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([O-])C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)CC1CC1 ZINC000236420743 949896854 /nfs/dbraw/zinc/89/68/54/949896854.db2.gz GERVJGPOXOYBLM-UHFFFAOYSA-N 0 1 343.177 2.654 20 5 EFBDMN CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000707972086 954989556 /nfs/dbraw/zinc/98/95/56/954989556.db2.gz LQGGZFQHXOFGHU-QMMMGPOBSA-N 0 1 331.166 2.652 20 5 EFBDMN O=C([O-])C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC1CC1 ZINC000844937858 955684388 /nfs/dbraw/zinc/68/43/88/955684388.db2.gz YNTHGUGZNDKPBP-UHFFFAOYSA-N 0 1 343.177 2.654 20 5 EFBDMN C[C@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000923249836 957105950 /nfs/dbraw/zinc/10/59/50/957105950.db2.gz YASVJVYVYARGSC-MRVPVSSYSA-N 0 1 331.166 2.510 20 5 EFBDMN C[C@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000923249836 957105953 /nfs/dbraw/zinc/10/59/53/957105953.db2.gz YASVJVYVYARGSC-MRVPVSSYSA-N 0 1 331.166 2.510 20 5 EFBDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000158810675 959100644 /nfs/dbraw/zinc/10/06/44/959100644.db2.gz XGYXGTGKKZUTBX-UHFFFAOYSA-N 0 1 331.166 2.654 20 5 EFBDMN C[C@H](C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000162334491 959209435 /nfs/dbraw/zinc/20/94/35/959209435.db2.gz WCTHNASEPIOARS-MRVPVSSYSA-N 0 1 331.166 2.510 20 5 EFBDMN C[C@@H](C[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000235091345 960385556 /nfs/dbraw/zinc/38/55/56/960385556.db2.gz FDXNWXQNYFUAMT-QMMMGPOBSA-N 0 1 331.166 2.510 20 5 EFBDMN C[C@@H](C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000235091345 960385565 /nfs/dbraw/zinc/38/55/65/960385565.db2.gz FDXNWXQNYFUAMT-QMMMGPOBSA-N 0 1 331.166 2.510 20 5 EFBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001573822709 960979818 /nfs/dbraw/zinc/97/98/18/960979818.db2.gz ROBDMOVWAMSONU-INIZCTEOSA-N 0 1 332.360 2.548 20 5 EFBDMN O=C([O-])CCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001606172063 973421168 /nfs/dbraw/zinc/42/11/68/973421168.db2.gz RTDVBIQDWUNLGN-UHFFFAOYSA-N 0 1 343.177 2.580 20 5 EFBDMN O=C([O-])CCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001606172063 973421173 /nfs/dbraw/zinc/42/11/73/973421173.db2.gz RTDVBIQDWUNLGN-UHFFFAOYSA-N 0 1 343.177 2.580 20 5 EFBDMN COc1cc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001604709498 973912066 /nfs/dbraw/zinc/91/20/66/973912066.db2.gz SFWQDRKAGXPXSA-GFCCVEGCSA-N 0 1 340.351 2.962 20 5 EFBDMN O=C([O-])C[N@@H+](CCc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000738607395 978572803 /nfs/dbraw/zinc/57/28/03/978572803.db2.gz NFVYJPWNXMNZQM-UHFFFAOYSA-N 0 1 332.331 2.863 20 5 EFBDMN O=C([O-])Cc1ccc(N2CCC[N@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000844209366 979361873 /nfs/dbraw/zinc/36/18/73/979361873.db2.gz RMIPXAVUNWYYFC-UHFFFAOYSA-N 0 1 347.415 2.677 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000901676004 980438638 /nfs/dbraw/zinc/43/86/38/980438638.db2.gz BXEOEBARYYNFRC-CQSZACIVSA-N 0 1 336.388 2.667 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC000901886809 980599740 /nfs/dbraw/zinc/59/97/40/980599740.db2.gz AZTKEPMJCUJNKC-WEKMIXOTSA-N 0 1 336.413 2.748 20 5 EFBDMN O=C([O-])c1ccc2c(c1)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000903619161 980997259 /nfs/dbraw/zinc/99/72/59/980997259.db2.gz UFIRPIMTJVPPTE-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001591088076 991617145 /nfs/dbraw/zinc/61/71/45/991617145.db2.gz XHFOZIQGPTVHAA-CQSZACIVSA-N 0 1 336.388 2.926 20 5 EFBDMN CN(C)c1cccc(C[N@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001598526360 992725059 /nfs/dbraw/zinc/72/50/59/992725059.db2.gz YSOREVHGTOOPHI-UHFFFAOYSA-N 0 1 343.383 2.991 20 5 EFBDMN CN(C)c1cccc(C[N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001598526360 992725068 /nfs/dbraw/zinc/72/50/68/992725068.db2.gz YSOREVHGTOOPHI-UHFFFAOYSA-N 0 1 343.383 2.991 20 5 EFBDMN CC(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001591622560 992889135 /nfs/dbraw/zinc/88/91/35/992889135.db2.gz FGYZZMHOOFXSHJ-SECBINFHSA-N 0 1 327.768 2.841 20 5 EFBDMN CN1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001598619692 993979442 /nfs/dbraw/zinc/97/94/42/993979442.db2.gz PXDFUWQXFSVLKE-UHFFFAOYSA-N 0 1 341.367 2.745 20 5 EFBDMN CN1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001598619692 993979457 /nfs/dbraw/zinc/97/94/57/993979457.db2.gz PXDFUWQXFSVLKE-UHFFFAOYSA-N 0 1 341.367 2.745 20 5 EFBDMN C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598630388 994164295 /nfs/dbraw/zinc/16/42/95/994164295.db2.gz GXKGNTRIBDZQLE-HNNXBMFYSA-N 0 1 327.340 2.892 20 5 EFBDMN C[C@]([NH2+]Cc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593305020 994758453 /nfs/dbraw/zinc/75/84/53/994758453.db2.gz TZIQXDOKQXZHHM-MRXNPFEDSA-N 0 1 345.311 2.593 20 5 EFBDMN C[C@]([NH2+]Cc1cccnc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593305185 994759528 /nfs/dbraw/zinc/75/95/28/994759528.db2.gz UMQOYFLMOUMSPI-OAHLLOKOSA-N 0 1 335.747 2.733 20 5 EFBDMN C[C@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001593373688 995068341 /nfs/dbraw/zinc/06/83/41/995068341.db2.gz HHMKKYLFMZQOCX-NWDGAFQWSA-N 0 1 348.403 2.753 20 5 EFBDMN C[C@H](Oc1ccccc1C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001593649759 996004695 /nfs/dbraw/zinc/00/46/95/996004695.db2.gz YAIOQHSNUYVXEG-LBPRGKRZSA-N 0 1 330.340 2.737 20 5 EFBDMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC001593779371 996489334 /nfs/dbraw/zinc/48/93/34/996489334.db2.gz YJISWRHRMJTLKN-KRWDZBQOSA-N 0 1 344.371 2.603 20 5 EFBDMN COc1ccccc1C[C@](C)(CO)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000931602495 1126136263 /nfs/dbraw/zinc/13/62/63/1126136263.db2.gz FKZQLCSLPAHCPQ-GOSISDBHSA-N 0 1 348.374 2.826 20 5 EFBDMN COc1ccc([C@H](C)NC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)cc1 ZINC001579193936 1090542348 /nfs/dbraw/zinc/54/23/48/1090542348.db2.gz YDIWXZDLYCGSGA-KPZWWZAWSA-N 0 1 343.383 2.655 20 5 EFBDMN Cc1ccccc1[C@@H](N)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001579792814 1090688373 /nfs/dbraw/zinc/68/83/73/1090688373.db2.gz CFEZUXNUAFYZCF-MRXNPFEDSA-N 0 1 347.802 2.915 20 5 EFBDMN N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001580133971 1090785613 /nfs/dbraw/zinc/78/56/13/1090785613.db2.gz DZJYJLCBDFCAIZ-CQSZACIVSA-N 0 1 342.330 2.724 20 5 EFBDMN CC(C)(C)[C@H]1CCC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589104069 1093031288 /nfs/dbraw/zinc/03/12/88/1093031288.db2.gz YPOKRUUXEAEKGK-CQSZACIVSA-N 0 1 330.392 2.785 20 5 EFBDMN CCC[N@H+](CC)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590622412 1093520107 /nfs/dbraw/zinc/52/01/07/1093520107.db2.gz WZTQKBSKIRBULZ-LBPRGKRZSA-N 0 1 347.423 2.616 20 5 EFBDMN CCC[N@@H+](CC)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590622412 1093520114 /nfs/dbraw/zinc/52/01/14/1093520114.db2.gz WZTQKBSKIRBULZ-LBPRGKRZSA-N 0 1 347.423 2.616 20 5 EFBDMN CCC[N@H+](CC)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590622412 1093520119 /nfs/dbraw/zinc/52/01/19/1093520119.db2.gz WZTQKBSKIRBULZ-LBPRGKRZSA-N 0 1 347.423 2.616 20 5 EFBDMN CCC[N@@H+](CC)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590622412 1093520125 /nfs/dbraw/zinc/52/01/25/1093520125.db2.gz WZTQKBSKIRBULZ-LBPRGKRZSA-N 0 1 347.423 2.616 20 5 EFBDMN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nnn[n-]2)s1 ZINC001591122598 1093665294 /nfs/dbraw/zinc/66/52/94/1093665294.db2.gz XPBAUWBNOGKJGC-UHFFFAOYSA-N 0 1 344.400 2.511 20 5 EFBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nnn[n-]2)s1 ZINC001591122598 1093665296 /nfs/dbraw/zinc/66/52/96/1093665296.db2.gz XPBAUWBNOGKJGC-UHFFFAOYSA-N 0 1 344.400 2.511 20 5 EFBDMN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nn[n-]n2)s1 ZINC001591122598 1093665298 /nfs/dbraw/zinc/66/52/98/1093665298.db2.gz XPBAUWBNOGKJGC-UHFFFAOYSA-N 0 1 344.400 2.511 20 5 EFBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nn[n-]n2)s1 ZINC001591122598 1093665300 /nfs/dbraw/zinc/66/53/00/1093665300.db2.gz XPBAUWBNOGKJGC-UHFFFAOYSA-N 0 1 344.400 2.511 20 5 EFBDMN Cc1cc(C)c([C@@H](C)n2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)c(C)c1 ZINC001591948040 1093928811 /nfs/dbraw/zinc/92/88/11/1093928811.db2.gz XZOBDSRPOOCJEK-LLVKDONJSA-N 0 1 327.348 2.506 20 5 EFBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001591974862 1093942499 /nfs/dbraw/zinc/94/24/99/1093942499.db2.gz YWVCWCFTICOKHU-UHFFFAOYSA-N 0 1 349.690 2.549 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC001600106439 1094773701 /nfs/dbraw/zinc/77/37/01/1094773701.db2.gz CHRNGJWBKVMSEZ-LBPRGKRZSA-N 0 1 348.403 2.815 20 5 EFBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000780385539 1094789891 /nfs/dbraw/zinc/78/98/91/1094789891.db2.gz QMELYDPPMZUWKG-VIFPVBQESA-N 0 1 331.284 2.700 20 5 EFBDMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001600374272 1095013821 /nfs/dbraw/zinc/01/38/21/1095013821.db2.gz WQSOHESERHIKQU-SNVBAGLBSA-N 0 1 345.355 2.771 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC001600488535 1095103519 /nfs/dbraw/zinc/10/35/19/1095103519.db2.gz VTRZEGIYFDWSPC-GFCCVEGCSA-N 0 1 349.387 2.559 20 5 EFBDMN Cc1cccc(NCCNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])[nH+]1 ZINC001600542464 1095148970 /nfs/dbraw/zinc/14/89/70/1095148970.db2.gz PNVPNTPEKPHSNM-UHFFFAOYSA-N 0 1 330.344 2.829 20 5 EFBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001601727198 1095867375 /nfs/dbraw/zinc/86/73/75/1095867375.db2.gz GDEDURMRQKKLOX-SFHVURJKSA-N 0 1 344.342 2.962 20 5 EFBDMN O=C([O-])[C@H]1[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1(F)F ZINC001601748744 1095885647 /nfs/dbraw/zinc/88/56/47/1095885647.db2.gz IRKMODAWGGEQJG-CHWSQXEVSA-N 0 1 326.299 2.525 20 5 EFBDMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601757751 1095891695 /nfs/dbraw/zinc/89/16/95/1095891695.db2.gz ZHWPTZHOMKOGIN-YACGNSKGSA-N 0 1 326.299 2.558 20 5 EFBDMN O=C([O-])Cc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001602126440 1096078560 /nfs/dbraw/zinc/07/85/60/1096078560.db2.gz FDHPZWRSNXVBPU-ZFWWWQNUSA-N 0 1 333.388 2.651 20 5 EFBDMN O=C([O-])[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001602219690 1096124104 /nfs/dbraw/zinc/12/41/04/1096124104.db2.gz UMSLYCVNUZTSQQ-NWDGAFQWSA-N 0 1 346.305 2.722 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC001602403657 1096223664 /nfs/dbraw/zinc/22/36/64/1096223664.db2.gz LBUFWMAREKXSTC-OIISXLGYSA-N 0 1 348.399 2.809 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+](CCCO)Cc2ccccc2)c1 ZINC001602404733 1096223842 /nfs/dbraw/zinc/22/38/42/1096223842.db2.gz DDDVVSHATZGMII-UHFFFAOYSA-N 0 1 344.367 2.678 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+](CCCO)Cc2ccccc2)c1 ZINC001602404733 1096223846 /nfs/dbraw/zinc/22/38/46/1096223846.db2.gz DDDVVSHATZGMII-UHFFFAOYSA-N 0 1 344.367 2.678 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC001602404495 1096224290 /nfs/dbraw/zinc/22/42/90/1096224290.db2.gz ZVSUYLJAWAHPOS-UHFFFAOYSA-N 0 1 347.415 2.743 20 5 EFBDMN CC(C)(C)[N@H+]1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001603343945 1096509732 /nfs/dbraw/zinc/50/97/32/1096509732.db2.gz CLBIGTBQCCGTCU-VGVVRCBHSA-N 0 1 333.388 2.977 20 5 EFBDMN CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001603345288 1096510197 /nfs/dbraw/zinc/51/01/97/1096510197.db2.gz HLHMDRMFCKNMBJ-VUDGCMKMSA-N 0 1 333.388 2.977 20 5 EFBDMN C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001604786446 1096955393 /nfs/dbraw/zinc/95/53/93/1096955393.db2.gz SXORWILKIGBDJW-NXEZZACHSA-N 0 1 341.795 2.723 20 5 EFBDMN Cc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1-c1nn[nH]n1 ZINC001605660969 1097182234 /nfs/dbraw/zinc/18/22/34/1097182234.db2.gz KGPZZRNVGMHERX-LBPRGKRZSA-N 0 1 338.371 2.934 20 5 EFBDMN C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)CC(=O)[O-] ZINC001606174336 1097338304 /nfs/dbraw/zinc/33/83/04/1097338304.db2.gz HNWFNSCVYGXFER-UHFFFAOYSA-N 0 1 333.344 2.935 20 5 EFBDMN C[N@H+]1C[C@@H]2CC[C@H](Nc3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])[C@H]2C1 ZINC001606209019 1097351759 /nfs/dbraw/zinc/35/17/59/1097351759.db2.gz OYSYHSSRMQGSET-QWRKXWFKSA-N 0 1 339.779 2.699 20 5 EFBDMN O=[N+]([O-])c1cn(CCCc2cccc3ccccc32)nc1-c1nn[nH]n1 ZINC001607085511 1097510027 /nfs/dbraw/zinc/51/00/27/1097510027.db2.gz TXWRXPLKGRNACN-UHFFFAOYSA-N 0 1 349.354 2.757 20 5 EFBDMN COc1cc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607157356 1097546292 /nfs/dbraw/zinc/54/62/92/1097546292.db2.gz FSNIBIFGDKCQNT-GFCCVEGCSA-N 0 1 326.324 2.572 20 5 EFBDMN CSCC[C@H](C)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001607395735 1097617523 /nfs/dbraw/zinc/61/75/23/1097617523.db2.gz NVNUUYAMPPDVFL-NSHDSACASA-N 0 1 342.417 2.632 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC001607589084 1097667934 /nfs/dbraw/zinc/66/79/34/1097667934.db2.gz FLLKRWGJLNCDJD-AWEZNQCLSA-N 0 1 342.355 2.595 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC001607589084 1097667938 /nfs/dbraw/zinc/66/79/38/1097667938.db2.gz FLLKRWGJLNCDJD-AWEZNQCLSA-N 0 1 342.355 2.595 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001607709678 1097705516 /nfs/dbraw/zinc/70/55/16/1097705516.db2.gz NUYBQWWGJIPKAE-QGZVFWFLSA-N 0 1 326.352 2.915 20 5 EFBDMN Cc1[nH+]ccn1CCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001607989776 1097798039 /nfs/dbraw/zinc/79/80/39/1097798039.db2.gz UHKDFWICRIINEH-UHFFFAOYSA-N 0 1 338.751 2.954 20 5 EFBDMN O=C([O-])[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC001608550372 1097950136 /nfs/dbraw/zinc/95/01/36/1097950136.db2.gz LZIRMGWWDRMYSW-AWEZNQCLSA-N 0 1 336.731 2.869 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC001608634032 1097972080 /nfs/dbraw/zinc/97/20/80/1097972080.db2.gz QEKYCGDTEOSZKO-HZMVEIRTSA-N 0 1 348.399 2.594 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC001608758998 1098011512 /nfs/dbraw/zinc/01/15/12/1098011512.db2.gz QLZBLZGWWVZLGQ-AWEZNQCLSA-N 0 1 334.372 2.823 20 5 EFBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CCc2ccc(-c3nn[nH]n3)cc21 ZINC001609603533 1098396254 /nfs/dbraw/zinc/39/62/54/1098396254.db2.gz KZQRZFQTVVDZPW-OAHLLOKOSA-N 0 1 336.355 2.552 20 5 EFBDMN CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609698712 1098430999 /nfs/dbraw/zinc/43/09/99/1098430999.db2.gz QPGJKCZZBDYINW-UHFFFAOYSA-N 0 1 346.387 2.685 20 5 EFBDMN CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609698712 1098431003 /nfs/dbraw/zinc/43/10/03/1098431003.db2.gz QPGJKCZZBDYINW-UHFFFAOYSA-N 0 1 346.387 2.685 20 5 EFBDMN O=C([O-])[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1 ZINC001610720793 1098848851 /nfs/dbraw/zinc/84/88/51/1098848851.db2.gz TULFPQHPVAOVLB-CQSZACIVSA-N 0 1 336.731 2.869 20 5 EFBDMN C[C@H](Cn1cccn1)NCc1ccc([N+](=O)[O-])cc1Br ZINC000049075965 1100624257 /nfs/dbraw/zinc/62/42/57/1100624257.db2.gz DECAQVRKAHDLBI-SNVBAGLBSA-N 0 1 339.193 2.732 20 5 EFBDMN COC[C@@]1(C)CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000840103138 1100825031 /nfs/dbraw/zinc/82/50/31/1100825031.db2.gz AZACKQKTXARKFW-KRWDZBQOSA-N 0 1 330.388 2.774 20 5 EFBDMN Cc1nc([C@H](C)OC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n[nH]1 ZINC000840436412 1101073558 /nfs/dbraw/zinc/07/35/58/1101073558.db2.gz GVMCQAOIVBJFFE-LURJTMIESA-N 0 1 344.249 2.958 20 5 EFBDMN CN1CCN(c2ncccc2Nc2cccc([N+](=O)[O-])c2F)CC1 ZINC001210379016 1102532731 /nfs/dbraw/zinc/53/27/31/1102532731.db2.gz PYIDZMSOEBJAHF-UHFFFAOYSA-N 0 1 331.351 2.624 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(N(C)CCN(C(=O)c2ccn[nH]2)C(C)C)c1 ZINC001125400375 1102642259 /nfs/dbraw/zinc/64/22/59/1102642259.db2.gz WLCLUWTUCIHNHS-UHFFFAOYSA-N 0 1 345.403 2.613 20 5 EFBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000905984380 1103792780 /nfs/dbraw/zinc/79/27/80/1103792780.db2.gz LYAKHNVSEDGPEU-GRYCIOLGSA-N 0 1 337.445 2.870 20 5 EFBDMN CCOC(=O)C1CO[C@H](C)C1=Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001168158283 1104045578 /nfs/dbraw/zinc/04/55/78/1104045578.db2.gz LUADVYQPZGDWCI-SNVBAGLBSA-N 0 1 343.339 2.791 20 5 EFBDMN CN(C(=O)c1ccc(CN2CCCCC2)o1)c1ccc([N+](=O)[O-])nc1 ZINC000905027396 1108361569 /nfs/dbraw/zinc/36/15/69/1108361569.db2.gz VETMSIFXHKPJNX-UHFFFAOYSA-N 0 1 344.371 2.845 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](O)CC2(O)CCCCC2)c1 ZINC000905159199 1108435923 /nfs/dbraw/zinc/43/59/23/1108435923.db2.gz LAUAYIGCMKKQMZ-AWEZNQCLSA-N 0 1 342.823 2.784 20 5 EFBDMN CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)c1cc(C2CC2)[nH]n1 ZINC001106954866 1118701587 /nfs/dbraw/zinc/70/15/87/1118701587.db2.gz RNRNPZIHULAFEC-UHFFFAOYSA-N 0 1 343.387 2.770 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCCc3nc(C)sc32)c1[N+](=O)[O-] ZINC000188472389 529465033 /nfs/dbraw/zinc/46/50/33/529465033.db2.gz GLFQRMCDCMZVNB-NSHDSACASA-N 0 1 349.416 2.795 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)c1[N+](=O)[O-] ZINC000188436220 529465073 /nfs/dbraw/zinc/46/50/73/529465073.db2.gz UKIYZFWXTDWUKD-QMMMGPOBSA-N 0 1 337.405 2.787 20 5 EFBDMN Cc1ncsc1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172070360 282231422 /nfs/dbraw/zinc/23/14/22/282231422.db2.gz ICTJMNFJJAJDMD-UHFFFAOYSA-N 0 1 332.429 2.724 20 5 EFBDMN CN1C(=O)CCc2cc(CNCc3ccccc3[N+](=O)[O-])ccc21 ZINC000187128735 530043308 /nfs/dbraw/zinc/04/33/08/530043308.db2.gz GMFGLLXCZCUQQG-UHFFFAOYSA-N 0 1 325.368 2.794 20 5 EFBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000178687899 232377696 /nfs/dbraw/zinc/37/76/96/232377696.db2.gz KSFQQWYCVUKXDF-NXEZZACHSA-N 0 1 333.310 2.621 20 5 EFBDMN CCCNC(=O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102420007 219201750 /nfs/dbraw/zinc/20/17/50/219201750.db2.gz VWHRFIWWCMLYON-UHFFFAOYSA-N 0 1 333.413 2.939 20 5 EFBDMN CN1CCN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000025054845 202125815 /nfs/dbraw/zinc/12/58/15/202125815.db2.gz CWRQFXLMDBBQOX-UHFFFAOYSA-N 0 1 326.828 2.686 20 5 EFBDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1Br ZINC000038021985 202387494 /nfs/dbraw/zinc/38/74/94/202387494.db2.gz HETXCUYFFGSPBK-UHFFFAOYSA-N 0 1 331.166 2.654 20 5 EFBDMN COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339037820 291281465 /nfs/dbraw/zinc/28/14/65/291281465.db2.gz SCSVOODXISNBIS-MRXNPFEDSA-N 0 1 330.340 2.647 20 5 EFBDMN CC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000194653213 240168881 /nfs/dbraw/zinc/16/88/81/240168881.db2.gz IFWNYGYMGFKMDU-UHFFFAOYSA-N 0 1 334.353 2.907 20 5 EFBDMN COCCc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194667222 240170243 /nfs/dbraw/zinc/17/02/43/240170243.db2.gz MHMHMNBCSRTNQL-UHFFFAOYSA-N 0 1 336.369 2.585 20 5 EFBDMN Cn1ccc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c21 ZINC000194667676 240171430 /nfs/dbraw/zinc/17/14/30/240171430.db2.gz IWSYDNGYQHMHFF-UHFFFAOYSA-N 0 1 331.353 2.887 20 5 EFBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000360425329 242197020 /nfs/dbraw/zinc/19/70/20/242197020.db2.gz APCRZYQPTWKNSD-UHFFFAOYSA-N 0 1 340.295 2.761 20 5 EFBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899276 296105734 /nfs/dbraw/zinc/10/57/34/296105734.db2.gz UZQFLTHHKXTZKJ-OLZOCXBDSA-N 0 1 347.415 2.683 20 5 EFBDMN CN(C(=O)CN1CCSC2(CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000411872145 243009149 /nfs/dbraw/zinc/00/91/49/243009149.db2.gz UNFINOCWROSVJY-UHFFFAOYSA-N 0 1 349.456 2.919 20 5 EFBDMN CO[C@@](C)([C@@H](C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000411948607 243039282 /nfs/dbraw/zinc/03/92/82/243039282.db2.gz NQMSSOYTEBLULZ-DIFFPNOSSA-N 0 1 346.387 2.938 20 5 EFBDMN COC1([C@H](C)NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000412024076 243078654 /nfs/dbraw/zinc/07/86/54/243078654.db2.gz YJQSYMXZTVOOEO-NSHDSACASA-N 0 1 332.360 2.692 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412041207 243088838 /nfs/dbraw/zinc/08/88/38/243088838.db2.gz SQEOUIFRGSHPEH-OAHLLOKOSA-N 0 1 347.415 2.580 20 5 EFBDMN COC(=O)COc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1[N+](=O)[O-] ZINC000414510443 244203291 /nfs/dbraw/zinc/20/32/91/244203291.db2.gz HWZVQDCICULADN-CHWSQXEVSA-N 0 1 340.351 2.517 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CCOC1 ZINC000075105029 203300949 /nfs/dbraw/zinc/30/09/49/203300949.db2.gz UCNIGMZVYJKQCS-RYUDHWBXSA-N 0 1 332.360 2.674 20 5 EFBDMN Cn1c(=O)[nH]nc1SCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000418853993 245300127 /nfs/dbraw/zinc/30/01/27/245300127.db2.gz SUURVPAIBKZXSD-UHFFFAOYSA-N 0 1 334.279 2.740 20 5 EFBDMN COc1cc(CNC[C@@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101588358 204013017 /nfs/dbraw/zinc/01/30/17/204013017.db2.gz DBCUPOTXVIBPEU-CYBMUJFWSA-N 0 1 346.383 2.653 20 5 EFBDMN CCCO[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000108398998 204260980 /nfs/dbraw/zinc/26/09/80/204260980.db2.gz QUOWZLCRLGORLR-KRWDZBQOSA-N 0 1 349.431 2.839 20 5 EFBDMN O=[N+]([O-])c1cc(NS(=O)(=O)C[C@H]2CCCCO2)ccc1Cl ZINC000110096366 204303841 /nfs/dbraw/zinc/30/38/41/204303841.db2.gz AGAMICURMKHPQU-SNVBAGLBSA-N 0 1 334.781 2.559 20 5 EFBDMN O=C(CC[C@H]1CCCCO1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000111607081 204363945 /nfs/dbraw/zinc/36/39/45/204363945.db2.gz IEEHJDVLVOKZFE-CYBMUJFWSA-N 0 1 345.359 2.668 20 5 EFBDMN COc1ccc(NC(=O)[C@H](C)N2C[C@H](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419380483 245394716 /nfs/dbraw/zinc/39/47/16/245394716.db2.gz XRTUWGXCLKVVRY-LOWDOPEQSA-N 0 1 335.404 2.907 20 5 EFBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC3(CC2)OCCO3)c1 ZINC000126151569 205043550 /nfs/dbraw/zinc/04/35/50/205043550.db2.gz LHSCLQSTPKCQHJ-UHFFFAOYSA-N 0 1 344.314 2.535 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(Nc2cccc(N3CCC[NH+]=C3[O-])c2)n1 ZINC000127924682 205124261 /nfs/dbraw/zinc/12/42/61/205124261.db2.gz QHGIEMAJVOTCBX-UHFFFAOYSA-N 0 1 327.344 2.962 20 5 EFBDMN C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC(C)(C)O1 ZINC000128365082 205144987 /nfs/dbraw/zinc/14/49/87/205144987.db2.gz VHLJEJMADHYGTL-LLVKDONJSA-N 0 1 339.367 2.562 20 5 EFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246834420 205236519 /nfs/dbraw/zinc/23/65/19/205236519.db2.gz KGBRSIDTARCCIP-QWQRMKEZSA-N 0 1 347.415 2.549 20 5 EFBDMN COc1cc(CN(C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000129971811 205219156 /nfs/dbraw/zinc/21/91/56/205219156.db2.gz PGXNXNHQQCYQIM-LBPRGKRZSA-N 0 1 336.388 2.613 20 5 EFBDMN C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000264072706 246039368 /nfs/dbraw/zinc/03/93/68/246039368.db2.gz IHIBQLYCRXLEAP-UHFFFAOYSA-N 0 1 343.387 2.681 20 5 EFBDMN CC[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](CC)O1 ZINC000421963313 246187395 /nfs/dbraw/zinc/18/73/95/246187395.db2.gz WQSFPLXSUPOSBD-TXEJJXNPSA-N 0 1 332.360 2.501 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000264204249 246180002 /nfs/dbraw/zinc/18/00/02/246180002.db2.gz QDSRMVVHOXYTGA-CQSZACIVSA-N 0 1 328.372 2.864 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)C2CC(OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000422012039 246217400 /nfs/dbraw/zinc/21/74/00/246217400.db2.gz IEKMJIWGRWFIMU-UHFFFAOYSA-N 0 1 338.408 2.689 20 5 EFBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)cs1 ZINC000157685995 206151802 /nfs/dbraw/zinc/15/18/02/206151802.db2.gz WBFREJMODBGGOE-UHFFFAOYSA-N 0 1 345.222 2.747 20 5 EFBDMN C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000158243966 206180498 /nfs/dbraw/zinc/18/04/98/206180498.db2.gz KXVJHYXQOAKOMS-GWCFXTLKSA-N 0 1 345.321 2.799 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159535229 206250965 /nfs/dbraw/zinc/25/09/65/206250965.db2.gz DAQDRXDCTOWBAR-ZLDLUXBVSA-N 0 1 346.387 2.799 20 5 EFBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])CC1(O)CCC1 ZINC000425431527 247083881 /nfs/dbraw/zinc/08/38/81/247083881.db2.gz IEYLHHSWTMMCGI-UHFFFAOYSA-N 0 1 329.194 2.704 20 5 EFBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])CC(C)(C)CO ZINC000425469148 247096110 /nfs/dbraw/zinc/09/61/10/247096110.db2.gz DTYLOVMFTAQTGF-UHFFFAOYSA-N 0 1 331.210 2.808 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)[C@@H]1CCCC[C@H]1O ZINC000426248709 247253694 /nfs/dbraw/zinc/25/36/94/247253694.db2.gz NAYDIBFNNPOWFR-NILFDRSVSA-N 0 1 346.387 2.941 20 5 EFBDMN CC[C@H](O)[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266000057 248014012 /nfs/dbraw/zinc/01/40/12/248014012.db2.gz IXIUTUYNRVNCPC-CABCVRRESA-N 0 1 346.387 2.770 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCCC3(CCOCC3)C2)c2c(c1)COCO2 ZINC000266011028 248027532 /nfs/dbraw/zinc/02/75/32/248027532.db2.gz MCMLAIAQROGVLZ-UHFFFAOYSA-N 0 1 348.399 2.854 20 5 EFBDMN Cc1ccccc1OCCN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433858807 248096439 /nfs/dbraw/zinc/09/64/39/248096439.db2.gz PJIBXGKVFBZMRM-UHFFFAOYSA-N 0 1 346.387 2.901 20 5 EFBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC2(CCOCC2)C1 ZINC000266051957 248063469 /nfs/dbraw/zinc/06/34/69/248063469.db2.gz ZCEIOXMVASHTTI-AWEZNQCLSA-N 0 1 347.415 2.814 20 5 EFBDMN CN(C)C(=O)[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266506347 248335723 /nfs/dbraw/zinc/33/57/23/248335723.db2.gz WSFUILAEJDYFFV-KRWDZBQOSA-N 0 1 327.384 2.556 20 5 EFBDMN CC[C@H](CSC)N(C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000091097079 217966430 /nfs/dbraw/zinc/96/64/30/217966430.db2.gz QPACHVCRNBRLLK-LLVKDONJSA-N 0 1 341.433 2.615 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(F)c(C)c2)c1[N+](=O)[O-] ZINC000444425523 250300267 /nfs/dbraw/zinc/30/02/67/250300267.db2.gz SYTIHXNDAJCLJR-UHFFFAOYSA-N 0 1 334.351 2.990 20 5 EFBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000444888546 250362023 /nfs/dbraw/zinc/36/20/23/250362023.db2.gz WAVCDTBIEKFHPH-UHFFFAOYSA-N 0 1 345.403 2.957 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H](C2OCCO2)C1 ZINC000174841401 207063597 /nfs/dbraw/zinc/06/35/97/207063597.db2.gz HTAWUTPOUSSJEY-LLVKDONJSA-N 0 1 326.780 2.833 20 5 EFBDMN CCOCCCNC(=O)[C@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000267424110 251044823 /nfs/dbraw/zinc/04/48/23/251044823.db2.gz LCTQRDOTDFIJFC-BBRMVZONSA-N 0 1 337.420 2.567 20 5 EFBDMN CC[C@H](N[C@@H](C)C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000267445364 251063081 /nfs/dbraw/zinc/06/30/81/251063081.db2.gz PYESYUNBOHTNTN-CABZTGNLSA-N 0 1 333.310 2.703 20 5 EFBDMN Cc1ccc(CN[C@@H](C)C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000449579276 251071925 /nfs/dbraw/zinc/07/19/25/251071925.db2.gz ZJGCUFLYIUKWSF-HNNXBMFYSA-N 0 1 341.411 2.740 20 5 EFBDMN C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000267473356 251091107 /nfs/dbraw/zinc/09/11/07/251091107.db2.gz YPTFUYFUQWCUNC-ZDUSSCGKSA-N 0 1 348.424 2.990 20 5 EFBDMN COc1cccnc1CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449750565 251141492 /nfs/dbraw/zinc/14/14/92/251141492.db2.gz VNWZRSIPVOONHL-GFCCVEGCSA-N 0 1 344.371 2.505 20 5 EFBDMN COc1cccnc1CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449750566 251141618 /nfs/dbraw/zinc/14/16/18/251141618.db2.gz VNWZRSIPVOONHL-LBPRGKRZSA-N 0 1 344.371 2.505 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCS[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000176234452 207204974 /nfs/dbraw/zinc/20/49/74/207204974.db2.gz XFVSCZPLAKHRQR-NEPJUHHUSA-N 0 1 338.433 2.771 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1C[C@@H]2CCC[C@H]2C1 ZINC000450150476 251279079 /nfs/dbraw/zinc/27/90/79/251279079.db2.gz YWPDQLZRQFGTNZ-STQMWFEESA-N 0 1 326.356 2.857 20 5 EFBDMN C[C@H]1SCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000176248972 207207375 /nfs/dbraw/zinc/20/73/75/207207375.db2.gz NCHZRXPUXSLAQR-CZUORRHYSA-N 0 1 332.429 2.970 20 5 EFBDMN CN(CCNC(=O)c1csc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000177066963 207290229 /nfs/dbraw/zinc/29/02/29/207290229.db2.gz CPETZGZKCBAQEP-UHFFFAOYSA-N 0 1 337.376 2.657 20 5 EFBDMN O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000452592003 251915251 /nfs/dbraw/zinc/91/52/51/251915251.db2.gz PTBUSMBNVHMEHA-GFCCVEGCSA-N 0 1 338.726 2.992 20 5 EFBDMN C[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000268846407 252294561 /nfs/dbraw/zinc/29/45/61/252294561.db2.gz ODQILLUQEJOWCC-IINYFYTJSA-N 0 1 329.360 2.756 20 5 EFBDMN C[C@@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000268847429 252295235 /nfs/dbraw/zinc/29/52/35/252295235.db2.gz ODQILLUQEJOWCC-YGRLFVJLSA-N 0 1 329.360 2.756 20 5 EFBDMN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](N2CC=CC2)C1 ZINC000266265226 285083146 /nfs/dbraw/zinc/08/31/46/285083146.db2.gz QAUDMUKXBCYEOP-LBPRGKRZSA-N 0 1 338.205 2.808 20 5 EFBDMN CO[C@@H]1C[C@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000456635956 255652078 /nfs/dbraw/zinc/65/20/78/255652078.db2.gz NBHSKRLHQYHOKL-UONOGXRCSA-N 0 1 344.371 2.501 20 5 EFBDMN CC(C)(C)OCCCCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459510413 255889060 /nfs/dbraw/zinc/88/90/60/255889060.db2.gz OKIZVZYDUXJTMK-UHFFFAOYSA-N 0 1 336.436 2.707 20 5 EFBDMN C[C@@H](N[C@@H](C)C(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000341588071 141835411 /nfs/dbraw/zinc/83/54/11/141835411.db2.gz PVVKLIRKBKFQEA-CABCVRRESA-N 0 1 341.411 2.993 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344429225 142015316 /nfs/dbraw/zinc/01/53/16/142015316.db2.gz REUREEBKWHVYAZ-TXEJJXNPSA-N 0 1 337.445 2.871 20 5 EFBDMN O=C(NCc1ccc(-c2ccco2)cc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000344458942 142020686 /nfs/dbraw/zinc/02/06/86/142020686.db2.gz NRSZJKAHCTUPPW-UHFFFAOYSA-N 0 1 330.275 2.647 20 5 EFBDMN Cn1cc(CNCc2ccc(F)cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344918075 142097296 /nfs/dbraw/zinc/09/72/96/142097296.db2.gz LLCURNDMIGVONA-UHFFFAOYSA-N 0 1 341.346 2.819 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345907686 142116079 /nfs/dbraw/zinc/11/60/79/142116079.db2.gz OENCTROGRZMJEF-OLZOCXBDSA-N 0 1 337.445 2.628 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345907691 142116289 /nfs/dbraw/zinc/11/62/89/142116289.db2.gz OENCTROGRZMJEF-STQMWFEESA-N 0 1 337.445 2.628 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000345931597 142119658 /nfs/dbraw/zinc/11/96/58/142119658.db2.gz WZJCKIDKTUULPD-VXGBXAGGSA-N 0 1 337.445 2.871 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000345937063 142120564 /nfs/dbraw/zinc/12/05/64/142120564.db2.gz BMTUFHGPRLSIJP-STQMWFEESA-N 0 1 346.431 2.724 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C ZINC000345938406 142120650 /nfs/dbraw/zinc/12/06/50/142120650.db2.gz BXWSKZKDCCKEPY-NEPJUHHUSA-N 0 1 330.388 2.631 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345975095 142127145 /nfs/dbraw/zinc/12/71/45/142127145.db2.gz XVNALAUNHQNWLS-HUUCEWRRSA-N 0 1 348.447 2.728 20 5 EFBDMN COc1cc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000347555523 142235228 /nfs/dbraw/zinc/23/52/28/142235228.db2.gz KSGFOSMCVVVHCX-GFCCVEGCSA-N 0 1 344.371 2.596 20 5 EFBDMN COc1cc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347564487 142236506 /nfs/dbraw/zinc/23/65/06/142236506.db2.gz UXPXUIKMKCFDKN-NWDGAFQWSA-N 0 1 344.371 2.676 20 5 EFBDMN CCOc1cc(CN2CCC[C@@H](CCNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000347687120 142256699 /nfs/dbraw/zinc/25/66/99/142256699.db2.gz TUYAZLIQDLKODN-HNNXBMFYSA-N 0 1 349.431 2.732 20 5 EFBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3cnccc32)cc1 ZINC000347956137 142299702 /nfs/dbraw/zinc/29/97/02/142299702.db2.gz CIIXTGZKVBJIAO-UHFFFAOYSA-N 0 1 329.337 2.944 20 5 EFBDMN CCOCCN1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000349855195 142368259 /nfs/dbraw/zinc/36/82/59/142368259.db2.gz RUJHOECIAWSLHX-UHFFFAOYSA-N 0 1 335.448 2.872 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339758580 144840568 /nfs/dbraw/zinc/84/05/68/144840568.db2.gz MDXHFKQEXBENQF-HZPDHXFCSA-N 0 1 340.807 2.658 20 5 EFBDMN O=C([O-])[C@@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCSC1 ZINC000340690748 144917858 /nfs/dbraw/zinc/91/78/58/144917858.db2.gz MGIWHAGNZLVEQP-MRXNPFEDSA-N 0 1 348.380 2.905 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CCO)c1ccccc1 ZINC000341185752 145007768 /nfs/dbraw/zinc/00/77/68/145007768.db2.gz BCTSWVSOTIPZKN-HNNXBMFYSA-N 0 1 343.383 2.555 20 5 EFBDMN O=C(NCc1cc(-c2ccccc2)on1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000341236858 145018917 /nfs/dbraw/zinc/01/89/17/145018917.db2.gz QEQSTOVSVSQRMB-UHFFFAOYSA-N 0 1 339.307 2.885 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000342235126 145084898 /nfs/dbraw/zinc/08/48/98/145084898.db2.gz IOHUXANZKMEBCP-DZGCQCFKSA-N 0 1 330.388 2.586 20 5 EFBDMN COc1ccc(C[C@H](C)CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1 ZINC000342385490 145113716 /nfs/dbraw/zinc/11/37/16/145113716.db2.gz AXQMDJOREMKWCV-NSHDSACASA-N 0 1 346.387 2.586 20 5 EFBDMN CC(C)C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000342661074 145168239 /nfs/dbraw/zinc/16/82/39/145168239.db2.gz NGIBANWAOKAODA-CQSZACIVSA-N 0 1 331.416 2.852 20 5 EFBDMN C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000343763614 145288502 /nfs/dbraw/zinc/28/85/02/145288502.db2.gz GWTDYEYYTISNNY-SNVBAGLBSA-N 0 1 326.784 2.806 20 5 EFBDMN Cc1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n[nH]1 ZINC000343905117 145321582 /nfs/dbraw/zinc/32/15/82/145321582.db2.gz BIDNCSJEDGNOFO-VIFPVBQESA-N 0 1 342.334 2.817 20 5 EFBDMN CN(C)c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2[nH]1 ZINC000344134152 145376180 /nfs/dbraw/zinc/37/61/80/145376180.db2.gz PDNYBBNDZCDEMS-UHFFFAOYSA-N 0 1 343.318 2.929 20 5 EFBDMN CC(C)(C)CCN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344223718 145395941 /nfs/dbraw/zinc/39/59/41/145395941.db2.gz RBXXAQGMTMPXBA-UHFFFAOYSA-N 0 1 337.395 2.928 20 5 EFBDMN CCOc1ccc(C(=O)N2[C@H](C)CN(CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000344422551 145444498 /nfs/dbraw/zinc/44/44/98/145444498.db2.gz HIPJNOUNUPLXGF-CHWSQXEVSA-N 0 1 335.404 2.548 20 5 EFBDMN Cc1c(NC(=O)CCN2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000351202687 146115071 /nfs/dbraw/zinc/11/50/71/146115071.db2.gz MUAJYTKSHQBAOA-MRXNPFEDSA-N 0 1 335.404 2.589 20 5 EFBDMN CCOc1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000351487737 146129047 /nfs/dbraw/zinc/12/90/47/146129047.db2.gz SDYFSNKPZAYCOE-UHFFFAOYSA-N 0 1 340.339 2.800 20 5 EFBDMN CC(=O)N1CC[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000352844043 146331369 /nfs/dbraw/zinc/33/13/69/146331369.db2.gz ABEQLEMRWKRNDV-PKOBYXMFSA-N 0 1 339.395 2.895 20 5 EFBDMN Cc1ccc(C(=O)N2CC(N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000352871110 146336857 /nfs/dbraw/zinc/33/68/57/146336857.db2.gz ABZYGOICTLCVAS-UHFFFAOYSA-N 0 1 339.395 2.860 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCCC[C@@H]1C[C@H](C)O ZINC000352882555 146340030 /nfs/dbraw/zinc/34/00/30/146340030.db2.gz HVWSKVJZVSASET-LSDHHAIUSA-N 0 1 349.431 2.857 20 5 EFBDMN Cc1ccc(NCCCNC(=O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000353357395 146457730 /nfs/dbraw/zinc/45/77/30/146457730.db2.gz VQAPSABCRREOGK-UHFFFAOYSA-N 0 1 348.447 2.553 20 5 EFBDMN CCn1cc(CN(CCO)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cn1 ZINC000355536062 146988674 /nfs/dbraw/zinc/98/86/74/146988674.db2.gz UKOWMYPQOHMGQD-OQLLNIDSSA-N 0 1 344.415 2.709 20 5 EFBDMN COc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1F ZINC000355876024 147088759 /nfs/dbraw/zinc/08/87/59/147088759.db2.gz AEIIMBJXBFEAEG-UHFFFAOYSA-N 0 1 344.295 2.682 20 5 EFBDMN Cc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1F ZINC000355883839 147091084 /nfs/dbraw/zinc/09/10/84/147091084.db2.gz UENCMDNZYWYOTN-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356052295 147133869 /nfs/dbraw/zinc/13/38/69/147133869.db2.gz BHUFALMANAYMGU-ZDUSSCGKSA-N 0 1 335.404 2.685 20 5 EFBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000356081822 147141497 /nfs/dbraw/zinc/14/14/97/147141497.db2.gz OWQLEIFWYDALIB-VHSXEESVSA-N 0 1 326.784 2.805 20 5 EFBDMN C[C@H]1[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000356081815 147141935 /nfs/dbraw/zinc/14/19/35/147141935.db2.gz OWQLEIFWYDALIB-UWVGGRQHSA-N 0 1 326.784 2.805 20 5 EFBDMN O=C(NCc1ccc(OC(F)F)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356309356 147207724 /nfs/dbraw/zinc/20/77/24/147207724.db2.gz FUAMVXXEDOLMDK-UHFFFAOYSA-N 0 1 338.266 2.832 20 5 EFBDMN O=C(NCCc1ccc2ccccc2n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356331810 147214600 /nfs/dbraw/zinc/21/46/00/147214600.db2.gz DEKPKJJNNCWNMV-UHFFFAOYSA-N 0 1 337.335 2.821 20 5 EFBDMN CN(CCCOc1ccc(F)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356350373 147220409 /nfs/dbraw/zinc/22/04/09/147220409.db2.gz VKIDWVSMUJVNBL-UHFFFAOYSA-N 0 1 348.330 2.981 20 5 EFBDMN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356367188 147225572 /nfs/dbraw/zinc/22/55/72/147225572.db2.gz SUUJYNVGTAHLAL-SNVBAGLBSA-N 0 1 343.339 2.750 20 5 EFBDMN Cc1ccc(O[C@@H](C)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356603686 147288193 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EFBDMN O=C(N[C@H]1COc2ccc(Cl)cc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356807554 147341010 /nfs/dbraw/zinc/34/10/10/147341010.db2.gz WABDSERVVBTHIW-ZDUSSCGKSA-N 0 1 334.715 2.817 20 5 EFBDMN COc1cccc2c1CC[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356808707 147341969 /nfs/dbraw/zinc/34/19/69/147341969.db2.gz YUFZJOWZHULNDQ-HNNXBMFYSA-N 0 1 328.324 2.726 20 5 EFBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1C(=O)N(C)C ZINC000356834346 147348103 /nfs/dbraw/zinc/34/81/03/147348103.db2.gz SRDIVDKUCOCIQM-UHFFFAOYSA-N 0 1 343.339 2.563 20 5 EFBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359544827 148116900 /nfs/dbraw/zinc/11/69/00/148116900.db2.gz PXACAAPSIGWEEX-UHFFFAOYSA-N 0 1 346.293 2.722 20 5 EFBDMN Cc1noc2ncc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC000360230506 148305580 /nfs/dbraw/zinc/30/55/80/148305580.db2.gz LHOUDTKGBCFXED-UHFFFAOYSA-N 0 1 348.340 2.549 20 5 EFBDMN COc1c(C(=O)N=c2cc(-c3ccc(C)o3)[nH][nH]2)cccc1[N+](=O)[O-] ZINC000360319405 148329954 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O=[N+]([O-])c1ccc(-c2nc(CN[C@H]3CCO[C@@H]3C3CC3)co2)cc1 ZINC000368903390 150233065 /nfs/dbraw/zinc/23/30/65/150233065.db2.gz GJXDLPHJZNEHBZ-JKSUJKDBSA-N 0 1 329.356 2.907 20 5 EFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000368926304 150237617 /nfs/dbraw/zinc/23/76/17/150237617.db2.gz HBTYIJRFTKATRB-WQAKAFBOSA-N 0 1 345.182 2.559 20 5 EFBDMN Cc1ccc([C@@H](NCCn2ccc([N+](=O)[O-])n2)c2ccccn2)cc1 ZINC000369304109 150324721 /nfs/dbraw/zinc/32/47/21/150324721.db2.gz XTHZUHOIPLRVCW-GOSISDBHSA-N 0 1 337.383 2.874 20 5 EFBDMN CC(C)(C)c1csc(C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000373097402 151112478 /nfs/dbraw/zinc/11/24/78/151112478.db2.gz OMGAQTSKAPKTMR-VXGBXAGGSA-N 0 1 337.445 2.812 20 5 EFBDMN CC(C)c1ccc(C(=O)N2CCC(c3nc[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000373695665 151211310 /nfs/dbraw/zinc/21/13/10/151211310.db2.gz RGCGPMXZUFNTST-UHFFFAOYSA-N 0 1 343.387 2.856 20 5 EFBDMN COc1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000374137269 151289773 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EFBDMN C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000194682502 265380496 /nfs/dbraw/zinc/38/04/96/265380496.db2.gz HZWKWHKAYHFTRE-NSHDSACASA-N 0 1 337.335 2.927 20 5 EFBDMN CC(C)C[C@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000271993004 266117736 /nfs/dbraw/zinc/11/77/36/266117736.db2.gz RJNNSARHVHHFQU-AAEUAGOBSA-N 0 1 346.387 2.795 20 5 EFBDMN CC(C)C[C@@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000271993012 266117915 /nfs/dbraw/zinc/11/79/15/266117915.db2.gz RJNNSARHVHHFQU-WCQYABFASA-N 0 1 346.387 2.795 20 5 EFBDMN Cc1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)n[nH]1 ZINC000272151602 266170084 /nfs/dbraw/zinc/17/00/84/266170084.db2.gz WCQKYCZYNWTUEJ-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN COc1cc(CSc2cn[nH]n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272399192 266253084 /nfs/dbraw/zinc/25/30/84/266253084.db2.gz DVTBEDGQJSQHPZ-UHFFFAOYSA-N 0 1 346.315 2.658 20 5 EFBDMN C[C@@H]1C[C@@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272507665 266288133 /nfs/dbraw/zinc/28/81/33/266288133.db2.gz IHUCSHRSTIEBQL-KEYYUXOJSA-N 0 1 344.415 2.822 20 5 EFBDMN CC(C)N1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272567972 266310165 /nfs/dbraw/zinc/31/01/65/266310165.db2.gz QJKHRLNPUFPDKD-UHFFFAOYSA-N 0 1 341.358 2.629 20 5 EFBDMN CN1CC[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@H]2C1 ZINC000272579122 266314238 /nfs/dbraw/zinc/31/42/38/266314238.db2.gz GOCWKZPHDWLEGK-RISCZKNCSA-N 0 1 345.424 2.976 20 5 EFBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](c2ccccc2)CO1 ZINC000272718100 266362126 /nfs/dbraw/zinc/36/21/26/266362126.db2.gz ZFUZTUDGSYBMLF-PXAZEXFGSA-N 0 1 342.351 2.903 20 5 EFBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)CO1 ZINC000272718104 266362807 /nfs/dbraw/zinc/36/28/07/266362807.db2.gz ZFUZTUDGSYBMLF-SJKOYZFVSA-N 0 1 342.351 2.903 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](COc2ccccc2)C1 ZINC000272881996 266407581 /nfs/dbraw/zinc/40/75/81/266407581.db2.gz ZHELLUUGSMJNOB-ZDUSSCGKSA-N 0 1 342.351 2.842 20 5 EFBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ncnn1C ZINC000276642130 267028285 /nfs/dbraw/zinc/02/82/85/267028285.db2.gz OZOPKKZYBBAWKU-NWDGAFQWSA-N 0 1 335.433 2.945 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])n[nH]1 ZINC000277140217 267120329 /nfs/dbraw/zinc/12/03/29/267120329.db2.gz DOTYAYBBRYJKSV-DTWKUNHWSA-N 0 1 333.352 2.504 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])n[nH]1 ZINC000277456832 267183318 /nfs/dbraw/zinc/18/33/18/267183318.db2.gz PYPBXPUCEUYCCD-ZJUUUORDSA-N 0 1 346.391 2.759 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCn3cccn3)cs2)c1 ZINC000113326239 273016372 /nfs/dbraw/zinc/01/63/72/273016372.db2.gz OKPBVMRRCXWYIX-UHFFFAOYSA-N 0 1 329.385 2.705 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000277835028 267275273 /nfs/dbraw/zinc/27/52/73/267275273.db2.gz MMCYSRUNFKBWAM-RKDXNWHRSA-N 0 1 335.339 2.857 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000277910164 267295978 /nfs/dbraw/zinc/29/59/78/267295978.db2.gz QUJXIEGETMNAKF-JQWIXIFHSA-N 0 1 345.403 2.955 20 5 EFBDMN CCC[C@]1(COC)CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000278084260 267337217 /nfs/dbraw/zinc/33/72/17/267337217.db2.gz OIUUTSYAHPAENG-MRXNPFEDSA-N 0 1 338.408 2.863 20 5 EFBDMN CCCCc1nnc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1 ZINC000269486724 273081492 /nfs/dbraw/zinc/08/14/92/273081492.db2.gz WYYZLYJPEANYLU-UHFFFAOYSA-N 0 1 338.393 2.888 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000269517436 273082978 /nfs/dbraw/zinc/08/29/78/273082978.db2.gz PVBMUHNWSWZFBC-UHFFFAOYSA-N 0 1 334.298 2.856 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCc3ccc(F)cc3C2)c1[N+](=O)[O-] ZINC000269534756 273084397 /nfs/dbraw/zinc/08/43/97/273084397.db2.gz JBVCOKRARQUETE-UHFFFAOYSA-N 0 1 332.335 2.779 20 5 EFBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1nncn1C ZINC000271138519 273101097 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MWJQBTIDIATBBO-HZPDHXFCSA-N 0 1 331.416 2.916 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279262325 273194789 /nfs/dbraw/zinc/19/47/89/273194789.db2.gz IIDVTHWQNMBNMP-CXAGYDPISA-N 0 1 347.415 2.731 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H](C(C)(C)C)C1 ZINC000279690765 273242494 /nfs/dbraw/zinc/24/24/94/273242494.db2.gz GCKCDLCFILZVTE-MRXNPFEDSA-N 0 1 349.431 2.979 20 5 EFBDMN C[C@H](O)C[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279810990 273256017 /nfs/dbraw/zinc/25/60/17/273256017.db2.gz PWFZPCRLOJWGIQ-SWLSCSKDSA-N 0 1 346.387 2.770 20 5 EFBDMN Cn1ccnc1[C@@H](NC[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000279837868 273259207 /nfs/dbraw/zinc/25/92/07/273259207.db2.gz NUMSWRIBOBIQRA-DOMZBBRYSA-N 0 1 332.429 2.760 20 5 EFBDMN C[C@]1(O)CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000279869690 273262830 /nfs/dbraw/zinc/26/28/30/273262830.db2.gz BZGWRTDORXMEKW-KRWDZBQOSA-N 0 1 331.372 2.987 20 5 EFBDMN C[C@H](O)C[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279978915 273277002 /nfs/dbraw/zinc/27/70/02/273277002.db2.gz ZIYFZLGOSZRVDQ-SWLSCSKDSA-N 0 1 346.387 2.770 20 5 EFBDMN CCOc1cc(N2CCN(C[C@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000280205408 273302071 /nfs/dbraw/zinc/30/20/71/273302071.db2.gz JIWMXCWSLBHWQS-MRXNPFEDSA-N 0 1 349.431 2.685 20 5 EFBDMN Cc1cc(N2CCO[C@]3(CCO[C@H]3C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000280559681 273341058 /nfs/dbraw/zinc/34/10/58/273341058.db2.gz UPTPQBWNUAVVTC-SCLBCKFNSA-N 0 1 343.383 2.836 20 5 EFBDMN CCC(=O)c1ccc(N2CCC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000280657654 273352028 /nfs/dbraw/zinc/35/20/28/273352028.db2.gz GHUONKVDNYWLPK-CYBMUJFWSA-N 0 1 343.387 2.998 20 5 EFBDMN CCC(=O)c1ccc(N2CCC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000280657654 273352029 /nfs/dbraw/zinc/35/20/29/273352029.db2.gz GHUONKVDNYWLPK-CYBMUJFWSA-N 0 1 343.387 2.998 20 5 EFBDMN C[S@](=O)C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000280706507 273357931 /nfs/dbraw/zinc/35/79/31/273357931.db2.gz SZWTYRBNBVTOJL-QHCPKHFHSA-N 0 1 348.371 2.587 20 5 EFBDMN CC[C@H](NCC1(S(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000280843216 273372888 /nfs/dbraw/zinc/37/28/88/273372888.db2.gz AWFNYPVQUYLQGS-AWEZNQCLSA-N 0 1 326.418 2.603 20 5 EFBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(CCOCC2)CC1 ZINC000284780587 273886825 /nfs/dbraw/zinc/88/68/25/273886825.db2.gz NWBIYSFCEKNPKI-AWEZNQCLSA-N 0 1 347.415 2.814 20 5 EFBDMN CN(CCCN(C)C(=O)c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000285714752 274059147 /nfs/dbraw/zinc/05/91/47/274059147.db2.gz HFRZAZFLHQUGHR-UHFFFAOYSA-N 0 1 331.372 2.782 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)c1[N+](=O)[O-] ZINC000286046292 274122956 /nfs/dbraw/zinc/12/29/56/274122956.db2.gz QBXHEGDFGSYWPZ-LLVKDONJSA-N 0 1 332.364 2.532 20 5 EFBDMN Cc1cnc(NC2CCN(Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000286148147 274142925 /nfs/dbraw/zinc/14/29/25/274142925.db2.gz AJAHJAYCSZZVRF-UHFFFAOYSA-N 0 1 327.388 2.770 20 5 EFBDMN COc1ccnc(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000424314263 274163698 /nfs/dbraw/zinc/16/36/98/274163698.db2.gz ZUOAHWRXHPRAPP-HIFRSBDPSA-N 0 1 342.399 2.894 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)c1n[nH]c(C)n1 ZINC000286329608 274179430 /nfs/dbraw/zinc/17/94/30/274179430.db2.gz JBODVRSNUXXFHI-LURJTMIESA-N 0 1 339.739 2.634 20 5 EFBDMN Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000286434534 274200644 /nfs/dbraw/zinc/20/06/44/274200644.db2.gz QUURYWYBXKWDQE-LURJTMIESA-N 0 1 343.265 2.531 20 5 EFBDMN C[N@H+]1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000286831803 274282175 /nfs/dbraw/zinc/28/21/75/274282175.db2.gz YGNOQEIAYNERBP-MRXNPFEDSA-N 0 1 326.400 2.540 20 5 EFBDMN CN1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000286831803 274282177 /nfs/dbraw/zinc/28/21/77/274282177.db2.gz YGNOQEIAYNERBP-MRXNPFEDSA-N 0 1 326.400 2.540 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@](F)(CO)C3)o2)c1 ZINC000287171598 274359638 /nfs/dbraw/zinc/35/96/38/274359638.db2.gz ZPVPHEJGPHKKEF-QGZVFWFLSA-N 0 1 349.362 2.589 20 5 EFBDMN C[C@H](NCc1cccnc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173314047 274517210 /nfs/dbraw/zinc/51/72/10/274517210.db2.gz UQKAJEPAQQRHBW-AWEZNQCLSA-N 0 1 342.399 2.677 20 5 EFBDMN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(C2CCC2)CC1 ZINC000289662291 274799690 /nfs/dbraw/zinc/79/96/90/274799690.db2.gz MGNMJHYBLNPSKO-UHFFFAOYSA-N 0 1 338.795 2.950 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CCCCS1(=O)=O)CCC2 ZINC000447600046 275038289 /nfs/dbraw/zinc/03/82/89/275038289.db2.gz LNVGMEYCLMBQAQ-GDBMZVCRSA-N 0 1 338.429 2.529 20 5 EFBDMN O=[N+]([O-])c1ccccc1CN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340273663 275040130 /nfs/dbraw/zinc/04/01/30/275040130.db2.gz AKFYEEQQBLUBSW-HNNXBMFYSA-N 0 1 327.319 2.731 20 5 EFBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@@H]1CCc2[nH]cnc2C1 ZINC000377328592 275040647 /nfs/dbraw/zinc/04/06/47/275040647.db2.gz CANPAJNVCQDJFI-SSDOTTSWSA-N 0 1 327.266 2.701 20 5 EFBDMN CCC[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCN1CCOC ZINC000346677102 276049727 /nfs/dbraw/zinc/04/97/27/276049727.db2.gz VEGQSDFISYDULA-ZDUSSCGKSA-N 0 1 342.827 2.580 20 5 EFBDMN COCCCNC(=O)C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266528447 277207968 /nfs/dbraw/zinc/20/79/68/277207968.db2.gz LJDWMXMHFHFKRM-AWEZNQCLSA-N 0 1 349.431 2.521 20 5 EFBDMN CC(C)c1ccc(CN2CCC3(CNC(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000371332316 278035698 /nfs/dbraw/zinc/03/56/98/278035698.db2.gz OJTZRADGHJMTCX-UHFFFAOYSA-N 0 1 331.416 2.820 20 5 EFBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CCOCC2)[C@H]1C ZINC000363793140 278215624 /nfs/dbraw/zinc/21/56/24/278215624.db2.gz HFTCZICICXXJHJ-UONOGXRCSA-N 0 1 347.415 2.813 20 5 EFBDMN CCN(CC(C)(C)O)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000158162512 279062953 /nfs/dbraw/zinc/06/29/53/279062953.db2.gz QPJLTRBBOGSDQA-SNVBAGLBSA-N 0 1 343.811 2.668 20 5 EFBDMN C[C@@]12CCCN1C[C@H](c1noc(-c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000347328612 279179307 /nfs/dbraw/zinc/17/93/07/279179307.db2.gz BTBVEIWMNIEFLB-CJNGLKHVSA-N 0 1 330.344 2.571 20 5 EFBDMN C[C@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc([N+](=O)[O-])cc1 ZINC000349693256 279491472 /nfs/dbraw/zinc/49/14/72/279491472.db2.gz MORAVBKHBBKUQW-LBPRGKRZSA-N 0 1 325.368 2.732 20 5 EFBDMN CCc1ccc([C@@H]2CNCCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000261711291 281417560 /nfs/dbraw/zinc/41/75/60/281417560.db2.gz KMLBNEOPYCJLIE-SFHVURJKSA-N 0 1 339.395 2.944 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CCN(c3cccc(O)c3)CC2)cc1 ZINC000128391074 293102162 /nfs/dbraw/zinc/10/21/62/293102162.db2.gz FGLWKCFKXHFRMF-UHFFFAOYSA-N 0 1 343.383 2.501 20 5 EFBDMN O=[N+]([O-])c1cccc(CN(C[C@H](O)COc2ccccc2)C2CC2)c1 ZINC000153317085 293370548 /nfs/dbraw/zinc/37/05/48/293370548.db2.gz YSTRSGCUTDZMKQ-SFHVURJKSA-N 0 1 342.395 2.999 20 5 EFBDMN O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000153719017 293390121 /nfs/dbraw/zinc/39/01/21/293390121.db2.gz CEIFZXZCKOMEML-HNNXBMFYSA-N 0 1 340.314 2.976 20 5 EFBDMN O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000153719120 293390208 /nfs/dbraw/zinc/39/02/08/293390208.db2.gz CEIFZXZCKOMEML-OAHLLOKOSA-N 0 1 340.314 2.976 20 5 EFBDMN COC(=O)c1cc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000153906343 293400811 /nfs/dbraw/zinc/40/08/11/293400811.db2.gz MXUNFTCJRQASLC-SRVKXCTJSA-N 0 1 349.387 2.581 20 5 EFBDMN C[C@@H](C[S@](C)=O)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290845426 294201270 /nfs/dbraw/zinc/20/12/70/294201270.db2.gz JHCRJDMBLPCJOB-IIYDVTGLSA-N 0 1 325.217 2.758 20 5 EFBDMN Cc1nnc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH]1 ZINC000290931345 294223457 /nfs/dbraw/zinc/22/34/57/294223457.db2.gz SAIODBZRCVLXMJ-UHFFFAOYSA-N 0 1 330.175 2.660 20 5 EFBDMN CCN(C[C@@H](C)OC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000291366250 294360315 /nfs/dbraw/zinc/36/03/15/294360315.db2.gz ZJARRHRPMIYOBP-GHMZBOCLSA-N 0 1 343.811 2.932 20 5 EFBDMN CC(C)S(=O)(=O)CCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292147840 294594659 /nfs/dbraw/zinc/59/46/59/294594659.db2.gz NDTAIOLDHQEZBQ-UHFFFAOYSA-N 0 1 328.434 2.633 20 5 EFBDMN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000293733301 295037716 /nfs/dbraw/zinc/03/77/16/295037716.db2.gz MZPRZSPIOITCTG-CHWSQXEVSA-N 0 1 342.399 2.533 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2c(F)cccc2F)c1[N+](=O)[O-] ZINC000293880989 295070757 /nfs/dbraw/zinc/07/07/57/295070757.db2.gz BQQFJFJLTVXPNS-UHFFFAOYSA-N 0 1 338.314 2.992 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)Cc2c(F)cccc2F)c1[N+](=O)[O-] ZINC000294224611 295131286 /nfs/dbraw/zinc/13/12/86/295131286.db2.gz UOUWNLMXCHIEBA-UHFFFAOYSA-N 0 1 338.314 2.821 20 5 EFBDMN CC(C)(CCC(=O)NC[C@@H](c1ccco1)N1CCCCC1)[N+](=O)[O-] ZINC000294286331 295141628 /nfs/dbraw/zinc/14/16/28/295141628.db2.gz HRGZRAAOVRCASP-AWEZNQCLSA-N 0 1 337.420 2.758 20 5 EFBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000294474332 295173090 /nfs/dbraw/zinc/17/30/90/295173090.db2.gz BEKGBGQFVUAUKR-PSLIRLAXSA-N 0 1 348.380 2.794 20 5 EFBDMN CC[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H](C)O1 ZINC000294496475 295176077 /nfs/dbraw/zinc/17/60/77/295176077.db2.gz FIPJLOBBRCHFGP-FZMZJTMJSA-N 0 1 344.371 2.624 20 5 EFBDMN CCc1nc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000294966128 295252072 /nfs/dbraw/zinc/25/20/72/295252072.db2.gz NXXFJPCNXOSUKK-UHFFFAOYSA-N 0 1 339.359 2.653 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccccn1 ZINC000295117040 295269868 /nfs/dbraw/zinc/26/98/68/295269868.db2.gz IHINJOXQTHFLEL-UHFFFAOYSA-N 0 1 328.372 2.759 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccccn1 ZINC000295117040 295269870 /nfs/dbraw/zinc/26/98/70/295269870.db2.gz IHINJOXQTHFLEL-UHFFFAOYSA-N 0 1 328.372 2.759 20 5 EFBDMN C[C@@H]1CSCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000295193693 295280380 /nfs/dbraw/zinc/28/03/80/295280380.db2.gz RKVAZHGOZNIOAA-NSHDSACASA-N 0 1 346.412 2.810 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccccn1 ZINC000295229304 295285280 /nfs/dbraw/zinc/28/52/80/295285280.db2.gz WQETXYGCHBPSDZ-UHFFFAOYSA-N 0 1 328.372 2.759 20 5 EFBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CC(C)(C)CO ZINC000295233177 295285711 /nfs/dbraw/zinc/28/57/11/295285711.db2.gz ONZJWZKSTXOGJJ-JTQLQIEISA-N 0 1 343.811 2.526 20 5 EFBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC(C)(C)CO ZINC000295233177 295285712 /nfs/dbraw/zinc/28/57/12/295285712.db2.gz ONZJWZKSTXOGJJ-JTQLQIEISA-N 0 1 343.811 2.526 20 5 EFBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CC2)C1 ZINC000295339229 295303196 /nfs/dbraw/zinc/30/31/96/295303196.db2.gz MKZPFTILNFYHJP-LLVKDONJSA-N 0 1 337.807 2.805 20 5 EFBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CC2)C1 ZINC000295339235 295303299 /nfs/dbraw/zinc/30/32/99/295303299.db2.gz MKZPFTILNFYHJP-NSHDSACASA-N 0 1 337.807 2.805 20 5 EFBDMN CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295423670 295318211 /nfs/dbraw/zinc/31/82/11/295318211.db2.gz WBKWXEGOFUIIDG-WCQYABFASA-N 0 1 344.371 2.624 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000295912712 295395767 /nfs/dbraw/zinc/39/57/67/295395767.db2.gz DVOFKJULHFFQNH-UONOGXRCSA-N 0 1 349.431 2.713 20 5 EFBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000295912709 295395772 /nfs/dbraw/zinc/39/57/72/295395772.db2.gz DVOFKJULHFFQNH-KGLIPLIRSA-N 0 1 349.431 2.713 20 5 EFBDMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436636460 297357514 /nfs/dbraw/zinc/35/75/14/297357514.db2.gz YLCAJTRWBBVHPV-BETUJISGSA-N 0 1 349.431 2.787 20 5 EFBDMN CCO[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@@H]1SC ZINC000298221386 310968901 /nfs/dbraw/zinc/96/89/01/310968901.db2.gz AKYYTSIHGBSBGK-CFVMTHIKSA-N 0 1 326.418 2.602 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000299001877 311041012 /nfs/dbraw/zinc/04/10/12/311041012.db2.gz OYYSYQUQNMCGOL-GFCCVEGCSA-N 0 1 337.376 2.828 20 5 EFBDMN CC[C@H]1CO[C@@H](C)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000299231060 311063776 /nfs/dbraw/zinc/06/37/76/311063776.db2.gz PWFVHFPWHBDXQO-KBPBESRZSA-N 0 1 335.404 2.731 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCCc2occc21 ZINC000299414610 311082353 /nfs/dbraw/zinc/08/23/53/311082353.db2.gz QBMWCPUFLZWADA-LLVKDONJSA-N 0 1 340.332 2.683 20 5 EFBDMN COc1ccnc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000301171711 311122764 /nfs/dbraw/zinc/12/27/64/311122764.db2.gz FFGFHJYNRYOYPW-UHFFFAOYSA-N 0 1 348.790 2.978 20 5 EFBDMN CC(C)CN1CCO[C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301548201 311143835 /nfs/dbraw/zinc/14/38/35/311143835.db2.gz UNBLWCUUIXZRQY-MRXNPFEDSA-N 0 1 344.415 2.912 20 5 EFBDMN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(F)c1 ZINC000301858350 311162906 /nfs/dbraw/zinc/16/29/06/311162906.db2.gz CJPPQTINOWZGFD-HOTGVXAUSA-N 0 1 345.374 2.781 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CC=CC3)C2)c(OC(F)F)c1 ZINC000302160774 311181656 /nfs/dbraw/zinc/18/16/56/311181656.db2.gz PBBBBLGBAYHGNW-GFCCVEGCSA-N 0 1 325.315 2.647 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1NCc1n[nH]c(COc2ccccc2)n1 ZINC000302232014 311186579 /nfs/dbraw/zinc/18/65/79/311186579.db2.gz CJAURZGMELZPSQ-UHFFFAOYSA-N 0 1 340.343 2.607 20 5 EFBDMN Nc1nc(Nc2cnn(-c3ccc(Cl)cc3)c2)ncc1[N+](=O)[O-] ZINC000302435338 311189951 /nfs/dbraw/zinc/18/99/51/311189951.db2.gz QMESVSAHEASWQJ-UHFFFAOYSA-N 0 1 331.723 2.550 20 5 EFBDMN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C)C1 ZINC000302782088 311200744 /nfs/dbraw/zinc/20/07/44/311200744.db2.gz SFERYBUIEQOEMN-MNOVXSKESA-N 0 1 347.337 2.505 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H]([C@H](C)O)C1 ZINC000305653058 311223813 /nfs/dbraw/zinc/22/38/13/311223813.db2.gz OKPQTZHCRPUGOO-DYEKYZERSA-N 0 1 346.387 2.799 20 5 EFBDMN Cc1ccc(C(=O)N2CCNC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000313333812 311231833 /nfs/dbraw/zinc/23/18/33/311231833.db2.gz AMCSIGOGUYTZHC-QGZVFWFLSA-N 0 1 325.368 2.690 20 5 EFBDMN CC[C@@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000319177453 311237087 /nfs/dbraw/zinc/23/70/87/311237087.db2.gz JAFGOWLXNTZFBI-MNOVXSKESA-N 0 1 330.381 2.981 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000330630328 311325698 /nfs/dbraw/zinc/32/56/98/311325698.db2.gz OFDVERKTRQCLPD-UHFFFAOYSA-N 0 1 334.298 2.685 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC(C)(C)[C@H]1C ZINC000331045490 311350625 /nfs/dbraw/zinc/35/06/25/311350625.db2.gz HMDIDQZLNFOKRR-CYBMUJFWSA-N 0 1 335.404 2.731 20 5 EFBDMN C[C@@H](Cc1ccsc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000390189533 311950630 /nfs/dbraw/zinc/95/06/30/311950630.db2.gz SUVQXWRQUBNXNN-VIFPVBQESA-N 0 1 344.389 2.705 20 5 EFBDMN CCS(=O)(=O)C[C@H](C)N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309767 312207044 /nfs/dbraw/zinc/20/70/44/312207044.db2.gz KANJGFIBQDFCNZ-LRDDRELGSA-N 0 1 340.445 2.775 20 5 EFBDMN CCC[C@@H]1CNCCN1C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000417844006 312280081 /nfs/dbraw/zinc/28/00/81/312280081.db2.gz HHEFUZAFCMVRLW-HZPDHXFCSA-N 0 1 334.420 2.829 20 5 EFBDMN CC[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1cccc([N+](=O)[O-])c1 ZINC000417860889 312284600 /nfs/dbraw/zinc/28/46/00/312284600.db2.gz ZGHPEMDGWOZBGK-IJEWVQPXSA-N 0 1 332.404 2.582 20 5 EFBDMN Cc1cc(Cc2noc(C34CCCN3CCC4)n2)ccc1[N+](=O)[O-] ZINC000420489611 312371651 /nfs/dbraw/zinc/37/16/51/312371651.db2.gz YABOOFYKOKCOQI-UHFFFAOYSA-N 0 1 328.372 2.962 20 5 EFBDMN C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])CN1CCOCC1 ZINC000432311870 312555176 /nfs/dbraw/zinc/55/51/76/312555176.db2.gz FECWOITYUYEDPD-CYBMUJFWSA-N 0 1 330.388 2.523 20 5 EFBDMN CCOC(=O)c1cnc(C(C)=Cc2cc(O)ccc2[N+](=O)[O-])[nH]c1=O ZINC000432703131 312578322 /nfs/dbraw/zinc/57/83/22/312578322.db2.gz BOVCCWLEERLDRW-RMKNXTFCSA-N 0 1 345.311 2.533 20 5 EFBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cnc(C3CC3)o2)n1 ZINC000453354310 312891957 /nfs/dbraw/zinc/89/19/57/312891957.db2.gz LLIJARSHTADBOT-KBPBESRZSA-N 0 1 331.376 2.930 20 5 EFBDMN O=[N+]([O-])c1cccnc1N1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000453575016 312911012 /nfs/dbraw/zinc/91/10/12/312911012.db2.gz KCBMNANHRODHIF-DLBZAZTESA-N 0 1 338.411 2.916 20 5 EFBDMN CSc1ccc(C(=O)NCc2n[nH]c(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000458044110 313061490 /nfs/dbraw/zinc/06/14/90/313061490.db2.gz VDOADSMHOSVRQD-UHFFFAOYSA-N 0 1 349.416 2.662 20 5 EFBDMN CC[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000472339809 313187355 /nfs/dbraw/zinc/18/73/55/313187355.db2.gz UTQYZWRBFUMOKY-DLBZAZTESA-N 0 1 333.432 2.859 20 5 EFBDMN CC[C@H]1CCCC[N@H+]1CCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486951891 313351877 /nfs/dbraw/zinc/35/18/77/313351877.db2.gz VVSCCNFVQDYGHK-AWEZNQCLSA-N 0 1 345.403 2.743 20 5 EFBDMN Cc1ccoc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000490332755 313643578 /nfs/dbraw/zinc/64/35/78/313643578.db2.gz QOFNOLMEZXBTPB-UHFFFAOYSA-N 0 1 330.749 2.628 20 5 EFBDMN C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000492799584 314130027 /nfs/dbraw/zinc/13/00/27/314130027.db2.gz MUGJVSLOCWYOPV-KVPUOBJLSA-N 0 1 343.427 2.941 20 5 EFBDMN CCN(CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000492935845 314184528 /nfs/dbraw/zinc/18/45/28/314184528.db2.gz FVZXWTUJBWKDLB-UHFFFAOYSA-N 0 1 348.325 2.991 20 5 EFBDMN CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000496392867 315051034 /nfs/dbraw/zinc/05/10/34/315051034.db2.gz OTHAYHVIPYWYLK-BXKDBHETSA-N 0 1 339.323 2.776 20 5 EFBDMN Cc1oc2ccccc2c1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000547340229 317998002 /nfs/dbraw/zinc/99/80/02/317998002.db2.gz SKGUMHUUVIFXGE-UHFFFAOYSA-N 0 1 347.352 2.523 20 5 EFBDMN Cc1nc2cccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c2[nH]1 ZINC000549036491 318161910 /nfs/dbraw/zinc/16/19/10/318161910.db2.gz NQLZPZREZJISOH-UHFFFAOYSA-N 0 1 340.339 2.588 20 5 EFBDMN CC(F)(F)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000549514431 318175889 /nfs/dbraw/zinc/17/58/89/318175889.db2.gz KRZJYWHEVLBTAR-UHFFFAOYSA-N 0 1 348.249 2.547 20 5 EFBDMN CC(C)(O)CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000551969874 318231634 /nfs/dbraw/zinc/23/16/34/318231634.db2.gz MZSRJRFPDAVLTC-UHFFFAOYSA-N 0 1 344.358 2.625 20 5 EFBDMN CNc1c(C(=O)N2CCC(c3cn[nH]c3C)CC2)cccc1[N+](=O)[O-] ZINC000552765757 318263029 /nfs/dbraw/zinc/26/30/29/318263029.db2.gz PRCYMTIHIWKDFG-UHFFFAOYSA-N 0 1 343.387 2.688 20 5 EFBDMN Cc1cccc(CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000556140543 318380494 /nfs/dbraw/zinc/38/04/94/318380494.db2.gz ZEXPLFMGTKWCKP-UHFFFAOYSA-N 0 1 326.400 2.663 20 5 EFBDMN COc1cc([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)c(F)cn1 ZINC000562053110 318620365 /nfs/dbraw/zinc/62/03/65/318620365.db2.gz QBVRZXBVFRKRJI-NSHDSACASA-N 0 1 335.335 2.867 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000566367405 319067903 /nfs/dbraw/zinc/06/79/03/319067903.db2.gz DMTVBNQTFGUHNJ-SJKOYZFVSA-N 0 1 336.388 2.925 20 5 EFBDMN Cc1ccc2nc(CNc3ccc([N+](=O)[O-])c(OC(C)C)n3)[nH]c2c1 ZINC000566479878 319082332 /nfs/dbraw/zinc/08/23/32/319082332.db2.gz UMMANPACSRMDLX-UHFFFAOYSA-N 0 1 341.371 2.996 20 5 EFBDMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000566510549 319085881 /nfs/dbraw/zinc/08/58/81/319085881.db2.gz UWABQFGKHINZCS-QGZVFWFLSA-N 0 1 346.387 2.936 20 5 EFBDMN O=C1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CN1c1ccccc1 ZINC000566630363 319097167 /nfs/dbraw/zinc/09/71/67/319097167.db2.gz JUPXWZOQLPDOJQ-GUYCJALGSA-N 0 1 337.379 2.977 20 5 EFBDMN C[C@@H]1CCCC[N@H+]1CCCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567052405 319134284 /nfs/dbraw/zinc/13/42/84/319134284.db2.gz ZIFUJUFXULDFFF-GFCCVEGCSA-N 0 1 336.392 2.755 20 5 EFBDMN C[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000567505228 319179000 /nfs/dbraw/zinc/17/90/00/319179000.db2.gz REHMQMYKLQMJFU-CHWSQXEVSA-N 0 1 335.404 2.754 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)OC2(CCC2)C1 ZINC000567810903 319213501 /nfs/dbraw/zinc/21/35/01/319213501.db2.gz LSRMVVBLCOBDIX-CQSZACIVSA-N 0 1 347.415 2.875 20 5 EFBDMN O=C([O-])[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000568064832 319242883 /nfs/dbraw/zinc/24/28/83/319242883.db2.gz SCZLLISSGBRJKR-VIFPVBQESA-N 0 1 332.278 2.910 20 5 EFBDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000568064832 319242884 /nfs/dbraw/zinc/24/28/84/319242884.db2.gz SCZLLISSGBRJKR-VIFPVBQESA-N 0 1 332.278 2.910 20 5 EFBDMN Cc1c(CNCc2ccc(-n3cncn3)c(F)c2)cccc1[N+](=O)[O-] ZINC000568580148 319295607 /nfs/dbraw/zinc/29/56/07/319295607.db2.gz CWMJDBROCPQKHR-UHFFFAOYSA-N 0 1 341.346 2.913 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)OC2(CCC2)C1 ZINC000569600626 319396456 /nfs/dbraw/zinc/39/64/56/319396456.db2.gz GSRGJXMIRPGHKG-CQSZACIVSA-N 0 1 347.415 2.875 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000577340655 320099701 /nfs/dbraw/zinc/09/97/01/320099701.db2.gz LIKGQTOPTNDQOC-QWRGUYRKSA-N 0 1 331.376 2.817 20 5 EFBDMN Cc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577377531 320105250 /nfs/dbraw/zinc/10/52/50/320105250.db2.gz NBYXTXWGGAITFO-NSHDSACASA-N 0 1 330.344 2.709 20 5 EFBDMN CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000577756239 320141755 /nfs/dbraw/zinc/14/17/55/320141755.db2.gz WFRPTAKPWRLGHA-ZDUSSCGKSA-N 0 1 335.404 2.770 20 5 EFBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(O)c(Cl)c1 ZINC000577783637 320143801 /nfs/dbraw/zinc/14/38/01/320143801.db2.gz CPHCAWGSRDQAMW-UHFFFAOYSA-N 0 1 336.731 2.763 20 5 EFBDMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000578779287 320239144 /nfs/dbraw/zinc/23/91/44/320239144.db2.gz OJQIJCYIAHRKHD-GOSISDBHSA-N 0 1 326.352 2.823 20 5 EFBDMN O=C([O-])c1ccc2c(c1)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000578779037 320239271 /nfs/dbraw/zinc/23/92/71/320239271.db2.gz CEYFEBIPZPOPIF-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN N=C1Nc2nc3ccccc3n2[C@H](c2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000181356302 323233135 /nfs/dbraw/zinc/23/31/35/323233135.db2.gz GMTSEFOOINKWTE-CYBMUJFWSA-N 0 1 342.746 2.694 20 5 EFBDMN COCCCOCCN(C)c1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000181538255 323238745 /nfs/dbraw/zinc/23/87/45/323238745.db2.gz VYNRYUOPFJJLDY-UHFFFAOYSA-N 0 1 333.388 2.941 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1O ZINC000182467783 323284537 /nfs/dbraw/zinc/28/45/37/323284537.db2.gz WATMTCMSKZFFJN-UHFFFAOYSA-N 0 1 336.369 2.972 20 5 EFBDMN CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184113089 323356415 /nfs/dbraw/zinc/35/64/15/323356415.db2.gz UISGQTQOFJJUAA-BLLLJJGKSA-N 0 1 337.395 2.636 20 5 EFBDMN CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184113089 323356417 /nfs/dbraw/zinc/35/64/17/323356417.db2.gz UISGQTQOFJJUAA-BLLLJJGKSA-N 0 1 337.395 2.636 20 5 EFBDMN C[C@H](N[C@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000185897710 323400579 /nfs/dbraw/zinc/40/05/79/323400579.db2.gz UJRNBEBKCBEHSO-MEDUHNTESA-N 0 1 347.802 2.995 20 5 EFBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000579957434 324066450 /nfs/dbraw/zinc/06/64/50/324066450.db2.gz BARRZHOTWSYJBT-XQQFMLRXSA-N 0 1 348.403 2.530 20 5 EFBDMN O=C1CCCN1CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000579960749 324067754 /nfs/dbraw/zinc/06/77/54/324067754.db2.gz NNXRNDOOEBNVAM-IBGZPJMESA-N 0 1 339.395 2.896 20 5 EFBDMN O=C([O-])c1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000580332561 324143999 /nfs/dbraw/zinc/14/39/99/324143999.db2.gz ZXEKORFSQKLHJG-BLLLJJGKSA-N 0 1 345.399 2.746 20 5 EFBDMN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccn(-c2ccncc2)n1 ZINC000491827327 468365073 /nfs/dbraw/zinc/36/50/73/468365073.db2.gz GAWAMMGZTNLNOC-PLNGDYQASA-N 0 1 335.323 2.827 20 5 EFBDMN C[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000161086943 473205725 /nfs/dbraw/zinc/20/57/25/473205725.db2.gz QMDKWSNKRUKQCI-NSHDSACASA-N 0 1 337.339 2.871 20 5 EFBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000138459510 473219150 /nfs/dbraw/zinc/21/91/50/473219150.db2.gz SXEAONIIFCUGRN-SSDOTTSWSA-N 0 1 328.250 2.828 20 5 EFBDMN C[C@H]1OCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000139126593 473227762 /nfs/dbraw/zinc/22/77/62/473227762.db2.gz JJBSJDOJJMFJPA-QWHCGFSZSA-N 0 1 331.372 2.902 20 5 EFBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161408459 473234026 /nfs/dbraw/zinc/23/40/26/473234026.db2.gz XQFBOLWJEGEZGB-AWEZNQCLSA-N 0 1 327.388 2.512 20 5 EFBDMN O=C(CCCCc1cn[nH]n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000139599428 473235186 /nfs/dbraw/zinc/23/51/86/473235186.db2.gz HLMSOQDXJQIFIN-UHFFFAOYSA-N 0 1 343.387 2.617 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC2(CCCC2)C1 ZINC000139732168 473237406 /nfs/dbraw/zinc/23/74/06/473237406.db2.gz PBDQKZMDYXWFFM-UHFFFAOYSA-N 0 1 347.415 2.877 20 5 EFBDMN COc1cc(S(=O)(=O)Nc2ccc(C)c(F)c2)ccc1[N+](=O)[O-] ZINC000124375935 473239367 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Cn1cc(C[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cn1 ZINC000083216966 473332677 /nfs/dbraw/zinc/33/26/77/473332677.db2.gz XOKBBCUBBPLVTL-GFCCVEGCSA-N 0 1 341.371 2.534 20 5 EFBDMN CCO[C@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000150784653 473353995 /nfs/dbraw/zinc/35/39/95/473353995.db2.gz OSBWUIPKTKKKOG-KGLIPLIRSA-N 0 1 344.371 2.549 20 5 EFBDMN CCO[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000150784606 473354692 /nfs/dbraw/zinc/35/46/92/473354692.db2.gz OSBWUIPKTKKKOG-KBPBESRZSA-N 0 1 344.371 2.549 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171367005 473371396 /nfs/dbraw/zinc/37/13/96/473371396.db2.gz UEHPVNZOIIUPGX-UHFFFAOYSA-N 0 1 342.399 2.975 20 5 EFBDMN CN(C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000609849389 469965659 /nfs/dbraw/zinc/96/56/59/469965659.db2.gz PPTRUAQWOZJJJD-CQSZACIVSA-N 0 1 327.344 2.846 20 5 EFBDMN NC1(c2noc(-c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)CCCCC1 ZINC000424338995 477375350 /nfs/dbraw/zinc/37/53/50/477375350.db2.gz BTTKKFRJQNZAJO-UHFFFAOYSA-N 0 1 346.343 2.534 20 5 EFBDMN O=[N+]([O-])c1sc(CNCCN2CC=CCC2)cc1Br ZINC000602638212 479440537 /nfs/dbraw/zinc/44/05/37/479440537.db2.gz NQRNPQSZCIDHJE-UHFFFAOYSA-N 0 1 346.250 2.770 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](C)C[C@@H](C)C1 ZINC000007385879 471611245 /nfs/dbraw/zinc/61/12/45/471611245.db2.gz KVCWCUXWNZVGKM-UPJWGTAASA-N 0 1 335.404 2.908 20 5 EFBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc2[nH]nnc2c1 ZINC000008719800 471701220 /nfs/dbraw/zinc/70/12/20/471701220.db2.gz PJIZLRWNIREUSW-UHFFFAOYSA-N 0 1 345.746 2.792 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(C2CC2)n[nH]1 ZINC000011470590 471752264 /nfs/dbraw/zinc/75/22/64/471752264.db2.gz ZGIOMNQKUIBARI-UHFFFAOYSA-N 0 1 333.373 2.630 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1n[nH]c(C2CC2)n1 ZINC000011470590 471752268 /nfs/dbraw/zinc/75/22/68/471752268.db2.gz ZGIOMNQKUIBARI-UHFFFAOYSA-N 0 1 333.373 2.630 20 5 EFBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc2c1=O ZINC000025007105 472077371 /nfs/dbraw/zinc/07/73/71/472077371.db2.gz QVRQVPKRLFWKOH-UHFFFAOYSA-N 0 1 337.335 2.709 20 5 EFBDMN CN(C)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000067724759 472079818 /nfs/dbraw/zinc/07/98/18/472079818.db2.gz ACMDWBMASIATQS-HNNXBMFYSA-N 0 1 348.428 2.758 20 5 EFBDMN Cc1cc(NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000054359636 472080485 /nfs/dbraw/zinc/08/04/85/472080485.db2.gz QGZXLGFVSJZMQA-UHFFFAOYSA-N 0 1 344.371 2.742 20 5 EFBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000042048569 472109083 /nfs/dbraw/zinc/10/90/83/472109083.db2.gz ZOOMZQLPRXDXEB-UHFFFAOYSA-N 0 1 344.371 2.500 20 5 EFBDMN C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000043750409 472259114 /nfs/dbraw/zinc/25/91/14/472259114.db2.gz JJXDUTQFIVKVEU-AWEZNQCLSA-N 0 1 339.395 2.771 20 5 EFBDMN CC(C)(C)CCN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000056042858 472274464 /nfs/dbraw/zinc/27/44/64/472274464.db2.gz KMXUQBBXAVLQJJ-UHFFFAOYSA-N 0 1 349.431 2.554 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000056043134 472275287 /nfs/dbraw/zinc/27/52/87/472275287.db2.gz NYXPLMGCVXHXTB-UHFFFAOYSA-N 0 1 349.431 2.797 20 5 EFBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000029488996 472278418 /nfs/dbraw/zinc/27/84/18/472278418.db2.gz XWRLKXAGBMUGSF-MRXNPFEDSA-N 0 1 325.368 2.813 20 5 EFBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000029488998 472278447 /nfs/dbraw/zinc/27/84/47/472278447.db2.gz XWRLKXAGBMUGSF-INIZCTEOSA-N 0 1 325.368 2.813 20 5 EFBDMN C[C@H](C1CC1)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000029725400 472292832 /nfs/dbraw/zinc/29/28/32/472292832.db2.gz JWVLTLGBJJTWIW-SNVBAGLBSA-N 0 1 347.371 2.525 20 5 EFBDMN Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)n1 ZINC000044405381 472305621 /nfs/dbraw/zinc/30/56/21/472305621.db2.gz QPRQKQOLHKLKBV-ZIAGYGMSSA-N 0 1 344.396 2.848 20 5 EFBDMN Nc1nc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)ncc1[N+](=O)[O-] ZINC000076267767 472310033 /nfs/dbraw/zinc/31/00/33/472310033.db2.gz NJCDMFHHWNITRE-UHFFFAOYSA-N 0 1 349.763 2.557 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccco1 ZINC000030276782 472322884 /nfs/dbraw/zinc/32/28/84/472322884.db2.gz YPYKSCRDZGZHAY-UHFFFAOYSA-N 0 1 333.344 2.657 20 5 EFBDMN O=C(NCCc1ccc(F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000044653353 472328211 /nfs/dbraw/zinc/32/82/11/472328211.db2.gz UFPUHWKGKGGNHY-UHFFFAOYSA-N 0 1 328.303 2.583 20 5 EFBDMN COc1ccccc1CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000044652976 472328311 /nfs/dbraw/zinc/32/83/11/472328311.db2.gz CTKOVFWJTSOMCC-UHFFFAOYSA-N 0 1 340.339 2.752 20 5 EFBDMN C[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCCCC1 ZINC000089204714 472391386 /nfs/dbraw/zinc/39/13/86/472391386.db2.gz JEFVEURSZUYOQV-LLVKDONJSA-N 0 1 331.376 2.674 20 5 EFBDMN O=C(NCC1(c2ccccc2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045310418 472391657 /nfs/dbraw/zinc/39/16/57/472391657.db2.gz QBPYSVHPFFIBTI-UHFFFAOYSA-N 0 1 336.351 2.933 20 5 EFBDMN CCc1nc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n[nH]1 ZINC000031850000 472397783 /nfs/dbraw/zinc/39/77/83/472397783.db2.gz ZVDAOEHVEMSJAF-UHFFFAOYSA-N 0 1 332.345 2.618 20 5 EFBDMN CCc1n[nH]c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 ZINC000031850000 472397790 /nfs/dbraw/zinc/39/77/90/472397790.db2.gz ZVDAOEHVEMSJAF-UHFFFAOYSA-N 0 1 332.345 2.618 20 5 EFBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(F)cc2nc[nH]c21 ZINC000089304868 472408954 /nfs/dbraw/zinc/40/89/54/472408954.db2.gz FMLFQHKANLOEAU-UHFFFAOYSA-N 0 1 328.303 2.583 20 5 EFBDMN Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000045527867 472419983 /nfs/dbraw/zinc/41/99/83/472419983.db2.gz RBKQVMFYUJETOS-KRWDZBQOSA-N 0 1 339.395 2.908 20 5 EFBDMN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000097057892 472430067 /nfs/dbraw/zinc/43/00/67/472430067.db2.gz IGYHKNASWFIQTE-QMMMGPOBSA-N 0 1 342.277 2.698 20 5 EFBDMN CN(CCOCc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154442025 472432903 /nfs/dbraw/zinc/43/29/03/472432903.db2.gz PVNYXUJKCUOWLC-SFHVURJKSA-N 0 1 330.384 2.777 20 5 EFBDMN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCc2ccccc2C1 ZINC000032445820 472437377 /nfs/dbraw/zinc/43/73/77/472437377.db2.gz PHMWILQRJIEURE-OAHLLOKOSA-N 0 1 343.383 2.755 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000032586143 472445823 /nfs/dbraw/zinc/44/58/23/472445823.db2.gz LIGVIVCTTMNUEQ-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000077140398 472458444 /nfs/dbraw/zinc/45/84/44/472458444.db2.gz UCUXREDVWAYJNL-CQSZACIVSA-N 0 1 342.399 2.660 20 5 EFBDMN CN(C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000032732437 472459113 /nfs/dbraw/zinc/45/91/13/472459113.db2.gz NOOFTMHVBLKLJT-KRWDZBQOSA-N 0 1 345.374 2.696 20 5 EFBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000032762319 472465106 /nfs/dbraw/zinc/46/51/06/472465106.db2.gz LRFZJQWMVSWKOZ-CQSZACIVSA-N 0 1 348.428 2.562 20 5 EFBDMN CCN(C)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000057913040 472491944 /nfs/dbraw/zinc/49/19/44/472491944.db2.gz MGIWGMUAAHBMGS-QGZVFWFLSA-N 0 1 327.384 2.904 20 5 EFBDMN C[C@@H](Cc1cccs1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000033206278 472505508 /nfs/dbraw/zinc/50/55/08/472505508.db2.gz UYBHADMVLKCHPN-VIFPVBQESA-N 0 1 330.369 2.894 20 5 EFBDMN O=C(CNC1(c2ccccc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077377970 472515086 /nfs/dbraw/zinc/51/50/86/472515086.db2.gz UWTRSSJOAJWOAY-UHFFFAOYSA-N 0 1 337.379 2.763 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H](CCO)C3)co2)cc1 ZINC000089893169 472537751 /nfs/dbraw/zinc/53/77/51/472537751.db2.gz CEMXQSHHPAEKPF-ZDUSSCGKSA-N 0 1 331.372 2.844 20 5 EFBDMN C[C@@H](O)[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089927422 472547560 /nfs/dbraw/zinc/54/75/60/472547560.db2.gz ZNUYWMBPFGFGDY-TZMCWYRMSA-N 0 1 331.372 2.843 20 5 EFBDMN C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119787934 472581850 /nfs/dbraw/zinc/58/18/50/472581850.db2.gz NDJYPFLOXLBFEV-TZMCWYRMSA-N 0 1 347.415 2.683 20 5 EFBDMN O=C(CN1CCC[C@@H]1C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000102926241 472599848 /nfs/dbraw/zinc/59/98/48/472599848.db2.gz VUJRABXUBUNQHM-CYBMUJFWSA-N 0 1 347.371 2.527 20 5 EFBDMN O=C(Cc1ccccc1F)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103202024 472617831 /nfs/dbraw/zinc/61/78/31/472617831.db2.gz ZSUNEEHHKLQDKF-UHFFFAOYSA-N 0 1 341.302 2.700 20 5 EFBDMN O=C(Cc1ccc(F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103202097 472617873 /nfs/dbraw/zinc/61/78/73/472617873.db2.gz YOFMOGUULCCACB-UHFFFAOYSA-N 0 1 341.302 2.700 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000120126333 472634457 /nfs/dbraw/zinc/63/44/57/472634457.db2.gz RLUKTDOGULTFKZ-CYBMUJFWSA-N 0 1 340.343 2.562 20 5 EFBDMN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCOCC1 ZINC000155893505 472634829 /nfs/dbraw/zinc/63/48/29/472634829.db2.gz XYOWFHCMGWFUTO-UHFFFAOYSA-N 0 1 332.360 2.503 20 5 EFBDMN O=C(CC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000061048151 472689481 /nfs/dbraw/zinc/68/94/81/472689481.db2.gz BQKZEIXTDFDJQJ-UHFFFAOYSA-N 0 1 331.416 2.819 20 5 EFBDMN O=C(CN1CCC[C@@H]2CCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072693823 472700652 /nfs/dbraw/zinc/70/06/52/472700652.db2.gz HJPZSACFCPDPCY-BBRMVZONSA-N 0 1 329.400 2.748 20 5 EFBDMN CC[C@@H](CSC)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000091098707 472705677 /nfs/dbraw/zinc/70/56/77/472705677.db2.gz CNEGUGQGBUMJHG-ZDUSSCGKSA-N 0 1 337.445 2.557 20 5 EFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCC1CCOCC1 ZINC000120651736 472725339 /nfs/dbraw/zinc/72/53/39/472725339.db2.gz MOEAKQSHBHYMIV-CYBMUJFWSA-N 0 1 335.404 2.670 20 5 EFBDMN C[C@@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000078543515 472731835 /nfs/dbraw/zinc/73/18/35/472731835.db2.gz FPLBCEVZJHGPNG-NSHDSACASA-N 0 1 346.353 2.661 20 5 EFBDMN CO[C@@]1(C)C[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000072897781 472738017 /nfs/dbraw/zinc/73/80/17/472738017.db2.gz DSIIUQMKZAENFD-YJBOKZPZSA-N 0 1 349.431 2.693 20 5 EFBDMN Cc1c(NC(=O)[C@@H](C)N(C)CCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000120737794 472738310 /nfs/dbraw/zinc/73/83/10/472738310.db2.gz IXJKTMOPRSSYDT-CQSZACIVSA-N 0 1 349.431 2.979 20 5 EFBDMN CC(=O)N1CC[C@@H](CN(C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000156690359 472741396 /nfs/dbraw/zinc/74/13/96/472741396.db2.gz VWOOTVQVONAQJM-HNNXBMFYSA-N 0 1 349.431 2.682 20 5 EFBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000120885591 472763332 /nfs/dbraw/zinc/76/33/32/472763332.db2.gz NUQJJRVSENFZDI-FZMZJTMJSA-N 0 1 337.445 2.729 20 5 EFBDMN COc1ccc(C2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)cc1 ZINC000073168650 472779600 /nfs/dbraw/zinc/77/96/00/472779600.db2.gz OAWXNLTYOCNUOJ-UHFFFAOYSA-N 0 1 344.371 2.655 20 5 EFBDMN CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000121063328 472792739 /nfs/dbraw/zinc/79/27/39/472792739.db2.gz SYVROTWGSJWGCR-AWEZNQCLSA-N 0 1 335.404 2.541 20 5 EFBDMN Cc1ccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000092010881 472841792 /nfs/dbraw/zinc/84/17/92/472841792.db2.gz UDKHMVNVCSDSTM-RDJZCZTQSA-N 0 1 344.415 2.582 20 5 EFBDMN COc1cccc([C@@H]2CCCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000064335545 472844978 /nfs/dbraw/zinc/84/49/78/472844978.db2.gz LXPFZUMBDSVYON-ZDUSSCGKSA-N 0 1 330.344 2.612 20 5 EFBDMN CCC(CC)N(CCOC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000064806163 472878028 /nfs/dbraw/zinc/87/80/28/472878028.db2.gz XQRNOKSUJFIFIB-UHFFFAOYSA-N 0 1 337.420 2.979 20 5 EFBDMN O=C(NCCc1ccc(-c2ccccc2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000158049866 472887982 /nfs/dbraw/zinc/88/79/82/472887982.db2.gz XPMGPSSHUZLRPQ-UHFFFAOYSA-N 0 1 336.351 2.957 20 5 EFBDMN O=C(C[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000121805838 472918336 /nfs/dbraw/zinc/91/83/36/472918336.db2.gz GUFQONNSZGCCNN-GFCCVEGCSA-N 0 1 334.401 2.590 20 5 EFBDMN CN(C)Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000121876628 472935496 /nfs/dbraw/zinc/93/54/96/472935496.db2.gz OFZCIXHGWNVFOR-UHFFFAOYSA-N 0 1 331.347 2.726 20 5 EFBDMN CC[C@@H](O)[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000074287075 472978811 /nfs/dbraw/zinc/97/88/11/472978811.db2.gz YPOQNBQKULTRMQ-HUUCEWRRSA-N 0 1 346.387 2.770 20 5 EFBDMN NC(=O)c1ccc(CN2CCC[C@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000065605704 472987620 /nfs/dbraw/zinc/98/76/20/472987620.db2.gz CKAREWONHFXWHC-INIZCTEOSA-N 0 1 341.367 2.736 20 5 EFBDMN CN(CCN1CCOCC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092974787 473015982 /nfs/dbraw/zinc/01/59/82/473015982.db2.gz OUMUJZVPSGDUDH-UHFFFAOYSA-N 0 1 345.399 2.619 20 5 EFBDMN O=C(CN1CC[C@@H]2CCCC[C@@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000159622144 473045142 /nfs/dbraw/zinc/04/51/42/473045142.db2.gz DRBUGVUTRDJPCH-AAEUAGOBSA-N 0 1 347.371 2.527 20 5 EFBDMN C[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000122794392 473057425 /nfs/dbraw/zinc/05/74/25/473057425.db2.gz MJGYTNIBBPLZFY-ZDUSSCGKSA-N 0 1 334.397 2.547 20 5 EFBDMN CSC[C@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000135450266 473074019 /nfs/dbraw/zinc/07/40/19/473074019.db2.gz REHRISSLDBJLLS-CYBMUJFWSA-N 0 1 334.401 2.972 20 5 EFBDMN CN(CCN1CCCC1=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093320299 473084093 /nfs/dbraw/zinc/08/40/93/473084093.db2.gz AURIAJWPFGUYEZ-UHFFFAOYSA-N 0 1 343.383 2.909 20 5 EFBDMN C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093360053 473092564 /nfs/dbraw/zinc/09/25/64/473092564.db2.gz VGRXVTCGEWDXKV-NSHDSACASA-N 0 1 339.392 2.645 20 5 EFBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000080870071 473093096 /nfs/dbraw/zinc/09/30/96/473093096.db2.gz VDSUEXXWHRIVHU-UHFFFAOYSA-N 0 1 332.266 2.679 20 5 EFBDMN O=C(C=Cc1ccccc1[N+](=O)[O-])NCc1nc2ccc(F)cc2[nH]1 ZINC000080873502 473095010 /nfs/dbraw/zinc/09/50/10/473095010.db2.gz BMIUNYQJDXMWRV-VMPITWQZSA-N 0 1 340.314 2.940 20 5 EFBDMN O=[N+]([O-])c1ccc(CCN2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000081019240 473131517 /nfs/dbraw/zinc/13/15/17/473131517.db2.gz QULYSLILPUDQPR-UHFFFAOYSA-N 0 1 341.411 2.661 20 5 EFBDMN COc1ccc(CN2CCC[C@H](c3nc(C)no3)C2)cc1[N+](=O)[O-] ZINC000052863000 473156385 /nfs/dbraw/zinc/15/63/85/473156385.db2.gz MJCHQDOFGJYTFL-ZDUSSCGKSA-N 0 1 332.360 2.674 20 5 EFBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000093930980 473164694 /nfs/dbraw/zinc/16/46/94/473164694.db2.gz JAQOBTADNUWBPR-UHFFFAOYSA-N 0 1 340.332 2.681 20 5 EFBDMN CCN(C)[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000171480470 473397265 /nfs/dbraw/zinc/39/72/65/473397265.db2.gz ZRKSPTHZHPGXJQ-KRWDZBQOSA-N 0 1 327.384 2.904 20 5 EFBDMN COc1cc(CN2CCSC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000190843918 473408656 /nfs/dbraw/zinc/40/86/56/473408656.db2.gz DGMZXRUHONHRJL-NSHDSACASA-N 0 1 326.418 2.797 20 5 EFBDMN O=C(N[C@H](CCO)C1CCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000151165081 473418835 /nfs/dbraw/zinc/41/88/35/473418835.db2.gz WPIJFMFGEUMXTI-CQSZACIVSA-N 0 1 346.387 2.532 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000171663711 473432237 /nfs/dbraw/zinc/43/22/37/473432237.db2.gz SYFMCOCYVBJHRA-MRVPVSSYSA-N 0 1 338.314 2.992 20 5 EFBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC000185488738 473440171 /nfs/dbraw/zinc/44/01/71/473440171.db2.gz YNQHTAWXBBQZFR-GFCCVEGCSA-N 0 1 328.372 2.948 20 5 EFBDMN C[C@@H](C(=O)N1CCCC[C@@H]1c1nnc[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000185566875 473458187 /nfs/dbraw/zinc/45/81/87/473458187.db2.gz GRIVQUCNQCPOBQ-QMTHXVAHSA-N 0 1 347.350 2.709 20 5 EFBDMN O=C(c1cccc2nn[nH]c21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163671131 473461406 /nfs/dbraw/zinc/46/14/06/473461406.db2.gz QACYZDSHLSLBMG-UHFFFAOYSA-N 0 1 337.339 2.671 20 5 EFBDMN CC(C)CN1CCO[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000171829631 473466512 /nfs/dbraw/zinc/46/65/12/473466512.db2.gz HADULCDXWILTHA-AWEZNQCLSA-N 0 1 344.415 2.912 20 5 EFBDMN CCS[C@H]1CCCCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000171845760 473468994 /nfs/dbraw/zinc/46/89/94/473468994.db2.gz GPJQXPXTMPXESH-JTQLQIEISA-N 0 1 326.422 2.628 20 5 EFBDMN CCc1[nH]nc(C(=O)N(CCc2cccc(F)c2)C2CC2)c1[N+](=O)[O-] ZINC000185656237 473480874 /nfs/dbraw/zinc/48/08/74/473480874.db2.gz KSXZQOFWNZLHPW-UHFFFAOYSA-N 0 1 346.362 2.867 20 5 EFBDMN O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccoc1 ZINC000166438703 473527387 /nfs/dbraw/zinc/52/73/87/473527387.db2.gz PWQUISYLNNXRAS-UHFFFAOYSA-N 0 1 329.356 2.582 20 5 EFBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000126726574 473540902 /nfs/dbraw/zinc/54/09/02/473540902.db2.gz FVIDORHYXTXJHD-NSHDSACASA-N 0 1 337.339 2.871 20 5 EFBDMN CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000152265023 473541326 /nfs/dbraw/zinc/54/13/26/473541326.db2.gz JYOGLSMTWFAEAW-UHFFFAOYSA-N 0 1 349.431 2.885 20 5 EFBDMN COc1ccc(CNC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178650699 473541666 /nfs/dbraw/zinc/54/16/66/473541666.db2.gz SLZSIZHXDGTGNY-ZDUSSCGKSA-N 0 1 343.383 2.570 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H](C3OCCO3)C2)c1 ZINC000172178073 473542728 /nfs/dbraw/zinc/54/27/28/473542728.db2.gz MXOCLLUSBVQNBT-NSHDSACASA-N 0 1 326.780 2.833 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000172181853 473543897 /nfs/dbraw/zinc/54/38/97/473543897.db2.gz BDWZAJBJLYYYMJ-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN Cc1noc(C2CC2)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000126895018 473556858 /nfs/dbraw/zinc/55/68/58/473556858.db2.gz KJQUIQGTLPKJPF-UHFFFAOYSA-N 0 1 337.357 2.878 20 5 EFBDMN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@@H]1CCOC1 ZINC000178773245 473559138 /nfs/dbraw/zinc/55/91/38/473559138.db2.gz NCNXPAPPMBERPY-QWRGUYRKSA-N 0 1 341.795 2.544 20 5 EFBDMN Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000126927408 473559908 /nfs/dbraw/zinc/55/99/08/473559908.db2.gz ZZXIOYABZVWQLY-UHFFFAOYSA-N 0 1 337.357 2.878 20 5 EFBDMN O=C(NC1(c2nnc[nH]2)CCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000170619320 473567100 /nfs/dbraw/zinc/56/71/00/473567100.db2.gz ILSFEUJVDDELGH-UHFFFAOYSA-N 0 1 343.368 2.737 20 5 EFBDMN CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000170647419 473573519 /nfs/dbraw/zinc/57/35/19/473573519.db2.gz CHHBHOBYOSRRDI-AWEZNQCLSA-N 0 1 335.404 2.941 20 5 EFBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192003767 473603492 /nfs/dbraw/zinc/60/34/92/473603492.db2.gz COTMJLLKSFTCNK-HIFRSBDPSA-N 0 1 335.404 2.527 20 5 EFBDMN COc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153170842 473611870 /nfs/dbraw/zinc/61/18/70/473611870.db2.gz VTMOUJQOCLXOLX-UPJWGTAASA-N 0 1 333.388 2.662 20 5 EFBDMN CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000127433323 473612909 /nfs/dbraw/zinc/61/29/09/473612909.db2.gz SKSSWNMAYMLQQV-HNNXBMFYSA-N 0 1 329.404 2.522 20 5 EFBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Br)s1 ZINC000172716309 473675277 /nfs/dbraw/zinc/67/52/77/473675277.db2.gz XVCGVVIPBQZNRB-UHFFFAOYSA-N 0 1 345.222 2.747 20 5 EFBDMN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCCN(C)C1 ZINC000172751168 473680331 /nfs/dbraw/zinc/68/03/31/473680331.db2.gz AKMSRWBIDGPFRT-ZDUSSCGKSA-N 0 1 333.413 2.976 20 5 EFBDMN O=[N+]([O-])c1cnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)s1 ZINC000192551869 473691321 /nfs/dbraw/zinc/69/13/21/473691321.db2.gz FGDXCGNVQNPNNQ-CQSZACIVSA-N 0 1 348.428 2.754 20 5 EFBDMN Cc1cc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ncc1[N+](=O)[O-] ZINC000179597362 473697581 /nfs/dbraw/zinc/69/75/81/473697581.db2.gz VWLPICLXVLGEBT-LBPRGKRZSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1cc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ncc1[N+](=O)[O-] ZINC000179597362 473697583 /nfs/dbraw/zinc/69/75/83/473697583.db2.gz VWLPICLXVLGEBT-LBPRGKRZSA-N 0 1 328.376 2.678 20 5 EFBDMN O=C(CN1CCC[C@H]2CCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000245441491 473702094 /nfs/dbraw/zinc/70/20/94/473702094.db2.gz HJPZSACFCPDPCY-CZUORRHYSA-N 0 1 329.400 2.748 20 5 EFBDMN CC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cc(F)ccc1F ZINC000179773981 473723269 /nfs/dbraw/zinc/72/32/69/473723269.db2.gz LPBJCDMNLOPWMD-OAHLLOKOSA-N 0 1 337.326 2.776 20 5 EFBDMN CCc1ccc([C@@H](COC)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)o1 ZINC000269211761 473733776 /nfs/dbraw/zinc/73/37/76/473733776.db2.gz WFORTEAYLCOPAY-CQSZACIVSA-N 0 1 334.328 2.573 20 5 EFBDMN COc1cccc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000269316677 473770899 /nfs/dbraw/zinc/77/08/99/473770899.db2.gz HOPXFPKUOYSCLR-UHFFFAOYSA-N 0 1 332.360 2.722 20 5 EFBDMN Cc1cc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000263555879 473774509 /nfs/dbraw/zinc/77/45/09/473774509.db2.gz OGCFYDVQEZEGGQ-UHFFFAOYSA-N 0 1 333.388 2.643 20 5 EFBDMN COc1cc(CN2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])cc1F ZINC000274296928 473775781 /nfs/dbraw/zinc/77/57/81/473775781.db2.gz IOGLSOFGTFDVCS-INIZCTEOSA-N 0 1 326.368 2.870 20 5 EFBDMN COCCN(Cc1ccccc1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269339012 473778949 /nfs/dbraw/zinc/77/89/49/473778949.db2.gz CRPWBZJKKJJTAX-UHFFFAOYSA-N 0 1 346.387 2.730 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000269342789 473780516 /nfs/dbraw/zinc/78/05/16/473780516.db2.gz DKUPVJDBVXGTKN-LBPRGKRZSA-N 0 1 331.376 2.757 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000263695314 473810563 /nfs/dbraw/zinc/81/05/63/473810563.db2.gz JRHXXKAKCYARPN-CYBMUJFWSA-N 0 1 332.335 2.997 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCS[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000269495634 473824915 /nfs/dbraw/zinc/82/49/15/473824915.db2.gz MEDSYRBDCBPDBC-MNOVXSKESA-N 0 1 338.433 2.942 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCc2ccccc2C1 ZINC000288095422 473847183 /nfs/dbraw/zinc/84/71/83/473847183.db2.gz JGRMILRVRMJZFH-UHFFFAOYSA-N 0 1 329.404 2.590 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000246406066 473854714 /nfs/dbraw/zinc/85/47/14/473854714.db2.gz LKVKSELOUUDFHN-AVGNSLFASA-N 0 1 349.456 2.817 20 5 EFBDMN O=[N+]([O-])c1ccc(OC(F)F)c(NCc2n[nH]c(C3CC3)n2)c1 ZINC000187402797 473867670 /nfs/dbraw/zinc/86/76/70/473867670.db2.gz HAYHQYNYJKPYJH-UHFFFAOYSA-N 0 1 325.275 2.804 20 5 EFBDMN Cc1ccc(CNC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180415621 473872952 /nfs/dbraw/zinc/87/29/52/473872952.db2.gz HYFCWBIRPGNJTE-CQSZACIVSA-N 0 1 327.384 2.870 20 5 EFBDMN C[C@H](NCC(=O)NCc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180437959 473878491 /nfs/dbraw/zinc/87/84/91/473878491.db2.gz VGIKSHXSMYAQMD-NSHDSACASA-N 0 1 349.337 2.840 20 5 EFBDMN COCCn1cc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)cn1 ZINC000281928874 473887521 /nfs/dbraw/zinc/88/75/21/473887521.db2.gz OQBZSXFQTJZCOM-UHFFFAOYSA-N 0 1 341.371 2.906 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000194419234 473895252 /nfs/dbraw/zinc/89/52/52/473895252.db2.gz XIDFFXDEMKPBTK-UHFFFAOYSA-N 0 1 344.302 2.549 20 5 EFBDMN CCO[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCC2 ZINC000194454692 473900197 /nfs/dbraw/zinc/90/01/97/473900197.db2.gz JDEPWZCIOUZRCK-CABCVRRESA-N 0 1 335.360 2.940 20 5 EFBDMN CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCC2 ZINC000194454677 473900821 /nfs/dbraw/zinc/90/08/21/473900821.db2.gz JDEPWZCIOUZRCK-HUUCEWRRSA-N 0 1 335.360 2.940 20 5 EFBDMN Cc1nc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCCCC2)no1 ZINC000274646328 473908275 /nfs/dbraw/zinc/90/82/75/473908275.db2.gz RLUCLECCXPHESC-UHFFFAOYSA-N 0 1 346.343 2.581 20 5 EFBDMN CC(C)(O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000263948896 473914864 /nfs/dbraw/zinc/91/48/64/473914864.db2.gz WSPXBDQSSRXHEE-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN COc1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000246619683 473917652 /nfs/dbraw/zinc/91/76/52/473917652.db2.gz QLBWLWZICNVXRE-CZUORRHYSA-N 0 1 330.388 2.883 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]4OCCC[C@H]4C3)n2)c1 ZINC000246691298 473934924 /nfs/dbraw/zinc/93/49/24/473934924.db2.gz MWQAYZGNDYWNML-ZFWWWQNUSA-N 0 1 344.371 2.646 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]4OCCC[C@H]4C3)n2)c1 ZINC000246691283 473935261 /nfs/dbraw/zinc/93/52/61/473935261.db2.gz MWQAYZGNDYWNML-DZGCQCFKSA-N 0 1 344.371 2.646 20 5 EFBDMN CCOc1cccc([C@@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000180668959 473936761 /nfs/dbraw/zinc/93/67/61/473936761.db2.gz QEDGNHQQUVLCAK-GFCCVEGCSA-N 0 1 343.383 2.943 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000264160315 473954512 /nfs/dbraw/zinc/95/45/12/473954512.db2.gz BBDGZEAFUHWKQL-ZDUSSCGKSA-N 0 1 331.376 2.722 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000274859898 473992407 /nfs/dbraw/zinc/99/24/07/473992407.db2.gz VSMFBUSMNWVART-HUUCEWRRSA-N 0 1 332.356 2.664 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1NC1CCN(Cc2ccccn2)CC1 ZINC000264493017 474012991 /nfs/dbraw/zinc/01/29/91/474012991.db2.gz SZTHRCPPLKMYGU-UHFFFAOYSA-N 0 1 327.388 2.770 20 5 EFBDMN CC[C@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000174369353 474029903 /nfs/dbraw/zinc/02/99/03/474029903.db2.gz QDSKBDSTXQNCJO-ZDUSSCGKSA-N 0 1 326.418 2.810 20 5 EFBDMN Cc1c(NC(=O)[C@@H](C)N(C)CCc2ccncc2)cccc1[N+](=O)[O-] ZINC000181471732 474039544 /nfs/dbraw/zinc/03/95/44/474039544.db2.gz XXNSTWSORAPPIR-CQSZACIVSA-N 0 1 342.399 2.800 20 5 EFBDMN C[C@@H](C(=O)N1CCC(C)CC1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282394321 474047940 /nfs/dbraw/zinc/04/79/40/474047940.db2.gz HCZZSQZYMOVKKR-HNNXBMFYSA-N 0 1 333.432 2.716 20 5 EFBDMN Cc1c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000174509167 474054227 /nfs/dbraw/zinc/05/42/27/474054227.db2.gz DTAIWQOPKLALDB-UHFFFAOYSA-N 0 1 342.330 2.891 20 5 EFBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccco1)N1CCCC1 ZINC000195333936 474059914 /nfs/dbraw/zinc/05/99/14/474059914.db2.gz VVSKZKVRKJCYML-ZDUSSCGKSA-N 0 1 333.392 2.962 20 5 EFBDMN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCc2ccccc2C1 ZINC000195346194 474062672 /nfs/dbraw/zinc/06/26/72/474062672.db2.gz OAEVDRMZWGSKNZ-UHFFFAOYSA-N 0 1 329.404 2.590 20 5 EFBDMN Cc1cc([C@H]2CCCN(C(=O)NCc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000282542181 474104345 /nfs/dbraw/zinc/10/43/45/474104345.db2.gz WLDGIYWSPFSKOR-AWEZNQCLSA-N 0 1 343.387 2.716 20 5 EFBDMN CCc1nc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000182279518 474141279 /nfs/dbraw/zinc/14/12/79/474141279.db2.gz FXOIBAVAPLYXCA-UHFFFAOYSA-N 0 1 329.238 2.546 20 5 EFBDMN CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000182279518 474141286 /nfs/dbraw/zinc/14/12/86/474141286.db2.gz FXOIBAVAPLYXCA-UHFFFAOYSA-N 0 1 329.238 2.546 20 5 EFBDMN CCCC[N@@H+](C)C[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000289084241 474142751 /nfs/dbraw/zinc/14/27/51/474142751.db2.gz OGSSLFYYEFZJGI-JTQLQIEISA-N 0 1 349.478 2.592 20 5 EFBDMN CCCCN(C)C[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000289084241 474142755 /nfs/dbraw/zinc/14/27/55/474142755.db2.gz OGSSLFYYEFZJGI-JTQLQIEISA-N 0 1 349.478 2.592 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC=C(C(F)(F)F)CC1 ZINC000270533179 474158668 /nfs/dbraw/zinc/15/86/68/474158668.db2.gz VYGKECXHMGHZOR-UHFFFAOYSA-N 0 1 340.261 2.806 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CC=C(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000270545498 474164704 /nfs/dbraw/zinc/16/47/04/474164704.db2.gz YCIXYJBMYPSKLX-UHFFFAOYSA-N 0 1 332.282 2.776 20 5 EFBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000289217646 474186507 /nfs/dbraw/zinc/18/65/07/474186507.db2.gz NKCYODIUDGBVAV-AWEZNQCLSA-N 0 1 343.387 2.579 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000265391510 474197445 /nfs/dbraw/zinc/19/74/45/474197445.db2.gz UVWOYYCXBMUGLU-CYBMUJFWSA-N 0 1 346.412 2.865 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCN(C4CCC4)CC3)co2)cc1 ZINC000270665335 474211408 /nfs/dbraw/zinc/21/14/08/474211408.db2.gz WJYXVFUGPWXRQD-UHFFFAOYSA-N 0 1 342.399 2.920 20 5 EFBDMN Cc1c(NC(=O)CCN2CCOCC23CCCC3)cccc1[N+](=O)[O-] ZINC000270691956 474223737 /nfs/dbraw/zinc/22/37/37/474223737.db2.gz WIMVYTJECQSTIS-UHFFFAOYSA-N 0 1 347.415 2.877 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(NC(=O)C2CC2)CC1 ZINC000182657139 474227441 /nfs/dbraw/zinc/22/74/41/474227441.db2.gz ORROXHCHHBEIMY-CYBMUJFWSA-N 0 1 331.416 2.955 20 5 EFBDMN COc1ccccc1[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000248121433 474262140 /nfs/dbraw/zinc/26/21/40/474262140.db2.gz DZGOHFAGNUTSCJ-BFYDXBDKSA-N 0 1 326.352 2.566 20 5 EFBDMN CCCCN(CCCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289453929 474277380 /nfs/dbraw/zinc/27/73/80/474277380.db2.gz NMTFNLHECKXHJE-UHFFFAOYSA-N 0 1 326.393 2.597 20 5 EFBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899214 474282705 /nfs/dbraw/zinc/28/27/05/474282705.db2.gz UZQFLTHHKXTZKJ-QWHCGFSZSA-N 0 1 347.415 2.683 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCCN1CCN(C)CC1 ZINC000182955606 474296117 /nfs/dbraw/zinc/29/61/17/474296117.db2.gz ZVWYPLCPUPYBCK-INIZCTEOSA-N 0 1 334.464 2.534 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000265701966 474301792 /nfs/dbraw/zinc/30/17/92/474301792.db2.gz RBMWDAJLZNZNGP-WCQYABFASA-N 0 1 328.372 2.953 20 5 EFBDMN C[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275747771 474304389 /nfs/dbraw/zinc/30/43/89/474304389.db2.gz RJWPCTWPHRVSOO-GUTXKFCHSA-N 0 1 329.404 2.785 20 5 EFBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000248463969 474333506 /nfs/dbraw/zinc/33/35/06/474333506.db2.gz QVRHXRUKZTYMDT-MSOLQXFVSA-N 0 1 346.358 2.921 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CCSC3(CCOCC3)C2)cc1F ZINC000283213760 474339308 /nfs/dbraw/zinc/33/93/08/474339308.db2.gz SFARALYQEUXPLI-UHFFFAOYSA-N 0 1 326.393 2.832 20 5 EFBDMN COc1ccc([C@H](CCO)NCc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000283232929 474345315 /nfs/dbraw/zinc/34/53/15/474345315.db2.gz UGLQCRUGZHLRLE-INIZCTEOSA-N 0 1 334.347 2.956 20 5 EFBDMN CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265827632 474352483 /nfs/dbraw/zinc/35/24/83/474352483.db2.gz SDSCTLOVFRKERV-INIZCTEOSA-N 0 1 333.432 2.863 20 5 EFBDMN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000265933195 474391157 /nfs/dbraw/zinc/39/11/57/474391157.db2.gz DZGFRIUWEMWEBG-GXFFZTMASA-N 0 1 325.796 2.660 20 5 EFBDMN Cc1cc([C@@H]2CCCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000283456667 474408701 /nfs/dbraw/zinc/40/87/01/474408701.db2.gz HTAJJCNDTTZAQF-CYBMUJFWSA-N 0 1 328.372 2.955 20 5 EFBDMN COCC1(O)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000271188151 474432169 /nfs/dbraw/zinc/43/21/69/474432169.db2.gz OAVKWUFQXBYKDF-UHFFFAOYSA-N 0 1 346.383 2.828 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnc(C2OCCO2)s1 ZINC000289888450 474472573 /nfs/dbraw/zinc/47/25/73/474472573.db2.gz WYTFLTCWQKTJRT-UHFFFAOYSA-N 0 1 349.412 2.771 20 5 EFBDMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000184202616 474486357 /nfs/dbraw/zinc/48/63/57/474486357.db2.gz CTIDOODIORJNDI-UHFFFAOYSA-N 0 1 335.323 2.583 20 5 EFBDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)COCc1ccccc1 ZINC000276312362 474491424 /nfs/dbraw/zinc/49/14/24/474491424.db2.gz MPJATFTUPOPJBX-MRXNPFEDSA-N 0 1 348.374 2.743 20 5 EFBDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)COCc1ccccc1 ZINC000276312353 474491633 /nfs/dbraw/zinc/49/16/33/474491633.db2.gz MPJATFTUPOPJBX-INIZCTEOSA-N 0 1 348.374 2.743 20 5 EFBDMN Cc1ccc(CN2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000271392184 474524235 /nfs/dbraw/zinc/52/42/35/474524235.db2.gz UDKHMVNVCSDSTM-NVXWUHKLSA-N 0 1 344.415 2.582 20 5 EFBDMN Cc1ccc(CN2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000271392181 474524274 /nfs/dbraw/zinc/52/42/74/474524274.db2.gz UDKHMVNVCSDSTM-DOTOQJQBSA-N 0 1 344.415 2.582 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2cccc3c2CN(C)C3)ccc1[N+](=O)[O-] ZINC000283910454 474524779 /nfs/dbraw/zinc/52/47/79/474524779.db2.gz DHIWPKWGEDZOIQ-UHFFFAOYSA-N 0 1 347.396 2.649 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n[nH]1 ZINC000271393220 474525766 /nfs/dbraw/zinc/52/57/66/474525766.db2.gz JEOWLDOHOUUVIA-LLVKDONJSA-N 0 1 331.376 2.692 20 5 EFBDMN CCO[C@@H]1C[C@@](CO)(NCc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000189992778 474530176 /nfs/dbraw/zinc/53/01/76/474530176.db2.gz YCCDWYBBRQHILP-ZBFHGGJFSA-N 0 1 342.823 2.904 20 5 EFBDMN CCCC[C@@H](C)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000290097761 474557168 /nfs/dbraw/zinc/55/71/68/474557168.db2.gz ZZOOCEKMGGRHSO-LLVKDONJSA-N 0 1 337.376 2.773 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CN(C)C2 ZINC000284046287 474559873 /nfs/dbraw/zinc/55/98/73/474559873.db2.gz LDOQCZLJCVEZCE-UHFFFAOYSA-N 0 1 347.396 2.649 20 5 EFBDMN CCOc1ccc([C@H](C)NC[C@@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271505194 474573837 /nfs/dbraw/zinc/57/38/37/474573837.db2.gz MPOAGAAXYLMTKK-TVQRCGJNSA-N 0 1 336.310 2.957 20 5 EFBDMN Cn1c(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000609138759 480117401 /nfs/dbraw/zinc/11/74/01/480117401.db2.gz UPWMMPADQMPKRH-UHFFFAOYSA-N 0 1 346.734 2.624 20 5 EFBDMN Cc1ccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000272943560 474646824 /nfs/dbraw/zinc/64/68/24/474646824.db2.gz NYIWSKQIPVWPRR-UHFFFAOYSA-N 0 1 348.424 2.775 20 5 EFBDMN Cc1ccc([C@H](C)N[C@H](Cc2ccc(F)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000272982971 474657840 /nfs/dbraw/zinc/65/78/40/474657840.db2.gz JMDTYRXQPJDGTE-BLLLJJGKSA-N 0 1 345.374 2.790 20 5 EFBDMN O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1ccc([N+](=O)[O-])s1 ZINC000344351985 474677964 /nfs/dbraw/zinc/67/79/64/474677964.db2.gz SONNGSFDDRHRSY-UHFFFAOYSA-N 0 1 333.304 2.833 20 5 EFBDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2Cl)OC)c1[N+](=O)[O-] ZINC000291810734 474698448 /nfs/dbraw/zinc/69/84/48/474698448.db2.gz LRPUOTOSMWLROC-UHFFFAOYSA-N 0 1 338.751 2.738 20 5 EFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000252652771 474703269 /nfs/dbraw/zinc/70/32/69/474703269.db2.gz FEZOIFFCOQQWCB-QWQRMKEZSA-N 0 1 347.415 2.549 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344413632 474731215 /nfs/dbraw/zinc/73/12/15/474731215.db2.gz DTVBFKIIWOAXKF-STQMWFEESA-N 0 1 346.431 2.724 20 5 EFBDMN CC[C@]1(C)COCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000340870666 474736702 /nfs/dbraw/zinc/73/67/02/474736702.db2.gz BZNDNGJWTBDXCF-QGZVFWFLSA-N 0 1 335.404 2.733 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000344421295 474741062 /nfs/dbraw/zinc/74/10/62/474741062.db2.gz KWUQHWIZRSWILO-BETUJISGSA-N 0 1 344.415 2.560 20 5 EFBDMN COCC[N@@H+](CCc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338937140 474750843 /nfs/dbraw/zinc/75/08/43/474750843.db2.gz CRGQWRCGLQZQJN-UHFFFAOYSA-N 0 1 330.384 2.992 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000284777953 474767913 /nfs/dbraw/zinc/76/79/13/474767913.db2.gz NCWKCORSSCTFAA-LSDHHAIUSA-N 0 1 344.371 2.788 20 5 EFBDMN CN(Cc1nccn1CC(F)(F)F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338967021 474785687 /nfs/dbraw/zinc/78/56/87/474785687.db2.gz OKRXAPYGGSKXDA-UHFFFAOYSA-N 0 1 344.293 2.691 20 5 EFBDMN CN(C)Cc1ccsc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268096658 474795774 /nfs/dbraw/zinc/79/57/74/474795774.db2.gz KAYHLFTVCRQBQU-UHFFFAOYSA-N 0 1 333.413 2.690 20 5 EFBDMN CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccn1 ZINC000268133239 474816830 /nfs/dbraw/zinc/81/68/30/474816830.db2.gz CYYJGQAERBPPMN-UHFFFAOYSA-N 0 1 331.372 2.899 20 5 EFBDMN CCOc1cc(CN[C@H](C(=O)N2CCCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000617217480 480129605 /nfs/dbraw/zinc/12/96/05/480129605.db2.gz NXYXTBRPWWLPKK-KRWDZBQOSA-N 0 1 349.431 2.730 20 5 EFBDMN COC[C@@H](c1ccc(Cl)cc1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000278823139 474855000 /nfs/dbraw/zinc/85/50/00/474855000.db2.gz CJRAZNQOTMTVRT-HNNXBMFYSA-N 0 1 338.795 2.764 20 5 EFBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H](O)Cc1ccccc1 ZINC000293190569 474861271 /nfs/dbraw/zinc/86/12/71/474861271.db2.gz FDISWTFFNBHCOL-OAHLLOKOSA-N 0 1 341.367 2.771 20 5 EFBDMN CCOC(=O)C1(N(C)Cc2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000339046478 474875708 /nfs/dbraw/zinc/87/57/08/474875708.db2.gz ADVSXLITZAADMG-UHFFFAOYSA-N 0 1 336.388 2.998 20 5 EFBDMN CCOCC(C)(C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293229787 474878382 /nfs/dbraw/zinc/87/83/82/474878382.db2.gz KRBIYTGBKZWAJU-UHFFFAOYSA-N 0 1 329.784 2.591 20 5 EFBDMN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)N1CCOCC1 ZINC000345090181 474881699 /nfs/dbraw/zinc/88/16/99/474881699.db2.gz JDPSLZGMOKLOPQ-QGZVFWFLSA-N 0 1 344.415 2.912 20 5 EFBDMN CN(C)C(=O)C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339066691 474895998 /nfs/dbraw/zinc/89/59/98/474895998.db2.gz DCOJGDLFYQFZQJ-MRXNPFEDSA-N 0 1 343.383 2.610 20 5 EFBDMN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000292196028 474898124 /nfs/dbraw/zinc/89/81/24/474898124.db2.gz RWPAJORJAYMUKW-ZWNOBZJWSA-N 0 1 345.321 2.626 20 5 EFBDMN C[C@H]1C[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000319227100 474898881 /nfs/dbraw/zinc/89/88/81/474898881.db2.gz UJXRIPQRLQLFLJ-URLYPYJESA-N 0 1 330.381 2.837 20 5 EFBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(C2CCCC2)CC1 ZINC000273458379 474909005 /nfs/dbraw/zinc/90/90/05/474909005.db2.gz MJIUNZWLTUEVOP-UHFFFAOYSA-N 0 1 336.367 2.826 20 5 EFBDMN C[N@H+]1CC[C@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 ZINC000292245065 474922435 /nfs/dbraw/zinc/92/24/35/474922435.db2.gz OMVVYCJLGMKBCU-KRWDZBQOSA-N 0 1 345.424 2.977 20 5 EFBDMN CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339097607 474925762 /nfs/dbraw/zinc/92/57/62/474925762.db2.gz YSECTHWEJNMCMU-CYBMUJFWSA-N 0 1 336.388 2.854 20 5 EFBDMN CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339097607 474925767 /nfs/dbraw/zinc/92/57/67/474925767.db2.gz YSECTHWEJNMCMU-CYBMUJFWSA-N 0 1 336.388 2.854 20 5 EFBDMN Cc1cccc(C)c1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273500096 474932331 /nfs/dbraw/zinc/93/23/31/474932331.db2.gz PEMFZVWKJMNEHF-UHFFFAOYSA-N 0 1 348.424 2.775 20 5 EFBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000339117138 474943713 /nfs/dbraw/zinc/94/37/13/474943713.db2.gz BZQNRFRQKXJXLG-LJQANCHMSA-N 0 1 342.395 2.870 20 5 EFBDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2C)cc2c1OCO2 ZINC000326237618 475000612 /nfs/dbraw/zinc/00/06/12/475000612.db2.gz WSYZVMUXAWEMAQ-UHFFFAOYSA-N 0 1 330.340 2.930 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN1CCc2ccccc2[C@@H]1CO ZINC000268483040 475005706 /nfs/dbraw/zinc/00/57/06/475005706.db2.gz LRBPNFGVOLHXQT-KRWDZBQOSA-N 0 1 328.368 2.565 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[C@](C)(C(=O)OC)C1 ZINC000337429989 475009066 /nfs/dbraw/zinc/00/90/66/475009066.db2.gz FPFGEDVVQDOAPU-YVEFUNNKSA-N 0 1 336.388 2.625 20 5 EFBDMN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339209298 475042401 /nfs/dbraw/zinc/04/24/01/475042401.db2.gz MDHRUYFOXLGNFB-STQMWFEESA-N 0 1 349.431 2.768 20 5 EFBDMN NC1(c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)CCC1 ZINC000261781707 475060266 /nfs/dbraw/zinc/06/02/66/475060266.db2.gz NXFWXNRRBPXZOQ-UHFFFAOYSA-N 0 1 329.360 2.583 20 5 EFBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268956543 475092399 /nfs/dbraw/zinc/09/23/99/475092399.db2.gz IYKOAYWLNNZYPQ-CYBMUJFWSA-N 0 1 332.385 2.604 20 5 EFBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2cn[nH]c21 ZINC000268956545 475092728 /nfs/dbraw/zinc/09/27/28/475092728.db2.gz IYKOAYWLNNZYPQ-ZDUSSCGKSA-N 0 1 332.385 2.604 20 5 EFBDMN C[C@@H]1SCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H]1C ZINC000295945317 475138273 /nfs/dbraw/zinc/13/82/73/475138273.db2.gz TZYKNUKGDPOVCH-QWRGUYRKSA-N 0 1 346.412 2.951 20 5 EFBDMN COc1cc(OCc2nc([C@H](N)CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000339367803 475164428 /nfs/dbraw/zinc/16/44/28/475164428.db2.gz TZIWIQAXOKXFDD-LLVKDONJSA-N 0 1 336.348 2.611 20 5 EFBDMN O=C(N[C@@H]1CCCC[C@H]1OC(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000337595699 475166642 /nfs/dbraw/zinc/16/66/42/475166642.db2.gz FRQQHMGDKLKXAY-VXGBXAGGSA-N 0 1 330.287 2.581 20 5 EFBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccccc1 ZINC000341588075 475170305 /nfs/dbraw/zinc/17/03/05/475170305.db2.gz PVVKLIRKBKFQEA-LSDHHAIUSA-N 0 1 341.411 2.993 20 5 EFBDMN Cc1cccc(N2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c1 ZINC000269106880 475175634 /nfs/dbraw/zinc/17/56/34/475175634.db2.gz BMPZPXWROICJTH-UHFFFAOYSA-N 0 1 341.367 2.571 20 5 EFBDMN C[C@H](O)C[C@H]1CCCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000287505698 475176619 /nfs/dbraw/zinc/17/66/19/475176619.db2.gz UTLKIIFRWMHUSV-NWDGAFQWSA-N 0 1 346.387 2.627 20 5 EFBDMN CCC(=O)c1ccc(N[C@H](C)CCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000281335524 475176984 /nfs/dbraw/zinc/17/69/84/475176984.db2.gz AZQLMOJUWWZAIK-CQSZACIVSA-N 0 1 348.447 2.625 20 5 EFBDMN O=C(NCCn1c2ccccc2c2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000345426152 475184244 /nfs/dbraw/zinc/18/42/44/475184244.db2.gz QWALWGZUGQQGFF-UHFFFAOYSA-N 0 1 349.350 2.856 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000337618729 475188886 /nfs/dbraw/zinc/18/88/86/475188886.db2.gz CVBBYWGQEOCFEJ-UHFFFAOYSA-N 0 1 330.222 2.598 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000337621011 475189636 /nfs/dbraw/zinc/18/96/36/475189636.db2.gz FZKUEZQNXMYVJF-UHFFFAOYSA-N 0 1 330.222 2.598 20 5 EFBDMN CSCCCN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000296146537 475208487 /nfs/dbraw/zinc/20/84/87/475208487.db2.gz JJIUIMPOOKRZLY-UHFFFAOYSA-N 0 1 334.401 2.810 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CCO)Cc1cccnc1 ZINC000347334546 475241413 /nfs/dbraw/zinc/24/14/13/475241413.db2.gz IVHAZUCFYDZGQN-XNTDXEJSSA-N 0 1 327.384 2.888 20 5 EFBDMN Cc1cc(-c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000347346692 475252570 /nfs/dbraw/zinc/25/25/70/475252570.db2.gz XQRHPILIIOPYKT-PBHICJAKSA-N 0 1 344.371 2.879 20 5 EFBDMN Cc1cc(-c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000347346701 475253131 /nfs/dbraw/zinc/25/31/31/475253131.db2.gz XQRHPILIIOPYKT-YOEHRIQHSA-N 0 1 344.371 2.879 20 5 EFBDMN CCOCCN1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347352601 475258053 /nfs/dbraw/zinc/25/80/53/475258053.db2.gz FKYPXRJZZDIMBJ-SSZFMOIBSA-N 0 1 333.432 2.652 20 5 EFBDMN CC(C)(C)c1ccc(C(=O)NCc2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000296302734 475259573 /nfs/dbraw/zinc/25/95/73/475259573.db2.gz YHZBUKGJPKFFJW-UHFFFAOYSA-N 0 1 343.387 2.818 20 5 EFBDMN Cc1ccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000361249210 475301883 /nfs/dbraw/zinc/30/18/83/475301883.db2.gz FPXNOJWAHSTWHW-AWEZNQCLSA-N 0 1 343.358 2.937 20 5 EFBDMN COCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000361262194 475309868 /nfs/dbraw/zinc/30/98/68/475309868.db2.gz RPOAMQZSMLTUFM-VXGBXAGGSA-N 0 1 338.408 2.719 20 5 EFBDMN Cn1ccc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000354662539 475324505 /nfs/dbraw/zinc/32/45/05/475324505.db2.gz WLGCZGVCKXDWDZ-UHFFFAOYSA-N 0 1 343.412 2.784 20 5 EFBDMN CC[C@H](N[C@@H](CCSC)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000352487196 475340782 /nfs/dbraw/zinc/34/07/82/475340782.db2.gz BADHBIJJSLEYMB-GJZGRUSLSA-N 0 1 339.461 2.845 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000296521309 475353091 /nfs/dbraw/zinc/35/30/91/475353091.db2.gz FALYVDFJSIMIMQ-UHFFFAOYSA-N 0 1 332.364 2.775 20 5 EFBDMN CN(C)C(=O)[C@@H](c1ccccc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000352543419 475397194 /nfs/dbraw/zinc/39/71/94/475397194.db2.gz FEUJEFCCLSDXQR-GOSISDBHSA-N 0 1 341.411 2.899 20 5 EFBDMN Cc1cc(N2CCN(C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339678058 475403203 /nfs/dbraw/zinc/40/32/03/475403203.db2.gz PUOJAJRFICBPBW-CYBMUJFWSA-N 0 1 327.388 2.501 20 5 EFBDMN Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331783533 475412244 /nfs/dbraw/zinc/41/22/44/475412244.db2.gz IEOVOWCUXWDIMM-INIZCTEOSA-N 0 1 330.388 2.988 20 5 EFBDMN Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331783533 475412249 /nfs/dbraw/zinc/41/22/49/475412249.db2.gz IEOVOWCUXWDIMM-INIZCTEOSA-N 0 1 330.388 2.988 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345750517 475418010 /nfs/dbraw/zinc/41/80/10/475418010.db2.gz CVMFPIDZZGLKPK-RDBSUJKOSA-N 0 1 334.420 2.780 20 5 EFBDMN C[C@@H]1CCN(C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358123085 475418729 /nfs/dbraw/zinc/41/87/29/475418729.db2.gz MJTGEOBRYCZJMR-GFCCVEGCSA-N 0 1 337.395 2.564 20 5 EFBDMN Cc1nc(NC[C@@H](C)N2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000296668172 475420802 /nfs/dbraw/zinc/42/08/02/475420802.db2.gz ZDNUQDGZIXPTER-GFCCVEGCSA-N 0 1 327.388 2.552 20 5 EFBDMN C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCOC1 ZINC000348142381 475423518 /nfs/dbraw/zinc/42/35/18/475423518.db2.gz NFQYQJSFRZJAID-AAEUAGOBSA-N 0 1 332.360 2.550 20 5 EFBDMN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCOC1 ZINC000348145952 475425401 /nfs/dbraw/zinc/42/54/01/475425401.db2.gz MKSWCRNCZZCGAH-AAEUAGOBSA-N 0 1 332.360 2.550 20 5 EFBDMN Cc1ccc(C=Cc2n[nH]c(SCCn3cc([N+](=O)[O-])cn3)n2)o1 ZINC000348156976 475434493 /nfs/dbraw/zinc/43/44/93/475434493.db2.gz GRUBJGVQQDAQKJ-PLNGDYQASA-N 0 1 346.372 2.774 20 5 EFBDMN CCC(CC)[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)N1CCOCC1 ZINC000348179244 475459689 /nfs/dbraw/zinc/45/96/89/475459689.db2.gz NADWJDINRFBMDZ-MRXNPFEDSA-N 0 1 336.436 2.847 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3nccs3)CC2)c1[N+](=O)[O-] ZINC000331933502 475460256 /nfs/dbraw/zinc/46/02/56/475460256.db2.gz OHWOFHRTEZLOPQ-UHFFFAOYSA-N 0 1 349.416 2.918 20 5 EFBDMN CC(C)(NC(=O)c1csc(=NC2CC2)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000345801719 475463061 /nfs/dbraw/zinc/46/30/61/475463061.db2.gz FMXLOTVQJIEHRH-UHFFFAOYSA-N 0 1 346.412 2.713 20 5 EFBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2nc[nH]c2c1 ZINC000352625304 475469690 /nfs/dbraw/zinc/46/96/90/475469690.db2.gz FXBZHYPNNPXXOR-UHFFFAOYSA-N 0 1 325.328 2.912 20 5 EFBDMN O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)c(Cl)c1 ZINC000339756204 475473577 /nfs/dbraw/zinc/47/35/77/475473577.db2.gz CHAFWLOMKVHILM-JKSUJKDBSA-N 0 1 340.807 2.658 20 5 EFBDMN CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCC(C)(C)C1 ZINC000361471166 475476777 /nfs/dbraw/zinc/47/67/77/475476777.db2.gz XPUJVXXSBGGLBC-NSHDSACASA-N 0 1 349.387 2.773 20 5 EFBDMN Cc1csc([C@H]2COCCN2Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000331988737 475477647 /nfs/dbraw/zinc/47/76/47/475477647.db2.gz UNTSIPPXWUVJAI-CQSZACIVSA-N 0 1 335.385 2.639 20 5 EFBDMN Cc1noc([C@H](NCCc2ccc([N+](=O)[O-])cc2)C2CCOCC2)n1 ZINC000345825682 475486061 /nfs/dbraw/zinc/48/60/61/475486061.db2.gz YXIPTYVMKQSCFB-MRXNPFEDSA-N 0 1 346.387 2.586 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000296861950 475509793 /nfs/dbraw/zinc/50/97/93/475509793.db2.gz IECDRABJHKRDSS-LBPRGKRZSA-N 0 1 330.388 2.632 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)c1[N+](=O)[O-] ZINC000332095472 475510566 /nfs/dbraw/zinc/51/05/66/475510566.db2.gz DPTUPNTXFHDVFB-ZDUSSCGKSA-N 0 1 328.372 2.873 20 5 EFBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1cc(Br)cs1 ZINC000358264201 475541905 /nfs/dbraw/zinc/54/19/05/475541905.db2.gz HYYIRIYLANEPCP-UHFFFAOYSA-N 0 1 345.222 2.747 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@@](C)(c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000332182115 475546709 /nfs/dbraw/zinc/54/67/09/475546709.db2.gz VVFQKYRQLQKBQV-QGZVFWFLSA-N 0 1 328.372 2.739 20 5 EFBDMN Cc1c(CN[C@H](C)CS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000358307797 475577492 /nfs/dbraw/zinc/57/74/92/475577492.db2.gz IDWHDXRRMCSIDU-CYBMUJFWSA-N 0 1 348.424 2.855 20 5 EFBDMN CC(F)(F)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000297092580 475606675 /nfs/dbraw/zinc/60/66/75/475606675.db2.gz OALYKDWBRUGMDB-UHFFFAOYSA-N 0 1 328.724 2.572 20 5 EFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C2CCOCC2)C1 ZINC000332345597 475608559 /nfs/dbraw/zinc/60/85/59/475608559.db2.gz YEUIXQBCKHEFGX-HIFRSBDPSA-N 0 1 347.415 2.670 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000297119810 475618901 /nfs/dbraw/zinc/61/89/01/475618901.db2.gz YQXFCDHKHFQOGQ-CYBMUJFWSA-N 0 1 344.415 2.561 20 5 EFBDMN CCCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000342692543 475627492 /nfs/dbraw/zinc/62/74/92/475627492.db2.gz DQLLRMOQRBVFFT-UHFFFAOYSA-N 0 1 328.434 2.737 20 5 EFBDMN CCOC[C@@H](O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352797340 475633924 /nfs/dbraw/zinc/63/39/24/475633924.db2.gz QBQFLCFKZNEPRU-ZWKOTPCHSA-N 0 1 330.384 2.671 20 5 EFBDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000332490478 475652155 /nfs/dbraw/zinc/65/21/55/475652155.db2.gz ONZGLPCBJWADQC-DZGCQCFKSA-N 0 1 349.456 2.772 20 5 EFBDMN CC(C)c1nc2c(n1C)CCN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000332564550 475670230 /nfs/dbraw/zinc/67/02/30/475670230.db2.gz ANVAFMHMUUKADE-UHFFFAOYSA-N 0 1 330.388 2.716 20 5 EFBDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000332596730 475680928 /nfs/dbraw/zinc/68/09/28/475680928.db2.gz MCABOYQHCNQTKP-PBHICJAKSA-N 0 1 345.443 2.958 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000343000305 475687482 /nfs/dbraw/zinc/68/74/82/475687482.db2.gz LGFXDAYDILACGA-MRVPVSSYSA-N 0 1 337.767 2.981 20 5 EFBDMN C[C@H](C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000332631104 475693613 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CCC[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CCN1CCOC ZINC000346645223 475728733 /nfs/dbraw/zinc/72/87/33/475728733.db2.gz BLNCHIVEDLVPCK-CQSZACIVSA-N 0 1 325.384 2.671 20 5 EFBDMN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1C ZINC000297414581 475749262 /nfs/dbraw/zinc/74/92/62/475749262.db2.gz JBYUDGXLTLJPRR-AOOOYVTPSA-N 0 1 326.784 2.805 20 5 EFBDMN Cc1cccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(F)(F)F)c1 ZINC000358534189 475752852 /nfs/dbraw/zinc/75/28/52/475752852.db2.gz KZYIKCVYXVPMBB-NSHDSACASA-N 0 1 328.250 2.660 20 5 EFBDMN C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297544075 475801055 /nfs/dbraw/zinc/80/10/55/475801055.db2.gz JCZOLLYUXZDMGR-HEHGZKQESA-N 0 1 334.420 2.637 20 5 EFBDMN Cc1ccc2c(c1)CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000361843098 475801676 /nfs/dbraw/zinc/80/16/76/475801676.db2.gz OEDDREHQLMVICY-QGZVFWFLSA-N 0 1 342.395 2.701 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000338359522 475824450 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EFBDMN Cc1nc2ccc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2[nH]1 ZINC000358857793 475993481 /nfs/dbraw/zinc/99/34/81/475993481.db2.gz FHMJBKLEEQKBHK-UHFFFAOYSA-N 0 1 336.307 2.576 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1c1cccnc1 ZINC000346968626 475998553 /nfs/dbraw/zinc/99/85/53/475998553.db2.gz LGFGDRDQFBZKIL-CVEARBPZSA-N 0 1 343.383 2.567 20 5 EFBDMN CCn1cc(CN(CCO)C/C(C)=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC000355536060 476014985 /nfs/dbraw/zinc/01/49/85/476014985.db2.gz UKOWMYPQOHMGQD-DHDCSXOGSA-N 0 1 344.415 2.709 20 5 EFBDMN Cn1ccnc1[C@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000343391621 476015345 /nfs/dbraw/zinc/01/53/45/476015345.db2.gz DYLDPXZICGRSEN-KGLIPLIRSA-N 0 1 336.779 2.602 20 5 EFBDMN COCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000362165504 476044564 /nfs/dbraw/zinc/04/45/64/476044564.db2.gz UWFJDXGPTMYLOS-KBPBESRZSA-N 0 1 335.404 2.670 20 5 EFBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000343418468 476046845 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C[N@@H+](CCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000301636598 476172607 /nfs/dbraw/zinc/17/26/07/476172607.db2.gz IAAMSUSCCRINKQ-UHFFFAOYSA-N 0 1 344.371 2.622 20 5 EFBDMN CSc1cccc(C(=O)NCCN2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000362413240 476228935 /nfs/dbraw/zinc/22/89/35/476228935.db2.gz XHRAGEGSQAZHJD-UHFFFAOYSA-N 0 1 335.429 2.699 20 5 EFBDMN CC(=O)Nc1ccc(O)c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000350570038 476249881 /nfs/dbraw/zinc/24/98/81/476249881.db2.gz NAZSBPZEFWIKKZ-UHFFFAOYSA-N 0 1 340.295 2.976 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000353938332 476331135 /nfs/dbraw/zinc/33/11/35/476331135.db2.gz UACCEWIXAZJATB-MRXNPFEDSA-N 0 1 334.420 2.961 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000353938331 476331177 /nfs/dbraw/zinc/33/11/77/476331177.db2.gz UACCEWIXAZJATB-INIZCTEOSA-N 0 1 334.420 2.961 20 5 EFBDMN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357348697 476341266 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CCN1C[C@@H](C)N(C(=O)c2cccc(SC)c2[N+](=O)[O-])C[C@@H]1C ZINC000362829791 476430325 /nfs/dbraw/zinc/43/03/25/476430325.db2.gz YHSMGZWPQYGYPK-NWDGAFQWSA-N 0 1 337.445 2.871 20 5 EFBDMN CCOc1ccc(NC(=O)CN2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377534533 476439824 /nfs/dbraw/zinc/43/98/24/476439824.db2.gz UONNMBSOMDXKRI-OAHLLOKOSA-N 0 1 333.388 2.806 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000362850380 476439834 /nfs/dbraw/zinc/43/98/34/476439834.db2.gz BAMMIEHMSLXKBA-XJKSGUPXSA-N 0 1 334.420 2.637 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000360887720 476456615 /nfs/dbraw/zinc/45/66/15/476456615.db2.gz WVKNHLPUSALGDJ-QJPTWQEYSA-N 0 1 342.392 2.981 20 5 EFBDMN C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000351509284 476475265 /nfs/dbraw/zinc/47/52/65/476475265.db2.gz LDZMHXRQDQGRLI-UWVGGRQHSA-N 0 1 328.210 2.886 20 5 EFBDMN CO[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000363668742 476487308 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EFBDMN CN(C)c1ccccc1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000352345166 476651190 /nfs/dbraw/zinc/65/11/90/476651190.db2.gz JSFUUUFQURSQSR-UHFFFAOYSA-N 0 1 340.427 2.983 20 5 EFBDMN Cn1ccnc1[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000365632630 476655741 /nfs/dbraw/zinc/65/57/41/476655741.db2.gz SWKYKGKIFCYFGM-GFCCVEGCSA-N 0 1 341.371 2.849 20 5 EFBDMN C[C@@H](N=c1[nH]c2ccccc2cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000352362612 476662525 /nfs/dbraw/zinc/66/25/25/476662525.db2.gz WPOYWRFNTUUFEI-CHWSQXEVSA-N 0 1 342.399 2.766 20 5 EFBDMN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)N1C ZINC000354460610 476674063 /nfs/dbraw/zinc/67/40/63/476674063.db2.gz ZTUHJMIUGWLGPM-PHIMTYICSA-N 0 1 329.347 2.721 20 5 EFBDMN CC(C)(C(=O)N1CCN(C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429939211 476720003 /nfs/dbraw/zinc/72/00/03/476720003.db2.gz VNCAPDOTGZACPF-UHFFFAOYSA-N 0 1 345.443 2.959 20 5 EFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(CCOCC2)[C@@H]1C ZINC000375235603 476730494 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CCC(=O)c1ccc(O)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000436642289 477542797 /nfs/dbraw/zinc/54/27/97/477542797.db2.gz ALFMRPKFUINLEK-UHFFFAOYSA-N 0 1 344.323 2.911 20 5 EFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccccc1Br ZINC000371897824 477547417 /nfs/dbraw/zinc/54/74/17/477547417.db2.gz VGUXKNPSJRVHEI-RAIGVLPGSA-N 0 1 339.189 2.778 20 5 EFBDMN CC(=O)c1ccc(O)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000436859263 477617167 /nfs/dbraw/zinc/61/71/67/477617167.db2.gz AGUWHOCBSGHQBY-UHFFFAOYSA-N 0 1 343.339 2.944 20 5 EFBDMN CC(=O)c1ccc(O)c(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000436868448 477619172 /nfs/dbraw/zinc/61/91/72/477619172.db2.gz HHUKWBSNWFRZSA-UHFFFAOYSA-N 0 1 330.296 2.521 20 5 EFBDMN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436913168 477633587 /nfs/dbraw/zinc/63/35/87/477633587.db2.gz ZTTHPWXAHYRQIV-GFCCVEGCSA-N 0 1 335.404 2.541 20 5 EFBDMN CC(C)c1nc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC000413339514 477636510 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EFBDMN CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420959722 477857968 /nfs/dbraw/zinc/85/79/68/477857968.db2.gz QSFYNQLBLQZYEK-IYBDPMFKSA-N 0 1 335.404 2.813 20 5 EFBDMN Cc1c(NC(=O)CCN2CCOC[C@H]2C2CCC2)cccc1[N+](=O)[O-] ZINC000515840682 477867548 /nfs/dbraw/zinc/86/75/48/477867548.db2.gz WLFOCTULAGUACH-KRWDZBQOSA-N 0 1 347.415 2.733 20 5 EFBDMN CC[C@H]1CN(CC)CCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000456341429 477872342 /nfs/dbraw/zinc/87/23/42/477872342.db2.gz FKGILVPUSYPXGN-ZDUSSCGKSA-N 0 1 337.445 2.873 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000456372473 477895318 /nfs/dbraw/zinc/89/53/18/477895318.db2.gz HRQHJPSUQCVARD-CQSZACIVSA-N 0 1 344.415 2.561 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000456395136 477910248 /nfs/dbraw/zinc/91/02/48/477910248.db2.gz ZMBRUIYIMLIXRR-QWHCGFSZSA-N 0 1 337.395 2.780 20 5 EFBDMN CC(C)c1cc(NCCNc2ccc([N+](=O)[O-])cc2)nc(N(C)C)n1 ZINC000462920896 477923523 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EFBDMN COc1ccc(NC(=O)[C@H](C)N(C)CCCSC)c([N+](=O)[O-])c1 ZINC000439479663 477987900 /nfs/dbraw/zinc/98/79/00/477987900.db2.gz ANZDMWIQAZMWJT-NSHDSACASA-N 0 1 341.433 2.615 20 5 EFBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451409225 477997768 /nfs/dbraw/zinc/99/77/68/477997768.db2.gz AAWPRDRNTRJGHV-IARIHHJXSA-N 0 1 347.415 2.547 20 5 EFBDMN CO[C@]1(C)C[C@@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451481149 478041478 /nfs/dbraw/zinc/04/14/78/478041478.db2.gz AHHVCBSLRFEIPG-CXAGYDPISA-N 0 1 346.387 2.938 20 5 EFBDMN CO[C@@H]1C[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451490343 478047501 /nfs/dbraw/zinc/04/75/01/478047501.db2.gz HVDJVAWCDUVGAE-QWHCGFSZSA-N 0 1 332.360 2.548 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1n[nH]c(C(C)(C)C)n1 ZINC000459719957 478056830 /nfs/dbraw/zinc/05/68/30/478056830.db2.gz YQPLESIPNYTRME-UHFFFAOYSA-N 0 1 333.392 2.699 20 5 EFBDMN CC(=O)N[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000421398309 478074166 /nfs/dbraw/zinc/07/41/66/478074166.db2.gz YMTLCCXDPVMJTO-CQSZACIVSA-N 0 1 329.356 2.565 20 5 EFBDMN CO[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000451539200 478074341 /nfs/dbraw/zinc/07/43/41/478074341.db2.gz FGMBNTBKSWUKFV-FZMZJTMJSA-N 0 1 332.360 2.502 20 5 EFBDMN CO[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000451539200 478074349 /nfs/dbraw/zinc/07/43/49/478074349.db2.gz FGMBNTBKSWUKFV-FZMZJTMJSA-N 0 1 332.360 2.502 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H](c1ccco1)N(C)C ZINC000429204970 478079460 /nfs/dbraw/zinc/07/94/60/478079460.db2.gz KTRURJGXPMWEDQ-HNNXBMFYSA-N 0 1 347.371 2.998 20 5 EFBDMN CC(C)N1CC[C@H](N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451545524 478079866 /nfs/dbraw/zinc/07/98/66/478079866.db2.gz HPNZOTGLQFDKTR-RDJZCZTQSA-N 0 1 331.416 2.784 20 5 EFBDMN CC(C)CNC(=O)[C@@H](C)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547681 478082720 /nfs/dbraw/zinc/08/27/20/478082720.db2.gz LQFPFILSKFEQCZ-GDBMZVCRSA-N 0 1 333.432 2.935 20 5 EFBDMN O=C1[C@@H](N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CC1 ZINC000451549693 478084765 /nfs/dbraw/zinc/08/47/65/478084765.db2.gz QGAKCFUJMIFHTA-PBHICJAKSA-N 0 1 329.400 2.538 20 5 EFBDMN O=C(CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCCCC1 ZINC000451550012 478085382 /nfs/dbraw/zinc/08/53/82/478085382.db2.gz QKVLKJZDBCGXMK-INIZCTEOSA-N 0 1 331.416 2.787 20 5 EFBDMN CC(C)(NC[C@H](O)COc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429278112 478097319 /nfs/dbraw/zinc/09/73/19/478097319.db2.gz XIRTXKQTSVLLFA-AWEZNQCLSA-N 0 1 330.384 2.859 20 5 EFBDMN C[C@H]1CC[C@H](N(CCO)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429762832 478187900 /nfs/dbraw/zinc/18/79/00/478187900.db2.gz QUCVIPBHKHDHGF-WFASDCNBSA-N 0 1 346.387 2.628 20 5 EFBDMN Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 ZINC000535072223 478196409 /nfs/dbraw/zinc/19/64/09/478196409.db2.gz LABUKMVSAODXQO-UHFFFAOYSA-N 0 1 326.400 2.929 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)n[nH]1 ZINC000562354719 478237254 /nfs/dbraw/zinc/23/72/54/478237254.db2.gz GFEWCDRHFSDTOV-ZJUUUORDSA-N 0 1 346.391 2.759 20 5 EFBDMN CCO[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000590658532 478277107 /nfs/dbraw/zinc/27/71/07/478277107.db2.gz YHSRDZWKAHQLCF-WFASDCNBSA-N 0 1 336.388 2.613 20 5 EFBDMN CCO[C@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000590659595 478279827 /nfs/dbraw/zinc/27/98/27/478279827.db2.gz UUVIFWDWFRURAH-LRDDRELGSA-N 0 1 336.388 2.628 20 5 EFBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H](C)S1 ZINC000590673924 478284108 /nfs/dbraw/zinc/28/41/08/478284108.db2.gz YDDGGFLPEAXXOD-GHMZBOCLSA-N 0 1 346.412 2.951 20 5 EFBDMN C[C@@H]1CN(CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H](C)O1 ZINC000520254381 478291220 /nfs/dbraw/zinc/29/12/20/478291220.db2.gz UKQOMCMFCFNTMC-OKILXGFUSA-N 0 1 330.388 2.568 20 5 EFBDMN CCN1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC000590695554 478295174 /nfs/dbraw/zinc/29/51/74/478295174.db2.gz BTAQTDRLUSOVSB-LBPRGKRZSA-N 0 1 330.388 2.682 20 5 EFBDMN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000579470659 478305106 /nfs/dbraw/zinc/30/51/06/478305106.db2.gz OJAWUKQBPSXBIP-ZDUSSCGKSA-N 0 1 333.388 2.567 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(N2CN=NC2=O)CC1 ZINC000570270696 478323052 /nfs/dbraw/zinc/32/30/52/478323052.db2.gz GPWGHDYCQNXEPB-LBPRGKRZSA-N 0 1 331.376 2.598 20 5 EFBDMN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000590761466 478326351 /nfs/dbraw/zinc/32/63/51/478326351.db2.gz WAKHFAXHMMGUEO-NEPJUHHUSA-N 0 1 333.344 2.557 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000490300444 478327256 /nfs/dbraw/zinc/32/72/56/478327256.db2.gz OZNZDWIPGZGXRL-HNNXBMFYSA-N 0 1 339.823 2.589 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000490300444 478327260 /nfs/dbraw/zinc/32/72/60/478327260.db2.gz OZNZDWIPGZGXRL-HNNXBMFYSA-N 0 1 339.823 2.589 20 5 EFBDMN O=C([O-])C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000570292561 478331009 /nfs/dbraw/zinc/33/10/09/478331009.db2.gz CXZKBUCUNLHKMA-UHFFFAOYSA-N 0 1 345.355 2.731 20 5 EFBDMN CN1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590774976 478332174 /nfs/dbraw/zinc/33/21/74/478332174.db2.gz AQGBLUWIICFQKB-NVXWUHKLSA-N 0 1 331.416 2.785 20 5 EFBDMN O=C1[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H]2CCCCN12 ZINC000590780367 478334164 /nfs/dbraw/zinc/33/41/64/478334164.db2.gz COFJMWKLGAPBLG-RRQGHBQHSA-N 0 1 329.400 2.715 20 5 EFBDMN Cc1cc(CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000590806573 478348886 /nfs/dbraw/zinc/34/88/86/478348886.db2.gz XLXMXYQRHNYCOJ-AWEZNQCLSA-N 0 1 343.387 2.716 20 5 EFBDMN CCOc1ccc(C(=O)N2CCN(C(C)(C)CC)CC2)cc1[N+](=O)[O-] ZINC000594389495 478357162 /nfs/dbraw/zinc/35/71/62/478357162.db2.gz KHNTYEFZJAKZIH-UHFFFAOYSA-N 0 1 349.431 2.940 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](OC2CCC2)C1 ZINC000594390928 478358384 /nfs/dbraw/zinc/35/83/84/478358384.db2.gz YWCFXUCRWNXLKG-ZDUSSCGKSA-N 0 1 344.371 2.645 20 5 EFBDMN C[N@@H+](CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000521050365 478365272 /nfs/dbraw/zinc/36/52/72/478365272.db2.gz LHIUFLBWXLFXEU-UHFFFAOYSA-N 0 1 335.404 2.898 20 5 EFBDMN CC[C@@H](NCc1n[nH]c([C@@H]2CCCO2)n1)c1cccc([N+](=O)[O-])c1 ZINC000594507290 478417287 /nfs/dbraw/zinc/41/72/87/478417287.db2.gz CFTDGGLSWIAQOQ-KGLIPLIRSA-N 0 1 331.376 2.805 20 5 EFBDMN Cc1c([C@@H](C)NCc2n[nH]c([C@H]3CCCO3)n2)cccc1[N+](=O)[O-] ZINC000594511404 478419720 /nfs/dbraw/zinc/41/97/20/478419720.db2.gz MWPDAUBFUYXUEB-BXUZGUMPSA-N 0 1 331.376 2.724 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1n[nH]c([C@H]3CCCO3)n1)CCC2 ZINC000594510126 478420048 /nfs/dbraw/zinc/42/00/48/478420048.db2.gz HNUOCWQLGCYNAP-HUUCEWRRSA-N 0 1 343.387 2.732 20 5 EFBDMN CC1(C)CCN(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000570738178 478434705 /nfs/dbraw/zinc/43/47/05/478434705.db2.gz 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CC[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](CC)CO1 ZINC000593256564 479262966 /nfs/dbraw/zinc/26/29/66/479262966.db2.gz PJOKSHDZKZIESO-JQWIXIFHSA-N 0 1 332.360 2.501 20 5 EFBDMN Cc1cc(N[C@@H]2CCC[C@H]([S@](C)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596373531 479271092 /nfs/dbraw/zinc/27/10/92/479271092.db2.gz PNKBMNBUIKPGKH-GTVBZTTRSA-N 0 1 347.440 2.975 20 5 EFBDMN Cc1cc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596458313 479302679 /nfs/dbraw/zinc/30/26/79/479302679.db2.gz HLARQHLLHHKJKI-IUODEOHRSA-N 0 1 340.383 2.556 20 5 EFBDMN Cc1cc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596458317 479303040 /nfs/dbraw/zinc/30/30/40/479303040.db2.gz HLARQHLLHHKJKI-WFASDCNBSA-N 0 1 340.383 2.556 20 5 EFBDMN Cc1c(NC(=O)[C@@H](C)N2CCC3(CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000611178567 479303129 /nfs/dbraw/zinc/30/31/29/479303129.db2.gz XUQWXJMHNPTQOY-CQSZACIVSA-N 0 1 347.415 2.733 20 5 EFBDMN CCCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1F ZINC000611185013 479306467 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C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1(C)COC1 ZINC000599571733 479337191 /nfs/dbraw/zinc/33/71/91/479337191.db2.gz SUUMHTQQMFDOGZ-LLVKDONJSA-N 0 1 332.360 2.674 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC(OCCO)CC1 ZINC000602483658 479361081 /nfs/dbraw/zinc/36/10/81/479361081.db2.gz KMDQQOUQYOIQEU-UHFFFAOYSA-N 0 1 348.321 2.587 20 5 EFBDMN C[C@@H]1COCCN1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000603402140 479372323 /nfs/dbraw/zinc/37/23/23/479372323.db2.gz NBTDNGPZSNAGGZ-GFCCVEGCSA-N 0 1 339.823 2.938 20 5 EFBDMN C[C@@H](Cn1cccn1)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602508255 479373212 /nfs/dbraw/zinc/37/32/12/479373212.db2.gz LPYAEOCSICVYSI-JTQLQIEISA-N 0 1 328.294 2.988 20 5 EFBDMN CCOc1cc(N2CCC(N3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000603404443 479373659 /nfs/dbraw/zinc/37/36/59/479373659.db2.gz ZHGPPDXTCZXDQQ-CQSZACIVSA-N 0 1 349.431 2.683 20 5 EFBDMN C[C@H](COCC(F)(F)F)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602533489 479385800 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Cc1cnc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000177857735 534620354 /nfs/dbraw/zinc/62/03/54/534620354.db2.gz RODHBCXVTVTBHR-MRVPVSSYSA-N 0 1 331.357 2.727 20 5 EFBDMN CN(CCNC(=O)c1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177049061 522861889 /nfs/dbraw/zinc/86/18/89/522861889.db2.gz GIHFENKBSWUWML-UHFFFAOYSA-N 0 1 331.347 2.596 20 5 EFBDMN COc1cc(S(=O)(=O)Nc2cccc3[nH]ccc32)ccc1[N+](=O)[O-] ZINC000124840962 522898257 /nfs/dbraw/zinc/89/82/57/522898257.db2.gz XIMFNWFTQHNDBE-UHFFFAOYSA-N 0 1 347.352 2.886 20 5 EFBDMN C[C@@H]1CCC[C@@H](C)N(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000125220592 524273174 /nfs/dbraw/zinc/27/31/74/524273174.db2.gz ZGPPOCVPGQDHIQ-VXGBXAGGSA-N 0 1 349.387 2.773 20 5 EFBDMN COc1ccc(OCCN2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000120017118 524956957 /nfs/dbraw/zinc/95/69/57/524956957.db2.gz KOBZOQRXKMMCAI-HNNXBMFYSA-N 0 1 338.404 2.729 20 5 EFBDMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000120172570 525490162 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O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1 ZINC000178189711 527377523 /nfs/dbraw/zinc/37/75/23/527377523.db2.gz QSPMAONWWNWKHJ-UHFFFAOYSA-N 0 1 344.352 2.786 20 5 EFBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183378135 527395019 /nfs/dbraw/zinc/39/50/19/527395019.db2.gz QVRHXRUKZTYMDT-ZWKOTPCHSA-N 0 1 346.358 2.921 20 5 EFBDMN Nc1c(C(=O)N2CCN(CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000178180779 527424564 /nfs/dbraw/zinc/42/45/64/527424564.db2.gz HHUPCXIAHAXJGC-UHFFFAOYSA-N 0 1 346.431 2.515 20 5 EFBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000180591709 527567331 /nfs/dbraw/zinc/56/73/31/527567331.db2.gz HVEZJVBVHIFCDC-UHFFFAOYSA-N 0 1 348.269 2.638 20 5 EFBDMN CC1([C@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)OCCO1 ZINC000183871144 528058043 /nfs/dbraw/zinc/05/80/43/528058043.db2.gz VGVUVPISBZPNDU-LBPRGKRZSA-N 0 1 347.371 2.711 20 5 EFBDMN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccco1 ZINC000184331158 528244068 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C[C@@H](N[C@@H](CCO)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000754382055 575427932 /nfs/dbraw/zinc/42/79/32/575427932.db2.gz FBRWXYKZYWWQKM-RISCZKNCSA-N 0 1 349.412 2.697 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CCO)c1cccs1 ZINC000754384067 575429096 /nfs/dbraw/zinc/42/90/96/575429096.db2.gz GCOLGGQGTDCSNZ-LBPRGKRZSA-N 0 1 349.412 2.617 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CCO)c1cccs1 ZINC000754389174 575430324 /nfs/dbraw/zinc/43/03/24/575430324.db2.gz ZYZYMJWTFBMRGQ-AWEZNQCLSA-N 0 1 349.412 2.617 20 5 EFBDMN O=C(OCCCNc1ncnc2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000754740267 575481307 /nfs/dbraw/zinc/48/13/07/575481307.db2.gz KDTRFLWKFDIUGR-UHFFFAOYSA-N 0 1 341.327 2.525 20 5 EFBDMN C[NH+](C)Cc1ccccc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000759486242 575892977 /nfs/dbraw/zinc/89/29/77/575892977.db2.gz HJVRTZRJPADJSN-UHFFFAOYSA-N 0 1 349.412 2.598 20 5 EFBDMN CCN(CCC1CC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000760537811 576042194 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CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000766248711 577126783 /nfs/dbraw/zinc/12/67/83/577126783.db2.gz NEOLZISMZBBVOL-QWRGUYRKSA-N 0 1 325.796 2.803 20 5 EFBDMN CCC[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CCN1CCOC ZINC000766429604 577149336 /nfs/dbraw/zinc/14/93/36/577149336.db2.gz OECXYUUUYCFARH-ZDUSSCGKSA-N 0 1 325.384 2.671 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000766557576 577166614 /nfs/dbraw/zinc/16/66/14/577166614.db2.gz VUDIGJROYNGECH-WDEREUQCSA-N 0 1 325.796 2.803 20 5 EFBDMN Cn1cc([C@H](O)C[C@H]2CCCN2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000766954727 577189713 /nfs/dbraw/zinc/18/97/13/577189713.db2.gz PYCSXHNBAUKINX-CXAGYDPISA-N 0 1 348.378 2.556 20 5 EFBDMN O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cccc(-c2nnc[nH]2)c1 ZINC000767808485 577235644 /nfs/dbraw/zinc/23/56/44/577235644.db2.gz SVYUYQOGRJYMPZ-UHFFFAOYSA-N 0 1 342.286 2.876 20 5 EFBDMN C[C@@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000768815464 577305468 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CC(C)c1[nH]nc(C(=O)N(C)CCc2ccccc2F)c1[N+](=O)[O-] ZINC000771481769 581216323 /nfs/dbraw/zinc/21/63/23/581216323.db2.gz FQMMVNXKALUESO-UHFFFAOYSA-N 0 1 334.351 2.895 20 5 EFBDMN CCCNC(=O)c1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000771995542 581269130 /nfs/dbraw/zinc/26/91/30/581269130.db2.gz UZEXJPBJAFVARA-UHFFFAOYSA-N 0 1 343.339 2.693 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCS(=O)(=O)C(C)(C)C ZINC000772978270 581384865 /nfs/dbraw/zinc/38/48/65/581384865.db2.gz DZDIGDKQEZFZGV-LBPRGKRZSA-N 0 1 328.434 2.767 20 5 EFBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cccc(F)n1 ZINC000773095196 581396082 /nfs/dbraw/zinc/39/60/82/581396082.db2.gz KXMPJZASECDYAN-NSHDSACASA-N 0 1 332.335 2.636 20 5 EFBDMN O=C([O-])C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000821511852 598120131 /nfs/dbraw/zinc/12/01/31/598120131.db2.gz SLVPTGDSLDAXKL-UHFFFAOYSA-N 0 1 343.177 2.654 20 5 EFBDMN O=C([O-])/C=C\c1ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000739623437 599855453 /nfs/dbraw/zinc/85/54/53/599855453.db2.gz FJHJKXXNCNUQQD-KXQLTZBTSA-N 0 1 331.372 2.589 20 5 EFBDMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000827928746 601012790 /nfs/dbraw/zinc/01/27/90/601012790.db2.gz OTGBAFUYKKVVBE-GHMZBOCLSA-N 0 1 346.343 2.528 20 5 EFBDMN O=C([O-])c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000833314945 601309953 /nfs/dbraw/zinc/30/99/53/601309953.db2.gz MOTOMXAEZCKULN-UHFFFAOYSA-N 0 1 327.296 2.724 20 5 EFBDMN C[NH+](C)Cc1ccsc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000830624052 601558248 /nfs/dbraw/zinc/55/82/48/601558248.db2.gz PXYTULXJSBNTQN-UHFFFAOYSA-N 0 1 349.368 2.668 20 5 EFBDMN CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000828424978 601685808 /nfs/dbraw/zinc/68/58/08/601685808.db2.gz VSWOIWYOFNYMMA-BRDDXIKOSA-N 0 1 333.388 2.833 20 5 EFBDMN O=C([O-])c1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000833306596 602252520 /nfs/dbraw/zinc/25/25/20/602252520.db2.gz CZOYMBUSHZUIFI-VHSXEESVSA-N 0 1 339.779 2.985 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000832958449 604455841 /nfs/dbraw/zinc/45/58/41/604455841.db2.gz GBCDTCHDWZWALD-UHFFFAOYSA-N 0 1 349.387 2.561 20 5 EFBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000833553426 604675095 /nfs/dbraw/zinc/67/50/95/604675095.db2.gz DLHAVLHWBGGHKV-ZDUSSCGKSA-N 0 1 343.177 2.654 20 5 EFBDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000827022389 604797673 /nfs/dbraw/zinc/79/76/73/604797673.db2.gz UWLBCCPJTUNWHP-ZDUSSCGKSA-N 0 1 330.768 2.558 20 5 EFBDMN Cc1ccc([C@H](C)NCc2cc(-c3nn[nH]n3)cs2)cc1[N+](=O)[O-] ZINC000822229227 606485063 /nfs/dbraw/zinc/48/50/63/606485063.db2.gz PHLTWHZQVGCMKA-JTQLQIEISA-N 0 1 344.400 2.996 20 5 EFBDMN O=[N+]([O-])c1cc(F)cc(Oc2snc(Cl)c2-c2nn[nH]n2)c1 ZINC000826498233 608193128 /nfs/dbraw/zinc/19/31/28/608193128.db2.gz MHCNIFADAPTFGC-UHFFFAOYSA-N 0 1 342.699 2.816 20 5 EFBDMN COc1cccc([C@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000850433465 1250483974 /nfs/dbraw/zinc/48/39/74/1250483974.db2.gz JQQVLZFZVFEDQD-YVEFUNNKSA-N 0 1 346.383 2.996 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1COC2(CCCC2)O1 ZINC000850449323 1250489491 /nfs/dbraw/zinc/48/94/91/1250489491.db2.gz VMNLSRKQEBWIBL-TZMCWYRMSA-N 0 1 336.388 2.940 20 5 EFBDMN O=C(Cc1cccc([N+](=O)[O-])c1)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851468622 1251017098 /nfs/dbraw/zinc/01/70/98/1251017098.db2.gz MTYBNQXCRVOUFI-SFHVURJKSA-N 0 1 340.379 2.955 20 5 EFBDMN CN(CCN(C)c1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000730804457 1264442196 /nfs/dbraw/zinc/44/21/96/1264442196.db2.gz TVYOKYWUGQUXGI-UHFFFAOYSA-N 0 1 339.399 2.970 20 5 EFBDMN Cc1cccc(C)c1CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001128395902 1264601275 /nfs/dbraw/zinc/60/12/75/1264601275.db2.gz RHDBSJJITJCVCE-UHFFFAOYSA-N 0 1 347.440 2.722 20 5 EFBDMN COc1ccc(COC(=O)[C@@H](C)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000741029731 1269264196 /nfs/dbraw/zinc/26/41/96/1269264196.db2.gz RNEVVEGLKAJUBS-CYBMUJFWSA-N 0 1 336.388 2.911 20 5 EFBDMN O=[N+]([O-])c1ccc2cnn(CN3CCCC4(CCOCC4)C3)c2c1 ZINC000742159466 1269920088 /nfs/dbraw/zinc/92/00/88/1269920088.db2.gz RKXZXRBUDOWTSO-UHFFFAOYSA-N 0 1 330.388 2.795 20 5 EFBDMN CCN(CC)C(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000744196009 1270923143 /nfs/dbraw/zinc/92/31/43/1270923143.db2.gz SNUCPZRZHYGMNT-UHFFFAOYSA-N 0 1 331.328 2.624 20 5 EFBDMN Cc1ccoc1C(=O)NC[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001086308448 1270929893 /nfs/dbraw/zinc/92/98/93/1270929893.db2.gz YXNGYCBZSDTRHD-AULYBMBSSA-N 0 1 349.412 2.856 20 5 EFBDMN CC[C@H]1C[C@H](C)CN1Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000744441437 1271049572 /nfs/dbraw/zinc/04/95/72/1271049572.db2.gz PKRALQSNDXBTPS-ZFWWWQNUSA-N 0 1 344.415 2.934 20 5 EFBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N(Cc2ccccn2)Cc2ccccn2)C1 ZINC001169009747 1272582830 /nfs/dbraw/zinc/58/28/30/1272582830.db2.gz XXTTZGYNZDEUPL-MAUKXSAKSA-N 0 1 326.400 2.924 20 5 EFBDMN CCOC(=O)c1cc2c(s1)CCN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169033677 1272597262 /nfs/dbraw/zinc/59/72/62/1272597262.db2.gz DIIGLKYMBZXLGG-DGCLKSJQSA-N 0 1 338.429 2.728 20 5 EFBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC001169038329 1272605233 /nfs/dbraw/zinc/60/52/33/1272605233.db2.gz YDDUQFGHYPFUED-GWCFXTLKSA-N 0 1 329.322 2.904 20 5 EFBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ccc(F)cc3F)CC2)C1 ZINC001169038305 1272605949 /nfs/dbraw/zinc/60/59/49/1272605949.db2.gz XXJKVRXALDKRGT-GXTWGEPZSA-N 0 1 325.359 2.532 20 5 EFBDMN O=C(NCc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1)C1CC1 ZINC001034805052 1273008436 /nfs/dbraw/zinc/00/84/36/1273008436.db2.gz VCEGXRDUMBWZNT-UHFFFAOYSA-N 0 1 339.395 2.911 20 5 EFBDMN Cc1ncc(C(=O)N(C)CCCNc2ccc([N+](=O)[O-])c(C)c2)[nH]1 ZINC001109394713 1274229246 /nfs/dbraw/zinc/22/92/46/1274229246.db2.gz IPXACPIIAWUGOA-UHFFFAOYSA-N 0 1 331.376 2.509 20 5 EFBDMN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780652729 1274518190 /nfs/dbraw/zinc/51/81/90/1274518190.db2.gz QHLPPAMPFNXLQS-HWPZZCPQSA-N 0 1 348.330 2.682 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1COC(=O)c1cccc2[nH]ncc21 ZINC000785591595 1275122208 /nfs/dbraw/zinc/12/22/08/1275122208.db2.gz JFBKHQXDBIXCTM-UHFFFAOYSA-N 0 1 327.296 2.837 20 5 EFBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000787274374 1275743368 /nfs/dbraw/zinc/74/33/68/1275743368.db2.gz FZPYGPWLAQFNCH-UHFFFAOYSA-N 0 1 325.683 2.927 20 5 EFBDMN CN1CC(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC001170253884 1278973445 /nfs/dbraw/zinc/97/34/45/1278973445.db2.gz SJFROFBBEKPYKV-UHFFFAOYSA-N 0 1 328.372 2.542 20 5 EFBDMN CCCCOc1ncccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818975759 1276576024 /nfs/dbraw/zinc/57/60/24/1276576024.db2.gz VIGARJYGIYFIEC-QGZVFWFLSA-N 0 1 345.399 2.992 20 5 EFBDMN CCN(CCc1ccccn1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000746832188 1276820654 /nfs/dbraw/zinc/82/06/54/1276820654.db2.gz DDWFHCUMWUKBQE-UHFFFAOYSA-N 0 1 339.355 2.571 20 5 EFBDMN Nc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000819892492 1276938230 /nfs/dbraw/zinc/93/82/30/1276938230.db2.gz IOVNQHKNSCSUMF-MRXNPFEDSA-N 0 1 340.383 2.780 20 5 EFBDMN O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCN(C2CCOCC2)CC1 ZINC000820670661 1277273176 /nfs/dbraw/zinc/27/31/76/1277273176.db2.gz UORXMUJCZNPRDM-UHFFFAOYSA-N 0 1 343.786 2.688 20 5 EFBDMN Cc1noc(C)c1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC000585119443 1277378084 /nfs/dbraw/zinc/37/80/84/1277378084.db2.gz HVKMQNRZHOPUAH-UHFFFAOYSA-N 0 1 345.764 2.962 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CCN1CCCC1 ZINC000790265577 1277407610 /nfs/dbraw/zinc/40/76/10/1277407610.db2.gz DDNGEOSQYDUZRE-UHFFFAOYSA-N 0 1 341.795 2.567 20 5 EFBDMN CC(C)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000790376664 1277511500 /nfs/dbraw/zinc/51/15/00/1277511500.db2.gz VSVLFIACTIRFTD-IRXDYDNUSA-N 0 1 344.367 2.788 20 5 EFBDMN CC(C)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000790376660 1277512285 /nfs/dbraw/zinc/51/22/85/1277512285.db2.gz VSVLFIACTIRFTD-IAGOWNOFSA-N 0 1 344.367 2.788 20 5 EFBDMN Cc1c(CN[C@@H](C)C(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000790543306 1277655093 /nfs/dbraw/zinc/65/50/93/1277655093.db2.gz OMLGNWQRJAFQMA-AWEZNQCLSA-N 0 1 327.384 2.698 20 5 EFBDMN Cc1ccc(NCC(C)(C)CN(C)C(=O)c2ccn[nH]2)c([N+](=O)[O-])c1 ZINC001113409514 1277780926 /nfs/dbraw/zinc/78/09/26/1277780926.db2.gz NMYGBOAMLJKXCI-UHFFFAOYSA-N 0 1 345.403 2.837 20 5 EFBDMN Cc1cc2[nH]ncc2cc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000791055702 1277930891 /nfs/dbraw/zinc/93/08/91/1277930891.db2.gz OJXVVRJBTVQTBC-UHFFFAOYSA-N 0 1 344.302 2.936 20 5 EFBDMN COc1ccc(C[C@H](C)N2CCc3ncccc3C2)c([N+](=O)[O-])c1 ZINC001170345436 1279050097 /nfs/dbraw/zinc/05/00/97/1279050097.db2.gz KMUMIAYMTGCTIA-ZDUSSCGKSA-N 0 1 327.384 2.988 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844640436 1279161221 /nfs/dbraw/zinc/16/12/21/1279161221.db2.gz HUCGQNZGRGWADI-GMTAPVOTSA-N 0 1 325.796 2.801 20 5 EFBDMN COc1ccc(C[C@@H]2CCCCN2Cn2nccc2[N+](=O)[O-])cc1 ZINC000844737470 1279244279 /nfs/dbraw/zinc/24/42/79/1279244279.db2.gz DULPAEAOWUWKKE-HNNXBMFYSA-N 0 1 330.388 2.855 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793126064 1279371364 /nfs/dbraw/zinc/37/13/64/1279371364.db2.gz TZZUSAXFZZRWPU-UHFFFAOYSA-N 0 1 340.295 2.608 20 5 EFBDMN C[C@H]1CCCc2ncc(C(=O)OCc3cc(O)ccc3[N+](=O)[O-])n21 ZINC000845286369 1279536026 /nfs/dbraw/zinc/53/60/26/1279536026.db2.gz SLVHKMREGNFRSR-JTQLQIEISA-N 0 1 331.328 2.751 20 5 EFBDMN O=C(Nc1ccccc1COC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000845678866 1279763847 /nfs/dbraw/zinc/76/38/47/1279763847.db2.gz JUYCUQQGOMMXCJ-UHFFFAOYSA-N 0 1 329.312 2.628 20 5 EFBDMN O=C(OCc1ccccc1OC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000747139498 1279805687 /nfs/dbraw/zinc/80/56/87/1279805687.db2.gz BJMLQXHCAZPISD-ZDUSSCGKSA-N 0 1 346.339 2.838 20 5 EFBDMN Cc1nn(CN2CCOC[C@@H](C3CCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000793745793 1279860020 /nfs/dbraw/zinc/86/00/20/1279860020.db2.gz TZENKRPIMAHQOC-HNNXBMFYSA-N 0 1 344.415 2.959 20 5 EFBDMN Cc1cc(CC(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000815218533 1287386007 /nfs/dbraw/zinc/38/60/07/1287386007.db2.gz SVELSUNUYGZPQG-UHFFFAOYSA-N 0 1 343.261 2.931 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000846282686 1280096949 /nfs/dbraw/zinc/09/69/49/1280096949.db2.gz BXYFWCPHERWBQB-DYVFJYSZSA-N 0 1 334.372 2.680 20 5 EFBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000872048216 1287411794 /nfs/dbraw/zinc/41/17/94/1287411794.db2.gz HLUMMVDBFFEPJB-VXGBXAGGSA-N 0 1 337.445 2.977 20 5 EFBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(S(C)(=O)=O)CC1 ZINC000872070448 1287419838 /nfs/dbraw/zinc/41/98/38/1287419838.db2.gz ZYYUPKBZDIMFOB-JTQLQIEISA-N 0 1 344.458 2.545 20 5 EFBDMN CC1(C)CC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000805110464 1280442472 /nfs/dbraw/zinc/44/24/72/1280442472.db2.gz VNXXGCKVNHAIPQ-JTQLQIEISA-N 0 1 336.772 2.854 20 5 EFBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)C1(F)CCCCC1 ZINC001146655987 1280961407 /nfs/dbraw/zinc/96/14/07/1280961407.db2.gz RUYFLYDMMAOEHR-UHFFFAOYSA-N 0 1 329.397 2.535 20 5 EFBDMN CC/C=C(\C)C(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147106728 1281108039 /nfs/dbraw/zinc/10/80/39/1281108039.db2.gz YPRWKZIJJJULPJ-SYZQJQIISA-N 0 1 343.427 2.985 20 5 EFBDMN CCCc1occc1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001147748123 1281263254 /nfs/dbraw/zinc/26/32/54/1281263254.db2.gz IINXWYAPQCNKEO-UHFFFAOYSA-N 0 1 331.372 2.660 20 5 EFBDMN Cc1oc(C)c(C(=O)NCCNCc2ccccc2[N+](=O)[O-])c1C ZINC001131043326 1281414121 /nfs/dbraw/zinc/41/41/21/1281414121.db2.gz DKRFMVODQURRSE-UHFFFAOYSA-N 0 1 331.372 2.633 20 5 EFBDMN CCOC1CC(N(C)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000808213991 1281604870 /nfs/dbraw/zinc/60/48/70/1281604870.db2.gz WDGKAJJBGZQPLK-UHFFFAOYSA-N 0 1 330.388 2.915 20 5 EFBDMN CN1CCN(c2cccnc2Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001175735887 1287533037 /nfs/dbraw/zinc/53/30/37/1287533037.db2.gz SLGSSZZNSYOEJU-UHFFFAOYSA-N 0 1 331.351 2.624 20 5 EFBDMN CC(C)(CC(=O)NCCNCc1csc([N+](=O)[O-])c1)CC(F)F ZINC001131494463 1281948711 /nfs/dbraw/zinc/94/87/11/1281948711.db2.gz SRADSFVAFPEIMG-UHFFFAOYSA-N 0 1 349.403 2.934 20 5 EFBDMN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccn(-c3ccccc3)n2)cc1 ZINC000809732823 1282411366 /nfs/dbraw/zinc/41/13/66/1282411366.db2.gz LGNUZVLZYBLGLE-SFHVURJKSA-N 0 1 338.367 2.604 20 5 EFBDMN CCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000809915542 1282564084 /nfs/dbraw/zinc/56/40/84/1282564084.db2.gz QOOMXJOWCISLCV-JTQLQIEISA-N 0 1 326.784 2.806 20 5 EFBDMN CCC(N)=NOCc1cc(I)cc([N+](=O)[O-])c1 ZINC000809994316 1282727187 /nfs/dbraw/zinc/72/71/87/1282727187.db2.gz SBHRJMNIHISBIX-UHFFFAOYSA-N 0 1 349.128 2.608 20 5 EFBDMN O=C(NC1CC1)OC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000810036663 1282798065 /nfs/dbraw/zinc/79/80/65/1282798065.db2.gz MPVIPEYPMBVEAC-MRXNPFEDSA-N 0 1 333.388 2.838 20 5 EFBDMN C[C@H](NCc1cccc2c1OCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593320 1287620212 /nfs/dbraw/zinc/62/02/12/1287620212.db2.gz JIIMBKNUQOAEQD-NSHDSACASA-N 0 1 329.356 2.799 20 5 EFBDMN C[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596575 1287622493 /nfs/dbraw/zinc/62/24/93/1287622493.db2.gz YAPMACXULWLGKX-BLLLJJGKSA-N 0 1 346.431 2.761 20 5 EFBDMN C[C@H]1COCCN1CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811487503 1284346422 /nfs/dbraw/zinc/34/64/22/1284346422.db2.gz ZAZBIOQKGSSPDS-JTQLQIEISA-N 0 1 348.230 2.712 20 5 EFBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H](O)COCC1CC1 ZINC000811477104 1284362677 /nfs/dbraw/zinc/36/26/77/1284362677.db2.gz FRJDMHMXPFVEHS-LBPRGKRZSA-N 0 1 349.214 2.779 20 5 EFBDMN Cc1n[nH]c(C(C)C)c1C(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093851683 1284563840 /nfs/dbraw/zinc/56/38/40/1284563840.db2.gz JJRZTXAMDQKGJN-UHFFFAOYSA-N 0 1 349.366 2.731 20 5 EFBDMN CCOC(=O)/C(=C/c1cc(O)ccc1[N+](=O)[O-])c1ccnc(F)c1 ZINC000812247462 1284999613 /nfs/dbraw/zinc/99/96/13/1284999613.db2.gz NFCYTQQKWNLYIE-MDWZMJQESA-N 0 1 332.287 2.938 20 5 EFBDMN C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nnc[nH]1 ZINC000813468969 1285937775 /nfs/dbraw/zinc/93/77/75/1285937775.db2.gz ZIHIZDJAKWSQCI-YFKPBYRVSA-N 0 1 330.131 2.511 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[C@](O)(CF)[C@@H](F)C1)CC2 ZINC001172904560 1286308987 /nfs/dbraw/zinc/30/89/87/1286308987.db2.gz OMHHWFMXFGNYGG-PVAVHDDUSA-N 0 1 340.370 2.587 20 5 EFBDMN O=[N+]([O-])c1cc(F)c(N2CCC(N3CC[C@@H](F)C3)CC2)c(F)c1 ZINC001173009521 1286382173 /nfs/dbraw/zinc/38/21/73/1286382173.db2.gz DNBURVITWDLIOB-SNVBAGLBSA-N 0 1 329.322 2.886 20 5 EFBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1cccc2cc[nH]c21 ZINC001134154145 1286383589 /nfs/dbraw/zinc/38/35/89/1286383589.db2.gz VTWMVZNYRVJKGI-UHFFFAOYSA-N 0 1 338.367 2.596 20 5 EFBDMN CCn1ccc(CN[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])n1 ZINC001173180062 1286454952 /nfs/dbraw/zinc/45/49/52/1286454952.db2.gz SNWZLOITUNHPPR-LLVKDONJSA-N 0 1 336.367 2.680 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@](C)(O)[C@@H](C)C2)c1F ZINC001173182771 1286456174 /nfs/dbraw/zinc/45/61/74/1286456174.db2.gz TWBOBQMCIZMQEB-PRXAMGSTSA-N 0 1 340.395 2.766 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)Cc2cnn(C)c2)c1F ZINC001173183815 1286456183 /nfs/dbraw/zinc/45/61/83/1286456183.db2.gz JOQCGYIOTKZOKS-NSHDSACASA-N 0 1 336.367 2.539 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@H](OC)C2)c1F ZINC001173184529 1286456246 /nfs/dbraw/zinc/45/62/46/1286456246.db2.gz NTZHATLSVWMIBE-NEPJUHHUSA-N 0 1 326.368 2.784 20 5 EFBDMN COC[C@@H]1CCCN1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182765 1286456345 /nfs/dbraw/zinc/45/63/45/1286456345.db2.gz TVKIXWNOPWLLBZ-RYUDHWBXSA-N 0 1 326.368 2.784 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)Cc2cnc(C)nc2)c1F ZINC001173193141 1286458832 /nfs/dbraw/zinc/45/88/32/1286458832.db2.gz QPXDPKGEBHLHIA-NSHDSACASA-N 0 1 348.378 2.904 20 5 EFBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2nccs2)CC1 ZINC001173229281 1286481690 /nfs/dbraw/zinc/48/16/90/1286481690.db2.gz SFOVHVGBQKNYEU-CYBMUJFWSA-N 0 1 332.429 2.805 20 5 EFBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccncc2)CC1 ZINC001173228579 1286482314 /nfs/dbraw/zinc/48/23/14/1286482314.db2.gz XSLGPKVLSAUWNP-MRXNPFEDSA-N 0 1 340.427 2.739 20 5 EFBDMN CCOC(=O)[C@H]1CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC001173233441 1286483994 /nfs/dbraw/zinc/48/39/94/1286483994.db2.gz WOURNJZGHYXRMH-SWLSCSKDSA-N 0 1 338.429 2.506 20 5 EFBDMN Cc1ccc(C(=O)NCCNCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001134302672 1286543440 /nfs/dbraw/zinc/54/34/40/1286543440.db2.gz WSENWLSOQQXSIQ-UHFFFAOYSA-N 0 1 331.347 2.562 20 5 EFBDMN CC(C)(C)c1nnc(COC(=O)CCOc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000814440855 1286594795 /nfs/dbraw/zinc/59/47/95/1286594795.db2.gz SMJXWEZBZDFALO-UHFFFAOYSA-N 0 1 348.359 2.523 20 5 EFBDMN CC(C)(C)c1nc(COC(=O)CCOc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000814440855 1286594799 /nfs/dbraw/zinc/59/47/99/1286594799.db2.gz SMJXWEZBZDFALO-UHFFFAOYSA-N 0 1 348.359 2.523 20 5 EFBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1ccc2cc[nH]c2c1 ZINC001134381531 1286626787 /nfs/dbraw/zinc/62/67/87/1286626787.db2.gz QXMBVQGFLLSHKR-UHFFFAOYSA-N 0 1 338.367 2.596 20 5 EFBDMN CCc1ccc(CC(=O)NCCNCc2ccccc2[N+](=O)[O-])cc1 ZINC001134494718 1286814743 /nfs/dbraw/zinc/81/47/43/1286814743.db2.gz FVZPJMQXZSXRRB-UHFFFAOYSA-N 0 1 341.411 2.606 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000903441919 1312687540 /nfs/dbraw/zinc/68/75/40/1312687540.db2.gz HEPQNDWDUIRVNU-XNAIMREJSA-N 0 1 328.368 2.912 20 5 EFBDMN CC(C)[C@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C ZINC000803494229 1312710645 /nfs/dbraw/zinc/71/06/45/1312710645.db2.gz ZSADBBVIRPHWNY-OAHLLOKOSA-N 0 1 347.371 2.879 20 5 EFBDMN Cc1[nH]ncc1C1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823945072 1289497623 /nfs/dbraw/zinc/49/76/23/1289497623.db2.gz KOFVOGWLCCRWLJ-UHFFFAOYSA-N 0 1 344.375 2.620 20 5 EFBDMN Cc1c(CNCc2cccc(CS(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000873030606 1289530687 /nfs/dbraw/zinc/53/06/87/1289530687.db2.gz IYSMRJJCLFSPJT-UHFFFAOYSA-N 0 1 348.424 2.738 20 5 EFBDMN C[C@H](NCc1cc(Br)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC000824462798 1289674715 /nfs/dbraw/zinc/67/47/15/1289674715.db2.gz ORBRVYIKXSIYDY-VIFPVBQESA-N 0 1 339.193 2.942 20 5 EFBDMN CC(C)c1n[nH]c(COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000795527124 1289831236 /nfs/dbraw/zinc/83/12/36/1289831236.db2.gz TXLXUAGULZUDTO-VIFPVBQESA-N 0 1 336.323 2.822 20 5 EFBDMN CC(C)c1nc(COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000795527124 1289831248 /nfs/dbraw/zinc/83/12/48/1289831248.db2.gz TXLXUAGULZUDTO-VIFPVBQESA-N 0 1 336.323 2.822 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000876542409 1290938377 /nfs/dbraw/zinc/93/83/77/1290938377.db2.gz UUKUQWMLHBRBOV-INIZCTEOSA-N 0 1 333.432 2.508 20 5 EFBDMN Cc1c(C[N@H+]2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000877773819 1291368759 /nfs/dbraw/zinc/36/87/59/1291368759.db2.gz YZNYZMXJWZAVOC-AWEZNQCLSA-N 0 1 345.321 2.546 20 5 EFBDMN COC(=O)CC[C@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000877818866 1291391498 /nfs/dbraw/zinc/39/14/98/1291391498.db2.gz QVIIMZLADYJKNK-CYBMUJFWSA-N 0 1 336.388 2.769 20 5 EFBDMN COC[C@@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878104682 1291498294 /nfs/dbraw/zinc/49/82/94/1291498294.db2.gz ZUQPFZMJPYSEFG-GFCCVEGCSA-N 0 1 332.360 2.503 20 5 EFBDMN CSC[C@@H]1CCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878200338 1291552784 /nfs/dbraw/zinc/55/27/84/1291552784.db2.gz NKYIWVNJQUOVCP-NSHDSACASA-N 0 1 334.401 2.972 20 5 EFBDMN CCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795877091 1291579186 /nfs/dbraw/zinc/57/91/86/1291579186.db2.gz WWEPZDKEIAINRY-UHFFFAOYSA-N 0 1 336.772 2.856 20 5 EFBDMN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CCC1 ZINC000795896711 1291660766 /nfs/dbraw/zinc/66/07/66/1291660766.db2.gz FLDNVOVFFHFGLM-SSDOTTSWSA-N 0 1 336.772 2.854 20 5 EFBDMN N[C@H]1CCN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1(F)F ZINC001166960043 1312872368 /nfs/dbraw/zinc/87/23/68/1312872368.db2.gz GMMFRFXITYXFRT-JTQLQIEISA-N 0 1 342.733 2.969 20 5 EFBDMN CCOc1ccc(NC(=O)CN2C[C@@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879529423 1292173205 /nfs/dbraw/zinc/17/32/05/1292173205.db2.gz MYYVGAYLIPGLPK-OKILXGFUSA-N 0 1 345.399 2.830 20 5 EFBDMN COCCN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000879708714 1292237516 /nfs/dbraw/zinc/23/75/16/1292237516.db2.gz ZHOJMHQJUDGPQU-UHFFFAOYSA-N 0 1 328.796 2.876 20 5 EFBDMN COCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000879708560 1292237936 /nfs/dbraw/zinc/23/79/36/1292237936.db2.gz XKIDMFVQAPTQRY-UHFFFAOYSA-N 0 1 328.796 2.876 20 5 EFBDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000879919701 1292312511 /nfs/dbraw/zinc/31/25/11/1292312511.db2.gz QDCMXQQORIKMOX-SJCJKPOMSA-N 0 1 342.399 2.685 20 5 EFBDMN C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233856457 1313005124 /nfs/dbraw/zinc/00/51/24/1313005124.db2.gz AERVJJLZVKEENO-DZGCQCFKSA-N 0 1 328.372 2.989 20 5 EFBDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC000885254199 1294370997 /nfs/dbraw/zinc/37/09/97/1294370997.db2.gz NIQLPFXONHNJOO-RFAUZJTJSA-N 0 1 333.319 2.866 20 5 EFBDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000885262030 1294373708 /nfs/dbraw/zinc/37/37/08/1294373708.db2.gz YLKJPXGFCORGBI-PSLIRLAXSA-N 0 1 333.319 2.866 20 5 EFBDMN O=[N+]([O-])c1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn21 ZINC000137627574 1294845546 /nfs/dbraw/zinc/84/55/46/1294845546.db2.gz OVBNLQFVNWHQPU-UHFFFAOYSA-N 0 1 337.383 2.565 20 5 EFBDMN CCN1CCC(Oc2c(C(C)=O)ccc(NC(C)=O)c2[N+](=O)[O-])CC1 ZINC001234681040 1313182168 /nfs/dbraw/zinc/18/21/68/1313182168.db2.gz GYRFYBBMPOSUAO-UHFFFAOYSA-N 0 1 349.387 2.619 20 5 EFBDMN C[C@H](C[N+](C)(C)C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234741457 1313187782 /nfs/dbraw/zinc/18/77/82/1313187782.db2.gz IKORLEDGHOJZFO-LLVKDONJSA-O 0 1 344.387 2.831 20 5 EFBDMN C[N@@H+]1CCC[C@@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234876637 1313201988 /nfs/dbraw/zinc/20/19/88/1313201988.db2.gz ICMQQFJHSCIPOZ-SECBINFHSA-N 0 1 331.166 2.536 20 5 EFBDMN C[N@H+]1CCC[C@@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234876637 1313201992 /nfs/dbraw/zinc/20/19/92/1313201992.db2.gz ICMQQFJHSCIPOZ-SECBINFHSA-N 0 1 331.166 2.536 20 5 EFBDMN CC[NH+]1CCC(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])CC1 ZINC001234877664 1313202198 /nfs/dbraw/zinc/20/21/98/1313202198.db2.gz PSUSVNHKTRCVDL-UHFFFAOYSA-N 0 1 345.193 2.926 20 5 EFBDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000005277086 1296238572 /nfs/dbraw/zinc/23/85/72/1296238572.db2.gz XTVTYIMMJFWIRC-UHFFFAOYSA-N 0 1 337.313 2.612 20 5 EFBDMN C[C@@H](NC(=O)CN(C)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000928247439 1297086750 /nfs/dbraw/zinc/08/67/50/1297086750.db2.gz WJXGHCGMBZEECT-OAHLLOKOSA-N 0 1 341.411 2.947 20 5 EFBDMN COc1ccc(CN(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000776270262 1297324067 /nfs/dbraw/zinc/32/40/67/1297324067.db2.gz BHASTNKTBGOKIX-QGZVFWFLSA-N 0 1 346.383 2.777 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCn2cccc2C1 ZINC000932527976 1297429672 /nfs/dbraw/zinc/42/96/72/1297429672.db2.gz PYZCQPZLNJXMKO-UHFFFAOYSA-N 0 1 328.372 2.549 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCn2c(cnc2C(F)(F)F)C1 ZINC000932582300 1297435267 /nfs/dbraw/zinc/43/52/67/1297435267.db2.gz DBFURUXWYZZTDQ-UHFFFAOYSA-N 0 1 342.277 2.532 20 5 EFBDMN O=C(Nc1ccc2nc[nH]c2c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778249935 1297560063 /nfs/dbraw/zinc/56/00/63/1297560063.db2.gz HTASNUIGBRNTOD-UHFFFAOYSA-N 0 1 340.324 2.728 20 5 EFBDMN Cc1nn(CN2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000779868475 1298981355 /nfs/dbraw/zinc/98/13/55/1298981355.db2.gz SSRZHMTUAJSJMF-CABCVRRESA-N 0 1 343.431 2.652 20 5 EFBDMN Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000851885857 1299449838 /nfs/dbraw/zinc/44/98/38/1299449838.db2.gz MRJCZAUYRYVZJP-DOTOQJQBSA-N 0 1 348.378 2.556 20 5 EFBDMN Cc1nn(CN2CCN(Cc3ccccc3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000111172026 1300049731 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EFBDMN CSc1ccc([N+](=O)[O-])c(C(=O)OCc2n[nH]c(C(C)C)n2)c1 ZINC000795272930 1300563185 /nfs/dbraw/zinc/56/31/85/1300563185.db2.gz PVDIYULYIUVOPC-UHFFFAOYSA-N 0 1 336.373 2.915 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000748271398 1313845257 /nfs/dbraw/zinc/84/52/57/1313845257.db2.gz HHRRHOYXHHUOCH-AWEZNQCLSA-N 0 1 339.823 2.939 20 5 EFBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC000794609875 1302854130 /nfs/dbraw/zinc/85/41/30/1302854130.db2.gz MLXAGBLYLIWXFE-UHFFFAOYSA-N 0 1 347.302 2.867 20 5 EFBDMN C[C@@]1(O)CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000794671481 1302891013 /nfs/dbraw/zinc/89/10/13/1302891013.db2.gz BIRSPQDLSCXDKY-QGZVFWFLSA-N 0 1 330.388 2.653 20 5 EFBDMN CC[C@H](CSC)N(C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091024330 1302896554 /nfs/dbraw/zinc/89/65/54/1302896554.db2.gz HKTWVVDUYGMBTD-CYBMUJFWSA-N 0 1 335.433 2.884 20 5 EFBDMN CC[C@@H](CSC)N(C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091024329 1302896972 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Cc1ccc([C@@H](C)CNC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)cc1 ZINC000867950741 1304037617 /nfs/dbraw/zinc/03/76/17/1304037617.db2.gz ZXIXGTHIICPHBO-LIRRHRJNSA-N 0 1 341.411 2.997 20 5 EFBDMN C[C@@](N)(C(=O)NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867952718 1304040258 /nfs/dbraw/zinc/04/02/58/1304040258.db2.gz DNBWQPOBQZWUEZ-SFHVURJKSA-N 0 1 327.384 2.518 20 5 EFBDMN CS[C@@H]1CCC[C@@H](NC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000867953132 1304040965 /nfs/dbraw/zinc/04/09/65/1304040965.db2.gz NRTQUVVWLKHZOF-XNRPHZJLSA-N 0 1 337.445 2.559 20 5 EFBDMN Cc1cc(C)cc(CCNC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)c1 ZINC000867953906 1304041222 /nfs/dbraw/zinc/04/12/22/1304041222.db2.gz DMJZLNGQVSYASM-LJQANCHMSA-N 0 1 341.411 2.744 20 5 EFBDMN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867956799 1304043690 /nfs/dbraw/zinc/04/36/90/1304043690.db2.gz UFYOVFSNIMUQSF-LZWOXQAQSA-N 0 1 337.445 2.559 20 5 EFBDMN C[C@@](N)(C(=O)NC[C@H]1C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 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O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1CN2CCC1CC2 ZINC001226789145 1311723454 /nfs/dbraw/zinc/72/34/54/1311723454.db2.gz JKIGKQGDQDRMPD-CYBMUJFWSA-N 0 1 327.178 2.830 20 5 EFBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2CC(F)(F)C2(F)F)[nH]1 ZINC001227096888 1311761816 /nfs/dbraw/zinc/76/18/16/1311761816.db2.gz VAKFNWOVYKUDJS-MRVPVSSYSA-N 0 1 333.197 2.665 20 5 EFBDMN O=C(CCCF)NCCC1=CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001160896576 1311805128 /nfs/dbraw/zinc/80/51/28/1311805128.db2.gz UNBHIYADGNCGBE-UHFFFAOYSA-N 0 1 349.406 2.983 20 5 EFBDMN O=c1[nH]c(C2CC2)nc(OC[C@@H]2CCc3ccccc3O2)c1[N+](=O)[O-] ZINC001228605716 1311969003 /nfs/dbraw/zinc/96/90/03/1311969003.db2.gz LMFWSAVQIJFWNT-LBPRGKRZSA-N 0 1 343.339 2.740 20 5 EFBDMN O=[N+]([O-])c1cncnc1O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001228655258 1311976432 /nfs/dbraw/zinc/97/64/32/1311976432.db2.gz PWCNJOGXINSWJB-QLPKVWCKSA-N 0 1 340.383 2.674 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCc3cccnc32)cc1O ZINC001228814205 1312003923 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CCOC(=O)CN(C1CCCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611997 1315731932 /nfs/dbraw/zinc/73/19/32/1315731932.db2.gz UJXWBDZKRBPIBB-KRWDZBQOSA-N 0 1 332.400 2.870 20 5 EFBDMN COc1cc(N2CCC(N3CCC(=O)C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094377 1315904234 /nfs/dbraw/zinc/90/42/34/1315904234.db2.gz YWQOQZNKDVPBIG-CYBMUJFWSA-N 0 1 347.415 2.626 20 5 EFBDMN COc1cc(N2CCC([N@H+]3CCC[C@H]3C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC001256103592 1315905022 /nfs/dbraw/zinc/90/50/22/1315905022.db2.gz NWBYZVCKUYKFLS-INIZCTEOSA-N 0 1 347.415 2.626 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC2CCC1CC2 ZINC001261262069 1316399370 /nfs/dbraw/zinc/39/93/70/1316399370.db2.gz KYCKCSLIPJJBJG-UHFFFAOYSA-N 0 1 326.356 3.000 20 5 EFBDMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001261890521 1316436603 /nfs/dbraw/zinc/43/66/03/1316436603.db2.gz GKWKYMJFEKBZMV-KRWDZBQOSA-N 0 1 342.351 2.787 20 5 EFBDMN CC(C)(C)N1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001319443568 1328887339 /nfs/dbraw/zinc/88/73/39/1328887339.db2.gz QCAQQYLGBBHZIY-UHFFFAOYSA-N 0 1 333.432 2.815 20 5 EFBDMN C[C@H](C(=O)N1CCN(C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001320125013 1329090523 /nfs/dbraw/zinc/09/05/23/1329090523.db2.gz PMNOYJSDPOPUQX-LBPRGKRZSA-N 0 1 337.395 2.780 20 5 EFBDMN Cc1ccnc(NC[C@@H]2CCCC[C@@H]2N2CCOCC2)c1[N+](=O)[O-] ZINC001307209500 1324750417 /nfs/dbraw/zinc/75/04/17/1324750417.db2.gz CQAVUNXEAMJFGV-GJZGRUSLSA-N 0 1 334.420 2.601 20 5 EFBDMN CS[C@@H]1CC[C@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC001322743525 1329484732 /nfs/dbraw/zinc/48/47/32/1329484732.db2.gz FESCDIYIWPJVIV-VHSXEESVSA-N 0 1 326.422 2.797 20 5 EFBDMN C[C@@H](COc1ccccc1F)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001325075390 1329669159 /nfs/dbraw/zinc/66/91/59/1329669159.db2.gz YRFYPSVJNKODAO-JTQLQIEISA-N 0 1 334.303 2.637 20 5 EFBDMN COc1ccc(NC(=O)c2ccc3cncn3c2C)c([N+](=O)[O-])c1 ZINC001325200629 1329674838 /nfs/dbraw/zinc/67/48/38/1329674838.db2.gz LUWYSYOHAKBLIA-UHFFFAOYSA-N 0 1 326.312 2.812 20 5 EFBDMN CC[C@H]1CN(C)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327674460 1330507363 /nfs/dbraw/zinc/50/73/63/1330507363.db2.gz NRRKJGOFWFUZBG-JTQLQIEISA-N 0 1 335.795 2.722 20 5 EFBDMN CC[C@@H]1CN(C)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327674463 1330507382 /nfs/dbraw/zinc/50/73/82/1330507382.db2.gz NRRKJGOFWFUZBG-SNVBAGLBSA-N 0 1 335.795 2.722 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@](O)(C2CC2)C1 ZINC001332999539 1331062018 /nfs/dbraw/zinc/06/20/18/1331062018.db2.gz KZZMZMOTONYIBQ-CQSZACIVSA-N 0 1 330.306 2.960 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@H]3OCCC[C@H]3C2)o1 ZINC001333018683 1331066533 /nfs/dbraw/zinc/06/65/33/1331066533.db2.gz FFDHZBRVKUTDQD-SWLSCSKDSA-N 0 1 344.371 2.646 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@@H]3OCCC[C@@H]3C2)o1 ZINC001333018679 1331066989 /nfs/dbraw/zinc/06/69/89/1331066989.db2.gz FFDHZBRVKUTDQD-DOMZBBRYSA-N 0 1 344.371 2.646 20 5 EFBDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001333102037 1331078502 /nfs/dbraw/zinc/07/85/02/1331078502.db2.gz ZIABHGIWXCRNHG-BZNIZROVSA-N 0 1 340.383 2.569 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2CCCc3nn[nH]c32)n1 ZINC001333659488 1331189415 /nfs/dbraw/zinc/18/94/15/1331189415.db2.gz ZHDACWYEDZWFET-JTQLQIEISA-N 0 1 340.343 2.848 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CCN(C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC001334169006 1331259668 /nfs/dbraw/zinc/25/96/68/1331259668.db2.gz DKWGAVBMBCXRGR-AWEZNQCLSA-N 0 1 348.447 2.646 20 5 EFBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCCC3CC3)c2)CC1 ZINC001337580173 1331586249 /nfs/dbraw/zinc/58/62/49/1331586249.db2.gz MPTFKIDERUZGEB-UHFFFAOYSA-N 0 1 346.431 2.865 20 5 EFBDMN COc1cc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC001337724584 1331594777 /nfs/dbraw/zinc/59/47/77/1331594777.db2.gz HZDRQWOUUDIAOA-GFCCVEGCSA-N 0 1 343.387 2.983 20 5 EFBDMN COc1cc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC001337724584 1331594778 /nfs/dbraw/zinc/59/47/78/1331594778.db2.gz HZDRQWOUUDIAOA-GFCCVEGCSA-N 0 1 343.387 2.983 20 5 EFBDMN Cc1c(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)ccc2cncn21 ZINC001337874181 1331607245 /nfs/dbraw/zinc/60/72/45/1331607245.db2.gz SRLOARKWWLXIQD-UHFFFAOYSA-N 0 1 339.307 2.591 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C(C)(C)C)CC1 ZINC001338571069 1331717358 /nfs/dbraw/zinc/71/73/58/1331717358.db2.gz OTLIJYBPRWQPOH-UHFFFAOYSA-N 0 1 336.392 2.551 20 5 EFBDMN CC[C@H](C)[C@H](C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001339066046 1331781750 /nfs/dbraw/zinc/78/17/50/1331781750.db2.gz OABPJEYPXODFAW-KBPBESRZSA-N 0 1 348.447 2.967 20 5 EFBDMN COC[C@@H](CO)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001339652173 1331921056 /nfs/dbraw/zinc/92/10/56/1331921056.db2.gz KLTXPSLXEIEPKJ-LLVKDONJSA-N 0 1 340.763 2.605 20 5 EFBDMN C[C@H](CNC(=O)[C@H]1NCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001342943861 1332336839 /nfs/dbraw/zinc/33/68/39/1332336839.db2.gz MJLILWGZEDNURM-ACJLOTCBSA-N 0 1 339.395 2.702 20 5 EFBDMN C[C@H](CNC(=O)[C@@H]1NCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001342943862 1332336901 /nfs/dbraw/zinc/33/69/01/1332336901.db2.gz MJLILWGZEDNURM-FZKQIMNGSA-N 0 1 339.395 2.702 20 5 EFBDMN CC(C)(C(=O)OCc1ccc2[nH]nnc2c1)c1ccccc1[N+](=O)[O-] ZINC001346088167 1332597761 /nfs/dbraw/zinc/59/77/61/1332597761.db2.gz QTLVMZHKXQWFBB-UHFFFAOYSA-N 0 1 340.339 2.887 20 5 EFBDMN CC(C)(C(=O)OCc1ccc2nn[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC001346088167 1332597764 /nfs/dbraw/zinc/59/77/64/1332597764.db2.gz QTLVMZHKXQWFBB-UHFFFAOYSA-N 0 1 340.339 2.887 20 5 EFBDMN CN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001347505092 1332751119 /nfs/dbraw/zinc/75/11/19/1332751119.db2.gz VYCYSRBJXBFIJH-NSHDSACASA-N 0 1 345.321 2.828 20 5 EFBDMN COc1cccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC001347822984 1332776148 /nfs/dbraw/zinc/77/61/48/1332776148.db2.gz XWXOISRHMBXIMP-GFCCVEGCSA-N 0 1 343.387 2.983 20 5 EFBDMN COc1cccc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1[N+](=O)[O-] ZINC001347822984 1332776149 /nfs/dbraw/zinc/77/61/49/1332776149.db2.gz XWXOISRHMBXIMP-GFCCVEGCSA-N 0 1 343.387 2.983 20 5 EFBDMN CON(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)c1csc(C)n1 ZINC001347998010 1332791856 /nfs/dbraw/zinc/79/18/56/1332791856.db2.gz CYGABLDUBZQGNW-MRVPVSSYSA-N 0 1 337.357 2.830 20 5 EFBDMN COc1cc(C(=O)OCc2cc(C3CC3)[nH]n2)c([N+](=O)[O-])cc1F ZINC000848010541 1334145483 /nfs/dbraw/zinc/14/54/83/1334145483.db2.gz LYMHOHIGPDSSOW-UHFFFAOYSA-N 0 1 335.291 2.700 20 5 EFBDMN O=C(Cc1ccoc1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002662350 1334582074 /nfs/dbraw/zinc/58/20/74/1334582074.db2.gz PHTVPQDSUYHCOE-UHFFFAOYSA-N 0 1 343.383 2.511 20 5 EFBDMN CO[C@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@H]1C ZINC000848488996 1334745966 /nfs/dbraw/zinc/74/59/66/1334745966.db2.gz PHGVKLDCLBMCLF-DYVFJYSZSA-N 0 1 330.388 2.773 20 5 EFBDMN CO[C@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@H]1C ZINC000848488997 1334745985 /nfs/dbraw/zinc/74/59/85/1334745985.db2.gz PHGVKLDCLBMCLF-GUYCJALGSA-N 0 1 330.388 2.773 20 5 EFBDMN COC[C@]1(C)CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848491704 1334748171 /nfs/dbraw/zinc/74/81/71/1334748171.db2.gz YPOBMRKCUODVCX-QGZVFWFLSA-N 0 1 330.388 2.774 20 5 EFBDMN CCOC(=O)CCN(Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000848502114 1334759417 /nfs/dbraw/zinc/75/94/17/1334759417.db2.gz OWNNDJBSRVWJJD-UHFFFAOYSA-N 0 1 348.403 2.874 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@H](N2CCOCC2)CC1 ZINC000848795839 1334904942 /nfs/dbraw/zinc/90/49/42/1334904942.db2.gz NEKOCZFNASWNDB-AWEZNQCLSA-N 0 1 339.823 2.939 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001357291336 1335297181 /nfs/dbraw/zinc/29/71/81/1335297181.db2.gz KRUSNTLQRUKEGT-DZGCQCFKSA-N 0 1 334.420 2.748 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000849346214 1335595457 /nfs/dbraw/zinc/59/54/57/1335595457.db2.gz QNBXEPYGISQMCH-NCOADZHNSA-N 0 1 348.399 2.594 20 5 EFBDMN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820428016 1427395150 /nfs/dbraw/zinc/39/51/50/1427395150.db2.gz WFGDOOMTUVTTOA-SNVBAGLBSA-N 0 1 342.334 2.765 20 5 EFBDMN O=[N+]([O-])c1ccc(CNCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826498018 1427975613 /nfs/dbraw/zinc/97/56/13/1427975613.db2.gz DEGGPHVSYFVGIZ-UHFFFAOYSA-N 0 1 344.762 2.718 20 5 EFBDMN O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826498018 1427975617 /nfs/dbraw/zinc/97/56/17/1427975617.db2.gz DEGGPHVSYFVGIZ-UHFFFAOYSA-N 0 1 344.762 2.718 20 5 EFBDMN O=[N+]([O-])c1cc(C[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)cs1 ZINC000826497328 1429956957 /nfs/dbraw/zinc/95/69/57/1429956957.db2.gz CPKZRUUXJDNIPJ-UHFFFAOYSA-N 0 1 342.384 2.615 20 5 EFBDMN C[C@@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000820426383 1444006436 /nfs/dbraw/zinc/00/64/36/1444006436.db2.gz JESHZYNFWXQNMF-SNVBAGLBSA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1F)c1ccccc1[N+](=O)[O-] ZINC000824619662 1447096689 /nfs/dbraw/zinc/09/66/89/1447096689.db2.gz YJDXCGMISHNBBV-SNVBAGLBSA-N 0 1 342.334 2.765 20 5 EFBDMN CC1(C(=O)N[C@H]2C[C@H](NCc3csc([N+](=O)[O-])c3)C2)CCCC1 ZINC001020447973 713020680 /nfs/dbraw/zinc/02/06/80/713020680.db2.gz OQVJSPYSHKLQNE-JOCQHMNTSA-N 0 1 337.445 2.973 20 5 EFBDMN CC(C)(C(=O)N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1)C1CC1 ZINC001020487545 713068371 /nfs/dbraw/zinc/06/83/71/713068371.db2.gz DGBWTQCRDOJQHK-JOCQHMNTSA-N 0 1 337.445 2.829 20 5 EFBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC001021784502 714473957 /nfs/dbraw/zinc/47/39/57/714473957.db2.gz HSOJNTSSDJNZIO-OKILXGFUSA-N 0 1 331.397 2.707 20 5 EFBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)C1CCCCC1 ZINC001021785314 714475626 /nfs/dbraw/zinc/47/56/26/714475626.db2.gz BBVALFJYPYJFPM-OKILXGFUSA-N 0 1 337.445 2.973 20 5 EFBDMN Cc1cc(C)c(C(=O)N[C@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C2)[nH]1 ZINC001022292892 714973937 /nfs/dbraw/zinc/97/39/37/714973937.db2.gz DMECYRCEWCVGBA-BETUJISGSA-N 0 1 348.428 2.652 20 5 EFBDMN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000934166451 715237020 /nfs/dbraw/zinc/23/70/20/715237020.db2.gz RBKVJRHPHDTQOW-UKTARXLSSA-N 0 1 335.404 2.788 20 5 EFBDMN COc1c(O)ccc(CNCCOc2ccccc2F)c1[N+](=O)[O-] ZINC000892413022 717167133 /nfs/dbraw/zinc/16/71/33/717167133.db2.gz BLEFDJOVKKHMGF-UHFFFAOYSA-N 0 1 336.319 2.617 20 5 EFBDMN COc1c(O)ccc(CNCCO[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892580053 718305654 /nfs/dbraw/zinc/30/56/54/718305654.db2.gz ZIKHFFUZSKONAC-SWLSCSKDSA-N 0 1 338.404 2.994 20 5 EFBDMN C/C=C(\C)C(=O)N1CC2(C1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000981698413 718954253 /nfs/dbraw/zinc/95/42/53/718954253.db2.gz CPXQAJPQZAIKSD-CRKCGEKBSA-N 0 1 343.427 2.985 20 5 EFBDMN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1CCCCC1 ZINC001025655826 719290342 /nfs/dbraw/zinc/29/03/42/719290342.db2.gz ZPPSOZTWELOJKD-VQFNDLOPSA-N 0 1 343.427 2.722 20 5 EFBDMN Cc1ccc2nc([C@@H]3CCCN(c4c([N+](=O)[O-])cnn4C)C3)[nH]c2c1 ZINC000893118558 719690585 /nfs/dbraw/zinc/69/05/85/719690585.db2.gz IBMDMWQIOPEYGS-GFCCVEGCSA-N 0 1 340.387 2.897 20 5 EFBDMN CN(CCc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000924092536 719736495 /nfs/dbraw/zinc/73/64/95/719736495.db2.gz FEAZKERUUZFSOR-UHFFFAOYSA-N 0 1 328.328 2.912 20 5 EFBDMN NC1(c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)CCC1 ZINC000261622312 719774595 /nfs/dbraw/zinc/77/45/95/719774595.db2.gz BWKBRWQPISROBD-UHFFFAOYSA-N 0 1 338.751 2.591 20 5 EFBDMN CCO[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1OC ZINC000894081735 720263159 /nfs/dbraw/zinc/26/31/59/720263159.db2.gz BCWMQYPCKBIVSX-MGPQQGTHSA-N 0 1 348.321 2.896 20 5 EFBDMN CC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000006919687 721049353 /nfs/dbraw/zinc/04/93/53/721049353.db2.gz ZOFFMLDQVOZXOX-UHFFFAOYSA-N 0 1 334.353 2.907 20 5 EFBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(c2ccc(C)cc2C)CC1 ZINC000169311292 721084197 /nfs/dbraw/zinc/08/41/97/721084197.db2.gz ICYFFEDZFZOIHQ-UHFFFAOYSA-N 0 1 343.431 2.539 20 5 EFBDMN O=C(OCc1cc(F)c(C(F)(F)F)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000840673120 722085891 /nfs/dbraw/zinc/08/58/91/722085891.db2.gz HQGUVOHSWBIGOB-LHLIQPBNSA-N 0 1 325.189 2.692 20 5 EFBDMN COc1c(O)ccc(CN(C)[C@@H](CO)CC(C)(C)C)c1[N+](=O)[O-] ZINC000894745012 722832721 /nfs/dbraw/zinc/83/27/21/722832721.db2.gz IFISCELGJBDBIT-GFCCVEGCSA-N 0 1 326.393 2.538 20 5 EFBDMN Cc1nc([C@H](C)NCc2cc(Br)c([N+](=O)[O-])s2)n[nH]1 ZINC000894778587 722844285 /nfs/dbraw/zinc/84/42/85/722844285.db2.gz SFWGATWIAYTKSV-YFKPBYRVSA-N 0 1 346.210 2.696 20 5 EFBDMN COc1c(O)ccc(CN2CC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000895097364 723279782 /nfs/dbraw/zinc/27/97/82/723279782.db2.gz OJHJNFRMSLWOEF-ZDUSSCGKSA-N 0 1 329.356 2.694 20 5 EFBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 ZINC000181289667 728836389 /nfs/dbraw/zinc/83/63/89/728836389.db2.gz PAIFGNZUCZPPEV-SNVBAGLBSA-N 0 1 334.763 2.933 20 5 EFBDMN C[C@@H](Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000895248376 723936789 /nfs/dbraw/zinc/93/67/89/723936789.db2.gz KSXIYKDLWUVFRY-BXKDBHETSA-N 0 1 347.246 2.948 20 5 EFBDMN C[C@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895249718 723938536 /nfs/dbraw/zinc/93/85/36/723938536.db2.gz VADKNPQETWQUDN-GWCFXTLKSA-N 0 1 346.353 2.660 20 5 EFBDMN C[C@H](Nc1ccc([N+](=O)[O-])cc1C(F)F)[C@@H]1CN(C)CCN1C ZINC000895246743 723940731 /nfs/dbraw/zinc/94/07/31/723940731.db2.gz DFEBBZGUMGTMBD-HZMBPMFUSA-N 0 1 328.363 2.579 20 5 EFBDMN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000895247493 723941552 /nfs/dbraw/zinc/94/15/52/723941552.db2.gz UTKKGZDNQNLYDM-YGRLFVJLSA-N 0 1 346.353 2.660 20 5 EFBDMN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CN(C)CCN1C ZINC000895247493 723941561 /nfs/dbraw/zinc/94/15/61/723941561.db2.gz UTKKGZDNQNLYDM-YGRLFVJLSA-N 0 1 346.353 2.660 20 5 EFBDMN C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)C(C)(F)F)CC1 ZINC000985207052 723988104 /nfs/dbraw/zinc/98/81/04/723988104.db2.gz RNSKCGWGFJWGHK-UHFFFAOYSA-N 0 1 347.387 2.734 20 5 EFBDMN CN(Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)C(C)(F)F)CC1 ZINC000985207052 723988111 /nfs/dbraw/zinc/98/81/11/723988111.db2.gz RNSKCGWGFJWGHK-UHFFFAOYSA-N 0 1 347.387 2.734 20 5 EFBDMN C[C@H](COc1ccccc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000918348039 728869280 /nfs/dbraw/zinc/86/92/80/728869280.db2.gz SZMOQAXKWAQVPY-LLVKDONJSA-N 0 1 340.339 2.668 20 5 EFBDMN CCO/C=C\[C@@](O)(CNCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000895711117 724270230 /nfs/dbraw/zinc/27/02/30/724270230.db2.gz YPTMPRDUHPANFY-MEJMFZKBSA-N 0 1 334.294 2.528 20 5 EFBDMN O=C1N(CN2CCC3(CCC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154785157 728906142 /nfs/dbraw/zinc/90/61/42/728906142.db2.gz GUUBYYSQKMKHPZ-UHFFFAOYSA-N 0 1 330.388 2.670 20 5 EFBDMN CCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc1C ZINC000800929751 726179719 /nfs/dbraw/zinc/17/97/19/726179719.db2.gz YDJUWUDHTHEMNM-UHFFFAOYSA-N 0 1 344.780 2.574 20 5 EFBDMN O=C(Nc1nc(-c2cccs2)n[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731454117 726868145 /nfs/dbraw/zinc/86/81/45/726868145.db2.gz NSSOHHFZOAGDPV-UHFFFAOYSA-N 0 1 333.304 2.833 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)c1ccc(F)c(F)c1 ZINC000915355248 726958135 /nfs/dbraw/zinc/95/81/35/726958135.db2.gz NTVUEULFXVMFAG-HNNXBMFYSA-N 0 1 338.310 2.705 20 5 EFBDMN Cc1[nH]nc(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000732146801 726998487 /nfs/dbraw/zinc/99/84/87/726998487.db2.gz LGROWQZHEBVSDZ-XAGWURHQSA-N 0 1 344.371 2.617 20 5 EFBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCCN1C ZINC000732264829 727011998 /nfs/dbraw/zinc/01/19/98/727011998.db2.gz YCBORAFWPBRVGV-CQSZACIVSA-N 0 1 325.796 2.691 20 5 EFBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732543736 727148548 /nfs/dbraw/zinc/14/85/48/727148548.db2.gz KPMSJRVNZWQKBB-QMMMGPOBSA-N 0 1 347.762 2.954 20 5 EFBDMN CCCC1=C(C(=O)OCC)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 ZINC000007552980 727211478 /nfs/dbraw/zinc/21/14/78/727211478.db2.gz VYJSNASMACSMJK-CQSZACIVSA-N 0 1 349.412 2.731 20 5 EFBDMN CC(C)c1n[nH]c(C(=O)N2CCN(C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908573361 727218480 /nfs/dbraw/zinc/21/84/80/727218480.db2.gz PGAXFQAURWFOFR-UHFFFAOYSA-N 0 1 349.435 2.532 20 5 EFBDMN CN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC000908574142 727219245 /nfs/dbraw/zinc/21/92/45/727219245.db2.gz SHKYTWGNYBHYJR-UHFFFAOYSA-N 0 1 335.379 2.824 20 5 EFBDMN COc1ccc(C(=O)N2CCN(C)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000908576354 727220131 /nfs/dbraw/zinc/22/01/31/727220131.db2.gz IQORCFCSHMCMMA-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN CCN1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910284212 727427284 /nfs/dbraw/zinc/42/72/84/727427284.db2.gz OJVUBEIFQGIJRD-LBPRGKRZSA-N 0 1 341.358 2.629 20 5 EFBDMN CC(=O)c1ccc(NC2CCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000917064346 727762400 /nfs/dbraw/zinc/76/24/00/727762400.db2.gz PKZSBJTXZNFMBC-INIZCTEOSA-N 0 1 347.415 2.853 20 5 EFBDMN O=C(OCCSc1ccc(Br)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842349996 728487836 /nfs/dbraw/zinc/48/78/36/728487836.db2.gz QVJCIGFVDVVGNP-GHMZBOCLSA-N 0 1 346.202 2.750 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000172181668 728572701 /nfs/dbraw/zinc/57/27/01/728572701.db2.gz DVQDRSQKEWCMRL-UHFFFAOYSA-N 0 1 337.313 2.612 20 5 EFBDMN O=C([O-])CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC001595047576 951449499 /nfs/dbraw/zinc/44/94/99/951449499.db2.gz YXTVJVNSKXGACQ-SHTZXODSSA-N 0 1 336.388 2.565 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C(=O)[O-] ZINC000235363037 960422037 /nfs/dbraw/zinc/42/20/37/960422037.db2.gz KMPDDICZIOHOGY-LDYMZIIASA-N 0 1 343.177 2.510 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C(=O)[O-] ZINC000235371670 960423643 /nfs/dbraw/zinc/42/36/43/960423643.db2.gz KEWONVOYEWCBLM-PSASIEDQSA-N 0 1 343.177 2.510 20 5 EFBDMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000236430787 960589295 /nfs/dbraw/zinc/58/92/95/960589295.db2.gz NBIGGWSEUHXJRV-JTQLQIEISA-N 0 1 343.177 2.796 20 5 EFBDMN COc1cc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001604709499 973911677 /nfs/dbraw/zinc/91/16/77/973911677.db2.gz SFWQDRKAGXPXSA-LBPRGKRZSA-N 0 1 340.351 2.962 20 5 EFBDMN COc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000692422566 976462090 /nfs/dbraw/zinc/46/20/90/976462090.db2.gz ZTAHNPIQUHQPCK-UHFFFAOYSA-N 0 1 330.340 2.690 20 5 EFBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccnc1 ZINC001592320167 977715265 /nfs/dbraw/zinc/71/52/65/977715265.db2.gz XLQSUQGIAWPZQX-INIZCTEOSA-N 0 1 333.319 2.609 20 5 EFBDMN CCC[N@H+]1CC[C@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844208036 979358057 /nfs/dbraw/zinc/35/80/57/979358057.db2.gz QXBBTAXXUYMXFW-KXQLTZBTSA-N 0 1 333.388 2.836 20 5 EFBDMN CC[C@](C)(C(=O)[O-])[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000851706561 979572596 /nfs/dbraw/zinc/57/25/96/979572596.db2.gz DEPJCAULFKGXGM-DOTOQJQBSA-N 0 1 336.388 2.594 20 5 EFBDMN O=C([O-])CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO1 ZINC000901677411 980440212 /nfs/dbraw/zinc/44/02/12/980440212.db2.gz KWDIYLULNMHJBU-ZDUSSCGKSA-N 0 1 342.779 2.704 20 5 EFBDMN O=C([O-])CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO1 ZINC000901677411 980440215 /nfs/dbraw/zinc/44/02/15/980440215.db2.gz KWDIYLULNMHJBU-ZDUSSCGKSA-N 0 1 342.779 2.704 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000901678851 980441750 /nfs/dbraw/zinc/44/17/50/980441750.db2.gz QNANTTJRABSHNY-OOXMNIKJSA-N 0 1 348.399 2.954 20 5 EFBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901785090 980514948 /nfs/dbraw/zinc/51/49/48/980514948.db2.gz CIMDLCYCOPHVCZ-LYKUJDHUSA-N 0 1 344.289 2.947 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC000901886808 980599779 /nfs/dbraw/zinc/59/97/79/980599779.db2.gz AZTKEPMJCUJNKC-VDBIKXPHSA-N 0 1 336.413 2.748 20 5 EFBDMN CCc1oc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001597805869 989416995 /nfs/dbraw/zinc/41/69/95/989416995.db2.gz PXEORFRPOFTQJL-UHFFFAOYSA-N 0 1 334.328 2.747 20 5 EFBDMN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001591600736 992832999 /nfs/dbraw/zinc/83/29/99/992832999.db2.gz UINMXFXGIHIYGO-QWHCGFSZSA-N 0 1 328.315 2.771 20 5 EFBDMN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001591600735 992833015 /nfs/dbraw/zinc/83/30/15/992833015.db2.gz UINMXFXGIHIYGO-OLZOCXBDSA-N 0 1 328.315 2.771 20 5 EFBDMN C[N@@H+]1Cc2ccccc2[C@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598631646 994182082 /nfs/dbraw/zinc/18/20/82/994182082.db2.gz RDILPYXMJXVSHW-MRXNPFEDSA-N 0 1 327.340 2.892 20 5 EFBDMN C[N@H+]1Cc2ccccc2[C@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598631646 994182086 /nfs/dbraw/zinc/18/20/86/994182086.db2.gz RDILPYXMJXVSHW-MRXNPFEDSA-N 0 1 327.340 2.892 20 5 EFBDMN C[C@]([NH2+]Cc1c(F)cccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593285152 994634015 /nfs/dbraw/zinc/63/40/15/994634015.db2.gz CILGFXYVPQYEQM-MRXNPFEDSA-N 0 1 336.294 2.963 20 5 EFBDMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001593732630 996314233 /nfs/dbraw/zinc/31/42/33/996314233.db2.gz XOJHERMUGWANTG-JTQLQIEISA-N 0 1 335.385 2.985 20 5 EFBDMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001593732630 996314239 /nfs/dbraw/zinc/31/42/39/996314239.db2.gz XOJHERMUGWANTG-JTQLQIEISA-N 0 1 335.385 2.985 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001593738545 996348883 /nfs/dbraw/zinc/34/88/83/996348883.db2.gz XISQKLRNDZEBAC-CWSCBRNRSA-N 0 1 346.343 2.501 20 5 EFBDMN CC1(C)CCC[N@H+]1CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001593911106 996799916 /nfs/dbraw/zinc/79/99/16/996799916.db2.gz WQLCDRWGEGAIJR-ALCCZGGFSA-N 0 1 333.388 2.979 20 5 EFBDMN COc1cc(C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)c([N+](=O)[O-])cc1F ZINC001599404885 997278919 /nfs/dbraw/zinc/27/89/19/997278919.db2.gz DVJGHSPUFRAQEV-SECBINFHSA-N 0 1 326.324 2.570 20 5 EFBDMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC001594103444 998135895 /nfs/dbraw/zinc/13/58/95/998135895.db2.gz WLZPEHIMQOKTJU-GDBMZVCRSA-N 0 1 346.383 2.922 20 5 EFBDMN C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC[N@H+]1C ZINC001594245828 998940193 /nfs/dbraw/zinc/94/01/93/998940193.db2.gz OXFLNXYNGHTBFU-UWVGGRQHSA-N 0 1 341.795 2.865 20 5 EFBDMN Cc1cc(C(=O)N[C@@H](c2c[nH]nn2)c2ccccc2)ccc1[N+](=O)[O-] ZINC001577276483 1089793253 /nfs/dbraw/zinc/79/32/53/1089793253.db2.gz GFWQQRVERVLXIZ-MRXNPFEDSA-N 0 1 337.339 2.541 20 5 EFBDMN CCC[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001577384214 1089897382 /nfs/dbraw/zinc/89/73/82/1089897382.db2.gz WRXRWQVANQMDPS-LLVKDONJSA-N 0 1 325.796 2.771 20 5 EFBDMN Cc1cccc(C(=O)N[C@@H](c2c[nH]nn2)c2ccccc2)c1[N+](=O)[O-] ZINC001577415722 1089929079 /nfs/dbraw/zinc/92/90/79/1089929079.db2.gz DJMGRNQDUUECLH-OAHLLOKOSA-N 0 1 337.339 2.541 20 5 EFBDMN Cc1cccc(C(=O)N[C@H](c2c[nH]nn2)c2ccccc2)c1[N+](=O)[O-] ZINC001577415721 1089930628 /nfs/dbraw/zinc/93/06/28/1089930628.db2.gz DJMGRNQDUUECLH-HNNXBMFYSA-N 0 1 337.339 2.541 20 5 EFBDMN Cc1cc(Cl)c(C(=O)N2CCNC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001579605520 1090641866 /nfs/dbraw/zinc/64/18/66/1090641866.db2.gz UJVKYVBROYTTOI-AWEZNQCLSA-N 0 1 325.796 2.627 20 5 EFBDMN Cc1ccc([C@@H](N)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001579668476 1090657612 /nfs/dbraw/zinc/65/76/12/1090657612.db2.gz FUGZFBNOAOWHOA-MRXNPFEDSA-N 0 1 347.802 2.915 20 5 EFBDMN O=C(NCC1(Nc2ccccc2[N+](=O)[O-])CCCC1)c1[nH]ncc1F ZINC001104429417 1093120490 /nfs/dbraw/zinc/12/04/90/1093120490.db2.gz MOYWPYQQENRDEY-UHFFFAOYSA-N 0 1 347.350 2.612 20 5 EFBDMN C[C@H](NCc1ccc(-c2nn[nH]n2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001591769961 1093851639 /nfs/dbraw/zinc/85/16/39/1093851639.db2.gz LDIXVMGTKKEBIM-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN Cc1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001592166418 1094011306 /nfs/dbraw/zinc/01/13/06/1094011306.db2.gz MELCDYZGEYSMCN-GFCCVEGCSA-N 0 1 338.371 2.934 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(F)nc1-c1nn[nH]n1 ZINC001593473370 1094318043 /nfs/dbraw/zinc/31/80/43/1094318043.db2.gz ZKKGGVPKIOEUSY-UHFFFAOYSA-N 0 1 336.670 2.755 20 5 EFBDMN Cc1ccc(NCCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[nH+]c1 ZINC001600460115 1095083590 /nfs/dbraw/zinc/08/35/90/1095083590.db2.gz NRMRYLIXRRHLHU-DAXSKMNVSA-N 0 1 342.355 2.920 20 5 EFBDMN Cc1noc(C[N@@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001600812991 1095348274 /nfs/dbraw/zinc/34/82/74/1095348274.db2.gz TVYHLBGHIGYHLE-QWHCGFSZSA-N 0 1 337.376 2.747 20 5 EFBDMN Cc1noc(C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001600812991 1095348286 /nfs/dbraw/zinc/34/82/86/1095348286.db2.gz TVYHLBGHIGYHLE-QWHCGFSZSA-N 0 1 337.376 2.747 20 5 EFBDMN O=C([O-])[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001601675649 1095805037 /nfs/dbraw/zinc/80/50/37/1095805037.db2.gz RGUDCAPELLZJSF-INIZCTEOSA-N 0 1 346.314 2.584 20 5 EFBDMN O=C([O-])C[C@H]1CCCC[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001601949601 1095990179 /nfs/dbraw/zinc/99/01/79/1095990179.db2.gz OVQATAGJSRJXFD-OAHLLOKOSA-N 0 1 344.371 2.745 20 5 EFBDMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001601949600 1095990213 /nfs/dbraw/zinc/99/02/13/1095990213.db2.gz OVQATAGJSRJXFD-HNNXBMFYSA-N 0 1 344.371 2.745 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC001602082210 1096052005 /nfs/dbraw/zinc/05/20/05/1096052005.db2.gz KGTYNFBHQDSOBH-KBPBESRZSA-N 0 1 334.372 2.823 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC001602083795 1096053164 /nfs/dbraw/zinc/05/31/64/1096053164.db2.gz TUONOAMKABXZPR-KSSFIOAISA-N 0 1 346.383 2.679 20 5 EFBDMN O=C([O-])COc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1[N+](=O)[O-] ZINC001602084891 1096053621 /nfs/dbraw/zinc/05/36/21/1096053621.db2.gz KEKHNDJAOLOIJM-UHFFFAOYSA-N 0 1 340.719 2.594 20 5 EFBDMN O=C([O-])[C@H]1[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]21 ZINC001602205383 1096116185 /nfs/dbraw/zinc/11/61/85/1096116185.db2.gz YFRZYHNEPPPZFT-VIKVFOODSA-N 0 1 328.324 2.617 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC001602404727 1096223677 /nfs/dbraw/zinc/22/36/77/1096223677.db2.gz CVNLABFQMMPVPD-UHFFFAOYSA-N 0 1 339.351 2.977 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC001602404727 1096223682 /nfs/dbraw/zinc/22/36/82/1096223682.db2.gz CVNLABFQMMPVPD-UHFFFAOYSA-N 0 1 339.351 2.977 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CCO)c2ccccc2F)c1 ZINC001602403816 1096223932 /nfs/dbraw/zinc/22/39/32/1096223932.db2.gz NPOTVAUFTVAVHE-HNNXBMFYSA-N 0 1 348.330 2.645 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC001602403659 1096224320 /nfs/dbraw/zinc/22/43/20/1096224320.db2.gz LBUFWMAREKXSTC-USXIJHARSA-N 0 1 348.399 2.809 20 5 EFBDMN CC(C)(C)[N@H+]1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001603343941 1096509683 /nfs/dbraw/zinc/50/96/83/1096509683.db2.gz CLBIGTBQCCGTCU-IYNGYCSASA-N 0 1 333.388 2.977 20 5 EFBDMN CC(C)[C@H]1[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1(C)C ZINC001603761953 1096616730 /nfs/dbraw/zinc/61/67/30/1096616730.db2.gz LIYIGZOHEXVGKE-MRXNPFEDSA-N 0 1 336.388 2.925 20 5 EFBDMN CC(C)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C(=O)[O-] ZINC001603809638 1096633902 /nfs/dbraw/zinc/63/39/02/1096633902.db2.gz CFDXCZATFWLVRB-OAHLLOKOSA-N 0 1 338.404 2.697 20 5 EFBDMN C[C@@H]1CCC[N@H+](C(C)(C)CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001604736760 1096943826 /nfs/dbraw/zinc/94/38/26/1096943826.db2.gz WXIMCAVBJWONJL-LLVKDONJSA-N 0 1 336.392 2.610 20 5 EFBDMN C[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1(C)C ZINC001604754428 1096948239 /nfs/dbraw/zinc/94/82/39/1096948239.db2.gz WBYUVVRTYMFDQG-GFCCVEGCSA-N 0 1 336.388 2.926 20 5 EFBDMN Cc1cc(Oc2nc(-c3nn[nH]n3)c(Cl)s2)ccc1[N+](=O)[O-] ZINC001605751059 1097216791 /nfs/dbraw/zinc/21/67/91/1097216791.db2.gz NMXGZAOTGNLXPY-UHFFFAOYSA-N 0 1 338.736 2.986 20 5 EFBDMN Cc1ccc([C@H](C)NCc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC001605828614 1097240938 /nfs/dbraw/zinc/24/09/38/1097240938.db2.gz VLDFQEFTLCHBDC-LBPRGKRZSA-N 0 1 338.371 2.934 20 5 EFBDMN C[N@@H+](Cc1cccs1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001606160595 1097332359 /nfs/dbraw/zinc/33/23/59/1097332359.db2.gz RBCHLEDQSAOBRF-UHFFFAOYSA-N 0 1 336.369 2.752 20 5 EFBDMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001606162781 1097332674 /nfs/dbraw/zinc/33/26/74/1097332674.db2.gz IAAADAGVXAHUJL-UHFFFAOYSA-N 0 1 348.330 2.829 20 5 EFBDMN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001606162781 1097332679 /nfs/dbraw/zinc/33/26/79/1097332679.db2.gz IAAADAGVXAHUJL-UHFFFAOYSA-N 0 1 348.330 2.829 20 5 EFBDMN C[N@H+](Cc1ccsc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001606172592 1097336508 /nfs/dbraw/zinc/33/65/08/1097336508.db2.gz KSKUZWRDXUGFSL-UHFFFAOYSA-N 0 1 336.369 2.752 20 5 EFBDMN C[N@@H+](Cc1ccsc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001606172592 1097336512 /nfs/dbraw/zinc/33/65/12/1097336512.db2.gz KSKUZWRDXUGFSL-UHFFFAOYSA-N 0 1 336.369 2.752 20 5 EFBDMN C[N@H+]1CCC[C@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001606221281 1097354094 /nfs/dbraw/zinc/35/40/94/1097354094.db2.gz ILMMCDMBQUWPSK-SECBINFHSA-N 0 1 327.768 2.700 20 5 EFBDMN COC[C@@H]([NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001606814534 1097458398 /nfs/dbraw/zinc/45/83/98/1097458398.db2.gz HOYLEKZQPUMKSH-OAHLLOKOSA-N 0 1 330.340 2.770 20 5 EFBDMN COC[C@H]([NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001606814533 1097458421 /nfs/dbraw/zinc/45/84/21/1097458421.db2.gz HOYLEKZQPUMKSH-HNNXBMFYSA-N 0 1 330.340 2.770 20 5 EFBDMN COCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC001606890275 1097465863 /nfs/dbraw/zinc/46/58/63/1097465863.db2.gz YTZRVEGXNJDDNJ-DOMZBBRYSA-N 0 1 336.388 2.930 20 5 EFBDMN COc1cc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607156936 1097546233 /nfs/dbraw/zinc/54/62/33/1097546233.db2.gz YGOAXADFMFHWIT-ZDUSSCGKSA-N 0 1 328.340 2.674 20 5 EFBDMN COc1cc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607157357 1097546991 /nfs/dbraw/zinc/54/69/91/1097546991.db2.gz FSNIBIFGDKCQNT-LBPRGKRZSA-N 0 1 326.324 2.572 20 5 EFBDMN Cc1c(C(=O)[O-])cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1C ZINC001607511183 1097646788 /nfs/dbraw/zinc/64/67/88/1097646788.db2.gz MZYOZXWWFLGDRK-UHFFFAOYSA-N 0 1 331.372 2.614 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC001607589085 1097667620 /nfs/dbraw/zinc/66/76/20/1097667620.db2.gz FLLKRWGJLNCDJD-CQSZACIVSA-N 0 1 342.355 2.595 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC001607589085 1097667625 /nfs/dbraw/zinc/66/76/25/1097667625.db2.gz FLLKRWGJLNCDJD-CQSZACIVSA-N 0 1 342.355 2.595 20 5 EFBDMN Cc1noc(C)c1C(C)(C)[NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001608022602 1097806550 /nfs/dbraw/zinc/80/65/50/1097806550.db2.gz PLBZQACKHZASIW-UHFFFAOYSA-N 0 1 333.344 2.923 20 5 EFBDMN O=C([O-])C[C@H]1COCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001608702775 1097994055 /nfs/dbraw/zinc/99/40/55/1097994055.db2.gz ZCDMBFQCLCPUFG-AWEZNQCLSA-N 0 1 346.339 2.530 20 5 EFBDMN O=C([O-])C[C@H]1COCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001608702775 1097994059 /nfs/dbraw/zinc/99/40/59/1097994059.db2.gz ZCDMBFQCLCPUFG-AWEZNQCLSA-N 0 1 346.339 2.530 20 5 EFBDMN O=C([O-])COc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC001608760195 1098012392 /nfs/dbraw/zinc/01/23/92/1098012392.db2.gz RJLTUIYXQINNTO-UHFFFAOYSA-N 0 1 342.311 2.547 20 5 EFBDMN O=C([O-])c1c(Cl)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001608830496 1098035871 /nfs/dbraw/zinc/03/58/71/1098035871.db2.gz QGHIBPSBQUDZDE-ZJUUUORDSA-N 0 1 339.779 2.985 20 5 EFBDMN O=C([O-])c1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC001608881635 1098056672 /nfs/dbraw/zinc/05/66/72/1098056672.db2.gz IZKFJZNSPCZEIU-UHFFFAOYSA-N 0 1 345.355 2.665 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC001608915208 1098070402 /nfs/dbraw/zinc/07/04/02/1098070402.db2.gz JSLGAGIBCYIWPG-NSHDSACASA-N 0 1 334.376 2.507 20 5 EFBDMN O=C([O-])c1cnc([C@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)s1 ZINC001608967345 1098091236 /nfs/dbraw/zinc/09/12/36/1098091236.db2.gz BZONQBHRWLPFJE-NSHDSACASA-N 0 1 348.384 2.524 20 5 EFBDMN O=C([O-])c1cnc([C@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)s1 ZINC001608967345 1098091238 /nfs/dbraw/zinc/09/12/38/1098091238.db2.gz BZONQBHRWLPFJE-NSHDSACASA-N 0 1 348.384 2.524 20 5 EFBDMN C[C@H](NCc1ccc(-c2nn[nH]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001609124514 1098157774 /nfs/dbraw/zinc/15/77/74/1098157774.db2.gz BSTUVAUAOYUUKR-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cccnc2c2ncccc12 ZINC001269518306 1098210656 /nfs/dbraw/zinc/21/06/56/1098210656.db2.gz UVLRXIAAQPPWMM-GASCZTMLSA-N 0 1 332.407 2.702 20 5 EFBDMN C[C@](CC(=O)[O-])([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccncc1 ZINC001609729797 1098440503 /nfs/dbraw/zinc/44/05/03/1098440503.db2.gz CSUQIQXJXGXWMY-MRXNPFEDSA-N 0 1 333.319 2.609 20 5 EFBDMN CC[N@H+]1CC[C@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC001610010329 1098520821 /nfs/dbraw/zinc/52/08/21/1098520821.db2.gz WIHSQGUYJIXULG-WFASDCNBSA-N 0 1 335.404 2.598 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)n1 ZINC001610436725 1098676635 /nfs/dbraw/zinc/67/66/35/1098676635.db2.gz BFRHVYVEVDKWCB-CMPLNLGQSA-N 0 1 336.392 2.529 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC001610840054 1098927269 /nfs/dbraw/zinc/92/72/69/1098927269.db2.gz IVVRVESDCGCMMR-RDJZCZTQSA-N 0 1 342.351 2.601 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC001610842413 1098929030 /nfs/dbraw/zinc/92/90/30/1098929030.db2.gz WQRJYNFJVNOARG-KBPBESRZSA-N 0 1 348.399 2.932 20 5 EFBDMN Cc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[nH]1 ZINC000011659179 1099094784 /nfs/dbraw/zinc/09/47/84/1099094784.db2.gz MDHPOANDGDHFNZ-ZCFIWIBFSA-N 0 1 341.780 2.794 20 5 EFBDMN Cc1n[nH]c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000011659179 1099094795 /nfs/dbraw/zinc/09/47/95/1099094795.db2.gz MDHPOANDGDHFNZ-ZCFIWIBFSA-N 0 1 341.780 2.794 20 5 EFBDMN CC(=O)Nc1ccc(N(C(=N)N)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001167991612 1099739910 /nfs/dbraw/zinc/73/99/10/1099739910.db2.gz KOEBIFVKQQDGIJ-UHFFFAOYSA-N 0 1 331.307 2.724 20 5 EFBDMN C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000840369410 1101032462 /nfs/dbraw/zinc/03/24/62/1101032462.db2.gz LWPSITJNPNERQF-CQSZACIVSA-N 0 1 326.400 2.888 20 5 EFBDMN Cc1nc([C@@H](C)OC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n[nH]1 ZINC000840436413 1101074517 /nfs/dbraw/zinc/07/45/17/1101074517.db2.gz GVMCQAOIVBJFFE-ZCFIWIBFSA-N 0 1 344.249 2.958 20 5 EFBDMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672729 1101216120 /nfs/dbraw/zinc/21/61/20/1101216120.db2.gz PDPJEYFFVYYOAG-IACUBPJLSA-N 0 1 334.372 2.654 20 5 EFBDMN CCCN1CCN(c2ccc(NCC[N+](=O)[O-])cc2Cl)CC1 ZINC000905315792 1103044165 /nfs/dbraw/zinc/04/41/65/1103044165.db2.gz QVDKTSNJIJNYEO-UHFFFAOYSA-N 0 1 326.828 2.561 20 5 EFBDMN CCOc1cc(Cn2cc(CN(C)C(C)(C)C)nn2)ccc1[N+](=O)[O-] ZINC000905803006 1103617924 /nfs/dbraw/zinc/61/79/24/1103617924.db2.gz BRDSZGUCPRCZDO-UHFFFAOYSA-N 0 1 347.419 2.864 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(CCSc3ccncc3)CC2)cc1 ZINC000929155050 1106345776 /nfs/dbraw/zinc/34/57/76/1106345776.db2.gz WUTQWGMOCDNKHT-UHFFFAOYSA-N 0 1 344.440 2.904 20 5 EFBDMN CCCOC[C@@H](Cc1cccc(Br)c1)NCC[N+](=O)[O-] ZINC000905218816 1108528598 /nfs/dbraw/zinc/52/85/98/1108528598.db2.gz JGHYCIOROULXAT-CQSZACIVSA-N 0 1 345.237 2.653 20 5 EFBDMN C[C@@](O)(CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)F ZINC000905236180 1108559248 /nfs/dbraw/zinc/55/92/48/1108559248.db2.gz DUBGFQNXEPXNIL-LLVKDONJSA-N 0 1 328.237 2.719 20 5 EFBDMN CCN1CCCC[C@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898462147 1108954839 /nfs/dbraw/zinc/95/48/39/1108954839.db2.gz NDDWATAROZWYKS-HNNXBMFYSA-N 0 1 328.372 2.956 20 5 EFBDMN O=C(OC1(c2ccccc2Br)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842323662 1109447710 /nfs/dbraw/zinc/44/77/10/1109447710.db2.gz OVSMLDXANINQQX-LDYMZIIASA-N 0 1 326.146 2.647 20 5 EFBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000176536640 1111097966 /nfs/dbraw/zinc/09/79/66/1111097966.db2.gz IDFTTZVDTFOAMS-UHFFFAOYSA-N 0 1 346.293 2.722 20 5 EFBDMN CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)c1cc(C)[nH]n1 ZINC001106692081 1111725954 /nfs/dbraw/zinc/72/59/54/1111725954.db2.gz MGAWTKDPWPCAQO-UHFFFAOYSA-N 0 1 331.376 2.509 20 5 EFBDMN CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)c1cnc(C)[nH]1 ZINC001106706049 1111738775 /nfs/dbraw/zinc/73/87/75/1111738775.db2.gz QYLYXKMDQYIVKN-UHFFFAOYSA-N 0 1 331.376 2.509 20 5 EFBDMN COCC1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000112331464 1120252711 /nfs/dbraw/zinc/25/27/11/1120252711.db2.gz CLTGDUVIWDOACK-UHFFFAOYSA-N 0 1 330.388 2.774 20 5 EFBDMN CC[C@]1(CO)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189671441 529431934 /nfs/dbraw/zinc/43/19/34/529431934.db2.gz MWHJQYNPDYXRLY-QGZVFWFLSA-N 0 1 331.372 2.987 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCc3cc(Cl)ccc3C2)c1[N+](=O)[O-] ZINC000191594495 529466547 /nfs/dbraw/zinc/46/65/47/529466547.db2.gz FNZKQCZQMYMWPT-UHFFFAOYSA-N 0 1 334.763 2.732 20 5 EFBDMN CC[C@@]1(CO)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189671456 529562468 /nfs/dbraw/zinc/56/24/68/529562468.db2.gz MWHJQYNPDYXRLY-KRWDZBQOSA-N 0 1 331.372 2.987 20 5 EFBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1cccc(C(F)(F)F)c1 ZINC000174822902 529939533 /nfs/dbraw/zinc/93/95/33/529939533.db2.gz PKQIUTJTUSLFGD-UHFFFAOYSA-N 0 1 328.294 2.942 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000068458204 215310132 /nfs/dbraw/zinc/31/01/32/215310132.db2.gz OPIQFEJVYPYHLA-UHFFFAOYSA-N 0 1 332.360 2.551 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000181244062 234129024 /nfs/dbraw/zinc/12/90/24/234129024.db2.gz KQPWZUJUUVGHCI-GFCCVEGCSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181244062 234129027 /nfs/dbraw/zinc/12/90/27/234129027.db2.gz KQPWZUJUUVGHCI-GFCCVEGCSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1ccc([C@@H](C)NCC(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000181839563 234345822 /nfs/dbraw/zinc/34/58/22/234345822.db2.gz VTBHOWFIVOCWQV-OAHLLOKOSA-N 0 1 341.411 2.913 20 5 EFBDMN COc1cc(CN(C)CCCOC(C)C)c([N+](=O)[O-])cc1OC ZINC000353719510 146544809 /nfs/dbraw/zinc/54/48/09/146544809.db2.gz ZWWDWRDQWBBRKI-UHFFFAOYSA-N 0 1 326.393 2.859 20 5 EFBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899260 299248527 /nfs/dbraw/zinc/24/85/27/299248527.db2.gz UZQFLTHHKXTZKJ-STQMWFEESA-N 0 1 347.415 2.683 20 5 EFBDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1Br ZINC000037994741 213185164 /nfs/dbraw/zinc/18/51/64/213185164.db2.gz AFNJEOGWJZCFGR-UHFFFAOYSA-N 0 1 331.166 2.652 20 5 EFBDMN C[C@H]1CCCC[C@H]1N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129258086 223037397 /nfs/dbraw/zinc/03/73/97/223037397.db2.gz ZQTGPBWGHOGLPA-XJKSGUPXSA-N 0 1 340.445 2.879 20 5 EFBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(CO)o3)CC2)cc1 ZINC000130734478 223173216 /nfs/dbraw/zinc/17/32/16/223173216.db2.gz KXOKLLQENQJCOB-UHFFFAOYSA-N 0 1 332.356 2.724 20 5 EFBDMN C[C@H]1SCCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000174868252 291260325 /nfs/dbraw/zinc/26/03/25/291260325.db2.gz VRGZIQKZCXORFZ-CJNGLKHVSA-N 0 1 332.429 2.970 20 5 EFBDMN Cc1c(NC(=O)CCN2CCOC[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000072979071 216336427 /nfs/dbraw/zinc/33/64/27/216336427.db2.gz DLZWWBMBOFQAHU-OAHLLOKOSA-N 0 1 349.431 2.979 20 5 EFBDMN CCOc1ccc2nc(SCc3c([N+](=O)[O-])ncn3C)[nH]c2c1 ZINC000075092218 216551471 /nfs/dbraw/zinc/55/14/71/216551471.db2.gz SFQUIQXKJRBEBI-UHFFFAOYSA-N 0 1 333.373 2.896 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000194779077 240175828 /nfs/dbraw/zinc/17/58/28/240175828.db2.gz WNVWJGQPSHUCIZ-UHFFFAOYSA-N 0 1 342.330 2.891 20 5 EFBDMN C[C@H](C[S@@](C)=O)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290845427 294201287 /nfs/dbraw/zinc/20/12/87/294201287.db2.gz JHCRJDMBLPCJOB-QOLSBQFWSA-N 0 1 325.217 2.758 20 5 EFBDMN Cc1n[nH]c(CCNC(=O)c2cc3ccccc3c3cccnc23)n1 ZINC000358569327 242124794 /nfs/dbraw/zinc/12/47/94/242124794.db2.gz VTUWAHBLPYMXAI-UHFFFAOYSA-N 0 1 331.379 2.787 20 5 EFBDMN CC(C)NC(=O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236643882 242303961 /nfs/dbraw/zinc/30/39/61/242303961.db2.gz AWEYOONBFFGUPE-UHFFFAOYSA-N 0 1 333.413 2.938 20 5 EFBDMN O=[N+]([O-])c1cnn(CCN2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412002931 243066291 /nfs/dbraw/zinc/06/62/91/243066291.db2.gz VLFMFIZCROUWIY-KRWDZBQOSA-N 0 1 342.399 2.645 20 5 EFBDMN CO[C@H]1c2ccccc2C[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000411894269 243020276 /nfs/dbraw/zinc/02/02/76/243020276.db2.gz QMHRRFNAGQGWFW-AEFFLSMTSA-N 0 1 338.367 2.873 20 5 EFBDMN CO[C@@](C)([C@H](C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000411948610 243039608 /nfs/dbraw/zinc/03/96/08/243039608.db2.gz NQMSSOYTEBLULZ-GTNSWQLSSA-N 0 1 346.387 2.938 20 5 EFBDMN CO[C@@](C)([C@H](C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000411972840 243050142 /nfs/dbraw/zinc/05/01/42/243050142.db2.gz QRQPJWHFECHTJS-GTNSWQLSSA-N 0 1 346.387 2.938 20 5 EFBDMN C[C@@H](CC(F)F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000412001884 243067300 /nfs/dbraw/zinc/06/73/00/243067300.db2.gz RIFZJJPHFJOWIQ-ZETCQYMHSA-N 0 1 325.275 2.610 20 5 EFBDMN COc1ccc(CN2CCC[C@H](N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000412059186 243105732 /nfs/dbraw/zinc/10/57/32/243105732.db2.gz WPVNAWMSBMTIKY-HNNXBMFYSA-N 0 1 347.415 2.580 20 5 EFBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412197433 243198214 /nfs/dbraw/zinc/19/82/14/243198214.db2.gz SNUBZTFUJNCQEV-RRFJBIMHSA-N 0 1 326.356 2.615 20 5 EFBDMN C[C@@H]1C[C@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000414266884 244068521 /nfs/dbraw/zinc/06/85/21/244068521.db2.gz SJGMFMYNGLSEAM-GKLJAUDBSA-N 0 1 344.415 2.821 20 5 EFBDMN NC1(c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)CCCC1 ZINC000414615315 244254935 /nfs/dbraw/zinc/25/49/35/244254935.db2.gz IJLCABIYSUSGCB-UHFFFAOYSA-N 0 1 340.343 2.559 20 5 EFBDMN CCOc1cc(N2CCN(C[C@@H](CC)OC)CC2)ccc1[N+](=O)[O-] ZINC000419293565 245371999 /nfs/dbraw/zinc/37/19/99/245371999.db2.gz NRQDKQNBGQZLEX-OAHLLOKOSA-N 0 1 337.420 2.541 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419371749 245392074 /nfs/dbraw/zinc/39/20/74/245392074.db2.gz LHLPCZZHYYSQFE-RNJOBUHISA-N 0 1 335.404 2.907 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(C2CC2)c2ccccc21 ZINC000428766680 296183580 /nfs/dbraw/zinc/18/35/80/296183580.db2.gz ICXOXIQFUSKMQV-UHFFFAOYSA-N 0 1 339.351 2.930 20 5 EFBDMN CC[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H](CC)O1 ZINC000421963315 246188067 /nfs/dbraw/zinc/18/80/67/246188067.db2.gz WQSFPLXSUPOSBD-VXGBXAGGSA-N 0 1 332.360 2.501 20 5 EFBDMN Cc1cc(N2CCC[C@H](n3ccnn3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000425270560 247022767 /nfs/dbraw/zinc/02/27/67/247022767.db2.gz AIIRCJJBXVPWMZ-AWEZNQCLSA-N 0 1 338.371 2.884 20 5 EFBDMN COCC(C)(C)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000425356074 247055896 /nfs/dbraw/zinc/05/58/96/247055896.db2.gz VOUAEHABTRQUTC-UHFFFAOYSA-N 0 1 341.839 2.791 20 5 EFBDMN Cc1cc(N(C)Cc2n[nH]c(=O)o2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000425276152 247026801 /nfs/dbraw/zinc/02/68/01/247026801.db2.gz DABQVYHEAWEILA-UHFFFAOYSA-N 0 1 332.238 2.647 20 5 EFBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000425417783 247077359 /nfs/dbraw/zinc/07/73/59/247077359.db2.gz IHOFAJUTZATDQW-FZMZJTMJSA-N 0 1 343.221 2.950 20 5 EFBDMN O=[N+]([O-])c1ccc(CNCc2ccnc(OC3CCOCC3)c2)cc1 ZINC000264952143 247080486 /nfs/dbraw/zinc/08/04/86/247080486.db2.gz KWIITDLGNBZKOZ-UHFFFAOYSA-N 0 1 343.383 2.837 20 5 EFBDMN CCOc1ccc(NC(=O)CN2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426474046 247285128 /nfs/dbraw/zinc/28/51/28/247285128.db2.gz ZAJPZAALOQARBI-SWLSCSKDSA-N 0 1 333.388 2.806 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H](O)Cc1ccccc1 ZINC000433074020 248011433 /nfs/dbraw/zinc/01/14/33/248011433.db2.gz CFQUMCQJJLSYGF-KRWDZBQOSA-N 0 1 330.384 2.639 20 5 EFBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCSC1 ZINC000433181717 248024325 /nfs/dbraw/zinc/02/43/25/248024325.db2.gz KMPDFECTCIGQIO-HNNXBMFYSA-N 0 1 340.445 2.947 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1CN(CCO)[C@@H]1CCCSC1 ZINC000433184830 248025055 /nfs/dbraw/zinc/02/50/55/248025055.db2.gz XYXMANJVFAWWJK-CYBMUJFWSA-N 0 1 330.837 2.938 20 5 EFBDMN COc1ccc(CN2CCC(n3ccc(C)n3)CC2)cc1[N+](=O)[O-] ZINC000434507357 248161723 /nfs/dbraw/zinc/16/17/23/248161723.db2.gz HQXHVXODGPZJAU-UHFFFAOYSA-N 0 1 330.388 2.945 20 5 EFBDMN Cc1csc(NC(=O)CSCc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000436474757 249520191 /nfs/dbraw/zinc/52/01/91/249520191.db2.gz QQYSRNMWCFBXFK-UHFFFAOYSA-N 0 1 339.398 2.937 20 5 EFBDMN Cc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1[N+](=O)[O-] ZINC000093134030 218195264 /nfs/dbraw/zinc/19/52/64/218195264.db2.gz ZFNGHXCYIHJSJH-OAHLLOKOSA-N 0 1 341.415 2.821 20 5 EFBDMN CNc1c(C(=O)Nc2cccc(-c3cn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000443679302 250218337 /nfs/dbraw/zinc/21/83/37/250218337.db2.gz ZBKSOXWDQZRKKS-UHFFFAOYSA-N 0 1 338.327 2.674 20 5 EFBDMN COc1cccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000443953928 250240375 /nfs/dbraw/zinc/24/03/75/250240375.db2.gz YTRHUZOUZDWBMD-ZDUSSCGKSA-N 0 1 349.412 2.698 20 5 EFBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000444544851 250310287 /nfs/dbraw/zinc/31/02/87/250310287.db2.gz KMTCWFTVPRPDHN-YFKPBYRVSA-N 0 1 345.178 2.633 20 5 EFBDMN CC(C)C[C@@]1(CO)CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444715911 250332482 /nfs/dbraw/zinc/33/24/82/250332482.db2.gz NWQNEVIUDXNEKB-QGZVFWFLSA-N 0 1 332.404 2.844 20 5 EFBDMN CCc1nc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n[nH]1 ZINC000444956994 250369485 /nfs/dbraw/zinc/36/94/85/250369485.db2.gz DLWLMGCQTMFBSA-UHFFFAOYSA-N 0 1 333.351 2.614 20 5 EFBDMN CCc1n[nH]c(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n1 ZINC000444956994 250369488 /nfs/dbraw/zinc/36/94/88/250369488.db2.gz DLWLMGCQTMFBSA-UHFFFAOYSA-N 0 1 333.351 2.614 20 5 EFBDMN CCn1nnc(C)c1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449495728 251042607 /nfs/dbraw/zinc/04/26/07/251042607.db2.gz DVKIPTKJTUVHGU-OAHLLOKOSA-N 0 1 329.404 2.894 20 5 EFBDMN CCO[C@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000449499550 251044745 /nfs/dbraw/zinc/04/47/45/251044745.db2.gz TYXYEVTWWHLBCD-WFASDCNBSA-N 0 1 338.404 2.859 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](c3ncc[nH]3)C2)c2c(c1)COCO2 ZINC000267443715 251062224 /nfs/dbraw/zinc/06/22/24/251062224.db2.gz PSBXIEYXNPXRLE-LBPRGKRZSA-N 0 1 344.371 2.564 20 5 EFBDMN CC(C)CN1CCO[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450223563 251305071 /nfs/dbraw/zinc/30/50/71/251305071.db2.gz NPDAWYGUIPYGNJ-CQSZACIVSA-N 0 1 344.415 2.912 20 5 EFBDMN CCCCO[C@@H]1C[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C ZINC000267779388 251340202 /nfs/dbraw/zinc/34/02/02/251340202.db2.gz MDGUBXNTKCBCIL-NWDGAFQWSA-N 0 1 338.408 2.682 20 5 EFBDMN Cc1nc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)ccc1[N+](=O)[O-] ZINC000268543047 252009828 /nfs/dbraw/zinc/00/98/28/252009828.db2.gz ZQUNJSUNZWZVOZ-UHFFFAOYSA-N 0 1 327.344 2.962 20 5 EFBDMN CC[C@H]1CN(CC)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000454135040 252150907 /nfs/dbraw/zinc/15/09/07/252150907.db2.gz PMBVVHOVJRPCJF-LBPRGKRZSA-N 0 1 336.392 2.551 20 5 EFBDMN COCCC1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000268680487 252134125 /nfs/dbraw/zinc/13/41/25/252134125.db2.gz WXWSBWPVUGVEGO-UHFFFAOYSA-N 0 1 346.387 2.798 20 5 EFBDMN C[C@@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000268847428 252296306 /nfs/dbraw/zinc/29/63/06/252296306.db2.gz ODQILLUQEJOWCC-QMTHXVAHSA-N 0 1 329.360 2.756 20 5 EFBDMN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000454563287 252310982 /nfs/dbraw/zinc/31/09/82/252310982.db2.gz WFLIFIKUWFQNFQ-GASCZTMLSA-N 0 1 348.447 2.652 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000153444729 224105516 /nfs/dbraw/zinc/10/55/16/224105516.db2.gz FZDXERQSNSVIMM-GXTWGEPZSA-N 0 1 337.445 2.628 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(C(F)(F)F)CC1 ZINC000181928688 285164659 /nfs/dbraw/zinc/16/46/59/285164659.db2.gz YFDLUPYHTDYVRX-LBPRGKRZSA-N 0 1 348.321 2.609 20 5 EFBDMN O=[N+]([O-])c1cccnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000011172525 285165074 /nfs/dbraw/zinc/16/50/74/285165074.db2.gz BIXPADICQFETAK-UHFFFAOYSA-N 0 1 330.363 2.841 20 5 EFBDMN COCCOC[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154063583 533135013 /nfs/dbraw/zinc/13/50/13/533135013.db2.gz OPCGSLVJQHMRJQ-ZDUSSCGKSA-N 0 1 328.796 2.733 20 5 EFBDMN COC(=O)COc1ccc(CN2CC(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000459612039 255908270 /nfs/dbraw/zinc/90/82/70/255908270.db2.gz LUCABQMWTPBJDB-UHFFFAOYSA-N 0 1 348.399 2.769 20 5 EFBDMN CS[C@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000117375353 221060010 /nfs/dbraw/zinc/06/00/10/221060010.db2.gz BFMQANVDVSXSOU-UWVGGRQHSA-N 0 1 348.421 2.686 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183820717 533219582 /nfs/dbraw/zinc/21/95/82/533219582.db2.gz ACEFFLYAEWHNDQ-CQSZACIVSA-N 0 1 336.388 2.578 20 5 EFBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000119603989 221357569 /nfs/dbraw/zinc/35/75/69/221357569.db2.gz VFTFJSXGAKRTRA-ZDUSSCGKSA-N 0 1 325.368 2.835 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344466742 142022054 /nfs/dbraw/zinc/02/20/54/142022054.db2.gz SNZXZCKVPIOMFB-STQMWFEESA-N 0 1 337.445 2.628 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344468814 142022671 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325.796 2.803 20 5 EFBDMN O=C(NCc1cccc2cc[nH]c21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000346146969 142154499 /nfs/dbraw/zinc/15/44/99/142154499.db2.gz JDMHXRJWPAADLZ-UHFFFAOYSA-N 0 1 335.323 2.882 20 5 EFBDMN Cc1sc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000346220457 142170387 /nfs/dbraw/zinc/17/03/87/142170387.db2.gz KUSCXAKPOLMSKR-GMXVVIOVSA-N 0 1 337.445 2.767 20 5 EFBDMN O=C(Nc1cc2c(cc1F)CCC(=O)N2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000346367353 142195420 /nfs/dbraw/zinc/19/54/20/142195420.db2.gz OFEAFCXXBCRBEG-UHFFFAOYSA-N 0 1 345.286 2.577 20 5 EFBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc[nH]1 ZINC000347592663 142241600 /nfs/dbraw/zinc/24/16/00/142241600.db2.gz LLTYFASGAKQFEU-UHFFFAOYSA-N 0 1 335.389 2.535 20 5 EFBDMN CN(C)C(=O)NCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000350048140 142394319 /nfs/dbraw/zinc/39/43/19/142394319.db2.gz KZCOEEHRZMFWAW-UHFFFAOYSA-N 0 1 346.387 2.558 20 5 EFBDMN COc1ccc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000341207267 145013299 /nfs/dbraw/zinc/01/32/99/145013299.db2.gz JWRCDYBUTOEJKG-LBPRGKRZSA-N 0 1 329.356 2.893 20 5 EFBDMN Cc1c(NC(=O)[C@@H](C)N(C)CC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342584801 145153240 /nfs/dbraw/zinc/15/32/40/145153240.db2.gz IDWHZQPZYOJBAB-ZIAGYGMSSA-N 0 1 335.404 2.731 20 5 EFBDMN CC(C)C[C@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000342670527 145169842 /nfs/dbraw/zinc/16/98/42/145169842.db2.gz ZZMUHULTGJRYHA-CQSZACIVSA-N 0 1 331.416 2.852 20 5 EFBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342873507 145212941 /nfs/dbraw/zinc/21/29/41/145212941.db2.gz UZOJPSJRCRFTGM-UHFFFAOYSA-N 0 1 349.310 2.509 20 5 EFBDMN O=C1NC[C@H]2[C@@H]1CCCN2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000343629815 145256550 /nfs/dbraw/zinc/25/65/50/145256550.db2.gz YPODFPCHJGSZNV-HOCLYGCPSA-N 0 1 341.367 2.565 20 5 EFBDMN O=C1NC[C@H]2[C@H]1CCCN2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000343629816 145256676 /nfs/dbraw/zinc/25/66/76/145256676.db2.gz YPODFPCHJGSZNV-ZBFHGGJFSA-N 0 1 341.367 2.565 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000343650325 145262105 /nfs/dbraw/zinc/26/21/05/145262105.db2.gz OGVTUTHIUMOYTO-QGZVFWFLSA-N 0 1 326.400 2.661 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000343650323 145262154 /nfs/dbraw/zinc/26/21/54/145262154.db2.gz OGVTUTHIUMOYTO-KRWDZBQOSA-N 0 1 326.400 2.661 20 5 EFBDMN Cc1nc(N2CCN(C)[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000343654618 145263409 /nfs/dbraw/zinc/26/34/09/145263409.db2.gz TYAWUCRGCBHIGH-MRXNPFEDSA-N 0 1 326.400 2.661 20 5 EFBDMN CC[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000343870405 145312769 /nfs/dbraw/zinc/31/27/69/145312769.db2.gz SVXFSIGVCMDLCX-SNVBAGLBSA-N 0 1 338.751 2.559 20 5 EFBDMN O=C(CN1CCC[C@@H](C2CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344058560 145358083 /nfs/dbraw/zinc/35/80/83/145358083.db2.gz KZAWXHFEFLZBOK-OAHLLOKOSA-N 0 1 329.400 2.606 20 5 EFBDMN CC(C)(C)[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000344212838 145394115 /nfs/dbraw/zinc/39/41/15/145394115.db2.gz NJXMPPVKZNQQAQ-CYBMUJFWSA-N 0 1 340.445 2.737 20 5 EFBDMN CC(C)(C)[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000344212840 145394205 /nfs/dbraw/zinc/39/42/05/145394205.db2.gz NJXMPPVKZNQQAQ-ZDUSSCGKSA-N 0 1 340.445 2.737 20 5 EFBDMN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000351991206 146257054 /nfs/dbraw/zinc/25/70/54/146257054.db2.gz RBCTUWMBXSXJPD-UHFFFAOYSA-N 0 1 349.368 2.662 20 5 EFBDMN COC1CCC(C)(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000352130047 146296920 /nfs/dbraw/zinc/29/69/20/146296920.db2.gz WDYJNFYHUXONFN-UHFFFAOYSA-N 0 1 346.387 2.796 20 5 EFBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000352976203 146364207 /nfs/dbraw/zinc/36/42/07/146364207.db2.gz YROHYKZQVAFVBC-UHFFFAOYSA-N 0 1 349.310 2.509 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000353039793 146383100 /nfs/dbraw/zinc/38/31/00/146383100.db2.gz LTMYRDKCSKGHEH-SJLPKXTDSA-N 0 1 342.395 2.652 20 5 EFBDMN C[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000353069405 146389935 /nfs/dbraw/zinc/38/99/35/146389935.db2.gz AEBRAMJMFPFQMJ-GWCFXTLKSA-N 0 1 327.344 2.921 20 5 EFBDMN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cccc2c[nH]nc21 ZINC000353078265 146391607 /nfs/dbraw/zinc/39/16/07/146391607.db2.gz PPQXYJZWSITYLQ-UHFFFAOYSA-N 0 1 349.310 2.509 20 5 EFBDMN CCC1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000355605206 147010216 /nfs/dbraw/zinc/01/02/16/147010216.db2.gz IEQKZDZFYBXEQL-UHFFFAOYSA-N 0 1 336.388 2.769 20 5 EFBDMN COC(=O)COc1ccc(CN2CCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000355723998 147045281 /nfs/dbraw/zinc/04/52/81/147045281.db2.gz GRDWHTMICPGFFT-UHFFFAOYSA-N 0 1 334.372 2.523 20 5 EFBDMN Cc1ccc(F)cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000355838455 147078987 /nfs/dbraw/zinc/07/89/87/147078987.db2.gz HBDWKYOYHBVYTR-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC12CCCCC2 ZINC000356132977 147155972 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COc1cccc(CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356509244 147263671 /nfs/dbraw/zinc/26/36/71/147263671.db2.gz CHTUPMBJNYBKFE-UHFFFAOYSA-N 0 1 330.340 2.672 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000356570183 147279422 /nfs/dbraw/zinc/27/94/22/147279422.db2.gz VYVXYKNOLNPGTO-BQYQJAHWSA-N 0 1 342.384 2.909 20 5 EFBDMN C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000356601619 147287574 /nfs/dbraw/zinc/28/75/74/147287574.db2.gz JEQKUXHSHRTKDF-JTQLQIEISA-N 0 1 334.303 2.637 20 5 EFBDMN COc1cccc(O[C@@H](C)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356632873 147295602 /nfs/dbraw/zinc/29/56/02/147295602.db2.gz JCAQVZRNXZNWNY-NSHDSACASA-N 0 1 346.339 2.506 20 5 EFBDMN O=C(Nc1n[nH]c2c1cccc2Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356734570 147322294 /nfs/dbraw/zinc/32/22/94/147322294.db2.gz VQJIMMLCEJDHEQ-UHFFFAOYSA-N 0 1 332.703 2.504 20 5 EFBDMN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356784242 147334723 /nfs/dbraw/zinc/33/47/23/147334723.db2.gz PQARVMJWQLEGPR-HWPZZCPQSA-N 0 1 348.330 2.946 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1c1ccccc1 ZINC000356792095 147336764 /nfs/dbraw/zinc/33/67/64/147336764.db2.gz ZZMCIEIARQQCQW-MRXNPFEDSA-N 0 1 328.324 2.514 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCc2c(F)cc(F)cc2C1 ZINC000356803363 147340047 /nfs/dbraw/zinc/34/00/47/147340047.db2.gz LZGLZPHWIPJADN-UHFFFAOYSA-N 0 1 334.278 2.777 20 5 EFBDMN COc1cccc2c1CC[C@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356808709 147341633 /nfs/dbraw/zinc/34/16/33/147341633.db2.gz YUFZJOWZHULNDQ-OAHLLOKOSA-N 0 1 328.324 2.726 20 5 EFBDMN CCOc1cc(N2CCC[C@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000356854697 147355457 /nfs/dbraw/zinc/35/54/57/147355457.db2.gz JWPQYVBAVVOXCO-LBPRGKRZSA-N 0 1 331.376 2.804 20 5 EFBDMN CCOc1cc(N2CCC[C@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000356854697 147355459 /nfs/dbraw/zinc/35/54/59/147355459.db2.gz JWPQYVBAVVOXCO-LBPRGKRZSA-N 0 1 331.376 2.804 20 5 EFBDMN CC1CCC(N2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000359659439 148154280 /nfs/dbraw/zinc/15/42/80/148154280.db2.gz UYDGANNKEKTQJW-UHFFFAOYSA-N 0 1 337.445 2.993 20 5 EFBDMN Cc1cc(NCCCN2C[C@@H](C)O[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000359839954 148203980 /nfs/dbraw/zinc/20/39/80/148203980.db2.gz LZADOVIQGAFFNY-CHWSQXEVSA-N 0 1 325.384 2.954 20 5 EFBDMN COc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000359848426 148206440 /nfs/dbraw/zinc/20/64/40/148206440.db2.gz ILIZRUZPIDGCMH-UHFFFAOYSA-N 0 1 344.295 2.682 20 5 EFBDMN COc1ccc(NS(=O)(=O)c2cc(C)oc2C)cc1[N+](=O)[O-] ZINC000359856685 148208649 /nfs/dbraw/zinc/20/86/49/148208649.db2.gz MEQFLQOGJISGGD-UHFFFAOYSA-N 0 1 326.330 2.614 20 5 EFBDMN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000359971232 148238946 /nfs/dbraw/zinc/23/89/46/148238946.db2.gz RYXUYUIKNZFYLZ-UHFFFAOYSA-N 0 1 346.368 2.889 20 5 EFBDMN COc1c(C(=O)Nc2cccc(-c3cn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000360025648 148252422 /nfs/dbraw/zinc/25/24/22/148252422.db2.gz UOGVNHRLCHIZJM-UHFFFAOYSA-N 0 1 339.311 2.641 20 5 EFBDMN Cc1cc(NC[C@@H]2CN(C)CCN2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360066358 148263578 /nfs/dbraw/zinc/26/35/78/148263578.db2.gz OZJCGYYUBGFIGA-LLVKDONJSA-N 0 1 346.353 2.580 20 5 EFBDMN Cn1c(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)ccc1[N+](=O)[O-] ZINC000360145912 148283603 /nfs/dbraw/zinc/28/36/03/148283603.db2.gz AEXWBMQUVMKZPM-UHFFFAOYSA-N 0 1 346.734 2.624 20 5 EFBDMN O=C(N[C@H]1CCCc2c(O)cccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360334613 148334233 /nfs/dbraw/zinc/33/42/33/148334233.db2.gz DNLOKMAFZYMPPT-HNNXBMFYSA-N 0 1 328.324 2.813 20 5 EFBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000360415284 148356453 /nfs/dbraw/zinc/35/64/53/148356453.db2.gz XCQYYKBPBMBHMC-UHFFFAOYSA-N 0 1 328.332 2.878 20 5 EFBDMN Cc1ccc2nc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 ZINC000362641212 148861662 /nfs/dbraw/zinc/86/16/62/148861662.db2.gz JMYFSQFVZVLQKU-UHFFFAOYSA-N 0 1 328.303 2.849 20 5 EFBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CCOCC2)[C@@H]1C ZINC000363793138 149013485 /nfs/dbraw/zinc/01/34/85/149013485.db2.gz HFTCZICICXXJHJ-KGLIPLIRSA-N 0 1 347.415 2.813 20 5 EFBDMN Cc1nn(C)cc1[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000363928693 149033158 /nfs/dbraw/zinc/03/31/58/149033158.db2.gz ZFGHLCPBRRSDCJ-HNNXBMFYSA-N 0 1 330.388 2.853 20 5 EFBDMN CC(C)(C)n1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000365117565 149321751 /nfs/dbraw/zinc/32/17/51/149321751.db2.gz QHYSWLNIQWOYBH-UHFFFAOYSA-N 0 1 332.408 2.580 20 5 EFBDMN COc1cc(CN2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])cc1F ZINC000368367890 150102934 /nfs/dbraw/zinc/10/29/34/150102934.db2.gz WHWMWRFPIJUJOK-LBPRGKRZSA-N 0 1 348.378 2.856 20 5 EFBDMN Cc1ccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000369145354 150284567 /nfs/dbraw/zinc/28/45/67/150284567.db2.gz QZUWNHFRDIWRFV-MRXNPFEDSA-N 0 1 330.388 2.572 20 5 EFBDMN CC(C)(C)c1n[nH]cc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369556336 150387210 /nfs/dbraw/zinc/38/72/10/150387210.db2.gz LECLYFXSISMAGA-UHFFFAOYSA-N 0 1 332.408 2.649 20 5 EFBDMN CCCc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1-c1ccccc1C ZINC000372992627 151094895 /nfs/dbraw/zinc/09/48/95/151094895.db2.gz YQLKPUMAMGCSLN-MLGOLLRUSA-N 0 1 328.372 2.737 20 5 EFBDMN CO[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000373288108 151146932 /nfs/dbraw/zinc/14/69/32/151146932.db2.gz LQTVWXBUMRQLDZ-CQSZACIVSA-N 0 1 332.360 2.646 20 5 EFBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H](OCc3ccccc3F)C2)c1 ZINC000373409013 151165566 /nfs/dbraw/zinc/16/55/66/151165566.db2.gz ZTPVOGWITRCUKV-INIZCTEOSA-N 0 1 348.378 2.612 20 5 EFBDMN Cc1c(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374305930 151318742 /nfs/dbraw/zinc/31/87/42/151318742.db2.gz BCQFQCZIDYWSLB-DLBZAZTESA-N 0 1 339.395 2.731 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000374313864 151320804 /nfs/dbraw/zinc/32/08/04/151320804.db2.gz YTIFSOVIBHNFFW-ROUUACIJSA-N 0 1 339.395 2.731 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000374313859 151321188 /nfs/dbraw/zinc/32/11/88/151321188.db2.gz YTIFSOVIBHNFFW-MSOLQXFVSA-N 0 1 339.395 2.731 20 5 EFBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC3(CCO3)CC2)c1 ZINC000374320850 151322885 /nfs/dbraw/zinc/32/28/85/151322885.db2.gz NJTVXAHWXCBWLW-UHFFFAOYSA-N 0 1 328.315 2.951 20 5 EFBDMN CO[C@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000374703878 151399272 /nfs/dbraw/zinc/39/92/72/151399272.db2.gz WJRGFPQOTSDWLQ-KGLIPLIRSA-N 0 1 335.404 2.731 20 5 EFBDMN CN1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000378275946 152046722 /nfs/dbraw/zinc/04/67/22/152046722.db2.gz XVKXLPZKDQEDNK-CYBMUJFWSA-N 0 1 325.328 2.730 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(Cc2ccccc2)C1 ZINC000378496275 152100464 /nfs/dbraw/zinc/10/04/64/152100464.db2.gz OBGRMOPPXQHHDY-UHFFFAOYSA-N 0 1 336.351 2.786 20 5 EFBDMN CN1CC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@@H]21 ZINC000408463959 152195027 /nfs/dbraw/zinc/19/50/27/152195027.db2.gz HBNWFQXAQQYVDL-MFKMUULPSA-N 0 1 331.397 2.586 20 5 EFBDMN CCN1CCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186018852 265054239 /nfs/dbraw/zinc/05/42/39/265054239.db2.gz IHTFFUNSCRNYKC-CQSZACIVSA-N 0 1 325.796 2.739 20 5 EFBDMN COCCn1c2ccccc2nc1-c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000048880389 272986551 /nfs/dbraw/zinc/98/65/51/272986551.db2.gz XWEZZJONYBQYCU-UHFFFAOYSA-N 0 1 343.339 2.972 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000270658691 265770906 /nfs/dbraw/zinc/77/09/06/265770906.db2.gz JWDCXJPLUCHDRA-WDEREUQCSA-N 0 1 346.391 2.958 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000270717996 265787291 /nfs/dbraw/zinc/78/72/91/265787291.db2.gz HPAZZYRHXPKXLU-QMMMGPOBSA-N 0 1 337.767 2.981 20 5 EFBDMN O=C(CN[C@@H](CCCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000271833155 266074115 /nfs/dbraw/zinc/07/41/15/266074115.db2.gz UVPGJNJQZQGCOF-HNNXBMFYSA-N 0 1 343.383 2.637 20 5 EFBDMN CC(C)C[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000271993016 266116998 /nfs/dbraw/zinc/11/69/98/266116998.db2.gz RJNNSARHVHHFQU-YPMHNXCESA-N 0 1 346.387 2.795 20 5 EFBDMN CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000271993104 266117750 /nfs/dbraw/zinc/11/77/50/266117750.db2.gz GRQBZMGOEPCXNZ-RBUKOAKNSA-N 0 1 341.411 2.617 20 5 EFBDMN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000272215403 266192428 /nfs/dbraw/zinc/19/24/28/266192428.db2.gz QYSVKHWTQODCJI-IINYFYTJSA-N 0 1 340.221 2.888 20 5 EFBDMN CCCC[N@@H+](C)CC1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272479367 266279503 /nfs/dbraw/zinc/27/95/03/266279503.db2.gz FRLDYMDUWJXRRL-UHFFFAOYSA-N 0 1 349.431 2.885 20 5 EFBDMN CC[C@@H](C)Oc1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccn1 ZINC000272485736 266280844 /nfs/dbraw/zinc/28/08/44/266280844.db2.gz BPYNWOYVVZQRSH-LLVKDONJSA-N 0 1 345.355 2.803 20 5 EFBDMN C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000272491430 266282323 /nfs/dbraw/zinc/28/23/23/266282323.db2.gz HGTQSZQOTPEPJX-ZDUSSCGKSA-N 0 1 343.383 2.551 20 5 EFBDMN Cc1n[nH]c(C(F)F)c1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000272500121 266284543 /nfs/dbraw/zinc/28/45/43/266284543.db2.gz VKTGOTUCPGQWRJ-UHFFFAOYSA-N 0 1 339.302 2.639 20 5 EFBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCC[C@@H]1O ZINC000272508135 266288657 /nfs/dbraw/zinc/28/86/57/266288657.db2.gz JSYVAXXLBAPHJB-ZFWWWQNUSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@@H](CN1CCCCC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272512194 266289611 /nfs/dbraw/zinc/28/96/11/266289611.db2.gz KHAURDRLVAYHCC-LBPRGKRZSA-N 0 1 341.358 2.677 20 5 EFBDMN Cn1ccnc1[C@H](NCC(C)(C)CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000272521707 266293197 /nfs/dbraw/zinc/29/31/97/266293197.db2.gz LGPZXLFPZBYAGI-MRXNPFEDSA-N 0 1 346.431 2.806 20 5 EFBDMN CCn1cc(C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cn1 ZINC000272561667 266308572 /nfs/dbraw/zinc/30/85/72/266308572.db2.gz QREGUIDUYNWAHG-UHFFFAOYSA-N 0 1 344.371 2.537 20 5 EFBDMN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272607977 266324536 /nfs/dbraw/zinc/32/45/36/266324536.db2.gz YREXOGHDEJDWIE-IRXDYDNUSA-N 0 1 342.351 2.951 20 5 EFBDMN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCC2 ZINC000272637612 266335801 /nfs/dbraw/zinc/33/58/01/266335801.db2.gz CQYLOTYMXZDNHB-CABCVRRESA-N 0 1 334.372 2.720 20 5 EFBDMN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272694228 266352988 /nfs/dbraw/zinc/35/29/88/266352988.db2.gz RGYBADMJLSDOMX-CQSZACIVSA-N 0 1 330.344 2.618 20 5 EFBDMN COc1ccc(NC(=O)CN2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000102926442 273000431 /nfs/dbraw/zinc/00/04/31/273000431.db2.gz UMZVEEFAKMEOLK-OAHLLOKOSA-N 0 1 333.388 2.806 20 5 EFBDMN Cc1ccc([C@@H](C)N[C@@H](Cc2ccccc2)C(N)=O)cc1[N+](=O)[O-] ZINC000273448332 266500971 /nfs/dbraw/zinc/50/09/71/266500971.db2.gz XOFCCVYVLHTWDP-CJNGLKHVSA-N 0 1 327.384 2.650 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274225134 266627787 /nfs/dbraw/zinc/62/77/87/266627787.db2.gz OPXSXOPLOIBASZ-TZMCWYRMSA-N 0 1 332.404 2.500 20 5 EFBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ncnn1C ZINC000276642131 267028533 /nfs/dbraw/zinc/02/85/33/267028533.db2.gz OZOPKKZYBBAWKU-RYUDHWBXSA-N 0 1 335.433 2.945 20 5 EFBDMN CCOc1cc(CN2CCC(OCCOC)CC2)ccc1[N+](=O)[O-] ZINC000276836616 267058987 /nfs/dbraw/zinc/05/89/87/267058987.db2.gz BSCRSBUJORKNKL-UHFFFAOYSA-N 0 1 338.404 2.621 20 5 EFBDMN CCOc1cc(CN2CCS[C@@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000276866160 267064739 /nfs/dbraw/zinc/06/47/39/267064739.db2.gz HBJSHDPDKIPLHM-GOEBONIOSA-N 0 1 338.429 2.700 20 5 EFBDMN COc1cc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc([N+](=O)[O-])c1C ZINC000276888652 267069545 /nfs/dbraw/zinc/06/95/45/267069545.db2.gz TYVPDXGPBWSKAT-SNVBAGLBSA-N 0 1 347.375 2.644 20 5 EFBDMN CCCNC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276908896 267073657 /nfs/dbraw/zinc/07/36/57/267073657.db2.gz NBMSHWNUWGJOCX-HNNXBMFYSA-N 0 1 349.431 2.732 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)CC12CCCCC2 ZINC000277594326 267207078 /nfs/dbraw/zinc/20/70/78/267207078.db2.gz NWVCPELMLQNQNY-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277664490 267227493 /nfs/dbraw/zinc/22/74/93/267227493.db2.gz FDAODNNWXPJZGD-SMDDNHRTSA-N 0 1 348.321 2.609 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277791121 267264456 /nfs/dbraw/zinc/26/44/56/267264456.db2.gz ONSHEVQDFPPECL-SMDDNHRTSA-N 0 1 348.321 2.609 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC000277979607 267313528 /nfs/dbraw/zinc/31/35/28/267313528.db2.gz VOFICFMCHLOCTI-UWVGGRQHSA-N 0 1 347.375 2.726 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000278031160 267324447 /nfs/dbraw/zinc/32/44/47/267324447.db2.gz YOQLAPZFLTWRSE-WDEREUQCSA-N 0 1 331.376 2.646 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000278037656 267326577 /nfs/dbraw/zinc/32/65/77/267326577.db2.gz ZCHPFZOCLLBBFA-MNOVXSKESA-N 0 1 331.376 2.646 20 5 EFBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCN(CC2CC2)CC1 ZINC000278188920 267364979 /nfs/dbraw/zinc/36/49/79/267364979.db2.gz DKMFEGZVGOMVME-UHFFFAOYSA-N 0 1 330.310 2.541 20 5 EFBDMN CCCCCN(CCCOC)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000278310512 267398446 /nfs/dbraw/zinc/39/84/46/267398446.db2.gz COINMCIDTLYZFJ-UHFFFAOYSA-N 0 1 326.397 2.549 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)CCCOc2ccccc2)c1[N+](=O)[O-] ZINC000264602159 273077141 /nfs/dbraw/zinc/07/71/41/273077141.db2.gz KDNZNYNYDLTCMQ-UHFFFAOYSA-N 0 1 346.387 2.812 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC000271110609 273098236 /nfs/dbraw/zinc/09/82/36/273098236.db2.gz ITYIZPHOFOYXNY-MRVPVSSYSA-N 0 1 337.767 2.981 20 5 EFBDMN Cc1cc(C2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000273561589 273115373 /nfs/dbraw/zinc/11/53/73/273115373.db2.gz BUCXYLUFTKBXEY-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN COC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCCO1 ZINC000279062041 273172099 /nfs/dbraw/zinc/17/20/99/273172099.db2.gz LQCCLZNRUIETTB-DOTOQJQBSA-N 0 1 338.404 2.666 20 5 EFBDMN CC(C)N1CC[C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000279083252 273174600 /nfs/dbraw/zinc/17/46/00/273174600.db2.gz MWJQBTIDIATBBO-HOTGVXAUSA-N 0 1 331.416 2.916 20 5 EFBDMN CC1(C)C[C@@H](NCC(=O)NCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000279103749 273177109 /nfs/dbraw/zinc/17/71/09/273177109.db2.gz OOCBDICWGNJWGN-GFCCVEGCSA-N 0 1 345.321 2.585 20 5 EFBDMN Cc1cc(CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH]n1 ZINC000279325340 273203009 /nfs/dbraw/zinc/20/30/09/273203009.db2.gz PNEHTZXCTIKKSU-UHFFFAOYSA-N 0 1 342.277 2.504 20 5 EFBDMN C[C@H]1CCSCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279380893 273209103 /nfs/dbraw/zinc/20/91/03/273209103.db2.gz XWMQBMSAYKLTRE-NSHDSACASA-N 0 1 334.401 2.972 20 5 EFBDMN CC1(C)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000279805739 273255416 /nfs/dbraw/zinc/25/54/16/273255416.db2.gz XDEICJRAVZYONE-CYBMUJFWSA-N 0 1 340.445 2.552 20 5 EFBDMN C[C@@H](O)C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000279816861 273256666 /nfs/dbraw/zinc/25/66/66/273256666.db2.gz QHFCOXYRCGWXHD-IUODEOHRSA-N 0 1 336.388 2.587 20 5 EFBDMN C[C@@H](O)C[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279978914 273277025 /nfs/dbraw/zinc/27/70/25/273277025.db2.gz ZIYFZLGOSZRVDQ-IUODEOHRSA-N 0 1 346.387 2.770 20 5 EFBDMN CCOc1cc(N2CCN(C[C@@H]3CC[C@@H](C)O3)CC2)ccc1[N+](=O)[O-] ZINC000280199193 273301433 /nfs/dbraw/zinc/30/14/33/273301433.db2.gz IVEMEYCTAUYNMT-ZBFHGGJFSA-N 0 1 349.431 2.683 20 5 EFBDMN CCOc1cc(N2CCN(CCCCOC)CC2)ccc1[N+](=O)[O-] ZINC000280306262 273313770 /nfs/dbraw/zinc/31/37/70/273313770.db2.gz WLGBGJBBOGMGOW-UHFFFAOYSA-N 0 1 337.420 2.542 20 5 EFBDMN CO[C@]1(C)CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000280340484 273317637 /nfs/dbraw/zinc/31/76/37/273317637.db2.gz IGMMAEULZIJLST-CXAGYDPISA-N 0 1 335.404 2.813 20 5 EFBDMN C[C@H](CO)N(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCC1 ZINC000280361287 273319820 /nfs/dbraw/zinc/31/98/20/273319820.db2.gz JTGABZFAJMAJLQ-GFCCVEGCSA-N 0 1 346.387 2.628 20 5 EFBDMN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NO[C@H]1CCCCO1 ZINC000280634726 273349135 /nfs/dbraw/zinc/34/91/35/273349135.db2.gz MGDUTTBXXNKPGZ-ZDUSSCGKSA-N 0 1 332.715 2.504 20 5 EFBDMN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NO[C@@H]1CCCCO1 ZINC000280634723 273349202 /nfs/dbraw/zinc/34/92/02/273349202.db2.gz MGDUTTBXXNKPGZ-CYBMUJFWSA-N 0 1 332.715 2.504 20 5 EFBDMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000282071813 273510154 /nfs/dbraw/zinc/51/01/54/273510154.db2.gz NAHBDNKXOKHGGM-BEMMVCDISA-N 0 1 348.399 2.702 20 5 EFBDMN O=C(Nc1ccccc1)N1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000282995132 273651621 /nfs/dbraw/zinc/65/16/21/273651621.db2.gz NGJMUERIVFLDFV-INIZCTEOSA-N 0 1 340.383 2.991 20 5 EFBDMN CC[C@H](C)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000055085196 273744239 /nfs/dbraw/zinc/74/42/39/273744239.db2.gz YWVLUINIKDRQDS-JTQLQIEISA-N 0 1 343.225 2.673 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(Cc2ccccc2C)CC1 ZINC000360880185 273778895 /nfs/dbraw/zinc/77/88/95/273778895.db2.gz ROYMYIZZFFMIKW-UHFFFAOYSA-N 0 1 343.431 2.750 20 5 EFBDMN CCS(=O)(=O)CCCCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285459853 274003839 /nfs/dbraw/zinc/00/38/39/274003839.db2.gz ZEXVSVDGKBBYSK-UHFFFAOYSA-N 0 1 342.461 2.674 20 5 EFBDMN COC[C@@H]1CCCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342738249 274045502 /nfs/dbraw/zinc/04/55/02/274045502.db2.gz UTLGUXGWPGYJIS-UONOGXRCSA-N 0 1 335.404 2.670 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1c1cc[nH]n1 ZINC000285894284 274095886 /nfs/dbraw/zinc/09/58/86/274095886.db2.gz DENURQBADIYHAK-AWEZNQCLSA-N 0 1 340.343 2.562 20 5 EFBDMN CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CCN1CCOC ZINC000286062818 274125810 /nfs/dbraw/zinc/12/58/10/274125810.db2.gz APIBUQKGIJZUJT-INIZCTEOSA-N 0 1 349.431 2.735 20 5 EFBDMN CSCC[C@@H](C)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000126485517 274175616 /nfs/dbraw/zinc/17/56/16/274175616.db2.gz LISQOMJNBYAQND-GFCCVEGCSA-N 0 1 337.445 2.557 20 5 EFBDMN CCN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000286380368 274189296 /nfs/dbraw/zinc/18/92/96/274189296.db2.gz GQSFHIZSDZXYTR-ZDUSSCGKSA-N 0 1 330.388 2.776 20 5 EFBDMN Cc1nc([C@H](C)Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000286662953 274245898 /nfs/dbraw/zinc/24/58/98/274245898.db2.gz XDXLSQDDQGYNGQ-JTQLQIEISA-N 0 1 339.359 2.960 20 5 EFBDMN C[C@H]1CCC[N@@H+](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000286671991 274247759 /nfs/dbraw/zinc/24/77/59/274247759.db2.gz PMCUIQXPNBVJLT-HNNXBMFYSA-N 0 1 348.447 2.511 20 5 EFBDMN Cc1c(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000286740189 274263126 /nfs/dbraw/zinc/26/31/26/274263126.db2.gz YBPKXQGWLGTKIH-OLZOCXBDSA-N 0 1 332.322 2.896 20 5 EFBDMN Cc1c(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000286740200 274263295 /nfs/dbraw/zinc/26/32/95/274263295.db2.gz YBPKXQGWLGTKIH-STQMWFEESA-N 0 1 332.322 2.896 20 5 EFBDMN CN1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000286752078 274265799 /nfs/dbraw/zinc/26/57/99/274265799.db2.gz OQBYRHVNTOROHZ-INIZCTEOSA-N 0 1 326.400 2.540 20 5 EFBDMN COCCN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000287261128 274380293 /nfs/dbraw/zinc/38/02/93/274380293.db2.gz HGPJRZUWNAYZGQ-UHFFFAOYSA-N 0 1 331.372 2.517 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccco1)N1CCCC1 ZINC000288156715 274537915 /nfs/dbraw/zinc/53/79/15/274537915.db2.gz OWPYSVLYUWUWHG-CYBMUJFWSA-N 0 1 333.392 2.962 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(N2CCCNC2=O)CC1 ZINC000182918435 274763572 /nfs/dbraw/zinc/76/35/72/274763572.db2.gz NFXGHMLFRVYVRX-CQSZACIVSA-N 0 1 346.431 2.844 20 5 EFBDMN O=C1[C@H](N2CCC[C@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344100704 275029232 /nfs/dbraw/zinc/02/92/32/275029232.db2.gz NMRLAFZKFAWRQE-WMLDXEAASA-N 0 1 329.400 2.822 20 5 EFBDMN CC(C)CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000043008728 275890865 /nfs/dbraw/zinc/89/08/65/275890865.db2.gz XJADGTIZLHAZBP-UHFFFAOYSA-N 0 1 325.796 2.662 20 5 EFBDMN CO[C@]1(C)C[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000072897779 277359981 /nfs/dbraw/zinc/35/99/81/277359981.db2.gz DSIIUQMKZAENFD-MAUKXSAKSA-N 0 1 349.431 2.693 20 5 EFBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000432185626 277851871 /nfs/dbraw/zinc/85/18/71/277851871.db2.gz IRXGWQZERWMKGT-SECBINFHSA-N 0 1 332.287 2.867 20 5 EFBDMN C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000358351807 278281347 /nfs/dbraw/zinc/28/13/47/278281347.db2.gz LHTAKXAPKYAPNN-JQWIXIFHSA-N 0 1 345.321 2.799 20 5 EFBDMN Cc1cc(N2CCCC3(C2)OCCO3)c2cc([N+](=O)[O-])ccc2n1 ZINC000097370722 278708588 /nfs/dbraw/zinc/70/85/88/278708588.db2.gz JXVLIYUVQMQTLH-UHFFFAOYSA-N 0 1 329.356 2.795 20 5 EFBDMN C[C@@H]1C[C@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000414266890 278965143 /nfs/dbraw/zinc/96/51/43/278965143.db2.gz SJGMFMYNGLSEAM-SMKXDYDZSA-N 0 1 344.415 2.821 20 5 EFBDMN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159526086 280181945 /nfs/dbraw/zinc/18/19/45/280181945.db2.gz MGZLOOCROBDQKB-PHIMTYICSA-N 0 1 343.305 2.580 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000264764227 280188576 /nfs/dbraw/zinc/18/85/76/280188576.db2.gz OOSAVTRQRAVIMU-NSHDSACASA-N 0 1 334.763 2.909 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000360887719 280373089 /nfs/dbraw/zinc/37/30/89/280373089.db2.gz WVKNHLPUSALGDJ-IJLUTSLNSA-N 0 1 342.392 2.981 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000067116686 292693428 /nfs/dbraw/zinc/69/34/28/292693428.db2.gz QFWQLAFGGRXBJH-UHFFFAOYSA-N 0 1 346.368 2.834 20 5 EFBDMN CSCC[C@@H](C)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000126363534 293036507 /nfs/dbraw/zinc/03/65/07/293036507.db2.gz GKKLMXPORVMFOZ-GFCCVEGCSA-N 0 1 325.434 2.915 20 5 EFBDMN Cc1c(CC(=O)NCc2nc3ccc(F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000126536246 293042375 /nfs/dbraw/zinc/04/23/75/293042375.db2.gz PXYPIQHFGUKLBE-UHFFFAOYSA-N 0 1 342.330 2.778 20 5 EFBDMN C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130409098 293164585 /nfs/dbraw/zinc/16/45/85/293164585.db2.gz QGRRVPVNBBMZNP-ZDUSSCGKSA-N 0 1 335.404 2.542 20 5 EFBDMN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130408456 293164770 /nfs/dbraw/zinc/16/47/70/293164770.db2.gz WJSYDQFPBWMDGV-CYBMUJFWSA-N 0 1 335.404 2.685 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000131784990 293208196 /nfs/dbraw/zinc/20/81/96/293208196.db2.gz CGAYPCLHKYSDOW-INIZCTEOSA-N 0 1 349.337 2.906 20 5 EFBDMN CCC[C@]1(CO)CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000290162930 294015400 /nfs/dbraw/zinc/01/54/00/294015400.db2.gz MBLCGCLHKORTFJ-KRWDZBQOSA-N 0 1 338.404 2.597 20 5 EFBDMN CCc1[nH]nc(C(=O)N2Cc3ccccc3OC(C)(C)C2)c1[N+](=O)[O-] ZINC000290537850 294113671 /nfs/dbraw/zinc/11/36/71/294113671.db2.gz DACGJGNOMNBXGH-UHFFFAOYSA-N 0 1 344.371 2.694 20 5 EFBDMN O=C(NC[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)C(F)(F)F ZINC000290774936 294182065 /nfs/dbraw/zinc/18/20/65/294182065.db2.gz VVDOOYAYLKSMGB-SECBINFHSA-N 0 1 349.284 2.629 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCc2occc2C1 ZINC000290799157 294188747 /nfs/dbraw/zinc/18/87/47/294188747.db2.gz YABBPPJHBUONTD-UHFFFAOYSA-N 0 1 326.312 2.653 20 5 EFBDMN CC(C)NC(=O)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290821901 294195231 /nfs/dbraw/zinc/19/52/31/294195231.db2.gz HDYJQGDMAFDKSM-UHFFFAOYSA-N 0 1 334.203 2.906 20 5 EFBDMN COc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000291245145 294322727 /nfs/dbraw/zinc/32/27/27/294322727.db2.gz LMANVPPXLREFHO-IBGZPJMESA-N 0 1 342.395 2.739 20 5 EFBDMN C[C@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000291292564 294338255 /nfs/dbraw/zinc/33/82/55/294338255.db2.gz BQRLKGGONWGQOV-MRXNPFEDSA-N 0 1 348.380 2.580 20 5 EFBDMN COC(=O)c1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)n(C)c1C ZINC000291300714 294341099 /nfs/dbraw/zinc/34/10/99/294341099.db2.gz WRNOADXKZGXGDW-LLVKDONJSA-N 0 1 331.372 2.879 20 5 EFBDMN CCC[C@H](C)C(=O)NCCNCc1cc([N+](=O)[O-])ccc1OCC ZINC000292633623 294743080 /nfs/dbraw/zinc/74/30/80/294743080.db2.gz JRRIKDMMOLJXFK-ZDUSSCGKSA-N 0 1 337.420 2.636 20 5 EFBDMN CCOc1cc(CN2CCC3(CC2)OCCCO3)ccc1[N+](=O)[O-] ZINC000292995213 294847263 /nfs/dbraw/zinc/84/72/63/294847263.db2.gz MPJKMJQINBIALJ-UHFFFAOYSA-N 0 1 336.388 2.723 20 5 EFBDMN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000294242316 295134012 /nfs/dbraw/zinc/13/40/12/295134012.db2.gz OXZKFBFIAFJSOM-AOOOYVTPSA-N 0 1 326.784 2.805 20 5 EFBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000294474336 295173044 /nfs/dbraw/zinc/17/30/44/295173044.db2.gz BEKGBGQFVUAUKR-VFZGTOFNSA-N 0 1 348.380 2.794 20 5 EFBDMN CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294594352 295191416 /nfs/dbraw/zinc/19/14/16/295191416.db2.gz CZUDLASTRRNPBD-LLVKDONJSA-N 0 1 331.420 2.886 20 5 EFBDMN COC(=O)c1cc(NC(=O)c2cn[nH]c2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000294854303 295236898 /nfs/dbraw/zinc/23/68/98/295236898.db2.gz BMJJLIOGUXZUSQ-UHFFFAOYSA-N 0 1 346.343 2.654 20 5 EFBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1n[nH]c(C2CC2)n1 ZINC000294942201 295248836 /nfs/dbraw/zinc/24/88/36/295248836.db2.gz LJTOFJQITHOWCB-UHFFFAOYSA-N 0 1 328.254 2.616 20 5 EFBDMN COc1cc(CN(C)[C@@H](C)C(C)(C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000295131496 295272020 /nfs/dbraw/zinc/27/20/20/295272020.db2.gz JVRKXGPGMPVTAY-VIFPVBQESA-N 0 1 348.346 2.796 20 5 EFBDMN CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000295481479 295327850 /nfs/dbraw/zinc/32/78/50/295327850.db2.gz ZTZPQWXFPRDERS-NSHDSACASA-N 0 1 345.321 2.780 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n[nH]1 ZINC000295571534 295342738 /nfs/dbraw/zinc/34/27/38/295342738.db2.gz RETQQSQILFZTMP-MRVPVSSYSA-N 0 1 337.767 2.728 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n[nH]1 ZINC000295571541 295342836 /nfs/dbraw/zinc/34/28/36/295342836.db2.gz RETQQSQILFZTMP-QMMMGPOBSA-N 0 1 337.767 2.728 20 5 EFBDMN CO[C@@H]1[C@H](C)[C@@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000295844432 295384884 /nfs/dbraw/zinc/38/48/84/295384884.db2.gz DGQBOBMRIBMYKQ-VCTAVGKDSA-N 0 1 346.387 2.794 20 5 EFBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000295912715 295395775 /nfs/dbraw/zinc/39/57/75/295395775.db2.gz DVOFKJULHFFQNH-ZIAGYGMSSA-N 0 1 349.431 2.713 20 5 EFBDMN CC[C@@H](C)N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000296133875 295429577 /nfs/dbraw/zinc/42/95/77/295429577.db2.gz WUMSFCXZZQLIKF-SNVBAGLBSA-N 0 1 332.326 2.929 20 5 EFBDMN CC[C@H](C)N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000296133870 295429627 /nfs/dbraw/zinc/42/96/27/295429627.db2.gz WUMSFCXZZQLIKF-JTQLQIEISA-N 0 1 332.326 2.929 20 5 EFBDMN CCn1cc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000296229071 295444757 /nfs/dbraw/zinc/44/47/57/295444757.db2.gz WMEGOXOYPHAHOS-STQMWFEESA-N 0 1 345.403 2.797 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCC1 ZINC000416509986 304799488 /nfs/dbraw/zinc/79/94/88/304799488.db2.gz WADQXNJTVTZCPT-UHFFFAOYSA-N 0 1 325.173 2.732 20 5 EFBDMN Cc1cc(C)cc(-c2nnc(NC(=O)c3n[nH]cc3[N+](=O)[O-])s2)c1 ZINC000159822459 310691942 /nfs/dbraw/zinc/69/19/42/310691942.db2.gz MRIVBPFRHLKASZ-UHFFFAOYSA-N 0 1 344.356 2.706 20 5 EFBDMN C[C@H](NCC(=O)NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180401608 310798962 /nfs/dbraw/zinc/79/89/62/310798962.db2.gz SKBPEQYXEHCQRR-LBPRGKRZSA-N 0 1 331.347 2.701 20 5 EFBDMN Cc1nc(NC[C@H](c2ccco2)N2CCCCC2)ncc1[N+](=O)[O-] ZINC000296600057 310828712 /nfs/dbraw/zinc/82/87/12/310828712.db2.gz SRUXYBMHNBIVCT-CQSZACIVSA-N 0 1 331.376 2.925 20 5 EFBDMN Cc1cc(F)c(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000296620533 310831216 /nfs/dbraw/zinc/83/12/16/310831216.db2.gz BMXCKDDGWSMALS-GFCCVEGCSA-N 0 1 334.351 2.520 20 5 EFBDMN C[C@@H](CNc1nccc2cc([N+](=O)[O-])ccc21)CN1CCOCC1 ZINC000297010017 310841547 /nfs/dbraw/zinc/84/15/47/310841547.db2.gz GKOVKPOKAXBFJO-ZDUSSCGKSA-N 0 1 330.388 2.523 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000297303974 310878517 /nfs/dbraw/zinc/87/85/17/310878517.db2.gz HYCFSXQXKUKOAX-KGLIPLIRSA-N 0 1 334.420 2.782 20 5 EFBDMN C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000297839921 310934216 /nfs/dbraw/zinc/93/42/16/310934216.db2.gz WLZGTKHMPHUMKI-CQSZACIVSA-N 0 1 342.399 2.677 20 5 EFBDMN CC[C@H]1CO[C@H](C)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000299231063 311063675 /nfs/dbraw/zinc/06/36/75/311063675.db2.gz PWFVHFPWHBDXQO-KGLIPLIRSA-N 0 1 335.404 2.731 20 5 EFBDMN COCCCN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000299254972 311065773 /nfs/dbraw/zinc/06/57/73/311065773.db2.gz DMYUSVQRDOSXRI-SNVBAGLBSA-N 0 1 329.784 2.544 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCCc2occc21 ZINC000299414611 311082395 /nfs/dbraw/zinc/08/23/95/311082395.db2.gz QBMWCPUFLZWADA-NSHDSACASA-N 0 1 340.332 2.683 20 5 EFBDMN COc1ccnc(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000301189605 311123491 /nfs/dbraw/zinc/12/34/91/311123491.db2.gz LAYAGKIDZHCDIE-UHFFFAOYSA-N 0 1 348.790 2.978 20 5 EFBDMN COC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301404612 311135655 /nfs/dbraw/zinc/13/56/55/311135655.db2.gz KYVQHZLWYFUKFI-LLVKDONJSA-N 0 1 347.337 2.771 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCC(c3nc[nH]n3)CC2)cc1OC(F)F ZINC000301551285 311144041 /nfs/dbraw/zinc/14/40/41/311144041.db2.gz FZWHAYPTHKTIHX-UHFFFAOYSA-N 0 1 339.302 2.698 20 5 EFBDMN O=[N+]([O-])c1c(NCCc2nc3ccc(F)cc3[nH]2)nc2sccn21 ZINC000301564639 311144874 /nfs/dbraw/zinc/14/48/74/311144874.db2.gz VFHBGIPSIIXQRZ-UHFFFAOYSA-N 0 1 346.347 2.974 20 5 EFBDMN CC(=O)c1ccc(N2CCC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000301627572 311148486 /nfs/dbraw/zinc/14/84/86/311148486.db2.gz BHWAMDAXSQYNFB-CYBMUJFWSA-N 0 1 329.360 2.608 20 5 EFBDMN CC(=O)c1ccc(N2CCC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000301627572 311148487 /nfs/dbraw/zinc/14/84/87/311148487.db2.gz BHWAMDAXSQYNFB-CYBMUJFWSA-N 0 1 329.360 2.608 20 5 EFBDMN Cc1cc(NC[C@H](C)CN2CCOCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301984738 311170342 /nfs/dbraw/zinc/17/03/42/311170342.db2.gz CDTCOHQGSNSHPV-ZDUSSCGKSA-N 0 1 344.415 2.832 20 5 EFBDMN Cc1cc(N[C@@H](C)c2nnc[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302021167 311172703 /nfs/dbraw/zinc/17/27/03/311172703.db2.gz FIIZDHBJBDJROC-JTQLQIEISA-N 0 1 325.332 2.651 20 5 EFBDMN Cc1cc(N(C)CCN2CCCC2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302132831 311179556 /nfs/dbraw/zinc/17/95/56/311179556.db2.gz CIZHKVYPFLKDRC-UHFFFAOYSA-N 0 1 328.372 2.510 20 5 EFBDMN Cc1cc(N2CCC(CC(N)=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302167833 311182002 /nfs/dbraw/zinc/18/20/02/311182002.db2.gz LKCDQIBHDNZWBY-UHFFFAOYSA-N 0 1 328.372 2.543 20 5 EFBDMN Cc1cc(NCc2n[nH]c(COc3ccccc3)n2)ncc1[N+](=O)[O-] ZINC000302259895 311187300 /nfs/dbraw/zinc/18/73/00/311187300.db2.gz PGGHZBWTDADAMA-UHFFFAOYSA-N 0 1 340.343 2.607 20 5 EFBDMN C[C@H](O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000302434743 311190120 /nfs/dbraw/zinc/19/01/20/311190120.db2.gz LYYDDLZOLCUSGQ-MNOVXSKESA-N 0 1 347.337 2.505 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000302545097 311192766 /nfs/dbraw/zinc/19/27/66/311192766.db2.gz UPAODMUCJGBFBS-HRCADAONSA-N 0 1 333.432 2.981 20 5 EFBDMN CC1(C)CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1CCO ZINC000302568654 311193560 /nfs/dbraw/zinc/19/35/60/311193560.db2.gz XYGUTDWBQIIDQE-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN CCN1C[C@@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000330546072 311321278 /nfs/dbraw/zinc/32/12/78/311321278.db2.gz CCQCWKFZTFRWJO-CHWSQXEVSA-N 0 1 345.403 2.559 20 5 EFBDMN CCN1C[C@H](C)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000330573778 311322525 /nfs/dbraw/zinc/32/25/25/311322525.db2.gz NOFJQHDMXFCJRT-STQMWFEESA-N 0 1 345.403 2.559 20 5 EFBDMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000331299642 311365872 /nfs/dbraw/zinc/36/58/72/311365872.db2.gz VPLMWSGKFDJERT-JMSVASOKSA-N 0 1 346.387 2.626 20 5 EFBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000331497070 311382911 /nfs/dbraw/zinc/38/29/11/311382911.db2.gz LFLBXRMXYPKGGN-LLVKDONJSA-N 0 1 343.305 2.580 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN(Cc2cccc(F)c2)CC1 ZINC000339021590 311712679 /nfs/dbraw/zinc/71/26/79/311712679.db2.gz LTQNROCKFSGAJB-UHFFFAOYSA-N 0 1 345.374 2.757 20 5 EFBDMN CC(C)[C@@H]1N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000412763471 312009672 /nfs/dbraw/zinc/00/96/72/312009672.db2.gz XDDWCXNQAPAFJY-HNNXBMFYSA-N 0 1 334.372 2.578 20 5 EFBDMN COc1ccc(CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1Cl ZINC000412798466 312015105 /nfs/dbraw/zinc/01/51/05/312015105.db2.gz QCIHYSOJBZMNRE-UHFFFAOYSA-N 0 1 338.751 2.561 20 5 EFBDMN CCC[C@H]1CNCCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417848306 312281020 /nfs/dbraw/zinc/28/10/20/312281020.db2.gz KMUQBOSWZNKRCH-HIFRSBDPSA-N 0 1 334.420 2.748 20 5 EFBDMN CCC[C@@H]1CNCCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417848307 312281081 /nfs/dbraw/zinc/28/10/81/312281081.db2.gz KMUQBOSWZNKRCH-UKRRQHHQSA-N 0 1 334.420 2.748 20 5 EFBDMN Cc1c(CNCc2ccccc2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000418039199 312314539 /nfs/dbraw/zinc/31/45/39/312314539.db2.gz SREYXTGUXBJFIY-UHFFFAOYSA-N 0 1 327.384 2.895 20 5 EFBDMN Cc1c(Br)c(N(C)C[C@H]2CCCN2C)ncc1[N+](=O)[O-] ZINC000420641063 312377667 /nfs/dbraw/zinc/37/76/67/312377667.db2.gz UHPSAGBIUSPMKO-SNVBAGLBSA-N 0 1 343.225 2.591 20 5 EFBDMN Cc1ncccc1NC(=O)[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453415940 312900809 /nfs/dbraw/zinc/90/08/09/312900809.db2.gz BMTNUZUVTBUOCP-YPMHNXCESA-N 0 1 328.372 2.976 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCc2ccccc2CC1 ZINC000456316607 313038520 /nfs/dbraw/zinc/03/85/20/313038520.db2.gz RQYBMCBPBAVTGV-UHFFFAOYSA-N 0 1 326.352 2.932 20 5 EFBDMN C[C@@H](C(=O)NCc1n[nH]c(C(C)(C)C)n1)c1ccc([N+](=O)[O-])cc1F ZINC000458019476 313055530 /nfs/dbraw/zinc/05/55/30/313055530.db2.gz DSEFTJIKLHZPDA-SECBINFHSA-N 0 1 349.366 2.569 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458023791 313056773 /nfs/dbraw/zinc/05/67/73/313056773.db2.gz ISPMGLOMVHVHFL-UHFFFAOYSA-N 0 1 345.403 2.866 20 5 EFBDMN C[C@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)[N@H+]1CCC[C@@H](C)C1 ZINC000486937389 313350150 /nfs/dbraw/zinc/35/01/50/313350150.db2.gz MFVNXNDBWMLPMG-CHWSQXEVSA-N 0 1 345.403 2.599 20 5 EFBDMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486957570 313351843 /nfs/dbraw/zinc/35/18/43/313351843.db2.gz QJFVFBCPZRXHFP-BETUJISGSA-N 0 1 345.403 2.742 20 5 EFBDMN CC(C)[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCN1C ZINC000487094973 313365670 /nfs/dbraw/zinc/36/56/70/313365670.db2.gz CCWDURQFVJLKPJ-GFCCVEGCSA-N 0 1 343.225 2.529 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@H]1c1nnc[nH]1 ZINC000493082219 314234469 /nfs/dbraw/zinc/23/44/69/314234469.db2.gz HNFXFXJCGYRGII-IYNGYCSASA-N 0 1 345.334 2.619 20 5 EFBDMN COc1cc(CN[C@]2(C)CCO[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000494250569 314565124 /nfs/dbraw/zinc/56/51/24/314565124.db2.gz JQUJOEWATWXGBU-BJOHPYRUSA-N 0 1 346.330 2.862 20 5 EFBDMN Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000515383599 315614264 /nfs/dbraw/zinc/61/42/64/315614264.db2.gz ODKDGHKMJUKZPN-UHFFFAOYSA-N 0 1 349.412 2.766 20 5 EFBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cn3ccsc3n2)n1 ZINC000520720195 315974759 /nfs/dbraw/zinc/97/47/59/315974759.db2.gz YJQYGJXPMZSZPL-CHWSQXEVSA-N 0 1 346.416 2.774 20 5 EFBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cn3ccsc3n2)n1 ZINC000520720198 315974870 /nfs/dbraw/zinc/97/48/70/315974870.db2.gz YJQYGJXPMZSZPL-STQMWFEESA-N 0 1 346.416 2.774 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H]2CCCN2c2ccccc21 ZINC000547792738 318042167 /nfs/dbraw/zinc/04/21/67/318042167.db2.gz CVCPQDPKKBJHCQ-CYBMUJFWSA-N 0 1 339.351 2.930 20 5 EFBDMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1c[nH]nc1[N+](=O)[O-] ZINC000548927588 318157496 /nfs/dbraw/zinc/15/74/96/318157496.db2.gz DQFJGOCTQDCDNN-UHFFFAOYSA-N 0 1 338.283 2.707 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(N2CCN(C)[C@H](Cc3ccccc3)C2)c1 ZINC000549552627 318176951 /nfs/dbraw/zinc/17/69/51/318176951.db2.gz HLUNGUYEBRWSQM-MRXNPFEDSA-N 0 1 341.411 2.967 20 5 EFBDMN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC000549930108 318185205 /nfs/dbraw/zinc/18/52/05/318185205.db2.gz KLNLUVHOGINRNS-VIFPVBQESA-N 0 1 341.776 2.683 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccccc2Cl)c1 ZINC000555516076 318358995 /nfs/dbraw/zinc/35/89/95/318358995.db2.gz NBCIYMVASVUTNN-CQSZACIVSA-N 0 1 336.775 2.778 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000566007122 319022951 /nfs/dbraw/zinc/02/29/51/319022951.db2.gz GQKGFKIIXMTVPW-HUUCEWRRSA-N 0 1 347.415 2.733 20 5 EFBDMN C[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000567505230 319178846 /nfs/dbraw/zinc/17/88/46/319178846.db2.gz REHMQMYKLQMJFU-QWHCGFSZSA-N 0 1 335.404 2.754 20 5 EFBDMN C[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000567505229 319179041 /nfs/dbraw/zinc/17/90/41/319179041.db2.gz REHMQMYKLQMJFU-OLZOCXBDSA-N 0 1 335.404 2.754 20 5 EFBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000568072425 319243805 /nfs/dbraw/zinc/24/38/05/319243805.db2.gz AQQNYSSCKAEKAK-YGRLFVJLSA-N 0 1 331.328 2.545 20 5 EFBDMN COc1cc(CN2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])cc1OC ZINC000568632854 319303371 /nfs/dbraw/zinc/30/33/71/319303371.db2.gz KHGJMTPSFJHRSJ-AWEZNQCLSA-N 0 1 343.383 2.997 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000569110081 319349450 /nfs/dbraw/zinc/34/94/50/319349450.db2.gz FOAHVECRFOVLHO-KRWDZBQOSA-N 0 1 342.351 2.787 20 5 EFBDMN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC000571351848 319565846 /nfs/dbraw/zinc/56/58/46/319565846.db2.gz KLNLUVHOGINRNS-SECBINFHSA-N 0 1 341.776 2.683 20 5 EFBDMN Cc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576470066 320018781 /nfs/dbraw/zinc/01/87/81/320018781.db2.gz XPJXSUPLQIKSGR-CYBMUJFWSA-N 0 1 335.404 2.991 20 5 EFBDMN CC(C)Oc1nc(NC[C@H](c2ccco2)N(C)C)ccc1[N+](=O)[O-] ZINC000576597593 320031529 /nfs/dbraw/zinc/03/15/29/320031529.db2.gz WVOKAPXMRKHOOW-CYBMUJFWSA-N 0 1 334.376 2.507 20 5 EFBDMN CC(C)(C)N1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000576702918 320040409 /nfs/dbraw/zinc/04/04/09/320040409.db2.gz CSQUMHJQJHPGIG-HZPDHXFCSA-N 0 1 331.416 2.961 20 5 EFBDMN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCC(=O)N(C)C1 ZINC000577188277 320086292 /nfs/dbraw/zinc/08/62/92/320086292.db2.gz BYPVRALGPAAKFC-LBPRGKRZSA-N 0 1 345.321 2.666 20 5 EFBDMN Cc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000577373310 320104580 /nfs/dbraw/zinc/10/45/80/320104580.db2.gz PNFRHOMEUDPJAI-UHFFFAOYSA-N 0 1 349.412 2.766 20 5 EFBDMN Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577733801 320139086 /nfs/dbraw/zinc/13/90/86/320139086.db2.gz DIBCICMNZRLPIX-UHFFFAOYSA-N 0 1 330.344 2.709 20 5 EFBDMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000577958398 320160330 /nfs/dbraw/zinc/16/03/30/320160330.db2.gz JAHPGQHQOKLULT-GOSISDBHSA-N 0 1 326.352 2.823 20 5 EFBDMN Cc1c(CNCc2cnc(N3CCCC3)nc2)cccc1[N+](=O)[O-] ZINC000578107819 320172770 /nfs/dbraw/zinc/17/27/70/320172770.db2.gz QYYZJHLPSGZYPC-UHFFFAOYSA-N 0 1 327.388 2.583 20 5 EFBDMN C[C@@H]1CCC[C@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182207754 323269038 /nfs/dbraw/zinc/26/90/38/323269038.db2.gz FFVAVAHMBWYQTH-HIFRSBDPSA-N 0 1 340.445 2.879 20 5 EFBDMN CC[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000182326212 323277098 /nfs/dbraw/zinc/27/70/98/323277098.db2.gz JAWUZHSHERDTBI-UONOGXRCSA-N 0 1 332.360 2.692 20 5 EFBDMN CC[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCO1 ZINC000182370173 323279508 /nfs/dbraw/zinc/27/95/08/323279508.db2.gz XJSDYTTYJANNSN-ZIAGYGMSSA-N 0 1 332.360 2.692 20 5 EFBDMN Cc1oc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C(=O)[O-] ZINC000579967744 324070590 /nfs/dbraw/zinc/07/05/90/324070590.db2.gz WSLATBUGNWZJSO-UHFFFAOYSA-N 0 1 345.355 2.517 20 5 EFBDMN CC1(C)C(=O)N[C@H]1C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000581380048 324365433 /nfs/dbraw/zinc/36/54/33/324365433.db2.gz GFPHXMZCRBCZKE-WVRJYTFGSA-N 0 1 343.427 2.845 20 5 EFBDMN CC1(C)C(=O)N[C@@H]1C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000581380046 324365880 /nfs/dbraw/zinc/36/58/80/324365880.db2.gz GFPHXMZCRBCZKE-QQOXCAACSA-N 0 1 343.427 2.845 20 5 EFBDMN Cc1cc(NCCN2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000531304943 448059489 /nfs/dbraw/zinc/05/94/89/448059489.db2.gz WWQMOUJNCOUKGS-UHFFFAOYSA-N 0 1 341.415 2.532 20 5 EFBDMN O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1ccn(-c2ccncc2)n1 ZINC000491868914 468365758 /nfs/dbraw/zinc/36/57/58/468365758.db2.gz MDXSNIFNTDSZTQ-WAYWQWQTSA-N 0 1 335.323 2.827 20 5 EFBDMN Cc1cnn(-c2ccncc2NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000124085579 473210848 /nfs/dbraw/zinc/21/08/48/473210848.db2.gz QNBDATLDHWQPEZ-UHFFFAOYSA-N 0 1 329.341 2.798 20 5 EFBDMN CCOC[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081523682 473214595 /nfs/dbraw/zinc/21/45/95/473214595.db2.gz HOGDMHUEIBOUOD-GFCCVEGCSA-N 0 1 332.360 2.503 20 5 EFBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161408582 473233941 /nfs/dbraw/zinc/23/39/41/473233941.db2.gz XQFBOLWJEGEZGB-CQSZACIVSA-N 0 1 327.388 2.512 20 5 EFBDMN COc1ccc2c(c1)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000095972794 473236039 /nfs/dbraw/zinc/23/60/39/473236039.db2.gz PQNGQYNHTVNWTK-GOSISDBHSA-N 0 1 328.368 2.695 20 5 EFBDMN COc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000124352659 473236386 /nfs/dbraw/zinc/23/63/86/473236386.db2.gz OGOAUTAMJJZGDK-UHFFFAOYSA-N 0 1 326.305 2.543 20 5 EFBDMN CC(C)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000095978096 473238842 /nfs/dbraw/zinc/23/88/42/473238842.db2.gz YBXMZCLHRREIIY-LBPRGKRZSA-N 0 1 342.359 2.711 20 5 EFBDMN O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000095987427 473244696 /nfs/dbraw/zinc/24/46/96/473244696.db2.gz OQRICOBKHAGWIT-JTQLQIEISA-N 0 1 336.735 2.615 20 5 EFBDMN CCOC(=O)c1cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000190431130 473271463 /nfs/dbraw/zinc/27/14/63/473271463.db2.gz CEGIBYFXWADTLT-UHFFFAOYSA-N 0 1 346.343 2.870 20 5 EFBDMN CC(C)CN1Cc2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C1 ZINC000162138110 473307604 /nfs/dbraw/zinc/30/76/04/473307604.db2.gz FXFHBSANOHNHGF-UHFFFAOYSA-N 0 1 329.360 2.542 20 5 EFBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177157906 473319619 /nfs/dbraw/zinc/31/96/19/473319619.db2.gz LKVKSELOUUDFHN-JHJVBQTASA-N 0 1 349.456 2.817 20 5 EFBDMN COc1cc(CN2CCS[C@H](C)CC2)c([N+](=O)[O-])cc1OC ZINC000190690423 473362735 /nfs/dbraw/zinc/36/27/35/473362735.db2.gz XBQWQNGGHVHVHG-LLVKDONJSA-N 0 1 326.418 2.939 20 5 EFBDMN Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000162641999 473366652 /nfs/dbraw/zinc/36/66/52/473366652.db2.gz FPRQJOUSFVMKKX-WFASDCNBSA-N 0 1 344.371 2.746 20 5 EFBDMN CN(C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000609849388 469966140 /nfs/dbraw/zinc/96/61/40/469966140.db2.gz PPTRUAQWOZJJJD-AWEZNQCLSA-N 0 1 327.344 2.846 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000162840860 473389176 /nfs/dbraw/zinc/38/91/76/473389176.db2.gz ZRPOEEXDLVMZLB-ACJLOTCBSA-N 0 1 339.395 2.967 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccsc1 ZINC000619783829 479883934 /nfs/dbraw/zinc/88/39/34/479883934.db2.gz ZVUTXBVUMBJXIO-JTQLQIEISA-N 0 1 335.385 2.954 20 5 EFBDMN CC(=O)N[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000421383346 478065701 /nfs/dbraw/zinc/06/57/01/478065701.db2.gz CWPZJSZNCQBROJ-AWEZNQCLSA-N 0 1 329.356 2.565 20 5 EFBDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000616490594 479923386 /nfs/dbraw/zinc/92/33/86/479923386.db2.gz AHPFIGJVJAXPRX-UHFFFAOYSA-N 0 1 342.277 2.884 20 5 EFBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(F)c(F)c1F ZINC000007405014 471611748 /nfs/dbraw/zinc/61/17/48/471611748.db2.gz VMLLIEPIXYJTMO-UHFFFAOYSA-N 0 1 332.259 2.813 20 5 EFBDMN COc1cccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N(C)C)c1 ZINC000010018062 471726529 /nfs/dbraw/zinc/72/65/29/471726529.db2.gz MTBJLADUAPCGKR-KRWDZBQOSA-N 0 1 343.383 2.636 20 5 EFBDMN Cc1nc2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2[nH]1 ZINC000010895797 471743404 /nfs/dbraw/zinc/74/34/04/471743404.db2.gz OVWYLDRXPBEGID-UHFFFAOYSA-N 0 1 326.312 2.797 20 5 EFBDMN CN(C)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000067004259 471981190 /nfs/dbraw/zinc/98/11/90/471981190.db2.gz DLFWTWCOCZPXFJ-AWEZNQCLSA-N 0 1 348.428 2.758 20 5 EFBDMN CCN(CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000067276606 472014061 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CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CC(C)C)CC2)c1 ZINC000054461171 472089972 /nfs/dbraw/zinc/08/99/72/472089972.db2.gz RQQTVEANFNZWGU-UHFFFAOYSA-N 0 1 337.445 2.731 20 5 EFBDMN CNc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000025329450 472090689 /nfs/dbraw/zinc/09/06/89/472090689.db2.gz DKLFBBPSZYGXSS-HNNXBMFYSA-N 0 1 348.428 2.731 20 5 EFBDMN CCc1nc(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cs1 ZINC000067833064 472095694 /nfs/dbraw/zinc/09/56/94/472095694.db2.gz HFMUSLIQOLRRTM-UHFFFAOYSA-N 0 1 345.384 2.762 20 5 EFBDMN COc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000025638526 472106052 /nfs/dbraw/zinc/10/60/52/472106052.db2.gz KWXHOFNQORECTQ-ZDUSSCGKSA-N 0 1 349.412 2.698 20 5 EFBDMN COCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000026449898 472137114 /nfs/dbraw/zinc/13/71/14/472137114.db2.gz ZSNJIEKPFDMBTI-UHFFFAOYSA-N 0 1 343.811 2.791 20 5 EFBDMN CNc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000068414866 472185453 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CC1(C)[C@H](O)C[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000128213232 472420038 /nfs/dbraw/zinc/42/00/38/472420038.db2.gz IRJRLBZOIGWGLL-VXGBXAGGSA-N 0 1 329.194 2.606 20 5 EFBDMN CC(C)(C)c1nc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2[nH]1 ZINC000032466150 472438820 /nfs/dbraw/zinc/43/88/20/472438820.db2.gz GLCPLWHJKACRTO-UHFFFAOYSA-N 0 1 342.359 2.604 20 5 EFBDMN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000032585354 472443603 /nfs/dbraw/zinc/44/36/03/472443603.db2.gz MSIANELUBSDBTG-UHFFFAOYSA-N 0 1 334.353 2.907 20 5 EFBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000032763409 472464811 /nfs/dbraw/zinc/46/48/11/472464811.db2.gz PMQAFBZUBHPPCF-LLVKDONJSA-N 0 1 335.385 2.816 20 5 EFBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCCN(Cc2ccccc2)CC1 ZINC000045799861 472465350 /nfs/dbraw/zinc/46/53/50/472465350.db2.gz CCDJSYYGVDILLD-UHFFFAOYSA-N 0 1 339.395 2.943 20 5 EFBDMN CN(C(=O)CNC1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000077377855 472516044 /nfs/dbraw/zinc/51/60/44/472516044.db2.gz VPVBWBGAJGLTOB-UHFFFAOYSA-N 0 1 325.368 2.837 20 5 EFBDMN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccn(-c2ccncc2)n1 ZINC000071038337 472536160 /nfs/dbraw/zinc/53/61/60/472536160.db2.gz MDXSNIFNTDSZTQ-AATRIKPKSA-N 0 1 335.323 2.827 20 5 EFBDMN CC1CCN(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000129506802 472547927 /nfs/dbraw/zinc/54/79/27/472547927.db2.gz PACXCVOAYGXZMF-UHFFFAOYSA-N 0 1 331.416 2.818 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1Cc2ccccc2C1 ZINC000155487749 472556660 /nfs/dbraw/zinc/55/66/60/472556660.db2.gz HQWMWAYYTWMSEV-UHFFFAOYSA-N 0 1 341.367 2.948 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4OCCC[C@@H]4C3)n2)cc1 ZINC000155588713 472574786 /nfs/dbraw/zinc/57/47/86/472574786.db2.gz USMBOVIGROFNBD-UKRRQHHQSA-N 0 1 344.371 2.646 20 5 EFBDMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000155591322 472576433 /nfs/dbraw/zinc/57/64/33/472576433.db2.gz LSZSAKIORQZRNN-QMMMGPOBSA-N 0 1 342.277 2.698 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4OCCC[C@@H]4C3)n2)cc1 ZINC000155588836 472576450 /nfs/dbraw/zinc/57/64/50/472576450.db2.gz USMBOVIGROFNBD-HIFRSBDPSA-N 0 1 344.371 2.646 20 5 EFBDMN CC(C)C[C@H]1CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000130303606 472596339 /nfs/dbraw/zinc/59/63/39/472596339.db2.gz SKLGQCYUCYMVAL-GFCCVEGCSA-N 0 1 349.387 2.773 20 5 EFBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1F ZINC000046835966 472608135 /nfs/dbraw/zinc/60/81/35/472608135.db2.gz RAHMGYGGOKXNSK-INIZCTEOSA-N 0 1 348.374 2.743 20 5 EFBDMN Cc1cccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000130589229 472615218 /nfs/dbraw/zinc/61/52/18/472615218.db2.gz BKDRBSHTCYDREM-OAHLLOKOSA-N 0 1 337.339 2.541 20 5 EFBDMN CCOC(=O)CC1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000120090492 472629401 /nfs/dbraw/zinc/62/94/01/472629401.db2.gz QTYZCPXGMFTFMQ-UHFFFAOYSA-N 0 1 336.388 2.769 20 5 EFBDMN Cc1nc(C)c([C@@H](C)N(C)CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000090529821 472630320 /nfs/dbraw/zinc/63/03/20/472630320.db2.gz FOPBYYCXQWUQRB-LLVKDONJSA-N 0 1 336.417 2.523 20 5 EFBDMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000156036969 472658088 /nfs/dbraw/zinc/65/80/88/472658088.db2.gz SBIOYGJSWGXHGL-STQMWFEESA-N 0 1 342.399 2.698 20 5 EFBDMN COc1ccc(CN[C@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000131668923 472684452 /nfs/dbraw/zinc/68/44/52/472684452.db2.gz RSHYONORTJPMNI-HNNXBMFYSA-N 0 1 347.415 2.627 20 5 EFBDMN C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1ncccc1[N+](=O)[O-] ZINC000078307391 472693320 /nfs/dbraw/zinc/69/33/20/472693320.db2.gz YLTQNBJEFJYLIH-HNNXBMFYSA-N 0 1 341.415 2.612 20 5 EFBDMN CC[C@@H](CSC)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000091099190 472704229 /nfs/dbraw/zinc/70/42/29/472704229.db2.gz WZYDVDXIPGJDME-NSHDSACASA-N 0 1 341.433 2.615 20 5 EFBDMN CC[C@@]1(NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000616865555 480004939 /nfs/dbraw/zinc/00/49/39/480004939.db2.gz VJGKLBPTRNSZAM-OAHLLOKOSA-N 0 1 346.330 2.864 20 5 EFBDMN Cc1c(NC(=O)[C@@H](C)N2CCC3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000072898667 472737938 /nfs/dbraw/zinc/73/79/38/472737938.db2.gz MQKJNGLXTFJCON-CQSZACIVSA-N 0 1 347.415 2.733 20 5 EFBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000121049880 472789612 /nfs/dbraw/zinc/78/96/12/472789612.db2.gz SCNJDSWLQJUMJY-CYBMUJFWSA-N 0 1 341.371 2.610 20 5 EFBDMN Cn1cnnc1C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000091794864 472809423 /nfs/dbraw/zinc/80/94/23/472809423.db2.gz KUCYKZBQZZPNEW-GQCTYLIASA-N 0 1 327.388 2.616 20 5 EFBDMN C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@H+]1C1CC1 ZINC000133520621 472813126 /nfs/dbraw/zinc/81/31/26/472813126.db2.gz FMYFHCFLFHOEIJ-ZYHUDNBSSA-N 0 1 330.388 2.517 20 5 EFBDMN CC(C)(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000091841345 472814961 /nfs/dbraw/zinc/81/49/61/472814961.db2.gz LKLDQHTZQYXPCI-UHFFFAOYSA-N 0 1 339.355 2.574 20 5 EFBDMN O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000133596973 472821145 /nfs/dbraw/zinc/82/11/45/472821145.db2.gz FHGZYOLOJUOYHH-ZIAGYGMSSA-N 0 1 328.372 2.849 20 5 EFBDMN O=[N+]([O-])c1cnn(CCN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000157445486 472822018 /nfs/dbraw/zinc/82/20/18/472822018.db2.gz NYCJPICZCGYLIO-CQSZACIVSA-N 0 1 336.417 2.534 20 5 EFBDMN O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000133596573 472822075 /nfs/dbraw/zinc/82/20/75/472822075.db2.gz FHGZYOLOJUOYHH-KGLIPLIRSA-N 0 1 328.372 2.849 20 5 EFBDMN Cc1[nH]nc(C(=O)N(Cc2ccco2)Cc2ccco2)c1[N+](=O)[O-] ZINC000064336202 472844677 /nfs/dbraw/zinc/84/46/77/472844677.db2.gz APQASMCGUYGIIE-UHFFFAOYSA-N 0 1 330.300 2.655 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN2CCCN(c3nccs3)CC2)c1 ZINC000064401581 472850936 /nfs/dbraw/zinc/85/09/36/472850936.db2.gz WXJQGKCCFUEAKH-UHFFFAOYSA-N 0 1 348.428 2.642 20 5 EFBDMN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092073547 472853391 /nfs/dbraw/zinc/85/33/91/472853391.db2.gz VMPVTVUBNUEFON-ZDUSSCGKSA-N 0 1 336.388 2.856 20 5 EFBDMN COc1ccc(CNCc2cccc(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000106467022 472855394 /nfs/dbraw/zinc/85/53/94/472855394.db2.gz WRFXXROFBXMQAS-UHFFFAOYSA-N 0 1 329.356 2.852 20 5 EFBDMN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CO1 ZINC000106657726 472877858 /nfs/dbraw/zinc/87/78/58/472877858.db2.gz DELLLBGXXAMHPB-QWHCGFSZSA-N 0 1 331.372 2.902 20 5 EFBDMN Cc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2o1 ZINC000073957077 472910045 /nfs/dbraw/zinc/91/00/45/472910045.db2.gz LPEYKMDACYGVGV-UHFFFAOYSA-N 0 1 333.325 2.845 20 5 EFBDMN CS[C@H]1CCCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000134573731 472931115 /nfs/dbraw/zinc/93/11/15/472931115.db2.gz TYUOUSMRMNRIPT-HNNXBMFYSA-N 0 1 337.445 2.775 20 5 EFBDMN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CN1Cc1ccccc1 ZINC000134864375 472977337 /nfs/dbraw/zinc/97/73/37/472977337.db2.gz ACALHTFHQDEVBL-JSGCOSHPSA-N 0 1 329.356 2.581 20 5 EFBDMN CC(C)(C)NC(=O)CN1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000080248133 473002847 /nfs/dbraw/zinc/00/28/47/473002847.db2.gz TWZZLYBUFOTDJI-UHFFFAOYSA-N 0 1 348.447 2.633 20 5 EFBDMN CCCCNC(=O)[C@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000051058457 473022354 /nfs/dbraw/zinc/02/23/54/473022354.db2.gz XAKPOKYIYQQCGS-HNNXBMFYSA-N 0 1 349.431 2.732 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000080406678 473025906 /nfs/dbraw/zinc/02/59/06/473025906.db2.gz VIIJHKSYJXJDEX-INIZCTEOSA-N 0 1 349.337 2.906 20 5 EFBDMN Cc1cc(NC(=O)CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)no1 ZINC000135221831 473038435 /nfs/dbraw/zinc/03/84/35/473038435.db2.gz WGFSIAPTOKXTNU-UHFFFAOYSA-N 0 1 344.371 2.884 20 5 EFBDMN CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000080482542 473038531 /nfs/dbraw/zinc/03/85/31/473038531.db2.gz IBNCQLKCQZYKOH-LLVKDONJSA-N 0 1 345.321 2.780 20 5 EFBDMN CN(CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCSC1 ZINC000159741253 473056565 /nfs/dbraw/zinc/05/65/65/473056565.db2.gz FUSGBDHHCBAJFM-INIZCTEOSA-N 0 1 349.456 2.523 20 5 EFBDMN Cc1cc(N2CC[C@@H](CN3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000080650603 473063519 /nfs/dbraw/zinc/06/35/19/473063519.db2.gz UOPWFWWGSOMAEQ-ZDUSSCGKSA-N 0 1 339.823 2.715 20 5 EFBDMN CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093280909 473072905 /nfs/dbraw/zinc/07/29/05/473072905.db2.gz UFGBUXYZUHDUGD-CYBMUJFWSA-N 0 1 349.431 2.675 20 5 EFBDMN CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093280909 473072914 /nfs/dbraw/zinc/07/29/14/473072914.db2.gz UFGBUXYZUHDUGD-CYBMUJFWSA-N 0 1 349.431 2.675 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2n[nH]cc21 ZINC000122990233 473083046 /nfs/dbraw/zinc/08/30/46/473083046.db2.gz NWAQOILNZKDBGB-UHFFFAOYSA-N 0 1 346.368 2.834 20 5 EFBDMN O=C(C=Cc1cccc([N+](=O)[O-])c1)NCc1nc2ccc(F)cc2[nH]1 ZINC000080870679 473093516 /nfs/dbraw/zinc/09/35/16/473093516.db2.gz OPZNFCQXBLZVQT-QPJJXVBHSA-N 0 1 340.314 2.940 20 5 EFBDMN COc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000080874743 473094677 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COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1ccccc1 ZINC000093931017 473164152 /nfs/dbraw/zinc/16/41/52/473164152.db2.gz ZZTJYCFWWVRJPD-UHFFFAOYSA-N 0 1 336.369 2.683 20 5 EFBDMN Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000093930516 473164404 /nfs/dbraw/zinc/16/44/04/473164404.db2.gz HHSJEWHHYSQPRX-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN COc1cc(C)ccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000136980853 473188838 /nfs/dbraw/zinc/18/88/38/473188838.db2.gz GBDUFTMHYHQWQS-UHFFFAOYSA-N 0 1 340.339 2.718 20 5 EFBDMN CN(Cc1cc(Cl)cn1C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000137011426 473191021 /nfs/dbraw/zinc/19/10/21/473191021.db2.gz RZMNNLMNOKNDCF-UHFFFAOYSA-N 0 1 347.762 2.735 20 5 EFBDMN O=C1CC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000125402416 473405766 /nfs/dbraw/zinc/40/57/66/473405766.db2.gz UHLBQCZZQSEUHA-RHSMWYFYSA-N 0 1 329.400 2.570 20 5 EFBDMN COc1cc(CN2CCSC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000190843902 473408146 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O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC([C@H]2CCCO2)CC1 ZINC000191110765 473481816 /nfs/dbraw/zinc/48/18/16/473481816.db2.gz OSMJWSCRTGOULJ-OAHLLOKOSA-N 0 1 344.371 2.502 20 5 EFBDMN Cn1cc([C@H]2CSCCN2CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000191198342 473505282 /nfs/dbraw/zinc/50/52/82/473505282.db2.gz KNQFXRAEORONIN-MRXNPFEDSA-N 0 1 332.429 2.661 20 5 EFBDMN CCc1[nH]nc(C(=O)N(CC2CCC2)CC(F)(F)F)c1[N+](=O)[O-] ZINC000185804520 473518705 /nfs/dbraw/zinc/51/87/05/473518705.db2.gz VBJKVBVEYLLOHU-UHFFFAOYSA-N 0 1 334.298 2.685 20 5 EFBDMN O=[N+]([O-])c1ccn(CCSc2nnc(CCC3CCCC3)[nH]2)n1 ZINC000178490595 473521263 /nfs/dbraw/zinc/52/12/63/473521263.db2.gz SFMLBETYMMWWRZ-UHFFFAOYSA-N 0 1 336.421 2.825 20 5 EFBDMN O=[N+]([O-])c1ccn(CCSc2nc(CCC3CCCC3)n[nH]2)n1 ZINC000178490595 473521267 /nfs/dbraw/zinc/52/12/67/473521267.db2.gz SFMLBETYMMWWRZ-UHFFFAOYSA-N 0 1 336.421 2.825 20 5 EFBDMN Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178516598 473524644 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CC(C)c1cccc2c1CCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000191894372 473587634 /nfs/dbraw/zinc/58/76/34/473587634.db2.gz IJPOTQCVJQEPGR-UHFFFAOYSA-N 0 1 341.411 2.938 20 5 EFBDMN COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153170719 473611810 /nfs/dbraw/zinc/61/18/10/473611810.db2.gz VTMOUJQOCLXOLX-RWMBFGLXSA-N 0 1 333.388 2.662 20 5 EFBDMN C[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000192194132 473646099 /nfs/dbraw/zinc/64/60/99/473646099.db2.gz WBWFYOXFQYITQO-SWLSCSKDSA-N 0 1 335.429 2.528 20 5 EFBDMN O=C(CN[C@H]1CCCc2c(O)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000192351079 473672889 /nfs/dbraw/zinc/67/28/89/473672889.db2.gz UFEARVMMNZMQSU-AWEZNQCLSA-N 0 1 341.367 2.906 20 5 EFBDMN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(Cc2ccncc2)CC1 ZINC000192510518 473686924 /nfs/dbraw/zinc/68/69/24/473686924.db2.gz ROBNXRRRAHTPJV-UHFFFAOYSA-N 0 1 344.419 2.591 20 5 EFBDMN CCO[C@@H]1C[C@](CO)(NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000186576874 473692733 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C[C@@H]1C[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)C[C@H](C)O1 ZINC000246816031 473972454 /nfs/dbraw/zinc/97/24/54/473972454.db2.gz RFKPVRPPNVYCPZ-PEGIJTEDSA-N 0 1 345.359 2.522 20 5 EFBDMN CCC[C@]1(COC)CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194941736 473981030 /nfs/dbraw/zinc/98/10/30/473981030.db2.gz AKSXOLQMXVMVNW-QGZVFWFLSA-N 0 1 335.404 2.814 20 5 EFBDMN COCCOC[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174101793 473986014 /nfs/dbraw/zinc/98/60/14/473986014.db2.gz OPXBGOOXJQNFNW-GFCCVEGCSA-N 0 1 328.796 2.733 20 5 EFBDMN O=[N+]([O-])c1c(Nc2cnn(Cc3ccccn3)c2)nc2sccn21 ZINC000194977611 473987250 /nfs/dbraw/zinc/98/72/50/473987250.db2.gz JKCRPSUBTZZUCX-UHFFFAOYSA-N 0 1 341.356 2.687 20 5 EFBDMN C[C@@H](C(=O)NC(C)(C)C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244047 474011570 /nfs/dbraw/zinc/01/15/70/474011570.db2.gz WPWRTECEMNOMKC-ZDUSSCGKSA-N 0 1 349.431 2.741 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000188236919 474029129 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EFBDMN O=C(CCCCc1cn[nH]n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000182146006 474110004 /nfs/dbraw/zinc/11/00/04/474110004.db2.gz MMMMFVABZBYIRS-UHFFFAOYSA-N 0 1 343.387 2.617 20 5 EFBDMN O=C1CCCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000175010663 474132033 /nfs/dbraw/zinc/13/20/33/474132033.db2.gz JGJKYBGHMLPWRU-UHFFFAOYSA-N 0 1 346.364 2.915 20 5 EFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000270502833 474145395 /nfs/dbraw/zinc/14/53/95/474145395.db2.gz IEIKWWLIXHEAMM-CXAGYDPISA-N 0 1 344.415 2.835 20 5 EFBDMN CCc1ccc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000270586340 474178220 /nfs/dbraw/zinc/17/82/20/474178220.db2.gz AVWTZGFSIUIQLW-SNVBAGLBSA-N 0 1 331.376 2.890 20 5 EFBDMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc([N+](=O)[O-])o3)C1)CCCC2 ZINC000275448843 474190000 /nfs/dbraw/zinc/19/00/00/474190000.db2.gz WAEVJSZMVHBAQE-LBPRGKRZSA-N 0 1 344.371 2.659 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000247672104 474197468 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CN(CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 ZINC000275676615 474276681 /nfs/dbraw/zinc/27/66/81/474276681.db2.gz ZMSWGIPZIMXLCO-UHFFFAOYSA-N 0 1 335.407 2.918 20 5 EFBDMN Cc1[nH]ncc1CCCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175700815 474285888 /nfs/dbraw/zinc/28/58/88/474285888.db2.gz CACYZUFRNZNDNA-GFCCVEGCSA-N 0 1 345.403 2.928 20 5 EFBDMN CC[C@@H](C)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)[O-] ZINC000236867507 474293775 /nfs/dbraw/zinc/29/37/75/474293775.db2.gz FSJKWFMKXIJJFY-GFCCVEGCSA-N 0 1 347.371 2.977 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCCN1CCN(C)CC1 ZINC000182955587 474296230 /nfs/dbraw/zinc/29/62/30/474296230.db2.gz ZVWYPLCPUPYBCK-MRXNPFEDSA-N 0 1 334.464 2.534 20 5 EFBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000189360282 474371775 /nfs/dbraw/zinc/37/17/75/474371775.db2.gz RPPAJKGKZULQAZ-MRVPVSSYSA-N 0 1 342.277 2.870 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N(C)CCCOC(C)C)cccc1[N+](=O)[O-] ZINC000265898620 474376988 /nfs/dbraw/zinc/37/69/88/474376988.db2.gz UDDSWUUIHMFWJH-AWEZNQCLSA-N 0 1 337.420 2.977 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000283390091 474389514 /nfs/dbraw/zinc/38/95/14/474389514.db2.gz GJOMEPXRLVZORZ-KBPBESRZSA-N 0 1 349.431 2.844 20 5 EFBDMN Cc1ccc([C@H](O)CNCc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000265929346 474389513 /nfs/dbraw/zinc/38/95/13/474389513.db2.gz DDNWRHOCNQCBCR-GFCCVEGCSA-N 0 1 342.298 2.921 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000283390095 474389607 /nfs/dbraw/zinc/38/96/07/474389607.db2.gz GJOMEPXRLVZORZ-KGLIPLIRSA-N 0 1 349.431 2.844 20 5 EFBDMN COC[C@@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000276066882 474406292 /nfs/dbraw/zinc/40/62/92/474406292.db2.gz RZGHYHQPCLXVCT-JSGCOSHPSA-N 0 1 331.372 2.692 20 5 EFBDMN O=[N+]([O-])c1ccn(CCN(Cc2cccs2)C[C@@H]2CCCO2)n1 ZINC000176197043 474406738 /nfs/dbraw/zinc/40/67/38/474406738.db2.gz BACGPOKQYWSNME-ZDUSSCGKSA-N 0 1 336.417 2.534 20 5 EFBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1csc(Br)c1 ZINC000176217422 474412398 /nfs/dbraw/zinc/41/23/98/474412398.db2.gz VJTWCOIIAGMKPI-UHFFFAOYSA-N 0 1 345.222 2.747 20 5 EFBDMN Cn1ccc2c1cccc2NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608877036 480102414 /nfs/dbraw/zinc/10/24/14/480102414.db2.gz LLNATEVFNDNCBI-UHFFFAOYSA-N 0 1 331.353 2.887 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)N2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000176734576 474523027 /nfs/dbraw/zinc/52/30/27/474523027.db2.gz HSTDAPHOCRJPMS-AWEZNQCLSA-N 0 1 346.431 2.701 20 5 EFBDMN C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266926875 474533050 /nfs/dbraw/zinc/53/30/50/474533050.db2.gz ZOSKAMRKHLYAHK-CYBMUJFWSA-N 0 1 348.424 2.990 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)n[nH]1 ZINC000276450649 474549193 /nfs/dbraw/zinc/54/91/93/474549193.db2.gz UGPQJXSBMUUSGM-JTQLQIEISA-N 0 1 332.364 2.775 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)n[nH]1 ZINC000276450650 474549449 /nfs/dbraw/zinc/54/94/49/474549449.db2.gz UGPQJXSBMUUSGM-SNVBAGLBSA-N 0 1 332.364 2.775 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](CN2CCOCC2)C1 ZINC000276478694 474558981 /nfs/dbraw/zinc/55/89/81/474558981.db2.gz NUZSPRAFCJQSEI-CYBMUJFWSA-N 0 1 339.823 2.715 20 5 EFBDMN C[C@H](C(=O)N1CCN(C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184798072 474610280 /nfs/dbraw/zinc/61/02/80/474610280.db2.gz FYRZRZMPMRKHLW-ZDUSSCGKSA-N 0 1 349.406 2.924 20 5 EFBDMN CCN1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000250372990 474632167 /nfs/dbraw/zinc/63/21/67/474632167.db2.gz VYAYOUQTKIPRKZ-SNVBAGLBSA-N 0 1 328.210 2.888 20 5 EFBDMN COc1cc2c(cc1OC)CN(Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000338910252 474724413 /nfs/dbraw/zinc/72/44/13/474724413.db2.gz PBVYSLLATCIHSM-UHFFFAOYSA-N 0 1 344.367 2.876 20 5 EFBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000338916474 474728653 /nfs/dbraw/zinc/72/86/53/474728653.db2.gz XZFSMPHSQGNULS-UHFFFAOYSA-N 0 1 333.413 2.680 20 5 EFBDMN CN(C)c1nc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2[nH]1 ZINC000338921797 474735073 /nfs/dbraw/zinc/73/50/73/474735073.db2.gz UYUQNWJDMOAKNW-UHFFFAOYSA-N 0 1 343.318 2.929 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000344421108 474740907 /nfs/dbraw/zinc/74/09/07/474740907.db2.gz GXXKOVPFRYGCNC-AVGNSLFASA-N 0 1 337.395 2.779 20 5 EFBDMN CCc1[nH]nc(C(=O)N(CCc2ccc(F)cc2)C2CC2)c1[N+](=O)[O-] ZINC000278624642 474742034 /nfs/dbraw/zinc/74/20/34/474742034.db2.gz PFCFIWXWNAVGIH-UHFFFAOYSA-N 0 1 346.362 2.867 20 5 EFBDMN O=C(Nc1ccc2nc[nH]c2c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000344455233 474748608 /nfs/dbraw/zinc/74/86/08/474748608.db2.gz XOTFBFHNKRPVTA-UHFFFAOYSA-N 0 1 348.322 2.909 20 5 EFBDMN C[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1CO ZINC000305742902 474764309 /nfs/dbraw/zinc/76/43/09/474764309.db2.gz SUWGTAXRWOJKJU-LRDDRELGSA-N 0 1 331.372 2.843 20 5 EFBDMN CC[C@@]1(C)COCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000340905541 474765726 /nfs/dbraw/zinc/76/57/26/474765726.db2.gz NXWHDKAZRZJCAR-KRWDZBQOSA-N 0 1 335.404 2.733 20 5 EFBDMN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000291969976 474779267 /nfs/dbraw/zinc/77/92/67/474779267.db2.gz XONJJUKCRWHVJI-ZDUSSCGKSA-N 0 1 332.404 2.933 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2[C@H]2CCCO2)c2c(c1)COCO2 ZINC000284837185 474793613 /nfs/dbraw/zinc/79/36/13/474793613.db2.gz QSQOUJIFSOHLGU-HZPDHXFCSA-N 0 1 334.372 2.605 20 5 EFBDMN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCCCCO ZINC000278758562 474817196 /nfs/dbraw/zinc/81/71/96/474817196.db2.gz BJCGOXOTYHORHQ-LLVKDONJSA-N 0 1 343.811 2.670 20 5 EFBDMN COc1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000284992701 474855378 /nfs/dbraw/zinc/85/53/78/474855378.db2.gz JBBNVMNTJZCUIS-HIFRSBDPSA-N 0 1 336.388 2.755 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCNC[C@H]2c2ccccc2)c1 ZINC000313369782 474855723 /nfs/dbraw/zinc/85/57/23/474855723.db2.gz GMFIEWQSNAYMBL-KRWDZBQOSA-N 0 1 325.368 2.690 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC(Oc2ccccn2)CC1 ZINC000339037878 474864505 /nfs/dbraw/zinc/86/45/05/474864505.db2.gz WLWGDQRIMACZCM-UHFFFAOYSA-N 0 1 329.356 2.739 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](O)CC1 ZINC000293207073 474868779 /nfs/dbraw/zinc/86/87/79/474868779.db2.gz RBYCAWRUTIAYOO-SMDDNHRTSA-N 0 1 332.360 2.553 20 5 EFBDMN COC(=O)[C@@H](C)[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339045399 474873230 /nfs/dbraw/zinc/87/32/30/474873230.db2.gz ONURQGGEPYZKKN-SJCJKPOMSA-N 0 1 344.367 2.940 20 5 EFBDMN COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339045401 474873734 /nfs/dbraw/zinc/87/37/34/474873734.db2.gz ONURQGGEPYZKKN-SJKOYZFVSA-N 0 1 344.367 2.940 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000339053505 474883169 /nfs/dbraw/zinc/88/31/69/474883169.db2.gz AVIRARHSEWOESA-CHWSQXEVSA-N 0 1 334.294 2.578 20 5 EFBDMN COc1ccc2c(c1)CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000339054513 474884397 /nfs/dbraw/zinc/88/43/97/474884397.db2.gz QEOBEPVPHUEDHL-UHFFFAOYSA-N 0 1 328.368 2.910 20 5 EFBDMN C[C@@H]1C[C@H](C)CN(CCn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000318448313 474890763 /nfs/dbraw/zinc/89/07/63/474890763.db2.gz AKDMAEJJRYMEJT-AOOOYVTPSA-N 0 1 331.214 2.532 20 5 EFBDMN C[C@@H]1CC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000319184491 474897645 /nfs/dbraw/zinc/89/76/45/474897645.db2.gz KHSRLQHGLGIGFX-SCVCMEIPSA-N 0 1 330.381 2.837 20 5 EFBDMN CC1(C)CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000319262946 474899523 /nfs/dbraw/zinc/89/95/23/474899523.db2.gz DBAJQKMPPBSKMD-JTQLQIEISA-N 0 1 330.381 2.981 20 5 EFBDMN O=C(CCN1CCc2ccc(O)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337329558 474903177 /nfs/dbraw/zinc/90/31/77/474903177.db2.gz ZTIGKMUGEVGYHQ-UHFFFAOYSA-N 0 1 341.367 2.687 20 5 EFBDMN Cc1ccc([C@H](C)N[C@@H](Cc2ccccc2)C(N)=O)cc1[N+](=O)[O-] ZINC000273448330 474903950 /nfs/dbraw/zinc/90/39/50/474903950.db2.gz XOFCCVYVLHTWDP-BBRMVZONSA-N 0 1 327.384 2.650 20 5 EFBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000339083738 474912381 /nfs/dbraw/zinc/91/23/81/474912381.db2.gz LCCVCOXIKMQVBP-DUFXMDAXSA-N 0 1 330.306 2.816 20 5 EFBDMN C[C@@H](c1nccs1)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339095713 474923647 /nfs/dbraw/zinc/92/36/47/474923647.db2.gz RBNFGAQVJXVAEJ-LBPRGKRZSA-N 0 1 348.428 2.636 20 5 EFBDMN CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339097609 474924465 /nfs/dbraw/zinc/92/44/65/474924465.db2.gz YSECTHWEJNMCMU-ZDUSSCGKSA-N 0 1 336.388 2.854 20 5 EFBDMN CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339097609 474924475 /nfs/dbraw/zinc/92/44/75/474924475.db2.gz YSECTHWEJNMCMU-ZDUSSCGKSA-N 0 1 336.388 2.854 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC=C(c2ccco2)C1 ZINC000285250030 474944894 /nfs/dbraw/zinc/94/48/94/474944894.db2.gz HDHUIDQDBZSAON-HNNXBMFYSA-N 0 1 344.367 2.717 20 5 EFBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCN(C)C1 ZINC000293371285 474950004 /nfs/dbraw/zinc/95/00/04/474950004.db2.gz PCNKOVBPRTTZBH-LLVKDONJSA-N 0 1 345.321 2.780 20 5 EFBDMN CC(=O)c1cccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000323770951 474955162 /nfs/dbraw/zinc/95/51/62/474955162.db2.gz XVRCJKYHIZZEEB-UHFFFAOYSA-N 0 1 338.316 2.737 20 5 EFBDMN CCN1C[C@@H](C)N(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345173297 474960830 /nfs/dbraw/zinc/96/08/30/474960830.db2.gz MQBBVPQYZUWNIL-UONOGXRCSA-N 0 1 348.447 2.652 20 5 EFBDMN Cc1n[nH]c([C@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000268425001 474970093 /nfs/dbraw/zinc/97/00/93/474970093.db2.gz DPHBIGXIFKTOMX-NSHDSACASA-N 0 1 342.359 2.542 20 5 EFBDMN Cc1c(CN[C@H](C(N)=O)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000292345805 474974237 /nfs/dbraw/zinc/97/42/37/474974237.db2.gz XETOKZJSHLQQNM-DYVFJYSZSA-N 0 1 327.384 2.650 20 5 EFBDMN Cc1c(CN[C@H](C(N)=O)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000292345809 474974784 /nfs/dbraw/zinc/97/47/84/474974784.db2.gz XETOKZJSHLQQNM-GUYCJALGSA-N 0 1 327.384 2.650 20 5 EFBDMN CCOC1CC2(C1)CCN([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000285387355 475000156 /nfs/dbraw/zinc/00/01/56/475000156.db2.gz DBEKELKYIWKUEP-IMUUDWKMSA-N 0 1 347.415 2.813 20 5 EFBDMN C[C@@H](NCc1ccc2c(c1)NC(=O)CO2)c1cccc([N+](=O)[O-])c1 ZINC000326376724 475003457 /nfs/dbraw/zinc/00/34/57/475003457.db2.gz KYHAKBHJBUHLIH-LLVKDONJSA-N 0 1 327.340 2.777 20 5 EFBDMN CCc1ccc([C@H]2CNCCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000261711290 475034951 /nfs/dbraw/zinc/03/49/51/475034951.db2.gz KMLBNEOPYCJLIE-GOSISDBHSA-N 0 1 339.395 2.944 20 5 EFBDMN O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000281108718 475074253 /nfs/dbraw/zinc/07/42/53/475074253.db2.gz WPRRTVBCIWLQQW-GOSISDBHSA-N 0 1 343.383 2.660 20 5 EFBDMN CC(C)(C)c1nc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)n[nH]1 ZINC000292543736 475079750 /nfs/dbraw/zinc/07/97/50/475079750.db2.gz WRPRJTUXKCSDFE-UHFFFAOYSA-N 0 1 326.360 2.922 20 5 EFBDMN C[N@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)C1CC1 ZINC000341537953 475124887 /nfs/dbraw/zinc/12/48/87/475124887.db2.gz WFSXHMAHMDXCIG-UHFFFAOYSA-N 0 1 328.372 2.812 20 5 EFBDMN C[N@@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)C1CC1 ZINC000341537953 475124895 /nfs/dbraw/zinc/12/48/95/475124895.db2.gz WFSXHMAHMDXCIG-UHFFFAOYSA-N 0 1 328.372 2.812 20 5 EFBDMN CCNC(=O)[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000339321171 475137909 /nfs/dbraw/zinc/13/79/09/475137909.db2.gz ODUYOAKWWGOHPV-CYBMUJFWSA-N 0 1 347.337 2.864 20 5 EFBDMN O=C(CCN1C[C@@]2(CCCO2)[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000295962365 475145448 /nfs/dbraw/zinc/14/54/48/475145448.db2.gz JFXUKZRTGMUIKH-MSOLQXFVSA-N 0 1 345.399 2.567 20 5 EFBDMN Cn1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc2ccc(F)cc21 ZINC000345387716 475150698 /nfs/dbraw/zinc/15/06/98/475150698.db2.gz WHWXBEKPXCNSRJ-UHFFFAOYSA-N 0 1 330.275 2.579 20 5 EFBDMN CC[C@@H](C)N(CCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000287460766 475158862 /nfs/dbraw/zinc/15/88/62/475158862.db2.gz RGHPOZWUKQLLNS-SNVBAGLBSA-N 0 1 348.346 2.798 20 5 EFBDMN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000345413502 475172649 /nfs/dbraw/zinc/17/26/49/475172649.db2.gz HBZVYSMZYPVSKO-QMTHXVAHSA-N 0 1 344.371 2.858 20 5 EFBDMN C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000287505710 475176551 /nfs/dbraw/zinc/17/65/51/475176551.db2.gz UTLKIIFRWMHUSV-VXGBXAGGSA-N 0 1 346.387 2.627 20 5 EFBDMN CC(C)C[C@H](N)c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000339394994 475191981 /nfs/dbraw/zinc/19/19/81/475191981.db2.gz RVEBWHCBFSJZMC-AWEZNQCLSA-N 0 1 342.359 2.876 20 5 EFBDMN CC(C)C[C@H](N)c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000339396440 475194095 /nfs/dbraw/zinc/19/40/95/475194095.db2.gz UHNYHIUIDOOUGQ-ZDUSSCGKSA-N 0 1 342.359 2.876 20 5 EFBDMN Cc1ccc(S(=O)(=O)N[C@H](C2CC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000341667490 475213951 /nfs/dbraw/zinc/21/39/51/475213951.db2.gz SRMOGTLQXPBCGY-LLVKDONJSA-N 0 1 338.307 2.522 20 5 EFBDMN CC1(C)[C@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]2CCO[C@H]21 ZINC000296187935 475218770 /nfs/dbraw/zinc/21/87/70/475218770.db2.gz LOPSEVAFXCEBCT-NWANDNLSSA-N 0 1 344.371 2.548 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(SC)n[nH]1 ZINC000361160329 475233762 /nfs/dbraw/zinc/23/37/62/475233762.db2.gz WSGIHWZPRSPGAS-JTQLQIEISA-N 0 1 335.389 2.642 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(SC)n[nH]1 ZINC000361160330 475234114 /nfs/dbraw/zinc/23/41/14/475234114.db2.gz WSGIHWZPRSPGAS-SNVBAGLBSA-N 0 1 335.389 2.642 20 5 EFBDMN C[C@@]12CCCN1C[C@H](c1noc(-c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000347328748 475235838 /nfs/dbraw/zinc/23/58/38/475235838.db2.gz CEAZXIMBHLQMQR-CJNGLKHVSA-N 0 1 330.344 2.571 20 5 EFBDMN CSC[C@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000347352789 475257637 /nfs/dbraw/zinc/25/76/37/475257637.db2.gz UXEMHAFRDYYMRA-JTQLQIEISA-N 0 1 326.422 2.657 20 5 EFBDMN CCOc1cc(N2CCN(CC[C@H](C)F)CC2)ccc1[N+](=O)[O-] ZINC000352404649 475261945 /nfs/dbraw/zinc/26/19/45/475261945.db2.gz CWOPSHKILNLKOP-ZDUSSCGKSA-N 0 1 325.384 2.864 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](NC(=O)NC2CC2)C1 ZINC000347373910 475277524 /nfs/dbraw/zinc/27/75/24/475277524.db2.gz MOTIXMUZXLFLTK-WQMJKPAKSA-N 0 1 344.415 2.534 20 5 EFBDMN COc1ccc2c(c1)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 ZINC000345576674 475277891 /nfs/dbraw/zinc/27/78/91/475277891.db2.gz QYEIFNPJLHEQJB-OAHLLOKOSA-N 0 1 344.323 2.563 20 5 EFBDMN CC1(C)[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]2CCO[C@@H]21 ZINC000296407651 475301657 /nfs/dbraw/zinc/30/16/57/475301657.db2.gz VBCNGFZUICSOFA-YUELXQCFSA-N 0 1 344.371 2.548 20 5 EFBDMN Nc1ccc(-c2noc(-c3ccc(-c4nnc[nH]4)cc3)n2)cc1[N+](=O)[O-] ZINC000345640281 475327544 /nfs/dbraw/zinc/32/75/44/475327544.db2.gz PFUNCQFSIZFYOI-UHFFFAOYSA-N 0 1 349.310 2.679 20 5 EFBDMN Cc1noc(-c2ccccc2)c1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000352472618 475328163 /nfs/dbraw/zinc/32/81/63/475328163.db2.gz HSAFXXQTHJYDHR-UHFFFAOYSA-N 0 1 327.300 2.842 20 5 EFBDMN COC(=O)c1cc(F)cc(NC(=O)c2ccc([N+](=O)[O-])s2)c1F ZINC000358012277 475334664 /nfs/dbraw/zinc/33/46/64/475334664.db2.gz XLJVOZPUKLEADY-UHFFFAOYSA-N 0 1 342.279 2.973 20 5 EFBDMN CC1CCN(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000345658270 475343605 /nfs/dbraw/zinc/34/36/05/475343605.db2.gz OBCOHXUMMYJWBQ-KRWDZBQOSA-N 0 1 349.456 2.901 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339618720 475351620 /nfs/dbraw/zinc/35/16/20/475351620.db2.gz JAEQZAWFMISBKH-RWMBFGLXSA-N 0 1 345.403 2.730 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000358040658 475357979 /nfs/dbraw/zinc/35/79/79/475357979.db2.gz ZYAWJSZJWZMAGY-INIZCTEOSA-N 0 1 339.395 2.908 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000331660895 475368802 /nfs/dbraw/zinc/36/88/02/475368802.db2.gz SXPMKVYVMCIZEB-LBPRGKRZSA-N 0 1 329.360 2.814 20 5 EFBDMN CN(C)C(=O)[C@H](c1ccccc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000352543420 475397517 /nfs/dbraw/zinc/39/75/17/475397517.db2.gz FEUJEFCCLSDXQR-SFHVURJKSA-N 0 1 341.411 2.899 20 5 EFBDMN COC(=O)c1oc(CN(C)CCc2ccccc2[N+](=O)[O-])cc1C ZINC000352543507 475397798 /nfs/dbraw/zinc/39/77/98/475397798.db2.gz FZGGXHBKXBPKQC-UHFFFAOYSA-N 0 1 332.356 2.957 20 5 EFBDMN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)N1C ZINC000296648286 475410267 /nfs/dbraw/zinc/41/02/67/475410267.db2.gz FBXGLVHABFQXFN-AOOOYVTPSA-N 0 1 326.784 2.805 20 5 EFBDMN C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCOC1 ZINC000348145954 475425948 /nfs/dbraw/zinc/42/59/48/475425948.db2.gz MKSWCRNCZZCGAH-DGCLKSJQSA-N 0 1 332.360 2.550 20 5 EFBDMN CN1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000341980573 475472926 /nfs/dbraw/zinc/47/29/26/475472926.db2.gz AJJWGIWJNSXPRS-LJQANCHMSA-N 0 1 325.412 2.954 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)[C@H]1CCC[C@H]1O ZINC000352656510 475499075 /nfs/dbraw/zinc/49/90/75/475499075.db2.gz AXGLSRZATHUKFY-DDTOSNHZSA-N 0 1 332.360 2.551 20 5 EFBDMN COc1cc(CN(C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000352665538 475508376 /nfs/dbraw/zinc/50/83/76/475508376.db2.gz FKASFXZMRSCORJ-CMPLNLGQSA-N 0 1 346.330 2.550 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000296865095 475512489 /nfs/dbraw/zinc/51/24/89/475512489.db2.gz IJWRQEPGBGQVAA-NSHDSACASA-N 0 1 325.796 2.805 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000332101868 475513016 /nfs/dbraw/zinc/51/30/16/475513016.db2.gz DFSCMMOEOPZBHT-INIZCTEOSA-N 0 1 332.335 2.646 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@](F)(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000332101869 475513493 /nfs/dbraw/zinc/51/34/93/475513493.db2.gz DFSCMMOEOPZBHT-MRXNPFEDSA-N 0 1 332.335 2.646 20 5 EFBDMN O=C(C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000332136410 475526362 /nfs/dbraw/zinc/52/63/62/475526362.db2.gz PVKLAQMANLKFRF-UHFFFAOYSA-N 0 1 347.415 2.525 20 5 EFBDMN Cc1n[nH]c(C(F)F)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358321249 475588007 /nfs/dbraw/zinc/58/80/07/475588007.db2.gz AVPQXEOHQJQBSY-UHFFFAOYSA-N 0 1 328.250 2.884 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000358376052 475629911 /nfs/dbraw/zinc/62/99/11/475629911.db2.gz RKWORHSHJZGLHG-GXSJLCMTSA-N 0 1 336.310 2.957 20 5 EFBDMN C[C@H](NC(=O)N1C[C@H]2CCCCN2C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000332436324 475637915 /nfs/dbraw/zinc/63/79/15/475637915.db2.gz GVZNNYGFXJNPLU-GRDNDAEWSA-N 0 1 346.431 2.924 20 5 EFBDMN C[C@H](NC(=O)N1C[C@H]2CCCCN2C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000332436326 475638209 /nfs/dbraw/zinc/63/82/09/475638209.db2.gz GVZNNYGFXJNPLU-JKIFEVAISA-N 0 1 346.431 2.924 20 5 EFBDMN CC(C)c1ccc(CN2CC[C@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000332489679 475649496 /nfs/dbraw/zinc/64/94/96/475649496.db2.gz ACLHBTXOJCVKOZ-QZTJIDSGSA-N 0 1 333.432 2.623 20 5 EFBDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000332490487 475651479 /nfs/dbraw/zinc/65/14/79/475651479.db2.gz ONZGLPCBJWADQC-ZFWWWQNUSA-N 0 1 349.456 2.772 20 5 EFBDMN C[C@H](NC(=O)N1C[C@H]2CCCCN2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000332522385 475658090 /nfs/dbraw/zinc/65/80/90/475658090.db2.gz ZSWTUPUGADYXRC-JKIFEVAISA-N 0 1 346.431 2.924 20 5 EFBDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000332596736 475680529 /nfs/dbraw/zinc/68/05/29/475680529.db2.gz MCABOYQHCNQTKP-YOEHRIQHSA-N 0 1 345.443 2.958 20 5 EFBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CCO)c1ccco1 ZINC000346610417 475698218 /nfs/dbraw/zinc/69/82/18/475698218.db2.gz YCJQHBHRYNLYPS-WFASDCNBSA-N 0 1 347.371 2.618 20 5 EFBDMN COc1cc(CN[C@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000348522151 475721073 /nfs/dbraw/zinc/72/10/73/475721073.db2.gz VSSLIXVUNIYFQT-CMPLNLGQSA-N 0 1 334.294 2.992 20 5 EFBDMN CC(C)CN1CCO[C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000346661248 475741888 /nfs/dbraw/zinc/74/18/88/475741888.db2.gz UELULTCKUFIYKT-CQSZACIVSA-N 0 1 344.415 2.912 20 5 EFBDMN COC(=O)COc1ccc(CN2CCCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000355210205 475747918 /nfs/dbraw/zinc/74/79/18/475747918.db2.gz ARDBJXYUKXVPGC-UHFFFAOYSA-N 0 1 348.399 2.913 20 5 EFBDMN C[C@H](NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297472578 475771481 /nfs/dbraw/zinc/77/14/81/475771481.db2.gz UVXKMGNOFIOTAK-KGLIPLIRSA-N 0 1 346.431 2.782 20 5 EFBDMN CCOC(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000355259708 475784455 /nfs/dbraw/zinc/78/44/55/475784455.db2.gz NHHZNVPXTIUUJK-UHFFFAOYSA-N 0 1 330.296 2.729 20 5 EFBDMN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000361828580 475790425 /nfs/dbraw/zinc/79/04/25/475790425.db2.gz LRWMMXJWKSZZFX-UONOGXRCSA-N 0 1 346.387 2.795 20 5 EFBDMN COc1ccc(OCCN[C@H](C)c2ccncc2F)c([N+](=O)[O-])c1 ZINC000338349140 475813636 /nfs/dbraw/zinc/81/36/36/475813636.db2.gz YPAZMVOCRMLISP-LLVKDONJSA-N 0 1 335.335 2.867 20 5 EFBDMN Cc1nc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297667677 475849759 /nfs/dbraw/zinc/84/97/59/475849759.db2.gz ZQIHCOJZHOACJH-IUODEOHRSA-N 0 1 327.388 2.768 20 5 EFBDMN CC1=CCN(CCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355355870 475859343 /nfs/dbraw/zinc/85/93/43/475859343.db2.gz OKBXEKQBELKVSM-AWEZNQCLSA-N 0 1 349.456 2.844 20 5 EFBDMN O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343215800 475860784 /nfs/dbraw/zinc/86/07/84/475860784.db2.gz BULJUCAJTLSGCT-SECBINFHSA-N 0 1 328.250 2.741 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340210991 475861422 /nfs/dbraw/zinc/86/14/22/475861422.db2.gz OQDWHGBNAMAJCJ-UONOGXRCSA-N 0 1 348.321 2.751 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340211450 475861859 /nfs/dbraw/zinc/86/18/59/475861859.db2.gz XFHZZVLPUAKYDM-ZIAGYGMSSA-N 0 1 348.321 2.751 20 5 EFBDMN Cc1c([C@H](C)NC[C@@H]2CCCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000346805340 475874154 /nfs/dbraw/zinc/87/41/54/475874154.db2.gz IFTVPKSWGSCFBA-STQMWFEESA-N 0 1 326.418 2.521 20 5 EFBDMN O=C(c1ccccc1)c1ccc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000346821962 475885312 /nfs/dbraw/zinc/88/53/12/475885312.db2.gz DYTLNTJDOZDSNX-UHFFFAOYSA-N 0 1 337.339 2.599 20 5 EFBDMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000338420819 475887140 /nfs/dbraw/zinc/88/71/40/475887140.db2.gz GNJYDWGCXGALSE-AWEZNQCLSA-N 0 1 335.404 2.685 20 5 EFBDMN CCC[C@@H](NC[C@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346840690 475903252 /nfs/dbraw/zinc/90/32/52/475903252.db2.gz UXQMXWVLYYHUNU-HZPDHXFCSA-N 0 1 340.445 2.993 20 5 EFBDMN C[C@@H]1C[C@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000353396499 475935805 /nfs/dbraw/zinc/93/58/05/475935805.db2.gz UBLAHAKZXZUDPS-CKEIUWERSA-N 0 1 344.415 2.822 20 5 EFBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000353397852 475936855 /nfs/dbraw/zinc/93/68/55/475936855.db2.gz YCVDQCDFHANCJD-LLVKDONJSA-N 0 1 327.340 2.777 20 5 EFBDMN C[C@@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340316926 475939953 /nfs/dbraw/zinc/93/99/53/475939953.db2.gz OTXQLAVYTQHSCS-SNVBAGLBSA-N 0 1 345.321 2.780 20 5 EFBDMN CCO[C@@H]1COCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000362020426 475941955 /nfs/dbraw/zinc/94/19/55/475941955.db2.gz XKEDOZVSYHTZFR-HZPDHXFCSA-N 0 1 347.371 2.533 20 5 EFBDMN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000358799957 475948957 /nfs/dbraw/zinc/94/89/57/475948957.db2.gz LGBAHPWBRBBPMK-UHFFFAOYSA-N 0 1 346.368 2.889 20 5 EFBDMN Cc1cc2[nH]ncc2cc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000358802994 475953030 /nfs/dbraw/zinc/95/30/30/475953030.db2.gz QSNLLKHXBWPPMG-UHFFFAOYSA-N 0 1 346.368 2.721 20 5 EFBDMN CC(C)c1nc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000298034960 475960463 /nfs/dbraw/zinc/96/04/63/475960463.db2.gz HCCHLYNYISNGPN-UHFFFAOYSA-N 0 1 346.391 2.571 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN(c2cc(F)ccc2F)CC1 ZINC000353461321 475989120 /nfs/dbraw/zinc/98/91/20/475989120.db2.gz FKJOUXYOFFHPEV-UHFFFAOYSA-N 0 1 349.337 2.901 20 5 EFBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C1 ZINC000355531788 476010912 /nfs/dbraw/zinc/01/09/12/476010912.db2.gz KWVWGDQZIJTZOP-CYBMUJFWSA-N 0 1 325.368 2.615 20 5 EFBDMN O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CC[C@H](CO)O2)c2ccccc2)c1 ZINC000340414644 476020733 /nfs/dbraw/zinc/02/07/33/476020733.db2.gz ILUFYGZCVTXFPG-IPMKNSEASA-N 0 1 342.395 2.814 20 5 EFBDMN Cc1[nH]nc(C(=O)N2Cc3cc(C)ccc3CC2(C)C)c1[N+](=O)[O-] ZINC000358900373 476022718 /nfs/dbraw/zinc/02/27/18/476022718.db2.gz HQKDTWJROOZNHQ-UHFFFAOYSA-N 0 1 328.372 2.912 20 5 EFBDMN COCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[C@@H](C)C1 ZINC000362152628 476034811 /nfs/dbraw/zinc/03/48/11/476034811.db2.gz WEQKHGLUJULTSO-HIFRSBDPSA-N 0 1 349.431 2.979 20 5 EFBDMN Cc1ccnc(N2CCN(C)[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000343698864 476102987 /nfs/dbraw/zinc/10/29/87/476102987.db2.gz CTWDTUGNYYHHAY-MRXNPFEDSA-N 0 1 326.400 2.661 20 5 EFBDMN COC[C@](C)(CC(=O)OC)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000350262100 476113200 /nfs/dbraw/zinc/11/32/00/476113200.db2.gz HHOIRBHTVIDIBO-KRWDZBQOSA-N 0 1 338.404 2.776 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1(c2ccccc2)CC1 ZINC000338711819 476126442 /nfs/dbraw/zinc/12/64/42/476126442.db2.gz BXTGVNXQTIZAJQ-UHFFFAOYSA-N 0 1 336.344 2.702 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c1[N+](=O)[O-] ZINC000357052996 476191792 /nfs/dbraw/zinc/19/17/92/476191792.db2.gz GIMULKBZCGLCLG-HBWSCVEGSA-N 0 1 326.356 2.944 20 5 EFBDMN Cc1[nH]ncc1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362360179 476194139 /nfs/dbraw/zinc/19/41/39/476194139.db2.gz SOYIPOVIHWBZOH-UHFFFAOYSA-N 0 1 327.319 2.861 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)n[nH]1 ZINC000357058948 476196159 /nfs/dbraw/zinc/19/61/59/476196159.db2.gz RHFXPZJNJGDDAY-UWVGGRQHSA-N 0 1 347.375 2.726 20 5 EFBDMN CC1(C)CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1CCO ZINC000302531382 476196437 /nfs/dbraw/zinc/19/64/37/476196437.db2.gz LHTKOBPLXSEFHT-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN CC[C@@]1(C)CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000362391960 476217742 /nfs/dbraw/zinc/21/77/42/476217742.db2.gz WOHMJCFEZUHQBS-SFHVURJKSA-N 0 1 331.416 2.996 20 5 EFBDMN COc1ccc(-c2ccc(CN(C)Cc3nnc[nH]3)o2)c([N+](=O)[O-])c1 ZINC000353740983 476234301 /nfs/dbraw/zinc/23/43/01/476234301.db2.gz QJWJZGUYCKORFJ-UHFFFAOYSA-N 0 1 343.343 2.614 20 5 EFBDMN O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000344306304 476234900 /nfs/dbraw/zinc/23/49/00/476234900.db2.gz KFKOSUYPLOVYLO-UHFFFAOYSA-N 0 1 327.275 2.771 20 5 EFBDMN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc2cncn2c1 ZINC000340730279 476236221 /nfs/dbraw/zinc/23/62/21/476236221.db2.gz BMIBOTKWVHKQIY-UHFFFAOYSA-N 0 1 348.322 2.681 20 5 EFBDMN C[C@H](CCc1ccc(O)cc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357139183 476258516 /nfs/dbraw/zinc/25/85/16/476258516.db2.gz FDMWNFUDDUKMCC-LLVKDONJSA-N 0 1 330.340 2.757 20 5 EFBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000344334310 476259613 /nfs/dbraw/zinc/25/96/13/476259613.db2.gz DJIQZMDNRFTNDY-UHFFFAOYSA-N 0 1 341.302 2.700 20 5 EFBDMN COC(=O)COc1ccc(CNCc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000353770051 476260293 /nfs/dbraw/zinc/26/02/93/476260293.db2.gz QYVKSVMYEMZUHY-UHFFFAOYSA-N 0 1 344.367 2.745 20 5 EFBDMN Cc1cc(N2CCC[C@]3(CNC(=O)C3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340778534 476266781 /nfs/dbraw/zinc/26/67/81/476266781.db2.gz NSOBLNBYSHKPRT-SFHVURJKSA-N 0 1 340.383 2.558 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC=C(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000359995308 476280812 /nfs/dbraw/zinc/28/08/12/476280812.db2.gz CVVHTQSLSUNCMA-UHFFFAOYSA-N 0 1 330.319 2.559 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000360041602 476286010 /nfs/dbraw/zinc/28/60/10/476286010.db2.gz IFNVDSJKMXVPFX-UHFFFAOYSA-N 0 1 347.396 2.978 20 5 EFBDMN Cc1cc2[nH]ncc2cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000360416113 476301897 /nfs/dbraw/zinc/30/18/97/476301897.db2.gz CSMCPYBURWMSEP-UHFFFAOYSA-N 0 1 326.312 2.797 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)CC[C@@H]1C ZINC000354005846 476356550 /nfs/dbraw/zinc/35/65/50/476356550.db2.gz IQGJCRDPKWQOBR-STQMWFEESA-N 0 1 337.445 2.628 20 5 EFBDMN Cc1cc(NCc2ncccc2N(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000357606907 476485992 /nfs/dbraw/zinc/48/59/92/476485992.db2.gz IBLKUPCXXMEUGE-UHFFFAOYSA-N 0 1 337.383 2.946 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000360951130 476497544 /nfs/dbraw/zinc/49/75/44/476497544.db2.gz KSIJFODIWPARKI-DGCLKSJQSA-N 0 1 345.403 2.721 20 5 EFBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(-c2nnc[nH]2)c1 ZINC000352190303 476538042 /nfs/dbraw/zinc/53/80/42/476538042.db2.gz MPRPMPFHWRJPRS-UHFFFAOYSA-N 0 1 327.275 2.771 20 5 EFBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cn[nH]c1-c1ccncc1 ZINC000352192252 476539366 /nfs/dbraw/zinc/53/93/66/476539366.db2.gz ZTLOWGHTNHEJRK-UHFFFAOYSA-N 0 1 327.275 2.771 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374908528 476586118 /nfs/dbraw/zinc/58/61/18/476586118.db2.gz FGZUJEBNRHNQRY-SFHVURJKSA-N 0 1 346.358 2.706 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374908526 476586400 /nfs/dbraw/zinc/58/64/00/476586400.db2.gz FGZUJEBNRHNQRY-GOSISDBHSA-N 0 1 346.358 2.706 20 5 EFBDMN CCc1cnccc1[C@@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000361136584 476627768 /nfs/dbraw/zinc/62/77/68/476627768.db2.gz QXKGSBAPNBYMDO-CYBMUJFWSA-N 0 1 342.399 2.866 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nccn2C)C1 ZINC000365618274 476648898 /nfs/dbraw/zinc/64/88/98/476648898.db2.gz ABKGLHXELMOCQP-CYBMUJFWSA-N 0 1 330.388 2.717 20 5 EFBDMN Cc1cc(C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000354418446 476650545 /nfs/dbraw/zinc/65/05/45/476650545.db2.gz PDCQRPPASWZUKJ-UHFFFAOYSA-N 0 1 332.335 2.785 20 5 EFBDMN O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000363328353 476653760 /nfs/dbraw/zinc/65/37/60/476653760.db2.gz HOTVJHJLBKRZSQ-AWEZNQCLSA-N 0 1 329.356 2.582 20 5 EFBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000363328353 476653767 /nfs/dbraw/zinc/65/37/67/476653767.db2.gz HOTVJHJLBKRZSQ-AWEZNQCLSA-N 0 1 329.356 2.582 20 5 EFBDMN CN(C)[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])c1ccco1 ZINC000352351130 476655478 /nfs/dbraw/zinc/65/54/78/476655478.db2.gz SZSAKIYXYXQOTN-OAHLLOKOSA-N 0 1 326.356 2.873 20 5 EFBDMN Cn1c2ccc(N=c3[nH]c4ccccc4cc3[N+](=O)[O-])cc2oc1=O ZINC000352358944 476660410 /nfs/dbraw/zinc/66/04/10/476660410.db2.gz ADZUJKNVPKBOKN-UHFFFAOYSA-N 0 1 336.307 2.753 20 5 EFBDMN C[C@H](N=c1[nH]c2ccccc2cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000352362613 476663408 /nfs/dbraw/zinc/66/34/08/476663408.db2.gz WPOYWRFNTUUFEI-OLZOCXBDSA-N 0 1 342.399 2.766 20 5 EFBDMN C[C@@H](NCC(=O)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370161602 476681559 /nfs/dbraw/zinc/68/15/59/476681559.db2.gz LAXAEGXLWSFGHY-GFCCVEGCSA-N 0 1 345.424 2.892 20 5 EFBDMN Cc1[nH]ncc1CCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429839898 476701171 /nfs/dbraw/zinc/70/11/71/476701171.db2.gz TXFZACQNUZXNJI-UHFFFAOYSA-N 0 1 330.388 2.653 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000365798488 476705642 /nfs/dbraw/zinc/70/56/42/476705642.db2.gz VIHRZKBSAIUYNH-CYBMUJFWSA-N 0 1 335.360 2.752 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@](CO)(c2ccccc2)C1 ZINC000365830410 476720922 /nfs/dbraw/zinc/72/09/22/476720922.db2.gz GLMOMKOWEAFPLP-IBGZPJMESA-N 0 1 342.395 2.739 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@](CO)(c2ccccc2)C1 ZINC000365830411 476721796 /nfs/dbraw/zinc/72/17/96/476721796.db2.gz GLMOMKOWEAFPLP-LJQANCHMSA-N 0 1 342.395 2.739 20 5 EFBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(CCOCC2)[C@H]1C ZINC000375235606 476729982 /nfs/dbraw/zinc/72/99/82/476729982.db2.gz ZRRBARNONQYAPK-UONOGXRCSA-N 0 1 347.415 2.813 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452012313 476775055 /nfs/dbraw/zinc/77/50/55/476775055.db2.gz LWDIMFAKZVCAFU-KBPBESRZSA-N 0 1 334.420 2.700 20 5 EFBDMN C[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000390535820 476794926 /nfs/dbraw/zinc/79/49/26/476794926.db2.gz KCBBRPBKJNBZLB-LBPRGKRZSA-N 0 1 344.371 2.620 20 5 EFBDMN CC1(C)CCCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000446071111 476820353 /nfs/dbraw/zinc/82/03/53/476820353.db2.gz ONLPESMNBCESMR-UHFFFAOYSA-N 0 1 331.416 2.996 20 5 EFBDMN CC(C)[N@H+]1CC[C@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000457091507 476869722 /nfs/dbraw/zinc/86/97/22/476869722.db2.gz WEWHOPCMDBETLU-ZDUSSCGKSA-N 0 1 337.445 2.628 20 5 EFBDMN CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000457091505 476869883 /nfs/dbraw/zinc/86/98/83/476869883.db2.gz WEWHOPCMDBETLU-CYBMUJFWSA-N 0 1 337.445 2.628 20 5 EFBDMN CSc1cccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000452177184 476870378 /nfs/dbraw/zinc/87/03/78/476870378.db2.gz WVGIIKATFVYXBB-GFCCVEGCSA-N 0 1 349.456 2.873 20 5 EFBDMN CCc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n[nH]1 ZINC000452181084 476874380 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CCCC[N@H+]1CCCC[C@@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516869621 478001524 /nfs/dbraw/zinc/00/15/24/478001524.db2.gz MKEBVIRQBRWAKE-GFCCVEGCSA-N 0 1 336.392 2.755 20 5 EFBDMN CO[C@@]1(C)C[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451481151 478041758 /nfs/dbraw/zinc/04/17/58/478041758.db2.gz AHHVCBSLRFEIPG-GUYCJALGSA-N 0 1 346.387 2.938 20 5 EFBDMN CO[C@@H]1[C@@H](C)[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000451504091 478056119 /nfs/dbraw/zinc/05/61/19/478056119.db2.gz JLAKDYTWOMFCLK-NZVBXONLSA-N 0 1 346.387 2.794 20 5 EFBDMN NC(=O)C1(NCc2ccc([N+](=O)[O-])cc2F)C2CC3CC(C2)CC1C3 ZINC000459766519 478080427 /nfs/dbraw/zinc/08/04/27/478080427.db2.gz DTOMUCDYEGICGM-UHFFFAOYSA-N 0 1 347.390 2.504 20 5 EFBDMN COCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCC[C@@H]1C ZINC000487959922 478090764 /nfs/dbraw/zinc/09/07/64/478090764.db2.gz SKKAUVDBHZLVDC-WMLDXEAASA-N 0 1 349.431 2.979 20 5 EFBDMN COCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCC[C@H]1C ZINC000487959920 478092066 /nfs/dbraw/zinc/09/20/66/478092066.db2.gz SKKAUVDBHZLVDC-PBHICJAKSA-N 0 1 349.431 2.979 20 5 EFBDMN COCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000487963673 478094650 /nfs/dbraw/zinc/09/46/50/478094650.db2.gz RNLXWGAWIQUKAT-ZFWWWQNUSA-N 0 1 335.404 2.670 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000560530155 478105210 /nfs/dbraw/zinc/10/52/10/478105210.db2.gz OGUIURYNCGWRHQ-ZDUSSCGKSA-N 0 1 343.387 2.685 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000495135174 478127742 /nfs/dbraw/zinc/12/77/42/478127742.db2.gz FJCFZRGYJPMGEV-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN CO[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1OC ZINC000488515361 478157388 /nfs/dbraw/zinc/15/73/88/478157388.db2.gz KRLFQYGHWJBUBX-CALCHBBNSA-N 0 1 332.356 2.700 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)nc2c1 ZINC000451699062 478165100 /nfs/dbraw/zinc/16/51/00/478165100.db2.gz TZZKMTRYUYPATC-BZPMIXESSA-N 0 1 331.372 2.719 20 5 EFBDMN CCCCOC1CCN(C(=O)c2n[nH]c(CCC)c2[N+](=O)[O-])CC1 ZINC000440839922 478168462 /nfs/dbraw/zinc/16/84/62/478168462.db2.gz DOEHQOATGMXWQW-UHFFFAOYSA-N 0 1 338.408 2.692 20 5 EFBDMN Cc1nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)C2)n[nH]1 ZINC000518563981 478178698 /nfs/dbraw/zinc/17/86/98/478178698.db2.gz BWTFXSXHWLZFJR-GFCCVEGCSA-N 0 1 346.391 2.588 20 5 EFBDMN Cc1nnc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)C2)[nH]1 ZINC000518563981 478178702 /nfs/dbraw/zinc/17/87/02/478178702.db2.gz BWTFXSXHWLZFJR-GFCCVEGCSA-N 0 1 346.391 2.588 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](CO)CC(C)(C)C ZINC000451787969 478203444 /nfs/dbraw/zinc/20/34/44/478203444.db2.gz YOYXNPJXQKEZIK-CQSZACIVSA-N 0 1 337.420 2.571 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489398738 478240221 /nfs/dbraw/zinc/24/02/21/478240221.db2.gz SZUDPDVQVFYANY-FUHWJXTLSA-N 0 1 347.459 2.962 20 5 EFBDMN COC(=O)c1coc([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000562601365 478277468 /nfs/dbraw/zinc/27/74/68/478277468.db2.gz IVNXUMHYEXTCPP-LLVKDONJSA-N 0 1 334.328 2.704 20 5 EFBDMN CO[C@H]1C[C@@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000590661467 478279192 /nfs/dbraw/zinc/27/91/92/478279192.db2.gz SZMPLJHFZWTFPN-SJORKVTESA-N 0 1 348.399 2.755 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC(C(F)(F)F)C1 ZINC000597311506 478286796 /nfs/dbraw/zinc/28/67/96/478286796.db2.gz FMGMCIINYJDCCU-UHFFFAOYSA-N 0 1 340.261 2.619 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(=O)NCCc1ccccc1 ZINC000537422692 478301825 /nfs/dbraw/zinc/30/18/25/478301825.db2.gz JYVCWEYZNTUPAE-HNNXBMFYSA-N 0 1 341.411 2.913 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000490290492 478326703 /nfs/dbraw/zinc/32/67/03/478326703.db2.gz RMHOQKRIIBYGSL-HNNXBMFYSA-N 0 1 333.432 2.932 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000490290492 478326709 /nfs/dbraw/zinc/32/67/09/478326709.db2.gz RMHOQKRIIBYGSL-HNNXBMFYSA-N 0 1 333.432 2.932 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000490302039 478328176 /nfs/dbraw/zinc/32/81/76/478328176.db2.gz SUEFYDMZEPOGCL-CYBMUJFWSA-N 0 1 325.796 2.660 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000490302039 478328182 /nfs/dbraw/zinc/32/81/82/478328182.db2.gz SUEFYDMZEPOGCL-CYBMUJFWSA-N 0 1 325.796 2.660 20 5 EFBDMN CN(CCN1CCN(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000520659001 478333325 /nfs/dbraw/zinc/33/33/25/478333325.db2.gz NZASDMRNZPOGKC-UHFFFAOYSA-N 0 1 340.427 2.853 20 5 EFBDMN C[C@@H](NCc1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000590779382 478334146 /nfs/dbraw/zinc/33/41/46/478334146.db2.gz IPFOKAXUHPYMCE-GFCCVEGCSA-N 0 1 334.397 2.849 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000594375430 478350052 /nfs/dbraw/zinc/35/00/52/478350052.db2.gz OGMNUIOVRULPNJ-VXGBXAGGSA-N 0 1 330.388 2.631 20 5 EFBDMN CCC(C)(C)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000594389481 478356733 /nfs/dbraw/zinc/35/67/33/478356733.db2.gz JNSJKFVRFVDAMU-UHFFFAOYSA-N 0 1 335.404 2.550 20 5 EFBDMN CCC(C)(C)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000594389153 478357210 /nfs/dbraw/zinc/35/72/10/478357210.db2.gz FXEADXCIYAFETK-UHFFFAOYSA-N 0 1 335.404 2.550 20 5 EFBDMN CC(C)(CO)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000597577434 478417049 /nfs/dbraw/zinc/41/70/49/478417049.db2.gz GKGXQYTXXNPADW-INIZCTEOSA-N 0 1 344.367 2.790 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C(C)(C)C1 ZINC000570738387 478434822 /nfs/dbraw/zinc/43/48/22/478434822.db2.gz CYFDUHGRWYZWNN-HNNXBMFYSA-N 0 1 333.432 2.716 20 5 EFBDMN CCC(=O)c1ccc(NCc2n[nH]c([C@H]3CCCO3)n2)c([N+](=O)[O-])c1 ZINC000594589436 478450777 /nfs/dbraw/zinc/45/07/77/478450777.db2.gz JWSCBIJFTZFAEJ-CQSZACIVSA-N 0 1 345.359 2.769 20 5 EFBDMN COCCN1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591146710 478474804 /nfs/dbraw/zinc/47/48/04/478474804.db2.gz RDWGDASTCMUIGM-JTQLQIEISA-N 0 1 348.325 2.531 20 5 EFBDMN Cc1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563203640 478478877 /nfs/dbraw/zinc/47/88/77/478478877.db2.gz ARGODKVINOQJSX-LBPRGKRZSA-N 0 1 347.415 2.912 20 5 EFBDMN O=C([O-])[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000591269543 478503158 /nfs/dbraw/zinc/50/31/58/478503158.db2.gz ADONEFJZRQZJEF-AWEZNQCLSA-N 0 1 348.380 2.609 20 5 EFBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000591269543 478503167 /nfs/dbraw/zinc/50/31/67/478503167.db2.gz ADONEFJZRQZJEF-AWEZNQCLSA-N 0 1 348.380 2.609 20 5 EFBDMN CC(C)N1CCO[C@@H](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000600784505 478519675 /nfs/dbraw/zinc/51/96/75/478519675.db2.gz LEIHFXSGHYHCFF-QGZVFWFLSA-N 0 1 330.388 2.568 20 5 EFBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3ccncc32)cc1 ZINC000571132826 478525852 /nfs/dbraw/zinc/52/58/52/478525852.db2.gz IENBXXHAJMQSMU-UHFFFAOYSA-N 0 1 329.337 2.944 20 5 EFBDMN C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1C(=O)[O-] ZINC000600799079 478526961 /nfs/dbraw/zinc/52/69/61/478526961.db2.gz CZPOOOUBMBNCJJ-JOYOIKCWSA-N 0 1 344.314 2.739 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc(CN[C@@H](CO)C3CCCCC3)n2)cc1 ZINC000541052086 478532587 /nfs/dbraw/zinc/53/25/87/478532587.db2.gz XWGRQYPMYDXFQG-HNNXBMFYSA-N 0 1 346.387 2.676 20 5 EFBDMN C[C@@H](Cc1cnc[nH]1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000563379733 478542329 /nfs/dbraw/zinc/54/23/29/478542329.db2.gz WUXKDDIDRWHUSK-LBPRGKRZSA-N 0 1 328.372 2.688 20 5 EFBDMN CC(C)(C)[C@H]1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000541268574 478545109 /nfs/dbraw/zinc/54/51/09/478545109.db2.gz NUQXQXOBQJYWFU-WFASDCNBSA-N 0 1 345.399 2.595 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000600942583 478579757 /nfs/dbraw/zinc/57/97/57/478579757.db2.gz FOWTVTNYPBUMDI-LBPRGKRZSA-N 0 1 337.376 2.828 20 5 EFBDMN CCc1ccc(C(=O)NC[C@H](N)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000591681202 478605523 /nfs/dbraw/zinc/60/55/23/478605523.db2.gz XPBZLCAWGSTYCP-HNNXBMFYSA-N 0 1 343.383 2.596 20 5 EFBDMN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(CO)CC1 ZINC000594969491 478611114 /nfs/dbraw/zinc/61/11/14/478611114.db2.gz PXFANBQVJQHBLN-NSHDSACASA-N 0 1 333.413 2.969 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN[C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000563667354 478613374 /nfs/dbraw/zinc/61/33/74/478613374.db2.gz RHOFQLCRYWACFR-AWEZNQCLSA-N 0 1 345.384 2.532 20 5 EFBDMN CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039595 478637512 /nfs/dbraw/zinc/63/75/12/478637512.db2.gz TZDRUVWXRFTMHH-OLZOCXBDSA-N 0 1 337.420 2.806 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000591810764 478638164 /nfs/dbraw/zinc/63/81/64/478638164.db2.gz FNMOQBZDATXHSA-MRXNPFEDSA-N 0 1 346.383 2.722 20 5 EFBDMN Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563814226 478638661 /nfs/dbraw/zinc/63/86/61/478638661.db2.gz RZIWZWVXTHYDTI-SLEUVZQESA-N 0 1 347.415 2.768 20 5 EFBDMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1)CCc1ccccc1[N+](=O)[O-] ZINC000563976053 478677603 /nfs/dbraw/zinc/67/76/03/478677603.db2.gz FALVLLBEIIHVRO-UHFFFAOYSA-N 0 1 344.367 2.846 20 5 EFBDMN C[C@H](C(=O)Nc1nc(-c2ccncc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000571839241 478686994 /nfs/dbraw/zinc/68/69/94/478686994.db2.gz UXSKLUBRFRWFFX-JTQLQIEISA-N 0 1 338.327 2.517 20 5 EFBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cnccc1-n1ccnc1 ZINC000571848204 478688490 /nfs/dbraw/zinc/68/84/90/478688490.db2.gz QQHAJYVPVRTWCE-UHFFFAOYSA-N 0 1 337.339 2.747 20 5 EFBDMN C[C@@]1(c2ccccc2)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000542810912 478692520 /nfs/dbraw/zinc/69/25/20/478692520.db2.gz PZEGPOXKSDLAFF-SFHVURJKSA-N 0 1 342.351 2.688 20 5 EFBDMN CC[C@@H]1CN(C)CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000601188660 478713449 /nfs/dbraw/zinc/71/34/49/478713449.db2.gz LQAYGJWKYOJYRH-SNVBAGLBSA-N 0 1 343.225 2.673 20 5 EFBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1nc[nH]n1 ZINC000582920855 478719913 /nfs/dbraw/zinc/71/99/13/478719913.db2.gz WGQSFXNOWTVHOI-UHFFFAOYSA-N 0 1 349.416 2.576 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000543502339 478749598 /nfs/dbraw/zinc/74/95/98/478749598.db2.gz SXRKHGMUFJBFMR-ZDUSSCGKSA-N 0 1 345.403 2.970 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000598306604 478757136 /nfs/dbraw/zinc/75/71/36/478757136.db2.gz IAJUJCIWHGNYRK-WBMJQRKESA-N 0 1 334.372 2.722 20 5 EFBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](n1cncn1)C(F)(F)F ZINC000601293650 478768718 /nfs/dbraw/zinc/76/87/18/478768718.db2.gz IJIPSGQQZKSICY-DGCLKSJQSA-N 0 1 341.293 2.567 20 5 EFBDMN Cc1c([C@H](C)NC[C@@H](n2cncn2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000601295391 478769914 /nfs/dbraw/zinc/76/99/14/478769914.db2.gz VONWULQERXSZER-GXFFZTMASA-N 0 1 343.309 2.949 20 5 EFBDMN CC[C@@H]1CN(C)CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000572219901 478779300 /nfs/dbraw/zinc/77/93/00/478779300.db2.gz GUZFLWXDIUYZER-MRXNPFEDSA-N 0 1 348.447 2.653 20 5 EFBDMN C[C@H]1CCC[N@@H+](CCCCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000564658923 478780329 /nfs/dbraw/zinc/78/03/29/478780329.db2.gz MQCPIBTXNFEXPL-LBPRGKRZSA-N 0 1 336.392 2.612 20 5 EFBDMN O=C1Nc2ccccc2[C@]12CCN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595450654 478792337 /nfs/dbraw/zinc/79/23/37/478792337.db2.gz VGTXMGBNMPIKPV-GOSISDBHSA-N 0 1 341.342 2.830 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(c2cnc[nH]2)CC1 ZINC000492055129 478802768 /nfs/dbraw/zinc/80/27/68/478802768.db2.gz BLPZDGVULQZSRZ-DUXPYHPUSA-N 0 1 344.346 2.876 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595478200 478808854 /nfs/dbraw/zinc/80/88/54/478808854.db2.gz ZBACUFSDBUXKPH-USXIJHARSA-N 0 1 331.416 2.516 20 5 EFBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595484599 478814432 /nfs/dbraw/zinc/81/44/32/478814432.db2.gz MJLBLRISGISUOF-YQQAZPJKSA-N 0 1 331.416 2.516 20 5 EFBDMN Cc1noc(CN(C[C@@H](C)c2ccccc2)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595498462 478820416 /nfs/dbraw/zinc/82/04/16/478820416.db2.gz TWUAERRMRAXSOB-OLZOCXBDSA-N 0 1 333.388 2.878 20 5 EFBDMN Cc1cc(C2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000601404120 478822026 /nfs/dbraw/zinc/82/20/26/478822026.db2.gz SIUBEXZETNTQNP-UHFFFAOYSA-N 0 1 332.335 2.785 20 5 EFBDMN O=C(C=Cc1cccc([N+](=O)[O-])c1)N1CCC(c2cnc[nH]2)CC1 ZINC000492102330 478823837 /nfs/dbraw/zinc/82/38/37/478823837.db2.gz GQEQNULDCCJCFC-PLNGDYQASA-N 0 1 326.356 2.737 20 5 EFBDMN CCOC(=O)c1c(C)[nH]nc1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000595510202 478827841 /nfs/dbraw/zinc/82/78/41/478827841.db2.gz LDLWTTIATXYJHP-UHFFFAOYSA-N 0 1 346.387 2.828 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCCCS1(=O)=O ZINC000544386558 478831046 /nfs/dbraw/zinc/83/10/46/478831046.db2.gz QIXFHTWXILWMPW-JSGCOSHPSA-N 0 1 326.418 2.521 20 5 EFBDMN Cc1cc(N2CCC[C@H](N3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000583391874 478840890 /nfs/dbraw/zinc/84/08/90/478840890.db2.gz KPHPCRSOTRXHAF-AWEZNQCLSA-N 0 1 337.395 2.733 20 5 EFBDMN O=C([O-])c1cccc2c1CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000583392393 478841562 /nfs/dbraw/zinc/84/15/62/478841562.db2.gz FUVZDWLXCPZSSX-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN COc1cc([N+](=O)[O-])c(-c2nc([C@H]3CCCN3)no2)cc1SC ZINC000592356932 478867654 /nfs/dbraw/zinc/86/76/54/478867654.db2.gz LYRURLLHTOKGDR-SECBINFHSA-N 0 1 336.373 2.800 20 5 EFBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2ccc(CO)cc2)c1 ZINC000592372206 478869825 /nfs/dbraw/zinc/86/98/25/478869825.db2.gz PCGACMJTEPOZGA-UHFFFAOYSA-N 0 1 338.310 2.978 20 5 EFBDMN CCc1nc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n[nH]1 ZINC000572652482 478889387 /nfs/dbraw/zinc/88/93/87/478889387.db2.gz WHYPMWSKSGMPPP-LBPRGKRZSA-N 0 1 329.282 2.669 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000492274597 478904556 /nfs/dbraw/zinc/90/45/56/478904556.db2.gz RVNCNLGTUQUOPI-ONRRBMGISA-N 0 1 347.350 2.866 20 5 EFBDMN CNC(=O)COc1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000507212910 478909393 /nfs/dbraw/zinc/90/93/93/478909393.db2.gz NXUSBMJDTFKBEM-CYBMUJFWSA-N 0 1 343.383 2.570 20 5 EFBDMN O=C([O-])C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccccc1 ZINC000565107420 478915943 /nfs/dbraw/zinc/91/59/43/478915943.db2.gz VKYLISUZTOPPLY-UHFFFAOYSA-N 0 1 344.367 2.603 20 5 EFBDMN O=C1C[C@H]([C@H]2CCCCN2Cc2c(Cl)cccc2[N+](=O)[O-])CN1 ZINC000492294612 478916115 /nfs/dbraw/zinc/91/61/15/478916115.db2.gz NYQTUWYEBSPGAY-SMDDNHRTSA-N 0 1 337.807 2.739 20 5 EFBDMN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1(C(F)F)CCCCC1 ZINC000508124712 478934396 /nfs/dbraw/zinc/93/43/96/478934396.db2.gz JLMBVJCIFNGBHX-UHFFFAOYSA-N 0 1 348.371 2.982 20 5 EFBDMN C[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CCO ZINC000595695897 478940062 /nfs/dbraw/zinc/94/00/62/478940062.db2.gz IYKGEYXYXBUJNW-SWLSCSKDSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1CO ZINC000598647054 478941931 /nfs/dbraw/zinc/94/19/31/478941931.db2.gz MXNXRVKKYCKYHA-TZMCWYRMSA-N 0 1 331.372 2.700 20 5 EFBDMN COc1cc(CN2CCC[C@@H](C)[C@H]2CCO)c([N+](=O)[O-])cc1F ZINC000595702197 478946599 /nfs/dbraw/zinc/94/65/99/478946599.db2.gz SWBOUURCNRYSKA-BXUZGUMPSA-N 0 1 326.368 2.725 20 5 EFBDMN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000565217514 478954387 /nfs/dbraw/zinc/95/43/87/478954387.db2.gz LZWOEVSQWVCESN-DYVFJYSZSA-N 0 1 339.395 2.877 20 5 EFBDMN Cc1sc(S(=O)(=O)Nc2cccc(O)c2F)cc1[N+](=O)[O-] ZINC000545933397 478975841 /nfs/dbraw/zinc/97/58/41/478975841.db2.gz JHOLUZGIULGSIA-UHFFFAOYSA-N 0 1 332.334 2.610 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC(Cc3ccsc3)C2)c1 ZINC000598706718 478982895 /nfs/dbraw/zinc/98/28/95/478982895.db2.gz ULUQMSGIYNNEAE-MRXNPFEDSA-N 0 1 348.424 2.571 20 5 EFBDMN CNC(=O)[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000492444701 478992450 /nfs/dbraw/zinc/99/24/50/478992450.db2.gz SVJDDCOLMZHTMY-NSHDSACASA-N 0 1 347.346 2.750 20 5 EFBDMN Cc1cccc(CN2CC[C@@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)c1 ZINC000601849878 479040056 /nfs/dbraw/zinc/04/00/56/479040056.db2.gz LDXYXHOKUNMNSF-OAHLLOKOSA-N 0 1 345.424 2.969 20 5 EFBDMN Cc1cccc(CN2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000601852150 479041307 /nfs/dbraw/zinc/04/13/07/479041307.db2.gz XHMJWNXBNYAXQB-CQSZACIVSA-N 0 1 329.356 2.501 20 5 EFBDMN C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]1(C)CO ZINC000595875110 479044514 /nfs/dbraw/zinc/04/45/14/479044514.db2.gz PLZXCXRRFUIHFI-SJCJKPOMSA-N 0 1 331.372 2.700 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000514676099 479046923 /nfs/dbraw/zinc/04/69/23/479046923.db2.gz UICCCVXRSUBLLW-HNNXBMFYSA-N 0 1 343.387 2.889 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000592801582 479049664 /nfs/dbraw/zinc/04/96/64/479049664.db2.gz JGLBAAQXZVRPBP-HNNXBMFYSA-N 0 1 343.387 2.889 20 5 EFBDMN CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592828326 479062319 /nfs/dbraw/zinc/06/23/19/479062319.db2.gz GPNQHNWUCQXAJK-CYBMUJFWSA-N 0 1 325.796 2.805 20 5 EFBDMN CCCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592828134 479063363 /nfs/dbraw/zinc/06/33/63/479063363.db2.gz CWPIJPXQARFJPZ-MRXNPFEDSA-N 0 1 347.415 2.500 20 5 EFBDMN CCCN(C(=O)c1ccc(OCC)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592832190 479063934 /nfs/dbraw/zinc/06/39/34/479063934.db2.gz STERVWYWZOZVQH-CQSZACIVSA-N 0 1 335.404 2.550 20 5 EFBDMN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C)C1 ZINC000592832159 479064170 /nfs/dbraw/zinc/06/41/70/479064170.db2.gz RWTFOKLTJAPZEE-GFCCVEGCSA-N 0 1 325.796 2.805 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)OC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000592904286 479098404 /nfs/dbraw/zinc/09/84/04/479098404.db2.gz NMLMHUWDFQTDLK-NSHDSACASA-N 0 1 336.392 2.615 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCOCCF)cs2)c1 ZINC000596057428 479112807 /nfs/dbraw/zinc/11/28/07/479112807.db2.gz QIDOALKMGQMNLL-UHFFFAOYSA-N 0 1 325.365 2.794 20 5 EFBDMN Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592978956 479115263 /nfs/dbraw/zinc/11/52/63/479115263.db2.gz UAQUOJLALLZIRC-JSGCOSHPSA-N 0 1 333.388 2.522 20 5 EFBDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)nc2)c([N+](=O)[O-])s1 ZINC000596070682 479120826 /nfs/dbraw/zinc/12/08/26/479120826.db2.gz RMDKXCCYFAAQTL-UHFFFAOYSA-N 0 1 347.444 2.724 20 5 EFBDMN Cc1cc(N2CCCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])s1 ZINC000596075335 479123442 /nfs/dbraw/zinc/12/34/42/479123442.db2.gz MIYLGKIJKNSOBW-ZDUSSCGKSA-N 0 1 325.434 2.656 20 5 EFBDMN C[C@H]1CCN(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000548039800 479123539 /nfs/dbraw/zinc/12/35/39/479123539.db2.gz CWMLTKYDYNCQJQ-AWEZNQCLSA-N 0 1 349.434 2.753 20 5 EFBDMN Cc1cc(NCc2cccnc2N2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000596092018 479133496 /nfs/dbraw/zinc/13/34/96/479133496.db2.gz HOUIEMVZANOHLI-UHFFFAOYSA-N 0 1 347.444 2.724 20 5 EFBDMN COc1ccc(OCCN2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593056064 479149323 /nfs/dbraw/zinc/14/93/23/479149323.db2.gz XDEBNGVNGCPZTM-HNNXBMFYSA-N 0 1 338.404 2.872 20 5 EFBDMN O=C([O-])c1sccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000584474682 479150141 /nfs/dbraw/zinc/15/01/41/479150141.db2.gz DCHDYMFLXLVJIX-UHFFFAOYSA-N 0 1 347.396 2.677 20 5 EFBDMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596144024 479161249 /nfs/dbraw/zinc/16/12/49/479161249.db2.gz ACNLSSSAJWGXIK-HNNXBMFYSA-N 0 1 342.399 2.654 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1N1CCC(N2CCOCC2)CC1 ZINC000599101780 479161824 /nfs/dbraw/zinc/16/18/24/479161824.db2.gz BMYAEFWUQIZJGY-UHFFFAOYSA-N 0 1 325.796 2.549 20 5 EFBDMN C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000573924398 479174348 /nfs/dbraw/zinc/17/43/48/479174348.db2.gz SEGVPAGWMTYMSU-GFCCVEGCSA-N 0 1 333.388 2.604 20 5 EFBDMN O=[N+]([O-])c1cccc(Br)c1NCCCc1nc[nH]n1 ZINC000596216032 479204298 /nfs/dbraw/zinc/20/42/98/479204298.db2.gz ITVGQYPLQKKPTN-UHFFFAOYSA-N 0 1 326.154 2.520 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cn[nH]c1C ZINC000602174148 479218029 /nfs/dbraw/zinc/21/80/29/479218029.db2.gz UJCWFVUWBGKTLN-AWEZNQCLSA-N 0 1 330.388 2.854 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C1 ZINC000584730368 479222446 /nfs/dbraw/zinc/22/24/46/479222446.db2.gz QNSULSQFXHWDHG-RYUDHWBXSA-N 0 1 330.388 2.631 20 5 EFBDMN O=C(Nc1ccc2c(c1)OCCCO2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610891154 479224297 /nfs/dbraw/zinc/22/42/97/479224297.db2.gz FEWHQIKHRUFZGH-UHFFFAOYSA-N 0 1 330.296 2.714 20 5 EFBDMN CC1(C)C[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc21 ZINC000610899030 479227800 /nfs/dbraw/zinc/22/78/00/479227800.db2.gz XRKLNZMOXCUBOT-ZDUSSCGKSA-N 0 1 347.396 2.691 20 5 EFBDMN C[C@H](C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000593189618 479229872 /nfs/dbraw/zinc/22/98/72/479229872.db2.gz VUBUMGYUUGUTEC-VOAKCMCISA-N 0 1 337.395 2.777 20 5 EFBDMN CSc1cccc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000593189292 479229976 /nfs/dbraw/zinc/22/99/76/479229976.db2.gz KKEPZFLNYYVFLK-GRYCIOLGSA-N 0 1 337.445 2.870 20 5 EFBDMN CCN1CCCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000596270320 479232422 /nfs/dbraw/zinc/23/24/22/479232422.db2.gz ZWJMSNIKZSMFEA-JTQLQIEISA-N 0 1 343.225 2.673 20 5 EFBDMN Cc1nc([C@@H]2CCCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])no1 ZINC000610923233 479232811 /nfs/dbraw/zinc/23/28/11/479232811.db2.gz QTUIQUIJWVEWMW-JTQLQIEISA-N 0 1 348.363 2.500 20 5 EFBDMN Cc1cc(N2CCc3cn[nH]c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611132992 479291070 /nfs/dbraw/zinc/29/10/70/479291070.db2.gz ABQJIHUBFQFUMA-UHFFFAOYSA-N 0 1 336.355 2.646 20 5 EFBDMN O=C(NC[C@H]1CCN1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000596514670 479324126 /nfs/dbraw/zinc/32/41/26/479324126.db2.gz XTZATFXFVOWLGE-QGZVFWFLSA-N 0 1 340.383 2.991 20 5 EFBDMN CCN(CCC(=O)OC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602450672 479339191 /nfs/dbraw/zinc/33/91/91/479339191.db2.gz SIPDKMSYVQHTQX-UHFFFAOYSA-N 0 1 334.294 2.999 20 5 EFBDMN CCc1nn(C)c(NC[C@@H]2CCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596559583 479339314 /nfs/dbraw/zinc/33/93/14/479339314.db2.gz ZMTHWTRYGHMPBN-AWEZNQCLSA-N 0 1 329.404 2.577 20 5 EFBDMN Cn1ccnc1[C@@H](N[C@H]1CC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000586790673 479355383 /nfs/dbraw/zinc/35/53/83/479355383.db2.gz NCFBJXPRRBYQJJ-LXZKKBNFSA-N 0 1 344.415 2.558 20 5 EFBDMN O=C(CCN1CCc2c(O)cccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000599649066 479367917 /nfs/dbraw/zinc/36/79/17/479367917.db2.gz XNLJCLGKCQAHND-UHFFFAOYSA-N 0 1 341.367 2.687 20 5 EFBDMN Cc1cc(N2CCC(N3CCOC[C@@H]3C)CC2)c([N+](=O)[O-])s1 ZINC000603404439 479374144 /nfs/dbraw/zinc/37/41/44/479374144.db2.gz ZGSGJLSGPOSXJN-NSHDSACASA-N 0 1 325.434 2.654 20 5 EFBDMN CCC(O)(CC)CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599673615 479383845 /nfs/dbraw/zinc/38/38/45/479383845.db2.gz RRBODXODOAORTA-ZDUSSCGKSA-N 0 1 337.420 2.713 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CNC3CCN(CC(F)F)CC3)nc2c1 ZINC000602531464 479384424 /nfs/dbraw/zinc/38/44/24/479384424.db2.gz ISMQLBHWGOIWRJ-UHFFFAOYSA-N 0 1 340.330 2.555 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)N2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000603431885 479385157 /nfs/dbraw/zinc/38/51/57/479385157.db2.gz HXVPNKRTXHXXAD-CYBMUJFWSA-N 0 1 334.420 2.700 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000593650997 479413824 /nfs/dbraw/zinc/41/38/24/479413824.db2.gz OBNLTCITBDXHJY-ZJUUUORDSA-N 0 1 349.366 2.785 20 5 EFBDMN O=[N+]([O-])c1ncccc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000603845102 479436137 /nfs/dbraw/zinc/43/61/37/479436137.db2.gz OVQFNSCQRJIJJA-UHFFFAOYSA-N 0 1 330.363 2.841 20 5 EFBDMN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCOC1 ZINC000603854724 479438635 /nfs/dbraw/zinc/43/86/35/479438635.db2.gz MWLBZWXYUFLPGI-GFCCVEGCSA-N 0 1 332.360 2.503 20 5 EFBDMN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCOC1 ZINC000603854725 479439172 /nfs/dbraw/zinc/43/91/72/479439172.db2.gz MWLBZWXYUFLPGI-LBPRGKRZSA-N 0 1 332.360 2.503 20 5 EFBDMN O=C([O-])[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000593743621 479443708 /nfs/dbraw/zinc/44/37/08/479443708.db2.gz GFVNLGYWWFUKOY-KRWDZBQOSA-N 0 1 342.351 2.658 20 5 EFBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593748921 479446340 /nfs/dbraw/zinc/44/63/40/479446340.db2.gz WUAXVRXWRKYARX-CYBMUJFWSA-N 0 1 336.388 2.796 20 5 EFBDMN O=[N+]([O-])c1ncccc1Nc1ccc(CCN2CCOCC2)cc1 ZINC000603942719 479454650 /nfs/dbraw/zinc/45/46/50/479454650.db2.gz MYJRZQROHGPOFH-UHFFFAOYSA-N 0 1 328.372 2.608 20 5 EFBDMN CC(C)[C@@H]1CNCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599915990 479469510 /nfs/dbraw/zinc/46/95/10/479469510.db2.gz AWJRGQZXQLFCAL-KRWDZBQOSA-N 0 1 348.447 2.557 20 5 EFBDMN O=[N+]([O-])c1sc(CNC[C@@H](O)C2CCC2)cc1Br ZINC000602680575 479472290 /nfs/dbraw/zinc/47/22/90/479472290.db2.gz DUXNAQZXWHUNAN-SNVBAGLBSA-N 0 1 335.223 2.669 20 5 EFBDMN COC(=O)c1cc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000602686525 479475866 /nfs/dbraw/zinc/47/58/66/479475866.db2.gz WSFJJXHYECYAIX-ZDUSSCGKSA-N 0 1 345.355 2.749 20 5 EFBDMN CNc1ccc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000604193490 479483602 /nfs/dbraw/zinc/48/36/02/479483602.db2.gz NCKJIDPPWWRGNK-UHFFFAOYSA-N 0 1 348.447 2.831 20 5 EFBDMN Cc1ccncc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611940371 479528960 /nfs/dbraw/zinc/52/89/60/479528960.db2.gz ZFCGDJJTAIHFFF-STQMWFEESA-N 0 1 328.372 2.976 20 5 EFBDMN CCN(CCC(F)(F)F)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000604525413 479533525 /nfs/dbraw/zinc/53/35/25/479533525.db2.gz BSPGSSJLEVVEMK-UHFFFAOYSA-N 0 1 330.266 2.886 20 5 EFBDMN COCc1csc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000597012793 479533777 /nfs/dbraw/zinc/53/37/77/479533777.db2.gz DNVJSUJJIHZGPG-CYBMUJFWSA-N 0 1 348.428 2.884 20 5 EFBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000604547275 479538623 /nfs/dbraw/zinc/53/86/23/479538623.db2.gz WIALPAOCJKYFAM-UHFFFAOYSA-N 0 1 349.310 2.509 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000576116755 479544462 /nfs/dbraw/zinc/54/44/62/479544462.db2.gz MELFKVPHHRHPTB-KRWDZBQOSA-N 0 1 346.431 2.581 20 5 EFBDMN Cc1cc(=O)[nH]c(C(C)(C)NCC=Cc2ccccc2[N+](=O)[O-])n1 ZINC000600181489 479567434 /nfs/dbraw/zinc/56/74/34/479567434.db2.gz QPLKPBNRBVXLEV-SOFGYWHQSA-N 0 1 328.372 2.937 20 5 EFBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](C)C1(F)F ZINC000600182615 479567933 /nfs/dbraw/zinc/56/79/33/479567933.db2.gz GOLIQOYTPQMLGA-DTORHVGOSA-N 0 1 338.314 2.834 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000600182791 479567943 /nfs/dbraw/zinc/56/79/43/479567943.db2.gz HXOQVAMLBQGSCD-DTORHVGOSA-N 0 1 330.335 2.634 20 5 EFBDMN Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576229763 479571008 /nfs/dbraw/zinc/57/10/08/479571008.db2.gz AUAVEVZMORKKNT-KRWDZBQOSA-N 0 1 333.388 2.524 20 5 EFBDMN COCCN1CCC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000615239435 479635611 /nfs/dbraw/zinc/63/56/11/479635611.db2.gz UKVSQJIXYYMUPA-HNNXBMFYSA-N 0 1 349.431 2.559 20 5 EFBDMN Cc1ncc([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000602953728 479649184 /nfs/dbraw/zinc/64/91/84/479649184.db2.gz BWUCQSZPWPKRJD-SNVBAGLBSA-N 0 1 334.401 2.673 20 5 EFBDMN Cc1ncc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000602956202 479649928 /nfs/dbraw/zinc/64/99/28/479649928.db2.gz MIIMUAXDLWEGJB-JTQLQIEISA-N 0 1 346.412 2.600 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000590601448 479667813 /nfs/dbraw/zinc/66/78/13/479667813.db2.gz AMRXPKBTTUUPRP-MRXNPFEDSA-N 0 1 344.415 2.963 20 5 EFBDMN CO[C@@]1(C)CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000619433481 479788363 /nfs/dbraw/zinc/78/83/63/479788363.db2.gz MGXVPQSBPUVXTA-KRWDZBQOSA-N 0 1 336.388 2.757 20 5 EFBDMN CN1CC2(C1)CCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000619565826 479830152 /nfs/dbraw/zinc/83/01/52/479830152.db2.gz DTWIOJUSTCGNRE-UHFFFAOYSA-N 0 1 331.397 2.587 20 5 EFBDMN COc1ccc2c(c1)CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000614032283 480171508 /nfs/dbraw/zinc/17/15/08/480171508.db2.gz BVRJIHKSAOWUIW-AWEZNQCLSA-N 0 1 342.351 2.596 20 5 EFBDMN CC1(C)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C(C)(C)CO1 ZINC000609663709 480194232 /nfs/dbraw/zinc/19/42/32/480194232.db2.gz ZWNQIEJJUODCBP-UHFFFAOYSA-N 0 1 332.360 2.501 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)CC23CCCCC3)c1 ZINC000610577565 480340835 /nfs/dbraw/zinc/34/08/35/480340835.db2.gz NWJWLDDQNBMRAZ-UHFFFAOYSA-N 0 1 331.416 2.994 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H](C4CCOCC4)C3)nc2c1 ZINC000618288447 480608968 /nfs/dbraw/zinc/60/89/68/480608968.db2.gz RTUPOTDOZVHWIZ-ZDUSSCGKSA-N 0 1 330.388 2.720 20 5 EFBDMN COc1cc(CN(C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000184329490 533783864 /nfs/dbraw/zinc/78/38/64/533783864.db2.gz WLHPJGWYTOQSNK-NHYWBVRUSA-N 0 1 326.368 2.725 20 5 EFBDMN C[C@@H]1SCCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000174868246 534220980 /nfs/dbraw/zinc/22/09/80/534220980.db2.gz VRGZIQKZCXORFZ-XJKSGUPXSA-N 0 1 332.429 2.970 20 5 EFBDMN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1cccc(F)c1)C1CC1 ZINC000159762289 534320123 /nfs/dbraw/zinc/32/01/23/534320123.db2.gz QHVYMMZALSGWDR-UHFFFAOYSA-N 0 1 331.347 2.560 20 5 EFBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCSC[C@H]1c1ccccc1 ZINC000159829486 534321415 /nfs/dbraw/zinc/32/14/15/534321415.db2.gz HNVDVARVUQXNTD-INIZCTEOSA-N 0 1 345.424 2.547 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)n1 ZINC000179597085 534325695 /nfs/dbraw/zinc/32/56/95/534325695.db2.gz ZKHJIUOVPRIWEO-LBPRGKRZSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000179597085 534325700 /nfs/dbraw/zinc/32/57/00/534325700.db2.gz ZKHJIUOVPRIWEO-LBPRGKRZSA-N 0 1 328.376 2.678 20 5 EFBDMN CCOC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072977233 520115618 /nfs/dbraw/zinc/11/56/18/520115618.db2.gz JKLAJVNXAUOPTM-UONOGXRCSA-N 0 1 335.404 2.670 20 5 EFBDMN CC[N@H+](C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000089540946 520270390 /nfs/dbraw/zinc/27/03/90/520270390.db2.gz SRFHYYFIRKZOSQ-MRXNPFEDSA-N 0 1 329.356 2.932 20 5 EFBDMN CC[N@@H+](C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000089540946 520270400 /nfs/dbraw/zinc/27/04/00/520270400.db2.gz SRFHYYFIRKZOSQ-MRXNPFEDSA-N 0 1 329.356 2.932 20 5 EFBDMN CCC(CC)N(CCOC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077377704 521558004 /nfs/dbraw/zinc/55/80/04/521558004.db2.gz GTJZVWKDCKNXQY-UHFFFAOYSA-N 0 1 349.431 2.621 20 5 EFBDMN COC(=O)c1cc(NC(=O)c2cccc3cn[nH]c32)cc([N+](=O)[O-])c1 ZINC000118723745 521892249 /nfs/dbraw/zinc/89/22/49/521892249.db2.gz RPPLCXLRXUYBIV-UHFFFAOYSA-N 0 1 340.295 2.510 20 5 EFBDMN CC[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000120218663 522645872 /nfs/dbraw/zinc/64/58/72/522645872.db2.gz XPVQGYWCRMNICM-INIZCTEOSA-N 0 1 343.383 2.943 20 5 EFBDMN CC(=O)Nc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1C ZINC000356331072 534711485 /nfs/dbraw/zinc/71/14/85/534711485.db2.gz VDODFNNNJCHDHV-UHFFFAOYSA-N 0 1 329.312 2.820 20 5 EFBDMN COc1ccc(OCCN2CCSC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000177510616 524956605 /nfs/dbraw/zinc/95/66/05/524956605.db2.gz ANALXJMPAMOBKP-UHFFFAOYSA-N 0 1 326.418 2.810 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1 ZINC000181878374 525449228 /nfs/dbraw/zinc/44/92/28/525449228.db2.gz PRNLXLKPXQTNAG-UHFFFAOYSA-N 0 1 343.299 2.542 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](Cc2nccn2C)C1 ZINC000090004128 525457952 /nfs/dbraw/zinc/45/79/52/525457952.db2.gz PMKXEGROHPGJCC-AWEZNQCLSA-N 0 1 344.415 2.792 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cccnc1 ZINC000194719688 525468032 /nfs/dbraw/zinc/46/80/32/525468032.db2.gz FJBDAEGMMDQYMN-NEPJUHHUSA-N 0 1 344.371 2.676 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)N2CCN(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000176722258 525701181 /nfs/dbraw/zinc/70/11/81/525701181.db2.gz SBTOTQUMNXVFSM-OAHLLOKOSA-N 0 1 348.447 2.947 20 5 EFBDMN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000192608781 525851330 /nfs/dbraw/zinc/85/13/30/525851330.db2.gz OIELXAWLXOISLZ-CHWSQXEVSA-N 0 1 328.372 2.976 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CCC[C@H]1O ZINC000246179479 526186370 /nfs/dbraw/zinc/18/63/70/526186370.db2.gz DAQDRXDCTOWBAR-UXIGCNINSA-N 0 1 346.387 2.799 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CCC[C@H]1O ZINC000246179471 526187771 /nfs/dbraw/zinc/18/77/71/526187771.db2.gz DAQDRXDCTOWBAR-OSAQELSMSA-N 0 1 346.387 2.799 20 5 EFBDMN CC(C)(C)[C@H](CCO)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000181473785 526694344 /nfs/dbraw/zinc/69/43/44/526694344.db2.gz NRVLNTNQUSEGHV-ZDUSSCGKSA-N 0 1 334.376 2.532 20 5 EFBDMN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCN1Cc1ccccc1 ZINC000057174173 526759676 /nfs/dbraw/zinc/75/96/76/526759676.db2.gz ZSEXYNPQOUQVHG-GOSISDBHSA-N 0 1 339.395 2.876 20 5 EFBDMN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089540912 527131768 /nfs/dbraw/zinc/13/17/68/527131768.db2.gz ICJZIIWLOTZHIW-INIZCTEOSA-N 0 1 341.367 2.904 20 5 EFBDMN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000089540912 527131771 /nfs/dbraw/zinc/13/17/71/527131771.db2.gz ICJZIIWLOTZHIW-INIZCTEOSA-N 0 1 341.367 2.904 20 5 EFBDMN N[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000178117369 527380716 /nfs/dbraw/zinc/38/07/16/527380716.db2.gz BXYIZXVILYQNSU-KRWDZBQOSA-N 0 1 327.384 2.734 20 5 EFBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H](Oc3cccc(Cl)c3)C2)c1 ZINC000120160634 527413644 /nfs/dbraw/zinc/41/36/44/527413644.db2.gz AVHCGXRZWFDJKV-HNNXBMFYSA-N 0 1 336.779 2.598 20 5 EFBDMN CCN(CC)C(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245378 528047999 /nfs/dbraw/zinc/04/79/99/528047999.db2.gz DLQLHHCFANCELE-CQSZACIVSA-N 0 1 349.431 2.695 20 5 EFBDMN CCOc1ccc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1OCC ZINC000159919988 528593254 /nfs/dbraw/zinc/59/32/54/528593254.db2.gz OVKXPKQKQWSEHN-SNVBAGLBSA-N 0 1 348.359 2.606 20 5 EFBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000179413139 528595794 /nfs/dbraw/zinc/59/57/94/528595794.db2.gz MUEXEDRNIWUBNH-VXGBXAGGSA-N 0 1 337.420 2.947 20 5 EFBDMN CCOc1ccc([C@@H](C)NCc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000152716528 528596367 /nfs/dbraw/zinc/59/63/67/528596367.db2.gz VKZCNZJUYSVZJL-GFCCVEGCSA-N 0 1 343.383 2.943 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C2OCCO2)C1 ZINC000175169134 528612611 /nfs/dbraw/zinc/61/26/11/528612611.db2.gz IWCZTLTWIAVBBE-ZDUSSCGKSA-N 0 1 336.388 2.578 20 5 EFBDMN CCSCC[C@@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000174030156 529184359 /nfs/dbraw/zinc/18/43/59/529184359.db2.gz PRCNZRRSRMFSRE-LLVKDONJSA-N 0 1 325.434 2.657 20 5 EFBDMN CCS[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000178032653 529217855 /nfs/dbraw/zinc/21/78/55/529217855.db2.gz LTPNYDUSAKPGCZ-CHWSQXEVSA-N 0 1 334.401 2.875 20 5 EFBDMN CC[C@H]1C[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CCO1 ZINC000183646039 529324379 /nfs/dbraw/zinc/32/43/79/529324379.db2.gz BGCTXOWRWUEJIA-YPMHNXCESA-N 0 1 345.359 2.524 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263364781 535022861 /nfs/dbraw/zinc/02/28/61/535022861.db2.gz SVOGFYMOSWYJQS-OCCSQVGLSA-N 0 1 336.388 2.925 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(Cc2cccnc2)C(C)C)c1[N+](=O)[O-] ZINC000434226246 535321311 /nfs/dbraw/zinc/32/13/11/535321311.db2.gz QHZGFUQUKINSPG-UHFFFAOYSA-N 0 1 331.376 2.887 20 5 EFBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000343491694 535413548 /nfs/dbraw/zinc/41/35/48/535413548.db2.gz BCLDKGSXHXWSKT-CHWSQXEVSA-N 0 1 335.404 2.655 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2C[C@H](OC)C2(CC)CC)c1[N+](=O)[O-] ZINC000192778693 535997517 /nfs/dbraw/zinc/99/75/17/535997517.db2.gz YUKIDHORZRLRKP-NEPJUHHUSA-N 0 1 338.408 2.546 20 5 EFBDMN CN(C)c1nc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC000344101367 536157354 /nfs/dbraw/zinc/15/73/54/536157354.db2.gz HPECMGIGHPVUKG-UHFFFAOYSA-N 0 1 339.355 2.718 20 5 EFBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCC[C@H]1O ZINC000245850669 536485671 /nfs/dbraw/zinc/48/56/71/536485671.db2.gz JFSNJRFXLGMCCI-CZUORRHYSA-N 0 1 331.372 2.843 20 5 EFBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1c([N+](=O)[O-])ncn1C ZINC000351144412 536565321 /nfs/dbraw/zinc/56/53/21/536565321.db2.gz MJBSDHAGZFYCRS-IINYFYTJSA-N 0 1 338.795 2.848 20 5 EFBDMN COC(=O)[C@@]12CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC000342136699 536586655 /nfs/dbraw/zinc/58/66/55/536586655.db2.gz RFUIILDXEBCTJU-SJCJKPOMSA-N 0 1 336.363 2.899 20 5 EFBDMN COC(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1C ZINC000356271134 536779312 /nfs/dbraw/zinc/77/93/12/536779312.db2.gz JQVMNYSWFYJXDQ-UHFFFAOYSA-N 0 1 330.296 2.648 20 5 EFBDMN CCN1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000754079373 575386633 /nfs/dbraw/zinc/38/66/33/575386633.db2.gz GTVNCALETNZWGX-JTQLQIEISA-N 0 1 341.795 2.565 20 5 EFBDMN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000754250164 575410757 /nfs/dbraw/zinc/41/07/57/575410757.db2.gz CXAILZNDTCUMGC-BZNIZROVSA-N 0 1 326.356 2.855 20 5 EFBDMN CCN1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000754381625 575427491 /nfs/dbraw/zinc/42/74/91/575427491.db2.gz HAHWWHBRVGSEAM-JTQLQIEISA-N 0 1 326.784 2.806 20 5 EFBDMN C[C@@H](N[C@@H](CCO)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000754381196 575427693 /nfs/dbraw/zinc/42/76/93/575427693.db2.gz BKPGLNFDPIQWSC-YPMHNXCESA-N 0 1 349.412 2.697 20 5 EFBDMN O=C1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCN1c1c(F)cccc1F ZINC000755984140 575666404 /nfs/dbraw/zinc/66/64/04/575666404.db2.gz JRQADQNCVRYPCV-OAHLLOKOSA-N 0 1 347.321 2.768 20 5 EFBDMN CCCCCCN(C)CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000759789494 575934928 /nfs/dbraw/zinc/93/49/28/575934928.db2.gz XTIJAWOTPSIXRR-UHFFFAOYSA-N 0 1 333.392 2.922 20 5 EFBDMN O=C1N(CN2CC[C@@H](C3CC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000763333329 576373108 /nfs/dbraw/zinc/37/31/08/576373108.db2.gz RWFQTODIIMCRES-CQSZACIVSA-N 0 1 330.388 2.526 20 5 EFBDMN CCc1cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n[nH]1 ZINC000764409329 576455516 /nfs/dbraw/zinc/45/55/16/576455516.db2.gz UVDPGEDDINNSGI-UHFFFAOYSA-N 0 1 343.387 2.755 20 5 EFBDMN COC(=O)C[C@H]1CCCCN1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764929794 576525084 /nfs/dbraw/zinc/52/50/84/576525084.db2.gz ZADOFDVVHNJSLM-CYBMUJFWSA-N 0 1 346.387 2.628 20 5 EFBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)OC[C@H]1CCCN1Cc1ccco1 ZINC000765971505 577094081 /nfs/dbraw/zinc/09/40/81/577094081.db2.gz KNLLJHFUXNESDZ-MRXNPFEDSA-N 0 1 344.367 2.938 20 5 EFBDMN Cc1ccc(CN2CCC(C(=O)NCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000768230792 577261918 /nfs/dbraw/zinc/26/19/18/577261918.db2.gz URSXLKHWBAZYFT-UHFFFAOYSA-N 0 1 333.432 2.887 20 5 EFBDMN CN(CCOC(=O)c1ccc([N+](=O)[O-])cc1N)Cc1ccc(F)cc1 ZINC000769032626 577325850 /nfs/dbraw/zinc/32/58/50/577325850.db2.gz AUVAWPIRVYMMCF-UHFFFAOYSA-N 0 1 347.346 2.605 20 5 EFBDMN CN(CCOC(=O)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769050924 577328221 /nfs/dbraw/zinc/32/82/21/577328221.db2.gz VZGFGKQWXOPAAM-UHFFFAOYSA-N 0 1 347.346 2.605 20 5 EFBDMN O=C(N=c1ccccn1Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769463684 577364046 /nfs/dbraw/zinc/36/40/46/577364046.db2.gz BCVZJILVQUSNQF-UHFFFAOYSA-N 0 1 349.346 2.891 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)n[nH]1 ZINC000770013326 577397758 /nfs/dbraw/zinc/39/77/58/577397758.db2.gz JGICZTIAXBAHDY-SSDOTTSWSA-N 0 1 338.755 2.811 20 5 EFBDMN CCCCCCN(C)Cc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000771464551 581214595 /nfs/dbraw/zinc/21/45/95/581214595.db2.gz SHSQSTQKJNVDIR-UHFFFAOYSA-N 0 1 336.396 2.699 20 5 EFBDMN O=C(OCc1cn(-c2ccccc2Cl)nn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000772679072 581355042 /nfs/dbraw/zinc/35/50/42/581355042.db2.gz OKDFTMPHWFAPBU-UHFFFAOYSA-N 0 1 347.718 2.514 20 5 EFBDMN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000773241110 581408944 /nfs/dbraw/zinc/40/89/44/581408944.db2.gz OGIUYGNUBNQACE-KRWDZBQOSA-N 0 1 344.367 2.805 20 5 EFBDMN CCc1cc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])n[nH]1 ZINC000774529000 581493412 /nfs/dbraw/zinc/49/34/12/581493412.db2.gz IKSBFYKYBWSEEJ-UHFFFAOYSA-N 0 1 331.376 2.631 20 5 EFBDMN CN(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@@H]1CCSC1 ZINC000774640881 581496112 /nfs/dbraw/zinc/49/61/12/581496112.db2.gz WHLVIKWAOBPJBN-SNVBAGLBSA-N 0 1 326.809 2.993 20 5 EFBDMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000821516022 597459587 /nfs/dbraw/zinc/45/95/87/597459587.db2.gz MVBSSKIHTBJKHD-LBPRGKRZSA-N 0 1 345.355 2.937 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000736729203 601032027 /nfs/dbraw/zinc/03/20/27/601032027.db2.gz XUALNFVKGURLJC-PWSUYJOCSA-N 0 1 346.343 2.502 20 5 EFBDMN O=C([O-])CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000833233099 601115196 /nfs/dbraw/zinc/11/51/96/601115196.db2.gz AEFQYWMMOQFXOD-UHFFFAOYSA-N 0 1 342.779 2.704 20 5 EFBDMN C[C@@H]1C[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000828184094 601562187 /nfs/dbraw/zinc/56/21/87/601562187.db2.gz NSCZJSUAHCVKDD-OMCWZWAOSA-N 0 1 331.372 2.730 20 5 EFBDMN C[C@@H]1C[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000828184092 601562334 /nfs/dbraw/zinc/56/23/34/601562334.db2.gz NSCZJSUAHCVKDD-JKEYLAGBSA-N 0 1 331.372 2.730 20 5 EFBDMN O=C([O-])c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000833313715 601936905 /nfs/dbraw/zinc/93/69/05/601936905.db2.gz HSSUKCZQOIYIQW-UHFFFAOYSA-N 0 1 347.396 2.677 20 5 EFBDMN O=C([O-])c1cc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000833307896 602252546 /nfs/dbraw/zinc/25/25/46/602252546.db2.gz SHFYBNCJUXZRBO-SECBINFHSA-N 0 1 339.779 2.843 20 5 EFBDMN CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830927688 604267357 /nfs/dbraw/zinc/26/73/57/604267357.db2.gz BBDYULBITBSDDG-SNVBAGLBSA-N 0 1 341.795 2.724 20 5 EFBDMN Cc1[nH+]ccn1CCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000833010059 604269193 /nfs/dbraw/zinc/26/91/93/604269193.db2.gz BTLLYOZHROLNEA-UHFFFAOYSA-N 0 1 338.751 2.954 20 5 EFBDMN CC[N@@H+](C)C[C@@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829612993 604269501 /nfs/dbraw/zinc/26/95/01/604269501.db2.gz FZNIXNDDGSVKEV-JTQLQIEISA-N 0 1 341.795 2.724 20 5 EFBDMN CC[N@@H+]1C[C@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000829754763 604272537 /nfs/dbraw/zinc/27/25/37/604272537.db2.gz XGXGPTSUEWWIEH-UFBFGSQYSA-N 0 1 327.768 2.699 20 5 EFBDMN O=C([O-])CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000833233124 604789133 /nfs/dbraw/zinc/78/91/33/604789133.db2.gz BHUNPIBIFAEISH-LBPRGKRZSA-N 0 1 342.779 2.704 20 5 EFBDMN C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000833525864 605863723 /nfs/dbraw/zinc/86/37/23/605863723.db2.gz RTMWHBHSHMHWIC-FUEXJSSKSA-N 0 1 331.372 2.755 20 5 EFBDMN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000822229220 606485240 /nfs/dbraw/zinc/48/52/40/606485240.db2.gz PCVSNWOHFIUNMQ-SNVBAGLBSA-N 0 1 344.400 2.996 20 5 EFBDMN COc1cc(CNCC2SCCS2)c([N+](=O)[O-])cc1OC ZINC000850401517 1250466876 /nfs/dbraw/zinc/46/68/76/1250466876.db2.gz HKKJOCODCLCLTI-UHFFFAOYSA-N 0 1 330.431 2.508 20 5 EFBDMN O=C1NCCCN1c1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000850413545 1250473544 /nfs/dbraw/zinc/47/35/44/1250473544.db2.gz LTDYLNFYYMJSKY-UHFFFAOYSA-N 0 1 340.383 2.804 20 5 EFBDMN Cc1n[nH]c(C(=O)NCC=CCNc2ccc([N+](=O)[O-])c(C)c2)c1C ZINC001107118754 1253758975 /nfs/dbraw/zinc/75/89/75/1253758975.db2.gz GYFZMBJTLXWWAI-PLNGDYQASA-N 0 1 343.387 2.641 20 5 EFBDMN CC(C)[C@H](N)c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000843151680 1262927853 /nfs/dbraw/zinc/92/78/53/1262927853.db2.gz AUNGQJLPQZFIPS-ZDUSSCGKSA-N 0 1 329.316 2.554 20 5 EFBDMN CC(C)[C@@H](N)c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000843153387 1263099096 /nfs/dbraw/zinc/09/90/96/1263099096.db2.gz ITXOSUUXQLGEBR-CYBMUJFWSA-N 0 1 340.767 2.909 20 5 EFBDMN CC(C)[C@H](N)c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000843153389 1263100582 /nfs/dbraw/zinc/10/05/82/1263100582.db2.gz ITXOSUUXQLGEBR-ZDUSSCGKSA-N 0 1 340.767 2.909 20 5 EFBDMN COc1ccc(CNCc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000730107132 1264187027 /nfs/dbraw/zinc/18/70/27/1264187027.db2.gz XWLCWBKHPJEQSL-UHFFFAOYSA-N 0 1 343.383 2.595 20 5 EFBDMN O=C(NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001003475290 1264798505 /nfs/dbraw/zinc/79/85/05/1264798505.db2.gz OVRMZOPTBSIXMN-ZSHCYNCHSA-N 0 1 343.427 2.722 20 5 EFBDMN O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C1CC2(CC2)C1 ZINC001003600114 1264946821 /nfs/dbraw/zinc/94/68/21/1264946821.db2.gz VKYZGMMVXPTXLL-UHFFFAOYSA-N 0 1 343.427 2.866 20 5 EFBDMN CN(C(=O)C1CCC1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005035668 1268417181 /nfs/dbraw/zinc/41/71/81/1268417181.db2.gz XOQZLUSSFLFBGV-UHFFFAOYSA-N 0 1 331.416 2.818 20 5 EFBDMN CN(C(=O)C(C)(C)F)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005029972 1268428838 /nfs/dbraw/zinc/42/88/38/1268428838.db2.gz BFTGAKYHZUYGGI-UHFFFAOYSA-N 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EFBDMN CSC[C@H]1CCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131008984 1293467644 /nfs/dbraw/zinc/46/76/44/1293467644.db2.gz UCDCQFRTUGRRRD-CQSZACIVSA-N 0 1 333.417 2.638 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(O)c1F ZINC000131507106 1293543442 /nfs/dbraw/zinc/54/34/42/1293543442.db2.gz CWFRDJOENBMBEK-UHFFFAOYSA-N 0 1 346.723 2.894 20 5 EFBDMN CC(C)C[C@H]1CN(C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000886596031 1295042099 /nfs/dbraw/zinc/04/20/99/1295042099.db2.gz VFNVQZRGSQWCQA-ZDUSSCGKSA-N 0 1 344.415 2.878 20 5 EFBDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000886600091 1295046410 /nfs/dbraw/zinc/04/64/10/1295046410.db2.gz MNYZOJNKGBWNLC-FGTMMUONSA-N 0 1 345.443 2.887 20 5 EFBDMN COc1cc2c(cc1O)CCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000887105001 1295280672 /nfs/dbraw/zinc/28/06/72/1295280672.db2.gz CFVQNZRWCWYRQQ-UHFFFAOYSA-N 0 1 328.368 2.910 20 5 EFBDMN C/C(=C\C(=O)NCCCN(C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001234541063 1313151158 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CC[C@H](C)[C@@H](C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001339066048 1331781944 /nfs/dbraw/zinc/78/19/44/1331781944.db2.gz OABPJEYPXODFAW-UONOGXRCSA-N 0 1 348.447 2.967 20 5 EFBDMN C/C=C(\CC)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001339065362 1331782082 /nfs/dbraw/zinc/78/20/82/1331782082.db2.gz HXXJFDRQNATFJU-YIXHJXPBSA-N 0 1 332.404 2.641 20 5 EFBDMN CC/C(C)=C\C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001339065359 1331782090 /nfs/dbraw/zinc/78/20/90/1331782090.db2.gz HXCFJVNSRDDTON-QBFSEMIESA-N 0 1 332.404 2.641 20 5 EFBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC001339949666 1332119051 /nfs/dbraw/zinc/11/90/51/1332119051.db2.gz GMWJKQUUYLEMOP-UHFFFAOYSA-N 0 1 329.238 2.631 20 5 EFBDMN C[C@@H](C(=O)OCc1ccc2[nH]nnc2c1)c1ccc([N+](=O)[O-])cc1F ZINC001341806254 1332285847 /nfs/dbraw/zinc/28/58/47/1332285847.db2.gz ZZICGYCSCZNNPX-SECBINFHSA-N 0 1 344.302 2.852 20 5 EFBDMN C[C@@H](C(=O)OCc1ccc2nn[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC001341806254 1332285848 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O=C(NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)C1CC=CC1 ZINC001002497952 1334296108 /nfs/dbraw/zinc/29/61/08/1334296108.db2.gz CXBXIKOFPCXJQZ-UHFFFAOYSA-N 0 1 329.400 2.642 20 5 EFBDMN Cc1[nH]ccc1C(=O)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002567260 1334409383 /nfs/dbraw/zinc/40/93/83/1334409383.db2.gz FEZMEGUITFVCDG-UHFFFAOYSA-N 0 1 342.399 2.626 20 5 EFBDMN O=C(C=C1CCC1)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002582183 1334433652 /nfs/dbraw/zinc/43/36/52/1334433652.db2.gz STFPZTGTVDEFLK-UHFFFAOYSA-N 0 1 329.400 2.786 20 5 EFBDMN O=C(C=C1CCC1)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002587293 1334442274 /nfs/dbraw/zinc/44/22/74/1334442274.db2.gz FVEKWYBOAJRNBJ-UHFFFAOYSA-N 0 1 329.400 2.786 20 5 EFBDMN O=[N+]([O-])c1cc(F)c(Cl)cc1NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000848748662 1334872502 /nfs/dbraw/zinc/87/25/02/1334872502.db2.gz QJZUFXUPWQLBRA-LLVKDONJSA-N 0 1 341.730 2.969 20 5 EFBDMN C[C@@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001356510016 1335045871 /nfs/dbraw/zinc/04/58/71/1335045871.db2.gz AHBFRZBUSUDFBG-YGRLFVJLSA-N 0 1 346.353 2.660 20 5 EFBDMN C[C@@H](NC(=O)[C@@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001358142746 1335363258 /nfs/dbraw/zinc/36/32/58/1335363258.db2.gz NMDDDGVQMJRRET-SJKOYZFVSA-N 0 1 325.368 2.659 20 5 EFBDMN Cc1csc(CCCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000102380501 1416739760 /nfs/dbraw/zinc/73/97/60/1416739760.db2.gz VFGKXGBARUXDAW-UHFFFAOYSA-N 0 1 345.384 2.599 20 5 EFBDMN C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627517 1427301967 /nfs/dbraw/zinc/30/19/67/1427301967.db2.gz YCMZZIUBDFICDN-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000820428610 1441835663 /nfs/dbraw/zinc/83/56/63/1441835663.db2.gz YIIJFFCOXSUISB-SNVBAGLBSA-N 0 1 342.334 2.765 20 5 EFBDMN Cc1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000822238575 1443448645 /nfs/dbraw/zinc/44/86/45/1443448645.db2.gz MNUAEIOALBXYON-UHFFFAOYSA-N 0 1 342.334 2.512 20 5 EFBDMN O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000738368012 1443850099 /nfs/dbraw/zinc/85/00/99/1443850099.db2.gz BQHPBCTWVJOHEE-YWEYNIOJSA-N 0 1 336.355 2.578 20 5 EFBDMN O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826498375 1447326209 /nfs/dbraw/zinc/32/62/09/1447326209.db2.gz SANMHQXUILYVEB-UHFFFAOYSA-N 0 1 344.762 2.718 20 5 EFBDMN Cc1cc(C(=O)N[C@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C2)c(C)o1 ZINC001021824866 714540000 /nfs/dbraw/zinc/54/00/00/714540000.db2.gz TUONJGKMBSTJGV-BETUJISGSA-N 0 1 349.412 2.917 20 5 EFBDMN Cc1coc(C)c1C(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001022037468 714679287 /nfs/dbraw/zinc/67/92/87/714679287.db2.gz NZMJBXMPHHOUCP-BETUJISGSA-N 0 1 349.412 2.917 20 5 EFBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)C12CCC(CC1)C2 ZINC001022288363 714968727 /nfs/dbraw/zinc/96/87/27/714968727.db2.gz CDJVPBPFCIPGBL-DFUFTTGPSA-N 0 1 349.456 2.973 20 5 EFBDMN CCN(CCc1ccccn1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891786414 715018155 /nfs/dbraw/zinc/01/81/55/715018155.db2.gz OFNHHMUZOXKXEC-UHFFFAOYSA-N 0 1 331.372 2.769 20 5 EFBDMN CCC(C)(C)NC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000934042353 715180229 /nfs/dbraw/zinc/18/02/29/715180229.db2.gz STCBIHXENRGCTQ-UHFFFAOYSA-N 0 1 349.435 2.657 20 5 EFBDMN Cc1cocc1C(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001022550729 715206522 /nfs/dbraw/zinc/20/65/22/715206522.db2.gz HADAIQSVCBCZOD-TXEJJXNPSA-N 0 1 335.385 2.608 20 5 EFBDMN Cc1coc(C(=O)N[C@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C2)c1 ZINC001022569637 715219613 /nfs/dbraw/zinc/21/96/13/715219613.db2.gz GYACGODJUZAHEZ-TXEJJXNPSA-N 0 1 335.385 2.608 20 5 EFBDMN COc1c(O)ccc(CN2CCCC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000892058832 715237452 /nfs/dbraw/zinc/23/74/52/715237452.db2.gz JQXJRVOMBJZIFQ-UHFFFAOYSA-N 0 1 336.388 2.702 20 5 EFBDMN CC[C@H]1CN(CC)CCN1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925244946 724472788 /nfs/dbraw/zinc/47/27/88/724472788.db2.gz WMKRQDDMCDCBOY-HIFRSBDPSA-N 0 1 334.420 2.782 20 5 EFBDMN CCC[C@@H](NCCS(=O)(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000840880692 718148105 /nfs/dbraw/zinc/14/81/05/718148105.db2.gz FDPMWKAEFGRGHO-OAHLLOKOSA-N 0 1 326.418 2.603 20 5 EFBDMN CC(C)C(=O)N1CC2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981628578 718902281 /nfs/dbraw/zinc/90/22/81/718902281.db2.gz AVUCZFAAYXLAHI-UHFFFAOYSA-N 0 1 331.416 2.675 20 5 EFBDMN C[C@H]1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC001164634161 719177739 /nfs/dbraw/zinc/17/77/39/719177739.db2.gz ILDFHUXHOQHSOH-UWVGGRQHSA-N 0 1 335.795 2.720 20 5 EFBDMN Cc1ccc(-c2ccc(N3C[C@@H](C)N(C)C[C@@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164634118 719223173 /nfs/dbraw/zinc/22/31/73/719223173.db2.gz FTSNKOJEEPFOIO-KGLIPLIRSA-N 0 1 341.415 2.889 20 5 EFBDMN O=C(N[C@@H]1[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1CCCCC1 ZINC001025655438 719290030 /nfs/dbraw/zinc/29/00/30/719290030.db2.gz GOMVJDNAPLNLMN-PIIMJCKOSA-N 0 1 343.427 2.722 20 5 EFBDMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CCCCC1 ZINC001025655495 719290085 /nfs/dbraw/zinc/29/00/85/719290085.db2.gz WQRJNXHOHJHINT-PIIMJCKOSA-N 0 1 343.427 2.722 20 5 EFBDMN CC(C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)=C1CCC1 ZINC001025774027 719314774 /nfs/dbraw/zinc/31/47/74/719314774.db2.gz IPZSNXTXFHCDRO-VQFNDLOPSA-N 0 1 341.411 2.642 20 5 EFBDMN CC(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21)=C1CCC1 ZINC001025774027 719314777 /nfs/dbraw/zinc/31/47/77/719314777.db2.gz IPZSNXTXFHCDRO-VQFNDLOPSA-N 0 1 341.411 2.642 20 5 EFBDMN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893001968 719429055 /nfs/dbraw/zinc/42/90/55/719429055.db2.gz RCDITIHPVCCVSS-CHWSQXEVSA-N 0 1 346.836 2.694 20 5 EFBDMN Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000021012477 719483446 /nfs/dbraw/zinc/48/34/46/719483446.db2.gz LDBOBIFQLUHVCU-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN COc1c(O)ccc(CNCc2ccc3c(c2)COC3)c1[N+](=O)[O-] ZINC000893146646 719731969 /nfs/dbraw/zinc/73/19/69/719731969.db2.gz NEORDPCZWMUZJY-UHFFFAOYSA-N 0 1 330.340 2.629 20 5 EFBDMN Cc1ccc(-c2nnc([C@H](C)OC(=O)[C@@H]3CC3[N+](=O)[O-])o2)cc1C ZINC000840670601 721863666 /nfs/dbraw/zinc/86/36/66/721863666.db2.gz JFDZFOZYSFWSKN-CYZMBNFOSA-N 0 1 331.328 2.623 20 5 EFBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3cnc4n3CCOC4)C2)cc1 ZINC000894718815 722827526 /nfs/dbraw/zinc/82/75/26/722827526.db2.gz KOWNRNHFSVZIHW-OAHLLOKOSA-N 0 1 342.399 2.701 20 5 EFBDMN Cc1nc([C@@H](C)NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000894777771 722844255 /nfs/dbraw/zinc/84/42/55/722844255.db2.gz LIAKQNLQIYWHOO-SSDOTTSWSA-N 0 1 329.282 2.891 20 5 EFBDMN COc1c(O)ccc(CN[C@@H]2Cc3ccccc3[C@@H]2OC)c1[N+](=O)[O-] ZINC000894893441 723010735 /nfs/dbraw/zinc/01/07/35/723010735.db2.gz TYAUSUABKAARQY-PBHICJAKSA-N 0 1 344.367 2.711 20 5 EFBDMN Cc1ncc2n1C[C@@H](c1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000895952598 723069670 /nfs/dbraw/zinc/06/96/70/723069670.db2.gz HLYPNLNATMLHAK-LBPRGKRZSA-N 0 1 325.328 2.880 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCS[C@]2(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000925444985 728806374 /nfs/dbraw/zinc/80/63/74/728806374.db2.gz BAIGPEFNAJEMSV-MRXNPFEDSA-N 0 1 346.412 2.774 20 5 EFBDMN C[C@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@H]1CN(C)CCN1C ZINC000895246530 723940942 /nfs/dbraw/zinc/94/09/42/723940942.db2.gz DBYJDGWJPGTRQQ-TVQRCGJNSA-N 0 1 347.246 2.948 20 5 EFBDMN C[C@@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@@H]1CN(C)CCN1C ZINC000895246528 723940972 /nfs/dbraw/zinc/94/09/72/723940972.db2.gz DBYJDGWJPGTRQQ-RNCFNFMXSA-N 0 1 347.246 2.948 20 5 EFBDMN CN(Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)C2CCC2)CC1 ZINC000985198201 723962497 /nfs/dbraw/zinc/96/24/97/723962497.db2.gz HKGDFDRJDJCAJC-UHFFFAOYSA-N 0 1 337.445 2.879 20 5 EFBDMN CC(C)(C)N1CC[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000897063600 723976311 /nfs/dbraw/zinc/97/63/11/723976311.db2.gz DPOCWAFLCDHIKS-INIZCTEOSA-N 0 1 331.416 2.959 20 5 EFBDMN C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)CC2CC2)CC1 ZINC000985207011 723988159 /nfs/dbraw/zinc/98/81/59/723988159.db2.gz QVXCTRVDPMCKRO-UHFFFAOYSA-N 0 1 337.445 2.879 20 5 EFBDMN CN(Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)CC2CC2)CC1 ZINC000985207011 723988163 /nfs/dbraw/zinc/98/81/63/723988163.db2.gz QVXCTRVDPMCKRO-UHFFFAOYSA-N 0 1 337.445 2.879 20 5 EFBDMN CCO/C=C/[C@@](O)(CNCc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000895707719 724266912 /nfs/dbraw/zinc/26/69/12/724266912.db2.gz MPNYELFYVFEUOG-PSKZRQQASA-N 0 1 348.321 2.836 20 5 EFBDMN O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])[nH]1 ZINC000729208372 725537353 /nfs/dbraw/zinc/53/73/53/725537353.db2.gz HIDZKDGRPCVNGA-UHFFFAOYSA-N 0 1 348.702 2.983 20 5 EFBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732562182 727159613 /nfs/dbraw/zinc/15/96/13/727159613.db2.gz YIRDIQRHAHAJTH-ZETCQYMHSA-N 0 1 333.735 2.944 20 5 EFBDMN CNc1ccc(C(=O)N2CCN(C)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000908576348 727220097 /nfs/dbraw/zinc/22/00/97/727220097.db2.gz IOBAKVLVLGAVSJ-UHFFFAOYSA-N 0 1 346.431 2.727 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000909261710 727354307 /nfs/dbraw/zinc/35/43/07/727354307.db2.gz LQMILRGRCPGANQ-SNVBAGLBSA-N 0 1 343.786 2.944 20 5 EFBDMN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000929922709 727668229 /nfs/dbraw/zinc/66/82/29/727668229.db2.gz KJGJWYNERGRLRR-KGLIPLIRSA-N 0 1 327.425 2.517 20 5 EFBDMN O=C(CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000916570750 727697311 /nfs/dbraw/zinc/69/73/11/727697311.db2.gz RSSJLGXZBSJFJS-OAHLLOKOSA-N 0 1 349.774 2.510 20 5 EFBDMN COc1cc(-c2nc3cc([N+](=O)[O-])ccc3n2C)cc([N+](=O)[O-])c1O ZINC000916854099 727739521 /nfs/dbraw/zinc/73/95/21/727739521.db2.gz BCRFBOCMTSHYAT-UHFFFAOYSA-N 0 1 344.283 2.771 20 5 EFBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000173458204 728625852 /nfs/dbraw/zinc/62/58/52/728625852.db2.gz WDRXWXCBCBHQFO-LLVKDONJSA-N 0 1 344.327 2.792 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000063535266 728630419 /nfs/dbraw/zinc/63/04/19/728630419.db2.gz AZPRHABPHBKSSZ-INIZCTEOSA-N 0 1 349.337 2.906 20 5 EFBDMN Cc1nc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000179624369 729598799 /nfs/dbraw/zinc/59/87/99/729598799.db2.gz GFMBSAPUJNAPKS-UHFFFAOYSA-N 0 1 331.350 2.608 20 5 EFBDMN O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000179624388 729598966 /nfs/dbraw/zinc/59/89/66/729598966.db2.gz UAEWSFNIVCPBPK-UHFFFAOYSA-N 0 1 332.259 2.813 20 5 EFBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001589605870 949264183 /nfs/dbraw/zinc/26/41/83/949264183.db2.gz YAONDGODZKASOX-KRWDZBQOSA-N 0 1 336.388 2.941 20 5 EFBDMN O=C([O-])[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001594843489 954105182 /nfs/dbraw/zinc/10/51/82/954105182.db2.gz LZIVTHKEYMEEGZ-CQSZACIVSA-N 0 1 349.274 2.558 20 5 EFBDMN CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000707972084 954988866 /nfs/dbraw/zinc/98/88/66/954988866.db2.gz LQGGZFQHXOFGHU-MRVPVSSYSA-N 0 1 331.166 2.652 20 5 EFBDMN O=C([O-])[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923231031 957104270 /nfs/dbraw/zinc/10/42/70/957104270.db2.gz MRWKELYUNGZOJV-SECBINFHSA-N 0 1 343.177 2.654 20 5 EFBDMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923231031 957104275 /nfs/dbraw/zinc/10/42/75/957104275.db2.gz MRWKELYUNGZOJV-SECBINFHSA-N 0 1 343.177 2.654 20 5 EFBDMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923233054 957105018 /nfs/dbraw/zinc/10/50/18/957105018.db2.gz XZYXNIBJZCHDBP-LBPRGKRZSA-N 0 1 343.177 2.796 20 5 EFBDMN COc1cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c([N+](=O)[O-])cc1F ZINC001594056686 958043085 /nfs/dbraw/zinc/04/30/85/958043085.db2.gz URIYADYNWVHRAF-UHFFFAOYSA-N 0 1 328.340 2.675 20 5 EFBDMN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000091132732 958126298 /nfs/dbraw/zinc/12/62/98/958126298.db2.gz MYMOFRXWHHZRFV-LLVKDONJSA-N 0 1 330.793 2.640 20 5 EFBDMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000091132732 958126306 /nfs/dbraw/zinc/12/63/06/958126306.db2.gz MYMOFRXWHHZRFV-LLVKDONJSA-N 0 1 330.793 2.640 20 5 EFBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001573712744 959859863 /nfs/dbraw/zinc/85/98/63/959859863.db2.gz VIJDHGKYIRPWTC-YPMHNXCESA-N 0 1 345.355 2.935 20 5 EFBDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001591712337 975604511 /nfs/dbraw/zinc/60/45/11/975604511.db2.gz RATPAVFWHGKHBO-ZDUSSCGKSA-N 0 1 330.768 2.558 20 5 EFBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccn1 ZINC001592328613 977749150 /nfs/dbraw/zinc/74/91/50/977749150.db2.gz NHHJTOMYQJKHFM-INIZCTEOSA-N 0 1 333.319 2.609 20 5 EFBDMN CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844209755 979361543 /nfs/dbraw/zinc/36/15/43/979361543.db2.gz MXQHCYKANDDBRI-AWEZNQCLSA-N 0 1 335.404 2.533 20 5 EFBDMN CC[C@](C)(C(=O)[O-])[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000851706562 979572913 /nfs/dbraw/zinc/57/29/13/979572913.db2.gz DEPJCAULFKGXGM-NVXWUHKLSA-N 0 1 336.388 2.594 20 5 EFBDMN O=C([O-])c1csc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000872156616 980038548 /nfs/dbraw/zinc/03/85/48/980038548.db2.gz BGLGEPOJKRAGIH-UHFFFAOYSA-N 0 1 347.396 2.677 20 5 EFBDMN O=C([O-])[C@]1(F)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000901512769 980328642 /nfs/dbraw/zinc/32/86/42/980328642.db2.gz AFXDJZYBKDNQJF-INIZCTEOSA-N 0 1 334.303 2.853 20 5 EFBDMN O=C([O-])[C@]1(F)CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000901512769 980328648 /nfs/dbraw/zinc/32/86/48/980328648.db2.gz AFXDJZYBKDNQJF-INIZCTEOSA-N 0 1 334.303 2.853 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000901678853 980441609 /nfs/dbraw/zinc/44/16/09/980441609.db2.gz QNANTTJRABSHNY-SHRNQRGKSA-N 0 1 348.399 2.954 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]([C@H]2CCCO2)C1 ZINC000903942664 981065202 /nfs/dbraw/zinc/06/52/02/981065202.db2.gz FDMBLNZFBJFIQO-JHJVBQTASA-N 0 1 340.401 2.501 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]([C@H]2CCCO2)C1 ZINC000903942664 981065206 /nfs/dbraw/zinc/06/52/06/981065206.db2.gz FDMBLNZFBJFIQO-JHJVBQTASA-N 0 1 340.401 2.501 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C(=O)[O-] ZINC000923247426 982852876 /nfs/dbraw/zinc/85/28/76/982852876.db2.gz FHKHJGKQVVRCOZ-LDYMZIIASA-N 0 1 343.177 2.510 20 5 EFBDMN CC[N@H+]1CCC[C@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001120426188 983029524 /nfs/dbraw/zinc/02/95/24/983029524.db2.gz DSTGRWWPRGQART-IZPAUZPXSA-N 0 1 333.388 2.836 20 5 EFBDMN CC[N@H+](Cc1ccoc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001596377994 983890406 /nfs/dbraw/zinc/89/04/06/983890406.db2.gz IAQFDPSTQLIBHO-UHFFFAOYSA-N 0 1 334.328 2.673 20 5 EFBDMN CC[N@@H+](Cc1ccoc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001596377994 983890412 /nfs/dbraw/zinc/89/04/12/983890412.db2.gz IAQFDPSTQLIBHO-UHFFFAOYSA-N 0 1 334.328 2.673 20 5 EFBDMN CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C(=O)[O-] ZINC001596378670 983897709 /nfs/dbraw/zinc/89/77/09/983897709.db2.gz YZLYGBGLOJUKJI-UHFFFAOYSA-N 0 1 333.344 2.935 20 5 EFBDMN CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C(=O)[O-] ZINC001596378670 983897714 /nfs/dbraw/zinc/89/77/14/983897714.db2.gz YZLYGBGLOJUKJI-UHFFFAOYSA-N 0 1 333.344 2.935 20 5 EFBDMN C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1C(=O)[O-] ZINC001599929838 985291652 /nfs/dbraw/zinc/29/16/52/985291652.db2.gz BBIHAIKCGGVVDK-XHDPSFHLSA-N 0 1 345.355 2.792 20 5 EFBDMN C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C(=O)[O-])O1 ZINC001599866777 989279175 /nfs/dbraw/zinc/27/91/75/989279175.db2.gz SLNZCQYMPLUOLU-BZNIZROVSA-N 0 1 346.339 2.529 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C(=O)[O-])O1 ZINC001599866777 989279185 /nfs/dbraw/zinc/27/91/85/989279185.db2.gz SLNZCQYMPLUOLU-BZNIZROVSA-N 0 1 346.339 2.529 20 5 EFBDMN CC(C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nocc1C(=O)[O-] ZINC001590870909 990774060 /nfs/dbraw/zinc/77/40/60/990774060.db2.gz SDMJWSKZBHJCBW-FNORWQNLSA-N 0 1 331.328 2.819 20 5 EFBDMN CN(CCCC[NH+]1CCCCC1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598476636 992088671 /nfs/dbraw/zinc/08/86/71/992088671.db2.gz LBKFIMJAYFRDIT-UHFFFAOYSA-N 0 1 349.431 2.991 20 5 EFBDMN C[C@]([NH2+]Cc1cccc(Cl)n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304508 994748341 /nfs/dbraw/zinc/74/83/41/994748341.db2.gz MXXDIDOJBDOMQG-OAHLLOKOSA-N 0 1 335.747 2.733 20 5 EFBDMN C[C@@H](c1ccc(C(=O)[O-])o1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001593690531 996135882 /nfs/dbraw/zinc/13/58/82/996135882.db2.gz SIFHUQPXYKREQQ-LBPRGKRZSA-N 0 1 345.355 2.769 20 5 EFBDMN C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593717906 996237527 /nfs/dbraw/zinc/23/75/27/996237527.db2.gz UFRUQNLFNYQUTA-GFCCVEGCSA-N 0 1 345.355 2.646 20 5 EFBDMN C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593717906 996237530 /nfs/dbraw/zinc/23/75/30/996237530.db2.gz UFRUQNLFNYQUTA-GFCCVEGCSA-N 0 1 345.355 2.646 20 5 EFBDMN C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593722700 996252804 /nfs/dbraw/zinc/25/28/04/996252804.db2.gz ABGMZHPCNBLOIJ-GFCCVEGCSA-N 0 1 345.355 2.646 20 5 EFBDMN C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593722700 996252808 /nfs/dbraw/zinc/25/28/08/996252808.db2.gz ABGMZHPCNBLOIJ-GFCCVEGCSA-N 0 1 345.355 2.646 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001593738544 996348982 /nfs/dbraw/zinc/34/89/82/996348982.db2.gz XISQKLRNDZEBAC-BREBYQMCSA-N 0 1 346.343 2.501 20 5 EFBDMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001599079491 996962656 /nfs/dbraw/zinc/96/26/56/996962656.db2.gz SJVNZGPZGXVZLQ-QGZVFWFLSA-N 0 1 346.339 2.530 20 5 EFBDMN COc1cc(C[N@@H+](CC(=O)[O-])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001599405992 997302866 /nfs/dbraw/zinc/30/28/66/997302866.db2.gz PAJYLNIFPWYVEJ-UHFFFAOYSA-N 0 1 330.340 2.690 20 5 EFBDMN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC[N@H+]1C ZINC001594267461 999037567 /nfs/dbraw/zinc/03/75/67/999037567.db2.gz YCIRPBWDCWWEQK-RKDXNWHRSA-N 0 1 327.768 2.841 20 5 EFBDMN C[C@H]1CCC[N@H+]1CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001594387070 999463824 /nfs/dbraw/zinc/46/38/24/999463824.db2.gz DDSTVRFFNUOSAM-VIFPVBQESA-N 0 1 327.768 2.843 20 5 EFBDMN COc1ccccc1C[C@@](C)(CO)NCc1c(F)cccc1[N+](=O)[O-] ZINC000931602728 1126136153 /nfs/dbraw/zinc/13/61/53/1126136153.db2.gz HNYGSUBWLRZZGL-SFHVURJKSA-N 0 1 348.374 2.826 20 5 EFBDMN CC(C)c1csc(CNC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)n1 ZINC001575868244 1088743590 /nfs/dbraw/zinc/74/35/90/1088743590.db2.gz QUYDUJHZMFVHDZ-INIZCTEOSA-N 0 1 348.428 2.665 20 5 EFBDMN CC(C)c1csc(CNC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)n1 ZINC001575868245 1088745152 /nfs/dbraw/zinc/74/51/52/1088745152.db2.gz QUYDUJHZMFVHDZ-MRXNPFEDSA-N 0 1 348.428 2.665 20 5 EFBDMN CCN(Cc1c[nH]nn1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001576544144 1089320504 /nfs/dbraw/zinc/32/05/04/1089320504.db2.gz OWRBZMLDJJYWLY-UHFFFAOYSA-N 0 1 329.282 2.754 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](N)Cc1ccc2cc[nH]c2c1 ZINC001579733761 1090673698 /nfs/dbraw/zinc/67/36/98/1090673698.db2.gz BLADHYVXTNQWIN-OAHLLOKOSA-N 0 1 338.367 2.893 20 5 EFBDMN O=C(CCCCc1cn[nH]n1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782316300 1092387921 /nfs/dbraw/zinc/38/79/21/1092387921.db2.gz QHROBPCSCZYVLB-UHFFFAOYSA-N 0 1 338.751 2.823 20 5 EFBDMN O=C(CN1CCCC1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001104395967 1092393545 /nfs/dbraw/zinc/39/35/45/1092393545.db2.gz LNCFUQKVUVDQNQ-UHFFFAOYSA-N 0 1 346.431 2.532 20 5 EFBDMN CC(C)(C)C1=CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001589097190 1093029273 /nfs/dbraw/zinc/02/92/73/1093029273.db2.gz WPDGSVQJYBSEKQ-UHFFFAOYSA-N 0 1 342.403 2.953 20 5 EFBDMN CCC(CC)[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])[NH+](C)C ZINC001590432720 1093419768 /nfs/dbraw/zinc/41/97/68/1093419768.db2.gz LPNYVJQELDUFNE-AWEZNQCLSA-N 0 1 347.423 2.553 20 5 EFBDMN CCC(CC)[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])[NH+](C)C ZINC001590432720 1093419772 /nfs/dbraw/zinc/41/97/72/1093419772.db2.gz LPNYVJQELDUFNE-AWEZNQCLSA-N 0 1 347.423 2.553 20 5 EFBDMN Cc1cccc([C@H](C)NCc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1 ZINC001592243818 1094044239 /nfs/dbraw/zinc/04/42/39/1094044239.db2.gz JPMNCRFESASFEK-LBPRGKRZSA-N 0 1 338.371 2.934 20 5 EFBDMN COC(=O)N1CCC[C@@H](Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000782947906 1094542854 /nfs/dbraw/zinc/54/28/54/1094542854.db2.gz OJQXZHYGUHFADT-GFCCVEGCSA-N 0 1 344.371 2.516 20 5 EFBDMN Cc1c[nH+]cn1C1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001600240021 1094910826 /nfs/dbraw/zinc/91/08/26/1094910826.db2.gz MIAOVVAWRHANEG-UHFFFAOYSA-N 0 1 344.371 2.948 20 5 EFBDMN Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600777662 1095326979 /nfs/dbraw/zinc/32/69/79/1095326979.db2.gz KYVYADDWCIWWAO-MRXNPFEDSA-N 0 1 344.371 2.672 20 5 EFBDMN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600777662 1095326997 /nfs/dbraw/zinc/32/69/97/1095326997.db2.gz KYVYADDWCIWWAO-MRXNPFEDSA-N 0 1 344.371 2.672 20 5 EFBDMN CN(C[C@H]1CCCOC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000107670139 1095613463 /nfs/dbraw/zinc/61/34/63/1095613463.db2.gz CXZBZUGCEIXYLP-CQSZACIVSA-N 0 1 330.388 2.774 20 5 EFBDMN O=C(NCc1ccc(COc2cccc(F)c2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000843658218 1095649006 /nfs/dbraw/zinc/64/90/06/1095649006.db2.gz CLWSKCURCOCIOL-IAGOWNOFSA-N 0 1 344.342 2.686 20 5 EFBDMN O=C([O-])[C@@H]1[C@@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1(F)F ZINC001601753534 1095889711 /nfs/dbraw/zinc/88/97/11/1095889711.db2.gz WFUFMGPIRQPMSM-YUTCNCBUSA-N 0 1 340.326 2.740 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC001602083127 1096050857 /nfs/dbraw/zinc/05/08/57/1096050857.db2.gz HVZXMRPGCIJFKY-UHFFFAOYSA-N 0 1 344.314 2.679 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC001602082943 1096051596 /nfs/dbraw/zinc/05/15/96/1096051596.db2.gz ZPWUELHMGJHKKV-UHFFFAOYSA-N 0 1 334.372 2.824 20 5 EFBDMN O=C([O-])COc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001602082737 1096051671 /nfs/dbraw/zinc/05/16/71/1096051671.db2.gz VSUJUFAMMVYTLP-OKILXGFUSA-N 0 1 334.372 2.680 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC001602405547 1096225320 /nfs/dbraw/zinc/22/53/20/1096225320.db2.gz WSQJTPLMZFCOLV-UHFFFAOYSA-N 0 1 339.351 2.977 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC001602405424 1096225779 /nfs/dbraw/zinc/22/57/79/1096225779.db2.gz SUGAFPNKIOFBLE-ZDUSSCGKSA-N 0 1 327.340 2.678 20 5 EFBDMN C/C(=C/C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)C(=O)[O-] ZINC001602963074 1096409665 /nfs/dbraw/zinc/40/96/65/1096409665.db2.gz SFBZJZPVUDEVTC-ZOSRMGITSA-N 0 1 348.399 2.731 20 5 EFBDMN C[C@](CC(=O)[O-])([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC001604091608 1096730558 /nfs/dbraw/zinc/73/05/58/1096730558.db2.gz TWLKDCPBBAXBJK-MRXNPFEDSA-N 0 1 333.319 2.609 20 5 EFBDMN Cc1ccc([C@@H](C)NCc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC001605828613 1097241417 /nfs/dbraw/zinc/24/14/17/1097241417.db2.gz VLDFQEFTLCHBDC-GFCCVEGCSA-N 0 1 338.371 2.934 20 5 EFBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1OCC(=O)[O-] ZINC001606141308 1097326678 /nfs/dbraw/zinc/32/66/78/1097326678.db2.gz RYCIMQGPCSWKIQ-UHFFFAOYSA-N 0 1 344.367 2.733 20 5 EFBDMN C[N@H+]1C[C@@H]2CC[C@@H](Nc3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])[C@H]2C1 ZINC001606209018 1097351936 /nfs/dbraw/zinc/35/19/36/1097351936.db2.gz OYSYHSSRMQGSET-LJUAHTATSA-N 0 1 339.779 2.699 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CSc1ccccc1-c1nn[nH]n1 ZINC001607082549 1097507897 /nfs/dbraw/zinc/50/78/97/1097507897.db2.gz PBBNQABQCRPIQL-UHFFFAOYSA-N 0 1 329.341 2.773 20 5 EFBDMN Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001607780962 1097731426 /nfs/dbraw/zinc/73/14/26/1097731426.db2.gz GXNLVKSSWCPTBJ-NWDGAFQWSA-N 0 1 346.305 2.988 20 5 EFBDMN Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001608129347 1097842136 /nfs/dbraw/zinc/84/21/36/1097842136.db2.gz LKMOOEQUQLNIHP-MRXNPFEDSA-N 0 1 329.356 2.969 20 5 EFBDMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001608129347 1097842141 /nfs/dbraw/zinc/84/21/41/1097842141.db2.gz LKMOOEQUQLNIHP-MRXNPFEDSA-N 0 1 329.356 2.969 20 5 EFBDMN O=C([O-])C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC001608746088 1098009087 /nfs/dbraw/zinc/00/90/87/1098009087.db2.gz MYKXCGCOPYZPAC-UHFFFAOYSA-N 0 1 330.340 2.560 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC001608758999 1098011295 /nfs/dbraw/zinc/01/12/95/1098011295.db2.gz QLZBLZGWWVZLGQ-CQSZACIVSA-N 0 1 334.372 2.823 20 5 EFBDMN O=C([O-])[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001608817241 1098030784 /nfs/dbraw/zinc/03/07/84/1098030784.db2.gz HOELSXKFELDWKE-MLGOLLRUSA-N 0 1 349.343 2.580 20 5 EFBDMN CC(C)CCCn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001609094275 1098141916 /nfs/dbraw/zinc/14/19/16/1098141916.db2.gz PVTSHOBGBDHVSR-UHFFFAOYSA-N 0 1 342.359 2.526 20 5 EFBDMN O=[N+]([O-])c1ccc(Oc2ccc(F)nc2-c2nn[nH]n2)c(Cl)c1 ZINC001609602298 1098395812 /nfs/dbraw/zinc/39/58/12/1098395812.db2.gz HXNFQRFYDFIJGE-UHFFFAOYSA-N 0 1 336.670 2.755 20 5 EFBDMN COc1cccc(C[N@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001610358085 1098638072 /nfs/dbraw/zinc/63/80/72/1098638072.db2.gz VWIAZKRLCBUROT-UHFFFAOYSA-N 0 1 330.340 2.934 20 5 EFBDMN COc1cccc(C[N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001610358085 1098638077 /nfs/dbraw/zinc/63/80/77/1098638077.db2.gz VWIAZKRLCBUROT-UHFFFAOYSA-N 0 1 330.340 2.934 20 5 EFBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001610730047 1098854290 /nfs/dbraw/zinc/85/42/90/1098854290.db2.gz RLDJNODDZDBENL-SFHVURJKSA-N 0 1 344.342 2.962 20 5 EFBDMN Cc1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000011658051 1099093806 /nfs/dbraw/zinc/09/38/06/1099093806.db2.gz SWDZDCQOCZAOOE-LURJTMIESA-N 0 1 341.780 2.794 20 5 EFBDMN Cc1n[nH]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000011658051 1099093814 /nfs/dbraw/zinc/09/38/14/1099093814.db2.gz SWDZDCQOCZAOOE-LURJTMIESA-N 0 1 341.780 2.794 20 5 EFBDMN Cc1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[nH]1 ZINC000011659174 1099095388 /nfs/dbraw/zinc/09/53/88/1099095388.db2.gz MDHPOANDGDHFNZ-LURJTMIESA-N 0 1 341.780 2.794 20 5 EFBDMN Cc1n[nH]c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000011659174 1099095401 /nfs/dbraw/zinc/09/54/01/1099095401.db2.gz MDHPOANDGDHFNZ-LURJTMIESA-N 0 1 341.780 2.794 20 5 EFBDMN CN1CC2(C1)CCCN(C(=O)c1cc3cccnc3c3ncccc13)C2 ZINC001271061414 1100432930 /nfs/dbraw/zinc/43/29/30/1100432930.db2.gz NORNTEDJULDJAG-UHFFFAOYSA-N 0 1 346.434 2.951 20 5 EFBDMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672731 1101215817 /nfs/dbraw/zinc/21/58/17/1101215817.db2.gz PDPJEYFFVYYOAG-MRVWCRGKSA-N 0 1 334.372 2.654 20 5 EFBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000905984382 1103792114 /nfs/dbraw/zinc/79/21/14/1103792114.db2.gz LYAKHNVSEDGPEU-UTUOFQBUSA-N 0 1 337.445 2.870 20 5 EFBDMN COc1c(O)ccc(CN[C@@H](c2ccncc2)C2CC2)c1[N+](=O)[O-] ZINC000898321304 1106308630 /nfs/dbraw/zinc/30/86/30/1106308630.db2.gz QDCXWZQWOGSCGF-OAHLLOKOSA-N 0 1 329.356 2.945 20 5 EFBDMN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000903998918 1107486611 /nfs/dbraw/zinc/48/66/11/1107486611.db2.gz DZAGBPWKSXOMHZ-UHFFFAOYSA-N 0 1 349.368 2.662 20 5 EFBDMN O=[N+]([O-])c1ccc2cnn(CN3CCC([C@H]4CCOC4)CC3)c2c1 ZINC000784010025 1107847742 /nfs/dbraw/zinc/84/77/42/1107847742.db2.gz ZJGBRZHBGUYPOA-HNNXBMFYSA-N 0 1 330.388 2.651 20 5 EFBDMN CCCOC[C@H](Cc1cccc(Br)c1)NCC[N+](=O)[O-] ZINC000905218814 1108528284 /nfs/dbraw/zinc/52/82/84/1108528284.db2.gz JGHYCIOROULXAT-AWEZNQCLSA-N 0 1 345.237 2.653 20 5 EFBDMN Cc1sccc1C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001126833714 1108700648 /nfs/dbraw/zinc/70/06/48/1108700648.db2.gz BDLXBXCATFDVOK-UHFFFAOYSA-N 0 1 325.415 2.546 20 5 EFBDMN CCn1ccnc1[C@@H](CCc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842317607 1109445560 /nfs/dbraw/zinc/44/55/60/1109445560.db2.gz VOGFJXHLIMNNSQ-BZUAXINKSA-N 0 1 343.383 2.785 20 5 EFBDMN Cc1c(NC(=O)C2CCC(N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000899936310 1109555728 /nfs/dbraw/zinc/55/57/28/1109555728.db2.gz RSIXXELUDANWJQ-UHFFFAOYSA-N 0 1 347.415 2.733 20 5 EFBDMN COc1nc(C)nc(N[C@H](c2ccccn2)C(F)(F)F)c1[N+](=O)[O-] ZINC001168478790 1111356304 /nfs/dbraw/zinc/35/63/04/1111356304.db2.gz QRRBRYPIMZJTSP-SNVBAGLBSA-N 0 1 343.265 2.812 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(F)ccc1F ZINC000055555090 214329328 /nfs/dbraw/zinc/32/93/28/214329328.db2.gz WECRMUHQMIQLRB-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCOC2(CCCCC2)C1 ZINC000174461974 231213581 /nfs/dbraw/zinc/21/35/81/231213581.db2.gz XZYMAHNXPSFZJF-UHFFFAOYSA-N 0 1 344.371 2.646 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000171663707 529464971 /nfs/dbraw/zinc/46/49/71/529464971.db2.gz SYFMCOCYVBJHRA-QMMMGPOBSA-N 0 1 338.314 2.992 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2cccc(OC)c2)c1[N+](=O)[O-] ZINC000171369391 529465894 /nfs/dbraw/zinc/46/58/94/529465894.db2.gz CQSZTRLQHCZZGR-CQSZACIVSA-N 0 1 344.371 2.866 20 5 EFBDMN CCC(CC)N(CCOC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269355876 282183806 /nfs/dbraw/zinc/18/38/06/282183806.db2.gz HWAQJIMQABLCJP-UHFFFAOYSA-N 0 1 326.397 2.719 20 5 EFBDMN C[C@H]1SCCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000174868234 231328746 /nfs/dbraw/zinc/32/87/46/231328746.db2.gz VRGZIQKZCXORFZ-CZUORRHYSA-N 0 1 332.429 2.970 20 5 EFBDMN C[N@@H+](CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCCC1 ZINC000159979506 529891402 /nfs/dbraw/zinc/89/14/02/529891402.db2.gz KTAAMMLMRBZACW-UHFFFAOYSA-N 0 1 335.404 2.685 20 5 EFBDMN CN(CCOCc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154442145 529924287 /nfs/dbraw/zinc/92/42/87/529924287.db2.gz PVNYXUJKCUOWLC-GOSISDBHSA-N 0 1 330.384 2.777 20 5 EFBDMN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178649255 232335519 /nfs/dbraw/zinc/33/55/19/232335519.db2.gz AMEFNJSPPUEZKS-KGLIPLIRSA-N 0 1 327.384 2.950 20 5 EFBDMN Cc1ccc([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000178681216 232371614 /nfs/dbraw/zinc/37/16/14/232371614.db2.gz BFUATFYLHUJSOH-JQWIXIFHSA-N 0 1 345.321 2.717 20 5 EFBDMN CCc1onc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000179447799 233040306 /nfs/dbraw/zinc/04/03/06/233040306.db2.gz DTXUMPIHZRHLRT-UHFFFAOYSA-N 0 1 325.346 2.563 20 5 EFBDMN CN(C(=O)CNC1(c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000179694918 233329136 /nfs/dbraw/zinc/32/91/36/233329136.db2.gz PYSXOKJOWNBZPY-UHFFFAOYSA-N 0 1 343.358 2.976 20 5 EFBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1nc2ccc(F)cc2[nH]1 ZINC000104231935 219363605 /nfs/dbraw/zinc/36/36/05/219363605.db2.gz VJPJHAPJNSFJJZ-BAQGIRSFSA-N 0 1 340.314 2.940 20 5 EFBDMN Cc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000068875110 215341984 /nfs/dbraw/zinc/34/19/84/215341984.db2.gz FRSDDMXQLIYUHW-UHFFFAOYSA-N 0 1 349.368 2.527 20 5 EFBDMN O=C(Nc1nncs1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000439247323 304022758 /nfs/dbraw/zinc/02/27/58/304022758.db2.gz NTBBPTLAUCQULH-UHFFFAOYSA-N 0 1 327.325 2.761 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000181244042 234129627 /nfs/dbraw/zinc/12/96/27/234129627.db2.gz KQPWZUJUUVGHCI-LBPRGKRZSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181244042 234129629 /nfs/dbraw/zinc/12/96/29/234129629.db2.gz KQPWZUJUUVGHCI-LBPRGKRZSA-N 0 1 328.376 2.678 20 5 EFBDMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000184059344 235294979 /nfs/dbraw/zinc/29/49/79/235294979.db2.gz YGAITUBBCZZJFZ-OCCSQVGLSA-N 0 1 345.424 2.907 20 5 EFBDMN Cc1c(NC(=O)CCN[C@@H](CCO)c2ccco2)cccc1[N+](=O)[O-] ZINC000185108079 235584710 /nfs/dbraw/zinc/58/47/10/235584710.db2.gz MLYZPGBQOTVART-AWEZNQCLSA-N 0 1 347.371 2.538 20 5 EFBDMN N=C1Nc2nc3ccccc3n2[C@@H](c2ccc([N+](=O)[O-])cc2F)N1 ZINC000349161114 283270876 /nfs/dbraw/zinc/27/08/76/283270876.db2.gz SJHBAUNSRPMYJB-ZDUSSCGKSA-N 0 1 326.291 2.580 20 5 EFBDMN CC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000032586098 212813156 /nfs/dbraw/zinc/81/31/56/212813156.db2.gz UBXOZOWWAYGMCS-UHFFFAOYSA-N 0 1 334.353 2.907 20 5 EFBDMN CCSCC[C@@H](C)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072901602 216326330 /nfs/dbraw/zinc/32/63/30/216326330.db2.gz FMTWPUJDJOCLDV-GFCCVEGCSA-N 0 1 325.434 2.997 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@]1(CO)CC(C)C ZINC000191664740 239241627 /nfs/dbraw/zinc/24/16/27/239241627.db2.gz SOWBSGVLJRQSAM-GOSISDBHSA-N 0 1 349.431 2.715 20 5 EFBDMN O=C1CCCc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000194642858 240168227 /nfs/dbraw/zinc/16/82/27/240168227.db2.gz AKHTZIHYHGHJOZ-UHFFFAOYSA-N 0 1 346.364 2.915 20 5 EFBDMN O=C(NCCN1CCC(O)CC1)c1cc2ccccc2c2cccnc12 ZINC000296983303 241106831 /nfs/dbraw/zinc/10/68/31/241106831.db2.gz PHDMCGZPXSBECO-UHFFFAOYSA-N 0 1 349.434 2.575 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@](C)(C(=O)OC)C1 ZINC000412059923 243110000 /nfs/dbraw/zinc/11/00/00/243110000.db2.gz DLTHUGDLRAOVQK-QGZVFWFLSA-N 0 1 336.388 2.769 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000246529467 243265655 /nfs/dbraw/zinc/26/56/55/243265655.db2.gz CMPIWPSGOIHYDZ-STQMWFEESA-N 0 1 335.404 2.910 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)C[C@H](C)C1 ZINC000246529467 243265664 /nfs/dbraw/zinc/26/56/64/243265664.db2.gz CMPIWPSGOIHYDZ-STQMWFEESA-N 0 1 335.404 2.910 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@H]1C ZINC000412234812 243219366 /nfs/dbraw/zinc/21/93/66/243219366.db2.gz QJFFWSILOKBMQC-ZIAGYGMSSA-N 0 1 349.431 2.937 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000412393114 243301860 /nfs/dbraw/zinc/30/18/60/243301860.db2.gz OQOYOCKQGJEXDH-AWEZNQCLSA-N 0 1 349.431 2.938 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000176234435 284099943 /nfs/dbraw/zinc/09/99/43/284099943.db2.gz XFVSCZPLAKHRQR-NWDGAFQWSA-N 0 1 338.433 2.771 20 5 EFBDMN COC(=O)c1cnc([C@@H](C)NCCc2ccccc2[N+](=O)[O-])s1 ZINC000414121489 244012845 /nfs/dbraw/zinc/01/28/45/244012845.db2.gz ZQCOGQGUWVBJGZ-SNVBAGLBSA-N 0 1 335.385 2.731 20 5 EFBDMN COCC[C@H](C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000414195818 244041295 /nfs/dbraw/zinc/04/12/95/244041295.db2.gz JKUVCOLTUUWCQA-XJKSGUPXSA-N 0 1 332.404 2.680 20 5 EFBDMN CCc1ccc([C@@H](NC[C@H]2CNC(=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414199966 244045428 /nfs/dbraw/zinc/04/54/28/244045428.db2.gz LEURIDJHSNFGDV-XIKOKIGWSA-N 0 1 343.383 2.565 20 5 EFBDMN CS(=O)(=O)CC1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000414552052 244229323 /nfs/dbraw/zinc/22/93/23/244229323.db2.gz GMFNFYLPUZGBLD-UHFFFAOYSA-N 0 1 346.836 2.553 20 5 EFBDMN CCOc1cc(N2CCN(C[C@H](CC)OC)CC2)ccc1[N+](=O)[O-] ZINC000419293563 245369960 /nfs/dbraw/zinc/36/99/60/245369960.db2.gz NRQDKQNBGQZLEX-HNNXBMFYSA-N 0 1 337.420 2.541 20 5 EFBDMN CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H](C)O1 ZINC000111273929 220131432 /nfs/dbraw/zinc/13/14/32/220131432.db2.gz DDIDHEWNGBSPHF-DZGCQCFKSA-N 0 1 335.404 2.731 20 5 EFBDMN O=[N+]([O-])c1ccc(NCCCc2nc[nH]n2)c(Br)c1 ZINC000080588489 217316524 /nfs/dbraw/zinc/31/65/24/217316524.db2.gz PTXUKHWBZBBCQM-UHFFFAOYSA-N 0 1 326.154 2.520 20 5 EFBDMN C[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000080611193 217318236 /nfs/dbraw/zinc/31/82/36/217318236.db2.gz DLWVRWOVZIIWHL-NSHDSACASA-N 0 1 346.353 2.661 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000421791790 246118462 /nfs/dbraw/zinc/11/84/62/246118462.db2.gz KUOYJADVFIIHHO-LLVKDONJSA-N 0 1 331.376 2.944 20 5 EFBDMN O=[N+]([O-])c1cc(Br)ccc1CN(CCO)CC1CC1 ZINC000425402827 247071911 /nfs/dbraw/zinc/07/19/11/247071911.db2.gz HNVHAXSKWPMYDR-UHFFFAOYSA-N 0 1 329.194 2.562 20 5 EFBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000425442747 247088324 /nfs/dbraw/zinc/08/83/24/247088324.db2.gz IJVUIVUALLUSHA-UHFFFAOYSA-N 0 1 329.194 2.704 20 5 EFBDMN COc1ccc(C[NH2+][C@H](CC(=O)[O-])c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000426805230 247301156 /nfs/dbraw/zinc/30/11/56/247301156.db2.gz ZNDAIWDIXNJQNZ-GFCCVEGCSA-N 0 1 334.328 2.810 20 5 EFBDMN CCN(CCNC(=O)Cc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000427204576 247329663 /nfs/dbraw/zinc/32/96/63/247329663.db2.gz LMGKUKGOQBMUHK-UHFFFAOYSA-N 0 1 347.337 2.528 20 5 EFBDMN C[C@H](Cc1cccc(O)c1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427630872 247375177 /nfs/dbraw/zinc/37/51/77/247375177.db2.gz VAYHSLYTTPWUOU-SNVBAGLBSA-N 0 1 340.339 2.538 20 5 EFBDMN COCCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCSC1 ZINC000433197717 248028018 /nfs/dbraw/zinc/02/80/18/248028018.db2.gz UFWMTXUTIKBIMU-OAHLLOKOSA-N 0 1 340.445 2.947 20 5 EFBDMN Cc1nc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000433828116 248094743 /nfs/dbraw/zinc/09/47/43/248094743.db2.gz HRRDYGLYELUPML-UHFFFAOYSA-N 0 1 327.387 2.777 20 5 EFBDMN C[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000266140934 248126295 /nfs/dbraw/zinc/12/62/95/248126295.db2.gz HBNYBSWZSJJIQJ-VIFPVBQESA-N 0 1 339.193 2.942 20 5 EFBDMN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCN(C2CCCC2)CC1 ZINC000175359236 296250450 /nfs/dbraw/zinc/25/04/50/296250450.db2.gz MXAPLNZKLGGJLN-UHFFFAOYSA-N 0 1 337.807 2.949 20 5 EFBDMN Cc1cc(OCC(=O)Nc2ccc3nc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000435617199 249387203 /nfs/dbraw/zinc/38/72/03/249387203.db2.gz MYUKCOCGRIMUKH-UHFFFAOYSA-N 0 1 326.312 2.797 20 5 EFBDMN CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CCN(C)CC1 ZINC000435831570 249426576 /nfs/dbraw/zinc/42/65/76/249426576.db2.gz SEDXROWOLSAFHM-UHFFFAOYSA-N 0 1 349.434 2.848 20 5 EFBDMN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000437289172 249666229 /nfs/dbraw/zinc/66/62/29/249666229.db2.gz KPKWMEILPUQQQK-OIBJUYFYSA-N 0 1 341.154 2.911 20 5 EFBDMN CN(C(=O)CSc1nc(C(C)(C)C)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000012260311 211331103 /nfs/dbraw/zinc/33/11/03/211331103.db2.gz AGPCWTHHPFDPHJ-UHFFFAOYSA-N 0 1 349.416 2.766 20 5 EFBDMN CC1(C)CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc21 ZINC000091803772 218068693 /nfs/dbraw/zinc/06/86/93/218068693.db2.gz BJBIMDUCRSPCNV-NSHDSACASA-N 0 1 328.372 2.903 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCc3cc(F)ccc3C2)c1[N+](=O)[O-] ZINC000092095162 218118510 /nfs/dbraw/zinc/11/85/10/218118510.db2.gz UTCNWIFPAGARPA-UHFFFAOYSA-N 0 1 332.335 2.608 20 5 EFBDMN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc2n[nH]cc21 ZINC000442246081 250074796 /nfs/dbraw/zinc/07/47/96/250074796.db2.gz XFEGMXMDRRZGCT-UHFFFAOYSA-N 0 1 332.341 2.580 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000442674095 250101323 /nfs/dbraw/zinc/10/13/23/250101323.db2.gz XACBZURJNSGAIT-UHFFFAOYSA-N 0 1 339.311 2.641 20 5 EFBDMN COc1ccc(NC(=O)CN2CC[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000443646332 250215171 /nfs/dbraw/zinc/21/51/71/250215171.db2.gz CHKFCCVYGLSEJB-QWHCGFSZSA-N 0 1 335.404 2.910 20 5 EFBDMN CC(C)[C@H](CNc1ncc([N+](=O)[O-])s1)N1CCc2ccccc2C1 ZINC000443515350 250203020 /nfs/dbraw/zinc/20/30/20/250203020.db2.gz BZQXZFGFNDYNER-HNNXBMFYSA-N 0 1 346.456 2.968 20 5 EFBDMN Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1S(C)(=O)=O ZINC000443992856 250246034 /nfs/dbraw/zinc/24/60/34/250246034.db2.gz HMIVXTLEJGJOTH-UHFFFAOYSA-N 0 1 334.397 2.597 20 5 EFBDMN CC(C)C1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000444198234 250270252 /nfs/dbraw/zinc/27/02/52/250270252.db2.gz SXPJQUVCSMSUJN-UHFFFAOYSA-N 0 1 331.416 2.852 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC=C(c3ccc(C)nc3)CC2)c1[N+](=O)[O-] ZINC000444352352 250291276 /nfs/dbraw/zinc/29/12/76/250291276.db2.gz OBBYPRJZSUZNCS-UHFFFAOYSA-N 0 1 341.371 2.513 20 5 EFBDMN CCN1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000449517250 251050393 /nfs/dbraw/zinc/05/03/93/251050393.db2.gz JNAHPOCJSWRFAT-GFCCVEGCSA-N 0 1 329.356 2.565 20 5 EFBDMN C[C@@H](N[C@H](C)c1cccc(S(N)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000267434014 251054789 /nfs/dbraw/zinc/05/47/89/251054789.db2.gz HNEKAFXALSAFPJ-VXGBXAGGSA-N 0 1 349.412 2.654 20 5 EFBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000449574276 251069079 /nfs/dbraw/zinc/06/90/79/251069079.db2.gz UIJSIHMHOSDARS-JMSVASOKSA-N 0 1 343.387 2.804 20 5 EFBDMN C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000267473352 251090144 /nfs/dbraw/zinc/09/01/44/251090144.db2.gz YPTFUYFUQWCUNC-CYBMUJFWSA-N 0 1 348.424 2.990 20 5 EFBDMN CCO[C@@H]1COC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449714510 251127376 /nfs/dbraw/zinc/12/73/76/251127376.db2.gz GWSLVSVSRYKHBE-NVXWUHKLSA-N 0 1 332.356 2.748 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](O)C3CCC3)cs2)c1 ZINC000449738316 251135127 /nfs/dbraw/zinc/13/51/27/251135127.db2.gz BACDBLADKLEIBT-OAHLLOKOSA-N 0 1 333.413 2.969 20 5 EFBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cnc(C2CC2)o1 ZINC000449707075 251123820 /nfs/dbraw/zinc/12/38/20/251123820.db2.gz PRSGTGWHPCYYPH-NSHDSACASA-N 0 1 344.371 2.967 20 5 EFBDMN CO[C@H]1CCC[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)C1 ZINC000449846204 251175446 /nfs/dbraw/zinc/17/54/46/251175446.db2.gz WOUPSCQEIOQAGI-AAEUAGOBSA-N 0 1 345.359 2.524 20 5 EFBDMN Cc1nc([C@@H]2CCCN(c3nccc4c3cccc4[N+](=O)[O-])C2)n[nH]1 ZINC000450391741 251370889 /nfs/dbraw/zinc/37/08/89/251370889.db2.gz RDUBLRBEXBQXSG-GFCCVEGCSA-N 0 1 338.371 2.954 20 5 EFBDMN Cc1nnc([C@@H]2CCCN(c3nccc4c3cccc4[N+](=O)[O-])C2)[nH]1 ZINC000450391741 251370895 /nfs/dbraw/zinc/37/08/95/251370895.db2.gz RDUBLRBEXBQXSG-GFCCVEGCSA-N 0 1 338.371 2.954 20 5 EFBDMN Cc1nc(N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000450419036 251380959 /nfs/dbraw/zinc/38/09/59/251380959.db2.gz NFMREYUDSJGIFY-ZIAGYGMSSA-N 0 1 341.415 2.792 20 5 EFBDMN COc1ccc(CN(Cc2cnn(C)c2)CC(C)C)cc1[N+](=O)[O-] ZINC000453628058 252055890 /nfs/dbraw/zinc/05/58/90/252055890.db2.gz WFSTXWOCJYECLD-UHFFFAOYSA-N 0 1 332.404 2.995 20 5 EFBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CCCc2cn[nH]c21 ZINC000268838791 252287182 /nfs/dbraw/zinc/28/71/82/252287182.db2.gz BXQQHJYRJPQCOO-CYBMUJFWSA-N 0 1 349.778 2.848 20 5 EFBDMN C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181885790 296388266 /nfs/dbraw/zinc/38/82/66/296388266.db2.gz WKAVWHZYKYFKTI-CYBMUJFWSA-N 0 1 335.404 2.542 20 5 EFBDMN COCCOC[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000174100980 533113535 /nfs/dbraw/zinc/11/35/35/533113535.db2.gz HZBJAQGIFHMORW-GFCCVEGCSA-N 0 1 328.796 2.733 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000190166717 533222117 /nfs/dbraw/zinc/22/21/17/533222117.db2.gz BOVYLACGBXKFRL-UHFFFAOYSA-N 0 1 344.371 2.525 20 5 EFBDMN CO[C@@H]1CCC[C@@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353635476 285663377 /nfs/dbraw/zinc/66/33/77/285663377.db2.gz ZPLQQKYSEZVJJY-DJIMGWMZSA-N 0 1 344.415 2.822 20 5 EFBDMN COc1ccc(CN[C@@H](c2cccs2)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000340200819 141760905 /nfs/dbraw/zinc/76/09/05/141760905.db2.gz DTALARNXMQKAFZ-AWEZNQCLSA-N 0 1 345.384 2.662 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344466741 142022134 /nfs/dbraw/zinc/02/21/34/142022134.db2.gz SNZXZCKVPIOMFB-CHWSQXEVSA-N 0 1 337.445 2.628 20 5 EFBDMN COc1cc(C(=O)Nc2ccc3nc[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000344466245 142022327 /nfs/dbraw/zinc/02/23/27/142022327.db2.gz PSNSEUARXURWJM-UHFFFAOYSA-N 0 1 342.311 2.741 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000344468816 142022969 /nfs/dbraw/zinc/02/29/69/142022969.db2.gz VAHFEFKKDYJXEL-VXGBXAGGSA-N 0 1 337.445 2.871 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000344479040 142024614 /nfs/dbraw/zinc/02/46/14/142024614.db2.gz YXBODNRKNJLFKC-GHMZBOCLSA-N 0 1 325.796 2.803 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000344480906 142024951 /nfs/dbraw/zinc/02/49/51/142024951.db2.gz ZPBZGFSKTGCOIR-TXEJJXNPSA-N 0 1 337.445 2.871 20 5 EFBDMN CN1CCC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000344610491 142049046 /nfs/dbraw/zinc/04/90/46/142049046.db2.gz KWVXNNCFJSFLOK-AWEZNQCLSA-N 0 1 329.356 2.565 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000345935214 142120291 /nfs/dbraw/zinc/12/02/91/142120291.db2.gz APRPFZXTTWVNNM-MNOVXSKESA-N 0 1 325.796 2.803 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1C ZINC000345974127 142126704 /nfs/dbraw/zinc/12/67/04/142126704.db2.gz XPXQNQLNHSOQTB-RYUDHWBXSA-N 0 1 330.388 2.631 20 5 EFBDMN Cc1sc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000346220455 142170543 /nfs/dbraw/zinc/17/05/43/142170543.db2.gz KUSCXAKPOLMSKR-DMDPSCGWSA-N 0 1 337.445 2.767 20 5 EFBDMN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCN1C ZINC000346427600 142203385 /nfs/dbraw/zinc/20/33/85/142203385.db2.gz VGVKERQVNGFLRM-TVQRCGJNSA-N 0 1 345.321 2.826 20 5 EFBDMN CCN(C)C(=O)c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000346475094 142209474 /nfs/dbraw/zinc/20/94/74/142209474.db2.gz STDJXPBHCAFUTL-UHFFFAOYSA-N 0 1 343.339 2.645 20 5 EFBDMN O=[N+]([O-])c1ccccc1/C=C\CN(CCCO)Cc1ccccn1 ZINC000349326350 142321052 /nfs/dbraw/zinc/32/10/52/142321052.db2.gz DMVRTQQEKNDFLG-YVMONPNESA-N 0 1 327.384 2.888 20 5 EFBDMN CN(C)C(=O)NCCN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000350052554 142394851 /nfs/dbraw/zinc/39/48/51/142394851.db2.gz XNVKDMNGRSEMHB-UHFFFAOYSA-N 0 1 346.387 2.558 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCc3cnccn3)cs2)c1 ZINC000341326404 145033761 /nfs/dbraw/zinc/03/37/61/145033761.db2.gz WZZYOVYWMZKYOK-UHFFFAOYSA-N 0 1 341.396 2.841 20 5 EFBDMN CCc1nc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n[nH]1 ZINC000341365774 145040503 /nfs/dbraw/zinc/04/05/03/145040503.db2.gz HIZDXGPIRQVIAO-UHFFFAOYSA-N 0 1 332.345 2.618 20 5 EFBDMN CCc1n[nH]c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 ZINC000341365774 145040504 /nfs/dbraw/zinc/04/05/04/145040504.db2.gz HIZDXGPIRQVIAO-UHFFFAOYSA-N 0 1 332.345 2.618 20 5 EFBDMN COC(=O)[C@]12CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]1CCCC2 ZINC000342143629 145069984 /nfs/dbraw/zinc/06/99/84/145069984.db2.gz VSHFHPIKRRZWLG-SUMWQHHRSA-N 0 1 336.363 2.899 20 5 EFBDMN COc1ccc(-c2ccc(C[NH2+][C@H](C)CN(C)C)o2)c([N+](=O)[O-])c1 ZINC000342204281 145079985 /nfs/dbraw/zinc/07/99/85/145079985.db2.gz PAURDXPOSYNBIX-GFCCVEGCSA-N 0 1 333.388 2.903 20 5 EFBDMN CNC(=O)[C@H](CCSC)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000342323585 145100721 /nfs/dbraw/zinc/10/07/21/145100721.db2.gz YDRZJXMMUSSDBM-AWEZNQCLSA-N 0 1 339.461 2.676 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000342724610 145179915 /nfs/dbraw/zinc/17/99/15/145179915.db2.gz KXZHXJWSWDIVKT-GJZGRUSLSA-N 0 1 345.374 2.781 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(N(C)Cc3ccccc3)C2)c1 ZINC000342759726 145186511 /nfs/dbraw/zinc/18/65/11/145186511.db2.gz YOKWDCYINGOGMQ-UHFFFAOYSA-N 0 1 339.395 2.860 20 5 EFBDMN Cc1cccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1[N+](=O)[O-] ZINC000343569559 145241294 /nfs/dbraw/zinc/24/12/94/145241294.db2.gz LVYDWWQGMFQSKP-UHFFFAOYSA-N 0 1 342.330 2.891 20 5 EFBDMN Cc1nc(N2CCN(C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000343654617 145263530 /nfs/dbraw/zinc/26/35/30/145263530.db2.gz TYAWUCRGCBHIGH-INIZCTEOSA-N 0 1 326.400 2.661 20 5 EFBDMN COc1ccc(NC(=O)[C@H](C)N2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343954719 145332343 /nfs/dbraw/zinc/33/23/43/145332343.db2.gz MOGNSLYKKBOBSW-AAEUAGOBSA-N 0 1 333.388 2.662 20 5 EFBDMN O=C(CN1CCC[C@H](C2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344072050 145361183 /nfs/dbraw/zinc/36/11/83/145361183.db2.gz SDFQNTZAFMLKBQ-HNNXBMFYSA-N 0 1 329.400 2.606 20 5 EFBDMN CN(C)c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH]1 ZINC000344095786 145367525 /nfs/dbraw/zinc/36/75/25/145367525.db2.gz ZGIACMGUROXOJL-UHFFFAOYSA-N 0 1 325.328 2.789 20 5 EFBDMN O=C1[C@@H](N2CCC[C@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344100706 145368040 /nfs/dbraw/zinc/36/80/40/145368040.db2.gz NMRLAFZKFAWRQE-YOEHRIQHSA-N 0 1 329.400 2.822 20 5 EFBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(F)cncc1F ZINC000344153298 145380503 /nfs/dbraw/zinc/38/05/03/145380503.db2.gz MPJPDUCXHRLBQZ-ZETCQYMHSA-N 0 1 347.281 2.635 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H](C(C)C)C1 ZINC000351093062 146109786 /nfs/dbraw/zinc/10/97/86/146109786.db2.gz ANJCOSHSFOMLKE-INIZCTEOSA-N 0 1 335.404 2.589 20 5 EFBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1c([N+](=O)[O-])ncn1C ZINC000351144411 146112727 /nfs/dbraw/zinc/11/27/27/146112727.db2.gz MJBSDHAGZFYCRS-HZMBPMFUSA-N 0 1 338.795 2.848 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000353039794 146382799 /nfs/dbraw/zinc/38/27/99/146382799.db2.gz LTMYRDKCSKGHEH-WMZOPIPTSA-N 0 1 342.395 2.652 20 5 EFBDMN C[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000353069407 146390086 /nfs/dbraw/zinc/39/00/86/146390086.db2.gz AEBRAMJMFPFQMJ-GXFFZTMASA-N 0 1 327.344 2.921 20 5 EFBDMN O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356500931 147261696 /nfs/dbraw/zinc/26/16/96/147261696.db2.gz ABTCAPHHJINBPB-UHFFFAOYSA-N 0 1 341.323 2.828 20 5 EFBDMN COC(=O)CCc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356516352 147264942 /nfs/dbraw/zinc/26/49/42/147264942.db2.gz VAXFCORZKMTGOJ-UHFFFAOYSA-N 0 1 344.323 2.658 20 5 EFBDMN CN(CCN(C)c1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356548940 147273963 /nfs/dbraw/zinc/27/39/63/147273963.db2.gz MEKMAQCFCBBEJL-UHFFFAOYSA-N 0 1 329.356 2.509 20 5 EFBDMN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356573746 147281035 /nfs/dbraw/zinc/28/10/35/147281035.db2.gz HCODRRHXQJLXGV-XMMPIXPASA-N 0 1 348.380 2.740 20 5 EFBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC000356594306 147285964 /nfs/dbraw/zinc/28/59/64/147285964.db2.gz LVJAEZAVHQIDQV-SNVBAGLBSA-N 0 1 340.339 2.678 20 5 EFBDMN COc1c(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)oc2ccccc21 ZINC000356593470 147285996 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ZINC000359557772 148122525 /nfs/dbraw/zinc/12/25/25/148122525.db2.gz CRLIBBNQZQDJRH-UHFFFAOYSA-N 0 1 346.368 2.591 20 5 EFBDMN CO[C@@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000359663213 148156194 /nfs/dbraw/zinc/15/61/94/148156194.db2.gz KGPMVGXODQCDGE-MRXNPFEDSA-N 0 1 349.412 2.613 20 5 EFBDMN COC(=O)c1ccccc1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000359914398 148221495 /nfs/dbraw/zinc/22/14/95/148221495.db2.gz YNKFJFIZALMIQC-UHFFFAOYSA-N 0 1 340.379 2.982 20 5 EFBDMN Cc1ccc2c(c1)CCN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000360202004 148298005 /nfs/dbraw/zinc/29/80/05/148298005.db2.gz IBHIEJFHCRZJEJ-UHFFFAOYSA-N 0 1 336.351 2.978 20 5 EFBDMN Cc1c([C@@H](C)N[C@@H]2CCCc3c2cnn3CCO)cccc1[N+](=O)[O-] ZINC000368564809 150150549 /nfs/dbraw/zinc/15/05/49/150150549.db2.gz WAEMYLHTURYNSR-CZUORRHYSA-N 0 1 344.415 2.820 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOCC2(CCC2)C1 ZINC000368705876 150186670 /nfs/dbraw/zinc/18/66/70/150186670.db2.gz AGJOIJFRKQNPQG-UHFFFAOYSA-N 0 1 347.415 2.734 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000374394994 151338792 /nfs/dbraw/zinc/33/87/92/151338792.db2.gz RNVYIYZTWJLQJZ-UONOGXRCSA-N 0 1 344.371 2.503 20 5 EFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000374435367 151347524 /nfs/dbraw/zinc/34/75/24/151347524.db2.gz FHHBNEKABOLLES-DJLDLDEBSA-N 0 1 349.334 2.533 20 5 EFBDMN CO[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000374703879 151399100 /nfs/dbraw/zinc/39/91/00/151399100.db2.gz WJRGFPQOTSDWLQ-UONOGXRCSA-N 0 1 335.404 2.731 20 5 EFBDMN Cc1sc(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378306535 152052995 /nfs/dbraw/zinc/05/29/95/152052995.db2.gz LEWLQCYBOISFOQ-KGLIPLIRSA-N 0 1 345.424 2.792 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC12CCCCC2 ZINC000176994723 292292594 /nfs/dbraw/zinc/29/25/94/292292594.db2.gz MHMGYNREQOZWJD-UHFFFAOYSA-N 0 1 331.416 2.994 20 5 EFBDMN O=C(NCCCO[C@H]1CCCc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000158193509 224967302 /nfs/dbraw/zinc/96/73/02/224967302.db2.gz OAQCQUQTYDUZKV-HNNXBMFYSA-N 0 1 344.371 2.532 20 5 EFBDMN CN(C)[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000043143585 272970165 /nfs/dbraw/zinc/97/01/65/272970165.db2.gz UYWVTFJQZLWNML-CQSZACIVSA-N 0 1 348.428 2.758 20 5 EFBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC1(O)CCCCCC1 ZINC000187332342 265094004 /nfs/dbraw/zinc/09/40/04/265094004.db2.gz NDLDJHQUZYDLGE-AWEZNQCLSA-N 0 1 349.431 2.939 20 5 EFBDMN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000188581947 265140975 /nfs/dbraw/zinc/14/09/75/265140975.db2.gz VDWZYOHTVVLYNJ-UHFFFAOYSA-N 0 1 340.332 2.852 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000270669183 265772890 /nfs/dbraw/zinc/77/28/90/265772890.db2.gz OOSXDRNTPMHVII-QWRGUYRKSA-N 0 1 346.391 2.705 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CCO)c1ccccc1 ZINC000271723162 266049854 /nfs/dbraw/zinc/04/98/54/266049854.db2.gz XGNRNECDQFHLPA-QGZVFWFLSA-N 0 1 343.383 2.555 20 5 EFBDMN CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000271993109 266117143 /nfs/dbraw/zinc/11/71/43/266117143.db2.gz GRQBZMGOEPCXNZ-RTBURBONSA-N 0 1 341.411 2.617 20 5 EFBDMN COc1ccc([C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)cc1 ZINC000272488311 266281486 /nfs/dbraw/zinc/28/14/86/266281486.db2.gz GWYJIBSFACTULQ-ZDUSSCGKSA-N 0 1 342.351 2.939 20 5 EFBDMN C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000272491428 266282340 /nfs/dbraw/zinc/28/23/40/266282340.db2.gz HGTQSZQOTPEPJX-CYBMUJFWSA-N 0 1 343.383 2.551 20 5 EFBDMN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272607974 266324678 /nfs/dbraw/zinc/32/46/78/266324678.db2.gz YREXOGHDEJDWIE-DLBZAZTESA-N 0 1 342.351 2.951 20 5 EFBDMN C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272632576 266334021 /nfs/dbraw/zinc/33/40/21/266334021.db2.gz BGAYYMKVUVQGAP-CHWSQXEVSA-N 0 1 347.415 2.683 20 5 EFBDMN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272659964 266343781 /nfs/dbraw/zinc/34/37/81/266343781.db2.gz HCWVWRWIHLKOSO-MRXNPFEDSA-N 0 1 344.367 2.714 20 5 EFBDMN Cc1cc(N(C)CCNC(=O)C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000272788316 266382680 /nfs/dbraw/zinc/38/26/80/266382680.db2.gz BRGQRYOGRJAPKJ-UHFFFAOYSA-N 0 1 330.388 2.660 20 5 EFBDMN CCc1ccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000273523486 266512919 /nfs/dbraw/zinc/51/29/19/266512919.db2.gz SYISXYYXVYUUQI-UHFFFAOYSA-N 0 1 348.424 2.721 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000275560095 266832599 /nfs/dbraw/zinc/83/25/99/266832599.db2.gz CQKMXJWKMMLBHP-LBPRGKRZSA-N 0 1 331.332 2.526 20 5 EFBDMN Cc1nc([C@@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)n[nH]1 ZINC000276614239 267023375 /nfs/dbraw/zinc/02/33/75/267023375.db2.gz LXLAUQNBLUURBJ-CYBMUJFWSA-N 0 1 338.371 2.954 20 5 EFBDMN Cc1nnc([C@@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)[nH]1 ZINC000276614239 267023377 /nfs/dbraw/zinc/02/33/77/267023377.db2.gz LXLAUQNBLUURBJ-CYBMUJFWSA-N 0 1 338.371 2.954 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000276867536 267064552 /nfs/dbraw/zinc/06/45/52/267064552.db2.gz GVLNESTWXVRGQQ-QWRGUYRKSA-N 0 1 331.376 2.646 20 5 EFBDMN CCOc1cc(CN2CCS[C@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000276866168 267064910 /nfs/dbraw/zinc/06/49/10/267064910.db2.gz HBJSHDPDKIPLHM-HOCLYGCPSA-N 0 1 338.429 2.700 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000277096500 267113939 /nfs/dbraw/zinc/11/39/39/267113939.db2.gz LZFJLRSREXJLLS-UHFFFAOYSA-N 0 1 344.371 2.655 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])n[nH]1 ZINC000277140214 267120156 /nfs/dbraw/zinc/12/01/56/267120156.db2.gz DOTYAYBBRYJKSV-BDAKNGLRSA-N 0 1 333.352 2.504 20 5 EFBDMN CCOC(=O)c1ccnc(NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000277381231 267168522 /nfs/dbraw/zinc/16/85/22/267168522.db2.gz ILDGWVNRDFTKPJ-ZDUSSCGKSA-N 0 1 348.403 2.595 20 5 EFBDMN O=C(NC[C@@H]1CCCCN1C1CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000277555259 267196848 /nfs/dbraw/zinc/19/68/48/267196848.db2.gz ORXILRZKDRREGS-LBPRGKRZSA-N 0 1 337.807 2.995 20 5 EFBDMN O=C(NC[C@H]1CCCCN1C1CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000277555254 267196884 /nfs/dbraw/zinc/19/68/84/267196884.db2.gz ORXILRZKDRREGS-GFCCVEGCSA-N 0 1 337.807 2.995 20 5 EFBDMN CCCNC(=O)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113325992 273016394 /nfs/dbraw/zinc/01/63/94/273016394.db2.gz FVFJWNIMWWKHEP-UHFFFAOYSA-N 0 1 348.428 2.724 20 5 EFBDMN CCC[C@@]1(CO)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000277691080 267236131 /nfs/dbraw/zinc/23/61/31/267236131.db2.gz GZYVNJXFQGNJHA-KRWDZBQOSA-N 0 1 346.387 2.772 20 5 EFBDMN O=C1CCCCN1CC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000118852504 273016813 /nfs/dbraw/zinc/01/68/13/273016813.db2.gz DVEJZYUVBHXRDQ-UHFFFAOYSA-N 0 1 331.416 2.819 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C)N1CCN(C)CC1 ZINC000277818917 267271386 /nfs/dbraw/zinc/27/13/86/267271386.db2.gz QCIKOBCQPHWBDR-LBPRGKRZSA-N 0 1 326.828 2.604 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)CN1CCN(C)CC1 ZINC000277856753 267282374 /nfs/dbraw/zinc/28/23/74/267282374.db2.gz TWCOSGUYUZXOKH-LBPRGKRZSA-N 0 1 326.828 2.604 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)CN1CCN(C)CC1 ZINC000277856749 267282516 /nfs/dbraw/zinc/28/25/16/267282516.db2.gz TWCOSGUYUZXOKH-GFCCVEGCSA-N 0 1 326.828 2.604 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c1[N+](=O)[O-] ZINC000278032077 267324073 /nfs/dbraw/zinc/32/40/73/267324073.db2.gz UXDGFXGSSPDJEM-MRVPVSSYSA-N 0 1 334.298 2.683 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000278031156 267324602 /nfs/dbraw/zinc/32/46/02/267324602.db2.gz YOQLAPZFLTWRSE-QWRGUYRKSA-N 0 1 331.376 2.646 20 5 EFBDMN COc1ccc(S(=O)(=O)Nc2cscc2C)cc1[N+](=O)[O-] ZINC000161660279 273022350 /nfs/dbraw/zinc/02/23/50/273022350.db2.gz SWNQEIVRICPAOE-UHFFFAOYSA-N 0 1 328.371 2.774 20 5 EFBDMN O=C(CCc1ccoc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000175542791 273029108 /nfs/dbraw/zinc/02/91/08/273029108.db2.gz RALJMBJRJHYBGB-UHFFFAOYSA-N 0 1 327.300 2.544 20 5 EFBDMN COc1cc(CN(C)Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1O ZINC000177049275 273035948 /nfs/dbraw/zinc/03/59/48/273035948.db2.gz GCBKPEPVTRSKNK-UHFFFAOYSA-N 0 1 332.356 2.950 20 5 EFBDMN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000184608606 273049640 /nfs/dbraw/zinc/04/96/40/273049640.db2.gz HGVVCTRVOUFGDQ-OAHLLOKOSA-N 0 1 347.371 2.802 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000269503287 273081852 /nfs/dbraw/zinc/08/18/52/273081852.db2.gz BNKJLHKJYWMJBD-JTQLQIEISA-N 0 1 332.360 2.980 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCC2)CC1 ZINC000274252673 273127435 /nfs/dbraw/zinc/12/74/35/273127435.db2.gz IKAKSDWDPUTPTH-UHFFFAOYSA-N 0 1 332.404 2.914 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n[nH]1 ZINC000274292640 273130961 /nfs/dbraw/zinc/13/09/61/273130961.db2.gz RIZXOAWJNVJFIJ-SNVBAGLBSA-N 0 1 332.364 2.775 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279389436 273210097 /nfs/dbraw/zinc/21/00/97/273210097.db2.gz UDZMUMGBPIDFCJ-DYVFJYSZSA-N 0 1 347.415 2.731 20 5 EFBDMN CC1(C)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000279805744 273255432 /nfs/dbraw/zinc/25/54/32/273255432.db2.gz XDEICJRAVZYONE-ZDUSSCGKSA-N 0 1 340.445 2.552 20 5 EFBDMN CCC(=O)c1ccc(NC2CCN(CCOC)CC2)c([N+](=O)[O-])c1 ZINC000280149320 273296185 /nfs/dbraw/zinc/29/61/85/273296185.db2.gz AYRGQXCINNZHKK-UHFFFAOYSA-N 0 1 335.404 2.710 20 5 EFBDMN C[C@H](CO)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCC1 ZINC000280260736 273308599 /nfs/dbraw/zinc/30/85/99/273308599.db2.gz CDTFRTHKLOTJPM-GFCCVEGCSA-N 0 1 346.387 2.628 20 5 EFBDMN O=C(NCCN1CC=CCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000280362123 273319904 /nfs/dbraw/zinc/31/99/04/273319904.db2.gz YDOLNTNVVXYGAR-UHFFFAOYSA-N 0 1 343.305 2.605 20 5 EFBDMN C[C@@H](CO)N(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCC1 ZINC000280510837 273335667 /nfs/dbraw/zinc/33/56/67/273335667.db2.gz NNXVMVFWRMZMDG-LBPRGKRZSA-N 0 1 346.387 2.628 20 5 EFBDMN CCC(=O)c1ccc(N2C[C@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000280776777 273365542 /nfs/dbraw/zinc/36/55/42/273365542.db2.gz SKIOBNZAXVIAFW-HOCLYGCPSA-N 0 1 337.445 2.669 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(CN(C)C)ccn2)c1 ZINC000282885797 273634968 /nfs/dbraw/zinc/63/49/68/273634968.db2.gz RTXRGMNXUXJEIT-UHFFFAOYSA-N 0 1 344.371 2.702 20 5 EFBDMN COc1ccc([C@@H](CCO)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285168128 273954040 /nfs/dbraw/zinc/95/40/40/273954040.db2.gz MTUITLLHJCCWLJ-SJKOYZFVSA-N 0 1 345.399 2.960 20 5 EFBDMN COc1ccc([C@H](CCO)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285168115 273954047 /nfs/dbraw/zinc/95/40/47/273954047.db2.gz MTUITLLHJCCWLJ-PXAZEXFGSA-N 0 1 345.399 2.960 20 5 EFBDMN Cc1ccc2c(c1)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000285510227 274014828 /nfs/dbraw/zinc/01/48/28/274014828.db2.gz JSHCKTSNGWXMFW-QGZVFWFLSA-N 0 1 328.368 2.831 20 5 EFBDMN COCCn1cc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000337554157 274040797 /nfs/dbraw/zinc/04/07/97/274040797.db2.gz QECHSITYHCSMHK-KRWDZBQOSA-N 0 1 344.415 2.950 20 5 EFBDMN C[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000285835846 274084337 /nfs/dbraw/zinc/08/43/37/274084337.db2.gz XZZOWGRMTQWEOR-BXUZGUMPSA-N 0 1 347.337 2.509 20 5 EFBDMN CO[C@]1(C)CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000373647576 274087126 /nfs/dbraw/zinc/08/71/26/274087126.db2.gz MTZJLIPRWMXIQG-SJLPKXTDSA-N 0 1 347.415 2.591 20 5 EFBDMN C[C@@H](C(=O)NC(C)(C)C)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000362595235 274197786 /nfs/dbraw/zinc/19/77/86/274197786.db2.gz AXMHVBFAVZLLIQ-ZDUSSCGKSA-N 0 1 337.420 2.599 20 5 EFBDMN Cc1nc([C@@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000286697253 274253625 /nfs/dbraw/zinc/25/36/25/274253625.db2.gz ZJTFGTKYHOAFPN-ZCFIWIBFSA-N 0 1 326.154 2.957 20 5 EFBDMN C[C@@H](O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000110559606 274270964 /nfs/dbraw/zinc/27/09/64/274270964.db2.gz WRJSQLWOMRMVAH-WDEREUQCSA-N 0 1 347.337 2.505 20 5 EFBDMN C[C@@H](O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000110559603 274271101 /nfs/dbraw/zinc/27/11/01/274271101.db2.gz WRJSQLWOMRMVAH-GHMZBOCLSA-N 0 1 347.337 2.505 20 5 EFBDMN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000135264946 274361999 /nfs/dbraw/zinc/36/19/99/274361999.db2.gz LJNXBBXOOOEVBP-NXEZZACHSA-N 0 1 328.210 2.886 20 5 EFBDMN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)CN1C ZINC000351509283 274362604 /nfs/dbraw/zinc/36/26/04/274362604.db2.gz LDZMHXRQDQGRLI-NXEZZACHSA-N 0 1 328.210 2.886 20 5 EFBDMN C[C@@H]1COCC[C@@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000287421526 274417005 /nfs/dbraw/zinc/41/70/05/274417005.db2.gz KBYITMICJMBIEB-FRFSOERESA-N 0 1 344.415 2.680 20 5 EFBDMN Cc1ccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000360769917 274740955 /nfs/dbraw/zinc/74/09/55/274740955.db2.gz CWLHNYZSXQYGKU-UHFFFAOYSA-N 0 1 326.400 2.929 20 5 EFBDMN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449197950 276694102 /nfs/dbraw/zinc/69/41/02/276694102.db2.gz YULPWUJQUWGESK-OCCSQVGLSA-N 0 1 329.404 2.804 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(CCc2cccs2)CC1 ZINC000360949571 276709349 /nfs/dbraw/zinc/70/93/49/276709349.db2.gz NQYCNEFBEGYRJM-UHFFFAOYSA-N 0 1 349.460 2.546 20 5 EFBDMN COC(=O)C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000179122054 277329784 /nfs/dbraw/zinc/32/97/84/277329784.db2.gz UUEYAPVMBNCNPP-CQSZACIVSA-N 0 1 336.388 2.910 20 5 EFBDMN CC(C)c1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245804736 278036019 /nfs/dbraw/zinc/03/60/19/278036019.db2.gz YIMIELVLGCPNFH-GJZGRUSLSA-N 0 1 335.448 2.605 20 5 EFBDMN C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000158529483 278369025 /nfs/dbraw/zinc/36/90/25/278369025.db2.gz QMZUMDMIPLJPPB-ZWNOBZJWSA-N 0 1 345.321 2.799 20 5 EFBDMN C[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000343502852 278380858 /nfs/dbraw/zinc/38/08/58/278380858.db2.gz KVNVLEPSTUSLGH-WBMJQRKESA-N 0 1 331.416 2.918 20 5 EFBDMN Cc1cc(N[C@@H]2CCO[C@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000363664956 280300085 /nfs/dbraw/zinc/30/00/85/280300085.db2.gz LKZVXRWNEPYCLK-FZKQIMNGSA-N 0 1 343.383 2.623 20 5 EFBDMN CC(C)c1ccc(CN2CCN(CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000129984670 280604305 /nfs/dbraw/zinc/60/43/05/280604305.db2.gz WHIYCLQNSLVZKD-UHFFFAOYSA-N 0 1 335.448 2.607 20 5 EFBDMN Cc1cccc(C(=O)N2CC(N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000352867005 281189370 /nfs/dbraw/zinc/18/93/70/281189370.db2.gz IEUZFDVJQMFFJN-UHFFFAOYSA-N 0 1 339.395 2.860 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000194864455 281257026 /nfs/dbraw/zinc/25/70/26/281257026.db2.gz NXRYOAZNALSXCL-UHFFFAOYSA-N 0 1 331.416 2.994 20 5 EFBDMN CN(C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000056465516 292658268 /nfs/dbraw/zinc/65/82/68/292658268.db2.gz OGQOCRXUSHMNJY-AWEZNQCLSA-N 0 1 348.428 2.758 20 5 EFBDMN CN(C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000172947730 289278691 /nfs/dbraw/zinc/27/86/91/289278691.db2.gz JYXCZZKTYVSLKJ-AWEZNQCLSA-N 0 1 333.413 2.618 20 5 EFBDMN COC(=O)c1cc(NC(=O)[C@H](C)N2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000074954489 292740832 /nfs/dbraw/zinc/74/08/32/292740832.db2.gz JCSDKXCJGDLYLS-LBPRGKRZSA-N 0 1 349.387 2.584 20 5 EFBDMN C[C@H]1CC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000319227099 290353969 /nfs/dbraw/zinc/35/39/69/290353969.db2.gz UJXRIPQRLQLFLJ-NXEZZACHSA-N 0 1 330.381 2.837 20 5 EFBDMN O=[N+]([O-])c1cccc(CN(C[C@H](O)COCc2ccco2)C2CC2)c1 ZINC000153300704 293369891 /nfs/dbraw/zinc/36/98/91/293369891.db2.gz SRLYOWZSUSGFKK-KRWDZBQOSA-N 0 1 346.383 2.730 20 5 EFBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC1(CO)CCOCC1 ZINC000290106466 294000817 /nfs/dbraw/zinc/00/08/17/294000817.db2.gz XIBZQDSUYYXUSX-UHFFFAOYSA-N 0 1 335.187 2.533 20 5 EFBDMN Cc1cc(Cc2noc(CCCCc3cn[nH]n3)n2)ccc1[N+](=O)[O-] ZINC000290154362 294012366 /nfs/dbraw/zinc/01/23/66/294012366.db2.gz SEOKAGMUCSQLIJ-UHFFFAOYSA-N 0 1 342.359 2.561 20 5 EFBDMN COC(=O)C1(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290548782 294116856 /nfs/dbraw/zinc/11/68/56/294116856.db2.gz ASDCCGPMNXDCOI-UHFFFAOYSA-N 0 1 333.171 2.944 20 5 EFBDMN CN(CCCn1ccnc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000290659889 294149159 /nfs/dbraw/zinc/14/91/59/294149159.db2.gz ZQBXYJIVTVUAPD-UHFFFAOYSA-N 0 1 340.330 2.915 20 5 EFBDMN C[C@@H](C[S@@](C)=O)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290845437 294201412 /nfs/dbraw/zinc/20/14/12/294201412.db2.gz JHCRJDMBLPCJOB-ZDVLTJLQSA-N 0 1 325.217 2.758 20 5 EFBDMN CC(C)NC(=O)c1ccc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000290865969 294206921 /nfs/dbraw/zinc/20/69/21/294206921.db2.gz ZDURZDMPSMLDMU-JSGCOSHPSA-N 0 1 346.431 2.770 20 5 EFBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccc(F)cc1 ZINC000293614387 295011799 /nfs/dbraw/zinc/01/17/99/295011799.db2.gz PWZUTEUUKAINDC-QGZVFWFLSA-N 0 1 332.375 2.812 20 5 EFBDMN C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000293733309 295037874 /nfs/dbraw/zinc/03/78/74/295037874.db2.gz MZPRZSPIOITCTG-STQMWFEESA-N 0 1 342.399 2.533 20 5 EFBDMN CC[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H](C)O1 ZINC000294496487 295176327 /nfs/dbraw/zinc/17/63/27/295176327.db2.gz FIPJLOBBRCHFGP-SMDDNHRTSA-N 0 1 344.371 2.624 20 5 EFBDMN CCCN(CC(C)(C)O)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295008829 295257047 /nfs/dbraw/zinc/25/70/47/295257047.db2.gz CMTIYHYRXARMHC-UHFFFAOYSA-N 0 1 346.387 2.608 20 5 EFBDMN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCS1 ZINC000295066840 295263902 /nfs/dbraw/zinc/26/39/02/295263902.db2.gz VQWVTZKKZIPPJL-UHFFFAOYSA-N 0 1 346.412 2.953 20 5 EFBDMN CCOC(=O)c1cc(NCc2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000295068879 295264166 /nfs/dbraw/zinc/26/41/66/295264166.db2.gz ZOGXKXLLMCVIJP-UHFFFAOYSA-N 0 1 333.348 2.625 20 5 EFBDMN Cc1c(NC(=O)CCN(C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000295105226 295268665 /nfs/dbraw/zinc/26/86/65/295268665.db2.gz GXDSDEQIQMOLBF-UHFFFAOYSA-N 0 1 328.372 2.759 20 5 EFBDMN COc1cc(CN(C)[C@H](C)C(C)(C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000295131494 295272256 /nfs/dbraw/zinc/27/22/56/295272256.db2.gz JVRKXGPGMPVTAY-SECBINFHSA-N 0 1 348.346 2.796 20 5 EFBDMN COc1cc(CN2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000295229718 295285173 /nfs/dbraw/zinc/28/51/73/295285173.db2.gz NSMJDNMWSOUIGE-CYBMUJFWSA-N 0 1 338.404 2.595 20 5 EFBDMN C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000295275230 295291606 /nfs/dbraw/zinc/29/16/06/295291606.db2.gz HGFWSNNIXNSMDB-ZDUSSCGKSA-N 0 1 349.456 2.630 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC000295413105 295316075 /nfs/dbraw/zinc/31/60/75/295316075.db2.gz SMUTUHONEKAIFS-CYBMUJFWSA-N 0 1 347.415 2.550 20 5 EFBDMN CC[C@H]1CO[C@H](C)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295423672 295318026 /nfs/dbraw/zinc/31/80/26/295318026.db2.gz WBKWXEGOFUIIDG-YPMHNXCESA-N 0 1 344.371 2.624 20 5 EFBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN(C2CC2)C1 ZINC000295484866 295328523 /nfs/dbraw/zinc/32/85/23/295328523.db2.gz ZLDKAIGERYPISP-LLVKDONJSA-N 0 1 337.807 2.805 20 5 EFBDMN CSC[C@@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295592303 295346021 /nfs/dbraw/zinc/34/60/21/295346021.db2.gz XPCZIWOOHHHEIU-ZDUSSCGKSA-N 0 1 346.412 2.953 20 5 EFBDMN COC(=O)c1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000295598932 295347166 /nfs/dbraw/zinc/34/71/66/295347166.db2.gz CQOMYOIUMIBICC-NSHDSACASA-N 0 1 331.372 2.879 20 5 EFBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC=C(c3cccnc3)C2)c1 ZINC000295693880 295362208 /nfs/dbraw/zinc/36/22/08/295362208.db2.gz DRDRTTPGXPRETC-SFHVURJKSA-N 0 1 325.368 2.813 20 5 EFBDMN CC(C)(C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1)C(N)=O ZINC000295781775 295375387 /nfs/dbraw/zinc/37/53/87/295375387.db2.gz ZENNLCKUVDMJBJ-ZDUSSCGKSA-N 0 1 337.395 2.848 20 5 EFBDMN CCc1nc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC000295788337 295376275 /nfs/dbraw/zinc/37/62/75/295376275.db2.gz YPVGKMYOWLDKKX-UHFFFAOYSA-N 0 1 344.158 2.512 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(F)c1F ZINC000342954065 302050776 /nfs/dbraw/zinc/05/07/76/302050776.db2.gz VVKXLDQYHBPLOO-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN O=[N+]([O-])c1ccccc1CN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000131195631 304807482 /nfs/dbraw/zinc/80/74/82/304807482.db2.gz VXBKKPFFEUHDBM-SFHVURJKSA-N 0 1 341.411 2.758 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCF ZINC000134519650 310642590 /nfs/dbraw/zinc/64/25/90/310642590.db2.gz HKNQHLNWKYFAKG-UHFFFAOYSA-N 0 1 331.152 2.540 20 5 EFBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc3ncccc32)c1 ZINC000170047608 310734818 /nfs/dbraw/zinc/73/48/18/310734818.db2.gz JUXYJCOEHGYDIB-UHFFFAOYSA-N 0 1 329.337 2.944 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000298287965 310975326 /nfs/dbraw/zinc/97/53/26/310975326.db2.gz IEMVZZAXOWNJKE-LLVKDONJSA-N 0 1 325.796 2.805 20 5 EFBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000298641806 311010215 /nfs/dbraw/zinc/01/02/15/311010215.db2.gz KUPKMVKHIKBDOH-CQSZACIVSA-N 0 1 331.397 2.661 20 5 EFBDMN CCCCN(CCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000298762712 311021451 /nfs/dbraw/zinc/02/14/51/311021451.db2.gz QPJWCZUZSXKHAD-UHFFFAOYSA-N 0 1 348.346 2.799 20 5 EFBDMN CC[C@@H]1CO[C@H](C)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000299231070 311063808 /nfs/dbraw/zinc/06/38/08/311063808.db2.gz PWFVHFPWHBDXQO-ZIAGYGMSSA-N 0 1 335.404 2.731 20 5 EFBDMN COCCCN(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000299253681 311065845 /nfs/dbraw/zinc/06/58/45/311065845.db2.gz DDSBTQDTFAEOEJ-UHFFFAOYSA-N 0 1 334.319 2.673 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000299527639 311093531 /nfs/dbraw/zinc/09/35/31/311093531.db2.gz KTNAEOYWHRDYHC-UHFFFAOYSA-N 0 1 330.319 2.695 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC(COc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000299585624 311099652 /nfs/dbraw/zinc/09/96/52/311099652.db2.gz YNFWWZSWCCRCFT-UHFFFAOYSA-N 0 1 344.371 2.558 20 5 EFBDMN C[C@@H](NCC(=O)N(C)Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000299725514 311114434 /nfs/dbraw/zinc/11/44/34/311114434.db2.gz UKMDWBWKDIHGIS-GFCCVEGCSA-N 0 1 333.413 2.966 20 5 EFBDMN C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)CN1CCOCC1 ZINC000301370232 311133917 /nfs/dbraw/zinc/13/39/17/311133917.db2.gz PROQNGCPHWBJMU-ZDUSSCGKSA-N 0 1 330.388 2.523 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1NCC1(CN2CCOCC2)CCCCC1 ZINC000301582417 311145732 /nfs/dbraw/zinc/14/57/32/311145732.db2.gz PWYDNAGGIUJDBD-UHFFFAOYSA-N 0 1 348.447 2.993 20 5 EFBDMN Cc1cc(N2CCN(C[C@H]3CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301597091 311146897 /nfs/dbraw/zinc/14/68/97/311146897.db2.gz ZOZJYKFQGPJSHX-CYBMUJFWSA-N 0 1 339.823 2.715 20 5 EFBDMN Cc1cc(NCC(=O)N2CCCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302129841 311179075 /nfs/dbraw/zinc/17/90/75/311179075.db2.gz BQZZZQBHUJDQGT-UHFFFAOYSA-N 0 1 328.372 2.876 20 5 EFBDMN O=[N+]([O-])c1cnc(Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)nc1 ZINC000302143224 311180134 /nfs/dbraw/zinc/18/01/34/311180134.db2.gz GAJJZAIDNBOOIU-UHFFFAOYSA-N 0 1 336.283 2.599 20 5 EFBDMN Cc1nc(NCc2n[nH]c(COc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000302235398 311186715 /nfs/dbraw/zinc/18/67/15/311186715.db2.gz FEODACFHSCHELT-UHFFFAOYSA-N 0 1 340.343 2.607 20 5 EFBDMN Cc1cc2[nH]ncc2cc1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302711394 311197545 /nfs/dbraw/zinc/19/75/45/311197545.db2.gz KTYOZHUBDZCKIH-UHFFFAOYSA-N 0 1 346.368 2.927 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000305105989 311215709 /nfs/dbraw/zinc/21/57/09/311215709.db2.gz BJYHIWWXQGWSNW-AWEZNQCLSA-N 0 1 348.321 2.609 20 5 EFBDMN C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000324167380 311241108 /nfs/dbraw/zinc/24/11/08/311241108.db2.gz FGMWJMYAUVCRBD-BLLLJJGKSA-N 0 1 330.388 2.512 20 5 EFBDMN C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000324355828 311241496 /nfs/dbraw/zinc/24/14/96/311241496.db2.gz GUSVECNRCCTGDD-NSHDSACASA-N 0 1 338.360 2.816 20 5 EFBDMN CCNc1ccc(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000327206449 311244872 /nfs/dbraw/zinc/24/48/72/311244872.db2.gz QCVHOWVBIQEGMK-DZGCQCFKSA-N 0 1 346.431 2.725 20 5 EFBDMN CCN1C[C@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000330562347 311322084 /nfs/dbraw/zinc/32/20/84/311322084.db2.gz JHWLNNPZUPIOBR-OLZOCXBDSA-N 0 1 345.403 2.559 20 5 EFBDMN Cc1c(NC(=O)CCN2CCOC(C)(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000331066772 311352114 /nfs/dbraw/zinc/35/21/14/311352114.db2.gz YKQIHSABECFZNR-CYBMUJFWSA-N 0 1 335.404 2.731 20 5 EFBDMN CSc1ccc(C(=O)N2CCN(C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331163824 311358193 /nfs/dbraw/zinc/35/81/93/311358193.db2.gz RTTPAVKHLHWPST-CQSZACIVSA-N 0 1 337.445 2.729 20 5 EFBDMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 ZINC000331583511 311393267 /nfs/dbraw/zinc/39/32/67/311393267.db2.gz JZZFAZBAKJEXSO-SNVBAGLBSA-N 0 1 333.348 2.797 20 5 EFBDMN Cc1nc(C2(NCc3cc(O)ccc3[N+](=O)[O-])CCCCC2)no1 ZINC000339029382 311712469 /nfs/dbraw/zinc/71/24/69/311712469.db2.gz PIASTXJNCLYZDT-UHFFFAOYSA-N 0 1 332.360 2.941 20 5 EFBDMN CC(C)[C@H]1N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000412763474 312009597 /nfs/dbraw/zinc/00/95/97/312009597.db2.gz XDDWCXNQAPAFJY-OAHLLOKOSA-N 0 1 334.372 2.578 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)ccnc1C ZINC000414449258 312049375 /nfs/dbraw/zinc/04/93/75/312049375.db2.gz BJAADTPCCCUVDT-UHFFFAOYSA-N 0 1 335.385 2.970 20 5 EFBDMN COc1cc(CNC[C@@H](CC(C)C)OC)c([N+](=O)[O-])cc1OC ZINC000418101580 312325845 /nfs/dbraw/zinc/32/58/45/312325845.db2.gz QEFQUCGMMROHPU-CYBMUJFWSA-N 0 1 326.393 2.763 20 5 EFBDMN Cc1c(Nc2nc3sccn3c2[N+](=O)[O-])cnn1[C@@H]1CCOC1 ZINC000450796427 312749077 /nfs/dbraw/zinc/74/90/77/312749077.db2.gz QLMJTPYKKQZUBM-SECBINFHSA-N 0 1 334.361 2.514 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)CCC1CCCC1 ZINC000450985511 312791077 /nfs/dbraw/zinc/79/10/77/312791077.db2.gz JPLMYNNZBZUCQD-UHFFFAOYSA-N 0 1 328.390 2.925 20 5 EFBDMN C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c2nccn21 ZINC000453345526 312890626 /nfs/dbraw/zinc/89/06/26/312890626.db2.gz KENLYTREFCUJKI-YIYPIFLZSA-N 0 1 330.392 2.767 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456281139 313035580 /nfs/dbraw/zinc/03/55/80/313035580.db2.gz NXMPEQWHHPNFEE-BBRMVZONSA-N 0 1 326.356 2.732 20 5 EFBDMN COC(=O)COc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000473458983 313197905 /nfs/dbraw/zinc/19/79/05/313197905.db2.gz GBUWYWNUEDKXJN-UHFFFAOYSA-N 0 1 341.323 2.998 20 5 EFBDMN Cc1c(CN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cccc1[N+](=O)[O-] ZINC000479489719 313269223 /nfs/dbraw/zinc/26/92/23/313269223.db2.gz NHZSOKDVKDLOLY-HNNXBMFYSA-N 0 1 347.802 2.743 20 5 EFBDMN CC(C)NC(=O)c1ccc(N2CCN(C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487080907 313363851 /nfs/dbraw/zinc/36/38/51/313363851.db2.gz UZGWTGIPPDOTGA-KRWDZBQOSA-N 0 1 348.447 2.509 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000487160388 313371360 /nfs/dbraw/zinc/37/13/60/313371360.db2.gz XZBCFXOGUIFIMG-XJKSGUPXSA-N 0 1 334.420 2.637 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@H]1c1nnc[nH]1 ZINC000493082223 314234625 /nfs/dbraw/zinc/23/46/25/314234625.db2.gz HNFXFXJCGYRGII-VGVVRCBHSA-N 0 1 345.334 2.619 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1CNC1(CO)Cc2ccccc2C1 ZINC000493281345 314302379 /nfs/dbraw/zinc/30/23/79/314302379.db2.gz PGGZTPZPMJYHRD-UHFFFAOYSA-N 0 1 332.787 2.868 20 5 EFBDMN COc1cc(CN[C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000494250570 314564917 /nfs/dbraw/zinc/56/49/17/314564917.db2.gz JQUJOEWATWXGBU-PSLIRLAXSA-N 0 1 346.330 2.862 20 5 EFBDMN COC(=O)Nc1ccc(OC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000495611823 314772626 /nfs/dbraw/zinc/77/26/26/314772626.db2.gz IXPBBSQTUHACIT-UHFFFAOYSA-N 0 1 332.268 2.698 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496440496 315067443 /nfs/dbraw/zinc/06/74/43/315067443.db2.gz SUTQICJPRWBXLS-LRFDDAOPSA-N 0 1 333.388 2.771 20 5 EFBDMN COc1ccccc1N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000505467127 315457658 /nfs/dbraw/zinc/45/76/58/315457658.db2.gz KXDDRMRYJPQKTD-UHFFFAOYSA-N 0 1 343.383 2.631 20 5 EFBDMN CC(C)C(=O)NC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000507131380 315475599 /nfs/dbraw/zinc/47/55/99/315475599.db2.gz AFBDOWNAHOCGJW-ALCCZGGFSA-N 0 1 331.416 2.845 20 5 EFBDMN O=C([O-])C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000517576788 315769671 /nfs/dbraw/zinc/76/96/71/315769671.db2.gz ZXOYCOFTZAKUCY-UHFFFAOYSA-N 0 1 332.278 2.910 20 5 EFBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cn3ccsc3n2)n1 ZINC000520720196 315974853 /nfs/dbraw/zinc/97/48/53/315974853.db2.gz YJQYGJXPMZSZPL-OLZOCXBDSA-N 0 1 346.416 2.774 20 5 EFBDMN COc1ccc(CN(Cc2ccccc2)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000524971302 316183190 /nfs/dbraw/zinc/18/31/90/316183190.db2.gz KPXVXIDPXHYNLH-CQSZACIVSA-N 0 1 330.384 2.986 20 5 EFBDMN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000527485292 316384094 /nfs/dbraw/zinc/38/40/94/316384094.db2.gz UHRHPODAIGMZLY-SNVBAGLBSA-N 0 1 347.352 2.776 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccccn2)c1 ZINC000531200681 317234408 /nfs/dbraw/zinc/23/44/08/317234408.db2.gz PCLLKAZTALVOJH-MAUKXSAKSA-N 0 1 343.383 2.567 20 5 EFBDMN CNc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000531721039 317304659 /nfs/dbraw/zinc/30/46/59/317304659.db2.gz RVQLBKPKAIHXDE-UHFFFAOYSA-N 0 1 346.431 2.727 20 5 EFBDMN C[C@H](Cc1ccsc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000542131210 317803993 /nfs/dbraw/zinc/80/39/93/317803993.db2.gz SINOFCCRMOGDLG-CYBMUJFWSA-N 0 1 332.429 2.805 20 5 EFBDMN CC(C)n1cc([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000543505369 317851415 /nfs/dbraw/zinc/85/14/15/317851415.db2.gz QJMCEQVRLOSUKG-CYBMUJFWSA-N 0 1 345.403 2.686 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nnc(CN[C@H](CO)C3CCCCC3)o2)cc1 ZINC000543838890 317867961 /nfs/dbraw/zinc/86/79/61/317867961.db2.gz IISLKWAADSKAHV-OAHLLOKOSA-N 0 1 346.387 2.676 20 5 EFBDMN CC[C@](C)(NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(F)(F)F ZINC000547818825 318045322 /nfs/dbraw/zinc/04/53/22/318045322.db2.gz SBBJIQZMDJLRON-NSHDSACASA-N 0 1 340.323 2.913 20 5 EFBDMN CC[C@H]1CN(C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555878907 318372656 /nfs/dbraw/zinc/37/26/56/318372656.db2.gz QRNRZBBJYKZOMO-HNNXBMFYSA-N 0 1 330.388 2.776 20 5 EFBDMN C[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CC(C)C1 ZINC000563410470 318781843 /nfs/dbraw/zinc/78/18/43/318781843.db2.gz XRKPCDZZJMYQSP-GOEBONIOSA-N 0 1 331.416 2.641 20 5 EFBDMN C[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000567505231 319178963 /nfs/dbraw/zinc/17/89/63/319178963.db2.gz REHMQMYKLQMJFU-STQMWFEESA-N 0 1 335.404 2.754 20 5 EFBDMN O=C([O-])[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000568064831 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EFBDMN Cc1cc(N2CCC3(CCC[N@@H+]3C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576469833 320018778 /nfs/dbraw/zinc/01/87/78/320018778.db2.gz VJXRKQLMTWKTBZ-UHFFFAOYSA-N 0 1 333.388 2.666 20 5 EFBDMN Cc1c(NC(=O)CCN2C[C@@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000577629945 320130128 /nfs/dbraw/zinc/13/01/28/320130128.db2.gz WVSYGWLNBBKRBI-CYBMUJFWSA-N 0 1 347.415 2.875 20 5 EFBDMN CC(=O)Nc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000578026491 320166800 /nfs/dbraw/zinc/16/68/00/320166800.db2.gz VMPISGAPEWHKEE-HNNXBMFYSA-N 0 1 326.356 2.725 20 5 EFBDMN O=[N+]([O-])c1cnc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000578724991 320232302 /nfs/dbraw/zinc/23/23/02/320232302.db2.gz OPYJNFUFEJGKAY-JTQLQIEISA-N 0 1 332.339 2.508 20 5 EFBDMN O=[N+]([O-])c1cnc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(F)c1 ZINC000578724991 320232304 /nfs/dbraw/zinc/23/23/04/320232304.db2.gz OPYJNFUFEJGKAY-JTQLQIEISA-N 0 1 332.339 2.508 20 5 EFBDMN CC[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCO1 ZINC000182287745 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Cc1nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2n1C ZINC000083577619 473352219 /nfs/dbraw/zinc/35/22/19/473352219.db2.gz WATFDRBBKLCEIJ-UHFFFAOYSA-N 0 1 346.368 2.591 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@](C)(O)C1 ZINC000125070228 473352318 /nfs/dbraw/zinc/35/23/18/473352318.db2.gz DNJSBOYHFIEARY-MEDUHNTESA-N 0 1 332.360 2.553 20 5 EFBDMN C[C@@H]1CCC[C@H](C)CN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000125220806 473375946 /nfs/dbraw/zinc/37/59/46/473375946.db2.gz ZGPPOCVPGQDHIQ-NWDGAFQWSA-N 0 1 349.387 2.773 20 5 EFBDMN CCn1c(SCc2n[nH]c(C)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000488232223 478132580 /nfs/dbraw/zinc/13/25/80/478132580.db2.gz JFOLTPWERMQPFI-UHFFFAOYSA-N 0 1 345.388 2.592 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000595481420 478810225 /nfs/dbraw/zinc/81/02/25/478810225.db2.gz GXOCPIREJHRGRM-STQMWFEESA-N 0 1 336.310 2.641 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccccc1 ZINC000007783613 471638121 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Cc1nsc(N2CCCN(CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000075967452 472229862 /nfs/dbraw/zinc/22/98/62/472229862.db2.gz FEZISGWSUKONBB-UHFFFAOYSA-N 0 1 347.444 2.510 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000029836635 472299369 /nfs/dbraw/zinc/29/93/69/472299369.db2.gz OPQOBUKOJDVFEM-MRXNPFEDSA-N 0 1 331.347 2.767 20 5 EFBDMN CN1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000029843302 472299872 /nfs/dbraw/zinc/29/98/72/472299872.db2.gz HDZNLPPKIMOJDF-CYBMUJFWSA-N 0 1 343.412 2.797 20 5 EFBDMN CC(C)[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)N1CCOCC1 ZINC000029871629 472301705 /nfs/dbraw/zinc/30/17/05/472301705.db2.gz VEGXYQNKZUXBLW-KRWDZBQOSA-N 0 1 344.415 2.912 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000044487044 472310527 /nfs/dbraw/zinc/31/05/27/472310527.db2.gz CDQHITWLXKPTEN-NSHDSACASA-N 0 1 325.415 2.751 20 5 EFBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCC2)CC1 ZINC000045157006 472378867 /nfs/dbraw/zinc/37/88/67/472378867.db2.gz 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CCCCc1nc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2[nH]1 ZINC000120319485 472667582 /nfs/dbraw/zinc/66/75/82/472667582.db2.gz VRUDHRJKPVAJCE-UHFFFAOYSA-N 0 1 328.332 2.789 20 5 EFBDMN O=C(c1ccccc1[N+](=O)[O-])N1CCN(CC2CCCCC2)CC1 ZINC000060579026 472669908 /nfs/dbraw/zinc/66/99/08/472669908.db2.gz KWBRCSWLHMMAOQ-UHFFFAOYSA-N 0 1 331.416 2.933 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCC1CCOCC1 ZINC000120381759 472678181 /nfs/dbraw/zinc/67/81/81/472678181.db2.gz SWEYYGDEOQEJQT-UHFFFAOYSA-N 0 1 335.404 2.590 20 5 EFBDMN CN(CCC1CCOCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000120463996 472693890 /nfs/dbraw/zinc/69/38/90/472693890.db2.gz IEXRYULCILJKLZ-UHFFFAOYSA-N 0 1 346.387 2.893 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCc4n[nH]cc4C3)o2)c1 ZINC000091079127 472696389 /nfs/dbraw/zinc/69/63/89/472696389.db2.gz NDDAMHFUJFFSDU-UHFFFAOYSA-N 0 1 339.355 2.574 20 5 EFBDMN CC[C@H](CSC)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000091098739 472704950 /nfs/dbraw/zinc/70/49/50/472704950.db2.gz PBGHIBWIJYFQRY-GFCCVEGCSA-N 0 1 325.434 2.915 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000072758343 472711482 /nfs/dbraw/zinc/71/14/82/472711482.db2.gz XPUNJIJXXAUHPO-UHFFFAOYSA-N 0 1 326.305 2.549 20 5 EFBDMN Cc1ccnc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)c1[N+](=O)[O-] ZINC000078508877 472726956 /nfs/dbraw/zinc/72/69/56/472726956.db2.gz MWTFHXZNJOZQOL-UHFFFAOYSA-N 0 1 327.344 2.962 20 5 EFBDMN Cc1cnc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)c([N+](=O)[O-])c1 ZINC000078670445 472750924 /nfs/dbraw/zinc/75/09/24/472750924.db2.gz WKFQGPCJYSAFTR-UHFFFAOYSA-N 0 1 327.344 2.962 20 5 EFBDMN CCC(CC)(CNCc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)OC ZINC000120897508 472765134 /nfs/dbraw/zinc/76/51/34/472765134.db2.gz HVDMCMCMWPHUBZ-UHFFFAOYSA-N 0 1 335.360 2.805 20 5 EFBDMN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000157246078 472799893 /nfs/dbraw/zinc/79/98/93/472799893.db2.gz VBSNZECEUMWDMB-BXUZGUMPSA-N 0 1 337.807 2.805 20 5 EFBDMN O=C(CC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000092055531 472849191 /nfs/dbraw/zinc/84/91/91/472849191.db2.gz PSKCFEVBKRJPAS-UHFFFAOYSA-N 0 1 347.415 2.525 20 5 EFBDMN O=[N+]([O-])c1ccc(NCCCN2CCN(c3ccccc3)CC2)nc1 ZINC000073772139 472871826 /nfs/dbraw/zinc/87/18/26/472871826.db2.gz YHQWGWLGULDGGJ-UHFFFAOYSA-N 0 1 341.415 2.614 20 5 EFBDMN COc1ccc(OCCSc2nc(C3CC3)n[nH]2)c([N+](=O)[O-])c1 ZINC000134201452 472884611 /nfs/dbraw/zinc/88/46/11/472884611.db2.gz FBIUDKLAQLRNBR-UHFFFAOYSA-N 0 1 336.373 2.770 20 5 EFBDMN COc1ccc(OCCSc2n[nH]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000134201452 472884619 /nfs/dbraw/zinc/88/46/19/472884619.db2.gz FBIUDKLAQLRNBR-UHFFFAOYSA-N 0 1 336.373 2.770 20 5 EFBDMN CC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134196330 472884728 /nfs/dbraw/zinc/88/47/28/472884728.db2.gz DPNJJJFAIIYYMK-OAHLLOKOSA-N 0 1 344.415 2.609 20 5 EFBDMN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092399995 472906305 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Cc1[nH]nc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC000065492968 472955903 /nfs/dbraw/zinc/95/59/03/472955903.db2.gz ICGGUAPACLOXNE-UHFFFAOYSA-N 0 1 332.404 2.915 20 5 EFBDMN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCOC1 ZINC000107686868 472973070 /nfs/dbraw/zinc/97/30/70/472973070.db2.gz OQWMRVNDZNXFOX-LBPRGKRZSA-N 0 1 332.360 2.503 20 5 EFBDMN CC[C@H](O)[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000074287070 472979368 /nfs/dbraw/zinc/97/93/68/472979368.db2.gz YPOQNBQKULTRMQ-GJZGRUSLSA-N 0 1 346.387 2.770 20 5 EFBDMN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)N1C ZINC000135264909 473046448 /nfs/dbraw/zinc/04/64/48/473046448.db2.gz LJNXBBXOOOEVBP-AOOOYVTPSA-N 0 1 328.210 2.886 20 5 EFBDMN O=[N+]([O-])c1cnn(CCSc2nc(C=Cc3ccccc3)n[nH]2)c1 ZINC000080613730 473056853 /nfs/dbraw/zinc/05/68/53/473056853.db2.gz CWXMAWVTKVRZMW-VOTSOKGWSA-N 0 1 342.384 2.872 20 5 EFBDMN Cc1cc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)ncc1[N+](=O)[O-] ZINC000074767836 473059958 /nfs/dbraw/zinc/05/99/58/473059958.db2.gz SPSQANPDBBEYMC-UHFFFAOYSA-N 0 1 327.344 2.962 20 5 EFBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000159819027 473063481 /nfs/dbraw/zinc/06/34/81/473063481.db2.gz AFBMFBOMBSWONG-SSDOTTSWSA-N 0 1 328.250 2.828 20 5 EFBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnc3ccccc3c2)c1 ZINC000074841353 473076427 /nfs/dbraw/zinc/07/64/27/473076427.db2.gz PQCVSTZQXFNQRE-UHFFFAOYSA-N 0 1 329.337 2.944 20 5 EFBDMN CC(C)O[C@@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000613535409 480028074 /nfs/dbraw/zinc/02/80/74/480028074.db2.gz CRRVLVZUYYRLIF-UONOGXRCSA-N 0 1 346.387 2.793 20 5 EFBDMN Cc1cc(NCc2cccnc2N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000066372745 473083559 /nfs/dbraw/zinc/08/35/59/473083559.db2.gz LCRWLXAJXASACA-UHFFFAOYSA-N 0 1 341.415 2.662 20 5 EFBDMN CCc1ncc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534228 473117159 /nfs/dbraw/zinc/11/71/59/473117159.db2.gz MQHAYDXYQVWEMD-LLVKDONJSA-N 0 1 333.417 2.695 20 5 EFBDMN CO[C@@]1(C)C[C@@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000075294449 473162277 /nfs/dbraw/zinc/16/22/77/473162277.db2.gz WLKNSUFFRZRANK-DYVFJYSZSA-N 0 1 346.387 2.747 20 5 EFBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(F)c1 ZINC000093930985 473164061 /nfs/dbraw/zinc/16/40/61/473164061.db2.gz ACJUQGMKXUOENU-UHFFFAOYSA-N 0 1 340.332 2.681 20 5 EFBDMN COCCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000066865611 473166000 /nfs/dbraw/zinc/16/60/00/473166000.db2.gz XLUKTLSSJNKNGJ-SNVBAGLBSA-N 0 1 329.784 2.544 20 5 EFBDMN O=C(NCc1ccccc1OC1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000136720250 473174126 /nfs/dbraw/zinc/17/41/26/473174126.db2.gz JDQHRUJOTWEUDW-UHFFFAOYSA-N 0 1 330.344 2.569 20 5 EFBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1Cc1ccccc1 ZINC000066921112 473176026 /nfs/dbraw/zinc/17/60/26/473176026.db2.gz IWMRPHSKBDCPHX-SFHVURJKSA-N 0 1 339.395 2.876 20 5 EFBDMN COc1cc(C(=O)N2CCN(CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000160800504 473176246 /nfs/dbraw/zinc/17/62/46/473176246.db2.gz WOIKTMRWGGHZLV-UHFFFAOYSA-N 0 1 349.431 2.797 20 5 EFBDMN CC(C)[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N1CCOCC1 ZINC000075469904 473190010 /nfs/dbraw/zinc/19/00/10/473190010.db2.gz MNULSXIWIRTAOZ-KRWDZBQOSA-N 0 1 344.415 2.912 20 5 EFBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185324959 473394938 /nfs/dbraw/zinc/39/49/38/473394938.db2.gz DYINSFAKQUTZMD-GFCCVEGCSA-N 0 1 349.337 2.524 20 5 EFBDMN O=C(Cc1ccsc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000171484716 473398659 /nfs/dbraw/zinc/39/86/59/473398659.db2.gz HRMIHGUMRLDOHX-UHFFFAOYSA-N 0 1 329.341 2.623 20 5 EFBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCOCC(F)F)c1 ZINC000190900449 473424026 /nfs/dbraw/zinc/42/40/26/473424026.db2.gz WXRJDUMJHFGGLP-UHFFFAOYSA-N 0 1 326.246 2.568 20 5 EFBDMN COC(=O)COc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000185652522 473478159 /nfs/dbraw/zinc/47/81/59/473478159.db2.gz APQKIYNMTGURCB-ZDUSSCGKSA-N 0 1 344.367 2.997 20 5 EFBDMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000114641849 473488465 /nfs/dbraw/zinc/48/84/65/473488465.db2.gz QUDAITCQLJJSSH-AWEZNQCLSA-N 0 1 329.356 2.582 20 5 EFBDMN COc1ccc(NC(=O)CN(C)[C@H](C)CCSC)c([N+](=O)[O-])c1 ZINC000126317252 473507191 /nfs/dbraw/zinc/50/71/91/473507191.db2.gz FTYZNBMJDUIUMF-LLVKDONJSA-N 0 1 341.433 2.615 20 5 EFBDMN CCc1[nH]nc(C(=O)N(CCC(F)(F)F)CC2CC2)c1[N+](=O)[O-] ZINC000185816216 473521706 /nfs/dbraw/zinc/52/17/06/473521706.db2.gz CVQDGNABVYOHAI-UHFFFAOYSA-N 0 1 334.298 2.685 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(CC)Cc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000172334793 473583875 /nfs/dbraw/zinc/58/38/75/473583875.db2.gz WJSMOBNZGYTGAW-UHFFFAOYSA-N 0 1 346.387 2.941 20 5 EFBDMN CN(C)c1noc(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000191898453 473587492 /nfs/dbraw/zinc/58/74/92/473587492.db2.gz MVKZHJUYTGMSGV-GXTWGEPZSA-N 0 1 345.403 2.545 20 5 EFBDMN CC(C)CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000152668901 473587933 /nfs/dbraw/zinc/58/79/33/473587933.db2.gz YCGKQFQFVOWGFU-UHFFFAOYSA-N 0 1 325.796 2.662 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000172377475 473594667 /nfs/dbraw/zinc/59/46/67/473594667.db2.gz SNMQQFOVVIMGDM-LBPRGKRZSA-N 0 1 346.362 2.724 20 5 EFBDMN CC[N@@H+](CC(=O)[O-])C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000191993164 473600487 /nfs/dbraw/zinc/60/04/87/473600487.db2.gz HKORVFIXDFMQIX-CYBMUJFWSA-N 0 1 335.404 2.527 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H]2CCC[C@@H]2C1 ZINC000153222724 473613452 /nfs/dbraw/zinc/61/34/52/473613452.db2.gz VMSSBYCOZAXYMQ-YNEHKIRRSA-N 0 1 333.388 2.662 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)Cc2cccc(OC(C)C)c2)c1[N+](=O)[O-] ZINC000179034343 473616128 /nfs/dbraw/zinc/61/61/28/473616128.db2.gz YKYCGFOJCKWNQW-UHFFFAOYSA-N 0 1 346.387 2.940 20 5 EFBDMN O=C(NC1(Cc2ccccc2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186272536 473635769 /nfs/dbraw/zinc/63/57/69/473635769.db2.gz OPLULQVAVQKTFZ-UHFFFAOYSA-N 0 1 336.351 2.976 20 5 EFBDMN COc1cc(CNc2cnc3ccccc3n2)cc([N+](=O)[O-])c1O ZINC000192153463 473637993 /nfs/dbraw/zinc/63/79/93/473637993.db2.gz MVWMOUPXAFPQPB-UHFFFAOYSA-N 0 1 326.312 2.864 20 5 EFBDMN COC(=O)[C@H](C)N(CCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000192379614 473675344 /nfs/dbraw/zinc/67/53/44/473675344.db2.gz MIGHWBMDLYBIGV-ZDUSSCGKSA-N 0 1 336.388 2.780 20 5 EFBDMN C[C@](N)(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000192469970 473682937 /nfs/dbraw/zinc/68/29/37/473682937.db2.gz SMFOZWBHZNLBMR-LJQANCHMSA-N 0 1 341.411 2.908 20 5 EFBDMN CC(C)(C)c1nc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2[nH]1 ZINC000179386431 473683270 /nfs/dbraw/zinc/68/32/70/473683270.db2.gz BPBLDXCTEXEFNH-UHFFFAOYSA-N 0 1 328.332 2.744 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)[C@@](C)(N)c2ccccc2)cc1[N+](=O)[O-] ZINC000192507616 473686907 /nfs/dbraw/zinc/68/69/07/473686907.db2.gz UOLKUQHTCREYCZ-UGSOOPFHSA-N 0 1 327.384 2.955 20 5 EFBDMN CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000192632107 473697643 /nfs/dbraw/zinc/69/76/43/473697643.db2.gz AFJSRTSOWYYWCR-UHFFFAOYSA-N 0 1 344.375 2.783 20 5 EFBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000179599631 473697729 /nfs/dbraw/zinc/69/77/29/473697729.db2.gz NKVSGAZTJKHNKI-ZETCQYMHSA-N 0 1 344.249 2.708 20 5 EFBDMN O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269127400 473703369 /nfs/dbraw/zinc/70/33/69/473703369.db2.gz JWDRLUWMJTXNIO-ZDUSSCGKSA-N 0 1 341.367 2.557 20 5 EFBDMN O=C(NC1(c2nccs2)CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269270331 473757432 /nfs/dbraw/zinc/75/74/32/473757432.db2.gz FZMCQYWKKDAFBD-UHFFFAOYSA-N 0 1 333.369 2.956 20 5 EFBDMN CN(C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000173156651 473757794 /nfs/dbraw/zinc/75/77/94/473757794.db2.gz MKMUEESWPZAGTB-QGZVFWFLSA-N 0 1 345.374 2.696 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263560819 473775467 /nfs/dbraw/zinc/77/54/67/473775467.db2.gz RIHZWEPUBVTKPY-UHFFFAOYSA-N 0 1 333.388 2.643 20 5 EFBDMN Cc1cccc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c1[N+](=O)[O-] ZINC000263556446 473775627 /nfs/dbraw/zinc/77/56/27/473775627.db2.gz ONINBFINKAFXKT-UHFFFAOYSA-N 0 1 333.388 2.643 20 5 EFBDMN COc1ccc2c(c1)CN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])CC2 ZINC000269339444 473779441 /nfs/dbraw/zinc/77/94/41/473779441.db2.gz HIFBERGSWAPUHJ-UHFFFAOYSA-N 0 1 344.371 2.648 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000269346355 473782008 /nfs/dbraw/zinc/78/20/08/473782008.db2.gz FGVBLLNLEUVWTE-UHFFFAOYSA-N 0 1 347.331 2.622 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263582114 473785115 /nfs/dbraw/zinc/78/51/15/473785115.db2.gz YDCJJDCPCPPGBV-LSDHHAIUSA-N 0 1 349.431 2.835 20 5 EFBDMN O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000287950605 473807224 /nfs/dbraw/zinc/80/72/24/473807224.db2.gz YCDXZYDJYMYDSV-GOSISDBHSA-N 0 1 343.383 2.660 20 5 EFBDMN CCc1cnc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1 ZINC000269555973 473832732 /nfs/dbraw/zinc/83/27/32/473832732.db2.gz ZGULAEOPYGEMIQ-UHFFFAOYSA-N 0 1 337.405 2.732 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(C(F)(F)F)CC1 ZINC000173478130 473850022 /nfs/dbraw/zinc/85/00/22/473850022.db2.gz JFTREPIIEDIKLP-UHFFFAOYSA-N 0 1 342.277 2.886 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000246406101 473854015 /nfs/dbraw/zinc/85/40/15/473854015.db2.gz LKVKSELOUUDFHN-RWMBFGLXSA-N 0 1 349.456 2.817 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(N2CCCNC2=O)CC1 ZINC000269677433 473857093 /nfs/dbraw/zinc/85/70/93/473857093.db2.gz CWTKPCNIWYYLQM-ZDUSSCGKSA-N 0 1 332.404 2.536 20 5 EFBDMN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CCN1Cc1ccccc1 ZINC000173519308 473864185 /nfs/dbraw/zinc/86/41/85/473864185.db2.gz KFFGHGKWIWTDDW-CQSZACIVSA-N 0 1 343.383 2.924 20 5 EFBDMN O=C(CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)NCC1CC1 ZINC000180382573 473865078 /nfs/dbraw/zinc/86/50/78/473865078.db2.gz WBBNYZOONBLZRX-UHFFFAOYSA-N 0 1 345.424 2.939 20 5 EFBDMN Cc1c(CN2CCC([C@@H](O)c3nccn3C)CC2)cccc1[N+](=O)[O-] ZINC000269701398 473867555 /nfs/dbraw/zinc/86/75/55/473867555.db2.gz LZOPXBRSVOWSHG-QGZVFWFLSA-N 0 1 344.415 2.582 20 5 EFBDMN O=C(CN1CCC[C@H]2CCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173557678 473876414 /nfs/dbraw/zinc/87/64/14/473876414.db2.gz LIINTOPFQOKGBE-CJNGLKHVSA-N 0 1 329.400 2.748 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H]4OCCC[C@H]4C3)o2)cc1 ZINC000246518397 473888624 /nfs/dbraw/zinc/88/86/24/473888624.db2.gz FQLOZEFACZILAK-ZFWWWQNUSA-N 0 1 344.371 2.646 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000269850505 473896700 /nfs/dbraw/zinc/89/67/00/473896700.db2.gz XLVSETKQPBSLBD-HNNXBMFYSA-N 0 1 335.448 2.946 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1NCCc1nc2ccc(F)cc2[nH]1 ZINC000288298754 473902137 /nfs/dbraw/zinc/90/21/37/473902137.db2.gz CAIHLTIHLVOBIS-UHFFFAOYSA-N 0 1 332.339 2.790 20 5 EFBDMN CS[C@@H]1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000274709098 473928853 /nfs/dbraw/zinc/92/88/53/473928853.db2.gz XDHQVNDKKZIZDN-IAGOWNOFSA-N 0 1 349.456 2.813 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000188125670 473992613 /nfs/dbraw/zinc/99/26/13/473992613.db2.gz FKOLMQIKAASITC-JTQLQIEISA-N 0 1 332.360 2.722 20 5 EFBDMN C[C@@H](NC(=O)[C@@H]1NCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000195111455 474008381 /nfs/dbraw/zinc/00/83/81/474008381.db2.gz OWIPUYTXHIDTDN-SJKOYZFVSA-N 0 1 325.368 2.659 20 5 EFBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000195186642 474024550 /nfs/dbraw/zinc/02/45/50/474024550.db2.gz IOQQNOXAPNALFI-UHFFFAOYSA-N 0 1 346.431 2.636 20 5 EFBDMN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000195199884 474028268 /nfs/dbraw/zinc/02/82/68/474028268.db2.gz OYKJFGBKDPKISF-UHFFFAOYSA-N 0 1 340.343 2.574 20 5 EFBDMN C[C@@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181506009 474042527 /nfs/dbraw/zinc/04/25/27/474042527.db2.gz SSKNVHNTCDGRBZ-NWDGAFQWSA-N 0 1 329.356 2.978 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc(O)c1 ZINC000181519830 474043089 /nfs/dbraw/zinc/04/30/89/474043089.db2.gz WSSKHJZUVXOBOJ-LLVKDONJSA-N 0 1 345.355 2.598 20 5 EFBDMN C[C@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181570139 474048676 /nfs/dbraw/zinc/04/86/76/474048676.db2.gz SYEHBCVRBGKASX-RYUDHWBXSA-N 0 1 329.356 2.978 20 5 EFBDMN C[C@@H](C(=O)N1CCCCCC1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282458253 474073297 /nfs/dbraw/zinc/07/32/97/474073297.db2.gz MLCMHKWHXGPRFW-HNNXBMFYSA-N 0 1 333.432 2.860 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000264679533 474085787 /nfs/dbraw/zinc/08/57/87/474085787.db2.gz OUUJCRGQUWTGRS-NSHDSACASA-N 0 1 332.335 2.649 20 5 EFBDMN Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000198152744 474105406 /nfs/dbraw/zinc/10/54/06/474105406.db2.gz UCQZDCMMGODECQ-INIZCTEOSA-N 0 1 339.395 2.908 20 5 EFBDMN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(C2CCCC2)CC1 ZINC000247289474 474110223 /nfs/dbraw/zinc/11/02/23/474110223.db2.gz ALSWWNIENNAWGA-UHFFFAOYSA-N 0 1 337.807 2.949 20 5 EFBDMN O=[N+]([O-])c1ccc(NCCN2CCCOCC2)cc1C(F)(F)F ZINC000188495645 474110359 /nfs/dbraw/zinc/11/03/59/474110359.db2.gz YCEWLUVQWJKKHE-UHFFFAOYSA-N 0 1 333.310 2.748 20 5 EFBDMN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-])CCC2 ZINC000264742705 474111585 /nfs/dbraw/zinc/11/15/85/474111585.db2.gz KUSRWVRZUPTOSD-JTQLQIEISA-N 0 1 335.389 2.541 20 5 EFBDMN COc1ccc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000174903813 474115922 /nfs/dbraw/zinc/11/59/22/474115922.db2.gz NZCUIJFGEMZTBB-UHFFFAOYSA-N 0 1 340.339 2.718 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000289007140 474118547 /nfs/dbraw/zinc/11/85/47/474118547.db2.gz WYVVXPMGWJDGOM-UHFFFAOYSA-N 0 1 344.375 2.783 20 5 EFBDMN CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)O1 ZINC000247416568 474141522 /nfs/dbraw/zinc/14/15/22/474141522.db2.gz DDIDHEWNGBSPHF-UKRRQHHQSA-N 0 1 335.404 2.731 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)O1 ZINC000247416553 474141992 /nfs/dbraw/zinc/14/19/92/474141992.db2.gz DDIDHEWNGBSPHF-HIFRSBDPSA-N 0 1 335.404 2.731 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC(c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000188715279 474173998 /nfs/dbraw/zinc/17/39/98/474173998.db2.gz BXXAHKFWEIIWBG-UHFFFAOYSA-N 0 1 334.401 2.962 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270644856 474202749 /nfs/dbraw/zinc/20/27/49/474202749.db2.gz IMCLFOVRGPXYKU-VIFPVBQESA-N 0 1 348.363 2.728 20 5 EFBDMN CCN(C)C(=O)[C@@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188896932 474227995 /nfs/dbraw/zinc/22/79/95/474227995.db2.gz SBHKPFWBYHMYBU-GFCCVEGCSA-N 0 1 331.372 2.811 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n[nH]1 ZINC000270735351 474242439 /nfs/dbraw/zinc/24/24/39/474242439.db2.gz KILLTYRLSCVTIN-VIFPVBQESA-N 0 1 342.359 2.809 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000275601171 474247856 /nfs/dbraw/zinc/24/78/56/474247856.db2.gz ICPNLOAFPSCBKI-VIFPVBQESA-N 0 1 348.363 2.728 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000270750302 474249369 /nfs/dbraw/zinc/24/93/69/474249369.db2.gz YBSNZGNNWIIRDY-SSDOTTSWSA-N 0 1 338.755 2.811 20 5 EFBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899402 474283065 /nfs/dbraw/zinc/28/30/65/474283065.db2.gz TUPVODPZAYDVDB-CHWSQXEVSA-N 0 1 347.415 2.683 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c1[N+](=O)[O-] ZINC000265701964 474301809 /nfs/dbraw/zinc/30/18/09/474301809.db2.gz RBMWDAJLZNZNGP-DGCLKSJQSA-N 0 1 328.372 2.953 20 5 EFBDMN C[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275747772 474304272 /nfs/dbraw/zinc/30/42/72/474304272.db2.gz RJWPCTWPHRVSOO-GZBFAFLISA-N 0 1 329.404 2.785 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1F ZINC000283256900 474352471 /nfs/dbraw/zinc/35/24/71/474352471.db2.gz VTRITXMIXYPHSH-CYBMUJFWSA-N 0 1 345.378 2.651 20 5 EFBDMN CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC000265870279 474367509 /nfs/dbraw/zinc/36/75/09/474367509.db2.gz ITLVIGNNBZKFTH-RYUDHWBXSA-N 0 1 338.408 2.682 20 5 EFBDMN CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC000265870278 474367583 /nfs/dbraw/zinc/36/75/83/474367583.db2.gz ITLVIGNNBZKFTH-NWDGAFQWSA-N 0 1 338.408 2.682 20 5 EFBDMN COc1cc(CNC[C@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000237270720 474371280 /nfs/dbraw/zinc/37/12/80/474371280.db2.gz GQFQRGMGAAMXJZ-INIZCTEOSA-N 0 1 346.383 2.744 20 5 EFBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248598508 474372250 /nfs/dbraw/zinc/37/22/50/474372250.db2.gz UISGQTQOFJJUAA-WBMJQRKESA-N 0 1 337.395 2.636 20 5 EFBDMN COc1cc(CN(C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000248638854 474388597 /nfs/dbraw/zinc/38/85/97/474388597.db2.gz WLHPJGWYTOQSNK-IAQYHMDHSA-N 0 1 326.368 2.725 20 5 EFBDMN CN(C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000183575890 474394750 /nfs/dbraw/zinc/39/47/50/474394750.db2.gz YXVKUBPDDSGLAS-AWEZNQCLSA-N 0 1 347.350 2.553 20 5 EFBDMN O=[N+]([O-])c1ccc(OC2CCN(CCOCC(F)F)CC2)cc1 ZINC000189477044 474411072 /nfs/dbraw/zinc/41/10/72/474411072.db2.gz FEYXBGDUTYXQAO-UHFFFAOYSA-N 0 1 330.331 2.720 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])c(N2CCN(C(C)C)CC2)cc1Cl ZINC000265981483 474411767 /nfs/dbraw/zinc/41/17/67/474411767.db2.gz FOHOCXGRJBEUIX-UHFFFAOYSA-N 0 1 341.795 2.565 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000176234464 474416850 /nfs/dbraw/zinc/41/68/50/474416850.db2.gz XFVSCZPLAKHRQR-VXGBXAGGSA-N 0 1 338.433 2.771 20 5 EFBDMN Cc1ccc(NCCCNC(=O)[C@H](N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000237668196 474453601 /nfs/dbraw/zinc/45/36/01/474453601.db2.gz IOHFXCHRMXCKTD-QGZVFWFLSA-N 0 1 342.399 2.521 20 5 EFBDMN CCOc1cccc(NC[C@H]2CN(CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000184041299 474463702 /nfs/dbraw/zinc/46/37/02/474463702.db2.gz OCVYQHVMLXWHEL-AWEZNQCLSA-N 0 1 337.420 2.762 20 5 EFBDMN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000276286761 474481933 /nfs/dbraw/zinc/48/19/33/474481933.db2.gz SOKRHXZPHUGCPC-LBPRGKRZSA-N 0 1 345.321 2.857 20 5 EFBDMN COc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000266875446 474512347 /nfs/dbraw/zinc/51/23/47/474512347.db2.gz OEFVGHOEROQXEM-ZDUSSCGKSA-N 0 1 346.383 2.825 20 5 EFBDMN COCCOCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289992616 474518656 /nfs/dbraw/zinc/51/86/56/474518656.db2.gz CHYGHMZRCHCROX-UHFFFAOYSA-N 0 1 334.372 2.950 20 5 EFBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1CN(C)C2 ZINC000283893831 474521334 /nfs/dbraw/zinc/52/13/34/474521334.db2.gz CNZNEWCUVQSODI-UHFFFAOYSA-N 0 1 347.396 2.649 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000266907277 474525079 /nfs/dbraw/zinc/52/50/79/474525079.db2.gz BNVLPUBRLHZGHM-OCCSQVGLSA-N 0 1 342.399 2.974 20 5 EFBDMN CCO[C@@H]1C[C@](CO)(NCc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000189992814 474530136 /nfs/dbraw/zinc/53/01/36/474530136.db2.gz YCCDWYBBRQHILP-GDBMZVCRSA-N 0 1 342.823 2.904 20 5 EFBDMN CC(C)(C)CN(CCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284251182 474603361 /nfs/dbraw/zinc/60/33/61/474603361.db2.gz WGMWRMDOBBTXIV-UHFFFAOYSA-N 0 1 325.365 2.734 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000284359055 474625760 /nfs/dbraw/zinc/62/57/60/474625760.db2.gz SQMLYAAMSMAAMD-VXGBXAGGSA-N 0 1 332.360 2.520 20 5 EFBDMN CN(C)Cc1ccnc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000267286551 474638469 /nfs/dbraw/zinc/63/84/69/474638469.db2.gz UJXVYAALCMVKBF-UHFFFAOYSA-N 0 1 342.399 2.968 20 5 EFBDMN O=C(NCc1nc(-c2cccs2)c[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000338870776 474686692 /nfs/dbraw/zinc/68/66/92/474686692.db2.gz ZAJKPOZCHMQWLZ-UHFFFAOYSA-N 0 1 344.352 2.682 20 5 EFBDMN Cc1c(CNC(=O)c2n[nH]nc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000338886218 474701577 /nfs/dbraw/zinc/70/15/77/474701577.db2.gz COBKJZPESZFEKR-UHFFFAOYSA-N 0 1 337.339 2.618 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000284837183 474793652 /nfs/dbraw/zinc/79/36/52/474793652.db2.gz QSQOUJIFSOHLGU-HOTGVXAUSA-N 0 1 334.372 2.605 20 5 EFBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000268107542 474802146 /nfs/dbraw/zinc/80/21/46/474802146.db2.gz DGTMKLFQVVQOTA-OAHLLOKOSA-N 0 1 343.358 2.738 20 5 EFBDMN CC(C)[C@@]1(CO)CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000293098392 474810705 /nfs/dbraw/zinc/81/07/05/474810705.db2.gz QCBSAFOSKPOSOW-KRWDZBQOSA-N 0 1 333.388 2.967 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000337251140 474828097 /nfs/dbraw/zinc/82/80/97/474828097.db2.gz KIYGCGIBHWRFDV-XNRPHZJLSA-N 0 1 340.807 2.610 20 5 EFBDMN Cc1cc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000345060528 474857050 /nfs/dbraw/zinc/85/70/50/474857050.db2.gz GWRGQIPFDDWAEG-ROUUACIJSA-N 0 1 339.395 2.731 20 5 EFBDMN CC(C)(C)[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(N)=O ZINC000339035524 474863003 /nfs/dbraw/zinc/86/30/03/474863003.db2.gz XREARGRYFCYRRB-NSHDSACASA-N 0 1 333.310 2.603 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN(c2ncccc2Cl)CC1 ZINC000339037705 474864734 /nfs/dbraw/zinc/86/47/34/474864734.db2.gz STZAGLYRKQCHGF-UHFFFAOYSA-N 0 1 348.790 2.671 20 5 EFBDMN C[C@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000278843691 474866589 /nfs/dbraw/zinc/86/65/89/474866589.db2.gz WMVORCADVIMQMY-LBPRGKRZSA-N 0 1 339.823 2.938 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](O)CC1 ZINC000293207067 474868344 /nfs/dbraw/zinc/86/83/44/474868344.db2.gz RBYCAWRUTIAYOO-RISCZKNCSA-N 0 1 332.360 2.553 20 5 EFBDMN CN1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000345073363 474868873 /nfs/dbraw/zinc/86/88/73/474868873.db2.gz XGPRCOCYTJZTKA-SJORKVTESA-N 0 1 343.358 2.562 20 5 EFBDMN COc1ccc([C@@H](CCO)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000339065713 474893527 /nfs/dbraw/zinc/89/35/27/474893527.db2.gz NBSWBJWWKCFQMH-MRXNPFEDSA-N 0 1 332.356 2.522 20 5 EFBDMN C[C@@H]1CC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000319184489 474898444 /nfs/dbraw/zinc/89/84/44/474898444.db2.gz KHSRLQHGLGIGFX-JFGNBEQYSA-N 0 1 330.381 2.837 20 5 EFBDMN C[C@@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000319519069 474901626 /nfs/dbraw/zinc/90/16/26/474901626.db2.gz ZOPXOEBGMGHOEK-SCVCMEIPSA-N 0 1 330.381 2.837 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000339076900 474906410 /nfs/dbraw/zinc/90/64/10/474906410.db2.gz HHHJQZFWGBRZLV-KRWDZBQOSA-N 0 1 328.368 2.744 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H](Cc2ccccc2)C1 ZINC000339076901 474906787 /nfs/dbraw/zinc/90/67/87/474906787.db2.gz HHHJQZFWGBRZLV-QGZVFWFLSA-N 0 1 328.368 2.744 20 5 EFBDMN C[C@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000320021505 474906903 /nfs/dbraw/zinc/90/69/03/474906903.db2.gz HELSMUAOVJDMIW-QWRGUYRKSA-N 0 1 330.381 2.981 20 5 EFBDMN CCN1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268285386 474907094 /nfs/dbraw/zinc/90/70/94/474907094.db2.gz XGMBXSMKGPZVHO-AWEZNQCLSA-N 0 1 325.796 2.739 20 5 EFBDMN CCc1nocc1CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293323455 474927608 /nfs/dbraw/zinc/92/76/08/474927608.db2.gz GCGLVRYSZGEHND-UHFFFAOYSA-N 0 1 332.360 2.606 20 5 EFBDMN Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n[nH]1 ZINC000613861757 480134950 /nfs/dbraw/zinc/13/49/50/480134950.db2.gz DTLSYGUUDQKWGH-UHFFFAOYSA-N 0 1 343.265 2.967 20 5 EFBDMN CCOc1cc(N2CCN(CCCCF)CC2)ccc1[N+](=O)[O-] ZINC000285238032 474940340 /nfs/dbraw/zinc/94/03/40/474940340.db2.gz HPFVDLXPCINOCU-UHFFFAOYSA-N 0 1 325.384 2.865 20 5 EFBDMN COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339120491 474946686 /nfs/dbraw/zinc/94/66/86/474946686.db2.gz PSUUAZTZUQNEOD-MRXNPFEDSA-N 0 1 330.384 2.990 20 5 EFBDMN C[C@H](NCc1ccc2c(c1)NC(=O)CO2)c1cccc([N+](=O)[O-])c1 ZINC000326376728 475003437 /nfs/dbraw/zinc/00/34/37/475003437.db2.gz KYHAKBHJBUHLIH-NSHDSACASA-N 0 1 327.340 2.777 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN1CCc2ccccc2[C@H]1CO ZINC000268483043 475006955 /nfs/dbraw/zinc/00/69/55/475006955.db2.gz LRBPNFGVOLHXQT-QGZVFWFLSA-N 0 1 328.368 2.565 20 5 EFBDMN CSC[C@@H]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000292415279 475014149 /nfs/dbraw/zinc/01/41/49/475014149.db2.gz MJSGINJVISCVMX-CYBMUJFWSA-N 0 1 349.456 2.559 20 5 EFBDMN CCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)O ZINC000268504129 475019381 /nfs/dbraw/zinc/01/93/81/475019381.db2.gz BBRQYVHEUZEEAR-UHFFFAOYSA-N 0 1 343.811 2.670 20 5 EFBDMN NC1(c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)CCC1 ZINC000261710279 475035810 /nfs/dbraw/zinc/03/58/10/475035810.db2.gz IVRJEDLYHVKHOR-UHFFFAOYSA-N 0 1 339.149 2.745 20 5 EFBDMN COCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000339220186 475052633 /nfs/dbraw/zinc/05/26/33/475052633.db2.gz XZRWCLYXDKPYLL-ZDUSSCGKSA-N 0 1 326.418 2.644 20 5 EFBDMN COCCn1cc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000337554158 475122707 /nfs/dbraw/zinc/12/27/07/475122707.db2.gz QECHSITYHCSMHK-QGZVFWFLSA-N 0 1 344.415 2.950 20 5 EFBDMN CCS(=O)(=O)c1cccc(CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000341539947 475127271 /nfs/dbraw/zinc/12/72/71/475127271.db2.gz WZKFOLSFGNIEHW-UHFFFAOYSA-N 0 1 334.397 2.678 20 5 EFBDMN CO[C@@H]1[C@H](C)[C@@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000296009099 475165256 /nfs/dbraw/zinc/16/52/56/475165256.db2.gz MLUAKFWHSGLCDC-VCTAVGKDSA-N 0 1 346.387 2.794 20 5 EFBDMN COc1cc(-c2nc([C@@H](N)CC(C)C)no2)c([N+](=O)[O-])cc1OC ZINC000339389447 475186383 /nfs/dbraw/zinc/18/63/83/475186383.db2.gz QTEOIIWGBMKCAO-JTQLQIEISA-N 0 1 336.348 2.708 20 5 EFBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ncc(C(F)(F)F)[nH]1 ZINC000337641292 475205606 /nfs/dbraw/zinc/20/56/06/475205606.db2.gz YCAFCHZFJIUPFI-UHFFFAOYSA-N 0 1 343.265 2.777 20 5 EFBDMN Cc1c(CC(=O)Nc2ncc(C(F)(F)F)[nH]2)cccc1[N+](=O)[O-] ZINC000337669685 475223939 /nfs/dbraw/zinc/22/39/39/475223939.db2.gz YSUGGVJJLMUPCZ-UHFFFAOYSA-N 0 1 328.250 2.826 20 5 EFBDMN CC(=O)N[C@@H](C)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000361156515 475229583 /nfs/dbraw/zinc/22/95/83/475229583.db2.gz SHIZSGSFDZUCFD-VSKVDJIOSA-N 0 1 331.416 2.845 20 5 EFBDMN C[C@]12CCCN1C[C@@H](c1noc(-c3ccc(F)cc3[N+](=O)[O-])n1)OC2 ZINC000347323429 475229935 /nfs/dbraw/zinc/22/99/35/475229935.db2.gz PTANVXRVMMQSOZ-XJKSGUPXSA-N 0 1 348.334 2.710 20 5 EFBDMN CC(=O)N[C@H](C)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000361156506 475230022 /nfs/dbraw/zinc/23/00/22/475230022.db2.gz SHIZSGSFDZUCFD-BRLPQQTGSA-N 0 1 331.416 2.845 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000347331684 475237924 /nfs/dbraw/zinc/23/79/24/475237924.db2.gz FWHOUEHHBJHIIL-OJNOIJSXSA-N 0 1 329.400 2.741 20 5 EFBDMN O=C1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CN1c1ccccc1F ZINC000361226331 475284220 /nfs/dbraw/zinc/28/42/20/475284220.db2.gz ASOVFRRZCGBBFL-CYBMUJFWSA-N 0 1 329.331 2.629 20 5 EFBDMN COCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000361262191 475310652 /nfs/dbraw/zinc/31/06/52/475310652.db2.gz RPOAMQZSMLTUFM-NEPJUHHUSA-N 0 1 338.408 2.719 20 5 EFBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000345635085 475323073 /nfs/dbraw/zinc/32/30/73/475323073.db2.gz VRYQVSRQTOQDDD-UHFFFAOYSA-N 0 1 342.714 2.627 20 5 EFBDMN CC[C@H](NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(F)(F)F ZINC000345642602 475329268 /nfs/dbraw/zinc/32/92/68/475329268.db2.gz MHXOXMZEWAIGJS-JTQLQIEISA-N 0 1 326.296 2.522 20 5 EFBDMN CC1CCN(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000345658275 475343700 /nfs/dbraw/zinc/34/37/00/475343700.db2.gz OBCOHXUMMYJWBQ-QGZVFWFLSA-N 0 1 349.456 2.901 20 5 EFBDMN CSCC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N(C)C ZINC000352495030 475349452 /nfs/dbraw/zinc/34/94/52/475349452.db2.gz IBXDSOUQBGFCEC-JSGCOSHPSA-N 0 1 339.461 2.764 20 5 EFBDMN CC[C@H](N[C@@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352496576 475350402 /nfs/dbraw/zinc/35/04/02/475350402.db2.gz XFIPVQHKVVVAHY-KBPBESRZSA-N 0 1 325.434 2.503 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339618719 475352156 /nfs/dbraw/zinc/35/21/56/475352156.db2.gz JAEQZAWFMISBKH-JHJVBQTASA-N 0 1 345.403 2.730 20 5 EFBDMN C[C@H](NCC(=O)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000296537059 475360575 /nfs/dbraw/zinc/36/05/75/475360575.db2.gz DTUWRHLNYBLDQL-ZDUSSCGKSA-N 0 1 325.368 2.835 20 5 EFBDMN O=C(CCN1CCO[C@@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331652505 475364474 /nfs/dbraw/zinc/36/44/74/475364474.db2.gz KKWMNWLJLDXRIK-HZPDHXFCSA-N 0 1 333.388 2.567 20 5 EFBDMN CC1=CCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358063750 475370054 /nfs/dbraw/zinc/37/00/54/475370054.db2.gz ZYKJFZJOLHEYQX-UHFFFAOYSA-N 0 1 349.406 2.780 20 5 EFBDMN Cc1nc([C@@H]2CCCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)sc1C ZINC000331785045 475411868 /nfs/dbraw/zinc/41/18/68/475411868.db2.gz GWXUWDZGCZNIAD-LLVKDONJSA-N 0 1 349.416 2.719 20 5 EFBDMN Cc1nc(NC[C@H](C)N2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000296668175 475421178 /nfs/dbraw/zinc/42/11/78/475421178.db2.gz ZDNUQDGZIXPTER-LBPRGKRZSA-N 0 1 327.388 2.552 20 5 EFBDMN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCOC1 ZINC000348145956 475425153 /nfs/dbraw/zinc/42/51/53/475425153.db2.gz MKSWCRNCZZCGAH-WCQYABFASA-N 0 1 332.360 2.550 20 5 EFBDMN CC(C)[C@]1(CO)CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339706649 475430430 /nfs/dbraw/zinc/43/04/30/475430430.db2.gz VTJBCCSNVDUYTA-RDTXWAMCSA-N 0 1 349.431 2.652 20 5 EFBDMN Cc1cc(F)c(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000296698812 475437373 /nfs/dbraw/zinc/43/73/73/475437373.db2.gz KIHMNSOBZWDGAT-GFCCVEGCSA-N 0 1 348.338 2.920 20 5 EFBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000345778191 475443682 /nfs/dbraw/zinc/44/36/82/475443682.db2.gz LEOMHAFAWVTKMK-YOEHRIQHSA-N 0 1 348.447 2.998 20 5 EFBDMN CN1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000341973394 475463051 /nfs/dbraw/zinc/46/30/51/475463051.db2.gz GGWSWMOGBWXYPN-SFHVURJKSA-N 0 1 325.412 2.954 20 5 EFBDMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331953482 475467138 /nfs/dbraw/zinc/46/71/38/475467138.db2.gz KVIFXSBTXDXFCJ-PEYYIBSZSA-N 0 1 334.372 2.607 20 5 EFBDMN O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)c(Cl)c1 ZINC000339756201 475473135 /nfs/dbraw/zinc/47/31/35/475473135.db2.gz CHAFWLOMKVHILM-HOTGVXAUSA-N 0 1 340.807 2.658 20 5 EFBDMN CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCC(C)(C)C1 ZINC000361471165 475477615 /nfs/dbraw/zinc/47/76/15/475477615.db2.gz XPUJVXXSBGGLBC-LLVKDONJSA-N 0 1 349.387 2.773 20 5 EFBDMN CN(C)Cc1ccnc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000342002655 475496517 /nfs/dbraw/zinc/49/65/17/475496517.db2.gz JRTJHLQWDSNMHL-UHFFFAOYSA-N 0 1 342.399 2.968 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)n[nH]1 ZINC000296903036 475529104 /nfs/dbraw/zinc/52/91/04/475529104.db2.gz XZFZDVFBWVYWSW-MRVPVSSYSA-N 0 1 336.327 2.606 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)n[nH]1 ZINC000296903042 475529164 /nfs/dbraw/zinc/52/91/64/475529164.db2.gz XZFZDVFBWVYWSW-QMMMGPOBSA-N 0 1 336.327 2.606 20 5 EFBDMN NC(=O)C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332202510 475555011 /nfs/dbraw/zinc/55/50/11/475555011.db2.gz GLWPFRCTARAOAQ-ZDUSSCGKSA-N 0 1 335.360 2.741 20 5 EFBDMN Cc1c(CN[C@@H](C)CS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000358307798 475578413 /nfs/dbraw/zinc/57/84/13/475578413.db2.gz IDWHDXRRMCSIDU-ZDUSSCGKSA-N 0 1 348.424 2.855 20 5 EFBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C2CCOCC2)C1 ZINC000332259840 475579332 /nfs/dbraw/zinc/57/93/32/475579332.db2.gz AXXUWPXEXAGPIZ-ZFWWWQNUSA-N 0 1 347.415 2.670 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C2CCOCC2)C1 ZINC000332266286 475580043 /nfs/dbraw/zinc/58/00/43/475580043.db2.gz BXZASDWOVOLYHM-OAHLLOKOSA-N 0 1 347.415 2.590 20 5 EFBDMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NCc1c([N+](=O)[O-])ncn1C ZINC000348306068 475580241 /nfs/dbraw/zinc/58/02/41/475580241.db2.gz WWSZLQMLWYTRGB-INIZCTEOSA-N 0 1 345.447 2.575 20 5 EFBDMN CSC[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000332307008 475595367 /nfs/dbraw/zinc/59/53/67/475595367.db2.gz LQJZTZUTJVOBAD-ZDUSSCGKSA-N 0 1 349.456 2.559 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1C ZINC000332320528 475599574 /nfs/dbraw/zinc/59/95/74/475599574.db2.gz RHFOPTUJYBEGQB-INIZCTEOSA-N 0 1 342.399 2.555 20 5 EFBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC(c2cnc[nH]2)CC1 ZINC000332405158 475628017 /nfs/dbraw/zinc/62/80/17/475628017.db2.gz OUHDSELDEMUYCV-UHFFFAOYSA-N 0 1 333.323 2.869 20 5 EFBDMN C[C@H](NC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000332436330 475636921 /nfs/dbraw/zinc/63/69/21/475636921.db2.gz GVZNNYGFXJNPLU-ZQIUZPCESA-N 0 1 346.431 2.924 20 5 EFBDMN CC(C)c1ccc(CN2CC[C@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000332489682 475652063 /nfs/dbraw/zinc/65/20/63/475652063.db2.gz ACLHBTXOJCVKOZ-ZWKOTPCHSA-N 0 1 333.432 2.623 20 5 EFBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342894762 475652584 /nfs/dbraw/zinc/65/25/84/475652584.db2.gz OSGASRUHOJNQFV-GFCCVEGCSA-N 0 1 325.328 2.607 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332505961 475654585 /nfs/dbraw/zinc/65/45/85/475654585.db2.gz IEAZKWMTGUDLGV-LSDHHAIUSA-N 0 1 331.416 2.910 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000332505961 475654589 /nfs/dbraw/zinc/65/45/89/475654589.db2.gz IEAZKWMTGUDLGV-LSDHHAIUSA-N 0 1 331.416 2.910 20 5 EFBDMN C[C@H](N[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000297215764 475661488 /nfs/dbraw/zinc/66/14/88/475661488.db2.gz GXQQLXQURRIYKG-RYUDHWBXSA-N 0 1 349.412 2.654 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000343000306 475688067 /nfs/dbraw/zinc/68/80/67/475688067.db2.gz LGFXDAYDILACGA-QMMMGPOBSA-N 0 1 337.767 2.981 20 5 EFBDMN COc1cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000358499786 475727294 /nfs/dbraw/zinc/72/72/94/475727294.db2.gz UAYSVNYTWBBRMR-OLZOCXBDSA-N 0 1 349.431 2.905 20 5 EFBDMN CC(C)CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000346661243 475741941 /nfs/dbraw/zinc/74/19/41/475741941.db2.gz UELULTCKUFIYKT-AWEZNQCLSA-N 0 1 344.415 2.912 20 5 EFBDMN CC(C)(C(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000343102335 475770494 /nfs/dbraw/zinc/77/04/94/475770494.db2.gz INOXOMWNVHCMEV-CYBMUJFWSA-N 0 1 328.372 2.789 20 5 EFBDMN C[C@H](NC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297472577 475770436 /nfs/dbraw/zinc/77/04/36/475770436.db2.gz UVXKMGNOFIOTAK-KBPBESRZSA-N 0 1 346.431 2.782 20 5 EFBDMN C[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338334935 475798227 /nfs/dbraw/zinc/79/82/27/475798227.db2.gz UCGHKKGJRRQIOF-ZNMIVQPWSA-N 0 1 333.432 2.857 20 5 EFBDMN CC(C)CN1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297575060 475813986 /nfs/dbraw/zinc/81/39/86/475813986.db2.gz LMUZANCKCBNQGP-AWEZNQCLSA-N 0 1 334.420 2.639 20 5 EFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338359516 475823968 /nfs/dbraw/zinc/82/39/68/475823968.db2.gz OBCBCDJETSHBIF-CHWSQXEVSA-N 0 1 345.403 2.984 20 5 EFBDMN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000338365813 475829819 /nfs/dbraw/zinc/82/98/19/475829819.db2.gz GVTVRPNCRBFDIL-NSHDSACASA-N 0 1 332.335 2.808 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000340210989 475860958 /nfs/dbraw/zinc/86/09/58/475860958.db2.gz OQDWHGBNAMAJCJ-KBPBESRZSA-N 0 1 348.321 2.751 20 5 EFBDMN CC[C@H](C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000343219634 475864300 /nfs/dbraw/zinc/86/43/00/475864300.db2.gz XXMFIWZDWYEVCH-TVQRCGJNSA-N 0 1 342.359 2.711 20 5 EFBDMN CCC[C@H](NCc1ccc(C(N)=O)nc1)c1cccc([N+](=O)[O-])c1 ZINC000361924399 475870442 /nfs/dbraw/zinc/87/04/42/475870442.db2.gz NGRHWTFAFNMFJE-HNNXBMFYSA-N 0 1 328.372 2.720 20 5 EFBDMN O=[N+]([O-])c1ccccc1CCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340247886 475886918 /nfs/dbraw/zinc/88/69/18/475886918.db2.gz QJBLXJKFUCJBOL-MRXNPFEDSA-N 0 1 341.346 2.774 20 5 EFBDMN COCC1(C)CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000358738241 475895294 /nfs/dbraw/zinc/89/52/94/475895294.db2.gz DIAQZWRKDKFQIV-CYBMUJFWSA-N 0 1 335.404 2.670 20 5 EFBDMN C[C@H](NCc1ccc(N2CCOCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000297839915 475902456 /nfs/dbraw/zinc/90/24/56/475902456.db2.gz WLZGTKHMPHUMKI-AWEZNQCLSA-N 0 1 342.399 2.677 20 5 EFBDMN CCC[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346840691 475903873 /nfs/dbraw/zinc/90/38/73/475903873.db2.gz UXQMXWVLYYHUNU-JKSUJKDBSA-N 0 1 340.445 2.993 20 5 EFBDMN O=[N+]([O-])c1cccc(N2CCN(Cc3cccc4c3NCC4)CC2)c1 ZINC000346856990 475917683 /nfs/dbraw/zinc/91/76/83/475917683.db2.gz PYWUUGYGOGNNPC-UHFFFAOYSA-N 0 1 338.411 2.885 20 5 EFBDMN C[C@@H]1C[C@@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000353396503 475934811 /nfs/dbraw/zinc/93/48/11/475934811.db2.gz UBLAHAKZXZUDPS-KEYYUXOJSA-N 0 1 344.415 2.822 20 5 EFBDMN Cc1nc2cccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c2[nH]1 ZINC000338504639 475961674 /nfs/dbraw/zinc/96/16/74/475961674.db2.gz DWXPQBMOGKXESF-UHFFFAOYSA-N 0 1 339.355 2.621 20 5 EFBDMN Cc1nc([C@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n[nH]1 ZINC000343341097 475965521 /nfs/dbraw/zinc/96/55/21/475965521.db2.gz ISFOGDVDQLBIOP-JTQLQIEISA-N 0 1 347.378 2.599 20 5 EFBDMN O=C(NC1(C(F)(F)F)CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000349524962 475976342 /nfs/dbraw/zinc/97/63/42/475976342.db2.gz MIEUSLHTIJCFDX-UHFFFAOYSA-N 0 1 328.250 2.686 20 5 EFBDMN Cc1nc([C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 ZINC000343357729 475981886 /nfs/dbraw/zinc/98/18/86/475981886.db2.gz FOFUANGUDMURQN-SSDOTTSWSA-N 0 1 331.357 2.727 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C(=O)N1Cc2ccccc2C1 ZINC000355513265 475996948 /nfs/dbraw/zinc/99/69/48/475996948.db2.gz LIYRNNXENYZAFH-CQSZACIVSA-N 0 1 339.395 2.924 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1cccnc1 ZINC000346968630 475997866 /nfs/dbraw/zinc/99/78/66/475997866.db2.gz LGFGDRDQFBZKIL-JKSUJKDBSA-N 0 1 343.383 2.567 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2c2cccnc2)c1 ZINC000346971760 475999801 /nfs/dbraw/zinc/99/98/01/475999801.db2.gz NTSQAHFLSHWAEP-AEFFLSMTSA-N 0 1 343.383 2.567 20 5 EFBDMN COCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000362250460 476113626 /nfs/dbraw/zinc/11/36/26/476113626.db2.gz MJGJCEUGPBPVQR-OAHLLOKOSA-N 0 1 347.415 2.838 20 5 EFBDMN O=C(CNC/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000338703970 476120170 /nfs/dbraw/zinc/12/01/70/476120170.db2.gz BCDNLIGCIGZDEJ-GQCTYLIASA-N 0 1 329.331 2.975 20 5 EFBDMN COc1ccc(C)cc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353717362 476213761 /nfs/dbraw/zinc/21/37/61/476213761.db2.gz VSBBGKFVJCMEHI-HNNXBMFYSA-N 0 1 342.399 2.993 20 5 EFBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000360616086 476317811 /nfs/dbraw/zinc/31/78/11/476317811.db2.gz DOJKXBGFYOPFQP-ZCFIWIBFSA-N 0 1 339.200 2.978 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000353920960 476325192 /nfs/dbraw/zinc/32/51/92/476325192.db2.gz HAUNSTXARUPGOI-INIZCTEOSA-N 0 1 334.420 2.961 20 5 EFBDMN C[C@@H]1COCC[C@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353978485 476344509 /nfs/dbraw/zinc/34/45/09/476344509.db2.gz LJECUCBTDKYJSI-KMFMINBZSA-N 0 1 344.415 2.680 20 5 EFBDMN O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000357382929 476352109 /nfs/dbraw/zinc/35/21/09/476352109.db2.gz FOYQOPRHYXBPRO-WBMJQRKESA-N 0 1 336.351 2.832 20 5 EFBDMN O=C(Cc1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1)Nc1ccccc1 ZINC000362726796 476371468 /nfs/dbraw/zinc/37/14/68/476371468.db2.gz WKVHKCZEZXHUSW-UHFFFAOYSA-N 0 1 340.295 2.532 20 5 EFBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000363537812 476427870 /nfs/dbraw/zinc/42/78/70/476427870.db2.gz FZPOHSRVEOYSLX-UHFFFAOYSA-N 0 1 349.310 2.509 20 5 EFBDMN COc1ccc(-c2n[nH]c(CNc3nccc(C)c3[N+](=O)[O-])n2)cc1 ZINC000363539373 476427998 /nfs/dbraw/zinc/42/79/98/476427998.db2.gz JVUZAOHZUXPAHM-UHFFFAOYSA-N 0 1 340.343 2.704 20 5 EFBDMN COc1ccc(-c2nc(CNc3nccc(C)c3[N+](=O)[O-])n[nH]2)cc1 ZINC000363539373 476428000 /nfs/dbraw/zinc/42/80/00/476428000.db2.gz JVUZAOHZUXPAHM-UHFFFAOYSA-N 0 1 340.343 2.704 20 5 EFBDMN Cc1nc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000360901942 476466631 /nfs/dbraw/zinc/46/66/31/476466631.db2.gz ZLWGHDXPNYSKLO-VXGBXAGGSA-N 0 1 335.747 2.585 20 5 EFBDMN COc1cc(CN(CCO)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000351638721 476486169 /nfs/dbraw/zinc/48/61/69/476486169.db2.gz YMVQJPPNVUFRIC-YPMHNXCESA-N 0 1 326.368 2.725 20 5 EFBDMN CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354199672 476495949 /nfs/dbraw/zinc/49/59/49/476495949.db2.gz GVTDKOJPIAAKKC-ZDUSSCGKSA-N 0 1 335.404 2.541 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CC=CCC1 ZINC000357633208 476502488 /nfs/dbraw/zinc/50/24/88/476502488.db2.gz KVBZRLCRUUANTC-MRXNPFEDSA-N 0 1 331.416 2.542 20 5 EFBDMN Cn1ccnc1[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000365632631 476656389 /nfs/dbraw/zinc/65/63/89/476656389.db2.gz SWKYKGKIFCYFGM-LBPRGKRZSA-N 0 1 341.371 2.849 20 5 EFBDMN COc1ccc(C[C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000365727147 476681388 /nfs/dbraw/zinc/68/13/88/476681388.db2.gz XLXPFIDGEPPWEO-INIZCTEOSA-N 0 1 344.415 2.755 20 5 EFBDMN CN1Cc2ccccc2[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000378267586 476688387 /nfs/dbraw/zinc/68/83/87/476688387.db2.gz DIUYVLDECKKBDY-GFCCVEGCSA-N 0 1 329.385 2.903 20 5 EFBDMN C[C@@H]1CC[C@H](N(CCO)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429790868 476689554 /nfs/dbraw/zinc/68/95/54/476689554.db2.gz SDPFGDVRIUTXPY-DOMZBBRYSA-N 0 1 346.387 2.628 20 5 EFBDMN Cc1sc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378306532 476692194 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ZINC000451409220 477998261 /nfs/dbraw/zinc/99/82/61/477998261.db2.gz AAWPRDRNTRJGHV-CXUGXGMPSA-N 0 1 347.415 2.547 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]3[C@@H]3CCC[C@H]3O)nc2c1 ZINC000451420212 478006925 /nfs/dbraw/zinc/00/69/25/478006925.db2.gz NAQWKWBBYSNDGR-APHBMKBZSA-N 0 1 330.388 2.597 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000439898251 478044185 /nfs/dbraw/zinc/04/41/85/478044185.db2.gz IKYQCOFOVPMRCE-VIFPVBQESA-N 0 1 348.363 2.557 20 5 EFBDMN CO[C@H]1C[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451490345 478048625 /nfs/dbraw/zinc/04/86/25/478048625.db2.gz HVDJVAWCDUVGAE-STQMWFEESA-N 0 1 332.360 2.548 20 5 EFBDMN CO[C@@H]1[C@H](C)[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000451504615 478055522 /nfs/dbraw/zinc/05/55/22/478055522.db2.gz JLAKDYTWOMFCLK-WKPIXPDZSA-N 0 1 346.387 2.794 20 5 EFBDMN C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000517241085 478070766 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EFBDMN CCC1CCC(N(CCO)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000488241374 478133728 /nfs/dbraw/zinc/13/37/28/478133728.db2.gz DSBZAMSLIJJIOR-UHFFFAOYSA-N 0 1 349.431 2.796 20 5 EFBDMN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451632207 478133932 /nfs/dbraw/zinc/13/39/32/478133932.db2.gz NNRLYNGFLXPBPI-ZLKJLUDKSA-N 0 1 332.360 2.863 20 5 EFBDMN C[C@@H]1CC[C@@H](N(CCO)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429762830 478187845 /nfs/dbraw/zinc/18/78/45/478187845.db2.gz QUCVIPBHKHDHGF-IUODEOHRSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@H]1CC[C@H](N(CCO)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429770521 478189635 /nfs/dbraw/zinc/18/96/35/478189635.db2.gz GFQAECFULSHXRN-JSGCOSHPSA-N 0 1 346.387 2.628 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2NC)n[nH]1 ZINC000489240371 478227311 /nfs/dbraw/zinc/22/73/11/478227311.db2.gz MLFXRGDWPHTQPQ-UWVGGRQHSA-N 0 1 346.391 2.759 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2NC)n[nH]1 ZINC000489240372 478227597 /nfs/dbraw/zinc/22/75/97/478227597.db2.gz MLFXRGDWPHTQPQ-VHSXEESVSA-N 0 1 346.391 2.759 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000489352276 478235956 /nfs/dbraw/zinc/23/59/56/478235956.db2.gz PEFQFMCBIMSKFU-BLLLJJGKSA-N 0 1 337.395 2.636 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000562347031 478236335 /nfs/dbraw/zinc/23/63/35/478236335.db2.gz JRECODYYENSEOE-MNOVXSKESA-N 0 1 346.391 2.787 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000489373945 478238603 /nfs/dbraw/zinc/23/86/03/478238603.db2.gz NFIFHCAJISEDFK-INIZCTEOSA-N 0 1 333.432 2.671 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489398736 478240594 /nfs/dbraw/zinc/24/05/94/478240594.db2.gz SZUDPDVQVFYANY-AEFFLSMTSA-N 0 1 347.459 2.962 20 5 EFBDMN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(-c2ccoc2)n[nH]1 ZINC000536253267 478245619 /nfs/dbraw/zinc/24/56/19/478245619.db2.gz MVNZHVIRHCKETN-UHFFFAOYSA-N 0 1 338.283 2.707 20 5 EFBDMN CO[C@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000590721672 478307677 /nfs/dbraw/zinc/30/76/77/478307677.db2.gz BMWFJAMFJLNHNV-AWEZNQCLSA-N 0 1 344.371 2.626 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)nc2c1 ZINC000590756610 478322610 /nfs/dbraw/zinc/32/26/10/478322610.db2.gz WPTQBZNSUBXTGO-LYRGGWFBSA-N 0 1 329.356 2.783 20 5 EFBDMN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000590758122 478323062 /nfs/dbraw/zinc/32/30/62/478323062.db2.gz QEIIKKDUCPKXHB-OLZOCXBDSA-N 0 1 347.371 2.948 20 5 EFBDMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000520594797 478328858 /nfs/dbraw/zinc/32/88/58/478328858.db2.gz SBDGGLGNTKJXFO-KRWDZBQOSA-N 0 1 342.351 2.658 20 5 EFBDMN Cc1ccc2c(c1)[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])CO2 ZINC000579582005 478330447 /nfs/dbraw/zinc/33/04/47/478330447.db2.gz FHAADNJNFAXVLW-OAHLLOKOSA-N 0 1 341.367 2.955 20 5 EFBDMN O=C1[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H]2CCCCN12 ZINC000590780363 478335024 /nfs/dbraw/zinc/33/50/24/478335024.db2.gz COFJMWKLGAPBLG-IAOVAPTHSA-N 0 1 329.400 2.715 20 5 EFBDMN CCC(C)(C)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000594389436 478357366 /nfs/dbraw/zinc/35/73/66/478357366.db2.gz HYHTWUQVYCFTBY-UHFFFAOYSA-N 0 1 334.420 2.583 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](OC2CCC2)C1 ZINC000594390927 478359042 /nfs/dbraw/zinc/35/90/42/478359042.db2.gz YWCFXUCRWNXLKG-CYBMUJFWSA-N 0 1 344.371 2.645 20 5 EFBDMN Cc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570454958 478363827 /nfs/dbraw/zinc/36/38/27/478363827.db2.gz SJWNZIVNVYMTFI-ZDUSSCGKSA-N 0 1 335.404 2.912 20 5 EFBDMN CS(=O)(=O)c1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594506439 478417632 /nfs/dbraw/zinc/41/76/32/478417632.db2.gz RFSZRHXPFQKJAH-INIZCTEOSA-N 0 1 346.408 2.775 20 5 EFBDMN COc1ccc(CN[C@@H]2CCc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000594512216 478420300 /nfs/dbraw/zinc/42/03/00/478420300.db2.gz VAQWXLREGYUMBS-OAHLLOKOSA-N 0 1 341.367 2.647 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594585645 478448635 /nfs/dbraw/zinc/44/86/35/478448635.db2.gz NEXNQGOXTPJWAL-OAHLLOKOSA-N 0 1 334.372 2.827 20 5 EFBDMN O=[N+]([O-])c1c(NCc2n[nH]c([C@@H]3CCCO3)n2)ccc2ncccc21 ZINC000594589413 478450524 /nfs/dbraw/zinc/45/05/24/478450524.db2.gz JOIXUJGBOXMKDF-ZDUSSCGKSA-N 0 1 340.343 2.725 20 5 EFBDMN O=[N+]([O-])c1cccc2c(NCc3n[nH]c([C@@H]4CCCO4)n3)ccnc21 ZINC000594589400 478451212 /nfs/dbraw/zinc/45/12/12/478451212.db2.gz IYNBUBLIHXBJQE-ZDUSSCGKSA-N 0 1 340.343 2.725 20 5 EFBDMN Cc1cc(C)c(S(=O)(=O)Nc2cccc3c2OCC3)cc1[N+](=O)[O-] ZINC000600661600 478458034 /nfs/dbraw/zinc/45/80/34/478458034.db2.gz YOXRDUJZXVLXKV-UHFFFAOYSA-N 0 1 348.380 2.947 20 5 EFBDMN CC(=O)[C@@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000597708700 478473057 /nfs/dbraw/zinc/47/30/57/478473057.db2.gz OMIWFJOYLGITDJ-INIZCTEOSA-N 0 1 342.355 2.569 20 5 EFBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000597726448 478481617 /nfs/dbraw/zinc/48/16/17/478481617.db2.gz CHNSQOSBFPZXTJ-NSHDSACASA-N 0 1 344.375 2.592 20 5 EFBDMN O=C([O-])c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000582067720 478502147 /nfs/dbraw/zinc/50/21/47/478502147.db2.gz FWESZLNRCMOREV-UHFFFAOYSA-N 0 1 327.340 2.853 20 5 EFBDMN O=C([O-])c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000582067720 478502151 /nfs/dbraw/zinc/50/21/51/478502151.db2.gz FWESZLNRCMOREV-UHFFFAOYSA-N 0 1 327.340 2.853 20 5 EFBDMN CO[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C1CCCC1 ZINC000594719788 478513232 /nfs/dbraw/zinc/51/32/32/478513232.db2.gz GVZCJTVTJBFYSN-HNNXBMFYSA-N 0 1 342.417 2.850 20 5 EFBDMN COc1ccc([C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000600815190 478532019 /nfs/dbraw/zinc/53/20/19/478532019.db2.gz YHQKUBYGLMCVQM-INIZCTEOSA-N 0 1 343.339 2.585 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000571213885 478545338 /nfs/dbraw/zinc/54/53/38/478545338.db2.gz PYIGXJMUAATZKG-CYBMUJFWSA-N 0 1 348.403 2.897 20 5 EFBDMN CSCC1(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000594821997 478553035 /nfs/dbraw/zinc/55/30/35/478553035.db2.gz XJVWARXHZNIGEM-UHFFFAOYSA-N 0 1 348.421 2.546 20 5 EFBDMN Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563814218 478638071 /nfs/dbraw/zinc/63/80/71/478638071.db2.gz RZIWZWVXTHYDTI-LALPHHSUSA-N 0 1 347.415 2.768 20 5 EFBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000564093987 478693115 /nfs/dbraw/zinc/69/31/15/478693115.db2.gz UXLBTEJOLJBNOW-KCJUWKMLSA-N 0 1 332.278 2.909 20 5 EFBDMN COc1ccccc1C[C@](C)(CO)NCc1csc([N+](=O)[O-])c1 ZINC000601153453 478693539 /nfs/dbraw/zinc/69/35/39/478693539.db2.gz OCERAUIEDOLUNC-MRXNPFEDSA-N 0 1 336.413 2.748 20 5 EFBDMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564094681 478693827 /nfs/dbraw/zinc/69/38/27/478693827.db2.gz UOEURQLKMXIUSZ-AWEZNQCLSA-N 0 1 331.328 2.689 20 5 EFBDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000571895174 478704167 /nfs/dbraw/zinc/70/41/67/478704167.db2.gz MIWOWCGKFLWJHF-MEDUHNTESA-N 0 1 346.412 2.771 20 5 EFBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2ccc(F)cc2F)cc1 ZINC000542927722 478707793 /nfs/dbraw/zinc/70/77/93/478707793.db2.gz DUJRKCQAJBVYQP-UHFFFAOYSA-N 0 1 328.296 2.815 20 5 EFBDMN O=C([O-])[C@]12C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000595279682 478710956 /nfs/dbraw/zinc/71/09/56/478710956.db2.gz WHAXDLDFJZRXMX-CXAGYDPISA-N 0 1 334.372 2.550 20 5 EFBDMN COC1([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000595279610 478711001 /nfs/dbraw/zinc/71/10/01/478711001.db2.gz SEMVAULFRGMZCK-ZBFHGGJFSA-N 0 1 348.399 2.797 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C(=O)[O-] ZINC000595279022 478711058 /nfs/dbraw/zinc/71/10/58/478711058.db2.gz BBIHAIKCGGVVDK-ABAIWWIYSA-N 0 1 345.355 2.792 20 5 EFBDMN C[C@]12CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000595279485 478711238 /nfs/dbraw/zinc/71/12/38/478711238.db2.gz QLJHUJHXLMBCRG-OCCSQVGLSA-N 0 1 326.299 2.770 20 5 EFBDMN CCCCNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595297657 478721323 /nfs/dbraw/zinc/72/13/23/478721323.db2.gz INUHCKWRTIERHS-AWEZNQCLSA-N 0 1 337.395 2.862 20 5 EFBDMN Cc1ccc([C@H](C)NC[C@@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601293606 478769955 /nfs/dbraw/zinc/76/99/55/478769955.db2.gz IHBRNDSVXMHEKS-GXFFZTMASA-N 0 1 343.309 2.949 20 5 EFBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](n1cncn1)C(F)(F)F ZINC000601293642 478770345 /nfs/dbraw/zinc/77/03/45/478770345.db2.gz IJIPSGQQZKSICY-AAEUAGOBSA-N 0 1 341.293 2.567 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@@H](C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601300656 478774346 /nfs/dbraw/zinc/77/43/46/478774346.db2.gz ISPKZEXENZBBDH-RVBZMBCESA-N 0 1 336.310 2.956 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@H](C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601300657 478774647 /nfs/dbraw/zinc/77/46/47/478774647.db2.gz ISPKZEXENZBBDH-RWEMILLDSA-N 0 1 336.310 2.956 20 5 EFBDMN CC1(C)CCC(O)(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000598339377 478774849 /nfs/dbraw/zinc/77/48/49/478774849.db2.gz WOHXJNDMIRLVQZ-UHFFFAOYSA-N 0 1 346.387 2.532 20 5 EFBDMN COc1cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000583268693 478807352 /nfs/dbraw/zinc/80/73/52/478807352.db2.gz SFZLEWRVILMHOL-YDHLFZDLSA-N 0 1 334.372 2.821 20 5 EFBDMN COc1cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000583268691 478807500 /nfs/dbraw/zinc/80/75/00/478807500.db2.gz SFZLEWRVILMHOL-IPYPFGDCSA-N 0 1 334.372 2.821 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccccn1 ZINC000544144167 478813177 /nfs/dbraw/zinc/81/31/77/478813177.db2.gz ZQOYGIQIQMVASS-GOEBONIOSA-N 0 1 343.383 2.567 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC2(C[C@@H]1C)CCOCC2 ZINC000592182170 478815878 /nfs/dbraw/zinc/81/58/78/478815878.db2.gz LAPQEULJILIUTJ-AWEZNQCLSA-N 0 1 347.415 2.733 20 5 EFBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC2(C[C@@H]1C)CCOCC2 ZINC000592184029 478817715 /nfs/dbraw/zinc/81/77/15/478817715.db2.gz XRECKWRLOYNLPV-KBPBESRZSA-N 0 1 347.415 2.813 20 5 EFBDMN Cc1noc(CNC2(Cc3ccc(F)cc3)CCOCC2)c1[N+](=O)[O-] ZINC000595501608 478821531 /nfs/dbraw/zinc/82/15/31/478821531.db2.gz UPJOMTQHXYQDPE-UHFFFAOYSA-N 0 1 349.362 2.912 20 5 EFBDMN O=C(CCNCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccn1 ZINC000544371833 478830426 /nfs/dbraw/zinc/83/04/26/478830426.db2.gz ULUDTGWGZCQVIF-UHFFFAOYSA-N 0 1 334.763 2.762 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCCc2cn[nH]c21 ZINC000492120928 478833476 /nfs/dbraw/zinc/83/34/76/478833476.db2.gz VUTMAOGJQLYLLE-VUDGCMKMSA-N 0 1 330.319 2.664 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000544557128 478847292 /nfs/dbraw/zinc/84/72/92/478847292.db2.gz WIDIVOQPJSJRND-VHSXEESVSA-N 0 1 349.366 2.956 20 5 EFBDMN Cc1cc(C[C@@H](C)NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000492178173 478861938 /nfs/dbraw/zinc/86/19/38/478861938.db2.gz CKSAFMUCONHWSY-AYYIZTPMSA-N 0 1 332.335 2.526 20 5 EFBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCN1Cc1ccccc1 ZINC000598507915 478867918 /nfs/dbraw/zinc/86/79/18/478867918.db2.gz DPSOGDSTVGENSG-GOSISDBHSA-N 0 1 339.395 2.528 20 5 EFBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN1Cc1ccccc1 ZINC000598507918 478868271 /nfs/dbraw/zinc/86/82/71/478868271.db2.gz DPSOGDSTVGENSG-SFHVURJKSA-N 0 1 339.395 2.528 20 5 EFBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000592374447 478871977 /nfs/dbraw/zinc/87/19/77/478871977.db2.gz ICBMXKRCVSVKAG-OAHLLOKOSA-N 0 1 333.413 2.841 20 5 EFBDMN O=C([O-])CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000592423102 478890960 /nfs/dbraw/zinc/89/09/60/478890960.db2.gz KYLMPKSKDMMTQH-UHFFFAOYSA-N 0 1 342.779 2.704 20 5 EFBDMN C[C@H](CO)[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595670617 478927123 /nfs/dbraw/zinc/92/71/23/478927123.db2.gz GIEXPCTWFXHECS-DOMZBBRYSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CCO ZINC000595697613 478941515 /nfs/dbraw/zinc/94/15/15/478941515.db2.gz MASYMYHATLDKEC-DOMZBBRYSA-N 0 1 346.387 2.628 20 5 EFBDMN CC(C)Oc1nc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000565227077 478957524 /nfs/dbraw/zinc/95/75/24/478957524.db2.gz VAFUGCGZJJJMOX-SQWLQELKSA-N 0 1 348.447 2.944 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000583993983 478988275 /nfs/dbraw/zinc/98/82/75/478988275.db2.gz HDMNYWCIJLYAOT-IUODEOHRSA-N 0 1 336.388 2.925 20 5 EFBDMN CCCC[N@H+]1CCCC[C@@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573375043 479051943 /nfs/dbraw/zinc/05/19/43/479051943.db2.gz KZMIFTWBFJUGTL-CYBMUJFWSA-N 0 1 336.392 2.755 20 5 EFBDMN Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)cc1 ZINC000601882421 479055758 /nfs/dbraw/zinc/05/57/58/479055758.db2.gz YIUVQGOYMDGHPS-CQSZACIVSA-N 0 1 329.356 2.501 20 5 EFBDMN O=C(CCNCc1cnc(C2CC2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000565712926 479069109 /nfs/dbraw/zinc/06/91/09/479069109.db2.gz WSNKSBXBHGCFGJ-UHFFFAOYSA-N 0 1 330.344 2.579 20 5 EFBDMN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573452490 479073150 /nfs/dbraw/zinc/07/31/50/479073150.db2.gz ROLIVPVPGOELBW-LLVKDONJSA-N 0 1 333.344 2.935 20 5 EFBDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573452490 479073158 /nfs/dbraw/zinc/07/31/58/479073158.db2.gz ROLIVPVPGOELBW-LLVKDONJSA-N 0 1 333.344 2.935 20 5 EFBDMN O=C(c1cc2c(s1)CCNC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000595934485 479078682 /nfs/dbraw/zinc/07/86/82/479078682.db2.gz MGPIWBKKEKTCAX-UHFFFAOYSA-N 0 1 329.381 2.505 20 5 EFBDMN CCC(=O)N1CCCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000573504927 479082110 /nfs/dbraw/zinc/08/21/10/479082110.db2.gz GBNLXGZEHGCODG-NTCAYCPXSA-N 0 1 331.416 2.942 20 5 EFBDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000598937555 479091168 /nfs/dbraw/zinc/09/11/68/479091168.db2.gz SNAKTYVTOOTSTA-IUODEOHRSA-N 0 1 342.399 2.685 20 5 EFBDMN O=C1NCCc2ccc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])cc21 ZINC000584420970 479130035 /nfs/dbraw/zinc/13/00/35/479130035.db2.gz YLCRLLPQIZAPQZ-KRWDZBQOSA-N 0 1 337.379 2.658 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)CO1 ZINC000593063183 479152214 /nfs/dbraw/zinc/15/22/14/479152214.db2.gz RCFZKVGQNPSLIO-OCCSQVGLSA-N 0 1 335.404 2.731 20 5 EFBDMN O=[N+]([O-])c1cnc(NCC2(N3CCSCC3)CCCC2)c(F)c1 ZINC000584516507 479160833 /nfs/dbraw/zinc/16/08/33/479160833.db2.gz UUKULCUTUQNNEQ-UHFFFAOYSA-N 0 1 340.424 2.902 20 5 EFBDMN O=C(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])NCCc1ccccc1 ZINC000573862401 479162274 /nfs/dbraw/zinc/16/22/74/479162274.db2.gz KOTWYFCINREFHA-KRWDZBQOSA-N 0 1 339.395 2.531 20 5 EFBDMN O=C([O-])[C@H](c1cccnc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000584541696 479172999 /nfs/dbraw/zinc/17/29/99/479172999.db2.gz VLQNXQCTIZIKKX-RDJZCZTQSA-N 0 1 341.367 2.995 20 5 EFBDMN CC[C@@H]1CN(C)CCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584574905 479182961 /nfs/dbraw/zinc/18/29/61/479182961.db2.gz HSTHZCVWASFHMV-UKRRQHHQSA-N 0 1 334.420 2.700 20 5 EFBDMN COc1cc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000602998080 479187399 /nfs/dbraw/zinc/18/73/99/479187399.db2.gz WWQIKBXCOHDWMD-XPKDYRNWSA-N 0 1 338.379 2.868 20 5 EFBDMN CC[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000610786673 479188411 /nfs/dbraw/zinc/18/84/11/479188411.db2.gz IRASZGQLNQYOKJ-CQSZACIVSA-N 0 1 345.403 2.859 20 5 EFBDMN Cc1c(CNC(=O)CN(C)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000602149110 479202563 /nfs/dbraw/zinc/20/25/63/479202563.db2.gz RPNSSMSUFJKZAU-UHFFFAOYSA-N 0 1 341.411 2.694 20 5 EFBDMN C[C@@H]1[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000596235845 479215705 /nfs/dbraw/zinc/21/57/05/479215705.db2.gz NFWLISVEQQPQRI-TZMCWYRMSA-N 0 1 328.372 2.770 20 5 EFBDMN O=C(Nc1cccc(Cn2cccn2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610891246 479224670 /nfs/dbraw/zinc/22/46/70/479224670.db2.gz CPBSSSGSSVHJQQ-UHFFFAOYSA-N 0 1 338.323 2.798 20 5 EFBDMN C[C@H](C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000593189620 479230789 /nfs/dbraw/zinc/23/07/89/479230789.db2.gz VUBUMGYUUGUTEC-YVECIDJPSA-N 0 1 337.395 2.777 20 5 EFBDMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000593188234 479231029 /nfs/dbraw/zinc/23/10/29/479231029.db2.gz ZDAVJITUFIDNCR-YNEHKIRRSA-N 0 1 346.431 2.722 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2ccccn2)c1[N+](=O)[O-] ZINC000610920563 479232622 /nfs/dbraw/zinc/23/26/22/479232622.db2.gz WGNBYEPSYMTRNY-LBPRGKRZSA-N 0 1 329.360 2.814 20 5 EFBDMN C[C@H]1CN(c2cccc(Cl)c2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000584787334 479243531 /nfs/dbraw/zinc/24/35/31/479243531.db2.gz CNQOLADSAUANDL-ZDUSSCGKSA-N 0 1 349.822 2.655 20 5 EFBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000557174087 479262996 /nfs/dbraw/zinc/26/29/96/479262996.db2.gz OSVCQMRDSTZQQX-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN CC[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](CC)CO1 ZINC000593256563 479263561 /nfs/dbraw/zinc/26/35/61/479263561.db2.gz PJOKSHDZKZIESO-CMPLNLGQSA-N 0 1 332.360 2.501 20 5 EFBDMN Cc1cc(N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596373533 479270713 /nfs/dbraw/zinc/27/07/13/479270713.db2.gz PNKBMNBUIKPGKH-TUBUTJRMSA-N 0 1 347.440 2.975 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000593290506 479277995 /nfs/dbraw/zinc/27/79/95/479277995.db2.gz KQLCNMFQBAMEKC-ZDUSSCGKSA-N 0 1 349.387 2.561 20 5 EFBDMN CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611082422 479279698 /nfs/dbraw/zinc/27/96/98/479279698.db2.gz DDVLIQQFPGFNSG-JTQLQIEISA-N 0 1 326.784 2.806 20 5 EFBDMN CC(C)(C)[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000574481386 479294700 /nfs/dbraw/zinc/29/47/00/479294700.db2.gz SYOGVXWFORYQFU-HNNXBMFYSA-N 0 1 335.404 2.670 20 5 EFBDMN CCN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000611172083 479300674 /nfs/dbraw/zinc/30/06/74/479300674.db2.gz QIPHRPMBBXKITK-CYBMUJFWSA-N 0 1 330.388 2.776 20 5 EFBDMN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000593342592 479304264 /nfs/dbraw/zinc/30/42/64/479304264.db2.gz UGBDBUXSOIONHA-KRWDZBQOSA-N 0 1 329.356 2.582 20 5 EFBDMN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CCN(Cc2ccccc2)C1 ZINC000593342592 479304269 /nfs/dbraw/zinc/30/42/69/479304269.db2.gz UGBDBUXSOIONHA-KRWDZBQOSA-N 0 1 329.356 2.582 20 5 EFBDMN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@@]2(CO)CCOC2)cc1 ZINC000585718706 479315984 /nfs/dbraw/zinc/31/59/84/479315984.db2.gz ULQZLVSXBDUQGE-LJQANCHMSA-N 0 1 342.395 2.748 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCN1Cc1ccccc1 ZINC000596558251 479338892 /nfs/dbraw/zinc/33/88/92/479338892.db2.gz PMBLQXDAPWRYNU-HNNXBMFYSA-N 0 1 329.404 2.806 20 5 EFBDMN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000586773244 479348913 /nfs/dbraw/zinc/34/89/13/479348913.db2.gz IOXCIXNHRPZLCW-OAHLLOKOSA-N 0 1 328.368 2.909 20 5 EFBDMN O=[N+]([O-])c1sc(CN2CCc3cn[nH]c3C2)cc1Br ZINC000602475139 479354702 /nfs/dbraw/zinc/35/47/02/479354702.db2.gz WSYOPSDXQQOVHE-UHFFFAOYSA-N 0 1 343.206 2.700 20 5 EFBDMN O=[N+]([O-])c1sc(CN[C@H]2CCN(C3CC3)C2)cc1Br ZINC000602545326 479391883 /nfs/dbraw/zinc/39/18/83/479391883.db2.gz PKGPVYAJFDJRLV-QMMMGPOBSA-N 0 1 346.250 2.745 20 5 EFBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1[nH]nc2c1CCCC2 ZINC000611506646 479399268 /nfs/dbraw/zinc/39/92/68/479399268.db2.gz GVFZSVMOAQSTRL-UHFFFAOYSA-N 0 1 348.790 2.823 20 5 EFBDMN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000611528480 479406494 /nfs/dbraw/zinc/40/64/94/479406494.db2.gz WYYCJHSMAFPDTM-UHFFFAOYSA-N 0 1 345.746 2.637 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000593650995 479413306 /nfs/dbraw/zinc/41/33/06/479413306.db2.gz OBNLTCITBDXHJY-UWVGGRQHSA-N 0 1 349.366 2.785 20 5 EFBDMN COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556955 479414856 /nfs/dbraw/zinc/41/48/56/479414856.db2.gz JQFILQYUACXETF-HNNXBMFYSA-N 0 1 344.323 2.563 20 5 EFBDMN COc1ccccc1OCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611555941 479414913 /nfs/dbraw/zinc/41/49/13/479414913.db2.gz PZEWVCRDZIIYRZ-UHFFFAOYSA-N 0 1 346.339 2.508 20 5 EFBDMN CC1(C)[C@@H](O)C[C@@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602620697 479428906 /nfs/dbraw/zinc/42/89/06/479428906.db2.gz DGRPNYJJXBKKEF-IUCAKERBSA-N 0 1 335.223 2.668 20 5 EFBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2N2CCCC2)c1 ZINC000603821488 479432160 /nfs/dbraw/zinc/43/21/60/479432160.db2.gz BQSJUPHJSJTOHM-UHFFFAOYSA-N 0 1 347.396 2.996 20 5 EFBDMN Cc1nccc([C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834296 479434879 /nfs/dbraw/zinc/43/48/79/479434879.db2.gz OQKDFMXTELTNGN-OAHLLOKOSA-N 0 1 342.399 2.952 20 5 EFBDMN COCC[C@H]1CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593741911 479441882 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O=[N+]([O-])c1ccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c(F)c1 ZINC000589521353 479537242 /nfs/dbraw/zinc/53/72/42/479537242.db2.gz ULKZDTCYQCIEKO-CVEARBPZSA-N 0 1 338.379 2.534 20 5 EFBDMN CC(C)(CC(F)(F)F)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000614897734 479542769 /nfs/dbraw/zinc/54/27/69/479542769.db2.gz XFDPQSASKHKXJL-UHFFFAOYSA-N 0 1 330.266 2.932 20 5 EFBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCSC[C@@H]1c1ccccc1 ZINC000602776982 479547103 /nfs/dbraw/zinc/54/71/03/479547103.db2.gz BJZNAUSWILPBLZ-OAHLLOKOSA-N 0 1 332.429 2.890 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCCCC[C@H]3CO)co2)cc1 ZINC000594017360 479549801 /nfs/dbraw/zinc/54/98/01/479549801.db2.gz XAQKFSSKXJHBQC-INIZCTEOSA-N 0 1 331.372 2.987 20 5 EFBDMN Cc1ccc(CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000612059232 479566866 /nfs/dbraw/zinc/56/68/66/479566866.db2.gz DOGAVMMCWASNCA-OAHLLOKOSA-N 0 1 346.383 2.901 20 5 EFBDMN Cc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576229764 479571239 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CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1COCCO1 ZINC000597205276 479619484 /nfs/dbraw/zinc/61/94/84/479619484.db2.gz IDNKOBQMMXXILW-INIZCTEOSA-N 0 1 332.356 2.702 20 5 EFBDMN O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594195114 479625394 /nfs/dbraw/zinc/62/53/94/479625394.db2.gz CCGQMLURLYMMEX-XWTMOSNGSA-N 0 1 343.427 2.831 20 5 EFBDMN COC1CCN(CCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000615245537 479635965 /nfs/dbraw/zinc/63/59/65/479635965.db2.gz DWPZPJAYUFBBAK-UHFFFAOYSA-N 0 1 349.431 2.559 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC([C@@H]3CCCO3)CC1)OCCO2 ZINC000615283735 479647338 /nfs/dbraw/zinc/64/73/38/479647338.db2.gz XBQIXXSHHUXHSS-INIZCTEOSA-N 0 1 348.399 2.757 20 5 EFBDMN Cc1ncc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000602953727 479649111 /nfs/dbraw/zinc/64/91/11/479649111.db2.gz BWUCQSZPWPKRJD-JTQLQIEISA-N 0 1 334.401 2.673 20 5 EFBDMN CN(C)c1ccnc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000612345386 479649595 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CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164341621 527846556 /nfs/dbraw/zinc/84/65/56/527846556.db2.gz GGIHNOYXWSYJFH-UHFFFAOYSA-N 0 1 343.383 2.682 20 5 EFBDMN CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000160341677 528338597 /nfs/dbraw/zinc/33/85/97/528338597.db2.gz NUSBAOJJYYDXBF-UHFFFAOYSA-N 0 1 349.431 2.885 20 5 EFBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000181290030 528511184 /nfs/dbraw/zinc/51/11/84/528511184.db2.gz NOYJHXMPNXWBPF-LBPRGKRZSA-N 0 1 344.371 2.678 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)[C@H]2C[C@H](OCC)C2(C)C)c1[N+](=O)[O-] ZINC000154806105 528545034 /nfs/dbraw/zinc/54/50/34/528545034.db2.gz UCNJUFOXHLVOEB-RYUDHWBXSA-N 0 1 338.408 2.546 20 5 EFBDMN CCOCCC1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000159526548 528632598 /nfs/dbraw/zinc/63/25/98/528632598.db2.gz RANOVNGFBPKSFB-UHFFFAOYSA-N 0 1 346.387 2.798 20 5 EFBDMN CC[C@@H](NCC(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181560538 529154258 /nfs/dbraw/zinc/15/42/58/529154258.db2.gz LXHVMYDGNRFVOL-GOSISDBHSA-N 0 1 341.411 2.994 20 5 EFBDMN CC[C@H]1C[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CCO1 ZINC000183646071 529314940 /nfs/dbraw/zinc/31/49/40/529314940.db2.gz BGCTXOWRWUEJIA-AAEUAGOBSA-N 0 1 345.359 2.524 20 5 EFBDMN CC(C)Oc1cc(C(=O)NCc2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000412361824 534948442 /nfs/dbraw/zinc/94/84/42/534948442.db2.gz ANFCBOYEJXRJKH-UHFFFAOYSA-N 0 1 347.375 2.554 20 5 EFBDMN CCCCCn1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C)n1 ZINC000356728572 535159222 /nfs/dbraw/zinc/15/92/22/535159222.db2.gz NMCGZZOVEAWCCD-UHFFFAOYSA-N 0 1 346.387 2.926 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000433695148 535319680 /nfs/dbraw/zinc/31/96/80/535319680.db2.gz UINZUQZKOFHQTB-UHFFFAOYSA-N 0 1 338.314 2.992 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)CCOCc2ccccc2)c1[N+](=O)[O-] ZINC000434255529 535319871 /nfs/dbraw/zinc/31/98/71/535319871.db2.gz IHWOLUNSTKWLHW-UHFFFAOYSA-N 0 1 346.387 2.730 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c1[N+](=O)[O-] ZINC000433932626 535320609 /nfs/dbraw/zinc/32/06/09/535320609.db2.gz RVRUBICBDSLYJZ-CYBMUJFWSA-N 0 1 343.387 2.768 20 5 EFBDMN CC(C)C[C@H]1CCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342719990 535327753 /nfs/dbraw/zinc/32/77/53/535327753.db2.gz YLWGQYJCNMWULD-OAHLLOKOSA-N 0 1 340.445 2.879 20 5 EFBDMN CCC(=O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000194649819 535347119 /nfs/dbraw/zinc/34/71/19/535347119.db2.gz RXRJRIYSGQKHLC-UHFFFAOYSA-N 0 1 334.353 2.988 20 5 EFBDMN CCCc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1-c1ccc(C)cc1 ZINC000365333506 535774421 /nfs/dbraw/zinc/77/44/21/535774421.db2.gz LPGPBXZGOGQWKB-CZUORRHYSA-N 0 1 328.372 2.737 20 5 EFBDMN CC[C@@H](O)[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000265054486 535815447 /nfs/dbraw/zinc/81/54/47/535815447.db2.gz QTHMBKLKVHZYRI-LSDHHAIUSA-N 0 1 346.387 2.770 20 5 EFBDMN CN(Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000352880588 536480797 /nfs/dbraw/zinc/48/07/97/536480797.db2.gz XPUZHRKHDVHDLU-UHFFFAOYSA-N 0 1 343.358 2.690 20 5 EFBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCC[C@H]1O ZINC000245850675 536485424 /nfs/dbraw/zinc/48/54/24/536485424.db2.gz JFSNJRFXLGMCCI-XJKSGUPXSA-N 0 1 331.372 2.843 20 5 EFBDMN COC(=O)[C@@]12CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000342136690 536586881 /nfs/dbraw/zinc/58/68/81/536586881.db2.gz RFUIILDXEBCTJU-PXAZEXFGSA-N 0 1 336.363 2.899 20 5 EFBDMN COC1CCC(N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000414197207 536740501 /nfs/dbraw/zinc/74/05/01/536740501.db2.gz YVKJRCHYNOIPBM-BDVYOWHSSA-N 0 1 344.415 2.965 20 5 EFBDMN COC[C@@H]1CCCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342575256 536742928 /nfs/dbraw/zinc/74/29/28/536742928.db2.gz XHICVFSDPISKIC-UONOGXRCSA-N 0 1 335.404 2.670 20 5 EFBDMN COCC[C@@H](C)CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000414195810 536768400 /nfs/dbraw/zinc/76/84/00/536768400.db2.gz JKUVCOLTUUWCQA-CJNGLKHVSA-N 0 1 332.404 2.680 20 5 EFBDMN COc1cc(CNCCCC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000344729132 536795887 /nfs/dbraw/zinc/79/58/87/536795887.db2.gz MRBHISUMNVGUJE-UHFFFAOYSA-N 0 1 340.376 2.521 20 5 EFBDMN COc1ccc(-c2ccc(C[N@@H+](C)CCC(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000414688250 536896336 /nfs/dbraw/zinc/89/63/36/536896336.db2.gz YBCRENVTQBGVNP-UHFFFAOYSA-N 0 1 334.328 2.770 20 5 EFBDMN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000754250168 575410737 /nfs/dbraw/zinc/41/07/37/575410737.db2.gz CXAILZNDTCUMGC-ZBEGNZNMSA-N 0 1 326.356 2.855 20 5 EFBDMN COC(=O)C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000754529553 575447862 /nfs/dbraw/zinc/44/78/62/575447862.db2.gz XZJSZTDBVJVURT-OAHLLOKOSA-N 0 1 345.355 2.681 20 5 EFBDMN CN(C1CCCC1)C(C)(C)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000754871333 575507185 /nfs/dbraw/zinc/50/71/85/575507185.db2.gz FWYULLVZMFMTKF-UHFFFAOYSA-N 0 1 348.399 2.974 20 5 EFBDMN CCc1cc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000756943227 575803959 /nfs/dbraw/zinc/80/39/59/575803959.db2.gz UXOWSEBDGZYMMY-UHFFFAOYSA-N 0 1 337.767 2.533 20 5 EFBDMN CCc1cc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000756949449 575804270 /nfs/dbraw/zinc/80/42/70/575804270.db2.gz GFUNWCNZSKNOGL-UHFFFAOYSA-N 0 1 338.371 2.680 20 5 EFBDMN O=C(OCc1noc(-c2cccc(Cl)c2)n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000758092232 575859719 /nfs/dbraw/zinc/85/97/19/575859719.db2.gz RWEGGVNZVHBARA-UHFFFAOYSA-N 0 1 348.702 2.983 20 5 EFBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763470540 576378610 /nfs/dbraw/zinc/37/86/10/576378610.db2.gz JYBIBFQVYUAHLJ-UHFFFAOYSA-N 0 1 345.265 2.706 20 5 EFBDMN Cc1c(CONC(=N)[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000764573751 576473828 /nfs/dbraw/zinc/47/38/28/576473828.db2.gz FSNNRTKVKNPLSA-INIZCTEOSA-N 0 1 343.339 2.742 20 5 EFBDMN CCc1cc(CNC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000765509346 577048642 /nfs/dbraw/zinc/04/86/42/577048642.db2.gz UDLOBBMKJPWGPX-CYBMUJFWSA-N 0 1 330.388 2.765 20 5 EFBDMN O=Cc1[nH]nc2cc(C(=O)OCCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000766172081 577116378 /nfs/dbraw/zinc/11/63/78/577116378.db2.gz AUFPBDYJSSCJRV-UHFFFAOYSA-N 0 1 339.307 2.683 20 5 EFBDMN O=Cc1[nH]nc2cc(C(=O)OCc3ccccc3[N+](=O)[O-])ccc12 ZINC000766187629 577118903 /nfs/dbraw/zinc/11/89/03/577118903.db2.gz IDCWKYYJXHCMEP-UHFFFAOYSA-N 0 1 325.280 2.641 20 5 EFBDMN CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1CCOC ZINC000766427529 577148527 /nfs/dbraw/zinc/14/85/27/577148527.db2.gz FLWNBUJYSVUNEB-CQSZACIVSA-N 0 1 325.384 2.671 20 5 EFBDMN C[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000766578610 577168206 /nfs/dbraw/zinc/16/82/06/577168206.db2.gz WVLGQHLIFKILEH-LURJTMIESA-N 0 1 346.714 2.867 20 5 EFBDMN CCc1[nH]nc(C(=O)N(CCc2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000767759109 577232266 /nfs/dbraw/zinc/23/22/66/577232266.db2.gz ZKIHQIYHUDBHJD-UHFFFAOYSA-N 0 1 328.372 2.728 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2O)cc([N+](=O)[O-])c1F ZINC000768285989 577264436 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CC[C@H]1[C@@H](C)CCN1Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000774619712 581495389 /nfs/dbraw/zinc/49/53/89/581495389.db2.gz QYTMLTPNFWESBU-ZFWWWQNUSA-N 0 1 344.415 2.934 20 5 EFBDMN C[C@@H](C[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1)C(=O)[O-] ZINC000736580539 600078020 /nfs/dbraw/zinc/07/80/20/600078020.db2.gz CYIZKTUQCSBWPP-LBPRGKRZSA-N 0 1 344.371 2.601 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736729204 600138107 /nfs/dbraw/zinc/13/81/07/600138107.db2.gz XUALNFVKGURLJC-ZYHUDNBSSA-N 0 1 346.343 2.502 20 5 EFBDMN C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737450318 600214971 /nfs/dbraw/zinc/21/49/71/600214971.db2.gz ZUAVSTZVXMABRC-MRXNPFEDSA-N 0 1 330.340 2.731 20 5 EFBDMN O=C([O-])CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCO1 ZINC000739725216 600410879 /nfs/dbraw/zinc/41/08/79/600410879.db2.gz WCUUXQLQVGCCFV-CYBMUJFWSA-N 0 1 342.779 2.704 20 5 EFBDMN O=C([O-])CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCO1 ZINC000739725216 600410880 /nfs/dbraw/zinc/41/08/80/600410880.db2.gz WCUUXQLQVGCCFV-CYBMUJFWSA-N 0 1 342.779 2.704 20 5 EFBDMN CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000828424979 601685727 /nfs/dbraw/zinc/68/57/27/601685727.db2.gz VSWOIWYOFNYMMA-QKOWSDGPSA-N 0 1 333.388 2.833 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000827966205 601919421 /nfs/dbraw/zinc/91/94/21/601919421.db2.gz NHTHUXGFJVFRDX-QFYYESIMSA-N 0 1 346.343 2.502 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000827966208 601919762 /nfs/dbraw/zinc/91/97/62/601919762.db2.gz NHTHUXGFJVFRDX-QLJPJBMISA-N 0 1 346.343 2.502 20 5 EFBDMN C[C@H]1C[C@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000828183382 604268653 /nfs/dbraw/zinc/26/86/53/604268653.db2.gz HFQPRLWJHUGYAY-DTWKUNHWSA-N 0 1 327.768 2.841 20 5 EFBDMN 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COCCOc1ccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000873015066 1289521053 /nfs/dbraw/zinc/52/10/53/1289521053.db2.gz XHHMOHOXKUXSBT-UHFFFAOYSA-N 0 1 345.399 2.922 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(S(C)(=O)=O)cc1 ZINC000873023752 1289525374 /nfs/dbraw/zinc/52/53/74/1289525374.db2.gz VGQYVOQYBFQIOW-UHFFFAOYSA-N 0 1 348.424 2.905 20 5 EFBDMN Cc1c(CNCCS(=O)(=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000873023818 1289526801 /nfs/dbraw/zinc/52/68/01/1289526801.db2.gz XRMDBGBWMOCRQJ-UHFFFAOYSA-N 0 1 348.424 2.608 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc2c(c1)C(=O)NCC2 ZINC000873104204 1289570063 /nfs/dbraw/zinc/57/00/63/1289570063.db2.gz KQSDCGYSJBFJGX-UHFFFAOYSA-N 0 1 339.395 2.787 20 5 EFBDMN Cc1c(CN[C@@H](C)C(=O)NCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000873129043 1289584517 /nfs/dbraw/zinc/58/45/17/1289584517.db2.gz FWYHIWFDZQVNOJ-HNNXBMFYSA-N 0 1 341.411 2.740 20 5 EFBDMN O=C([N-]CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000091632146 1290325333 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CCOC1CC2(C1)CCN(Cn1ncc3cc([N+](=O)[O-])ccc31)C2 ZINC000795720005 1291309474 /nfs/dbraw/zinc/30/94/74/1291309474.db2.gz GQVCFVYGGXPADN-UHFFFAOYSA-N 0 1 330.388 2.793 20 5 EFBDMN CCN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCOC1 ZINC000877973619 1291433741 /nfs/dbraw/zinc/43/37/41/1291433741.db2.gz VSMSSGNMXGJNNI-GFCCVEGCSA-N 0 1 332.360 2.503 20 5 EFBDMN C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1 ZINC000795803821 1291472768 /nfs/dbraw/zinc/47/27/68/1291472768.db2.gz AOJZPKNYYRTQNG-SSDOTTSWSA-N 0 1 336.772 2.712 20 5 EFBDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000878193002 1291548236 /nfs/dbraw/zinc/54/82/36/1291548236.db2.gz PVFXPXHMLBBBGJ-MEDUHNTESA-N 0 1 328.372 2.642 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)o1 ZINC000878291898 1291605899 /nfs/dbraw/zinc/60/58/99/1291605899.db2.gz RDFGJBDSPBOFKC-STQMWFEESA-N 0 1 344.371 2.503 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@H]([C@H]3CCOC3)C2)o1 ZINC000878291898 1291605908 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2.854 20 5 EFBDMN C[C@H]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795943029 1291738216 /nfs/dbraw/zinc/73/82/16/1291738216.db2.gz MEEFWCNEYHDMBS-YUMQZZPRSA-N 0 1 336.772 2.854 20 5 EFBDMN COc1ccc([C@H]2COCCN2Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000879739828 1292248352 /nfs/dbraw/zinc/24/83/52/1292248352.db2.gz UVUMNPKNEKMOEZ-GOSISDBHSA-N 0 1 344.367 2.883 20 5 EFBDMN CC(C)CC(=O)N1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000879759073 1292257837 /nfs/dbraw/zinc/25/78/37/1292257837.db2.gz DKVFJXXIOLGYEU-UHFFFAOYSA-N 0 1 349.431 2.554 20 5 EFBDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000879919699 1292310612 /nfs/dbraw/zinc/31/06/12/1292310612.db2.gz QDCMXQQORIKMOX-PXAZEXFGSA-N 0 1 342.399 2.685 20 5 EFBDMN CC(C)[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000775424128 1292400262 /nfs/dbraw/zinc/40/02/62/1292400262.db2.gz QYVRDRWCCCZANX-HNNXBMFYSA-N 0 1 339.823 2.985 20 5 EFBDMN O=C([O-])CCC[N@@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000903603291 1312925797 /nfs/dbraw/zinc/92/57/97/1312925797.db2.gz NGZJCARXWJRENW-UHFFFAOYSA-N 0 1 329.356 2.857 20 5 EFBDMN COc1ccc(C(=O)[O-])cc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000903609061 1312934691 /nfs/dbraw/zinc/93/46/91/1312934691.db2.gz SOYLLJUSIFJXMO-UHFFFAOYSA-N 0 1 344.367 2.976 20 5 EFBDMN CCc1ccc(CN2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000882809920 1293330200 /nfs/dbraw/zinc/33/02/00/1293330200.db2.gz UIPOZBWGZOAHEP-UHFFFAOYSA-N 0 1 342.399 2.580 20 5 EFBDMN C[C@H](c1ccccn1)N1CCC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233856459 1313004953 /nfs/dbraw/zinc/00/49/53/1313004953.db2.gz AERVJJLZVKEENO-UKRRQHHQSA-N 0 1 328.372 2.989 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000351936623 1313010170 /nfs/dbraw/zinc/01/01/70/1313010170.db2.gz MIGSKJIZJPRRFE-KSSFIOAISA-N 0 1 349.431 2.571 20 5 EFBDMN O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CN3CCC2CC3)c2ncccc12 ZINC001233901871 1313014365 /nfs/dbraw/zinc/01/43/65/1313014365.db2.gz OQHZUBGAQJFABX-AWEZNQCLSA-N 0 1 344.327 2.524 20 5 EFBDMN Cc1nc(C2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)[nH]c1C ZINC000884709098 1294228580 /nfs/dbraw/zinc/22/85/80/1294228580.db2.gz VTCBGTCNHWFPHM-UHFFFAOYSA-N 0 1 340.387 2.966 20 5 EFBDMN CCSCCC(=O)NCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001234442142 1313129838 /nfs/dbraw/zinc/12/98/38/1313129838.db2.gz QZABNZPAHVHYKX-UHFFFAOYSA-N 0 1 339.461 2.676 20 5 EFBDMN C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000775984568 1295571466 /nfs/dbraw/zinc/57/14/66/1295571466.db2.gz GXPULRSHJXABQH-QWRGUYRKSA-N 0 1 342.237 2.882 20 5 EFBDMN CCOc1cc(N2C[C@@H](C)N(CCOC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000826634101 1295731468 /nfs/dbraw/zinc/73/14/68/1295731468.db2.gz XPYNXJNYBYDSBT-OKILXGFUSA-N 0 1 337.420 2.539 20 5 EFBDMN CC[N@@H+]1CC[C@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743574 1313188087 /nfs/dbraw/zinc/18/80/87/1313188087.db2.gz DIGZNFFGYKUITP-ZDUSSCGKSA-N 0 1 341.363 2.830 20 5 EFBDMN CC[N@H+]1CC[C@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743574 1313188091 /nfs/dbraw/zinc/18/80/91/1313188091.db2.gz DIGZNFFGYKUITP-ZDUSSCGKSA-N 0 1 341.363 2.830 20 5 EFBDMN Cc1nccc([N+](=O)[O-])c1O[C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC001234902800 1313205947 /nfs/dbraw/zinc/20/59/47/1313205947.db2.gz ALROVTQIUGUJTI-UONOGXRCSA-N 0 1 328.372 2.908 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000925235990 1296812692 /nfs/dbraw/zinc/81/26/92/1296812692.db2.gz JMFVRHBFSHYPOD-MELADBBJSA-N 0 1 334.420 2.780 20 5 EFBDMN O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000929913500 1297215558 /nfs/dbraw/zinc/21/55/58/1297215558.db2.gz NCIDAUKUIMXZFM-QZTJIDSGSA-N 0 1 343.427 2.785 20 5 EFBDMN O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000929913501 1297216523 /nfs/dbraw/zinc/21/65/23/1297216523.db2.gz NCIDAUKUIMXZFM-ROUUACIJSA-N 0 1 343.427 2.785 20 5 EFBDMN CC1(C)[C@H](O)C[C@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC000930630726 1297279784 /nfs/dbraw/zinc/27/97/84/1297279784.db2.gz GZRXVAMZSSZZOR-VXGBXAGGSA-N 0 1 329.194 2.606 20 5 EFBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903903928 1313384615 /nfs/dbraw/zinc/38/46/15/1313384615.db2.gz GSYHIFKHOYZUOQ-RKDXNWHRSA-N 0 1 343.177 2.652 20 5 EFBDMN Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000083955055 1298723694 /nfs/dbraw/zinc/72/36/94/1298723694.db2.gz ZPONKAVFWDNWRY-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC000852206553 1299596046 /nfs/dbraw/zinc/59/60/46/1299596046.db2.gz MIRJVLPZTPYTNK-GOSISDBHSA-N 0 1 330.359 3.000 20 5 EFBDMN C[N@@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000776594223 1299693039 /nfs/dbraw/zinc/69/30/39/1299693039.db2.gz ZCFNKSLAPFCKHK-RBUKOAKNSA-N 0 1 341.411 2.617 20 5 EFBDMN CN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000776594223 1299693052 /nfs/dbraw/zinc/69/30/52/1299693052.db2.gz ZCFNKSLAPFCKHK-RBUKOAKNSA-N 0 1 341.411 2.617 20 5 EFBDMN C[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000853509958 1300143199 /nfs/dbraw/zinc/14/31/99/1300143199.db2.gz GCDCAVXPAMFRME-LLVKDONJSA-N 0 1 343.374 2.814 20 5 EFBDMN COc1cc(N2CCC[C@H](N3CCOCC3)CC2)c([N+](=O)[O-])cc1C ZINC000853718331 1300242882 /nfs/dbraw/zinc/24/28/82/1300242882.db2.gz CIPDHLFDYWJIDV-HNNXBMFYSA-N 0 1 349.431 2.603 20 5 EFBDMN C[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C[C@@H]1NC(=O)C(F)(F)F ZINC000853990234 1300378379 /nfs/dbraw/zinc/37/83/79/1300378379.db2.gz YVMAOJJAAKDXJG-SFYZADRCSA-N 0 1 337.323 2.550 20 5 EFBDMN C[C@H](CN(C)Cc1cc(O)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860098154 1301700288 /nfs/dbraw/zinc/70/02/88/1301700288.db2.gz ZCTNTBNJWNPEOH-LLVKDONJSA-N 0 1 339.392 2.645 20 5 EFBDMN O=C(Nc1cc(Cl)c(Br)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862585650 1302418852 /nfs/dbraw/zinc/41/88/52/1302418852.db2.gz RCZREUYMKIGEBJ-ALFREKQPSA-N 0 1 337.532 2.845 20 5 EFBDMN C[C@]1(O)CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000794671479 1302891774 /nfs/dbraw/zinc/89/17/74/1302891774.db2.gz BIRSPQDLSCXDKY-KRWDZBQOSA-N 0 1 330.388 2.653 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c(C(F)F)c1 ZINC000865506704 1303288663 /nfs/dbraw/zinc/28/86/63/1303288663.db2.gz SQUFENQGDNWJPI-CABCVRRESA-N 0 1 341.358 2.568 20 5 EFBDMN COc1cccc2c1OC[C@H](NCc1ccc([N+](=O)[O-])cc1F)C2 ZINC000865819946 1303417429 /nfs/dbraw/zinc/41/74/29/1303417429.db2.gz BQLMQFHDUQSCPD-CYBMUJFWSA-N 0 1 332.331 2.836 20 5 EFBDMN C[C@](N)(C(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 ZINC000867942183 1304029954 /nfs/dbraw/zinc/02/99/54/1304029954.db2.gz NNTPJRUJODMHFJ-HPXCNGPASA-N 0 1 343.427 2.854 20 5 EFBDMN C[C@](N)(C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000867941296 1304030360 /nfs/dbraw/zinc/03/03/60/1304030360.db2.gz FVUSBEAOPKYUAD-YRWGSWDYSA-N 0 1 331.416 2.854 20 5 EFBDMN C[C@](N)(C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000867941298 1304030384 /nfs/dbraw/zinc/03/03/84/1304030384.db2.gz FVUSBEAOPKYUAD-ZFHGCVPZSA-N 0 1 331.416 2.854 20 5 EFBDMN C[C@](N)(C(=O)N[C@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000867948420 1304036847 /nfs/dbraw/zinc/03/68/47/1304036847.db2.gz VSKFTCVCDANSAG-FUHWJXTLSA-N 0 1 343.358 2.712 20 5 EFBDMN Cc1cccc2c1CC[C@@H]2NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867951821 1304038989 /nfs/dbraw/zinc/03/89/89/1304038989.db2.gz QXQONRKDQRAUPU-PKOBYXMFSA-N 0 1 339.395 2.881 20 5 EFBDMN CC(C)(CNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000867952520 1304039893 /nfs/dbraw/zinc/03/98/93/1304039893.db2.gz BMBKZIUALBBPAH-LJQANCHMSA-N 0 1 341.411 2.863 20 5 EFBDMN Cc1cc(C)cc(CCNC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)c1 ZINC000867953905 1304040805 /nfs/dbraw/zinc/04/08/05/1304040805.db2.gz DMJZLNGQVSYASM-IBGZPJMESA-N 0 1 341.411 2.744 20 5 EFBDMN C[C@@](N)(C(=O)N[C@@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000867985259 1304059138 /nfs/dbraw/zinc/05/91/38/1304059138.db2.gz YSMUGCVNKHMOIM-AEFFLSMTSA-N 0 1 325.368 2.572 20 5 EFBDMN O=C(NCc1ccnc2ccccc12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000748724442 1314118422 /nfs/dbraw/zinc/11/84/22/1314118422.db2.gz HSPPPQFKJQNZNZ-UHFFFAOYSA-N 0 1 347.334 2.949 20 5 EFBDMN CC1(NC(=O)c2ccc[nH]2)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045363273 1307278149 /nfs/dbraw/zinc/27/81/49/1307278149.db2.gz HTTWVXMASCPNRF-UHFFFAOYSA-N 0 1 342.399 2.707 20 5 EFBDMN CC(C)N(Cc1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1)C(C)C ZINC000900545672 1308290595 /nfs/dbraw/zinc/29/05/95/1308290595.db2.gz DEFXOXGWOANXRQ-UHFFFAOYSA-N 0 1 335.383 2.993 20 5 EFBDMN CC(C)N(Cc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1)C(C)C ZINC000900545649 1308291025 /nfs/dbraw/zinc/29/10/25/1308291025.db2.gz CQYAIZGOCWDCLY-UHFFFAOYSA-N 0 1 335.383 2.993 20 5 EFBDMN CN1CCN(Cc2ccccc2Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001209935683 1314261469 /nfs/dbraw/zinc/26/14/69/1314261469.db2.gz CBPJRARPBAHYER-UHFFFAOYSA-N 0 1 341.415 2.668 20 5 EFBDMN CS(=O)(=O)c1ccc(F)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210401749 1314327230 /nfs/dbraw/zinc/32/72/30/1314327230.db2.gz ZDIYEHYQVAMDDD-UHFFFAOYSA-N 0 1 326.305 2.587 20 5 EFBDMN COc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)ccc1OC1COC1 ZINC001210397503 1314325937 /nfs/dbraw/zinc/32/59/37/1314325937.db2.gz CZXUKOLBMWDNHA-UHFFFAOYSA-N 0 1 332.312 2.830 20 5 EFBDMN COC(=O)c1nn(C)c2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cc12 ZINC001210398764 1314326695 /nfs/dbraw/zinc/32/66/95/1314326695.db2.gz KZLIXNWEMQKIOT-UHFFFAOYSA-N 0 1 342.311 2.717 20 5 EFBDMN CCOC(=O)CCN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801514703 1310423059 /nfs/dbraw/zinc/42/30/59/1310423059.db2.gz DRDWEONPPWSNLS-UHFFFAOYSA-N 0 1 345.193 2.742 20 5 EFBDMN O=C(NCc1n[nH]c(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000750648480 1311084186 /nfs/dbraw/zinc/08/41/86/1311084186.db2.gz UKXQTQPSTMMPKZ-UHFFFAOYSA-N 0 1 338.327 2.702 20 5 EFBDMN O=C(NCc1nc(-c2ccccc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000750648480 1311084189 /nfs/dbraw/zinc/08/41/89/1311084189.db2.gz UKXQTQPSTMMPKZ-UHFFFAOYSA-N 0 1 338.327 2.702 20 5 EFBDMN O=C(CC1CC1)NCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222236721 1311103460 /nfs/dbraw/zinc/10/34/60/1311103460.db2.gz NBPXBSZMFPMVRN-UHFFFAOYSA-N 0 1 331.416 2.723 20 5 EFBDMN COC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000901865544 1311132785 /nfs/dbraw/zinc/13/27/85/1311132785.db2.gz QDEPWSQBQRUFNS-QGZVFWFLSA-N 0 1 336.388 2.525 20 5 EFBDMN COC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901866124 1311133813 /nfs/dbraw/zinc/13/38/13/1311133813.db2.gz URBWGCFPPXDBLQ-OAHLLOKOSA-N 0 1 342.779 2.561 20 5 EFBDMN O=C(/C=C/C1CC1)NCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222730108 1311177310 /nfs/dbraw/zinc/17/73/10/1311177310.db2.gz DBVNSXNFKVBBCF-VOTSOKGWSA-N 0 1 343.427 2.889 20 5 EFBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCCc1c[nH]nn1 ZINC000780388954 1311365128 /nfs/dbraw/zinc/36/51/28/1311365128.db2.gz HWYDRZUJGZQKJZ-UHFFFAOYSA-N 0 1 336.373 2.615 20 5 EFBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCCc1cnn[nH]1 ZINC000780388954 1311365131 /nfs/dbraw/zinc/36/51/31/1311365131.db2.gz HWYDRZUJGZQKJZ-UHFFFAOYSA-N 0 1 336.373 2.615 20 5 EFBDMN CC(C)(F)C(=O)NCCC1=CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159040601 1311439682 /nfs/dbraw/zinc/43/96/82/1311439682.db2.gz IAVICEPNZSRSOJ-UHFFFAOYSA-N 0 1 349.406 2.981 20 5 EFBDMN CSCC(=O)NCCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001159169178 1311465237 /nfs/dbraw/zinc/46/52/37/1311465237.db2.gz YZHUAGAFXGYYID-UHFFFAOYSA-N 0 1 349.456 2.596 20 5 EFBDMN COc1cc(O[C@H]2CC[C@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001225435620 1311523618 /nfs/dbraw/zinc/52/36/18/1311523618.db2.gz KFNOXUHFSUCYGS-HDJSIYSDSA-N 0 1 336.388 2.626 20 5 EFBDMN COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225491562 1311531204 /nfs/dbraw/zinc/53/12/04/1311531204.db2.gz QJLRPDXFTXSHQI-YNEHKIRRSA-N 0 1 343.376 2.524 20 5 EFBDMN C[C@@H](c1ccccn1)N1CCC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628943 1311556081 /nfs/dbraw/zinc/55/60/81/1311556081.db2.gz AHUICWRPKMUYJH-KBPBESRZSA-N 0 1 328.372 2.989 20 5 EFBDMN C[C@H](c1ccccn1)N1CCC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628946 1311556129 /nfs/dbraw/zinc/55/61/29/1311556129.db2.gz AHUICWRPKMUYJH-ZIAGYGMSSA-N 0 1 328.372 2.989 20 5 EFBDMN CC(C)N1CCC[C@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225894631 1311587806 /nfs/dbraw/zinc/58/78/06/1311587806.db2.gz KEEXBPRVFOZVTO-NSHDSACASA-N 0 1 327.312 2.894 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2cccc3[nH]nnc32)C1 ZINC001225991625 1311598310 /nfs/dbraw/zinc/59/83/10/1311598310.db2.gz DZLLTEZQSHFEEB-JTQLQIEISA-N 0 1 343.318 2.663 20 5 EFBDMN C[C@@H](Oc1n[nH]c2ncccc12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226302056 1311644897 /nfs/dbraw/zinc/64/48/97/1311644897.db2.gz GTYDJRUUEBFRSF-MRVPVSSYSA-N 0 1 328.284 2.735 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)nc1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001226364435 1311656125 /nfs/dbraw/zinc/65/61/25/1311656125.db2.gz LXVOOPYBKXUHOF-HAQNSBGRSA-N 0 1 341.795 2.665 20 5 EFBDMN C[C@H](c1ccccn1)N1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226711809 1311711559 /nfs/dbraw/zinc/71/15/59/1311711559.db2.gz GOPIWWDIPOMQII-HIFRSBDPSA-N 0 1 328.372 2.989 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1O[C@H]1COCCN(Cc2ccccc2)C1 ZINC001226764866 1311720013 /nfs/dbraw/zinc/72/00/13/1311720013.db2.gz MZDWJZLIYXXYMQ-QGZVFWFLSA-N 0 1 343.383 2.578 20 5 EFBDMN CC(C)=C(F)C(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226832528 1311730175 /nfs/dbraw/zinc/73/01/75/1311730175.db2.gz WIQNSGYSDLIVIA-UHFFFAOYSA-N 0 1 335.379 2.939 20 5 EFBDMN C[C@@H](Oc1n[nH]c(=O)cc1Br)c1ccccc1[N+](=O)[O-] ZINC001226850577 1311732153 /nfs/dbraw/zinc/73/21/53/1311732153.db2.gz VJZFEPADCFWVIC-SSDOTTSWSA-N 0 1 340.133 2.993 20 5 EFBDMN O=[N+]([O-])C[C@H](Oc1ccc2nc[nH]c2c1)c1ccc2c(c1)OCO2 ZINC001226929479 1311742484 /nfs/dbraw/zinc/74/24/84/1311742484.db2.gz GXHGECIRMIJVHA-INIZCTEOSA-N 0 1 327.296 2.688 20 5 EFBDMN CCC[C@@H](CC(=O)OCC)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227097218 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EFBDMN CSc1nc(O[C@H](C(C)C)C(F)(F)F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624520 1311833121 /nfs/dbraw/zinc/83/31/21/1311833121.db2.gz AGLSXAMHUREPLI-ZCFIWIBFSA-N 0 1 327.284 2.778 20 5 EFBDMN Cc1nc2ccc(O[C@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)cc2[nH]1 ZINC001228328798 1311931420 /nfs/dbraw/zinc/93/14/20/1311931420.db2.gz ITBRRXZVFWETRY-QGZVFWFLSA-N 0 1 341.323 2.997 20 5 EFBDMN C[C@H](COc1ccccc1)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228603798 1311968604 /nfs/dbraw/zinc/96/86/04/1311968604.db2.gz MJXQORFYKCNMNE-SNVBAGLBSA-N 0 1 331.328 2.814 20 5 EFBDMN O=c1[nH]c(C2CC2)nc(O[C@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC001228604634 1311969168 /nfs/dbraw/zinc/96/91/68/1311969168.db2.gz WARJJLMLFAPEEN-ZDUSSCGKSA-N 0 1 328.328 2.893 20 5 EFBDMN C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228657757 1311976210 /nfs/dbraw/zinc/97/62/10/1311976210.db2.gz QNMVQRSSKVHAQX-CZUORRHYSA-N 0 1 328.372 2.674 20 5 EFBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228657757 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332.312 2.930 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)c2ccncc2F)cc1O ZINC001228815125 1312004367 /nfs/dbraw/zinc/00/43/67/1312004367.db2.gz RLHPOADVNHLVOH-QMMMGPOBSA-N 0 1 336.275 2.761 20 5 EFBDMN CC(C)[NH+]1CCC(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])CC1 ZINC001228859982 1312011196 /nfs/dbraw/zinc/01/11/96/1312011196.db2.gz PLXPSQIYSZWETF-UHFFFAOYSA-N 0 1 349.309 2.966 20 5 EFBDMN O=[N+]([O-])c1ccncc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001228882458 1312015151 /nfs/dbraw/zinc/01/51/51/1312015151.db2.gz OSJQQIZOCDZRCM-MRXNPFEDSA-N 0 1 343.383 2.660 20 5 EFBDMN CCN1CC[C@@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228939211 1312023748 /nfs/dbraw/zinc/02/37/48/1312023748.db2.gz SQILOGKJRVZJNT-MRVPVSSYSA-N 0 1 333.157 2.969 20 5 EFBDMN COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1CCCN(C)C1 ZINC001228962087 1312027672 /nfs/dbraw/zinc/02/76/72/1312027672.db2.gz FFMUBVXXLKKOHR-JTQLQIEISA-N 0 1 328.752 2.508 20 5 EFBDMN Cc1nc(O[C@@H](c2ccccc2)C2CCOCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377267 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HONWQYFSEVEVDZ-UHFFFAOYSA-N 0 1 340.339 2.569 20 5 EFBDMN COC(=O)C[C@@H](C)Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21 ZINC001229791022 1312140490 /nfs/dbraw/zinc/14/04/90/1312140490.db2.gz FPRSGJHQTBUTDF-SNVBAGLBSA-N 0 1 328.320 2.982 20 5 EFBDMN C[C@@H](C[N+](C)(C)C)Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229807020 1312143572 /nfs/dbraw/zinc/14/35/72/1312143572.db2.gz YOYNCKPDXDKLFT-NSHDSACASA-O 0 1 344.387 2.831 20 5 EFBDMN Cc1cc(=O)oc2c1ccc(O[C@H]1CC[N@H+](C(C)C)C1)c2[N+](=O)[O-] ZINC001229942552 1312162001 /nfs/dbraw/zinc/16/20/01/1312162001.db2.gz ISDZJWVSVXQXSN-LBPRGKRZSA-N 0 1 332.356 2.871 20 5 EFBDMN Cc1cc(=O)oc2c1ccc(O[C@@H]1CC[N@H+](C(C)C)C1)c2[N+](=O)[O-] ZINC001229942551 1312162285 /nfs/dbraw/zinc/16/22/85/1312162285.db2.gz ISDZJWVSVXQXSN-GFCCVEGCSA-N 0 1 332.356 2.871 20 5 EFBDMN C[C@H](Oc1nc[nH]c(=O)c1Cl)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001230013616 1312170906 /nfs/dbraw/zinc/17/09/06/1312170906.db2.gz HVAAKCRLSZHUAM-LURJTMIESA-N 0 1 339.691 2.613 20 5 EFBDMN O=[N+]([O-])c1c(Br)cccc1O[C@H]1CN2CCC1CC2 ZINC001230326982 1312222982 /nfs/dbraw/zinc/22/29/82/1312222982.db2.gz XPHJXYFNTQMGIP-LBPRGKRZSA-N 0 1 327.178 2.830 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NCc1noc2c1CNCC2 ZINC001163129904 1312246628 /nfs/dbraw/zinc/24/66/28/1312246628.db2.gz PWOXBHJICJCKPS-UHFFFAOYSA-N 0 1 343.318 2.528 20 5 EFBDMN O=[N+]([O-])c1cc(NCc2noc3c2CNCC3)ccc1C(F)(F)F ZINC001163131995 1312248331 /nfs/dbraw/zinc/24/83/31/1312248331.db2.gz RUGAZHSZTLNWRX-UHFFFAOYSA-N 0 1 342.277 2.859 20 5 EFBDMN C[N@@H+]1CCc2c(N[C@@H]3C[NH2+]Cc4ccsc43)ccc([N+](=O)[O-])c2C1 ZINC001163230205 1312269946 /nfs/dbraw/zinc/26/99/46/1312269946.db2.gz NAPMAVWJSVFAEJ-OAHLLOKOSA-N 0 1 344.440 2.901 20 5 EFBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC[C@H]1CC[C@@]2(CCCCO2)O1 ZINC001230602284 1312279752 /nfs/dbraw/zinc/27/97/52/1312279752.db2.gz YWNXVKQVLNCAFR-MLGOLLRUSA-N 0 1 333.344 2.926 20 5 EFBDMN COC(=O)C[C@H]1CCC[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230602060 1312280150 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COC(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OCC4)cc([N+](=O)[O-])c1 ZINC001251528864 1315353527 /nfs/dbraw/zinc/35/35/27/1315353527.db2.gz IFLWYGMSWLVYFN-UHFFFAOYSA-N 0 1 339.307 2.860 20 5 EFBDMN COC(=O)c1cccc(-c2nc3ccc(N(C)C)cc3[nH]2)c1[N+](=O)[O-] ZINC001251638790 1315362384 /nfs/dbraw/zinc/36/23/84/1315362384.db2.gz QSCUVFSSUQLFRL-UHFFFAOYSA-N 0 1 340.339 2.991 20 5 EFBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC1CC(=O)C1 ZINC001220018397 1315365052 /nfs/dbraw/zinc/36/50/52/1315365052.db2.gz BJQRIXVOOAXBNV-FQEVSTJZSA-N 0 1 332.403 2.711 20 5 EFBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@H]1C[C@@H](O)C1 ZINC001220191982 1315381697 /nfs/dbraw/zinc/38/16/97/1315381697.db2.gz VHUUTJWMASRRTP-OXTHUFEASA-N 0 1 348.446 2.750 20 5 EFBDMN C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ncc(F)cn1 ZINC001254468219 1315707125 /nfs/dbraw/zinc/70/71/25/1315707125.db2.gz HDHLFYDAAKFDAJ-GFCCVEGCSA-N 0 1 345.378 2.844 20 5 EFBDMN CC1(C)CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1=O ZINC001254480154 1315708077 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2.813 20 5 EFBDMN COc1cc(N2CCC(N3CC(OC(C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256102313 1315904848 /nfs/dbraw/zinc/90/48/48/1315904848.db2.gz ZNEJZDCLWCDMDL-UHFFFAOYSA-N 0 1 349.431 2.681 20 5 EFBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cc1 ZINC001256175530 1315912986 /nfs/dbraw/zinc/91/29/86/1315912986.db2.gz MXQBGEXZZAYHBX-UHFFFAOYSA-N 0 1 335.263 2.743 20 5 EFBDMN C[C@H]1C[C@H]1c1nnc(-c2cc([N+](=O)[O-])cc(N3CCN(C)CC3)c2)o1 ZINC001256761528 1315990460 /nfs/dbraw/zinc/99/04/60/1315990460.db2.gz LNXJDUHYZVSESA-XHDPSFHLSA-N 0 1 343.387 2.520 20 5 EFBDMN Cc1ccc(-c2nnc(CCN3C[C@@H](C)O[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC001258144617 1316124437 /nfs/dbraw/zinc/12/44/37/1316124437.db2.gz DCLXVEZMWZFCHS-CHWSQXEVSA-N 0 1 346.387 2.605 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCN(C4CCC4)CC3)c2c1 ZINC001261653503 1316423115 /nfs/dbraw/zinc/42/31/15/1316423115.db2.gz NJPDOZVQNBRIGY-UHFFFAOYSA-N 0 1 347.806 2.866 20 5 EFBDMN O=[N+]([O-])c1c(NCCN2CCCOCC2)cccc1C(F)(F)F ZINC001262065633 1316446810 /nfs/dbraw/zinc/44/68/10/1316446810.db2.gz GGNGVEPFFKUCLC-UHFFFAOYSA-N 0 1 333.310 2.748 20 5 EFBDMN CCc1ccc(-c2n[nH]c(SCCn3ccc([N+](=O)[O-])n3)n2)cc1 ZINC001318921293 1328741910 /nfs/dbraw/zinc/74/19/10/1328741910.db2.gz QSYVUADJVGIVEQ-UHFFFAOYSA-N 0 1 344.400 2.931 20 5 EFBDMN Cc1c(C(=O)OCCOc2cccc([N+](=O)[O-])c2)ccc2cncn21 ZINC001320184915 1329102067 /nfs/dbraw/zinc/10/20/67/1329102067.db2.gz WQSOEXIGBSRYPN-UHFFFAOYSA-N 0 1 341.323 2.787 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001307209564 1324751122 /nfs/dbraw/zinc/75/11/22/1324751122.db2.gz FSPMECMHFXUAOV-HOCLYGCPSA-N 0 1 334.420 2.601 20 5 EFBDMN Cc1c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccc2cncn21 ZINC001321230807 1329360357 /nfs/dbraw/zinc/36/03/57/1329360357.db2.gz FKCHQGJHQDIHEL-UHFFFAOYSA-N 0 1 338.367 2.866 20 5 EFBDMN CC(C)(C)N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC001317989815 1328471486 /nfs/dbraw/zinc/47/14/86/1328471486.db2.gz DWOIMJAAXVIQPA-UHFFFAOYSA-N 0 1 330.388 2.632 20 5 EFBDMN CCc1[nH]nc(C(=O)N(CCc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC001322018122 1329422497 /nfs/dbraw/zinc/42/24/97/1329422497.db2.gz ORUXEUREISNCOD-UHFFFAOYSA-N 0 1 330.388 2.974 20 5 EFBDMN Cc1cncc([N+](=O)[O-])c1N1CCN(CCc2cccs2)CC1 ZINC001322478686 1329461624 /nfs/dbraw/zinc/46/16/24/1329461624.db2.gz GZMAQLJFIUWWKC-UHFFFAOYSA-N 0 1 332.429 2.724 20 5 EFBDMN C[C@H](c1nc([C@H]2CN3CCC2CC3)no1)c1cccc([N+](=O)[O-])c1 ZINC001323556104 1329551317 /nfs/dbraw/zinc/55/13/17/1329551317.db2.gz FYLCJWDOYKWQRP-NHYWBVRUSA-N 0 1 328.372 2.939 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC001327149955 1330431187 /nfs/dbraw/zinc/43/11/87/1330431187.db2.gz HSZKXRALBQDYRS-RDTXWAMCSA-N 0 1 342.399 2.917 20 5 EFBDMN C[C@@H](CN1CCN(C)CC1)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001333361893 1331125085 /nfs/dbraw/zinc/12/50/85/1331125085.db2.gz AMPLIWLKKRWJHP-NSHDSACASA-N 0 1 346.353 2.661 20 5 EFBDMN O=C(Nc1nnc(-c2ccncc2)s1)c1cc(F)ccc1[N+](=O)[O-] ZINC001333523461 1331159980 /nfs/dbraw/zinc/15/99/80/1331159980.db2.gz UOCJGYBZPNPUIN-UHFFFAOYSA-N 0 1 345.315 2.900 20 5 EFBDMN COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 ZINC001333664911 1331190759 /nfs/dbraw/zinc/19/07/59/1331190759.db2.gz CFMZWXJTSOUERE-UHFFFAOYSA-N 0 1 342.399 2.629 20 5 EFBDMN Cc1c(NC(=O)[C@@H](C)N2CCN(C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC001334169007 1331259278 /nfs/dbraw/zinc/25/92/78/1331259278.db2.gz DKWGAVBMBCXRGR-CQSZACIVSA-N 0 1 348.447 2.646 20 5 EFBDMN COc1cc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC001337724587 1331594930 /nfs/dbraw/zinc/59/49/30/1331594930.db2.gz HZDRQWOUUDIAOA-LBPRGKRZSA-N 0 1 343.387 2.983 20 5 EFBDMN COc1cc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC001337724587 1331594934 /nfs/dbraw/zinc/59/49/34/1331594934.db2.gz HZDRQWOUUDIAOA-LBPRGKRZSA-N 0 1 343.387 2.983 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCS[C@@H]1C(F)(F)F ZINC001338043740 1331640401 /nfs/dbraw/zinc/64/04/01/1331640401.db2.gz ZVAHTFSPSRYADD-LLVKDONJSA-N 0 1 346.290 2.549 20 5 EFBDMN Cc1nc(NC[C@@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC001338095287 1331651940 /nfs/dbraw/zinc/65/19/40/1331651940.db2.gz GNKPVXMYGFMSJV-HOCLYGCPSA-N 0 1 334.420 2.601 20 5 EFBDMN C[C@H]1CC[C@H](C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])C1 ZINC001339066821 1331781806 /nfs/dbraw/zinc/78/18/06/1331781806.db2.gz YVDWGPOCJICRJF-KBPBESRZSA-N 0 1 346.431 2.721 20 5 EFBDMN CCOc1ccc([C@H](C)NCc2c(C)c(C)n[nH]c2=O)cc1[N+](=O)[O-] ZINC001341693350 1332277732 /nfs/dbraw/zinc/27/77/32/1332277732.db2.gz WMKYCUPYAZBLQV-LBPRGKRZSA-N 0 1 346.387 2.957 20 5 EFBDMN O=C(CCNc1ccccc1[N+](=O)[O-])OCc1cc(C2CC2)[nH]n1 ZINC000848015311 1334154553 /nfs/dbraw/zinc/15/45/53/1334154553.db2.gz YDASLGILGGQPJK-UHFFFAOYSA-N 0 1 330.344 2.741 20 5 EFBDMN COC(=O)CCN(Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C(C)C ZINC000848478027 1334736093 /nfs/dbraw/zinc/73/60/93/1334736093.db2.gz ATFNJYMBQGOULE-UHFFFAOYSA-N 0 1 346.387 2.689 20 5 EFBDMN CCOC1CC(N(C)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848486314 1334741416 /nfs/dbraw/zinc/74/14/16/1334741416.db2.gz FZMAKOBJXLLXLJ-UHFFFAOYSA-N 0 1 330.388 2.915 20 5 EFBDMN CC(C)(C)OC(=O)N1CC(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848531693 1334777986 /nfs/dbraw/zinc/77/79/86/1334777986.db2.gz RSVXGKDLRLDGLC-CQSZACIVSA-N 0 1 333.388 2.791 20 5 EFBDMN O=[N+]([O-])c1cc(F)c(Cl)cc1NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000848748663 1334872687 /nfs/dbraw/zinc/87/26/87/1334872687.db2.gz QJZUFXUPWQLBRA-NSHDSACASA-N 0 1 341.730 2.969 20 5 EFBDMN O=[N+]([O-])c1ccc(CNCc2n[nH]c([C@H]3CCCO3)n2)cc1Cl ZINC000848924127 1334989689 /nfs/dbraw/zinc/98/96/89/1334989689.db2.gz OGNPPLDCXPWTKJ-GFCCVEGCSA-N 0 1 337.767 2.508 20 5 EFBDMN CC(C)(O)CN1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001356498485 1335044645 /nfs/dbraw/zinc/04/46/45/1335044645.db2.gz GECCGAQLUZXSGZ-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001357291339 1335297162 /nfs/dbraw/zinc/29/71/62/1335297162.db2.gz KRUSNTLQRUKEGT-ZFWWWQNUSA-N 0 1 334.420 2.748 20 5 EFBDMN CO[C@H](CS(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C1CCCC1 ZINC000849304662 1335591333 /nfs/dbraw/zinc/59/13/33/1335591333.db2.gz UNMZYPNQKLKWJM-CQSZACIVSA-N 0 1 346.380 2.681 20 5 EFBDMN CN(CCOC(=O)Cc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC001559829839 1415256747 /nfs/dbraw/zinc/25/67/47/1415256747.db2.gz CZVNAOOTCBBFLU-UHFFFAOYSA-N 0 1 342.395 2.855 20 5 EFBDMN Cc1nn(CN2CC[C@@H]3OCCC[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000245927323 1419515697 /nfs/dbraw/zinc/51/56/97/1419515697.db2.gz UHIZSVPBGBVZHI-GUYCJALGSA-N 0 1 330.388 2.711 20 5 EFBDMN C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824613923 1426495119 /nfs/dbraw/zinc/49/51/19/1426495119.db2.gz YLUVWKZYWUMGBU-SNVBAGLBSA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000820426382 1429798669 /nfs/dbraw/zinc/79/86/69/1429798669.db2.gz JESHZYNFWXQNMF-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824618606 1443894595 /nfs/dbraw/zinc/89/45/95/1443894595.db2.gz QCBGOARYUXTNNI-SNVBAGLBSA-N 0 1 342.334 2.765 20 5 EFBDMN CC(=O)c1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120088078 712912375 /nfs/dbraw/zinc/91/23/75/712912375.db2.gz OUDAHKWZAQXHKT-UHFFFAOYSA-N 0 1 326.355 2.660 20 5 EFBDMN CC[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000120161367 712965491 /nfs/dbraw/zinc/96/54/91/712965491.db2.gz VHGISFAARHKRQW-SNVBAGLBSA-N 0 1 345.402 2.691 20 5 EFBDMN CCOc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000120205409 713001026 /nfs/dbraw/zinc/00/10/26/713001026.db2.gz UGABHOIYGAIMMB-UHFFFAOYSA-N 0 1 346.361 2.995 20 5 EFBDMN COc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)c1 ZINC000120234161 713024154 /nfs/dbraw/zinc/02/41/54/713024154.db2.gz SKDGXRLOCJOVOO-UHFFFAOYSA-N 0 1 328.371 2.774 20 5 EFBDMN CN(Cc1ccccc1)C1CN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000804811714 713478589 /nfs/dbraw/zinc/47/85/89/713478589.db2.gz AVMLWEBEWKSLIP-UHFFFAOYSA-N 0 1 337.383 2.563 20 5 EFBDMN COc1c(O)ccc(C[N@@H+](C)C2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000891787682 715018356 /nfs/dbraw/zinc/01/83/56/715018356.db2.gz TZRLBNKWNZHCHZ-UHFFFAOYSA-N 0 1 328.368 2.908 20 5 EFBDMN CC1CCN(CCNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891830442 715047063 /nfs/dbraw/zinc/04/70/63/715047063.db2.gz RVEDSMOBKOIIBZ-UHFFFAOYSA-N 0 1 344.415 2.591 20 5 EFBDMN CCC[C@H](C)NC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000934043819 715180491 /nfs/dbraw/zinc/18/04/91/715180491.db2.gz OPOVCKCXSZDXLI-ZDUSSCGKSA-N 0 1 349.435 2.657 20 5 EFBDMN CN(C)Cc1ccnc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000934158575 715232196 /nfs/dbraw/zinc/23/21/96/715232196.db2.gz SPLRBZJJUKRZIN-JKSUJKDBSA-N 0 1 340.383 2.794 20 5 EFBDMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000263546928 715292502 /nfs/dbraw/zinc/29/25/02/715292502.db2.gz HSTXYJQGZZIOFA-LBPRGKRZSA-N 0 1 341.795 2.624 20 5 EFBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000934574375 715685576 /nfs/dbraw/zinc/68/55/76/715685576.db2.gz GIHRQOHATVUPAF-HZMBPMFUSA-N 0 1 335.429 2.529 20 5 EFBDMN CCC[C@H](NCCS(=O)(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000840880688 718148141 /nfs/dbraw/zinc/14/81/41/718148141.db2.gz FDPMWKAEFGRGHO-HNNXBMFYSA-N 0 1 326.418 2.603 20 5 EFBDMN COCc1cccc(CNCc2ccc(O)c(OC)c2[N+](=O)[O-])c1 ZINC000892589240 718316792 /nfs/dbraw/zinc/31/67/92/718316792.db2.gz MVKWTAPOQFUZSV-UHFFFAOYSA-N 0 1 332.356 2.745 20 5 EFBDMN COc1c(O)ccc(CNC[C@@H](OC)c2ccccc2)c1[N+](=O)[O-] ZINC000892658117 718385776 /nfs/dbraw/zinc/38/57/76/718385776.db2.gz HVDYFRVKHQDCLN-OAHLLOKOSA-N 0 1 332.356 2.786 20 5 EFBDMN CC(C)C(=O)N1CC2(C1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000981631217 718907839 /nfs/dbraw/zinc/90/78/39/718907839.db2.gz UUQWUNTUAHOJLU-UHFFFAOYSA-N 0 1 331.416 2.675 20 5 EFBDMN C/C=C(\C)C(=O)N1CC2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981698731 718954931 /nfs/dbraw/zinc/95/49/31/718954931.db2.gz JRGAZQKLSFNZSM-CRKCGEKBSA-N 0 1 343.427 2.985 20 5 EFBDMN CCC(=O)N1CCC(CN(C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001029922715 724561301 /nfs/dbraw/zinc/56/13/01/724561301.db2.gz YZBIOILPXPYFLK-UHFFFAOYSA-N 0 1 325.434 2.737 20 5 EFBDMN Cc1nc([C@@H](C)OC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000840580840 719148997 /nfs/dbraw/zinc/14/89/97/719148997.db2.gz UELHICPFPOWXLV-ZCFIWIBFSA-N 0 1 344.249 2.958 20 5 EFBDMN COC(=O)N1CCC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892807870 719198702 /nfs/dbraw/zinc/19/87/02/719198702.db2.gz ZMJDYCXKEUWYSR-GFCCVEGCSA-N 0 1 327.768 2.569 20 5 EFBDMN C[C@H]1CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)[C@@H](C)CN1C ZINC001164643543 719233528 /nfs/dbraw/zinc/23/35/28/719233528.db2.gz ZEBMVSRSDNQFDK-STQMWFEESA-N 0 1 327.388 2.581 20 5 EFBDMN CN(Cc1csc([N+](=O)[O-])c1)CC1CCN(C(=O)C(F)F)CC1 ZINC001029924448 724573315 /nfs/dbraw/zinc/57/33/15/724573315.db2.gz NOILNAIUUZCHOH-UHFFFAOYSA-N 0 1 347.387 2.592 20 5 EFBDMN C[C@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@@H](C)CN1C ZINC001164633925 719244356 /nfs/dbraw/zinc/24/43/56/719244356.db2.gz LMHYIQJBACWKCH-STQMWFEESA-N 0 1 327.388 2.581 20 5 EFBDMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)c1cccs1 ZINC001025658681 719289366 /nfs/dbraw/zinc/28/93/66/719289366.db2.gz PLYBINKYZWHTJT-FOLVSLTJSA-N 0 1 343.408 2.517 20 5 EFBDMN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1ccsc1 ZINC001025666975 719290959 /nfs/dbraw/zinc/29/09/59/719290959.db2.gz SOFFEOGICYDWHB-FOLVSLTJSA-N 0 1 343.408 2.517 20 5 EFBDMN O=C(N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1)C1(F)CCCC1 ZINC001020328963 719490132 /nfs/dbraw/zinc/49/01/32/719490132.db2.gz TUBWTWJCSBFMQR-HAQNSBGRSA-N 0 1 341.408 2.675 20 5 EFBDMN CC(C)(C)N1CC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000897332045 724593306 /nfs/dbraw/zinc/59/33/06/724593306.db2.gz AHUXICYGKYWKPA-CYBMUJFWSA-N 0 1 339.823 2.780 20 5 EFBDMN C[C@]12CN(Cc3cccc([N+](=O)[O-])c3)C[C@@]1(C)CN(C(=O)C1CC1)C2 ZINC000982183570 719646529 /nfs/dbraw/zinc/64/65/29/719646529.db2.gz CEXZORXJMKKGEC-KDURUIRLSA-N 0 1 343.427 2.675 20 5 EFBDMN C[C@]12CN(Cc3ccccc3[N+](=O)[O-])C[C@@]1(C)CN(C(=O)C1CC1)C2 ZINC000982183924 719647232 /nfs/dbraw/zinc/64/72/32/719647232.db2.gz TUJJQEPVJYOWJS-KDURUIRLSA-N 0 1 343.427 2.675 20 5 EFBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cnn(CC4CCC4)c3)CC2)n1 ZINC000894078215 720271218 /nfs/dbraw/zinc/27/12/18/720271218.db2.gz HKOJKJAAOHMNFG-UHFFFAOYSA-N 0 1 344.419 2.625 20 5 EFBDMN COc1c(O)ccc(CN2CCC[C@@H](CSC)C2)c1[N+](=O)[O-] ZINC000894599146 722794066 /nfs/dbraw/zinc/79/40/66/722794066.db2.gz PMXOGDPPDGHATB-LLVKDONJSA-N 0 1 326.418 2.884 20 5 EFBDMN O=C(OCc1c(Cl)nc2sccn21)c1ccc([N+](=O)[O-])[nH]1 ZINC000917944924 728809363 /nfs/dbraw/zinc/80/93/63/728809363.db2.gz QIZUAMCFGQGUNS-UHFFFAOYSA-N 0 1 326.721 2.643 20 5 EFBDMN CC(C)C[C@H]1C[N@@H+](C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000896649986 723423210 /nfs/dbraw/zinc/42/32/10/723423210.db2.gz APDNAWUINHUEQQ-NSHDSACASA-N 0 1 335.433 2.766 20 5 EFBDMN COc1c(O)ccc(CNCc2ccc3c(c2)C[C@H](C)O3)c1[N+](=O)[O-] ZINC000896827743 723509519 /nfs/dbraw/zinc/50/95/19/723509519.db2.gz BSIKMTLZCGQGPC-NSHDSACASA-N 0 1 344.367 2.922 20 5 EFBDMN C[C@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@@H]1CN(C)CCN1C ZINC000895246533 723940878 /nfs/dbraw/zinc/94/08/78/723940878.db2.gz DBYJDGWJPGTRQQ-ZANVPECISA-N 0 1 347.246 2.948 20 5 EFBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000895247491 723941717 /nfs/dbraw/zinc/94/17/17/723941717.db2.gz UTKKGZDNQNLYDM-IINYFYTJSA-N 0 1 346.353 2.660 20 5 EFBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CN(C)CCN1C ZINC000895247491 723941724 /nfs/dbraw/zinc/94/17/24/723941724.db2.gz UTKKGZDNQNLYDM-IINYFYTJSA-N 0 1 346.353 2.660 20 5 EFBDMN CC(C)C(=O)N1CCC(N(C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000985276101 724056330 /nfs/dbraw/zinc/05/63/30/724056330.db2.gz GJLFWOXQVOJZFR-UHFFFAOYSA-N 0 1 325.434 2.735 20 5 EFBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC2(CC1)C[C@H](O)CCO2 ZINC000897262071 724145631 /nfs/dbraw/zinc/14/56/31/724145631.db2.gz UFJHYVCNUKXGJH-OICCZTGUSA-N 0 1 332.400 2.614 20 5 EFBDMN Cc1cc(N2CC[C@@H](C3OCCO3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000895525554 724177966 /nfs/dbraw/zinc/17/79/66/724177966.db2.gz YGOVGUMOJCYYLW-GFCCVEGCSA-N 0 1 329.356 2.651 20 5 EFBDMN CCO/C=C\[C@](O)(CNCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000895711119 724270598 /nfs/dbraw/zinc/27/05/98/724270598.db2.gz YPTMPRDUHPANFY-WSROAFLRSA-N 0 1 334.294 2.528 20 5 EFBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H](CO)C[C@H]1CCCO1 ZINC000895747441 724293285 /nfs/dbraw/zinc/29/32/85/724293285.db2.gz HYOCWMNJKCLWLM-VXGBXAGGSA-N 0 1 349.214 2.921 20 5 EFBDMN O=[N+]([O-])c1cccc(Br)c1CNC1(CO)CCCC1 ZINC000930045167 728943988 /nfs/dbraw/zinc/94/39/88/728943988.db2.gz LQQYLOKSFFMVDR-UHFFFAOYSA-N 0 1 329.194 2.752 20 5 EFBDMN Cc1ccc([C@H](O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174652147 725518471 /nfs/dbraw/zinc/51/84/71/725518471.db2.gz ZHHVCXWUYSBWBO-LJQANCHMSA-N 0 1 341.411 2.759 20 5 EFBDMN COc1ccc(COC(=O)[C@@H](C(C)C)N2CCCC2)cc1[N+](=O)[O-] ZINC000741013400 725585990 /nfs/dbraw/zinc/58/59/90/725585990.db2.gz JRNWIIYZVOVEOZ-MRXNPFEDSA-N 0 1 336.388 2.767 20 5 EFBDMN N=C1Nc2nc3ccccc3n2[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 ZINC000152018717 725905888 /nfs/dbraw/zinc/90/58/88/725905888.db2.gz ZLGZQNCKORTPJP-ZDUSSCGKSA-N 0 1 342.746 2.694 20 5 EFBDMN CN(CCc1ccccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000731671830 726911911 /nfs/dbraw/zinc/91/19/11/726911911.db2.gz VWOWLGLTXVAUCZ-UHFFFAOYSA-N 0 1 331.347 2.507 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)c1ccc(F)cc1F ZINC000915355190 726958326 /nfs/dbraw/zinc/95/83/26/726958326.db2.gz IWOTVVODNVFRAH-OAHLLOKOSA-N 0 1 338.310 2.705 20 5 EFBDMN Cc1[nH]nc(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000732146799 726998385 /nfs/dbraw/zinc/99/83/85/726998385.db2.gz LGROWQZHEBVSDZ-SIVJFFJCSA-N 0 1 344.371 2.617 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@H](c4ccco4)C3)n2)c1 ZINC000732181794 727001372 /nfs/dbraw/zinc/00/13/72/727001372.db2.gz AGUUGRSVXFABQD-AWEZNQCLSA-N 0 1 339.355 2.893 20 5 EFBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCCN1C ZINC000732264827 727011923 /nfs/dbraw/zinc/01/19/23/727011923.db2.gz YCBORAFWPBRVGV-AWEZNQCLSA-N 0 1 325.796 2.691 20 5 EFBDMN CC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032586851 727134204 /nfs/dbraw/zinc/13/42/04/727134204.db2.gz FOBYLPBXVLNQKA-UHFFFAOYSA-N 0 1 334.353 2.907 20 5 EFBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCCN1CC=CCC1 ZINC000888283188 727195311 /nfs/dbraw/zinc/19/53/11/727195311.db2.gz JSNPGPRGJLQLNX-UHFFFAOYSA-N 0 1 338.795 2.940 20 5 EFBDMN COc1c(C(=O)N2CCN(C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000908570496 727217857 /nfs/dbraw/zinc/21/78/57/727217857.db2.gz FWBJQNHOFBOMFO-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN CCCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000911512405 727553576 /nfs/dbraw/zinc/55/35/76/727553576.db2.gz QLAMBMMOMNFNJI-NSHDSACASA-N 0 1 343.786 2.944 20 5 EFBDMN O=C(Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1)c1ccco1 ZINC000916956985 727747325 /nfs/dbraw/zinc/74/73/25/727747325.db2.gz RCMUMHOVPDPFNJ-UHFFFAOYSA-N 0 1 341.279 2.987 20 5 EFBDMN C[C@@H]1CCCC[N@H+]1CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000917069430 727763775 /nfs/dbraw/zinc/76/37/75/727763775.db2.gz WXVZCDYYTLADFX-STMXVASLSA-N 0 1 333.388 2.979 20 5 EFBDMN O=C([O-])/C=C\c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000917081610 727765953 /nfs/dbraw/zinc/76/59/53/727765953.db2.gz BGKGBXNFCSBOKR-BVUKWYMNSA-N 0 1 331.372 2.731 20 5 EFBDMN O=C([O-])/C=C/c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000917081613 727765956 /nfs/dbraw/zinc/76/59/56/727765956.db2.gz BGKGBXNFCSBOKR-IOKDEZFASA-N 0 1 331.372 2.731 20 5 EFBDMN CNc1ccc(C(=O)Nc2nc(-c3cccs3)n[nH]2)cc1[N+](=O)[O-] ZINC000917126915 727772894 /nfs/dbraw/zinc/77/28/94/727772894.db2.gz QZCMTUHRKZVRSC-UHFFFAOYSA-N 0 1 344.356 2.735 20 5 EFBDMN CC(C)(CCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1)[N+](=O)[O-] ZINC000913511494 727859926 /nfs/dbraw/zinc/85/99/26/727859926.db2.gz VJVXKAGHLZAVCB-KRWDZBQOSA-N 0 1 342.399 2.719 20 5 EFBDMN Cc1cccc2c1CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000170921984 728496090 /nfs/dbraw/zinc/49/60/90/728496090.db2.gz VACZZNLIFFZCPA-KRWDZBQOSA-N 0 1 342.395 2.701 20 5 EFBDMN O=C1[C@H](N2CCC3(CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000173827590 728636595 /nfs/dbraw/zinc/63/65/95/728636595.db2.gz RBEYTQASNPPKDQ-MRXNPFEDSA-N 0 1 329.400 2.966 20 5 EFBDMN Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])[nH]2)c(Cl)c1 ZINC000920335486 729174525 /nfs/dbraw/zinc/17/45/25/729174525.db2.gz PAPOELZMQKQECQ-UHFFFAOYSA-N 0 1 337.719 2.680 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccs1 ZINC000064620803 729501243 /nfs/dbraw/zinc/50/12/43/729501243.db2.gz WCWFVJUPJGUYTB-ZDUSSCGKSA-N 0 1 337.376 2.828 20 5 EFBDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001589605871 949264987 /nfs/dbraw/zinc/26/49/87/949264987.db2.gz YAONDGODZKASOX-QGZVFWFLSA-N 0 1 336.388 2.941 20 5 EFBDMN O=C([O-])CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001595019316 951314029 /nfs/dbraw/zinc/31/40/29/951314029.db2.gz RKHAJKIYOICRSV-CYBMUJFWSA-N 0 1 349.387 2.500 20 5 EFBDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001589280293 953495610 /nfs/dbraw/zinc/49/56/10/953495610.db2.gz CIBBAIWLUQYALD-DGCLKSJQSA-N 0 1 345.355 2.792 20 5 EFBDMN O=C([O-])[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC001594843379 954103054 /nfs/dbraw/zinc/10/30/54/954103054.db2.gz KOMDLBTZFYQBSC-OAHLLOKOSA-N 0 1 344.302 2.526 20 5 EFBDMN CC[C@@H](C(=O)[O-])[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001589445989 954762393 /nfs/dbraw/zinc/76/23/93/954762393.db2.gz BIAKXZVMKQCFGI-NSHDSACASA-N 0 1 343.177 2.579 20 5 EFBDMN CC[C@@H](C(=O)[O-])[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001589445989 954762405 /nfs/dbraw/zinc/76/24/05/954762405.db2.gz BIAKXZVMKQCFGI-NSHDSACASA-N 0 1 343.177 2.579 20 5 EFBDMN CC[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)[C@@H](C)C(=O)[O-] ZINC000707972597 954989787 /nfs/dbraw/zinc/98/97/87/954989787.db2.gz NYGJYXZFYKTNIL-QMMMGPOBSA-N 0 1 331.166 2.652 20 5 EFBDMN O=C([O-])C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000236414776 960562813 /nfs/dbraw/zinc/56/28/13/960562813.db2.gz JHQDTHGKJVJQRS-UHFFFAOYSA-N 0 1 343.177 2.654 20 5 EFBDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001573822710 960978714 /nfs/dbraw/zinc/97/87/14/960978714.db2.gz ROBDMOVWAMSONU-MRXNPFEDSA-N 0 1 332.360 2.548 20 5 EFBDMN COc1cc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001604709613 973912736 /nfs/dbraw/zinc/91/27/36/973912736.db2.gz ZWSAZTRNQFOORH-NSHDSACASA-N 0 1 326.324 2.572 20 5 EFBDMN CC(C)[N@H+]1CC[C@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844209052 979361120 /nfs/dbraw/zinc/36/11/20/979361120.db2.gz ZOMJXFRGGRNBGP-KXQLTZBTSA-N 0 1 333.388 2.835 20 5 EFBDMN C[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000844212013 979367648 /nfs/dbraw/zinc/36/76/48/979367648.db2.gz NYIFWTXSBDWFBE-ZDUSSCGKSA-N 0 1 347.415 2.533 20 5 EFBDMN Cc1ccc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000872161399 980049505 /nfs/dbraw/zinc/04/95/05/980049505.db2.gz ZAWZYFRVUBIFMX-CYBMUJFWSA-N 0 1 332.278 2.742 20 5 EFBDMN O=C([O-])c1cccc2c1OCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000903920682 981038891 /nfs/dbraw/zinc/03/88/91/981038891.db2.gz GOVSYTZHIQSQCS-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000903928780 981049148 /nfs/dbraw/zinc/04/91/48/981049148.db2.gz QXMSVQIOMZZEMQ-QGZVFWFLSA-N 0 1 342.351 2.658 20 5 EFBDMN CC[N@H+](CC(=O)[O-])Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC001596224839 983615511 /nfs/dbraw/zinc/61/55/11/983615511.db2.gz DMQOJQYGJUOIEL-UHFFFAOYSA-N 0 1 334.328 2.770 20 5 EFBDMN CC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC001596224839 983615512 /nfs/dbraw/zinc/61/55/12/983615512.db2.gz DMQOJQYGJUOIEL-UHFFFAOYSA-N 0 1 334.328 2.770 20 5 EFBDMN CC[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC001596356655 983826613 /nfs/dbraw/zinc/82/66/13/983826613.db2.gz VNARXAFHWDMHNJ-KRWDZBQOSA-N 0 1 344.367 2.849 20 5 EFBDMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC001596356655 983826616 /nfs/dbraw/zinc/82/66/16/983826616.db2.gz VNARXAFHWDMHNJ-KRWDZBQOSA-N 0 1 344.367 2.849 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C(=O)[O-])c(C)n1C ZINC001597142467 986887202 /nfs/dbraw/zinc/88/72/02/986887202.db2.gz AASMTSYQZPUPCM-UHFFFAOYSA-N 0 1 347.371 2.628 20 5 EFBDMN C[N@@H+](CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001598495194 992349889 /nfs/dbraw/zinc/34/98/89/992349889.db2.gz BBSSJBYYIMODDU-UHFFFAOYSA-N 0 1 347.346 2.976 20 5 EFBDMN C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598525402 992713493 /nfs/dbraw/zinc/71/34/93/992713493.db2.gz GKSDWSYEQMGHGZ-UHFFFAOYSA-N 0 1 344.323 2.654 20 5 EFBDMN C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598525402 992713500 /nfs/dbraw/zinc/71/35/00/992713500.db2.gz GKSDWSYEQMGHGZ-UHFFFAOYSA-N 0 1 344.323 2.654 20 5 EFBDMN C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001598577574 993301022 /nfs/dbraw/zinc/30/10/22/993301022.db2.gz CPGSTGOJELDXPU-UHFFFAOYSA-N 0 1 325.752 2.620 20 5 EFBDMN C[C@]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001593286913 994650009 /nfs/dbraw/zinc/65/00/09/994650009.db2.gz ZXJXGUGGVHSEOY-MRXNPFEDSA-N 0 1 336.294 2.963 20 5 EFBDMN C[C@@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001593373687 995068671 /nfs/dbraw/zinc/06/86/71/995068671.db2.gz HHMKKYLFMZQOCX-NEPJUHHUSA-N 0 1 348.403 2.753 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001593738547 996349026 /nfs/dbraw/zinc/34/90/26/996349026.db2.gz XISQKLRNDZEBAC-OPQQBVKSSA-N 0 1 346.343 2.501 20 5 EFBDMN CC1(C)CCC[N@H+]1CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001593911107 996800228 /nfs/dbraw/zinc/80/02/28/996800228.db2.gz WQLCDRWGEGAIJR-FNORWQNLSA-N 0 1 333.388 2.979 20 5 EFBDMN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001599193138 997161177 /nfs/dbraw/zinc/16/11/77/997161177.db2.gz XRQLIPQZXJFOMF-QGZVFWFLSA-N 0 1 336.388 2.784 20 5 EFBDMN COC[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001599193138 997161183 /nfs/dbraw/zinc/16/11/83/997161183.db2.gz XRQLIPQZXJFOMF-QGZVFWFLSA-N 0 1 336.388 2.784 20 5 EFBDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001594167900 998648223 /nfs/dbraw/zinc/64/82/23/998648223.db2.gz SNZUSXKFANNXDM-WPRPVWTQSA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001594167900 998648227 /nfs/dbraw/zinc/64/82/27/998648227.db2.gz SNZUSXKFANNXDM-WPRPVWTQSA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC[N@H+]1C ZINC001594245830 998940662 /nfs/dbraw/zinc/94/06/62/998940662.db2.gz OXFLNXYNGHTBFU-VHSXEESVSA-N 0 1 341.795 2.865 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCc2sc(CN)nc2C1 ZINC001574979997 1088185480 /nfs/dbraw/zinc/18/54/80/1088185480.db2.gz OTCQIUKCHBWBIR-GHXNOFRVSA-N 0 1 344.440 2.972 20 5 EFBDMN CC[C@@H](NC(=O)N[C@@H](c1c[nH]nn1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001576603233 1089351880 /nfs/dbraw/zinc/35/18/80/1089351880.db2.gz OKAFKQYUGAWYHZ-UKRRQHHQSA-N 0 1 346.391 2.861 20 5 EFBDMN O=[N+]([O-])c1ccc(N(Cc2c[nH]nn2)C2CC2)nc1-c1ccccc1 ZINC001578048033 1090235873 /nfs/dbraw/zinc/23/58/73/1090235873.db2.gz MCHHKCBULYQTFV-UHFFFAOYSA-N 0 1 336.355 2.944 20 5 EFBDMN COc1ccc([C@@H](C)NC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)cc1 ZINC001579193938 1090542230 /nfs/dbraw/zinc/54/22/30/1090542230.db2.gz YDIWXZDLYCGSGA-KZULUSFZSA-N 0 1 343.383 2.655 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2n1CCN[C@H]2C ZINC001579577688 1090636726 /nfs/dbraw/zinc/63/67/26/1090636726.db2.gz ZBBORVKPCLIIPI-LBPRGKRZSA-N 0 1 328.372 2.930 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](N)Cc1ccc2cc[nH]c2c1 ZINC001579733760 1090673379 /nfs/dbraw/zinc/67/33/79/1090673379.db2.gz BLADHYVXTNQWIN-HNNXBMFYSA-N 0 1 338.367 2.893 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2n1CCN[C@@H]2C ZINC001579735121 1090674570 /nfs/dbraw/zinc/67/45/70/1090674570.db2.gz YECZZRLQXIBDQP-GFCCVEGCSA-N 0 1 328.372 2.930 20 5 EFBDMN Cc1ccccc1[C@H](N)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001579790306 1090688206 /nfs/dbraw/zinc/68/82/06/1090688206.db2.gz QSMNPEURBFAUQB-KRWDZBQOSA-N 0 1 327.384 2.604 20 5 EFBDMN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCNCC1 ZINC001580825809 1091022440 /nfs/dbraw/zinc/02/24/40/1091022440.db2.gz ZZCBBFZCVQDDSW-UHFFFAOYSA-N 0 1 343.408 2.791 20 5 EFBDMN CC(C)(NCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC001589321865 1093075530 /nfs/dbraw/zinc/07/55/30/1093075530.db2.gz UZZODJBAMPMMGT-UHFFFAOYSA-N 0 1 338.371 2.800 20 5 EFBDMN CCC(CC)[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])[NH+](C)C ZINC001590432721 1093419823 /nfs/dbraw/zinc/41/98/23/1093419823.db2.gz LPNYVJQELDUFNE-CQSZACIVSA-N 0 1 347.423 2.553 20 5 EFBDMN CCC(CC)[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])[NH+](C)C ZINC001590432721 1093419824 /nfs/dbraw/zinc/41/98/24/1093419824.db2.gz LPNYVJQELDUFNE-CQSZACIVSA-N 0 1 347.423 2.553 20 5 EFBDMN CC[NH+](CC)CCC[C@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590687411 1093551198 /nfs/dbraw/zinc/55/11/98/1093551198.db2.gz MWRJPKATKPELNA-LBPRGKRZSA-N 0 1 347.423 2.697 20 5 EFBDMN C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-c2nnn[n-]2)s1 ZINC001591121525 1093665316 /nfs/dbraw/zinc/66/53/16/1093665316.db2.gz SBJXKJDZHIHPPS-UHFFFAOYSA-N 0 1 344.400 2.511 20 5 EFBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-c2nnn[n-]2)s1 ZINC001591121525 1093665318 /nfs/dbraw/zinc/66/53/18/1093665318.db2.gz SBJXKJDZHIHPPS-UHFFFAOYSA-N 0 1 344.400 2.511 20 5 EFBDMN C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-c2nn[n-]n2)s1 ZINC001591121525 1093665320 /nfs/dbraw/zinc/66/53/20/1093665320.db2.gz SBJXKJDZHIHPPS-UHFFFAOYSA-N 0 1 344.400 2.511 20 5 EFBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-c2nn[n-]n2)s1 ZINC001591121525 1093665322 /nfs/dbraw/zinc/66/53/22/1093665322.db2.gz SBJXKJDZHIHPPS-UHFFFAOYSA-N 0 1 344.400 2.511 20 5 EFBDMN CN(Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001591145847 1093674594 /nfs/dbraw/zinc/67/45/94/1093674594.db2.gz TWNUKGIQFPSNGB-UHFFFAOYSA-N 0 1 342.334 2.546 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1Oc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001592197939 1094024816 /nfs/dbraw/zinc/02/48/16/1094024816.db2.gz OZMAQPDNUMZUHM-UHFFFAOYSA-N 0 1 338.736 2.986 20 5 EFBDMN Cc1ccccc1[C@@H](C)NCc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592259989 1094057030 /nfs/dbraw/zinc/05/70/30/1094057030.db2.gz YEDIAALNRJHWOT-GFCCVEGCSA-N 0 1 338.371 2.934 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CSc1ccc(-c2nn[nH]n2)cc1F ZINC001593480877 1094327303 /nfs/dbraw/zinc/32/73/03/1094327303.db2.gz AOUMYDSEAQQPJK-UHFFFAOYSA-N 0 1 347.331 2.912 20 5 EFBDMN Cc1[nH+]c2cc(Nc3ncc(C(=O)[O-])cc3[N+](=O)[O-])ccc2n1C ZINC001600726406 1095292558 /nfs/dbraw/zinc/29/25/58/1095292558.db2.gz JHZWOVOQBQJKJI-UHFFFAOYSA-N 0 1 327.300 2.627 20 5 EFBDMN Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001600755551 1095310365 /nfs/dbraw/zinc/31/03/65/1095310365.db2.gz WIJIWXZTOCYLTF-UHFFFAOYSA-N 0 1 338.751 2.954 20 5 EFBDMN Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001600807930 1095344450 /nfs/dbraw/zinc/34/44/50/1095344450.db2.gz FJPVRFJFDOCARI-SECBINFHSA-N 0 1 349.343 2.514 20 5 EFBDMN O=C([O-])C12CC(C1)C[N@@H+]2Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001601728038 1095868027 /nfs/dbraw/zinc/86/80/27/1095868027.db2.gz FGUFKLXEWDOQMV-UHFFFAOYSA-N 0 1 331.155 2.951 20 5 EFBDMN O=C([O-])C12CC(C1)C[N@H+]2Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001601728038 1095868049 /nfs/dbraw/zinc/86/80/49/1095868049.db2.gz FGUFKLXEWDOQMV-UHFFFAOYSA-N 0 1 331.155 2.951 20 5 EFBDMN O=C([O-])/C=C\c1ccc(N[C@H]2CCC[N@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC001601882307 1095955772 /nfs/dbraw/zinc/95/57/72/1095955772.db2.gz JDMWKRLIXKZWGS-AGLBCWCQSA-N 0 1 337.351 2.538 20 5 EFBDMN O=C([O-])/C=C\c1ccc(N[C@H]2CCC[N@@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC001601882307 1095955779 /nfs/dbraw/zinc/95/57/79/1095955779.db2.gz JDMWKRLIXKZWGS-AGLBCWCQSA-N 0 1 337.351 2.538 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC001602082377 1096050972 /nfs/dbraw/zinc/05/09/72/1096050972.db2.gz QZAXABXAMGWDRD-KBPBESRZSA-N 0 1 334.372 2.823 20 5 EFBDMN O=C([O-])Cc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC001602126437 1096079125 /nfs/dbraw/zinc/07/91/25/1096079125.db2.gz FDHPZWRSNXVBPU-DZGCQCFKSA-N 0 1 333.388 2.651 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC001602405516 1096225183 /nfs/dbraw/zinc/22/51/83/1096225183.db2.gz VSNMWGAXYIDXQM-AWEZNQCLSA-N 0 1 341.367 2.753 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C2CCCCCC2)n1 ZINC001602405080 1096225370 /nfs/dbraw/zinc/22/53/70/1096225370.db2.gz KMQNIGHYJAIVPS-ZDUSSCGKSA-N 0 1 348.403 2.897 20 5 EFBDMN C[C@@H](C1CC1)[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C1CC1 ZINC001604051289 1096710692 /nfs/dbraw/zinc/71/06/92/1096710692.db2.gz KXHJGRCKFCZENK-NSHDSACASA-N 0 1 334.372 2.821 20 5 EFBDMN C[C@H](C[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1)C(=O)[O-] ZINC001604165724 1096758470 /nfs/dbraw/zinc/75/84/70/1096758470.db2.gz MIUUMLUEFFFWFR-GFCCVEGCSA-N 0 1 344.371 2.601 20 5 EFBDMN C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001604473333 1096872528 /nfs/dbraw/zinc/87/25/28/1096872528.db2.gz FPHZDVJHMRSPDU-LBPRGKRZSA-N 0 1 345.355 2.646 20 5 EFBDMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001604473333 1096872534 /nfs/dbraw/zinc/87/25/34/1096872534.db2.gz FPHZDVJHMRSPDU-LBPRGKRZSA-N 0 1 345.355 2.646 20 5 EFBDMN CCc1[nH+]ccn1CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001605863451 1097257840 /nfs/dbraw/zinc/25/78/40/1097257840.db2.gz HJIKZDSQXWILSS-GQCTYLIASA-N 0 1 330.344 2.564 20 5 EFBDMN C[N@H+]1CCCC[C@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001606225955 1097355676 /nfs/dbraw/zinc/35/56/76/1097355676.db2.gz NIWWMKGXYCIURI-IQCBXXCUSA-N 0 1 333.388 2.836 20 5 EFBDMN COc1ccc(-c2ccc(C[N@H+](CC(=O)[O-])C3CC3)o2)c([N+](=O)[O-])c1 ZINC001607197391 1097557994 /nfs/dbraw/zinc/55/79/94/1097557994.db2.gz ZHKSQFVTFZUFOS-UHFFFAOYSA-N 0 1 346.339 2.912 20 5 EFBDMN COc1ccc(-c2ccc(C[N@@H+](CC(=O)[O-])C3CC3)o2)c([N+](=O)[O-])c1 ZINC001607197391 1097557999 /nfs/dbraw/zinc/55/79/99/1097557999.db2.gz ZHKSQFVTFZUFOS-UHFFFAOYSA-N 0 1 346.339 2.912 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC001607588989 1097667892 /nfs/dbraw/zinc/66/78/92/1097667892.db2.gz BOFRICHAOILJOK-LLVKDONJSA-N 0 1 336.392 2.529 20 5 EFBDMN O=C([O-])[C@@H](c1ccccc1F)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001608562923 1097956263 /nfs/dbraw/zinc/95/62/63/1097956263.db2.gz LFADTCVZJIIJLB-MRXNPFEDSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])[C@@H](c1ccccc1F)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001608562923 1097956268 /nfs/dbraw/zinc/95/62/68/1097956268.db2.gz LFADTCVZJIIJLB-MRXNPFEDSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])[C@H]1[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC001608817071 1098031475 /nfs/dbraw/zinc/03/14/75/1098031475.db2.gz XEIVJHHSHOPYBF-FOLVSLTJSA-N 0 1 328.324 2.617 20 5 EFBDMN O=C([O-])c1c(Cl)c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001608830494 1098035481 /nfs/dbraw/zinc/03/54/81/1098035481.db2.gz QGHIBPSBQUDZDE-UWVGGRQHSA-N 0 1 339.779 2.985 20 5 EFBDMN CN(C[C@@H]1CCC[N@@H+](C)C1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001610131067 1098555030 /nfs/dbraw/zinc/55/50/30/1098555030.db2.gz KANJXWZMUWRYAE-SNVBAGLBSA-N 0 1 341.795 2.724 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC001610478446 1098700135 /nfs/dbraw/zinc/70/01/35/1098700135.db2.gz LUQHLYRKHOWKMT-GFCCVEGCSA-N 0 1 349.387 2.559 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC001610478442 1098700493 /nfs/dbraw/zinc/70/04/93/1098700493.db2.gz LQRPTNAPTUWKSD-HNNXBMFYSA-N 0 1 349.387 2.561 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC001610787295 1098886914 /nfs/dbraw/zinc/88/69/14/1098886914.db2.gz ZUWLONPOZZYRTQ-AWEZNQCLSA-N 0 1 334.372 2.680 20 5 EFBDMN O=C(Nc1cc(F)c(Br)c(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840459535 1101082763 /nfs/dbraw/zinc/08/27/63/1101082763.db2.gz WBWSGTXNPLACMH-SVGQVSJJSA-N 0 1 337.532 2.845 20 5 EFBDMN CCCSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CCN(C)C2)n1 ZINC001167270017 1102209898 /nfs/dbraw/zinc/20/98/98/1102209898.db2.gz JAQPKJSHHMXRIG-QMMMGPOBSA-N 0 1 331.829 2.656 20 5 EFBDMN O=[N+]([O-])c1cccc([C@@H](O)CNCc2nc3c(s2)CCCC3)c1 ZINC000905568522 1103337181 /nfs/dbraw/zinc/33/71/81/1103337181.db2.gz TZPHKGYGKANGPB-AWEZNQCLSA-N 0 1 333.413 2.753 20 5 EFBDMN O=[N+]([O-])c1cccc([C@H](O)CNCc2nc3c(s2)CCCC3)c1 ZINC000905568524 1103337524 /nfs/dbraw/zinc/33/75/24/1103337524.db2.gz TZPHKGYGKANGPB-CQSZACIVSA-N 0 1 333.413 2.753 20 5 EFBDMN CO[C@@H]1CCOC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000897891592 1106134002 /nfs/dbraw/zinc/13/40/02/1106134002.db2.gz JWSMNCFBWJOBHY-RHSMWYFYSA-N 0 1 332.356 2.748 20 5 EFBDMN Cc1cccc(CONC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000898932345 1109141789 /nfs/dbraw/zinc/14/17/89/1109141789.db2.gz LELCLEQEWSOEPX-LLVKDONJSA-N 0 1 333.319 2.789 20 5 EFBDMN Cc1cccc(CONC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000898935272 1109143181 /nfs/dbraw/zinc/14/31/81/1109143181.db2.gz WHWUANRSUVDGRQ-UHFFFAOYSA-N 0 1 329.356 2.824 20 5 EFBDMN CC(C)(CCC(=O)NCc1ccc(Nc2ccncc2)cc1)[N+](=O)[O-] ZINC000899025029 1109175977 /nfs/dbraw/zinc/17/59/77/1109175977.db2.gz ZASYKTGUTGBEJX-UHFFFAOYSA-N 0 1 342.399 2.699 20 5 EFBDMN CC(C)[N@@H+]1CC[C@@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234878879 1111431477 /nfs/dbraw/zinc/43/14/77/1111431477.db2.gz ZLQDGJLLAGEDEQ-SNVBAGLBSA-N 0 1 345.193 2.924 20 5 EFBDMN CC(C)[N@H+]1CC[C@@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234878879 1111431481 /nfs/dbraw/zinc/43/14/81/1111431481.db2.gz ZLQDGJLLAGEDEQ-SNVBAGLBSA-N 0 1 345.193 2.924 20 5 EFBDMN CC[C@@H]1C[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CCO1 ZINC000183646022 529436820 /nfs/dbraw/zinc/43/68/20/529436820.db2.gz BGCTXOWRWUEJIA-DGCLKSJQSA-N 0 1 345.359 2.524 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000171369568 529465641 /nfs/dbraw/zinc/46/56/41/529465641.db2.gz QVWRXSLVRZKPGQ-ZDUSSCGKSA-N 0 1 328.372 2.728 20 5 EFBDMN Cc1ccc(OC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000174866726 231328879 /nfs/dbraw/zinc/32/88/79/231328879.db2.gz OZTZKXZSEWVAFD-UHFFFAOYSA-N 0 1 330.388 2.643 20 5 EFBDMN O=C(c1ccc(F)cc1)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174870857 231329445 /nfs/dbraw/zinc/32/94/45/231329445.db2.gz ATYTUMJLRKGMHB-CQSZACIVSA-N 0 1 346.362 2.525 20 5 EFBDMN CN(CCN1CCOCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130718141 529911670 /nfs/dbraw/zinc/91/16/70/529911670.db2.gz SVFRGMCNGIRGBI-UHFFFAOYSA-N 0 1 345.399 2.619 20 5 EFBDMN CN1C(=O)CCc2cc(CNCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000187136199 530043362 /nfs/dbraw/zinc/04/33/62/530043362.db2.gz XCVQTJJYJXRETJ-UHFFFAOYSA-N 0 1 325.368 2.794 20 5 EFBDMN O=C(NCCN1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004134248 210129859 /nfs/dbraw/zinc/12/98/59/210129859.db2.gz NCSSTRALCUMWTF-UHFFFAOYSA-N 0 1 340.383 2.775 20 5 EFBDMN Cc1ccc([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000178681172 232371727 /nfs/dbraw/zinc/37/17/27/232371727.db2.gz BFUATFYLHUJSOH-ZYHUDNBSSA-N 0 1 345.321 2.717 20 5 EFBDMN Cc1c(NC(=O)CCN2C[C@@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000068476174 215310431 /nfs/dbraw/zinc/31/04/31/215310431.db2.gz XWFYRAMFFJZVBW-GFCCVEGCSA-N 0 1 335.404 2.731 20 5 EFBDMN Cc1cc(C(=O)NC[C@H](c2cccs2)N(C)C)c(N)c([N+](=O)[O-])c1 ZINC000068510121 215314337 /nfs/dbraw/zinc/31/43/37/215314337.db2.gz TVKDUUYWJOACJI-CYBMUJFWSA-N 0 1 348.428 2.580 20 5 EFBDMN COC[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000181570590 234235502 /nfs/dbraw/zinc/23/55/02/234235502.db2.gz JWAJMPPZYYPVRQ-IINYFYTJSA-N 0 1 332.360 2.720 20 5 EFBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC[C@@H]2C2CCC2)cc1 ZINC000181734905 234303959 /nfs/dbraw/zinc/30/39/59/234303959.db2.gz IEJHZAHBZRSLRY-MRXNPFEDSA-N 0 1 338.429 2.633 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2n[nH]cc21 ZINC000040155183 213274156 /nfs/dbraw/zinc/27/41/56/213274156.db2.gz WVHNQFSWNKJHHS-UHFFFAOYSA-N 0 1 332.341 2.580 20 5 EFBDMN Cc1c([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000183391282 235044893 /nfs/dbraw/zinc/04/48/93/235044893.db2.gz QWZWPBHSMZWDLP-VXGBXAGGSA-N 0 1 345.403 2.623 20 5 EFBDMN COc1cc(CN(CCO)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184268161 235350603 /nfs/dbraw/zinc/35/06/03/235350603.db2.gz BLDADNUWXBMJTF-UHFFFAOYSA-N 0 1 326.368 2.870 20 5 EFBDMN CSCC[C@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072665951 216289994 /nfs/dbraw/zinc/28/99/94/216289994.db2.gz UWKZPKRYMLIQTI-LBPRGKRZSA-N 0 1 325.434 2.915 20 5 EFBDMN CN(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000025810779 212498849 /nfs/dbraw/zinc/49/88/49/212498849.db2.gz WTHARSZGOSMXQV-OAHLLOKOSA-N 0 1 333.413 2.618 20 5 EFBDMN C[C@@](NCCc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000177389114 239371784 /nfs/dbraw/zinc/37/17/84/239371784.db2.gz HOOJPKIDARWSGR-KRWDZBQOSA-N 0 1 347.802 2.781 20 5 EFBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000194650059 240167884 /nfs/dbraw/zinc/16/78/84/240167884.db2.gz HAVQESIVBBALJV-UHFFFAOYSA-N 0 1 328.296 2.815 20 5 EFBDMN COC(=O)[C@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000193502236 240191734 /nfs/dbraw/zinc/19/17/34/240191734.db2.gz XJWJCBSJJJYXDU-GXSJLCMTSA-N 0 1 344.314 2.628 20 5 EFBDMN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000095987428 284030002 /nfs/dbraw/zinc/03/00/02/284030002.db2.gz OQRICOBKHAGWIT-SNVBAGLBSA-N 0 1 336.735 2.615 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412056434 243103334 /nfs/dbraw/zinc/10/33/34/243103334.db2.gz OJRPDDAYWZVRQK-OAHLLOKOSA-N 0 1 347.415 2.580 20 5 EFBDMN O=C(N[C@H]1CCCc2cn[nH]c21)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412197436 243197236 /nfs/dbraw/zinc/19/72/36/243197236.db2.gz SNUBZTFUJNCQEV-ZNMIVQPWSA-N 0 1 326.356 2.615 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n[nH]1 ZINC000412232736 243220581 /nfs/dbraw/zinc/22/05/81/243220581.db2.gz OBEFEWQWSKFRPK-JTQLQIEISA-N 0 1 347.375 2.554 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCSC3(CCC3)CC2)c1[N+](=O)[O-] ZINC000412454725 243324757 /nfs/dbraw/zinc/32/47/57/243324757.db2.gz RHPGDRTURRQJRX-UHFFFAOYSA-N 0 1 338.433 2.772 20 5 EFBDMN COC(=O)c1cnc([C@H](C)NCCc2ccccc2[N+](=O)[O-])s1 ZINC000414121487 244014709 /nfs/dbraw/zinc/01/47/09/244014709.db2.gz ZQCOGQGUWVBJGZ-JTQLQIEISA-N 0 1 335.385 2.731 20 5 EFBDMN CCc1ccc([C@@H](NC[C@@H]2CNC(=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414199964 244043399 /nfs/dbraw/zinc/04/33/99/244043399.db2.gz LEURIDJHSNFGDV-SGTLLEGYSA-N 0 1 343.383 2.565 20 5 EFBDMN COCC[C@H](C)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000414209114 244047908 /nfs/dbraw/zinc/04/79/08/244047908.db2.gz SHYOJRBARZHQKQ-BBRMVZONSA-N 0 1 332.404 2.680 20 5 EFBDMN CCOC(=O)c1cc(-c2nc(C3(N)CCCC3)no2)cc([N+](=O)[O-])c1 ZINC000414623707 244258213 /nfs/dbraw/zinc/25/82/13/244258213.db2.gz UPFACZCAVZCCJP-UHFFFAOYSA-N 0 1 346.343 2.550 20 5 EFBDMN NC1(c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCCC1 ZINC000414612879 244254993 /nfs/dbraw/zinc/25/49/93/244254993.db2.gz FICMFIUQNVHTST-UHFFFAOYSA-N 0 1 327.344 2.778 20 5 EFBDMN CC(C)C[C@@H](N)c1noc(-c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC000414616569 244256796 /nfs/dbraw/zinc/25/67/96/244256796.db2.gz IGHVIXGAFGHVNK-GFCCVEGCSA-N 0 1 342.359 2.876 20 5 EFBDMN C[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000358351809 296162696 /nfs/dbraw/zinc/16/26/96/296162696.db2.gz LHTAKXAPKYAPNN-PWSUYJOCSA-N 0 1 345.321 2.799 20 5 EFBDMN C[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000080611194 217318441 /nfs/dbraw/zinc/31/84/41/217318441.db2.gz DLWVRWOVZIIWHL-LLVKDONJSA-N 0 1 346.353 2.661 20 5 EFBDMN CC[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](CC)O1 ZINC000421963311 246188894 /nfs/dbraw/zinc/18/88/94/246188894.db2.gz WQSFPLXSUPOSBD-RYUDHWBXSA-N 0 1 332.360 2.501 20 5 EFBDMN CCOc1cc(CNCc2ccc(OC)c([N+](=O)[O-])c2)ccc1O ZINC000264349344 246387366 /nfs/dbraw/zinc/38/73/66/246387366.db2.gz PKDWGADSOCXMRL-UHFFFAOYSA-N 0 1 332.356 2.998 20 5 EFBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261768048 296227674 /nfs/dbraw/zinc/22/76/74/296227674.db2.gz MDMBEZQGFCDFIQ-LBPRGKRZSA-N 0 1 335.747 2.628 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CC[C@@H](c3nc[nH]n3)C2)cc1C(F)(F)F ZINC000425284155 247027793 /nfs/dbraw/zinc/02/77/93/247027793.db2.gz MVDCWSIMUHQLAW-MRVPVSSYSA-N 0 1 327.266 2.726 20 5 EFBDMN CCCN(CCc1cccc(F)c1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264950771 247078366 /nfs/dbraw/zinc/07/83/66/247078366.db2.gz JWLWTSSDLMBHPH-UHFFFAOYSA-N 0 1 334.351 2.860 20 5 EFBDMN CCc1nc(C)c(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000426326606 247262820 /nfs/dbraw/zinc/26/28/20/247262820.db2.gz YPAOIRHPGUIPMD-NSHDSACASA-N 0 1 346.387 2.961 20 5 EFBDMN Cc1nc2ccc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])cc2[nH]1 ZINC000433694763 248081203 /nfs/dbraw/zinc/08/12/03/248081203.db2.gz PRQFPZHMYQRBJY-UHFFFAOYSA-N 0 1 328.332 2.878 20 5 EFBDMN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])s1 ZINC000266044452 248058961 /nfs/dbraw/zinc/05/89/61/248058961.db2.gz DFQOKHLWVKLZIC-SECBINFHSA-N 0 1 337.405 2.787 20 5 EFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC2(CCOCC2)C1 ZINC000266051958 248063071 /nfs/dbraw/zinc/06/30/71/248063071.db2.gz ZCEIOXMVASHTTI-CQSZACIVSA-N 0 1 347.415 2.814 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000266112389 248104950 /nfs/dbraw/zinc/10/49/50/248104950.db2.gz HRLVGKOPXILNNG-ZANVPECISA-N 0 1 332.335 2.989 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000266112388 248105243 /nfs/dbraw/zinc/10/52/43/248105243.db2.gz HRLVGKOPXILNNG-TVQRCGJNSA-N 0 1 332.335 2.989 20 5 EFBDMN C[C@@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011470238 211218522 /nfs/dbraw/zinc/21/85/22/211218522.db2.gz JQFPKAIRQLLATJ-MRVPVSSYSA-N 0 1 333.373 2.710 20 5 EFBDMN C[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011470238 211218529 /nfs/dbraw/zinc/21/85/29/211218529.db2.gz JQFPKAIRQLLATJ-MRVPVSSYSA-N 0 1 333.373 2.710 20 5 EFBDMN CC(C)CN(CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092011465 218104602 /nfs/dbraw/zinc/10/46/02/218104602.db2.gz PGOCIPYJLSNFIK-UHFFFAOYSA-N 0 1 331.372 2.798 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1cccc(N2CCC2=O)c1 ZINC000441215908 250008767 /nfs/dbraw/zinc/00/87/67/250008767.db2.gz GOFPIMGDGHTTFJ-UHFFFAOYSA-N 0 1 325.368 2.930 20 5 EFBDMN Cc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1[N+](=O)[O-] ZINC000093134029 218196687 /nfs/dbraw/zinc/19/66/87/218196687.db2.gz ZFNGHXCYIHJSJH-HNNXBMFYSA-N 0 1 341.415 2.821 20 5 EFBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000009834730 211126835 /nfs/dbraw/zinc/12/68/35/211126835.db2.gz HHOAXKFNRSHYNB-MRXNPFEDSA-N 0 1 343.383 2.684 20 5 EFBDMN COc1cc(CN2CCC[C@@H]2CSC)c([N+](=O)[O-])cc1OC ZINC000093761085 218247400 /nfs/dbraw/zinc/24/74/00/218247400.db2.gz OCSZUNUIMBVBRN-GFCCVEGCSA-N 0 1 326.418 2.939 20 5 EFBDMN C[C@H](NCc1ccc(N2CCOCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000267426920 251048204 /nfs/dbraw/zinc/04/82/04/251048204.db2.gz LOXQVIORKNKYOS-AWEZNQCLSA-N 0 1 342.399 2.677 20 5 EFBDMN CCn1nnc(C)c1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449495727 251043149 /nfs/dbraw/zinc/04/31/49/251043149.db2.gz DVKIPTKJTUVHGU-HNNXBMFYSA-N 0 1 329.404 2.894 20 5 EFBDMN CCOCCCNC(=O)[C@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000267424115 251044673 /nfs/dbraw/zinc/04/46/73/251044673.db2.gz LCTQRDOTDFIJFC-XJKSGUPXSA-N 0 1 337.420 2.567 20 5 EFBDMN COc1nccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449502673 251044921 /nfs/dbraw/zinc/04/49/21/251044921.db2.gz RULDEINWBDMZGS-CQSZACIVSA-N 0 1 328.372 2.773 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c2c(c1)COCO2 ZINC000267443714 251062528 /nfs/dbraw/zinc/06/25/28/251062528.db2.gz PSBXIEYXNPXRLE-GFCCVEGCSA-N 0 1 344.371 2.564 20 5 EFBDMN COCCn1nc(C)c(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000267531416 251132312 /nfs/dbraw/zinc/13/23/12/251132312.db2.gz SKNHTNUVAPDINR-UHFFFAOYSA-N 0 1 335.320 2.706 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000449746046 251139588 /nfs/dbraw/zinc/13/95/88/251139588.db2.gz QAKHIRQBOFENRW-HFQYIWAZSA-N 0 1 346.431 2.734 20 5 EFBDMN COc1cccnc1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449750683 251140604 /nfs/dbraw/zinc/14/06/04/251140604.db2.gz VSGXREQQKYPGPT-GFCCVEGCSA-N 0 1 344.371 2.505 20 5 EFBDMN O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000449846542 251175013 /nfs/dbraw/zinc/17/50/13/251175013.db2.gz YZALMRZOJZEXJQ-OUJBWJOFSA-N 0 1 327.344 2.755 20 5 EFBDMN CO[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)C1 ZINC000449846205 251175905 /nfs/dbraw/zinc/17/59/05/251175905.db2.gz WOUPSCQEIOQAGI-DGCLKSJQSA-N 0 1 345.359 2.524 20 5 EFBDMN C[C@H]1N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCOC1(C)C ZINC000450189477 251293432 /nfs/dbraw/zinc/29/34/32/251293432.db2.gz XFKBUSCHVPCICK-LLVKDONJSA-N 0 1 344.371 2.624 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1C[C@H]2CCC[C@@H]2C1 ZINC000450150474 251277958 /nfs/dbraw/zinc/27/79/58/251277958.db2.gz YWPDQLZRQFGTNZ-CHWSQXEVSA-N 0 1 326.356 2.857 20 5 EFBDMN CCCCO[C@H]1C[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C ZINC000267779390 251339952 /nfs/dbraw/zinc/33/99/52/251339952.db2.gz MDGUBXNTKCBCIL-RYUDHWBXSA-N 0 1 338.408 2.682 20 5 EFBDMN Cc1ncccc1NC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453444162 252039452 /nfs/dbraw/zinc/03/94/52/252039452.db2.gz OCDFLCUYXNWUCI-AAEUAGOBSA-N 0 1 328.372 2.976 20 5 EFBDMN C[C@H](NC(=O)NCc1n[nH]c(C(C)(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000458889428 255789758 /nfs/dbraw/zinc/78/97/58/255789758.db2.gz OHOGDXBQCQRECS-JTQLQIEISA-N 0 1 346.391 2.571 20 5 EFBDMN CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000112701008 220377917 /nfs/dbraw/zinc/37/79/17/220377917.db2.gz MFAISIRXHCHUPV-CQSZACIVSA-N 0 1 333.432 2.969 20 5 EFBDMN COc1cccc(C2(CNC(=O)c3n[nH]cc3[N+](=O)[O-])CCCC2)c1 ZINC000154094675 224201871 /nfs/dbraw/zinc/20/18/71/224201871.db2.gz NWZXFPXRYRSDLU-UHFFFAOYSA-N 0 1 344.371 2.568 20 5 EFBDMN COCCN(Cc1ccc(C)o1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154453152 224254654 /nfs/dbraw/zinc/25/46/54/224254654.db2.gz OSYXLUVIVPUHNP-KRWDZBQOSA-N 0 1 334.372 2.678 20 5 EFBDMN COCCN(Cc1ccc(C)o1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154453271 224255073 /nfs/dbraw/zinc/25/50/73/224255073.db2.gz OSYXLUVIVPUHNP-QGZVFWFLSA-N 0 1 334.372 2.678 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000159010890 533218941 /nfs/dbraw/zinc/21/89/41/533218941.db2.gz WBTQXHSKUHDIMG-BBRMVZONSA-N 0 1 330.388 2.883 20 5 EFBDMN Cc1nn(C)c(NC2CCN([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000119271178 221282303 /nfs/dbraw/zinc/28/23/03/221282303.db2.gz SEQOEVXKERBOPP-ZDUSSCGKSA-N 0 1 344.419 2.669 20 5 EFBDMN C[C@@H](NCC(=O)N(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178647854 533343725 /nfs/dbraw/zinc/34/37/25/533343725.db2.gz CUPZOMJRBVCDPT-CQSZACIVSA-N 0 1 327.384 2.904 20 5 EFBDMN C[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000320021501 141492044 /nfs/dbraw/zinc/49/20/44/141492044.db2.gz HELSMUAOVJDMIW-GHMZBOCLSA-N 0 1 330.381 2.981 20 5 EFBDMN C[C@](O)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000344445713 142018286 /nfs/dbraw/zinc/01/82/86/142018286.db2.gz JVBLADBXCSIUDQ-INIZCTEOSA-N 0 1 333.413 2.969 20 5 EFBDMN COc1c(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)c(C)nn1C ZINC000344870246 142090472 /nfs/dbraw/zinc/09/04/72/142090472.db2.gz SJUYHIALCBSQTI-XYOKQWHBSA-N 0 1 330.388 2.838 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000344961817 142103953 /nfs/dbraw/zinc/10/39/53/142103953.db2.gz HKGHNYMJMOMWJP-LSDHHAIUSA-N 0 1 349.431 2.613 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345907688 142116322 /nfs/dbraw/zinc/11/63/22/142116322.db2.gz OENCTROGRZMJEF-QWHCGFSZSA-N 0 1 337.445 2.628 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000346403650 142200237 /nfs/dbraw/zinc/20/02/37/142200237.db2.gz BJAIJHMNAGHAEW-RYUDHWBXSA-N 0 1 336.392 2.550 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000347522678 142230422 /nfs/dbraw/zinc/23/04/22/142230422.db2.gz OJNVKVGJRYRKFR-UHFFFAOYSA-N 0 1 346.387 2.896 20 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/nfs/dbraw/zinc/11/73/47/145117347.db2.gz ZRETUQPDGNMZDG-IBGZPJMESA-N 0 1 341.411 2.962 20 5 EFBDMN CSc1cccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000342642649 145164731 /nfs/dbraw/zinc/16/47/31/145164731.db2.gz ADPRFIJHOCRRLK-UHFFFAOYSA-N 0 1 339.398 2.654 20 5 EFBDMN Cc1nn(C(C)C)cc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343547441 145234530 /nfs/dbraw/zinc/23/45/30/145234530.db2.gz JFRUAUZGBAPSFQ-OAHLLOKOSA-N 0 1 344.419 2.762 20 5 EFBDMN Cc1cc(N2CCN(C)[C@@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000343695057 145273012 /nfs/dbraw/zinc/27/30/12/145273012.db2.gz BMGKZXISNMVZQG-INIZCTEOSA-N 0 1 326.400 2.661 20 5 EFBDMN CC[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000343886553 145317249 /nfs/dbraw/zinc/31/72/49/145317249.db2.gz RADHZJJMDWVDCW-AWEZNQCLSA-N 0 1 331.416 2.996 20 5 EFBDMN O=C(NCc1ccc(F)cc1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000351488573 146129878 /nfs/dbraw/zinc/12/98/78/146129878.db2.gz WICFPCGMMMUEFF-UHFFFAOYSA-N 0 1 332.266 2.679 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC000351488374 146130186 /nfs/dbraw/zinc/13/01/86/146130186.db2.gz DWUIUOCVUPYRKS-UHFFFAOYSA-N 0 1 346.368 2.889 20 5 EFBDMN COc1cc(CNc2nc3c(cccc3Cl)[nH]2)cc([N+](=O)[O-])c1O ZINC000351564555 146147299 /nfs/dbraw/zinc/14/72/99/146147299.db2.gz FSOJSZSPZCVJMG-UHFFFAOYSA-N 0 1 348.746 2.873 20 5 EFBDMN COc1cc(CN(CCO)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000351638718 146165358 /nfs/dbraw/zinc/16/53/58/146165358.db2.gz YMVQJPPNVUFRIC-AAEUAGOBSA-N 0 1 326.368 2.725 20 5 EFBDMN COc1cc(CN(CCO)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000351638719 146165372 /nfs/dbraw/zinc/16/53/72/146165372.db2.gz YMVQJPPNVUFRIC-DGCLKSJQSA-N 0 1 326.368 2.725 20 5 EFBDMN O=C(N[C@@H](CCCO)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000351949750 146245119 /nfs/dbraw/zinc/24/51/19/146245119.db2.gz RRONMADLLKODOA-INIZCTEOSA-N 0 1 330.340 2.544 20 5 EFBDMN COCc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000352108837 146291190 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O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H]2c2ccccc2)c1 ZINC000353047841 146384947 /nfs/dbraw/zinc/38/49/47/146384947.db2.gz FPYSRCUHLBBKJG-FUHWJXTLSA-N 0 1 328.368 2.782 20 5 EFBDMN Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(C)n1C ZINC000353103150 146397082 /nfs/dbraw/zinc/39/70/82/146397082.db2.gz WLSLLCBBQSUGEC-UHFFFAOYSA-N 0 1 340.343 2.588 20 5 EFBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CC12CCCC2 ZINC000355472918 146971038 /nfs/dbraw/zinc/97/10/38/146971038.db2.gz LVCGFABPNQZRIR-LBPRGKRZSA-N 0 1 327.344 2.899 20 5 EFBDMN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000355599217 147008667 /nfs/dbraw/zinc/00/86/67/147008667.db2.gz BXDFYNXPYZSBAV-UHFFFAOYSA-N 0 1 342.359 2.754 20 5 EFBDMN C[C@@H](COc1cccc(F)c1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355632108 147018088 /nfs/dbraw/zinc/01/80/88/147018088.db2.gz GJRXSPAEMJGLHQ-JTQLQIEISA-N 0 1 334.303 2.637 20 5 EFBDMN COCCOc1cc(C)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355666877 147029245 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O=C(Nc1ccc(N2CCCCC2)cn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356347269 147219767 /nfs/dbraw/zinc/21/97/67/147219767.db2.gz SEUAEMJKJQAHHB-UHFFFAOYSA-N 0 1 342.355 2.938 20 5 EFBDMN Cc1ccc(-c2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000356362814 147224475 /nfs/dbraw/zinc/22/44/75/147224475.db2.gz NRKAAOUOUFXQKC-UHFFFAOYSA-N 0 1 339.311 2.646 20 5 EFBDMN Cc1cccc(OC[C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356415405 147238634 /nfs/dbraw/zinc/23/86/34/147238634.db2.gz QYWXVXVPDRJFAJ-GFCCVEGCSA-N 0 1 330.340 2.806 20 5 EFBDMN Cc1nc(-c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)n[nH]1 ZINC000356508975 147263888 /nfs/dbraw/zinc/26/38/88/147263888.db2.gz GECZAXZETPTGNH-UHFFFAOYSA-N 0 1 339.311 2.646 20 5 EFBDMN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356576496 147281307 /nfs/dbraw/zinc/28/13/07/147281307.db2.gz LPUONVDTPMFAPF-SMDDNHRTSA-N 0 1 334.278 2.865 20 5 EFBDMN Cc1ccccc1O[C@@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356634070 147296365 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EFBDMN Cc1cc(Cc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)[nH]n1 ZINC000357369905 147506164 /nfs/dbraw/zinc/50/61/64/147506164.db2.gz LFQJXZRXSIGWIN-UHFFFAOYSA-N 0 1 338.327 2.672 20 5 EFBDMN C[C@](NS(=O)(=O)c1ccccc1[N+](=O)[O-])(C1CC1)C(F)(F)F ZINC000358814128 147907870 /nfs/dbraw/zinc/90/78/70/147907870.db2.gz OMEMSWNZWSXRFZ-NSHDSACASA-N 0 1 338.307 2.604 20 5 EFBDMN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(F)cc2nc[nH]c21 ZINC000359530104 148111964 /nfs/dbraw/zinc/11/19/64/148111964.db2.gz PXIUKFODOMSVRM-UHFFFAOYSA-N 0 1 328.303 2.583 20 5 EFBDMN O=C(c1cccc2[nH]cnc21)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359627730 148144293 /nfs/dbraw/zinc/14/42/93/148144293.db2.gz ACPQBPFESVLIDI-UHFFFAOYSA-N 0 1 338.323 2.506 20 5 EFBDMN Cc1cc(NC[C@H]2CN(CC(C)C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000359836842 148203300 /nfs/dbraw/zinc/20/33/00/148203300.db2.gz HODWQYMTPKWNAM-ZDUSSCGKSA-N 0 1 325.384 2.811 20 5 EFBDMN Cc1cc(NC[C@@H]2CN(CC(C)C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000359836841 148203435 /nfs/dbraw/zinc/20/34/35/148203435.db2.gz HODWQYMTPKWNAM-CYBMUJFWSA-N 0 1 325.384 2.811 20 5 EFBDMN Cc1cc(NCCN2CCN(C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359838851 148203869 /nfs/dbraw/zinc/20/38/69/148203869.db2.gz KTQNZNFLCLJKEV-UHFFFAOYSA-N 0 1 346.353 2.581 20 5 EFBDMN Cc1ccc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)c([N+](=O)[O-])c1 ZINC000360030890 148254440 /nfs/dbraw/zinc/25/44/40/148254440.db2.gz JKGYOMCIEOKPDN-UHFFFAOYSA-N 0 1 347.396 2.978 20 5 EFBDMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360315963 148328983 /nfs/dbraw/zinc/32/89/83/148328983.db2.gz FOMPTVLLWGPBSB-VXJOIVPMSA-N 0 1 332.287 2.692 20 5 EFBDMN Cc1cc2[nH]ncc2cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000360433741 148359759 /nfs/dbraw/zinc/35/97/59/148359759.db2.gz NTXYVIHVIAVXGD-UHFFFAOYSA-N 0 1 326.312 2.797 20 5 EFBDMN Cc1c(CNC(=O)c2sccc2CN(C)C)cccc1[N+](=O)[O-] ZINC000360528820 148384568 /nfs/dbraw/zinc/38/45/68/148384568.db2.gz NLXWRHLRFFRDBU-UHFFFAOYSA-N 0 1 333.413 2.956 20 5 EFBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CCOCC2)[C@H]1C ZINC000363793142 149013261 /nfs/dbraw/zinc/01/32/61/149013261.db2.gz HFTCZICICXXJHJ-ZIAGYGMSSA-N 0 1 347.415 2.813 20 5 EFBDMN COC[C@H]1CCCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000364269748 149111175 /nfs/dbraw/zinc/11/11/75/149111175.db2.gz HDDWOTMYQAEJKR-ZDUSSCGKSA-N 0 1 346.387 2.893 20 5 EFBDMN CCOc1cc(CN[C@]2(CO)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000365189060 149339814 /nfs/dbraw/zinc/33/98/14/149339814.db2.gz JASYQHLDSSKJHF-IBGZPJMESA-N 0 1 342.395 2.917 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000373774164 151224505 /nfs/dbraw/zinc/22/45/05/151224505.db2.gz GDYGEOAPAALJNY-UHFFFAOYSA-N 0 1 339.311 2.641 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(OCC2CC2)CC1 ZINC000374108482 151284911 /nfs/dbraw/zinc/28/49/11/151284911.db2.gz QJKYCFQITXKPIK-UHFFFAOYSA-N 0 1 344.371 2.502 20 5 EFBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1nnc[nH]1 ZINC000374268355 151311449 /nfs/dbraw/zinc/31/14/49/151311449.db2.gz DMFMPPRZKFDCOJ-UHFFFAOYSA-N 0 1 337.339 2.951 20 5 EFBDMN Cc1c(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374305931 151318880 /nfs/dbraw/zinc/31/88/80/151318880.db2.gz BCQFQCZIDYWSLB-IAGOWNOFSA-N 0 1 339.395 2.731 20 5 EFBDMN CO[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000374703877 151399506 /nfs/dbraw/zinc/39/95/06/151399506.db2.gz WJRGFPQOTSDWLQ-KBPBESRZSA-N 0 1 335.404 2.731 20 5 EFBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000378529479 152110712 /nfs/dbraw/zinc/11/07/12/152110712.db2.gz NEOCQHRPGQFVLM-VGMNTSGFSA-N 0 1 349.350 2.632 20 5 EFBDMN COc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1 ZINC000352757907 286362421 /nfs/dbraw/zinc/36/24/21/286362421.db2.gz LQTHMAMONNVFIH-ZDUSSCGKSA-N 0 1 330.344 2.612 20 5 EFBDMN C[C@@H](NCc1cccnc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173314055 287041594 /nfs/dbraw/zinc/04/15/94/287041594.db2.gz UQKAJEPAQQRHBW-CQSZACIVSA-N 0 1 342.399 2.677 20 5 EFBDMN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nnc[nH]1 ZINC000160124096 225342857 /nfs/dbraw/zinc/34/28/57/225342857.db2.gz PPZRVRGSEAQMQE-LURJTMIESA-N 0 1 344.253 2.614 20 5 EFBDMN Cc1[nH]ncc1CCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000121870431 221957271 /nfs/dbraw/zinc/95/72/71/221957271.db2.gz VXEAHGMGYUGJCU-GFCCVEGCSA-N 0 1 348.428 2.856 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CCO)c1ccco1 ZINC000185082058 265033245 /nfs/dbraw/zinc/03/32/45/265033245.db2.gz SJPWEJYWCXAAPD-OAHLLOKOSA-N 0 1 347.371 2.538 20 5 EFBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000191902328 265281086 /nfs/dbraw/zinc/28/10/86/265281086.db2.gz HTQWKLKHFWFAHF-UHFFFAOYSA-N 0 1 325.321 2.547 20 5 EFBDMN CCCO[C@@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269462348 265517615 /nfs/dbraw/zinc/51/76/15/265517615.db2.gz SLDZGCSNMVUWJH-GFCCVEGCSA-N 0 1 338.408 2.863 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000270750304 265796503 /nfs/dbraw/zinc/79/65/03/265796503.db2.gz YBSNZGNNWIIRDY-ZETCQYMHSA-N 0 1 338.755 2.811 20 5 EFBDMN COc1cccc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000271614706 266022096 /nfs/dbraw/zinc/02/20/96/266022096.db2.gz CBBJXGYOWDJNMZ-ZDUSSCGKSA-N 0 1 343.383 2.917 20 5 EFBDMN Cc1cc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000272090783 266148361 /nfs/dbraw/zinc/14/83/61/266148361.db2.gz LBCIRLKWVVDAQJ-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN Cc1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)n[nH]1 ZINC000272106951 266154424 /nfs/dbraw/zinc/15/44/24/266154424.db2.gz NWNKBBSDIROKHL-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)c1 ZINC000272303695 266222124 /nfs/dbraw/zinc/22/21/24/266222124.db2.gz XCAJUCQSUIGLDK-UHFFFAOYSA-N 0 1 344.371 2.655 20 5 EFBDMN C[C@@H]1C[C@@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272507663 266288313 /nfs/dbraw/zinc/28/83/13/266288313.db2.gz IHUCSHRSTIEBQL-JKIFEVAISA-N 0 1 344.415 2.822 20 5 EFBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCC[C@@H]1O ZINC000272508130 266288687 /nfs/dbraw/zinc/28/86/87/266288687.db2.gz JSYVAXXLBAPHJB-HIFRSBDPSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@H](O)[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000272570660 266311391 /nfs/dbraw/zinc/31/13/91/266311391.db2.gz VRYJFKLMCOLYFI-WCQYABFASA-N 0 1 333.413 2.921 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N(C)C[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000272595881 266319115 /nfs/dbraw/zinc/31/91/15/266319115.db2.gz UMHBKFLPQSCGJX-ZQIUZPCESA-N 0 1 349.431 2.713 20 5 EFBDMN C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272691437 266353853 /nfs/dbraw/zinc/35/38/53/266353853.db2.gz QLYQDQNQCYDMRY-ZANVPECISA-N 0 1 336.369 2.604 20 5 EFBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000272705242 266356092 /nfs/dbraw/zinc/35/60/92/266356092.db2.gz VTHDOVKHKSZIJM-MEBBXXQBSA-N 0 1 348.380 2.964 20 5 EFBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](c2ccccc2)CO1 ZINC000272718102 266361965 /nfs/dbraw/zinc/36/19/65/266361965.db2.gz ZFUZTUDGSYBMLF-SJCJKPOMSA-N 0 1 342.351 2.903 20 5 EFBDMN Cc1cc(N2CCC[C@H](CC(N)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272827252 266393150 /nfs/dbraw/zinc/39/31/50/266393150.db2.gz KHZJUPOTAAJDOW-GFCCVEGCSA-N 0 1 328.372 2.543 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1C1CCC1 ZINC000102926976 273000406 /nfs/dbraw/zinc/00/04/06/273000406.db2.gz ILFDIHGZIYGOLE-HNNXBMFYSA-N 0 1 333.388 2.806 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1C1CCC1 ZINC000102926971 273000457 /nfs/dbraw/zinc/00/04/57/273000457.db2.gz ILFDIHGZIYGOLE-OAHLLOKOSA-N 0 1 333.388 2.806 20 5 EFBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)c1[nH]nc2c1CCCCC2 ZINC000276414884 266983991 /nfs/dbraw/zinc/98/39/91/266983991.db2.gz FLJMLOJCKGPJMD-UHFFFAOYSA-N 0 1 328.372 2.559 20 5 EFBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1ncnn1C ZINC000276642132 267028241 /nfs/dbraw/zinc/02/82/41/267028241.db2.gz OZOPKKZYBBAWKU-VXGBXAGGSA-N 0 1 335.433 2.945 20 5 EFBDMN O=C(NC[C@H]1CCC2(CCCCC2)O1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276660978 267030867 /nfs/dbraw/zinc/03/08/67/267030867.db2.gz BZBDYNRONYAVQG-OAHLLOKOSA-N 0 1 334.372 2.912 20 5 EFBDMN Cc1cc(N2CC[C@@H](N3CCCC3=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000276715727 267040287 /nfs/dbraw/zinc/04/02/87/267040287.db2.gz JVUJXRULFLUKCE-CQSZACIVSA-N 0 1 340.383 2.653 20 5 EFBDMN CCOCCO[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276872551 267065451 /nfs/dbraw/zinc/06/54/51/267065451.db2.gz HSEGUKPVSQQHKW-HNNXBMFYSA-N 0 1 338.404 2.621 20 5 EFBDMN COc1cc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc([N+](=O)[O-])c1C ZINC000276888647 267069177 /nfs/dbraw/zinc/06/91/77/267069177.db2.gz TYVPDXGPBWSKAT-JTQLQIEISA-N 0 1 347.375 2.644 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000277141629 267119900 /nfs/dbraw/zinc/11/99/00/267119900.db2.gz VIFAFEIYGXXCHP-GHMZBOCLSA-N 0 1 346.391 2.516 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000277860675 267282722 /nfs/dbraw/zinc/28/27/22/267282722.db2.gz OBZWGMVPRBPFHC-DTWKUNHWSA-N 0 1 335.339 2.857 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC000277979608 267312890 /nfs/dbraw/zinc/31/28/90/267312890.db2.gz VOFICFMCHLOCTI-VHSXEESVSA-N 0 1 347.375 2.726 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c1[N+](=O)[O-] ZINC000278032080 267324639 /nfs/dbraw/zinc/32/46/39/267324639.db2.gz UXDGFXGSSPDJEM-QMMMGPOBSA-N 0 1 334.298 2.683 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC(c3ncc(C)s3)CC2)c1[N+](=O)[O-] ZINC000278172961 267359093 /nfs/dbraw/zinc/35/90/93/267359093.db2.gz PEHLAINQTFJRHO-UHFFFAOYSA-N 0 1 349.416 2.665 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCN(C)c3ccccc3C2)c1[N+](=O)[O-] ZINC000269475348 273080713 /nfs/dbraw/zinc/08/07/13/273080713.db2.gz VHCLHUCSDOFDDK-UHFFFAOYSA-N 0 1 343.387 2.534 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cccc(N(C)C)c2)c1[N+](=O)[O-] ZINC000269506640 273082174 /nfs/dbraw/zinc/08/21/74/273082174.db2.gz CBVPSUMHTXNUIV-UHFFFAOYSA-N 0 1 345.403 2.780 20 5 EFBDMN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1OCCc2ccccc21 ZINC000269666442 273087795 /nfs/dbraw/zinc/08/77/95/273087795.db2.gz SIMSJDPOELJBIC-OALUTQOASA-N 0 1 342.395 2.874 20 5 EFBDMN Cc1cc(C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000272166901 273113543 /nfs/dbraw/zinc/11/35/43/273113543.db2.gz YAKVUIFINDJKKQ-UHFFFAOYSA-N 0 1 342.399 2.965 20 5 EFBDMN Cc1nn(CCC(=O)Nc2cc3cn[nH]c3cc2C)c(C)c1[N+](=O)[O-] ZINC000276625109 273138989 /nfs/dbraw/zinc/13/89/89/273138989.db2.gz ARFKYTLFHSLNCT-UHFFFAOYSA-N 0 1 342.359 2.622 20 5 EFBDMN CN(C(=O)CN1CCSC(C)(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000279647253 273237776 /nfs/dbraw/zinc/23/77/76/273237776.db2.gz AXHSUVSZGZPWCB-UHFFFAOYSA-N 0 1 337.445 2.775 20 5 EFBDMN C[C@@H](O)C[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279978913 273277080 /nfs/dbraw/zinc/27/70/80/273277080.db2.gz ZIYFZLGOSZRVDQ-DOMZBBRYSA-N 0 1 346.387 2.770 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@](C)(O)CC1 ZINC000280117731 273292691 /nfs/dbraw/zinc/29/26/91/273292691.db2.gz PXEBUOVLSJWTFH-SJCJKPOMSA-N 0 1 346.387 2.943 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@](C)(O)CC1 ZINC000280117727 273292749 /nfs/dbraw/zinc/29/27/49/273292749.db2.gz PXEBUOVLSJWTFH-PXAZEXFGSA-N 0 1 346.387 2.943 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@](C)(O)CC1 ZINC000280119838 273292934 /nfs/dbraw/zinc/29/29/34/273292934.db2.gz PXEBUOVLSJWTFH-SJKOYZFVSA-N 0 1 346.387 2.943 20 5 EFBDMN CCC(=O)c1ccc(N2CCC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000280657659 273351955 /nfs/dbraw/zinc/35/19/55/273351955.db2.gz GHUONKVDNYWLPK-ZDUSSCGKSA-N 0 1 343.387 2.998 20 5 EFBDMN CCC(=O)c1ccc(N2CCC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000280657659 273351957 /nfs/dbraw/zinc/35/19/57/273351957.db2.gz GHUONKVDNYWLPK-ZDUSSCGKSA-N 0 1 343.387 2.998 20 5 EFBDMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000282071823 273510416 /nfs/dbraw/zinc/51/04/16/273510416.db2.gz NAHBDNKXOKHGGM-JKEMJCCQSA-N 0 1 348.399 2.702 20 5 EFBDMN COCCn1cc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000282956926 273645276 /nfs/dbraw/zinc/64/52/76/273645276.db2.gz ZLXICJGLCKXKTA-KRWDZBQOSA-N 0 1 330.388 2.605 20 5 EFBDMN CCn1ccnc1[C@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449560985 273781170 /nfs/dbraw/zinc/78/11/70/273781170.db2.gz AGIWKFHTOYPNGV-OLZOCXBDSA-N 0 1 345.403 2.879 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC=C(c3ccco3)C2)c1 ZINC000285440263 274000231 /nfs/dbraw/zinc/00/02/31/274000231.db2.gz XNACODUAHQNXLL-INIZCTEOSA-N 0 1 344.367 2.717 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285446308 274001009 /nfs/dbraw/zinc/00/10/09/274001009.db2.gz GBMDJXLKFULKJK-AWEZNQCLSA-N 0 1 348.321 2.753 20 5 EFBDMN Cc1ccc2c(c1)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000285510225 274014824 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EFBDMN Cc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000286360604 274184991 /nfs/dbraw/zinc/18/49/91/274184991.db2.gz KWKHBOISSWLZRF-LURJTMIESA-N 0 1 326.154 2.957 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)cc1N1CCN(C2CCOCC2)CC1 ZINC000288562691 274618628 /nfs/dbraw/zinc/61/86/28/274618628.db2.gz WKKWUMSNMFZVJY-UHFFFAOYSA-N 0 1 325.796 2.549 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C1CC1)C(F)(F)F ZINC000288622619 274631501 /nfs/dbraw/zinc/63/15/01/274631501.db2.gz MQUUNKZVSOOHAZ-LLVKDONJSA-N 0 1 338.307 2.522 20 5 EFBDMN CC(C)[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCN1C ZINC000436377864 276032946 /nfs/dbraw/zinc/03/29/46/276032946.db2.gz OTVPJESETNKWNG-GFCCVEGCSA-N 0 1 332.326 2.785 20 5 EFBDMN COc1cccc(N2CCC(CCN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000364896493 277455775 /nfs/dbraw/zinc/45/57/75/277455775.db2.gz IOHNMMWTSZDCTM-UHFFFAOYSA-N 0 1 349.431 2.542 20 5 EFBDMN CC1(C)CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000319262948 278228200 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O=[N+]([O-])c1ccc(CN2CC[C@](CO)(c3ccccc3)C2)c(F)c1 ZINC000291154549 294292638 /nfs/dbraw/zinc/29/26/38/294292638.db2.gz BRUCFZVPTXFHSB-SFHVURJKSA-N 0 1 330.359 2.870 20 5 EFBDMN CCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)(C)C ZINC000291366289 294360274 /nfs/dbraw/zinc/36/02/74/294360274.db2.gz ZJMSSCBYEQWTJB-UHFFFAOYSA-N 0 1 337.376 2.630 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC1CC(F)(F)C1 ZINC000292199815 294610335 /nfs/dbraw/zinc/61/03/35/294610335.db2.gz GNPKWNVIJKSFLV-UHFFFAOYSA-N 0 1 340.735 2.572 20 5 EFBDMN Cc1cc(NCCN2CCN(C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000292708687 294764272 /nfs/dbraw/zinc/76/42/72/294764272.db2.gz HESSHMYELGKGFH-UHFFFAOYSA-N 0 1 346.353 2.581 20 5 EFBDMN COC[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCO1 ZINC000294149383 295119253 /nfs/dbraw/zinc/11/92/53/295119253.db2.gz OUJXUAYXQBMPES-UONOGXRCSA-N 0 1 348.321 2.897 20 5 EFBDMN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCO1 ZINC000294149385 295119271 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ZINC000295701157 295363122 /nfs/dbraw/zinc/36/31/22/295363122.db2.gz OGETZULCJFPRCF-UHFFFAOYSA-N 0 1 331.376 2.503 20 5 EFBDMN CC(C)c1nc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[nH]1 ZINC000295728626 295367303 /nfs/dbraw/zinc/36/73/03/295367303.db2.gz MGBHCAUZGKSAHK-UHFFFAOYSA-N 0 1 329.316 2.513 20 5 EFBDMN CC(C)c1nc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295826083 295381384 /nfs/dbraw/zinc/38/13/84/295381384.db2.gz UMXXUVNULOWUIT-SNVBAGLBSA-N 0 1 349.416 2.633 20 5 EFBDMN CO[C@@H]1[C@@H](C)[C@@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000295844412 295384683 /nfs/dbraw/zinc/38/46/83/295384683.db2.gz DGQBOBMRIBMYKQ-COLVAYQJSA-N 0 1 346.387 2.794 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc([C@H]4CCCO4)no3)[nH]n2)cc1 ZINC000295931339 295398616 /nfs/dbraw/zinc/39/86/16/295398616.db2.gz NNGXEVXWWMPTOR-CYBMUJFWSA-N 0 1 327.300 2.886 20 5 EFBDMN Cc1cc(NCCN2CCC(O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000296100106 295424486 /nfs/dbraw/zinc/42/44/86/295424486.db2.gz ULXBPRLDZRLMMK-UHFFFAOYSA-N 0 1 347.337 2.791 20 5 EFBDMN C[C@H](NCC(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180447364 310799513 /nfs/dbraw/zinc/79/95/13/310799513.db2.gz XNNOTHYIPIIAKG-LBPRGKRZSA-N 0 1 331.347 2.701 20 5 EFBDMN NC(=O)CC1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000297305783 310878840 /nfs/dbraw/zinc/87/88/40/310878840.db2.gz BYAPVVPUCAHKQO-UHFFFAOYSA-N 0 1 349.774 2.815 20 5 EFBDMN COCCCN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000299254967 311065936 /nfs/dbraw/zinc/06/59/36/311065936.db2.gz DMYUSVQRDOSXRI-JTQLQIEISA-N 0 1 329.784 2.544 20 5 EFBDMN Cc1[nH]nc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)c1[N+](=O)[O-] ZINC000299511280 311092112 /nfs/dbraw/zinc/09/21/12/311092112.db2.gz GDNKMOAIXIPKIW-UHFFFAOYSA-N 0 1 336.298 2.709 20 5 EFBDMN Nc1nc(Nc2cnn(-c3ccccc3Cl)c2)ncc1[N+](=O)[O-] ZINC000301200200 311124179 /nfs/dbraw/zinc/12/41/79/311124179.db2.gz PUYHQGDCJXURFS-UHFFFAOYSA-N 0 1 331.723 2.550 20 5 EFBDMN COc1cc(NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301342101 311132461 /nfs/dbraw/zinc/13/24/61/311132461.db2.gz GMASYATZYLMQGT-BETUJISGSA-N 0 1 337.420 2.903 20 5 EFBDMN CN(Cc1nnc[nH]1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000301348663 311132872 /nfs/dbraw/zinc/13/28/72/311132872.db2.gz JORHRTUDORDFHL-UHFFFAOYSA-N 0 1 337.339 2.580 20 5 EFBDMN COc1ccnc(N2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000301431734 311137000 /nfs/dbraw/zinc/13/70/00/311137000.db2.gz GYPOXTJZKHCPIZ-UHFFFAOYSA-N 0 1 328.372 2.633 20 5 EFBDMN O=[N+]([O-])c1ccsc1NCCN1CCN(Cc2ccccc2)CC1 ZINC000301921166 311166901 /nfs/dbraw/zinc/16/69/01/311166901.db2.gz DLEPVRVELXCWQL-UHFFFAOYSA-N 0 1 346.456 2.886 20 5 EFBDMN Cc1nc(N2CCC(CCCN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000302033893 311173673 /nfs/dbraw/zinc/17/36/73/311173673.db2.gz OMBVYSQSRUVDPQ-UHFFFAOYSA-N 0 1 348.447 2.627 20 5 EFBDMN CC(=O)OC1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302109362 311178189 /nfs/dbraw/zinc/17/81/89/311178189.db2.gz YXXGNBNRLWTITC-UHFFFAOYSA-N 0 1 329.356 2.983 20 5 EFBDMN Cc1cc(N2CCC[C@H](CCC(N)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302183236 311183255 /nfs/dbraw/zinc/18/32/55/311183255.db2.gz OMNXJXZWVBMQIW-CYBMUJFWSA-N 0 1 342.399 2.933 20 5 EFBDMN CCOC(=O)N1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302201755 311184147 /nfs/dbraw/zinc/18/41/47/311184147.db2.gz VMEIBVGUVOOQET-UHFFFAOYSA-N 0 1 344.371 2.730 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000313372876 311232290 /nfs/dbraw/zinc/23/22/90/311232290.db2.gz IUBSXXQNEYBUKM-QGZVFWFLSA-N 0 1 325.368 2.690 20 5 EFBDMN COC(=O)c1cnc([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000315459682 311234591 /nfs/dbraw/zinc/23/45/91/311234591.db2.gz ZCYYPSSSFOQIFV-SNVBAGLBSA-N 0 1 335.385 2.731 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CCC(F)(F)CC1 ZINC000330540046 311321396 /nfs/dbraw/zinc/32/13/96/311321396.db2.gz RGAKQTSPOPZHCR-UHFFFAOYSA-N 0 1 338.307 2.590 20 5 EFBDMN CCN1C[C@@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000330562346 311322164 /nfs/dbraw/zinc/32/21/64/311322164.db2.gz JHWLNNPZUPIOBR-CHWSQXEVSA-N 0 1 345.403 2.559 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(C)(C)OC[C@@H]1C ZINC000331101913 311354444 /nfs/dbraw/zinc/35/44/44/311354444.db2.gz GLYJTWSFWPCCRI-ZDUSSCGKSA-N 0 1 335.404 2.731 20 5 EFBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000340436052 311718000 /nfs/dbraw/zinc/71/80/00/311718000.db2.gz ALEFOIHIDGENBL-LBPRGKRZSA-N 0 1 349.412 2.817 20 5 EFBDMN O=[N+]([O-])c1ccccc1NCCc1noc(C23CCCN2CCC3)n1 ZINC000351221328 311867541 /nfs/dbraw/zinc/86/75/41/311867541.db2.gz MYHLPWWONACEIW-UHFFFAOYSA-N 0 1 343.387 2.717 20 5 EFBDMN COc1cc(CNCc2cc(C)cc(N)c2)c([N+](=O)[O-])cc1OC ZINC000414969196 312068849 /nfs/dbraw/zinc/06/88/49/312068849.db2.gz SLIYSSJSFWUVCH-UHFFFAOYSA-N 0 1 331.372 2.792 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000415650742 312162466 /nfs/dbraw/zinc/16/24/66/312162466.db2.gz BQJCLQSACJHZPQ-UWWPHRKUSA-N 0 1 331.416 2.639 20 5 EFBDMN Cc1c(Cc2noc(C34CCCN3CCC4)n2)cccc1[N+](=O)[O-] ZINC000420489334 312371460 /nfs/dbraw/zinc/37/14/60/312371460.db2.gz VVGPAIXIGYXWJU-UHFFFAOYSA-N 0 1 328.372 2.962 20 5 EFBDMN CCOc1ccc(OC)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432488097 312568979 /nfs/dbraw/zinc/56/89/79/312568979.db2.gz CFVFCPHPQCIGCS-UHFFFAOYSA-N 0 1 332.312 2.960 20 5 EFBDMN Cc1c(CNCc2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000449279117 312683095 /nfs/dbraw/zinc/68/30/95/312683095.db2.gz NZOZZBHOCIMGAH-UHFFFAOYSA-N 0 1 334.397 2.597 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@H]2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453411343 312900387 /nfs/dbraw/zinc/90/03/87/312900387.db2.gz AKHHSCNOQPZOHE-CFVMTHIKSA-N 0 1 347.415 2.798 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456281146 313035673 /nfs/dbraw/zinc/03/56/73/313035673.db2.gz NXMPEQWHHPNFEE-CJNGLKHVSA-N 0 1 326.356 2.732 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCc3cccc(Cl)c3C2)c1[N+](=O)[O-] ZINC000458044708 313061343 /nfs/dbraw/zinc/06/13/43/313061343.db2.gz WGYCPQDRWNNMAT-UHFFFAOYSA-N 0 1 334.763 2.732 20 5 EFBDMN CC(C)NC(=O)c1ccc(N2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487080908 313364060 /nfs/dbraw/zinc/36/40/60/313364060.db2.gz UZGWTGIPPDOTGA-QGZVFWFLSA-N 0 1 348.447 2.509 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1c1nnc[nH]1 ZINC000493082221 314234653 /nfs/dbraw/zinc/23/46/53/314234653.db2.gz HNFXFXJCGYRGII-SCXUMTSISA-N 0 1 345.334 2.619 20 5 EFBDMN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000497302538 315385829 /nfs/dbraw/zinc/38/58/29/315385829.db2.gz DWFGOEWWBSCCAV-DGCLKSJQSA-N 0 1 335.360 2.946 20 5 EFBDMN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000497315351 315390334 /nfs/dbraw/zinc/39/03/34/315390334.db2.gz PMCROWHIZBMIAN-CHWSQXEVSA-N 0 1 336.344 2.629 20 5 EFBDMN CSc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000522438056 316090994 /nfs/dbraw/zinc/09/09/94/316090994.db2.gz FZDIHGPKBIEVEW-UHFFFAOYSA-N 0 1 339.398 2.821 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(S(C)(=O)=O)CCC1 ZINC000530365962 317114809 /nfs/dbraw/zinc/11/48/09/317114809.db2.gz HJFSECBIONUVJY-LBPRGKRZSA-N 0 1 326.418 2.521 20 5 EFBDMN CC(C)(C)OCCCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000530496375 317137662 /nfs/dbraw/zinc/13/76/62/317137662.db2.gz IFKJBFAPTGCRII-UHFFFAOYSA-N 0 1 336.436 2.707 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000531068273 317215109 /nfs/dbraw/zinc/21/51/09/317215109.db2.gz SJCNUKFJPCFWGD-ZDUSSCGKSA-N 0 1 336.779 2.609 20 5 EFBDMN COc1cc(CN(C)C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000531104780 317220829 /nfs/dbraw/zinc/22/08/29/317220829.db2.gz APOLHKRFGQPUKF-UHFFFAOYSA-N 0 1 346.330 2.816 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2ccccn2)c1 ZINC000531200683 317234118 /nfs/dbraw/zinc/23/41/18/317234118.db2.gz PCLLKAZTALVOJH-YJBOKZPZSA-N 0 1 343.383 2.567 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000531306025 317248486 /nfs/dbraw/zinc/24/84/86/317248486.db2.gz GEEHYKXAXKNNHH-GFCCVEGCSA-N 0 1 337.763 2.874 20 5 EFBDMN Cc1ccnc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c1[N+](=O)[O-] ZINC000531853874 317322394 /nfs/dbraw/zinc/32/23/94/317322394.db2.gz MEKLBGWCGURSED-UHFFFAOYSA-N 0 1 328.307 2.835 20 5 EFBDMN Cc1ccnc(NCc2n[nH]c(-c3ccc(F)cc3)n2)c1[N+](=O)[O-] ZINC000531853874 317322397 /nfs/dbraw/zinc/32/23/97/317322397.db2.gz MEKLBGWCGURSED-UHFFFAOYSA-N 0 1 328.307 2.835 20 5 EFBDMN COCCOc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000531938166 317334901 /nfs/dbraw/zinc/33/49/01/317334901.db2.gz HRPOARIZTJBGBO-ZDUSSCGKSA-N 0 1 331.372 2.866 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cnn(C(C)C)c1 ZINC000543502338 317851514 /nfs/dbraw/zinc/85/15/14/317851514.db2.gz SXRKHGMUFJBFMR-CYBMUJFWSA-N 0 1 345.403 2.970 20 5 EFBDMN CC(C)(C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000543684679 317858351 /nfs/dbraw/zinc/85/83/51/317858351.db2.gz QTYYTPCNYQMLBN-JTQLQIEISA-N 0 1 340.323 2.850 20 5 EFBDMN O=C(NC1CC(OCc2ccccc2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000547376338 318001900 /nfs/dbraw/zinc/00/19/00/318001900.db2.gz YMHGKDJYNZJAFV-UHFFFAOYSA-N 0 1 342.351 2.778 20 5 EFBDMN CSCC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N(C)C ZINC000554530231 318320839 /nfs/dbraw/zinc/32/08/39/318320839.db2.gz OJSXSVTZIBEFOD-WFASDCNBSA-N 0 1 339.461 2.764 20 5 EFBDMN Cc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566291052 319058398 /nfs/dbraw/zinc/05/83/98/319058398.db2.gz NVEWQEOUSOURAA-CYBMUJFWSA-N 0 1 335.404 2.991 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)C1 ZINC000566467360 319080721 /nfs/dbraw/zinc/08/07/21/319080721.db2.gz VCWIAGUSTRRZCY-RYUDHWBXSA-N 0 1 330.388 2.631 20 5 EFBDMN CCOC(=O)c1nc(C)[nH]c1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000567610914 319188403 /nfs/dbraw/zinc/18/84/03/319188403.db2.gz PZFKQGIENDNXLP-UHFFFAOYSA-N 0 1 346.343 2.672 20 5 EFBDMN COc1cc(CN[C@@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000567905254 319224410 /nfs/dbraw/zinc/22/44/10/319224410.db2.gz NRIUUDKGPQOAKM-ONGXEEELSA-N 0 1 346.330 2.514 20 5 EFBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCS(=O)(=O)c1ccccc1 ZINC000568533551 319293924 /nfs/dbraw/zinc/29/39/24/319293924.db2.gz SZDRHSADAPJILX-MRXNPFEDSA-N 0 1 346.408 2.646 20 5 EFBDMN COc1cc(CN2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])cc1OC ZINC000568632855 319303539 /nfs/dbraw/zinc/30/35/39/319303539.db2.gz KHGJMTPSFJHRSJ-CQSZACIVSA-N 0 1 343.383 2.997 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](c2ccncc2)C1 ZINC000569107448 319349026 /nfs/dbraw/zinc/34/90/26/319349026.db2.gz WTNBCNNNRFRASC-ZDUSSCGKSA-N 0 1 327.340 2.715 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2cccc(C)n2)c1[N+](=O)[O-] ZINC000569304279 319366330 /nfs/dbraw/zinc/36/63/30/319366330.db2.gz CBQMGMIWCOAMAF-CYBMUJFWSA-N 0 1 329.360 2.561 20 5 EFBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000577958399 320160247 /nfs/dbraw/zinc/16/02/47/320160247.db2.gz JAHPGQHQOKLULT-SFHVURJKSA-N 0 1 326.352 2.823 20 5 EFBDMN Cc1cscc1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578436325 320205929 /nfs/dbraw/zinc/20/59/29/320205929.db2.gz MIQOKRXUWVYINB-UHFFFAOYSA-N 0 1 340.426 2.528 20 5 EFBDMN CC[C@H](C)CN(CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181947788 323256700 /nfs/dbraw/zinc/25/67/00/323256700.db2.gz ADKVUSSOFMNPOO-ZDUSSCGKSA-N 0 1 328.434 2.737 20 5 EFBDMN CC[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCO1 ZINC000182287725 323274779 /nfs/dbraw/zinc/27/47/79/323274779.db2.gz QOVKZCGCWHGDHX-KBPBESRZSA-N 0 1 332.360 2.692 20 5 EFBDMN C[C@@H](C(=O)Nc1ccc2[nH]nnc2c1)c1ccc([N+](=O)[O-])cc1F ZINC000184928590 323378138 /nfs/dbraw/zinc/37/81/38/323378138.db2.gz LMDZUWMWIWCGFE-MRVPVSSYSA-N 0 1 329.291 2.747 20 5 EFBDMN C[C@@H](N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000185897693 323400170 /nfs/dbraw/zinc/40/01/70/323400170.db2.gz UJRNBEBKCBEHSO-BZNIZROVSA-N 0 1 347.802 2.995 20 5 EFBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000579957430 324066431 /nfs/dbraw/zinc/06/64/31/324066431.db2.gz BARRZHOTWSYJBT-FRRDWIJNSA-N 0 1 348.403 2.530 20 5 EFBDMN C[C@@H](CC(=O)[O-])[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000580214422 324122962 /nfs/dbraw/zinc/12/29/62/324122962.db2.gz VHXWWOSBCLZUFE-NSHDSACASA-N 0 1 333.344 2.587 20 5 EFBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000580778966 324234109 /nfs/dbraw/zinc/23/41/09/324234109.db2.gz MPNWOICWFLARJB-ZDUSSCGKSA-N 0 1 332.278 2.910 20 5 EFBDMN Cc1cc(N2CCC3(CCC[N@@H+]3C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581073518 324299388 /nfs/dbraw/zinc/29/93/88/324299388.db2.gz DZOAQTGNGDTHAZ-UHFFFAOYSA-N 0 1 333.388 2.666 20 5 EFBDMN Cc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000582549026 324619472 /nfs/dbraw/zinc/61/94/72/324619472.db2.gz IFMWUMJDCWGZRM-NSHDSACASA-N 0 1 330.344 2.709 20 5 EFBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccn(-c2ccncc2)n1 ZINC000491827358 468365090 /nfs/dbraw/zinc/36/50/90/468365090.db2.gz GHHLBJUNLVMYRU-UTCJRWHESA-N 0 1 335.323 2.827 20 5 EFBDMN O=C(NCCCOc1ccc2ccccc2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000155553377 472567554 /nfs/dbraw/zinc/56/75/54/472567554.db2.gz ALSKLWLQBOIMPO-UHFFFAOYSA-N 0 1 340.339 2.670 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC2(CCCC2)C1 ZINC000139704462 473237145 /nfs/dbraw/zinc/23/71/45/473237145.db2.gz SNMZWONTKRDDFG-UHFFFAOYSA-N 0 1 347.415 2.877 20 5 EFBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(C)noc1C ZINC000161657240 473250968 /nfs/dbraw/zinc/25/09/68/473250968.db2.gz YPAKQRNEIHBQKY-LBPRGKRZSA-N 0 1 343.343 2.957 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc([N-]Cc3cn4c([nH+]3)CCCC4)n2)cc1 ZINC000486955542 468015286 /nfs/dbraw/zinc/01/52/86/468015286.db2.gz GHKTYSGKTDCBLN-UHFFFAOYSA-N 0 1 340.343 2.790 20 5 EFBDMN CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000144439448 473285023 /nfs/dbraw/zinc/28/50/23/473285023.db2.gz BJHQMRGBBKTNIN-ZDUSSCGKSA-N 0 1 331.416 2.859 20 5 EFBDMN Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000147304886 473307464 /nfs/dbraw/zinc/30/74/64/473307464.db2.gz VNPKXXCRDBUUQF-KRWDZBQOSA-N 0 1 339.395 2.908 20 5 EFBDMN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000147304886 473307470 /nfs/dbraw/zinc/30/74/70/473307470.db2.gz VNPKXXCRDBUUQF-KRWDZBQOSA-N 0 1 339.395 2.908 20 5 EFBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177157920 473319445 /nfs/dbraw/zinc/31/94/45/473319445.db2.gz LKVKSELOUUDFHN-YNEHKIRRSA-N 0 1 349.456 2.817 20 5 EFBDMN NC(=O)c1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000177186986 473326997 /nfs/dbraw/zinc/32/69/97/473326997.db2.gz RUIXTKNUMMHSMQ-DZGCQCFKSA-N 0 1 335.429 2.554 20 5 EFBDMN O=C(Nc1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1F ZINC000124961931 473333526 /nfs/dbraw/zinc/33/35/26/473333526.db2.gz PITARQVVIBCTEE-UHFFFAOYSA-N 0 1 336.226 2.857 20 5 EFBDMN COC[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000112986251 473339305 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COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H](C)C[C@H](C)C1 ZINC000007385877 471611287 /nfs/dbraw/zinc/61/12/87/471611287.db2.gz KVCWCUXWNZVGKM-AVGNSLFASA-N 0 1 335.404 2.908 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000010018644 471725908 /nfs/dbraw/zinc/72/59/08/471725908.db2.gz GZTJQFIQRJJVPH-INIZCTEOSA-N 0 1 331.347 2.767 20 5 EFBDMN COc1cc([C@H]2Nc3ccccc3C(=O)N2C)cc([N+](=O)[O-])c1O ZINC000015250221 471893091 /nfs/dbraw/zinc/89/30/91/471893091.db2.gz OCSZYOCJVNXPCZ-HNNXBMFYSA-N 0 1 329.312 2.505 20 5 EFBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000016444653 471937264 /nfs/dbraw/zinc/93/72/64/471937264.db2.gz DTEWIWLFKRGZRZ-MRXNPFEDSA-N 0 1 325.368 2.599 20 5 EFBDMN CCOc1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000053511904 472015557 /nfs/dbraw/zinc/01/55/57/472015557.db2.gz RUWJNIBGSFITDO-UHFFFAOYSA-N 0 1 340.339 2.800 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000054059854 472055320 /nfs/dbraw/zinc/05/53/20/472055320.db2.gz WXYOXAPWEXSTKT-INIZCTEOSA-N 0 1 349.337 2.906 20 5 EFBDMN CCc1nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n[nH]1 ZINC000054978970 472128131 /nfs/dbraw/zinc/12/81/31/472128131.db2.gz KXJLRZPNOYBVRZ-UHFFFAOYSA-N 0 1 332.345 2.618 20 5 EFBDMN CCc1n[nH]c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000054978970 472128135 /nfs/dbraw/zinc/12/81/35/472128135.db2.gz KXJLRZPNOYBVRZ-UHFFFAOYSA-N 0 1 332.345 2.618 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000027592148 472186522 /nfs/dbraw/zinc/18/65/22/472186522.db2.gz TXQLRMZOIQIOPF-LBPRGKRZSA-N 0 1 337.376 2.828 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000027677480 472190220 /nfs/dbraw/zinc/19/02/20/472190220.db2.gz OLNPCOGBASGZEL-CYBMUJFWSA-N 0 1 349.412 2.698 20 5 EFBDMN COCc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000055595219 472210026 /nfs/dbraw/zinc/21/00/26/472210026.db2.gz XQKZTPJRXWMKOF-UHFFFAOYSA-N 0 1 336.369 2.850 20 5 EFBDMN COc1ccc2[nH]cc(C3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)c2c1 ZINC000055681754 472224247 /nfs/dbraw/zinc/22/42/47/472224247.db2.gz NBCVHAMXPACPAR-RHSMWYFYSA-N 0 1 343.383 2.548 20 5 EFBDMN Cc1c(NC(=O)N2CCN(C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000043347220 472226534 /nfs/dbraw/zinc/22/65/34/472226534.db2.gz KUNQPISPJOIJEG-UHFFFAOYSA-N 0 1 332.404 2.995 20 5 EFBDMN CCCNC(=O)C1(NCc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000085863458 472270228 /nfs/dbraw/zinc/27/02/28/472270228.db2.gz OTTHXZGOGDDGIA-UHFFFAOYSA-N 0 1 349.431 2.922 20 5 EFBDMN COCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000056136376 472285926 /nfs/dbraw/zinc/28/59/26/472285926.db2.gz QRDGXYYMGGWEFX-UHFFFAOYSA-N 0 1 332.360 2.502 20 5 EFBDMN CN(C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000056459446 472324248 /nfs/dbraw/zinc/32/42/48/472324248.db2.gz DWUSTYBAUVFKFE-OAHLLOKOSA-N 0 1 348.428 2.758 20 5 EFBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000030529841 472336959 /nfs/dbraw/zinc/33/69/59/472336959.db2.gz OUUGSEOCOFARIX-UHFFFAOYSA-N 0 1 332.341 2.580 20 5 EFBDMN COCC(C)(C)NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000076495266 472356908 /nfs/dbraw/zinc/35/69/08/472356908.db2.gz ZUUMRFCTEKCRFN-UHFFFAOYSA-N 0 1 334.319 2.719 20 5 EFBDMN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1 ZINC000045083726 472371708 /nfs/dbraw/zinc/37/17/08/472371708.db2.gz GCEPGUWREYCNFW-UHFFFAOYSA-N 0 1 337.807 2.949 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(N2CCC(CCN3CCOCC3)CC2)c1 ZINC000088716443 472381353 /nfs/dbraw/zinc/38/13/53/472381353.db2.gz DMIUFBYGPMKIQL-UHFFFAOYSA-N 0 1 333.432 2.842 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000076654223 472381527 /nfs/dbraw/zinc/38/15/27/472381527.db2.gz PQJMNYXOXSYDSQ-JOYOIKCWSA-N 0 1 332.335 2.784 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1NCC1(N2CCOCC2)CCCCC1 ZINC000076664347 472382155 /nfs/dbraw/zinc/38/21/55/472382155.db2.gz VBAKKPWHODRAPR-UHFFFAOYSA-N 0 1 334.420 2.745 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2n[nH]cc21 ZINC000057119649 472383500 /nfs/dbraw/zinc/38/35/00/472383500.db2.gz MGFDWNMRJFFUOK-UHFFFAOYSA-N 0 1 332.341 2.580 20 5 EFBDMN O=C(NCCCOc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045296865 472390103 /nfs/dbraw/zinc/39/01/03/472390103.db2.gz UEYSWEKUFCYNBY-UHFFFAOYSA-N 0 1 340.339 2.670 20 5 EFBDMN C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)N1 ZINC000154236747 472405695 /nfs/dbraw/zinc/40/56/95/472405695.db2.gz WPJIFUKSXAUGON-QWRGUYRKSA-N 0 1 346.412 2.541 20 5 EFBDMN Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000045527865 472420967 /nfs/dbraw/zinc/42/09/67/472420967.db2.gz RBKQVMFYUJETOS-QGZVFWFLSA-N 0 1 339.395 2.908 20 5 EFBDMN CC(=O)NC[C@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000097083835 472438055 /nfs/dbraw/zinc/43/80/55/472438055.db2.gz RFPQVQLTASRUJJ-CQSZACIVSA-N 0 1 342.399 2.804 20 5 EFBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000128349678 472439607 /nfs/dbraw/zinc/43/96/07/472439607.db2.gz GNFHOSHNSPEQQE-UHFFFAOYSA-N 0 1 347.396 2.989 20 5 EFBDMN CN(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000032732347 472458818 /nfs/dbraw/zinc/45/88/18/472458818.db2.gz NBGCCBYNIVOBEB-KRWDZBQOSA-N 0 1 345.374 2.696 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cccc(Cl)c1 ZINC000128548963 472467438 /nfs/dbraw/zinc/46/74/38/472467438.db2.gz JNLHOGNRRADRNO-UHFFFAOYSA-N 0 1 344.751 2.866 20 5 EFBDMN CC[C@@H](NCC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000128573902 472470399 /nfs/dbraw/zinc/47/03/99/472470399.db2.gz AFADNNFPJUZEPI-QGZVFWFLSA-N 0 1 327.384 2.952 20 5 EFBDMN O=C(CCN1CCOc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000077233934 472483636 /nfs/dbraw/zinc/48/36/36/472483636.db2.gz BXZOEEDCTIZRNS-UHFFFAOYSA-N 0 1 341.367 2.818 20 5 EFBDMN CCOc1ccc([C@@H](C)N[C@H]2CCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000089728823 472493761 /nfs/dbraw/zinc/49/37/61/472493761.db2.gz JWCRBBQGGZKKEV-OCCSQVGLSA-N 0 1 335.404 2.653 20 5 EFBDMN Cc1noc(C)c1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000058140511 472508145 /nfs/dbraw/zinc/50/81/45/472508145.db2.gz SRKJWLYVDKEPOH-UHFFFAOYSA-N 0 1 346.387 2.969 20 5 EFBDMN C[C@@H]1COC[C@H](C)N1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000077364784 472513914 /nfs/dbraw/zinc/51/39/14/472513914.db2.gz REHQPKCNNXYCNC-BETUJISGSA-N 0 1 331.372 2.902 20 5 EFBDMN C[C@H]1COC[C@H](C)N1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000077364787 472514001 /nfs/dbraw/zinc/51/40/01/472514001.db2.gz REHQPKCNNXYCNC-STQMWFEESA-N 0 1 331.372 2.902 20 5 EFBDMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000077395914 472520636 /nfs/dbraw/zinc/52/06/36/472520636.db2.gz ZWEHBKWGPZRXLH-JQWIXIFHSA-N 0 1 345.403 2.623 20 5 EFBDMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000077395921 472520840 /nfs/dbraw/zinc/52/08/40/472520840.db2.gz ZWEHBKWGPZRXLH-PWSUYJOCSA-N 0 1 345.403 2.623 20 5 EFBDMN CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119327646 472545717 /nfs/dbraw/zinc/54/57/17/472545717.db2.gz IFEHIKLWENGXKE-CQSZACIVSA-N 0 1 335.404 2.541 20 5 EFBDMN C[C@H](O)[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089927424 472548114 /nfs/dbraw/zinc/54/81/14/472548114.db2.gz ZNUYWMBPFGFGDY-JSGCOSHPSA-N 0 1 331.372 2.843 20 5 EFBDMN COc1ccc(NC(=O)CCN2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000155498922 472559067 /nfs/dbraw/zinc/55/90/67/472559067.db2.gz JBZCIZSXRFBALE-UHFFFAOYSA-N 0 1 341.367 2.948 20 5 EFBDMN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000155591441 472576234 /nfs/dbraw/zinc/57/62/34/472576234.db2.gz LSZSAKIORQZRNN-MRVPVSSYSA-N 0 1 342.277 2.698 20 5 EFBDMN CCc1cc(NCc2n[nH]c(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000071905789 472612189 /nfs/dbraw/zinc/61/21/89/472612189.db2.gz JSUCIMOOLXULRH-UHFFFAOYSA-N 0 1 339.359 2.653 20 5 EFBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccccc1F ZINC000103202362 472617383 /nfs/dbraw/zinc/61/73/83/472617383.db2.gz MEPFXLIYKBABOD-UHFFFAOYSA-N 0 1 327.275 2.771 20 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CCc1nn(C)c(NC[C@H](c2ccco2)N2CCCC2)c1[N+](=O)[O-] ZINC000092826958 472994745 /nfs/dbraw/zinc/99/47/45/472994745.db2.gz ZABWQADQWOOVLV-CYBMUJFWSA-N 0 1 333.392 2.733 20 5 EFBDMN CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074448220 473009104 /nfs/dbraw/zinc/00/91/04/473009104.db2.gz AHXSFNOUQHMKGO-OAHLLOKOSA-N 0 1 343.383 2.924 20 5 EFBDMN CN(C)CCN(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000080684866 473069178 /nfs/dbraw/zinc/06/91/78/473069178.db2.gz DKBKDOIEUTYEDH-UHFFFAOYSA-N 0 1 327.384 2.824 20 5 EFBDMN Cc1ccc(CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000051965358 473074337 /nfs/dbraw/zinc/07/43/37/473074337.db2.gz DJQNKKWAHOGMDC-INIZCTEOSA-N 0 1 346.383 2.901 20 5 EFBDMN Cc1ccc(CN2CCCC[C@H]2CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000093362765 473094695 /nfs/dbraw/zinc/09/46/95/473094695.db2.gz KEHZCFBASGDLTH-INIZCTEOSA-N 0 1 331.416 2.880 20 5 EFBDMN COc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)ccc1[N+](=O)[O-] ZINC000160231124 473099304 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O=C(NCC1(CCO)CCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000137258023 473201172 /nfs/dbraw/zinc/20/11/72/473201172.db2.gz UYHRFVVGVZJFAM-UHFFFAOYSA-N 0 1 346.387 2.534 20 5 EFBDMN CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000151266558 473435491 /nfs/dbraw/zinc/43/54/91/473435491.db2.gz RRFPGJDSUWMYEQ-KRWDZBQOSA-N 0 1 348.447 2.586 20 5 EFBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000151266558 473435497 /nfs/dbraw/zinc/43/54/97/473435497.db2.gz RRFPGJDSUWMYEQ-KRWDZBQOSA-N 0 1 348.447 2.586 20 5 EFBDMN O=[N+]([O-])c1ccc(CCN2CCN(c3cccc(O)c3)CC2)cc1 ZINC000114562390 473481446 /nfs/dbraw/zinc/48/14/46/473481446.db2.gz PFTSRCJPLRQBPH-UHFFFAOYSA-N 0 1 327.384 2.665 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCC(OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000151728985 473488074 /nfs/dbraw/zinc/48/80/74/473488074.db2.gz VMMOHNVNRJVQAD-UHFFFAOYSA-N 0 1 338.408 2.690 20 5 EFBDMN NC(=O)[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000151824877 473496688 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Cc1cc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)ccc1[N+](=O)[O-] ZINC000172181897 473543505 /nfs/dbraw/zinc/54/35/05/473543505.db2.gz NOCUOQQFYITRLQ-UHFFFAOYSA-N 0 1 332.341 2.580 20 5 EFBDMN O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000152390874 473557405 /nfs/dbraw/zinc/55/74/05/473557405.db2.gz ZWZVGKBQDGMRNC-FRFSOERESA-N 0 1 348.362 2.787 20 5 EFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@@H]1CCOC1 ZINC000178788087 473564525 /nfs/dbraw/zinc/56/45/25/473564525.db2.gz SCIWUVIDUYCZRH-MNOVXSKESA-N 0 1 341.795 2.544 20 5 EFBDMN CC[C@H]1COCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000115576488 473585534 /nfs/dbraw/zinc/58/55/34/473585534.db2.gz ZXJWIKZBLMNFBU-AWEZNQCLSA-N 0 1 331.372 2.903 20 5 EFBDMN CN(C)c1noc(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000191898443 473587504 /nfs/dbraw/zinc/58/75/04/473587504.db2.gz MVKZHJUYTGMSGV-OCCSQVGLSA-N 0 1 345.403 2.545 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000172377469 473594520 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EFBDMN NC(=O)c1ccc(CN[C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000192511995 473687473 /nfs/dbraw/zinc/68/74/73/473687473.db2.gz OEODRPDXKOZTOI-QGZVFWFLSA-N 0 1 325.368 2.935 20 5 EFBDMN CCO[C@H]1C[C@@](CO)(NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000186576856 473692797 /nfs/dbraw/zinc/69/27/97/473692797.db2.gz SRENLHHKDNCXPC-HOCLYGCPSA-N 0 1 342.823 2.904 20 5 EFBDMN NC(=O)[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000179577902 473696303 /nfs/dbraw/zinc/69/63/03/473696303.db2.gz IXDXKVZUGQGGRV-AWEZNQCLSA-N 0 1 331.397 2.773 20 5 EFBDMN CCCCc1nc2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2[nH]1 ZINC000179591264 473697357 /nfs/dbraw/zinc/69/73/57/473697357.db2.gz CKUBHMFOCQRSGG-UHFFFAOYSA-N 0 1 342.359 2.800 20 5 EFBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000179599646 473698036 /nfs/dbraw/zinc/69/80/36/473698036.db2.gz NKVSGAZTJKHNKI-SSDOTTSWSA-N 0 1 344.249 2.708 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@H](CC)Cc2ccccc2)c1[N+](=O)[O-] ZINC000192627863 473698162 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CCc1[nH]nc(C(=O)N2Cc3ccccc3C[C@H]2CC)c1[N+](=O)[O-] ZINC000192902779 473744856 /nfs/dbraw/zinc/74/48/56/473744856.db2.gz LZAOBGOARNMXSJ-CYBMUJFWSA-N 0 1 328.372 2.857 20 5 EFBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000269299754 473766212 /nfs/dbraw/zinc/76/62/12/473766212.db2.gz TZQKLWHIWMGOEU-OAHLLOKOSA-N 0 1 326.352 2.930 20 5 EFBDMN COc1cc(CN2CCC[C@]2(C)CCCO)c([N+](=O)[O-])cc1F ZINC000274296930 473775886 /nfs/dbraw/zinc/77/58/86/473775886.db2.gz IOGLSOFGTFDVCS-MRXNPFEDSA-N 0 1 326.368 2.870 20 5 EFBDMN CC[N@@H+](CC(=O)[O-])C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000263576006 473783051 /nfs/dbraw/zinc/78/30/51/473783051.db2.gz PVLAEWDVGSVLDZ-CQSZACIVSA-N 0 1 349.431 2.835 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263582112 473784829 /nfs/dbraw/zinc/78/48/29/473784829.db2.gz YDCJJDCPCPPGBV-GJZGRUSLSA-N 0 1 349.431 2.835 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 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333.413 2.932 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCC2)CC1 ZINC000282022662 473921424 /nfs/dbraw/zinc/92/14/24/473921424.db2.gz SILARJFBKVLQEX-UHFFFAOYSA-N 0 1 348.403 2.696 20 5 EFBDMN COc1ccc(OCCN2CCS[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000173770018 473928287 /nfs/dbraw/zinc/92/82/87/473928287.db2.gz MDVDDENDEXUZQP-VXGBXAGGSA-N 0 1 326.418 2.808 20 5 EFBDMN CCOc1cccc([C@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000180668977 473936740 /nfs/dbraw/zinc/93/67/40/473936740.db2.gz QEDGNHQQUVLCAK-LBPRGKRZSA-N 0 1 343.383 2.943 20 5 EFBDMN CSc1ccc(C(=O)NCCCc2cn[nH]c2C)cc1[N+](=O)[O-] ZINC000194756643 473947658 /nfs/dbraw/zinc/94/76/58/473947658.db2.gz URHYWLAFQOOHFR-UHFFFAOYSA-N 0 1 334.401 2.711 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCCn3c(cc4ccccc43)C2)c1[N+](=O)[O-] ZINC000288498146 473961554 /nfs/dbraw/zinc/96/15/54/473961554.db2.gz DRODVEUFHZTSEH-UHFFFAOYSA-N 0 1 339.355 2.627 20 5 EFBDMN O=C(N[C@@H](C1CC1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288577103 473986834 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20 5 EFBDMN CCS(=O)(=O)CCCCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282431414 474063533 /nfs/dbraw/zinc/06/35/33/474063533.db2.gz KESPGNOISJMMBX-UHFFFAOYSA-N 0 1 342.461 2.674 20 5 EFBDMN Cc1c(C(=O)N2CCN(C)CC23CCCCC3)cccc1[N+](=O)[O-] ZINC000174570296 474063868 /nfs/dbraw/zinc/06/38/68/474063868.db2.gz WBZDKRALQVJVRP-UHFFFAOYSA-N 0 1 331.416 2.994 20 5 EFBDMN CN(C)C(=O)[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000270306521 474065744 /nfs/dbraw/zinc/06/57/44/474065744.db2.gz FZQSSFLYMVTEOI-KRWDZBQOSA-N 0 1 327.384 2.556 20 5 EFBDMN CCc1[nH]nc(C(=O)N(Cc2cccc(F)c2)C2CC2)c1[N+](=O)[O-] ZINC000195412789 474071960 /nfs/dbraw/zinc/07/19/60/474071960.db2.gz ANCRSAACEHDEAU-UHFFFAOYSA-N 0 1 332.335 2.824 20 5 EFBDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2OC)C2CC2)c1[N+](=O)[O-] ZINC000195436512 474075707 /nfs/dbraw/zinc/07/57/07/474075707.db2.gz JTLXYDFNCSGJNL-UHFFFAOYSA-N 0 1 344.371 2.694 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](C3OCCO3)C2)c(Cl)c1 ZINC000182123390 474103565 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Cc1[nH]nc(C(=O)N(CCc2ccc(F)cc2)C2CC2)c1[N+](=O)[O-] ZINC000265322263 474174998 /nfs/dbraw/zinc/17/49/98/474174998.db2.gz IWXNWNTUGYOHHK-UHFFFAOYSA-N 0 1 332.335 2.613 20 5 EFBDMN Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000275426227 474182091 /nfs/dbraw/zinc/18/20/91/474182091.db2.gz DYLDPXZICGRSEN-KBPBESRZSA-N 0 1 336.779 2.602 20 5 EFBDMN Cn1ccnc1[C@H]1OCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000275442750 474188335 /nfs/dbraw/zinc/18/83/35/474188335.db2.gz FYKGXHWLWVYCIH-KBPBESRZSA-N 0 1 336.779 2.602 20 5 EFBDMN CCOC(=O)c1ccnc(N[C@H](C)c2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000270618538 474191912 /nfs/dbraw/zinc/19/19/12/474191912.db2.gz BRZSTTCRVMPFIM-SECBINFHSA-N 0 1 348.363 2.581 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000270717994 474235021 /nfs/dbraw/zinc/23/50/21/474235021.db2.gz HPAZZYRHXPKXLU-MRVPVSSYSA-N 0 1 337.767 2.981 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000275560094 474235048 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COc1ccc(CC(=O)Nc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000609016579 480109652 /nfs/dbraw/zinc/10/96/52/480109652.db2.gz PAYWFQYRRNDEND-UHFFFAOYSA-N 0 1 326.312 2.661 20 5 EFBDMN CNC(=O)[C@H](C)CN(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290019979 474529155 /nfs/dbraw/zinc/52/91/55/474529155.db2.gz PEWDRVOBQNTSFG-MRVPVSSYSA-N 0 1 334.203 2.716 20 5 EFBDMN C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000249113000 474530300 /nfs/dbraw/zinc/53/03/00/474530300.db2.gz WBWFYOXFQYITQO-DOMZBBRYSA-N 0 1 335.429 2.528 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(C)C)CC1 ZINC000184677678 474582340 /nfs/dbraw/zinc/58/23/40/474582340.db2.gz BOCCGBRHJMWBGJ-MRXNPFEDSA-N 0 1 333.432 2.716 20 5 EFBDMN COC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184753408 474600910 /nfs/dbraw/zinc/60/09/10/474600910.db2.gz QCQCDYPIVPAIJL-CQSZACIVSA-N 0 1 347.371 2.802 20 5 EFBDMN COC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184753423 474601074 /nfs/dbraw/zinc/60/10/74/474601074.db2.gz QCQCDYPIVPAIJL-AWEZNQCLSA-N 0 1 347.371 2.802 20 5 EFBDMN C[C@@H](C(=O)N1CCN(C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184798086 474610309 /nfs/dbraw/zinc/61/03/09/474610309.db2.gz FYRZRZMPMRKHLW-CYBMUJFWSA-N 0 1 349.406 2.924 20 5 EFBDMN NC(=O)CCC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272926364 474643083 /nfs/dbraw/zinc/64/30/83/474643083.db2.gz JLUVFFFEUMGACL-UHFFFAOYSA-N 0 1 325.796 2.726 20 5 EFBDMN Cc1cc(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000273019527 474674119 /nfs/dbraw/zinc/67/41/19/474674119.db2.gz RWFUMKIYLZWFBK-QGZVFWFLSA-N 0 1 330.388 2.539 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000284661627 474712354 /nfs/dbraw/zinc/71/23/54/474712354.db2.gz FWRPHHFOTZYOCV-UHFFFAOYSA-N 0 1 335.360 2.896 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000344412108 474730052 /nfs/dbraw/zinc/73/00/52/474730052.db2.gz CVVKGNYJCKAYPD-STQMWFEESA-N 0 1 337.445 2.628 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c1[N+](=O)[O-] ZINC000268005683 474746955 /nfs/dbraw/zinc/74/69/55/474746955.db2.gz OADJIRIBDOQRSN-JTQLQIEISA-N 0 1 348.384 2.565 20 5 EFBDMN CCCCCC(=O)NC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338943433 474758769 /nfs/dbraw/zinc/75/87/69/474758769.db2.gz ZUKRSZQXRFTZRS-UHFFFAOYSA-N 0 1 349.431 2.961 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000268028877 474759908 /nfs/dbraw/zinc/75/99/08/474759908.db2.gz MSRABAWYOBEMEI-NSHDSACASA-N 0 1 332.335 2.649 20 5 EFBDMN C[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1CO ZINC000305742903 474763838 /nfs/dbraw/zinc/76/38/38/474763838.db2.gz SUWGTAXRWOJKJU-MLGOLLRUSA-N 0 1 331.372 2.843 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000284777947 474767364 /nfs/dbraw/zinc/76/73/64/474767364.db2.gz NCWKCORSSCTFAA-GJZGRUSLSA-N 0 1 344.371 2.788 20 5 EFBDMN CN(C)Cc1ccsc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000268150136 474829423 /nfs/dbraw/zinc/82/94/23/474829423.db2.gz RGZXDYZWJVCCKX-UHFFFAOYSA-N 0 1 333.413 2.990 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H](CO)CC3)co2)cc1 ZINC000293209423 474868389 /nfs/dbraw/zinc/86/83/89/474868389.db2.gz RDKGSDGVVBDVCN-ZDUSSCGKSA-N 0 1 331.372 2.844 20 5 EFBDMN O=C1CCCN1C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255573200 474875870 /nfs/dbraw/zinc/87/58/70/474875870.db2.gz FEULBHQDYWPHGS-UTCJRWHESA-N 0 1 329.400 2.695 20 5 EFBDMN COC[C@@H](c1ccc(Cl)cc1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000278856976 474876607 /nfs/dbraw/zinc/87/66/07/474876607.db2.gz GCTBEGPJOUBXFK-AWEZNQCLSA-N 0 1 338.795 2.764 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](CO)CC1 ZINC000293250828 474891207 /nfs/dbraw/zinc/89/12/07/474891207.db2.gz TZCDSDOIAXRMPS-OLZOCXBDSA-N 0 1 346.387 2.800 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](CO)CC1 ZINC000293250821 474891573 /nfs/dbraw/zinc/89/15/73/474891573.db2.gz TZCDSDOIAXRMPS-CHWSQXEVSA-N 0 1 346.387 2.800 20 5 EFBDMN C[C@H]1CCC[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000319047909 474896121 /nfs/dbraw/zinc/89/61/21/474896121.db2.gz CQZBPSTYNBORID-WDEREUQCSA-N 0 1 330.381 2.839 20 5 EFBDMN C[C@@H]1CCC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000319047904 474896335 /nfs/dbraw/zinc/89/63/35/474896335.db2.gz CQZBPSTYNBORID-MNOVXSKESA-N 0 1 330.381 2.839 20 5 EFBDMN C[C@H](Cc1cccs1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319481417 474900811 /nfs/dbraw/zinc/90/08/11/474900811.db2.gz SRYJUAMSLUWVPH-SECBINFHSA-N 0 1 344.389 2.705 20 5 EFBDMN CC(C)[C@@H](CNc1c(Cl)cccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000320250455 474910326 /nfs/dbraw/zinc/91/03/26/474910326.db2.gz IBZJQAIVVTUPPF-OAHLLOKOSA-N 0 1 340.855 2.932 20 5 EFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCCCO ZINC000278913617 474912585 /nfs/dbraw/zinc/91/25/85/474912585.db2.gz QSEVIMSOAYAGCK-LLVKDONJSA-N 0 1 343.811 2.670 20 5 EFBDMN COc1cc(CN(C)CCCCCO)c([N+](=O)[O-])cc1OC(F)F ZINC000278947612 474936439 /nfs/dbraw/zinc/93/64/39/474936439.db2.gz VGPLDPJTXLSSMJ-UHFFFAOYSA-N 0 1 348.346 2.799 20 5 EFBDMN CCC[C@@]1(C(=O)OCC)CCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339130433 474959159 /nfs/dbraw/zinc/95/91/59/474959159.db2.gz VIQXMIGKNCHKBG-KRWDZBQOSA-N 0 1 336.388 2.998 20 5 EFBDMN CCN1C[C@H](C)N(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@H]1C ZINC000345173295 474960554 /nfs/dbraw/zinc/96/05/54/474960554.db2.gz MQBBVPQYZUWNIL-KGLIPLIRSA-N 0 1 348.447 2.652 20 5 EFBDMN CCc1ccccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000324082946 474961069 /nfs/dbraw/zinc/96/10/69/474961069.db2.gz FXPSWPOYWNEVBZ-UHFFFAOYSA-N 0 1 338.360 2.775 20 5 EFBDMN CCN1C[C@@H](C)N(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@H]1C ZINC000345173302 474961285 /nfs/dbraw/zinc/96/12/85/474961285.db2.gz MQBBVPQYZUWNIL-ZIAGYGMSSA-N 0 1 348.447 2.652 20 5 EFBDMN Cc1c(CN[C@@H](C(N)=O)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000292345802 474974217 /nfs/dbraw/zinc/97/42/17/474974217.db2.gz XETOKZJSHLQQNM-CXAGYDPISA-N 0 1 327.384 2.650 20 5 EFBDMN COC(=O)[C@]1(C)CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000337419587 474998206 /nfs/dbraw/zinc/99/82/06/474998206.db2.gz ARQGJYLAWGLKJQ-MEBBXXQBSA-N 0 1 326.780 2.879 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@@](C)(C(=O)OC)C1 ZINC000337429986 475009157 /nfs/dbraw/zinc/00/91/57/475009157.db2.gz FPFGEDVVQDOAPU-PXAZEXFGSA-N 0 1 336.388 2.625 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[C@@](C)(C(=O)OC)C1 ZINC000337429987 475009728 /nfs/dbraw/zinc/00/97/28/475009728.db2.gz FPFGEDVVQDOAPU-SJCJKPOMSA-N 0 1 336.388 2.625 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268921520 475071797 /nfs/dbraw/zinc/07/17/97/475071797.db2.gz WUPLEYCJYBVTLR-LLVKDONJSA-N 0 1 331.332 2.526 20 5 EFBDMN CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC(C)(C)C1 ZINC000292609512 475113780 /nfs/dbraw/zinc/11/37/80/475113780.db2.gz IKTXOAFTXPVVFD-GFCCVEGCSA-N 0 1 346.387 2.891 20 5 EFBDMN NC1(c2noc(-c3ccc(Br)cc3[N+](=O)[O-])n2)CCC1 ZINC000261941806 475121480 /nfs/dbraw/zinc/12/14/80/475121480.db2.gz MUMYNOGWLGOSCY-UHFFFAOYSA-N 0 1 339.149 2.745 20 5 EFBDMN C[C@@H]1COCC[C@@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000287421547 475139581 /nfs/dbraw/zinc/13/95/81/475139581.db2.gz KBYITMICJMBIEB-UNEWFSDZSA-N 0 1 344.415 2.680 20 5 EFBDMN CC(C)[C@@H](CCO)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000273962923 475139843 /nfs/dbraw/zinc/13/98/43/475139843.db2.gz GPYAIJQXJROYOS-BXUZGUMPSA-N 0 1 334.376 2.702 20 5 EFBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000269037115 475140214 /nfs/dbraw/zinc/14/02/14/475140214.db2.gz XRBUBQVCLFTQNC-CQSZACIVSA-N 0 1 341.371 2.700 20 5 EFBDMN CC(C)(C(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000269044423 475145562 /nfs/dbraw/zinc/14/55/62/475145562.db2.gz YYCQMKQAELOXQW-CQSZACIVSA-N 0 1 328.372 2.789 20 5 EFBDMN O=C([C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287456712 475154849 /nfs/dbraw/zinc/15/48/49/475154849.db2.gz QZYCQMIDBGWOMW-ZDUSSCGKSA-N 0 1 337.807 2.693 20 5 EFBDMN CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)cc1 ZINC000341584893 475165867 /nfs/dbraw/zinc/16/58/67/475165867.db2.gz MKFZGUSKHGTBGE-UHFFFAOYSA-N 0 1 335.791 2.932 20 5 EFBDMN O=C(N[C@@H]1CCCC[C@@H]1OC(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000337595686 475166336 /nfs/dbraw/zinc/16/63/36/475166336.db2.gz FRQQHMGDKLKXAY-NEPJUHHUSA-N 0 1 330.287 2.581 20 5 EFBDMN COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000345413500 475173455 /nfs/dbraw/zinc/17/34/55/475173455.db2.gz HBZVYSMZYPVSKO-IINYFYTJSA-N 0 1 344.371 2.858 20 5 EFBDMN CC(C)C[C@@H](N)c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000339394997 475192180 /nfs/dbraw/zinc/19/21/80/475192180.db2.gz RVEBWHCBFSJZMC-CQSZACIVSA-N 0 1 342.359 2.876 20 5 EFBDMN CC(C)C[C@H](N)c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000339399332 475195505 /nfs/dbraw/zinc/19/55/05/475195505.db2.gz ZIPXPHMCBOGYKR-LBPRGKRZSA-N 0 1 343.343 2.945 20 5 EFBDMN CCC[N@@H+](CC(=O)[O-])Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000262377698 475228482 /nfs/dbraw/zinc/22/84/82/475228482.db2.gz NPJOPVNSMDFMMF-UHFFFAOYSA-N 0 1 348.302 2.501 20 5 EFBDMN C[C@@]12CCCN1C[C@H](c1noc(-c3cc(F)cc([N+](=O)[O-])c3)n1)OC2 ZINC000347325684 475231991 /nfs/dbraw/zinc/23/19/91/475231991.db2.gz HQBGKJFLBLLKBT-CJNGLKHVSA-N 0 1 348.334 2.710 20 5 EFBDMN COc1ccc(OCC[N@@H+]2CC[C@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296279341 475250907 /nfs/dbraw/zinc/25/09/07/475250907.db2.gz YZHXLMNMVIEHDP-INIZCTEOSA-N 0 1 338.404 2.729 20 5 EFBDMN Cc1cc(-c2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000347346698 475252701 /nfs/dbraw/zinc/25/27/01/475252701.db2.gz XQRHPILIIOPYKT-WMLDXEAASA-N 0 1 344.371 2.879 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262515242 475253897 /nfs/dbraw/zinc/25/38/97/475253897.db2.gz LATTURYQTXOHBU-UONOGXRCSA-N 0 1 335.404 2.527 20 5 EFBDMN CC(C)(C(=O)Nc1ccc2[nH]nnc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000337726298 475276093 /nfs/dbraw/zinc/27/60/93/475276093.db2.gz CHBLQNHPWSFRQL-UHFFFAOYSA-N 0 1 325.328 2.782 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000347373904 475277155 /nfs/dbraw/zinc/27/71/55/475277155.db2.gz MOTIXMUZXLFLTK-RCBBPTIPSA-N 0 1 344.415 2.534 20 5 EFBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCc2n[nH]c(=O)cc2C1 ZINC000347380977 475281328 /nfs/dbraw/zinc/28/13/28/475281328.db2.gz SQMBUYJAMGUXMT-KPKJPENVSA-N 0 1 326.356 2.552 20 5 EFBDMN CC1(C)[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]2CCO[C@@H]21 ZINC000296407618 475301592 /nfs/dbraw/zinc/30/15/92/475301592.db2.gz VBCNGFZUICSOFA-CFVMTHIKSA-N 0 1 344.371 2.548 20 5 EFBDMN Cc1noc(-c2ccccc2)c1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000357996567 475319759 /nfs/dbraw/zinc/31/97/59/475319759.db2.gz VSDRGDDIMBUQSG-UHFFFAOYSA-N 0 1 327.300 2.544 20 5 EFBDMN CC1=CCN(CCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358047748 475360699 /nfs/dbraw/zinc/36/06/99/475360699.db2.gz MLHWDWMFJBCWOJ-CYBMUJFWSA-N 0 1 335.379 2.606 20 5 EFBDMN CSCC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000352505110 475361225 /nfs/dbraw/zinc/36/12/25/475361225.db2.gz XXAQALGIBKQSKN-TZMCWYRMSA-N 0 1 339.461 2.764 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000331696694 475381899 /nfs/dbraw/zinc/38/18/99/475381899.db2.gz ZFNXONBNBCWXFA-LBPRGKRZSA-N 0 1 329.360 2.814 20 5 EFBDMN O=C([C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1)N1CCCC1 ZINC000331719666 475389400 /nfs/dbraw/zinc/38/94/00/475389400.db2.gz JSYSSJFFYYXULM-CQSZACIVSA-N 0 1 335.379 2.568 20 5 EFBDMN Cn1nccc1[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000361377916 475398730 /nfs/dbraw/zinc/39/87/30/475398730.db2.gz LGANQRWGKZHGSH-GFCCVEGCSA-N 0 1 341.371 2.849 20 5 EFBDMN CC(C)[C@]1(CO)CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339706646 475429853 /nfs/dbraw/zinc/42/98/53/475429853.db2.gz VTJBCCSNVDUYTA-KBXCAEBGSA-N 0 1 349.431 2.652 20 5 EFBDMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000354830027 475442583 /nfs/dbraw/zinc/44/25/83/475442583.db2.gz JJVQVFULIFSRBX-OLZOCXBDSA-N 0 1 345.374 2.903 20 5 EFBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000345778188 475443299 /nfs/dbraw/zinc/44/32/99/475443299.db2.gz LEOMHAFAWVTKMK-PBHICJAKSA-N 0 1 348.447 2.998 20 5 EFBDMN O=C(Nc1ccc2nc[nH]c2c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352631326 475473723 /nfs/dbraw/zinc/47/37/23/475473723.db2.gz VNBGYMLNMDEEPP-UHFFFAOYSA-N 0 1 348.322 2.909 20 5 EFBDMN CN1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000341981979 475474709 /nfs/dbraw/zinc/47/47/09/475474709.db2.gz CLYYWUUDDNJGBL-LJQANCHMSA-N 0 1 325.412 2.954 20 5 EFBDMN CC(C)(NC(=O)[C@H]1CCCc2[nH]cnc21)c1ccccc1[N+](=O)[O-] ZINC000345812833 475474951 /nfs/dbraw/zinc/47/49/51/475474951.db2.gz ZKXOANRJKKTCRK-NSHDSACASA-N 0 1 328.372 2.789 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC4(CCOCC4)CC3)nc2c1 ZINC000341984714 475476935 /nfs/dbraw/zinc/47/69/35/475476935.db2.gz FBKHIWWCYLOBPG-UHFFFAOYSA-N 0 1 330.388 2.864 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)[C@H]1CCC[C@@H]1O ZINC000352656515 475498159 /nfs/dbraw/zinc/49/81/59/475498159.db2.gz AXGLSRZATHUKFY-SWHYSGLUSA-N 0 1 332.360 2.551 20 5 EFBDMN COc1cc(CN(CC2CCC2)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000361501606 475500761 /nfs/dbraw/zinc/50/07/61/475500761.db2.gz RSVSVVSALMWLOX-NSHDSACASA-N 0 1 326.368 2.725 20 5 EFBDMN Cc1c(CN2CCCC[C@H]2CN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000361524521 475519873 /nfs/dbraw/zinc/51/98/73/475519873.db2.gz AOJKUVPZCPCEDI-INIZCTEOSA-N 0 1 331.416 2.880 20 5 EFBDMN COC(=O)COc1ccc(CN2CCCC3(CC3)C2)cc1[N+](=O)[O-] ZINC000354927979 475529610 /nfs/dbraw/zinc/52/96/10/475529610.db2.gz SNBZKILCSOLZHX-UHFFFAOYSA-N 0 1 334.372 2.523 20 5 EFBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cccnn2)CC1 ZINC000352695711 475540218 /nfs/dbraw/zinc/54/02/18/475540218.db2.gz ZYFDNHGXKLBVGO-UHFFFAOYSA-N 0 1 345.378 2.625 20 5 EFBDMN CCN(C[C@@H](C)OC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361572075 475559346 /nfs/dbraw/zinc/55/93/46/475559346.db2.gz CGPJEUVTTUEZPU-MNOVXSKESA-N 0 1 343.811 2.932 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@](CO)(c2ccccc2)C1 ZINC000361590760 475576569 /nfs/dbraw/zinc/57/65/69/475576569.db2.gz JYHHMQFDTRTZMS-GOSISDBHSA-N 0 1 330.359 2.870 20 5 EFBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C2CCOCC2)C1 ZINC000332259834 475579056 /nfs/dbraw/zinc/57/90/56/475579056.db2.gz AXXUWPXEXAGPIZ-DZGCQCFKSA-N 0 1 347.415 2.670 20 5 EFBDMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1c([N+](=O)[O-])ncn1C ZINC000348306069 475579773 /nfs/dbraw/zinc/57/97/73/475579773.db2.gz WWSZLQMLWYTRGB-MRXNPFEDSA-N 0 1 345.447 2.575 20 5 EFBDMN COCCCC[C@H](NCc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000348317034 475587139 /nfs/dbraw/zinc/58/71/39/475587139.db2.gz GHZSORCCCBJPOQ-HNNXBMFYSA-N 0 1 332.404 2.976 20 5 EFBDMN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCN1C ZINC000346427599 475600185 /nfs/dbraw/zinc/60/01/85/475600185.db2.gz VGVKERQVNGFLRM-RNCFNFMXSA-N 0 1 345.321 2.826 20 5 EFBDMN Cc1n[nH]c(C(F)F)c1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000358359730 475617573 /nfs/dbraw/zinc/61/75/73/475617573.db2.gz TXMSBHGXFPWKPJ-UHFFFAOYSA-N 0 1 340.286 2.972 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000332427219 475634256 /nfs/dbraw/zinc/63/42/56/475634256.db2.gz UXNMADYXQCQFPY-RISCZKNCSA-N 0 1 328.372 2.892 20 5 EFBDMN C[C@H](NC(=O)N1C[C@H]2CCCCN2C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000332432533 475635571 /nfs/dbraw/zinc/63/55/71/475635571.db2.gz HTFSYLUKYQQNQQ-SOUVJXGZSA-N 0 1 346.431 2.924 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000342995668 475683278 /nfs/dbraw/zinc/68/32/78/475683278.db2.gz CURVXBKRUSSNEB-VHSXEESVSA-N 0 1 349.416 2.633 20 5 EFBDMN C[C@H](C(=O)N1C[C@H]2CCCCN2C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000332631102 475694169 /nfs/dbraw/zinc/69/41/69/475694169.db2.gz UWATUAMXEHCHDD-VNHYZAJKSA-N 0 1 349.406 2.923 20 5 EFBDMN Cc1cc([C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000338244860 475707570 /nfs/dbraw/zinc/70/75/70/475707570.db2.gz GDYRDFRNQDKIMA-CYBMUJFWSA-N 0 1 346.362 2.714 20 5 EFBDMN COc1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])c(OC)n1 ZINC000353147940 475719907 /nfs/dbraw/zinc/71/99/07/475719907.db2.gz FSJKVDAJVFIHBI-ALCCZGGFSA-N 0 1 329.356 2.810 20 5 EFBDMN O=[N+]([O-])c1c(NCCc2ccc3cn[nH]c3c2)nc2sccn21 ZINC000343049062 475721193 /nfs/dbraw/zinc/72/11/93/475721193.db2.gz GPSAIWTYVVTYPJ-UHFFFAOYSA-N 0 1 328.357 2.835 20 5 EFBDMN Cc1c(CNCc2ccc3c(c2)oc(=O)n3C)cccc1[N+](=O)[O-] ZINC000353167192 475739362 /nfs/dbraw/zinc/73/93/62/475739362.db2.gz MCCMESCZGWZRLO-UHFFFAOYSA-N 0 1 327.340 2.638 20 5 EFBDMN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000340091021 475751154 /nfs/dbraw/zinc/75/11/54/475751154.db2.gz XANBXPYXMXHRDX-UHFFFAOYSA-N 0 1 345.321 2.781 20 5 EFBDMN CC(C)(C(=O)N[C@H]1CCCc2cn[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000343102336 475771107 /nfs/dbraw/zinc/77/11/07/475771107.db2.gz INOXOMWNVHCMEV-ZDUSSCGKSA-N 0 1 328.372 2.789 20 5 EFBDMN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1COC[C@@H]1O ZINC000348631472 475785640 /nfs/dbraw/zinc/78/56/40/475785640.db2.gz DJXRXRIRYSZKRJ-CABCVRRESA-N 0 1 334.397 2.515 20 5 EFBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1COC[C@@H]1O ZINC000348648711 475799578 /nfs/dbraw/zinc/79/95/78/475799578.db2.gz RNFCUUAGTPHFNL-CABCVRRESA-N 0 1 334.397 2.515 20 5 EFBDMN Cc1ccc2c(c1)CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000361841274 475800348 /nfs/dbraw/zinc/80/03/48/475800348.db2.gz CLOYIWSDZSTMSC-GOSISDBHSA-N 0 1 342.395 2.701 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN1CCN(Cc2ccccc2)CC1 ZINC000338347499 475811661 /nfs/dbraw/zinc/81/16/61/475811661.db2.gz JETGAYSQGCHTEF-UHFFFAOYSA-N 0 1 341.411 2.791 20 5 EFBDMN O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cccnc1 ZINC000361865626 475822005 /nfs/dbraw/zinc/82/20/05/475822005.db2.gz OYLXXHGUAOMUFD-UHFFFAOYSA-N 0 1 340.383 2.983 20 5 EFBDMN C[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000340173905 475824398 /nfs/dbraw/zinc/82/43/98/475824398.db2.gz KGSYISUVUAFZDW-LBPRGKRZSA-N 0 1 349.412 2.817 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000338361935 475825712 /nfs/dbraw/zinc/82/57/12/475825712.db2.gz SBTXYKSANLSJGT-SFHVURJKSA-N 0 1 339.395 2.875 20 5 EFBDMN CCC[C@@H](NCc1ccc(C(N)=O)nc1)c1cccc([N+](=O)[O-])c1 ZINC000361924401 475869307 /nfs/dbraw/zinc/86/93/07/475869307.db2.gz NGRHWTFAFNMFJE-OAHLLOKOSA-N 0 1 328.372 2.720 20 5 EFBDMN CC1=CCN(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000355366610 475872278 /nfs/dbraw/zinc/87/22/78/475872278.db2.gz NXXFEHLPBXNXSS-UHFFFAOYSA-N 0 1 340.383 2.525 20 5 EFBDMN O=[N+]([O-])c1ccc(CCN[C@H](c2nnc[nH]2)c2ccc(F)cc2)cc1 ZINC000340230954 475873253 /nfs/dbraw/zinc/87/32/53/475873253.db2.gz MPUHFXCSVWPLJP-INIZCTEOSA-N 0 1 341.346 2.774 20 5 EFBDMN Cc1c([C@H](C)NC[C@H]2CCCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000346805338 475874674 /nfs/dbraw/zinc/87/46/74/475874674.db2.gz IFTVPKSWGSCFBA-QWHCGFSZSA-N 0 1 326.418 2.521 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000297780287 475884513 /nfs/dbraw/zinc/88/45/13/475884513.db2.gz WUESPXLIBACDPG-QWRGUYRKSA-N 0 1 346.391 2.958 20 5 EFBDMN O=[N+]([O-])c1ccccc1CCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000340249089 475888942 /nfs/dbraw/zinc/88/89/42/475888942.db2.gz YANULFLFXZLKSQ-AWEZNQCLSA-N 0 1 329.385 2.696 20 5 EFBDMN COCC1(C)CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000358738242 475895827 /nfs/dbraw/zinc/89/58/27/475895827.db2.gz DIAQZWRKDKFQIV-ZDUSSCGKSA-N 0 1 335.404 2.670 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)NCc2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000297884718 475915948 /nfs/dbraw/zinc/91/59/48/475915948.db2.gz JDBVOYGIUGYDPT-LLVKDONJSA-N 0 1 346.391 2.705 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)N(CC)C[C@H]2C)c1 ZINC000338460189 475926160 /nfs/dbraw/zinc/92/61/60/475926160.db2.gz XXFPOOQLAYUPRN-QWHCGFSZSA-N 0 1 335.404 2.548 20 5 EFBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000353397854 475936759 /nfs/dbraw/zinc/93/67/59/475936759.db2.gz YCVDQCDFHANCJD-NSHDSACASA-N 0 1 327.340 2.777 20 5 EFBDMN CCO[C@@H]1COCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000362021177 475942545 /nfs/dbraw/zinc/94/25/45/475942545.db2.gz YSWTYDQGGGLQCN-DOTOQJQBSA-N 0 1 338.404 2.666 20 5 EFBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000343343940 475968432 /nfs/dbraw/zinc/96/84/32/475968432.db2.gz BWSCZSQDRGAYEG-QMMMGPOBSA-N 0 1 335.389 2.624 20 5 EFBDMN O=[N+]([O-])c1cccnc1N1CCN(CCCCC2CCOCC2)CC1 ZINC000298093188 475979345 /nfs/dbraw/zinc/97/93/45/475979345.db2.gz MTYFLFMQQVMRAP-UHFFFAOYSA-N 0 1 348.447 2.709 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc2nc(C)[nH]c21 ZINC000338541445 475995860 /nfs/dbraw/zinc/99/58/60/475995860.db2.gz WCFSBORRYGCDKX-UHFFFAOYSA-N 0 1 340.339 2.718 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1cccnc1 ZINC000346968629 475998038 /nfs/dbraw/zinc/99/80/38/475998038.db2.gz LGFGDRDQFBZKIL-HZPDHXFCSA-N 0 1 343.383 2.567 20 5 EFBDMN Cc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(C)c1 ZINC000346972910 476000887 /nfs/dbraw/zinc/00/08/87/476000887.db2.gz NWUZSBJHJLNDFS-UHFFFAOYSA-N 0 1 338.360 2.829 20 5 EFBDMN O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CC[C@@H](CO)O2)c2ccccc2)c1 ZINC000340414642 476020127 /nfs/dbraw/zinc/02/01/27/476020127.db2.gz ILUFYGZCVTXFPG-GBESFXJTSA-N 0 1 342.395 2.814 20 5 EFBDMN CCn1ccnc1[C@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000343400980 476028363 /nfs/dbraw/zinc/02/83/63/476028363.db2.gz LCWNVRNQJFVGIE-CABCVRRESA-N 0 1 334.351 2.570 20 5 EFBDMN Cc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000340444113 476039542 /nfs/dbraw/zinc/03/95/42/476039542.db2.gz JUNKIWMRKYQSSL-KRWDZBQOSA-N 0 1 339.395 2.794 20 5 EFBDMN COCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C)C1 ZINC000362162335 476041879 /nfs/dbraw/zinc/04/18/79/476041879.db2.gz LOYLKKKHXSNZFT-YOEHRIQHSA-N 0 1 349.431 2.695 20 5 EFBDMN COCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C)C1 ZINC000362162332 476042250 /nfs/dbraw/zinc/04/22/50/476042250.db2.gz LOYLKKKHXSNZFT-PBHICJAKSA-N 0 1 349.431 2.695 20 5 EFBDMN C[C@H](NCC(=O)N(C)Cc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000298382811 476075966 /nfs/dbraw/zinc/07/59/66/476075966.db2.gz NZBGKBQVHZZIGD-LBPRGKRZSA-N 0 1 333.413 2.966 20 5 EFBDMN CCC[C@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CCN1CCOC ZINC000338696067 476116369 /nfs/dbraw/zinc/11/63/69/476116369.db2.gz SBTBPXUEQHRFLN-AWEZNQCLSA-N 0 1 337.420 2.541 20 5 EFBDMN COC[C@@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000353611322 476123679 /nfs/dbraw/zinc/12/36/79/476123679.db2.gz CDJFHXCPRLFBJF-SNVBAGLBSA-N 0 1 346.330 2.673 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)n[nH]1 ZINC000357058954 476196110 /nfs/dbraw/zinc/19/61/10/476196110.db2.gz RHFXPZJNJGDDAY-ZJUUUORDSA-N 0 1 347.375 2.726 20 5 EFBDMN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000350487326 476209447 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ORTOZAVVQAOZGS-CYBMUJFWSA-N 0 1 335.404 2.657 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595026822 478632491 /nfs/dbraw/zinc/63/24/91/478632491.db2.gz MMWBQNNAZQOOLU-RYUDHWBXSA-N 0 1 335.404 2.653 20 5 EFBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000591845232 478648142 /nfs/dbraw/zinc/64/81/42/478648142.db2.gz UYBOHAUWPNHDEB-CYBMUJFWSA-N 0 1 329.194 2.560 20 5 EFBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000591845233 478648164 /nfs/dbraw/zinc/64/81/64/478648164.db2.gz UYBOHAUWPNHDEB-ZDUSSCGKSA-N 0 1 329.194 2.560 20 5 EFBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cn(CC)nn1 ZINC000595066702 478649808 /nfs/dbraw/zinc/64/98/08/478649808.db2.gz BJIPURXZSMCYOY-GFCCVEGCSA-N 0 1 335.433 2.867 20 5 EFBDMN CN(C)CCN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 ZINC000582744403 478673829 /nfs/dbraw/zinc/67/38/29/478673829.db2.gz FYCPUKCKZYRLQS-UHFFFAOYSA-N 0 1 349.434 2.848 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H]4OCC[C@@H]4C3)co2)cc1 ZINC000582782597 478682800 /nfs/dbraw/zinc/68/28/00/478682800.db2.gz DVEMWDRAZMFTSH-CJNGLKHVSA-N 0 1 329.356 2.861 20 5 EFBDMN COc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1F ZINC000598196585 478699123 /nfs/dbraw/zinc/69/91/23/478699123.db2.gz GTQHCEIMSVKWKH-LBPRGKRZSA-N 0 1 348.334 2.751 20 5 EFBDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000571895176 478704731 /nfs/dbraw/zinc/70/47/31/478704731.db2.gz MIWOWCGKFLWJHF-ZBEGNZNMSA-N 0 1 346.412 2.771 20 5 EFBDMN CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000601227696 478735092 /nfs/dbraw/zinc/73/50/92/478735092.db2.gz IAJUSGNXBKUDNV-UHFFFAOYSA-N 0 1 326.784 2.806 20 5 EFBDMN Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583027494 478746922 /nfs/dbraw/zinc/74/69/22/478746922.db2.gz QMNCGMNEROKFBA-HWWQOWPSSA-N 0 1 347.415 2.768 20 5 EFBDMN Cc1noc(CN2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595403433 478762532 /nfs/dbraw/zinc/76/25/32/478762532.db2.gz FICDEHCIIIZRBC-KBPBESRZSA-N 0 1 344.415 2.986 20 5 EFBDMN Cc1ccc([C@@H](C)NC[C@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601293609 478769093 /nfs/dbraw/zinc/76/90/93/478769093.db2.gz IHBRNDSVXMHEKS-MFKMUULPSA-N 0 1 343.309 2.949 20 5 EFBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](n1cncn1)C(F)(F)F ZINC000601293652 478769327 /nfs/dbraw/zinc/76/93/27/478769327.db2.gz IJIPSGQQZKSICY-WCQYABFASA-N 0 1 341.293 2.567 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc4c(n3)CCC4)C2)nc1 ZINC000583189425 478786977 /nfs/dbraw/zinc/78/69/77/478786977.db2.gz HZSOPSFDJPFSII-HNNXBMFYSA-N 0 1 339.399 2.560 20 5 EFBDMN COC(=O)[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000592128961 478788764 /nfs/dbraw/zinc/78/87/64/478788764.db2.gz FIWYMHHUDOCADX-IUODEOHRSA-N 0 1 336.388 2.623 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(c2cnc[nH]2)CC1 ZINC000492055130 478802507 /nfs/dbraw/zinc/80/25/07/478802507.db2.gz BLPZDGVULQZSRZ-RQOWECAXSA-N 0 1 344.346 2.876 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598401065 478806187 /nfs/dbraw/zinc/80/61/87/478806187.db2.gz CNXGSTFXJPBRKE-CYBMUJFWSA-N 0 1 344.371 2.735 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC2(C[C@@H]1C)CCOCC2 ZINC000592181459 478816087 /nfs/dbraw/zinc/81/60/87/478816087.db2.gz DMHLZDKNPHWEML-AWEZNQCLSA-N 0 1 347.415 2.733 20 5 EFBDMN Cc1ccc(CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1[N+](=O)[O-] ZINC000572378491 478824204 /nfs/dbraw/zinc/82/42/04/478824204.db2.gz GTYAWVQWFAPCDE-INIZCTEOSA-N 0 1 331.416 2.640 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCCc2cn[nH]c21 ZINC000492120927 478833579 /nfs/dbraw/zinc/83/35/79/478833579.db2.gz VUTMAOGJQLYLLE-VGVVRCBHSA-N 0 1 330.319 2.664 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000544557127 478847625 /nfs/dbraw/zinc/84/76/25/478847625.db2.gz WIDIVOQPJSJRND-UWVGGRQHSA-N 0 1 349.366 2.956 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@H](OC)C(C)C ZINC000592352823 478865101 /nfs/dbraw/zinc/86/51/01/478865101.db2.gz QXMCKPBYPSUHGZ-AWEZNQCLSA-N 0 1 330.406 2.570 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](CO)Cc1ccccc1 ZINC000595592470 478872907 /nfs/dbraw/zinc/87/29/07/478872907.db2.gz OXERFCZOXMUGMP-KRWDZBQOSA-N 0 1 330.384 2.639 20 5 EFBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](CO)Cc1ccccc1 ZINC000595592222 478873567 /nfs/dbraw/zinc/87/35/67/478873567.db2.gz NGQVYEGQGJSXAT-HNNXBMFYSA-N 0 1 340.383 2.507 20 5 EFBDMN CC[N@@H+](C)Cc1cccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000565038561 478892913 /nfs/dbraw/zinc/89/29/13/478892913.db2.gz RBQWAAZAKPZUCU-UHFFFAOYSA-N 0 1 344.371 2.752 20 5 EFBDMN Cc1ccc2c(c1)CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000595659263 478921028 /nfs/dbraw/zinc/92/10/28/478921028.db2.gz ZLVQAKIANHDTHK-QGZVFWFLSA-N 0 1 342.395 2.701 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647759 478944469 /nfs/dbraw/zinc/94/44/69/478944469.db2.gz FDEHEKQHRYNFLY-YRGRVCCFSA-N 0 1 346.387 2.656 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647759 478944482 /nfs/dbraw/zinc/94/44/82/478944482.db2.gz FDEHEKQHRYNFLY-YRGRVCCFSA-N 0 1 346.387 2.656 20 5 EFBDMN COc1cc(CN2CCC[C@H](C)[C@@H]2CCO)c([N+](=O)[O-])cc1F ZINC000595702200 478946723 /nfs/dbraw/zinc/94/67/23/478946723.db2.gz SWBOUURCNRYSKA-FZMZJTMJSA-N 0 1 326.368 2.725 20 5 EFBDMN Cc1ccc(S(=O)(=O)Nc2cc3c(cn2)CCC3)c(C)c1[N+](=O)[O-] ZINC000598734795 478996718 /nfs/dbraw/zinc/99/67/18/478996718.db2.gz OOBMHSCQGOFYTR-UHFFFAOYSA-N 0 1 347.396 2.896 20 5 EFBDMN Cc1[nH+]ccn1CCCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000584116433 479019880 /nfs/dbraw/zinc/01/98/80/479019880.db2.gz XRRAVUQXDPHWTP-UHFFFAOYSA-N 0 1 332.360 2.999 20 5 EFBDMN CC[C@@H]1CN(C)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000573239911 479022978 /nfs/dbraw/zinc/02/29/78/479022978.db2.gz UZIFQTUWRJFIAK-CYBMUJFWSA-N 0 1 342.237 2.883 20 5 EFBDMN CC(=O)NCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000584173285 479041506 /nfs/dbraw/zinc/04/15/06/479041506.db2.gz LNQFIQAOJCJZBO-UHFFFAOYSA-N 0 1 333.413 2.891 20 5 EFBDMN O=C([O-])C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000573330820 479042724 /nfs/dbraw/zinc/04/27/24/479042724.db2.gz ASWKZWLJLFXEID-UHFFFAOYSA-N 0 1 344.367 2.603 20 5 EFBDMN O=C([O-])C[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000565600264 479044481 /nfs/dbraw/zinc/04/44/81/479044481.db2.gz LTGZIKQAMOYCSA-ZDUSSCGKSA-N 0 1 345.355 2.731 20 5 EFBDMN Cc1ccc(CN2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000601878998 479054208 /nfs/dbraw/zinc/05/42/08/479054208.db2.gz DUOUPRFLEDLBTJ-MRXNPFEDSA-N 0 1 339.395 2.908 20 5 EFBDMN CCCN(C(=O)c1ccc(OCC)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592832189 479064096 /nfs/dbraw/zinc/06/40/96/479064096.db2.gz STERVWYWZOZVQH-AWEZNQCLSA-N 0 1 335.404 2.550 20 5 EFBDMN CC1(C)CCN(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000514797741 479069236 /nfs/dbraw/zinc/06/92/36/479069236.db2.gz YXQRHHGZWZGWQE-INIZCTEOSA-N 0 1 349.456 2.901 20 5 EFBDMN O=C([O-])C[N@@H+](CCc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000565720435 479070791 /nfs/dbraw/zinc/07/07/91/479070791.db2.gz DYLKSWNWMYQRSX-UHFFFAOYSA-N 0 1 328.368 2.767 20 5 EFBDMN CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000565718345 479070808 /nfs/dbraw/zinc/07/08/08/479070808.db2.gz ILLNMAKMWYIFLV-LLVKDONJSA-N 0 1 341.795 2.509 20 5 EFBDMN Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592970883 479112247 /nfs/dbraw/zinc/11/22/47/479112247.db2.gz LIOXMLCOKIQBDV-UHFFFAOYSA-N 0 1 330.344 2.709 20 5 EFBDMN Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592978957 479114416 /nfs/dbraw/zinc/11/44/16/479114416.db2.gz UAQUOJLALLZIRC-OCCSQVGLSA-N 0 1 333.388 2.522 20 5 EFBDMN C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000596075194 479123405 /nfs/dbraw/zinc/12/34/05/479123405.db2.gz JOQXUBWBNITYPC-SNVBAGLBSA-N 0 1 334.401 2.616 20 5 EFBDMN Cc1cc(N2CCCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])s1 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1 328.434 2.630 20 5 EFBDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000599128554 479171489 /nfs/dbraw/zinc/17/14/89/479171489.db2.gz OWCVXQXVJJJWQO-QGZVFWFLSA-N 0 1 341.415 2.732 20 5 EFBDMN COC(=O)CN(CCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000610770646 479182476 /nfs/dbraw/zinc/18/24/76/479182476.db2.gz BHHDKYGUIYBJRM-UHFFFAOYSA-N 0 1 336.388 2.781 20 5 EFBDMN COc1cc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000602998078 479188259 /nfs/dbraw/zinc/18/82/59/479188259.db2.gz WWQIKBXCOHDWMD-INWMFGNUSA-N 0 1 338.379 2.868 20 5 EFBDMN CS[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000596197658 479193631 /nfs/dbraw/zinc/19/36/31/479193631.db2.gz ZDROIABZUOLBNE-QWHCGFSZSA-N 0 1 342.852 2.659 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000584664292 479199854 /nfs/dbraw/zinc/19/98/54/479199854.db2.gz BLVQBFNHOBWQBW-QWRGUYRKSA-N 0 1 325.796 2.803 20 5 EFBDMN C[C@@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[C@H](C)N1CCO ZINC000596257808 479226818 /nfs/dbraw/zinc/22/68/18/479226818.db2.gz MRFJTOXIHAENMB-PHIMTYICSA-N 0 1 347.337 2.505 20 5 EFBDMN C[C@@H]1[C@@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000593187642 479228409 /nfs/dbraw/zinc/22/84/09/479228409.db2.gz NGVFABHYZGZEOG-YNEHKIRRSA-N 0 1 337.445 2.626 20 5 EFBDMN O=[N+]([O-])c1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C(F)(F)F ZINC000596262568 479229646 /nfs/dbraw/zinc/22/96/46/479229646.db2.gz GRICYIYJVFDMKE-TXEJJXNPSA-N 0 1 345.321 2.889 20 5 EFBDMN O=[N+]([O-])c1cc(NCCN2C[C@H]3CC[C@@H](C2)O3)ccc1C(F)(F)F ZINC000596262568 479229647 /nfs/dbraw/zinc/22/96/47/479229647.db2.gz GRICYIYJVFDMKE-TXEJJXNPSA-N 0 1 345.321 2.889 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593188571 479230119 /nfs/dbraw/zinc/23/01/19/479230119.db2.gz LWIQPQUVTRUSIA-UTUOFQBUSA-N 0 1 339.823 2.730 20 5 EFBDMN CSc1ccc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593188123 479230547 /nfs/dbraw/zinc/23/05/47/479230547.db2.gz VTRSTJSOBGFGBC-WOPDTQHZSA-N 0 1 337.445 2.870 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000593189640 479230657 /nfs/dbraw/zinc/23/06/57/479230657.db2.gz WNBMKHLTFFSANT-UPJWGTAASA-N 0 1 337.445 2.626 20 5 EFBDMN C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000593190526 479232213 /nfs/dbraw/zinc/23/22/13/479232213.db2.gz MFZQFBFUPLRLBP-LKFLVWNSSA-N 0 1 331.416 2.638 20 5 EFBDMN CC(C)O[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000593242140 479257246 /nfs/dbraw/zinc/25/72/46/479257246.db2.gz YCUAYLQSFPVZNK-LBPRGKRZSA-N 0 1 332.360 2.501 20 5 EFBDMN Cc1cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n[nH]1 ZINC000611210424 479311215 /nfs/dbraw/zinc/31/12/15/479311215.db2.gz QUNJGUXMZCCNJX-UHFFFAOYSA-N 0 1 329.360 2.501 20 5 EFBDMN COCCC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000599506793 479315852 /nfs/dbraw/zinc/31/58/52/479315852.db2.gz IPHGWUJLZSWPKI-UHFFFAOYSA-N 0 1 336.388 2.710 20 5 EFBDMN O=C([O-])c1cnc(NC[C@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000574640633 479321060 /nfs/dbraw/zinc/32/10/60/479321060.db2.gz MBTLFTYQGWZQFB-CQSZACIVSA-N 0 1 348.403 2.897 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]1[C@H]1CCCO1)OCCO2 ZINC000585767837 479323496 /nfs/dbraw/zinc/32/34/96/479323496.db2.gz IVUBSIXKNZGXEU-UKRRQHHQSA-N 0 1 334.372 2.509 20 5 EFBDMN CN(CC(=O)N(C)C1CCCCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611254509 479324743 /nfs/dbraw/zinc/32/47/43/479324743.db2.gz YCPDFHRTCYUIFV-UHFFFAOYSA-N 0 1 335.404 2.523 20 5 EFBDMN COC(=O)[C@@H](C)CN(C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602446532 479336615 /nfs/dbraw/zinc/33/66/15/479336615.db2.gz FXIZTFJRZJGHMC-VIFPVBQESA-N 0 1 334.294 2.855 20 5 EFBDMN Cn1ccnc1[C@@H](N[C@H]1CC[C@@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000586790701 479354718 /nfs/dbraw/zinc/35/47/18/479354718.db2.gz WQDWJVADHNYLPX-LXZKKBNFSA-N 0 1 344.415 2.558 20 5 EFBDMN CC(C)[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000611395665 479366656 /nfs/dbraw/zinc/36/66/56/479366656.db2.gz RNAHJVVVUMBGSR-HNNXBMFYSA-N 0 1 339.823 2.985 20 5 EFBDMN Cc1noc(C)c1[C@@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611409152 479370392 /nfs/dbraw/zinc/37/03/92/479370392.db2.gz UXOMFSIBOBLCLB-SNVBAGLBSA-N 0 1 332.360 2.879 20 5 EFBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599655751 479373180 /nfs/dbraw/zinc/37/31/80/479373180.db2.gz OPMQDCMJRTYIKJ-WVSHTKLVSA-N 0 1 329.194 2.560 20 5 EFBDMN CC(C)[C@@H]1CNCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000602527064 479383442 /nfs/dbraw/zinc/38/34/42/479383442.db2.gz JIZCALGPAQAJCI-ZDUSSCGKSA-N 0 1 333.413 2.880 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1C1CCOCC1 ZINC000611479914 479389655 /nfs/dbraw/zinc/38/96/55/479389655.db2.gz FFCSEQIBNZZMQT-OAHLLOKOSA-N 0 1 344.371 2.502 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc4cnccc4o3)C2)nc1 ZINC000593575613 479391621 /nfs/dbraw/zinc/39/16/21/479391621.db2.gz IJMZAOLITUIFPM-ZDUSSCGKSA-N 0 1 339.355 2.817 20 5 EFBDMN CS[C@@H](CO)[C@H](C)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602556737 479395581 /nfs/dbraw/zinc/39/55/81/479395581.db2.gz MHNRGPIRDKOJRN-UFBFGSQYSA-N 0 1 338.351 2.816 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CNCCCOCC3CCOCC3)nc2c1 ZINC000602560781 479398048 /nfs/dbraw/zinc/39/80/48/479398048.db2.gz UHMLIBFKZXZEPR-UHFFFAOYSA-N 0 1 349.387 2.659 20 5 EFBDMN CC[C@H](C)[C@H](O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602565710 479399098 /nfs/dbraw/zinc/39/90/98/479399098.db2.gz RQINFRAHTBNQPL-OIBJUYFYSA-N 0 1 337.239 2.915 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000611515107 479401810 /nfs/dbraw/zinc/40/18/10/479401810.db2.gz XZDMVDDDFZZFAY-RDJZCZTQSA-N 0 1 333.432 2.761 20 5 EFBDMN CCC(=O)N1CC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602570940 479402528 /nfs/dbraw/zinc/40/25/28/479402528.db2.gz YMONNOSOWVZYRT-LBPRGKRZSA-N 0 1 345.321 2.714 20 5 EFBDMN O=[N+]([O-])c1ccsc1N1CCC(CCCN2CCOCC2)CC1 ZINC000611539854 479409051 /nfs/dbraw/zinc/40/90/51/479409051.db2.gz MWXUBDIUVFSNPA-UHFFFAOYSA-N 0 1 339.461 2.985 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000593650996 479413540 /nfs/dbraw/zinc/41/35/40/479413540.db2.gz OBNLTCITBDXHJY-VHSXEESVSA-N 0 1 349.366 2.785 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000611555488 479414056 /nfs/dbraw/zinc/41/40/56/479414056.db2.gz MVJPGXOQCOBQJE-MRXNPFEDSA-N 0 1 328.324 2.983 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611559698 479416137 /nfs/dbraw/zinc/41/61/37/479416137.db2.gz IOFODAVMPYKJKK-STQMWFEESA-N 0 1 334.372 2.579 20 5 EFBDMN CC1(C)[C@H](O)C[C@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602620698 479429047 /nfs/dbraw/zinc/42/90/47/479429047.db2.gz DGRPNYJJXBKKEF-RKDXNWHRSA-N 0 1 335.223 2.668 20 5 EFBDMN C[C@H](CNc1cccnc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000603854063 479439268 /nfs/dbraw/zinc/43/92/68/479439268.db2.gz NDJHXEZNULJXGZ-OAHLLOKOSA-N 0 1 341.415 2.612 20 5 EFBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000593735750 479439272 /nfs/dbraw/zinc/43/92/72/479439272.db2.gz VOKQNIXXVKXHDH-UHFFFAOYSA-N 0 1 326.352 2.892 20 5 EFBDMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593738034 479440914 /nfs/dbraw/zinc/44/09/14/479440914.db2.gz KVRIVGPUMAXUDN-HUUCEWRRSA-N 0 1 336.388 2.928 20 5 EFBDMN O=C([O-])[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000593743665 479443154 /nfs/dbraw/zinc/44/31/54/479443154.db2.gz HNSUDPWNNXQLJU-OAHLLOKOSA-N 0 1 342.351 2.658 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000593747881 479445357 /nfs/dbraw/zinc/44/53/57/479445357.db2.gz FAOBXSHCYXZEKF-DOMZBBRYSA-N 0 1 336.388 2.925 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000593749266 479446074 /nfs/dbraw/zinc/44/60/74/479446074.db2.gz DOKXTVUBQRNNDW-UHFFFAOYSA-N 0 1 342.351 2.860 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000593749266 479446084 /nfs/dbraw/zinc/44/60/84/479446084.db2.gz DOKXTVUBQRNNDW-UHFFFAOYSA-N 0 1 342.351 2.860 20 5 EFBDMN CCOC(=O)c1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000602649498 479447122 /nfs/dbraw/zinc/44/71/22/479447122.db2.gz JXHLTGGEUNTLTR-UHFFFAOYSA-N 0 1 331.372 2.774 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000593757173 479450109 /nfs/dbraw/zinc/45/01/09/479450109.db2.gz RISJYQVJNSWVKZ-JKSUJKDBSA-N 0 1 348.399 2.925 20 5 EFBDMN CC[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H](C)CO1 ZINC000593808908 479468452 /nfs/dbraw/zinc/46/84/52/479468452.db2.gz SZFRKDYEAJVWRW-BXUZGUMPSA-N 0 1 344.371 2.624 20 5 EFBDMN CC[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)CO1 ZINC000593808911 479468468 /nfs/dbraw/zinc/46/84/68/479468468.db2.gz SZFRKDYEAJVWRW-SMDDNHRTSA-N 0 1 344.371 2.624 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CCN(C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000611772944 479474193 /nfs/dbraw/zinc/47/41/93/479474193.db2.gz SFWLLPPVZRSBBS-OAHLLOKOSA-N 0 1 339.823 2.545 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc(CCCCc2cn[nH]n2)n1 ZINC000589127176 479483228 /nfs/dbraw/zinc/48/32/28/479483228.db2.gz BZQYKIINSCIYHU-UHFFFAOYSA-N 0 1 328.332 2.637 20 5 EFBDMN C[S@](=O)[C@@H]1CCC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602704594 479489723 /nfs/dbraw/zinc/48/97/23/479489723.db2.gz AXYGJJRRXAZZGP-FNIMQGLVSA-N 0 1 337.401 2.515 20 5 EFBDMN CCOC(=O)CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000602711904 479495627 /nfs/dbraw/zinc/49/56/27/479495627.db2.gz SSJGRRGZCRMHTI-UHFFFAOYSA-N 0 1 335.360 2.900 20 5 EFBDMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000575929096 479505256 /nfs/dbraw/zinc/50/52/56/479505256.db2.gz NOTVGGXMMPAMOS-MRXNPFEDSA-N 0 1 333.344 2.669 20 5 EFBDMN CC(C)C[N@H+]1CCCC[C@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000575992134 479518325 /nfs/dbraw/zinc/51/83/25/479518325.db2.gz RENPBJZTUSDOMC-ZDUSSCGKSA-N 0 1 336.392 2.610 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1cnccc1C ZINC000611939341 479527603 /nfs/dbraw/zinc/52/76/03/479527603.db2.gz JFUAQRJCHIAWKH-ZDUSSCGKSA-N 0 1 328.372 2.896 20 5 EFBDMN Cc1ccncc1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611940369 479529093 /nfs/dbraw/zinc/52/90/93/479529093.db2.gz ZFCGDJJTAIHFFF-OLZOCXBDSA-N 0 1 328.372 2.976 20 5 EFBDMN CCCN(Cc1ccc(OC)cc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000604546471 479537863 /nfs/dbraw/zinc/53/78/63/479537863.db2.gz WTOZRLNMKGEEBT-UHFFFAOYSA-N 0 1 332.360 2.687 20 5 EFBDMN COCCN(Cc1ccc(C)cc1C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000604546312 479538166 /nfs/dbraw/zinc/53/81/66/479538166.db2.gz NLFKBLRDRLKDIJ-UHFFFAOYSA-N 0 1 346.387 2.532 20 5 EFBDMN CCN(CCC(F)(F)F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612065639 479569488 /nfs/dbraw/zinc/56/94/88/479569488.db2.gz ZBBSFVRRTFLFTN-LLVKDONJSA-N 0 1 336.310 2.609 20 5 EFBDMN CO[C@@]1(C(F)(F)F)CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000615141345 479614295 /nfs/dbraw/zinc/61/42/95/479614295.db2.gz QAYHUZODDXSOKT-ZDUSSCGKSA-N 0 1 334.294 2.844 20 5 EFBDMN CC(C)c1ccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597204676 479619658 /nfs/dbraw/zinc/61/96/58/479619658.db2.gz CTDBZZVWTBBAMD-ZBFHGGJFSA-N 0 1 331.416 2.819 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCc4n[nH]nc4C3)o2)c1 ZINC000597250021 479644240 /nfs/dbraw/zinc/64/42/40/479644240.db2.gz QJWVLRSSYZLGRX-UHFFFAOYSA-N 0 1 325.328 2.531 20 5 EFBDMN Cc1ccc2nc([C@@H]3CCCN3c3c([N+](=O)[O-])ncn3C)[nH]c2c1 ZINC000578989454 479645064 /nfs/dbraw/zinc/64/50/64/479645064.db2.gz RLEAHJRQGBGYRB-ZDUSSCGKSA-N 0 1 326.360 2.855 20 5 EFBDMN Cc1ccc2nc([C@H]3CCCN3c3c([N+](=O)[O-])ncn3C)[nH]c2c1 ZINC000578989453 479645091 /nfs/dbraw/zinc/64/50/91/479645091.db2.gz RLEAHJRQGBGYRB-CYBMUJFWSA-N 0 1 326.360 2.855 20 5 EFBDMN CN(C)c1ccnc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000612347189 479650148 /nfs/dbraw/zinc/65/01/48/479650148.db2.gz VBPGBHZNLBYYKB-UHFFFAOYSA-N 0 1 343.387 2.887 20 5 EFBDMN CC(C)(C)c1ccc(C(=O)N2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000590553160 479658788 /nfs/dbraw/zinc/65/87/88/479658788.db2.gz XRYOIYGCAQRILQ-UHFFFAOYSA-N 0 1 328.372 2.814 20 5 EFBDMN CCO[C@@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000590625707 479671878 /nfs/dbraw/zinc/67/18/78/479671878.db2.gz HEDZZAVPMFDMEA-CQSZACIVSA-N 0 1 344.371 2.626 20 5 EFBDMN Cc1ccc2nc([C@@H]3CCCN(c4c([N+](=O)[O-])ncn4C)C3)[nH]c2c1 ZINC000612451877 479674970 /nfs/dbraw/zinc/67/49/70/479674970.db2.gz AZASXCWCFZGGFL-GFCCVEGCSA-N 0 1 340.387 2.897 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000619639006 479846039 /nfs/dbraw/zinc/84/60/39/479846039.db2.gz WIRLASSVSMZCCE-LBPRGKRZSA-N 0 1 336.392 2.551 20 5 EFBDMN CCc1nc([C@@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)no1 ZINC000613970265 480157679 /nfs/dbraw/zinc/15/76/79/480157679.db2.gz SWAGWRZRFPMUQH-ZDUSSCGKSA-N 0 1 346.343 2.613 20 5 EFBDMN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCOC1 ZINC000609631729 480191422 /nfs/dbraw/zinc/19/14/22/480191422.db2.gz RTBGDFGOVQKASK-GFCCVEGCSA-N 0 1 332.360 2.503 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(CCSc3ccccc3)CC2)cn1 ZINC000609796776 480207739 /nfs/dbraw/zinc/20/77/39/480207739.db2.gz RCRQWPPJIYTWMO-UHFFFAOYSA-N 0 1 344.440 2.904 20 5 EFBDMN CC(C)(C(=O)N1CCN(C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610059945 480233514 /nfs/dbraw/zinc/23/35/14/480233514.db2.gz IOMJEHUSNXEYOD-UHFFFAOYSA-N 0 1 345.443 2.959 20 5 EFBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000610240460 480256472 /nfs/dbraw/zinc/25/64/72/480256472.db2.gz YFKMAJJGMUHWJY-UHFFFAOYSA-N 0 1 344.758 2.983 20 5 EFBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccco1 ZINC000610338127 480282633 /nfs/dbraw/zinc/28/26/33/480282633.db2.gz TUIBXODEAAXQRF-SECBINFHSA-N 0 1 327.300 2.715 20 5 EFBDMN COc1cc(CN(C)CCC2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000129653573 533782581 /nfs/dbraw/zinc/78/25/81/533782581.db2.gz JNUFYGOAOPVGNP-UHFFFAOYSA-N 0 1 338.404 2.861 20 5 EFBDMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160039806 533794063 /nfs/dbraw/zinc/79/40/63/533794063.db2.gz PSQKZRHQUWSDND-OKILXGFUSA-N 0 1 349.431 2.788 20 5 EFBDMN CC(=O)N1CC[C@@H](CN(C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000156337235 519612955 /nfs/dbraw/zinc/61/29/55/519612955.db2.gz DNJSBVAYQZOVIC-LBPRGKRZSA-N 0 1 325.796 2.548 20 5 EFBDMN CC(C)c1csc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000151306216 519854532 /nfs/dbraw/zinc/85/45/32/519854532.db2.gz ILNHDUPODBBPKR-UHFFFAOYSA-N 0 1 345.384 2.981 20 5 EFBDMN Cc1nc(NC2CCN(Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000178020394 534486808 /nfs/dbraw/zinc/48/68/08/534486808.db2.gz AFPILUHPONUDSM-UHFFFAOYSA-N 0 1 327.388 2.770 20 5 EFBDMN CCN(CC)C(=O)CN(C)c1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000181423615 520475197 /nfs/dbraw/zinc/47/51/97/520475197.db2.gz IDPDPRAEKSYSEJ-UHFFFAOYSA-N 0 1 330.388 2.756 20 5 EFBDMN CCS[C@H]1CC[C@H](N(C)C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000178079077 521733074 /nfs/dbraw/zinc/73/30/74/521733074.db2.gz NJHHTRMZIIHQOY-UWVGGRQHSA-N 0 1 326.422 2.627 20 5 EFBDMN COc1cc(CN2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000245784946 522394681 /nfs/dbraw/zinc/39/46/81/522394681.db2.gz VACRZISFYRXOIP-WFASDCNBSA-N 0 1 336.388 2.613 20 5 EFBDMN CC[C@@H](NC(=O)N1CCN2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000176692595 522714239 /nfs/dbraw/zinc/71/42/39/522714239.db2.gz ATKCSZCOMDKLNM-IAGOWNOFSA-N 0 1 346.431 2.926 20 5 EFBDMN C[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC000076827369 522768684 /nfs/dbraw/zinc/76/86/84/522768684.db2.gz KKXIKYJFJZILKD-UHFFFAOYSA-N 0 1 335.404 2.685 20 5 EFBDMN CC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000120218803 522873735 /nfs/dbraw/zinc/87/37/35/522873735.db2.gz XPVQGYWCRMNICM-MRXNPFEDSA-N 0 1 343.383 2.943 20 5 EFBDMN COc1ccc(CNC(=O)CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178650717 524052163 /nfs/dbraw/zinc/05/21/63/524052163.db2.gz SLZSIZHXDGTGNY-CYBMUJFWSA-N 0 1 343.383 2.570 20 5 EFBDMN CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000193336756 534864660 /nfs/dbraw/zinc/86/46/60/534864660.db2.gz KNIKJHQLJSUJAW-GASCZTMLSA-N 0 1 347.415 2.894 20 5 EFBDMN CC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000323675520 534876918 /nfs/dbraw/zinc/87/69/18/534876918.db2.gz GBPQKIZNDBHQNP-UHFFFAOYSA-N 0 1 338.316 2.737 20 5 EFBDMN O=[N+]([O-])c1ccccc1C[C@@H](NCc1nnc2n1CCCC2)C1CC1 ZINC000183865308 534887514 /nfs/dbraw/zinc/88/75/14/534887514.db2.gz NNQIWYQCRSAPGN-OAHLLOKOSA-N 0 1 341.415 2.634 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000192608768 525855694 /nfs/dbraw/zinc/85/56/94/525855694.db2.gz OIELXAWLXOISLZ-STQMWFEESA-N 0 1 328.372 2.976 20 5 EFBDMN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000124509824 525863143 /nfs/dbraw/zinc/86/31/43/525863143.db2.gz QCKKIVFWLRKORY-CJNGLKHVSA-N 0 1 344.371 2.524 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(CCc3ccccc3)CC2)n1 ZINC000120682816 526059972 /nfs/dbraw/zinc/05/99/72/526059972.db2.gz VHZVLKVRNQJEFU-UHFFFAOYSA-N 0 1 326.400 2.663 20 5 EFBDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1csc([N+](=O)[O-])c1 ZINC000174092032 527359355 /nfs/dbraw/zinc/35/93/55/527359355.db2.gz CHDDUXLCTRCSRG-UHFFFAOYSA-N 0 1 346.368 2.828 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]4OCCC[C@@H]4C3)n2)c1 ZINC000152764544 527383553 /nfs/dbraw/zinc/38/35/53/527383553.db2.gz MWQAYZGNDYWNML-HIFRSBDPSA-N 0 1 344.371 2.646 20 5 EFBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000074853636 527393683 /nfs/dbraw/zinc/39/36/83/527393683.db2.gz CTBFHNCEDGAVGC-UHFFFAOYSA-N 0 1 344.352 2.786 20 5 EFBDMN O=C([O-])CC[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000263185673 527600258 /nfs/dbraw/zinc/60/02/58/527600258.db2.gz UTZSPHOOVJCYOD-CQSZACIVSA-N 0 1 336.388 2.941 20 5 EFBDMN CCC[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000132489675 527786056 /nfs/dbraw/zinc/78/60/56/527786056.db2.gz HLBAVPIZZJGHJY-CQSZACIVSA-N 0 1 335.404 2.733 20 5 EFBDMN CC(C)CN(CC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179515124 527937405 /nfs/dbraw/zinc/93/74/05/527937405.db2.gz XEETWFNTPBHGGP-UHFFFAOYSA-N 0 1 331.372 2.798 20 5 EFBDMN CC(C)CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000181555202 527940516 /nfs/dbraw/zinc/94/05/16/527940516.db2.gz CKTVPEZTQCYZMB-UHFFFAOYSA-N 0 1 328.434 2.735 20 5 EFBDMN CCN(CC)C(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245389 528058339 /nfs/dbraw/zinc/05/83/39/528058339.db2.gz DLQLHHCFANCELE-AWEZNQCLSA-N 0 1 349.431 2.695 20 5 EFBDMN CCOc1ccc2nc(SCCn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000173922603 528626518 /nfs/dbraw/zinc/62/65/18/528626518.db2.gz XTWHCWPOYCRAQB-UHFFFAOYSA-N 0 1 333.373 2.859 20 5 EFBDMN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000177885166 528822874 /nfs/dbraw/zinc/82/28/74/528822874.db2.gz SGELDJKKGQABKK-BZNIZROVSA-N 0 1 346.387 2.652 20 5 EFBDMN CCS[C@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000178032641 529230024 /nfs/dbraw/zinc/23/00/24/529230024.db2.gz LTPNYDUSAKPGCZ-STQMWFEESA-N 0 1 334.401 2.875 20 5 EFBDMN CC[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000132403451 529359949 /nfs/dbraw/zinc/35/99/49/529359949.db2.gz AKECTHWYULSKGX-SECBINFHSA-N 0 1 338.751 2.559 20 5 EFBDMN CC(C)Oc1cc(C(=O)N2CCN(C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000412285190 534944168 /nfs/dbraw/zinc/94/41/68/534944168.db2.gz KNUGYRLHCJQQFG-INIZCTEOSA-N 0 1 349.431 2.794 20 5 EFBDMN CCNC(=O)c1ccc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 ZINC000195105096 535436038 /nfs/dbraw/zinc/43/60/38/535436038.db2.gz VYJIMLFDAQUQIX-UHFFFAOYSA-N 0 1 345.355 2.671 20 5 EFBDMN CCN(CCNC(=O)c1cccc([N+](=O)[O-])c1C)CCC(F)(F)F ZINC000427206089 535735846 /nfs/dbraw/zinc/73/58/46/535735846.db2.gz QFFGXDMMEPYPKD-UHFFFAOYSA-N 0 1 347.337 2.907 20 5 EFBDMN CCN(C)[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266120823 535763176 /nfs/dbraw/zinc/76/31/76/535763176.db2.gz IVAMMWWHWFLUMD-SFHVURJKSA-N 0 1 341.411 2.947 20 5 EFBDMN CCc1[nH]nc(C(=O)N(Cc2ccco2)CC(F)(F)F)c1[N+](=O)[O-] ZINC000192472964 535998129 /nfs/dbraw/zinc/99/81/29/535998129.db2.gz XBLGRMNUQPBDDA-UHFFFAOYSA-N 0 1 346.265 2.678 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000348863887 535998671 /nfs/dbraw/zinc/99/86/71/535998671.db2.gz CRTUYIAUJJGCPA-CYBMUJFWSA-N 0 1 328.372 2.900 20 5 EFBDMN CC[C@H](CC(F)(F)F)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000356049139 536082599 /nfs/dbraw/zinc/08/25/99/536082599.db2.gz AVTLGMBJORNBKI-SSDOTTSWSA-N 0 1 330.266 2.932 20 5 EFBDMN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000360171923 536359697 /nfs/dbraw/zinc/35/96/97/536359697.db2.gz GFVXVPLADKGTMR-GDBMZVCRSA-N 0 1 347.346 2.537 20 5 EFBDMN CN(Cc1ccccc1)C1CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000343619528 536480592 /nfs/dbraw/zinc/48/05/92/536480592.db2.gz DCJNGSZVYCWVNA-UHFFFAOYSA-N 0 1 332.791 2.964 20 5 EFBDMN COC(=O)[C@@]1(C)CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000337419584 536572631 /nfs/dbraw/zinc/57/26/31/536572631.db2.gz ARQGJYLAWGLKJQ-BONVTDFDSA-N 0 1 326.780 2.879 20 5 EFBDMN CO[C@](C)([C@@H](C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000411948613 536833889 /nfs/dbraw/zinc/83/38/89/536833889.db2.gz NQMSSOYTEBLULZ-PIGZYNQJSA-N 0 1 346.387 2.938 20 5 EFBDMN CCN1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000754381626 575427508 /nfs/dbraw/zinc/42/75/08/575427508.db2.gz HAHWWHBRVGSEAM-SNVBAGLBSA-N 0 1 326.784 2.806 20 5 EFBDMN C[C@@H](N[C@H](CCO)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000754397879 575431917 /nfs/dbraw/zinc/43/19/17/575431917.db2.gz XTNZWJUPWNNVRF-BXUZGUMPSA-N 0 1 349.412 2.697 20 5 EFBDMN CN(C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1F ZINC000754873034 575507771 /nfs/dbraw/zinc/50/77/71/575507771.db2.gz ROPOQPGTLCIGTG-UHFFFAOYSA-N 0 1 332.335 2.630 20 5 EFBDMN O=C(OCc1ccn(-c2c(F)cccc2F)n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000756624982 575769534 /nfs/dbraw/zinc/76/95/34/575769534.db2.gz ISTADRMZACEEQX-UHFFFAOYSA-N 0 1 348.265 2.744 20 5 EFBDMN COC(C)(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000758815710 575877846 /nfs/dbraw/zinc/87/78/46/575877846.db2.gz LOKFRYHGYHMSKC-SNVBAGLBSA-N 0 1 343.811 2.932 20 5 EFBDMN COC(C)(C)CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000758815710 575877847 /nfs/dbraw/zinc/87/78/47/575877847.db2.gz LOKFRYHGYHMSKC-SNVBAGLBSA-N 0 1 343.811 2.932 20 5 EFBDMN O=C1N(CN2CC[C@H](C3CC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000763333327 576373186 /nfs/dbraw/zinc/37/31/86/576373186.db2.gz RWFQTODIIMCRES-AWEZNQCLSA-N 0 1 330.388 2.526 20 5 EFBDMN N=C(NOCc1c(F)cccc1[N+](=O)[O-])[C@@H]1COc2ccccc2O1 ZINC000764578690 576474523 /nfs/dbraw/zinc/47/45/23/576474523.db2.gz PPRNIWUVBRFJDT-HNNXBMFYSA-N 0 1 347.302 2.572 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(-n2cncn2)nc1 ZINC000764954114 576528204 /nfs/dbraw/zinc/52/82/04/576528204.db2.gz BRBJFUIHZSBBIF-CYBMUJFWSA-N 0 1 338.371 2.730 20 5 EFBDMN Cc1c([C@H](C)NCc2ccc(-n3cncn3)nc2)cccc1[N+](=O)[O-] ZINC000764959010 576528968 /nfs/dbraw/zinc/52/89/68/576528968.db2.gz YWGPKPRYHYGAHD-ZDUSSCGKSA-N 0 1 338.371 2.730 20 5 EFBDMN O=Cc1[nH]nc2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000766179795 577117535 /nfs/dbraw/zinc/11/75/35/577117535.db2.gz ZVBFCOVTTBPBRS-UHFFFAOYSA-N 0 1 325.280 2.641 20 5 EFBDMN O=Cc1[nH]nc2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)ccc12 ZINC000766186913 577118935 /nfs/dbraw/zinc/11/89/35/577118935.db2.gz GNINURMCTJUKEO-UHFFFAOYSA-N 0 1 325.280 2.641 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766557574 577166607 /nfs/dbraw/zinc/16/66/07/577166607.db2.gz VUDIGJROYNGECH-MNOVXSKESA-N 0 1 325.796 2.803 20 5 EFBDMN C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000766578612 577168210 /nfs/dbraw/zinc/16/82/10/577168210.db2.gz WVLGQHLIFKILEH-ZCFIWIBFSA-N 0 1 346.714 2.867 20 5 EFBDMN Cn1cc([C@H](O)C[C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000766947691 577189269 /nfs/dbraw/zinc/18/92/69/577189269.db2.gz ZWQFSDIEXANCOL-RHSMWYFYSA-N 0 1 348.378 2.556 20 5 EFBDMN O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nnc[nH]2)c1 ZINC000767808760 577235676 /nfs/dbraw/zinc/23/56/76/577235676.db2.gz WSRNYBKRENMFAX-UHFFFAOYSA-N 0 1 342.286 2.876 20 5 EFBDMN O=C(CNCc1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc21 ZINC000725851385 577250668 /nfs/dbraw/zinc/25/06/68/577250668.db2.gz QXXVMYDPBHMPFB-UHFFFAOYSA-N 0 1 336.351 2.871 20 5 EFBDMN C[C@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000768815468 577305491 /nfs/dbraw/zinc/30/54/91/577305491.db2.gz ILGQTVBHQPMTGP-KWQFWETISA-N 0 1 342.398 2.851 20 5 EFBDMN CC(C)(C)[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000768867401 577311625 /nfs/dbraw/zinc/31/16/25/577311625.db2.gz WTNZYLGSCRDHHV-MRVPVSSYSA-N 0 1 346.352 2.912 20 5 EFBDMN Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)c1O ZINC000768868500 577311809 /nfs/dbraw/zinc/31/18/09/577311809.db2.gz OIVMQYOGUGQRFX-UHFFFAOYSA-N 0 1 328.371 2.780 20 5 EFBDMN CCN(CCc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000769039842 577326716 /nfs/dbraw/zinc/32/67/16/577326716.db2.gz ZDRJBEQMYUGOSD-UHFFFAOYSA-N 0 1 343.383 2.826 20 5 EFBDMN CN1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000769446066 577362864 /nfs/dbraw/zinc/36/28/64/577362864.db2.gz LETXEDVYAIAWSN-UHFFFAOYSA-N 0 1 342.237 2.883 20 5 EFBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000769631446 577376234 /nfs/dbraw/zinc/37/62/34/577376234.db2.gz SZKRNQYQUNEMEM-JTQLQIEISA-N 0 1 348.808 2.867 20 5 EFBDMN Cc1cc([C@@H]2CCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])no1 ZINC000771248480 581192748 /nfs/dbraw/zinc/19/27/48/581192748.db2.gz DCZNILOHOQDQFM-NSHDSACASA-N 0 1 333.348 2.715 20 5 EFBDMN O=C(OCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnc[nH]2)cc1 ZINC000771531415 581221165 /nfs/dbraw/zinc/22/11/65/581221165.db2.gz PTRXKQASOQOEDL-UHFFFAOYSA-N 0 1 338.323 2.779 20 5 EFBDMN CCc1cc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)n[nH]1 ZINC000774528593 581493369 /nfs/dbraw/zinc/49/33/69/581493369.db2.gz GIXLAYQZRDGGRY-UHFFFAOYSA-N 0 1 343.387 2.728 20 5 EFBDMN COC1(C)CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000774639454 581496098 /nfs/dbraw/zinc/49/60/98/581496098.db2.gz LHTMGIMPGNVDCD-UHFFFAOYSA-N 0 1 330.388 2.917 20 5 EFBDMN O=C([O-])C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000821511395 598120029 /nfs/dbraw/zinc/12/00/29/598120029.db2.gz JTZWIEVZHVENPK-UHFFFAOYSA-N 0 1 343.177 2.654 20 5 EFBDMN CC[N@H+]1CCCC[C@@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737115231 600239820 /nfs/dbraw/zinc/23/98/20/600239820.db2.gz JFASHZFZYRTZNQ-IUCKJTJTSA-N 0 1 333.388 2.979 20 5 EFBDMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000828433001 601937137 /nfs/dbraw/zinc/93/71/37/601937137.db2.gz QCVXLXFAJHWJHS-GMILVAEPSA-N 0 1 331.372 2.587 20 5 EFBDMN Cc1nn(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c2ccc([N+](=O)[O-])cc12 ZINC000833016601 602190404 /nfs/dbraw/zinc/19/04/04/602190404.db2.gz BHKOOJHGJOGBJQ-LBPRGKRZSA-N 0 1 332.360 2.540 20 5 EFBDMN Cc1ccc(CN(C)Cc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826288241 608525005 /nfs/dbraw/zinc/52/50/05/608525005.db2.gz XFIVHEAHPHZQJO-UHFFFAOYSA-N 0 1 338.371 2.715 20 5 EFBDMN O=C(Cc1cccc([N+](=O)[O-])c1)OC[C@H]1CCN1Cc1ccccc1 ZINC000851468618 1251017623 /nfs/dbraw/zinc/01/76/23/1251017623.db2.gz MTYBNQXCRVOUFI-GOSISDBHSA-N 0 1 340.379 2.955 20 5 EFBDMN COc1ccc(CNCc2cnn(CC3CCC3)c2)cc1[N+](=O)[O-] ZINC000921611498 1257540217 /nfs/dbraw/zinc/54/02/17/1257540217.db2.gz HTNGJYHSOPBSNP-UHFFFAOYSA-N 0 1 330.388 2.890 20 5 EFBDMN C[C@@H](NCc1cnc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000922543244 1266237541 /nfs/dbraw/zinc/23/75/41/1266237541.db2.gz OOXNQYMMLIYFBH-CYBMUJFWSA-N 0 1 327.388 2.836 20 5 EFBDMN O=C(NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)C1(C2CC2)CC1 ZINC001003101022 1264595257 /nfs/dbraw/zinc/59/52/57/1264595257.db2.gz BFVVVJKVVDHLHM-UHFFFAOYSA-N 0 1 343.427 2.866 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1nnc[nH]1 ZINC000821995638 1265037525 /nfs/dbraw/zinc/03/75/25/1265037525.db2.gz CCWKLSFJNMGPMR-AWEZNQCLSA-N 0 1 331.376 2.837 20 5 EFBDMN COc1ccc(-c2ccc(CNCC3OCCCO3)o2)c([N+](=O)[O-])c1 ZINC000922275143 1265212365 /nfs/dbraw/zinc/21/23/65/1265212365.db2.gz CIJLKIMCJVXQLN-UHFFFAOYSA-N 0 1 348.355 2.716 20 5 EFBDMN COc1cccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c1OC(F)F ZINC000734969723 1267162486 /nfs/dbraw/zinc/16/24/86/1267162486.db2.gz BMRPYPMHUXVVEA-UHFFFAOYSA-N 0 1 342.254 2.890 20 5 EFBDMN C[C@@H]1CCC[C@H](C)[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000735080115 1267199047 /nfs/dbraw/zinc/19/90/47/1267199047.db2.gz FLFQAHSRZBUFOE-IWIIMEHWSA-N 0 1 330.381 2.837 20 5 EFBDMN CC1(C)CN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCCO1 ZINC000735298927 1267263618 /nfs/dbraw/zinc/26/36/18/1267263618.db2.gz VKFZDXUJMGGVQX-UHFFFAOYSA-N 0 1 330.388 2.917 20 5 EFBDMN O=C(CC1(N2CCOCC2)CCCC1)OCc1ccc([N+](=O)[O-])cc1 ZINC000735991302 1267481728 /nfs/dbraw/zinc/48/17/28/1267481728.db2.gz PLRFTTJGYDHYJP-UHFFFAOYSA-N 0 1 348.399 2.673 20 5 EFBDMN CN(C(=O)CC1CC1)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005042108 1268436321 /nfs/dbraw/zinc/43/63/21/1268436321.db2.gz XTJIBHAQUIDJON-UHFFFAOYSA-N 0 1 331.416 2.818 20 5 EFBDMN CN(C(=O)c1ccco1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005051546 1268464625 /nfs/dbraw/zinc/46/46/25/1268464625.db2.gz RAANNXZHKMFECT-UHFFFAOYSA-N 0 1 343.383 2.924 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000741017257 1269249796 /nfs/dbraw/zinc/24/97/96/1269249796.db2.gz MJVVJBUMDSTDSY-AVGNSLFASA-N 0 1 336.388 2.908 20 5 EFBDMN CN(C(=O)C1CC=CC1)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005199325 1269425648 /nfs/dbraw/zinc/42/56/48/1269425648.db2.gz VZILMDKMWVHDJT-UHFFFAOYSA-N 0 1 343.427 2.984 20 5 EFBDMN O=[N+]([O-])c1cccc(Br)c1CN[C@@H](CCO)C1CC1 ZINC000741258904 1269444531 /nfs/dbraw/zinc/44/45/31/1269444531.db2.gz QVVBKXXWRVLVDB-LBPRGKRZSA-N 0 1 329.194 2.608 20 5 EFBDMN O=[N+]([O-])c1ccc(Br)cc1N1CCN(CC2CC2)CC1 ZINC000741751104 1269686935 /nfs/dbraw/zinc/68/69/35/1269686935.db2.gz QSHPIKNTUSFQTM-UHFFFAOYSA-N 0 1 340.221 2.889 20 5 EFBDMN Cc1cc(C(=O)NC[C@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C2)co1 ZINC001086069658 1269766840 /nfs/dbraw/zinc/76/68/40/1269766840.db2.gz FCHIFYGUAUMFSF-VDISTLRHSA-N 0 1 349.412 2.856 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000016101142 1270021547 /nfs/dbraw/zinc/02/15/47/1270021547.db2.gz SZACNROYFMFMBY-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN CN(C)c1ccccc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000743836034 1270777443 /nfs/dbraw/zinc/77/74/43/1270777443.db2.gz OBROFSCLRGOZQS-UHFFFAOYSA-N 0 1 340.427 2.983 20 5 EFBDMN Cc1c[nH]cc1C(=O)NC[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001086271388 1270781783 /nfs/dbraw/zinc/78/17/83/1270781783.db2.gz WNWZIPMFRJPXES-BJHJDKERSA-N 0 1 348.428 2.591 20 5 EFBDMN Cc1occc1C(=O)NC[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001086303622 1270909913 /nfs/dbraw/zinc/90/99/13/1270909913.db2.gz OTHQSEZHZPGXBD-AULYBMBSSA-N 0 1 349.412 2.856 20 5 EFBDMN CC[C@H]1C[C@@H](C)CN1Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000744441434 1271049652 /nfs/dbraw/zinc/04/96/52/1271049652.db2.gz PKRALQSNDXBTPS-HIFRSBDPSA-N 0 1 344.415 2.934 20 5 EFBDMN O=[N+]([O-])C[C@H]1CC[C@H](NC2(c3ccccc3C(F)(F)F)COC2)C1 ZINC001168976710 1272547338 /nfs/dbraw/zinc/54/73/38/1272547338.db2.gz FPPPZGDYPLHNGK-RYUDHWBXSA-N 0 1 344.333 2.966 20 5 EFBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CCc3ncc(Br)cc3C2)C1 ZINC001169034517 1272596547 /nfs/dbraw/zinc/59/65/47/1272596547.db2.gz GYCFLPMZCZGWAP-GWCFXTLKSA-N 0 1 340.221 2.648 20 5 EFBDMN COc1ccc2c(c1)c1c(n2C)CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169035725 1272599236 /nfs/dbraw/zinc/59/92/36/1272599236.db2.gz LMDKPAVMFTZGNY-KGLIPLIRSA-N 0 1 343.427 2.990 20 5 EFBDMN COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169035728 1272601447 /nfs/dbraw/zinc/60/14/47/1272601447.db2.gz LMDKPAVMFTZGNY-UONOGXRCSA-N 0 1 343.427 2.990 20 5 EFBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCc3c(cnn3-c3ccccc3)C2)C1 ZINC001169037955 1272604790 /nfs/dbraw/zinc/60/47/90/1272604790.db2.gz UIPISJRRTVQXRA-RHSMWYFYSA-N 0 1 326.400 2.676 20 5 EFBDMN Cc1ccc2c(n1)N(CC1CC1)CCN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169026340 1272622759 /nfs/dbraw/zinc/62/27/59/1272622759.db2.gz LAZWLMYFSSJXLE-FUHWJXTLSA-N 0 1 344.459 2.867 20 5 EFBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N(Cc2cccnc2)Cc2cccnc2)C1 ZINC001169026405 1272623840 /nfs/dbraw/zinc/62/38/40/1272623840.db2.gz LSLGWGPKGVPJBM-QAPCUYQASA-N 0 1 326.400 2.924 20 5 EFBDMN COc1cc(COC(=O)c2ccc3cncn3c2)c([N+](=O)[O-])cc1F ZINC000792552519 1278847791 /nfs/dbraw/zinc/84/77/91/1278847791.db2.gz LKEZVNRERICHKO-UHFFFAOYSA-N 0 1 345.286 2.747 20 5 EFBDMN CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC001109629092 1274493697 /nfs/dbraw/zinc/49/36/97/1274493697.db2.gz POXXNAPTCFXQDI-UHFFFAOYSA-N 0 1 343.387 2.770 20 5 EFBDMN O=C(CC1(N2CCOCC2)CCCC1)OCc1ccccc1[N+](=O)[O-] ZINC000786096663 1275294725 /nfs/dbraw/zinc/29/47/25/1275294725.db2.gz NVBPXFNKXURTHA-UHFFFAOYSA-N 0 1 348.399 2.673 20 5 EFBDMN O=C(OCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C1CCCC1 ZINC000786884179 1275583073 /nfs/dbraw/zinc/58/30/73/1275583073.db2.gz PYLYOVFZXVZCIY-KRWDZBQOSA-N 0 1 348.399 2.924 20 5 EFBDMN COc1ccc(C[C@@H](C)N[C@H](C)c2ncc(F)cn2)c([N+](=O)[O-])c1 ZINC001170313333 1279008606 /nfs/dbraw/zinc/00/86/06/1279008606.db2.gz LLGBJODYMNIYBS-GHMZBOCLSA-N 0 1 334.351 2.814 20 5 EFBDMN COc1ccc(C[C@H](C)NC2(c3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC001170323872 1279016642 /nfs/dbraw/zinc/01/66/42/1279016642.db2.gz NACQTPHHTMKIEU-LBPRGKRZSA-N 0 1 328.372 2.603 20 5 EFBDMN CC(C)Oc1ncccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818961043 1276550979 /nfs/dbraw/zinc/55/09/79/1276550979.db2.gz NLSNKQGAVINEBC-MRXNPFEDSA-N 0 1 331.372 2.600 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)c1c(F)cccc1F ZINC000818967930 1276572928 /nfs/dbraw/zinc/57/29/28/1276572928.db2.gz FOVYAEVUSAWQDN-AWEZNQCLSA-N 0 1 338.310 2.705 20 5 EFBDMN Cc1occc1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814995732 1287238486 /nfs/dbraw/zinc/23/84/86/1287238486.db2.gz XZJDFIZEDAFKKW-UHFFFAOYSA-N 0 1 348.739 2.767 20 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1287314736 /nfs/dbraw/zinc/31/47/36/1287314736.db2.gz OMAAJVXHTWAJJY-UHFFFAOYSA-N 0 1 325.109 2.720 20 5 EFBDMN COc1ccc(C[C@@H](C)N(C)Cc2cc(C)nn2C)c([N+](=O)[O-])c1 ZINC001170347889 1279054670 /nfs/dbraw/zinc/05/46/70/1279054670.db2.gz SUWKQXHEBSNHTN-CYBMUJFWSA-N 0 1 332.404 2.708 20 5 EFBDMN CC(C)OC(=O)Nc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c(Cl)c1 ZINC000844929351 1279348337 /nfs/dbraw/zinc/34/83/37/1279348337.db2.gz HSYRZKMLUXHIPO-MWLCHTKSSA-N 0 1 342.735 2.868 20 5 EFBDMN COc1ccc(OC(=O)c2ccc(-c3nnc[nH]3)cc2)c([N+](=O)[O-])c1 ZINC000793124624 1279372459 /nfs/dbraw/zinc/37/24/59/1279372459.db2.gz MBVXQYYMRQADPD-UHFFFAOYSA-N 0 1 340.295 2.608 20 5 EFBDMN Cc1nn(CN2CCOC[C@@H](C3CCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000793743533 1279859022 /nfs/dbraw/zinc/85/90/22/1279859022.db2.gz FIFBTRGDCWLCLC-HNNXBMFYSA-N 0 1 344.415 2.959 20 5 EFBDMN O=[N+]([O-])c1ccc2c(cnn2CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000793744017 1279859401 /nfs/dbraw/zinc/85/94/01/1279859401.db2.gz PFXOIKLGVRCUAT-OAHLLOKOSA-N 0 1 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C[C@H](NCc1cccnc1-n1cccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558856 1287596505 /nfs/dbraw/zinc/59/65/05/1287596505.db2.gz QBQAREICXGCXFJ-LBPRGKRZSA-N 0 1 338.371 2.609 20 5 EFBDMN O=c1[nH]cnc(Nc2ccc(C=C[N+](=O)[O-])cc2)c1Br ZINC001175900595 1287603136 /nfs/dbraw/zinc/60/31/36/1287603136.db2.gz BIGVWYDMSNTXIW-AATRIKPKSA-N 0 1 337.133 2.936 20 5 EFBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1cc2ccsc2[nH]1 ZINC001132096443 1282918404 /nfs/dbraw/zinc/91/84/04/1282918404.db2.gz LTNKOPHOMRCWKL-UHFFFAOYSA-N 0 1 344.396 2.657 20 5 EFBDMN C[C@H](NCc1ccc([S@](C)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596015 1287623808 /nfs/dbraw/zinc/62/38/08/1287623808.db2.gz IEVKSJTXLNDNMY-RULNZOCKSA-N 0 1 333.413 2.765 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](c2nnc[nH]2)c2cccnc2)c1 ZINC000815595895 1287623986 /nfs/dbraw/zinc/62/39/86/1287623986.db2.gz FNLDZRLFYWPVIZ-AWEZNQCLSA-N 0 1 344.762 2.641 20 5 EFBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1ccoc1C1CC1 ZINC001132934859 1284461826 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0 1 334.376 2.749 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)o1 ZINC000878291892 1291605724 /nfs/dbraw/zinc/60/57/24/1291605724.db2.gz RDFGJBDSPBOFKC-CHWSQXEVSA-N 0 1 344.371 2.503 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@@H]([C@@H]3CCOC3)C2)o1 ZINC000878291892 1291605727 /nfs/dbraw/zinc/60/57/27/1291605727.db2.gz RDFGJBDSPBOFKC-CHWSQXEVSA-N 0 1 344.371 2.503 20 5 EFBDMN Cc1ccc(-c2ccc(N3CC[C@@H](N)C(F)(F)C3)nn2)cc1[N+](=O)[O-] ZINC001166959018 1312872151 /nfs/dbraw/zinc/87/21/51/1312872151.db2.gz PDJAMYSQGYHOTN-CQSZACIVSA-N 0 1 349.341 2.533 20 5 EFBDMN C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795943025 1291738423 /nfs/dbraw/zinc/73/84/23/1291738423.db2.gz MEEFWCNEYHDMBS-HTQZYQBOSA-N 0 1 336.772 2.854 20 5 EFBDMN C[C@H](O)CCCC(=O)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC001233501005 1312944748 /nfs/dbraw/zinc/94/47/48/1312944748.db2.gz WPKYEHWMGVBHPC-ZETCQYMHSA-N 0 1 327.724 2.581 20 5 EFBDMN 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ZINC001228606719 1311969050 /nfs/dbraw/zinc/96/90/50/1311969050.db2.gz RHQJBMOTIKHLFG-NSHDSACASA-N 0 1 328.328 2.819 20 5 EFBDMN O=c1[nH]c(C2CC2)nc(O[C@@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC001228604632 1311969364 /nfs/dbraw/zinc/96/93/64/1311969364.db2.gz WARJJLMLFAPEEN-CYBMUJFWSA-N 0 1 328.328 2.893 20 5 EFBDMN C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228657752 1311976218 /nfs/dbraw/zinc/97/62/18/1311976218.db2.gz QNMVQRSSKVHAQX-BBRMVZONSA-N 0 1 328.372 2.674 20 5 EFBDMN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228657752 1311976222 /nfs/dbraw/zinc/97/62/22/1311976222.db2.gz QNMVQRSSKVHAQX-BBRMVZONSA-N 0 1 328.372 2.674 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)COc2ccccc2)cc1O ZINC001228811181 1312003698 /nfs/dbraw/zinc/00/36/98/1312003698.db2.gz NOYJGCHOKJWGHQ-NSHDSACASA-N 0 1 347.323 2.933 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C)c2ncccc2F)cc1O ZINC001228813632 1312003959 /nfs/dbraw/zinc/00/39/59/1312003959.db2.gz DVZRDVHYZIJLIH-MRVPVSSYSA-N 0 1 336.275 2.761 20 5 EFBDMN C[C@@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])c1cnccn1 ZINC001228860324 1312010777 /nfs/dbraw/zinc/01/07/77/1312010777.db2.gz TXMYIVQPBYAHCI-ZCFIWIBFSA-N 0 1 330.222 2.644 20 5 EFBDMN C[C@@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])c1ncccn1 ZINC001228862361 1312011649 /nfs/dbraw/zinc/01/16/49/1312011649.db2.gz MRUZDXXOECTBCB-ZCFIWIBFSA-N 0 1 330.222 2.644 20 5 EFBDMN C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-])C2 ZINC001228861568 1312011829 /nfs/dbraw/zinc/01/18/29/1312011829.db2.gz FHUOUMRODLVMBN-BRPSZJMVSA-N 0 1 347.293 2.718 20 5 EFBDMN C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C2 ZINC001228861568 1312011831 /nfs/dbraw/zinc/01/18/31/1312011831.db2.gz FHUOUMRODLVMBN-BRPSZJMVSA-N 0 1 347.293 2.718 20 5 EFBDMN C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C2 ZINC001228861568 1312011833 /nfs/dbraw/zinc/01/18/33/1312011833.db2.gz FHUOUMRODLVMBN-BRPSZJMVSA-N 0 1 347.293 2.718 20 5 EFBDMN CO[C@@H]1CCN(CCOc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228935847 1312023428 /nfs/dbraw/zinc/02/34/28/1312023428.db2.gz JBPCERXYRRTSHZ-SNVBAGLBSA-N 0 1 334.294 2.713 20 5 EFBDMN CN1CCC[C@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228939614 1312023906 /nfs/dbraw/zinc/02/39/06/1312023906.db2.gz VTFOGOLXQKRCTC-QMMMGPOBSA-N 0 1 333.157 2.969 20 5 EFBDMN CCN1CCC[C@@H](Oc2c(C(=O)OC)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001228965764 1312028264 /nfs/dbraw/zinc/02/82/64/1312028264.db2.gz FOPHGRHSOCQDSY-LLVKDONJSA-N 0 1 342.779 2.898 20 5 EFBDMN COCCCN1CCC(Oc2c(C(C)=O)cccc2[N+](=O)[O-])CC1 ZINC001228978139 1312031076 /nfs/dbraw/zinc/03/10/76/1312031076.db2.gz UPWNTDWOLHQKCP-UHFFFAOYSA-N 0 1 336.388 2.677 20 5 EFBDMN O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C1(CF)CCC1 ZINC001229288767 1312072780 /nfs/dbraw/zinc/07/27/80/1312072780.db2.gz CCAYMBPSSTWLDR-UHFFFAOYSA-N 0 1 349.406 2.815 20 5 EFBDMN Cc1nc(O[C@H](C(=O)c2ccco2)c2ccco2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229380831 1312086070 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340.295 2.926 20 5 EFBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC[C@H]1CC[C@]2(CCCCO2)O1 ZINC001230602285 1312279703 /nfs/dbraw/zinc/27/97/03/1312279703.db2.gz YWNXVKQVLNCAFR-WBMJQRKESA-N 0 1 333.344 2.926 20 5 EFBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC[C@H]1COc2cscc2O1 ZINC001230601161 1312279904 /nfs/dbraw/zinc/27/99/04/1312279904.db2.gz KXPMWMFGDAERHQ-VIFPVBQESA-N 0 1 333.325 2.751 20 5 EFBDMN COC(=O)[C@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001230600915 1312280095 /nfs/dbraw/zinc/28/00/95/1312280095.db2.gz JXGSECBCCHFKSZ-OAHLLOKOSA-N 0 1 345.286 2.903 20 5 EFBDMN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C2 ZINC001231071883 1312423044 /nfs/dbraw/zinc/42/30/44/1312423044.db2.gz OENVRHMAIQVJAD-MYJAWHEDSA-N 0 1 342.783 2.526 20 5 EFBDMN Cc1nc(O[C@H]2CN3CCC2CC3)c([N+](=O)[O-])cc1Br ZINC001231120739 1312436333 /nfs/dbraw/zinc/43/63/33/1312436333.db2.gz UUWVRHVYMDTUDE-LBPRGKRZSA-N 0 1 342.193 2.534 20 5 EFBDMN CN(CCCNC(=O)Cc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC001231242813 1312463094 /nfs/dbraw/zinc/46/30/94/1312463094.db2.gz IYXNTGVRWKDRLX-UHFFFAOYSA-N 0 1 347.440 2.837 20 5 EFBDMN Cc1ccc(N2CCC(Oc3nc(C)cc(O)c3[N+](=O)[O-])CC2)nc1 ZINC001231261632 1312466524 /nfs/dbraw/zinc/46/65/24/1312466524.db2.gz BTCBOGBSQWNQDS-UHFFFAOYSA-N 0 1 344.371 2.755 20 5 EFBDMN COc1cccc2c1[C@@H](Oc1nc(C)cc(O)c1[N+](=O)[O-])CCO2 ZINC001231264425 1312467880 /nfs/dbraw/zinc/46/78/80/1312467880.db2.gz QSVLWUKRGSPFRL-ZDUSSCGKSA-N 0 1 332.312 2.915 20 5 EFBDMN CN(CCCNC(=O)c1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001231397928 1312487629 /nfs/dbraw/zinc/48/76/29/1312487629.db2.gz OIDYNCLBKVJMCZ-UHFFFAOYSA-N 0 1 345.374 2.986 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@H]2CCCN(CC)C2=O)cc1[N+](=O)[O-] ZINC000903391540 1312627077 /nfs/dbraw/zinc/62/70/77/1312627077.db2.gz CCCPVNQONJMBAY-JSGCOSHPSA-N 0 1 335.404 2.655 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1Nc1nc[nH]c(=O)c1Br ZINC001211287956 1314469658 /nfs/dbraw/zinc/46/96/58/1314469658.db2.gz ZUHIIRUPDNKHLT-UHFFFAOYSA-N 0 1 325.122 2.905 20 5 EFBDMN CN1CCN(c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001318211577 1328528932 /nfs/dbraw/zinc/52/89/32/1328528932.db2.gz NKZNNIKILNTKOB-UHFFFAOYSA-N 0 1 340.383 2.599 20 5 EFBDMN CN1CCN(c2ccc(Nc3c(F)ccc([N+](=O)[O-])c3F)nc2)CC1 ZINC001215285293 1314808940 /nfs/dbraw/zinc/80/89/40/1314808940.db2.gz IHTQTYQHRHXJFZ-UHFFFAOYSA-N 0 1 349.341 2.763 20 5 EFBDMN CCS(=O)(=O)c1ccc(O)c(Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC001216481849 1314961034 /nfs/dbraw/zinc/96/10/34/1314961034.db2.gz GYVVLVLOVDFFRT-UHFFFAOYSA-N 0 1 340.332 2.977 20 5 EFBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCCN2CC2CC2)n1 ZINC001249073621 1315016396 /nfs/dbraw/zinc/01/63/96/1315016396.db2.gz RXIRZHXIBWOXHP-NSHDSACASA-N 0 1 333.323 2.726 20 5 EFBDMN Cn1ncc2cc(-c3noc(-c4cc(O)cc([N+](=O)[O-])c4)n3)ccc21 ZINC001216925100 1315023101 /nfs/dbraw/zinc/02/31/01/1315023101.db2.gz JVHOJRFOUYVPTN-UHFFFAOYSA-N 0 1 337.295 2.904 20 5 EFBDMN Cc1ncc([N+](=O)[O-])cc1Nc1cccc(N2CCN(C)CC2)c1 ZINC001249546436 1315094115 /nfs/dbraw/zinc/09/41/15/1315094115.db2.gz STIIXKFTXPTALC-UHFFFAOYSA-N 0 1 327.388 2.794 20 5 EFBDMN O=[N+]([O-])c1cc2[n-]c(O[C@@H]3C[NH2+]CCC[C@@H]3F)nc2cc1Cl ZINC001217981119 1315128974 /nfs/dbraw/zinc/12/89/74/1315128974.db2.gz OLCITZHKTLFKBW-QPUJVOFHSA-N 0 1 328.731 2.593 20 5 EFBDMN O=[N+]([O-])c1cc2nc(O[C@@H]3C[NH2+]CCC[C@@H]3F)[n-]c2cc1Cl ZINC001217981119 1315128976 /nfs/dbraw/zinc/12/89/76/1315128976.db2.gz OLCITZHKTLFKBW-QPUJVOFHSA-N 0 1 328.731 2.593 20 5 EFBDMN O=[N+]([O-])c1cc2nc(O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)[n-]c2cc1Cl ZINC001218146507 1315154765 /nfs/dbraw/zinc/15/47/65/1315154765.db2.gz DKXZIHWOEOZZSC-TVLCNXBWSA-N 0 1 336.779 2.891 20 5 EFBDMN C[C@H]1CC[C@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C[NH2+]1 ZINC001218398708 1315189762 /nfs/dbraw/zinc/18/97/62/1315189762.db2.gz MGQQFUVEOKOSRV-QWRGUYRKSA-N 0 1 341.363 2.877 20 5 EFBDMN O=[N+]([O-])c1cc2[n-]c(O[C@@H]3C[NH2+]CCC3(F)F)nc2cc1Cl ZINC001218453552 1315199124 /nfs/dbraw/zinc/19/91/24/1315199124.db2.gz XGUZNDFAJGHSHO-SNVBAGLBSA-N 0 1 332.694 2.501 20 5 EFBDMN O=[N+]([O-])c1cc2nc(O[C@@H]3C[NH2+]CCC3(F)F)[n-]c2cc1Cl ZINC001218453552 1315199126 /nfs/dbraw/zinc/19/91/26/1315199126.db2.gz XGUZNDFAJGHSHO-SNVBAGLBSA-N 0 1 332.694 2.501 20 5 EFBDMN CN(C)Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1F ZINC000749155303 1315201642 /nfs/dbraw/zinc/20/16/42/1315201642.db2.gz YOIYKNSPRIICPU-UHFFFAOYSA-N 0 1 347.346 2.813 20 5 EFBDMN Cc1cc2nc(-c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[nH]c2cc1F ZINC001250694530 1315244724 /nfs/dbraw/zinc/24/47/24/1315244724.db2.gz WTBPSFZTCYHMAM-UHFFFAOYSA-N 0 1 349.343 2.989 20 5 EFBDMN CN1CCN(c2ccc3[nH]c(-c4ccccc4[N+](=O)[O-])nc3c2)CC1 ZINC001250745373 1315257101 /nfs/dbraw/zinc/25/71/01/1315257101.db2.gz OTISFGICAYZIQF-UHFFFAOYSA-N 0 1 337.383 2.890 20 5 EFBDMN O=C1COc2cc3[nH]c(-c4ccc(F)cc4[N+](=O)[O-])nc3cc2N1 ZINC001250853066 1315279588 /nfs/dbraw/zinc/27/95/88/1315279588.db2.gz NREMJPGEFJVYRH-UHFFFAOYSA-N 0 1 328.259 2.608 20 5 EFBDMN CN1CCN(c2cccc3[nH]c(-c4csc([N+](=O)[O-])c4)nc32)CC1 ZINC001250928422 1315296730 /nfs/dbraw/zinc/29/67/30/1315296730.db2.gz OYHFFHQJIRAACB-UHFFFAOYSA-N 0 1 343.412 2.951 20 5 EFBDMN O=[N+]([O-])c1cnccc1-c1nc2cc(N3CCOCC3)c(F)cc2[nH]1 ZINC001250938101 1315298012 /nfs/dbraw/zinc/29/80/12/1315298012.db2.gz AHUDJWAZDNQZDD-UHFFFAOYSA-N 0 1 343.318 2.509 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc3cc(N4CCOCC4)ccc3[nH]2)c(O)c1 ZINC001251008954 1315309920 /nfs/dbraw/zinc/30/99/20/1315309920.db2.gz AHAMOFWVORHSIG-UHFFFAOYSA-N 0 1 340.339 2.680 20 5 EFBDMN O=C1COc2cc3[nH]c(-c4ncc(Cl)cc4[N+](=O)[O-])nc3cc2N1 ZINC001251790127 1315378243 /nfs/dbraw/zinc/37/82/43/1315378243.db2.gz VVMTXEICYIQMJG-UHFFFAOYSA-N 0 1 345.702 2.517 20 5 EFBDMN NCc1ncccc1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469904 1315706903 /nfs/dbraw/zinc/70/69/03/1315706903.db2.gz IYXWQNRZLXMIMC-UHFFFAOYSA-N 0 1 327.388 2.529 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCC(NCc3nccc(Cl)n3)CC2)cc1 ZINC001254469612 1315707050 /nfs/dbraw/zinc/70/70/50/1315707050.db2.gz SGEKLTGLUSTRFY-UHFFFAOYSA-N 0 1 347.806 2.797 20 5 EFBDMN O=C1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1F ZINC001254473820 1315707650 /nfs/dbraw/zinc/70/76/50/1315707650.db2.gz IDGDWXWSBCCZPG-INIZCTEOSA-N 0 1 335.379 2.567 20 5 EFBDMN Cc1cccn2c(CN[C@@H](C)Cc3ccccc3[N+](=O)[O-])nnc12 ZINC001254531346 1315720918 /nfs/dbraw/zinc/72/09/18/1315720918.db2.gz DTCJCTMMVUZMQI-ZDUSSCGKSA-N 0 1 325.372 2.667 20 5 EFBDMN CCOC(=O)[C@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])CCS1 ZINC001254564838 1315724531 /nfs/dbraw/zinc/72/45/31/1315724531.db2.gz NLENWTUTOAVDDT-IUODEOHRSA-N 0 1 338.429 2.506 20 5 EFBDMN CC(C)C(=O)N[C@@H]1CCCN([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254570582 1315725292 /nfs/dbraw/zinc/72/52/92/1315725292.db2.gz OFTOCLGHKCQQEM-GDBMZVCRSA-N 0 1 333.432 2.762 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1nnc(-c3ccccc3)o1)C2 ZINC001254573391 1315726128 /nfs/dbraw/zinc/72/61/28/1315726128.db2.gz YXMAHYWNEVVSQQ-HNNXBMFYSA-N 0 1 336.351 2.902 20 5 EFBDMN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cc(F)cc(F)c1 ZINC001254589612 1315728617 /nfs/dbraw/zinc/72/86/17/1315728617.db2.gz PVCQTIOJBDRJTM-OAHLLOKOSA-N 0 1 332.306 2.813 20 5 EFBDMN C[C@@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@]1(O)C(F)(F)F ZINC001254599711 1315729765 /nfs/dbraw/zinc/72/97/65/1315729765.db2.gz PFKJDUCXZDGPCG-KMUNFCNLSA-N 0 1 344.333 2.697 20 5 EFBDMN CC[C@H]1COCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256100350 1315904054 /nfs/dbraw/zinc/90/40/54/1315904054.db2.gz GCZHRQYOILFSJP-AWEZNQCLSA-N 0 1 349.431 2.683 20 5 EFBDMN Cc1ccc(-c2nnc(CCN3C[C@@H](C)O[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC001258144616 1316124374 /nfs/dbraw/zinc/12/43/74/1316124374.db2.gz DCLXVEZMWZFCHS-BETUJISGSA-N 0 1 346.387 2.605 20 5 EFBDMN Cn1ccnc1C[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001261637625 1316422260 /nfs/dbraw/zinc/42/22/60/1316422260.db2.gz AIDHOEWBSQCXMB-CYBMUJFWSA-N 0 1 332.379 2.922 20 5 EFBDMN CC(C)(C)N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC001319822492 1329005226 /nfs/dbraw/zinc/00/52/26/1329005226.db2.gz RFINNLVQHFGCLE-UHFFFAOYSA-N 0 1 330.388 2.632 20 5 EFBDMN C[C@@H](C(=O)N1CCN(C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001320125012 1329089968 /nfs/dbraw/zinc/08/99/68/1329089968.db2.gz PMNOYJSDPOPUQX-GFCCVEGCSA-N 0 1 337.395 2.780 20 5 EFBDMN CCOC(=O)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001320870062 1329312458 /nfs/dbraw/zinc/31/24/58/1329312458.db2.gz XVGALYPIFSAUSZ-CQSZACIVSA-N 0 1 336.388 2.911 20 5 EFBDMN C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NCC(F)(F)F ZINC001320880242 1329313943 /nfs/dbraw/zinc/31/39/43/1329313943.db2.gz NNLGQLKDAGNCLK-NOZJJQNGSA-N 0 1 345.321 2.629 20 5 EFBDMN O=C(NCc1ccc2c(c1)CCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001317866675 1328428308 /nfs/dbraw/zinc/42/83/08/1328428308.db2.gz GHLWPXRKCKQMPA-UHFFFAOYSA-N 0 1 336.351 2.890 20 5 EFBDMN CN1C[C@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1=O ZINC001322610151 1329472320 /nfs/dbraw/zinc/47/23/20/1329472320.db2.gz APHNHTHOVBVRIS-LLVKDONJSA-N 0 1 349.774 2.829 20 5 EFBDMN CC(C)(C)N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001323608570 1329554065 /nfs/dbraw/zinc/55/40/65/1329554065.db2.gz RLELZJGKDASIRH-UHFFFAOYSA-N 0 1 345.403 2.561 20 5 EFBDMN CCc1cc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001323654171 1329559114 /nfs/dbraw/zinc/55/91/14/1329559114.db2.gz RRVKGLCCORXIIE-UHFFFAOYSA-N 0 1 331.376 2.615 20 5 EFBDMN O=[N+]([O-])c1cccc([C@H](O)CN2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC001324011735 1329591158 /nfs/dbraw/zinc/59/11/58/1329591158.db2.gz WOVUGEBRXQOIPK-GOSISDBHSA-N 0 1 340.379 2.881 20 5 EFBDMN Cc1cncc([N+](=O)[O-])c1N1CCN(CCc2ccccc2)CC1 ZINC001324357780 1329619724 /nfs/dbraw/zinc/61/97/24/1329619724.db2.gz JULARSHERRSWKU-UHFFFAOYSA-N 0 1 326.400 2.663 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@@](O)(C2CC2)C1 ZINC001332999530 1331062332 /nfs/dbraw/zinc/06/23/32/1331062332.db2.gz KZZMZMOTONYIBQ-AWEZNQCLSA-N 0 1 330.306 2.960 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@H]3OCCC[C@@H]3C2)o1 ZINC001333018681 1331066831 /nfs/dbraw/zinc/06/68/31/1331066831.db2.gz FFDHZBRVKUTDQD-IUODEOHRSA-N 0 1 344.371 2.646 20 5 EFBDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333099316 1331077834 /nfs/dbraw/zinc/07/78/34/1331077834.db2.gz FJHOVABRCOZCDD-DIFFPNOSSA-N 0 1 340.383 2.569 20 5 EFBDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001333102038 1331078515 /nfs/dbraw/zinc/07/85/15/1331078515.db2.gz ZIABHGIWXCRNHG-MEDUHNTESA-N 0 1 340.383 2.569 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2(C(F)(F)F)CC2)c1C ZINC001333466540 1331149765 /nfs/dbraw/zinc/14/97/65/1331149765.db2.gz LEMGHDFEMZHIGV-UHFFFAOYSA-N 0 1 338.307 2.585 20 5 EFBDMN CCCCCC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001338335885 1331694793 /nfs/dbraw/zinc/69/47/93/1331694793.db2.gz NFJFLTJKQXWQCE-UHFFFAOYSA-N 0 1 334.420 2.865 20 5 EFBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccco2)n[nH]1 ZINC001338384793 1331701379 /nfs/dbraw/zinc/70/13/79/1331701379.db2.gz UKDWPNFMIXMGOC-UHFFFAOYSA-N 0 1 345.340 2.704 20 5 EFBDMN CN(C)c1ccc(NC(=O)CCNCc2ccccc2[N+](=O)[O-])cc1 ZINC001338417951 1331706234 /nfs/dbraw/zinc/70/62/34/1331706234.db2.gz JNZQZQMWPUSYDB-UHFFFAOYSA-N 0 1 342.399 2.779 20 5 EFBDMN CC(C)[C@H](C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001339066842 1331781720 /nfs/dbraw/zinc/78/17/20/1331781720.db2.gz ZLMKBMTVQBSBET-ZDUSSCGKSA-N 0 1 334.420 2.577 20 5 EFBDMN C[C@H](C(=O)OCc1ccc2[nH]nnc2c1)c1ccc([N+](=O)[O-])cc1F ZINC001341806255 1332286014 /nfs/dbraw/zinc/28/60/14/1332286014.db2.gz ZZICGYCSCZNNPX-VIFPVBQESA-N 0 1 344.302 2.852 20 5 EFBDMN C[C@H](C(=O)OCc1ccc2nn[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC001341806255 1332286018 /nfs/dbraw/zinc/28/60/18/1332286018.db2.gz ZZICGYCSCZNNPX-VIFPVBQESA-N 0 1 344.302 2.852 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3ccc(F)cc3F)C2)nc1 ZINC001342118219 1332306959 /nfs/dbraw/zinc/30/69/59/1332306959.db2.gz IQDQNRLYBMKBPM-AWEZNQCLSA-N 0 1 348.353 2.997 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC(=O)N1CCC[C@@H](C)C1 ZINC001346854603 1332697175 /nfs/dbraw/zinc/69/71/75/1332697175.db2.gz DOJTXKIGEVHGSO-KGLIPLIRSA-N 0 1 349.431 2.903 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC(=O)N1CCC[C@H](C)C1 ZINC001346854604 1332697266 /nfs/dbraw/zinc/69/72/66/1332697266.db2.gz DOJTXKIGEVHGSO-UONOGXRCSA-N 0 1 349.431 2.903 20 5 EFBDMN COc1ccc(NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC001347496889 1332750758 /nfs/dbraw/zinc/75/07/58/1332750758.db2.gz UQVBLMIPUKSTGU-SECBINFHSA-N 0 1 348.363 2.728 20 5 EFBDMN C[C@H](Nc1ccc(C(F)F)cc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001354265667 1334201748 /nfs/dbraw/zinc/20/17/48/1334201748.db2.gz ACBNIMNEEZIBFW-IINYFYTJSA-N 0 1 328.363 2.579 20 5 EFBDMN C[C@H](Nc1ccc(C(F)F)cc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001354265665 1334202275 /nfs/dbraw/zinc/20/22/75/1334202275.db2.gz ACBNIMNEEZIBFW-HZMBPMFUSA-N 0 1 328.363 2.579 20 5 EFBDMN COC[C@@H]1CCCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848478725 1334736676 /nfs/dbraw/zinc/73/66/76/1334736676.db2.gz MHOXIIKPZWYNHV-CQSZACIVSA-N 0 1 330.388 2.774 20 5 EFBDMN C[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557096 1334793849 /nfs/dbraw/zinc/79/38/49/1334793849.db2.gz CKWVAPUUYJQZCB-MEDUHNTESA-N 0 1 340.383 2.781 20 5 EFBDMN O=C(OCc1ccccc1OCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000848765351 1334882951 /nfs/dbraw/zinc/88/29/51/1334882951.db2.gz BGNRITYCZBQWGQ-HZPDHXFCSA-N 0 1 327.336 2.974 20 5 EFBDMN C[C@@H](NC(=O)[C@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001358142744 1335363061 /nfs/dbraw/zinc/36/30/61/1335363061.db2.gz NMDDDGVQMJRRET-PXAZEXFGSA-N 0 1 325.368 2.659 20 5 EFBDMN C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824605869 1425561563 /nfs/dbraw/zinc/56/15/63/1425561563.db2.gz MROIJNCMNHKXAI-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN CN(C)Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000160143586 712904317 /nfs/dbraw/zinc/90/43/17/712904317.db2.gz QKTUHDPDJTWTCO-UHFFFAOYSA-N 0 1 334.763 2.957 20 5 EFBDMN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cc(F)c(O)c(F)c1 ZINC000254972174 713177006 /nfs/dbraw/zinc/17/70/06/713177006.db2.gz VPVPICKPBFLRAN-MLPAPPSSSA-N 0 1 346.245 2.923 20 5 EFBDMN O=C(N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1)C1CC2(CC2)C1 ZINC001020569265 713215021 /nfs/dbraw/zinc/21/50/21/713215021.db2.gz VIAHUJYYNJFOIO-JOCQHMNTSA-N 0 1 335.429 2.583 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C)C[C@@H]1CC(C)C ZINC000933250780 714571141 /nfs/dbraw/zinc/57/11/41/714571141.db2.gz ZSKRZAIJUCDNRI-INIZCTEOSA-N 0 1 348.447 2.504 20 5 EFBDMN Cc1noc(C[C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000933575419 714901002 /nfs/dbraw/zinc/90/10/02/714901002.db2.gz AHXCIBUJDLEDAG-CQSZACIVSA-N 0 1 346.387 2.620 20 5 EFBDMN Cc1noc(C[C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000933575417 714901170 /nfs/dbraw/zinc/90/11/70/714901170.db2.gz AHXCIBUJDLEDAG-AWEZNQCLSA-N 0 1 346.387 2.620 20 5 EFBDMN CO[C@@H]1CCOC[C@H]1NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000934035177 715182116 /nfs/dbraw/zinc/18/21/16/715182116.db2.gz ITMHTHIKTSELHL-CHWSQXEVSA-N 0 1 334.294 2.507 20 5 EFBDMN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000121277569 715213363 /nfs/dbraw/zinc/21/33/63/715213363.db2.gz VGCRNCWPSMJVIB-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000934166449 715237023 /nfs/dbraw/zinc/23/70/23/715237023.db2.gz RBKVJRHPHDTQOW-QVHKTLOISA-N 0 1 335.404 2.788 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc4c3OCC4)C2)nc1 ZINC000892078829 715244004 /nfs/dbraw/zinc/24/40/04/715244004.db2.gz TZKSXDQMTIRSFO-HNNXBMFYSA-N 0 1 340.383 2.611 20 5 EFBDMN Cc1ccc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000263543364 715292224 /nfs/dbraw/zinc/29/22/24/715292224.db2.gz FFRLAKZRXQUAHD-UHFFFAOYSA-N 0 1 333.388 2.643 20 5 EFBDMN CCn1cccc1C(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001023093085 716144162 /nfs/dbraw/zinc/14/41/62/716144162.db2.gz OHUSEGSYOUTGDW-BETUJISGSA-N 0 1 348.428 2.528 20 5 EFBDMN COc1cccc(CNCc2ccc(O)c(OC)c2[N+](=O)[O-])c1C ZINC000895468700 724149682 /nfs/dbraw/zinc/14/96/82/724149682.db2.gz ZZYIUIYBRFBGQV-UHFFFAOYSA-N 0 1 332.356 2.916 20 5 EFBDMN COc1c(O)ccc(CNCCOc2cccc(F)c2)c1[N+](=O)[O-] ZINC000892639333 718364364 /nfs/dbraw/zinc/36/43/64/718364364.db2.gz BQWQNWRSYHGKIR-UHFFFAOYSA-N 0 1 336.319 2.617 20 5 EFBDMN O=C(NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC000181168922 718405269 /nfs/dbraw/zinc/40/52/69/718405269.db2.gz YNPLKKFGWATKLL-UHFFFAOYSA-N 0 1 345.321 2.628 20 5 EFBDMN O=C([N-]CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC000181168922 718405271 /nfs/dbraw/zinc/40/52/71/718405271.db2.gz YNPLKKFGWATKLL-UHFFFAOYSA-N 0 1 345.321 2.628 20 5 EFBDMN O=C([N-]CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC000181168922 718405273 /nfs/dbraw/zinc/40/52/73/718405273.db2.gz YNPLKKFGWATKLL-UHFFFAOYSA-N 0 1 345.321 2.628 20 5 EFBDMN COc1cc(CNCc2ccc(O)c(OC)c2[N+](=O)[O-])ccc1C ZINC000892695967 718762131 /nfs/dbraw/zinc/76/21/31/718762131.db2.gz HARLONONKVZVFN-UHFFFAOYSA-N 0 1 332.356 2.916 20 5 EFBDMN O=C(CC1CC1)N1CC2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981578011 718840818 /nfs/dbraw/zinc/84/08/18/718840818.db2.gz LPFWQFMXHBDMBM-UHFFFAOYSA-N 0 1 343.427 2.819 20 5 EFBDMN CCCC(=O)N1CC2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981585250 718849163 /nfs/dbraw/zinc/84/91/63/718849163.db2.gz UARUVOPEHDLWMD-UHFFFAOYSA-N 0 1 331.416 2.819 20 5 EFBDMN CC(C)C(=O)N1CC2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981629221 718906571 /nfs/dbraw/zinc/90/65/71/718906571.db2.gz RZTMETZJCJWICI-UHFFFAOYSA-N 0 1 331.416 2.675 20 5 EFBDMN CCOC(=O)N1CC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893654199 719153014 /nfs/dbraw/zinc/15/30/14/719153014.db2.gz FPCORWUNHWYRMS-LBPRGKRZSA-N 0 1 327.768 2.569 20 5 EFBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164632207 719178488 /nfs/dbraw/zinc/17/84/88/719178488.db2.gz DIGYNTYYYFHPJE-VHSXEESVSA-N 0 1 335.795 2.720 20 5 EFBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164637257 719248462 /nfs/dbraw/zinc/24/84/62/719248462.db2.gz VDMRFWOLLYVWNV-NWDGAFQWSA-N 0 1 345.378 2.720 20 5 EFBDMN C[C@@H]1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)[C@H](C)CN1C ZINC001164637259 719248890 /nfs/dbraw/zinc/24/88/90/719248890.db2.gz VDMRFWOLLYVWNV-VXGBXAGGSA-N 0 1 345.378 2.720 20 5 EFBDMN O=C(N[C@@H]1[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1ccsc1 ZINC001025666509 719290953 /nfs/dbraw/zinc/29/09/53/719290953.db2.gz JREUOLNWAYHGEK-ZSHCYNCHSA-N 0 1 343.408 2.517 20 5 EFBDMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)c1ccsc1 ZINC001025667162 719290965 /nfs/dbraw/zinc/29/09/65/719290965.db2.gz VHIWNFNINHYLOA-ZSHCYNCHSA-N 0 1 343.408 2.517 20 5 EFBDMN Cc1ccnc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164722179 720352747 /nfs/dbraw/zinc/35/27/47/720352747.db2.gz FHJGIQXULLMWOO-HOTGVXAUSA-N 0 1 339.399 2.546 20 5 EFBDMN Cc1ccnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164722177 720353113 /nfs/dbraw/zinc/35/31/13/720353113.db2.gz FHJGIQXULLMWOO-CVEARBPZSA-N 0 1 339.399 2.546 20 5 EFBDMN CC(C)N(C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])ccn1)[C@@H]2C ZINC001164862271 720922940 /nfs/dbraw/zinc/92/29/40/720922940.db2.gz VKQAGGZQERIOKV-CYBMUJFWSA-N 0 1 344.419 2.608 20 5 EFBDMN O=C(OCc1ccc(Cl)cc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC000840670182 721758251 /nfs/dbraw/zinc/75/82/51/721758251.db2.gz CRUBNJCTZZFFBY-PSASIEDQSA-N 0 1 334.553 2.811 20 5 EFBDMN O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670197 721843879 /nfs/dbraw/zinc/84/38/79/721843879.db2.gz CTZMNQHMVDVUDT-VXNVDRBHSA-N 0 1 330.218 2.555 20 5 EFBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC000840672450 721961508 /nfs/dbraw/zinc/96/15/08/721961508.db2.gz QFXICFMNIWOBGT-FMTFEUNWSA-N 0 1 347.154 2.529 20 5 EFBDMN Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](Nc3cc(C)ccc3[N+](=O)[O-])C2)c1C ZINC001059172394 722764695 /nfs/dbraw/zinc/76/46/95/722764695.db2.gz QBSPDRXFQWEOHL-JOCQHMNTSA-N 0 1 343.387 2.616 20 5 EFBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC(N2CN=NC2=O)CC1 ZINC000894607928 722791771 /nfs/dbraw/zinc/79/17/71/722791771.db2.gz AYNCTILYXGOVSN-UKTHLTGXSA-N 0 1 343.387 2.632 20 5 EFBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3cnc4n3CCOC4)C2)cc1 ZINC000894718814 722827410 /nfs/dbraw/zinc/82/74/10/722827410.db2.gz KOWNRNHFSVZIHW-HNNXBMFYSA-N 0 1 342.399 2.701 20 5 EFBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCO[C@H]2CCCCO2)c1 ZINC000894799690 722850556 /nfs/dbraw/zinc/85/05/56/722850556.db2.gz MHUFYNKYYGMKKR-AWEZNQCLSA-N 0 1 346.330 2.829 20 5 EFBDMN Cc1ccc(N2CCN(CCc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000894843038 722889033 /nfs/dbraw/zinc/88/90/33/722889033.db2.gz IFAVQLPGXCJUTH-UHFFFAOYSA-N 0 1 326.400 2.663 20 5 EFBDMN Cc1ncc2n1C[C@H](c1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000895962656 723068452 /nfs/dbraw/zinc/06/84/52/723068452.db2.gz GLQBAHJVOGJEPH-GFCCVEGCSA-N 0 1 325.328 2.880 20 5 EFBDMN COc1ccc([C@@H]2CCN(Cn3nc(C)c([N+](=O)[O-])c3C)C2)cc1 ZINC000154562257 728803365 /nfs/dbraw/zinc/80/33/65/728803365.db2.gz DFGUGJUSMPBRMX-OAHLLOKOSA-N 0 1 330.388 2.864 20 5 EFBDMN C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 ZINC000181289644 728836707 /nfs/dbraw/zinc/83/67/07/728836707.db2.gz PAIFGNZUCZPPEV-JTQLQIEISA-N 0 1 334.763 2.933 20 5 EFBDMN C[C@@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@H]1CN(C)CCN1C ZINC000895246527 723940688 /nfs/dbraw/zinc/94/06/88/723940688.db2.gz DBYJDGWJPGTRQQ-NOZJJQNGSA-N 0 1 347.246 2.948 20 5 EFBDMN CN(Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000985263586 724033805 /nfs/dbraw/zinc/03/38/05/724033805.db2.gz MBOYRLHYCVLURM-UHFFFAOYSA-N 0 1 348.428 2.721 20 5 EFBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCO[C@@H]1CCOC1 ZINC000897202313 724075115 /nfs/dbraw/zinc/07/51/15/724075115.db2.gz RSWLROIVCNZKEU-LLVKDONJSA-N 0 1 335.187 2.797 20 5 EFBDMN CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000895770527 724306628 /nfs/dbraw/zinc/30/66/28/724306628.db2.gz PCXZSCVPWRTMHV-CQSZACIVSA-N 0 1 328.372 2.685 20 5 EFBDMN CC(C)[C@H]1CN(C)CCN1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925238293 725028321 /nfs/dbraw/zinc/02/83/21/725028321.db2.gz QIZKYUYCBCJFQU-CZUORRHYSA-N 0 1 334.420 2.637 20 5 EFBDMN CC(C)c1n[nH]c(COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000840657506 725545917 /nfs/dbraw/zinc/54/59/17/725545917.db2.gz UMBSUEOCGCDFPG-QWHCGFSZSA-N 0 1 330.344 2.683 20 5 EFBDMN CC(C)c1nc(COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000840657506 725545921 /nfs/dbraw/zinc/54/59/21/725545921.db2.gz UMBSUEOCGCDFPG-QWHCGFSZSA-N 0 1 330.344 2.683 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)nc2)c1C ZINC000152800092 726259167 /nfs/dbraw/zinc/25/91/67/726259167.db2.gz PSZHTWSQBMCQDX-UHFFFAOYSA-N 0 1 325.321 2.547 20 5 EFBDMN Cc1[nH]nc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000732146797 726998516 /nfs/dbraw/zinc/99/85/16/726998516.db2.gz LGROWQZHEBVSDZ-RSAASHCRSA-N 0 1 344.371 2.617 20 5 EFBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732540746 727149237 /nfs/dbraw/zinc/14/92/37/727149237.db2.gz BTCMXCBJAJWRBI-MRVPVSSYSA-N 0 1 347.762 2.954 20 5 EFBDMN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 ZINC000007553096 727211301 /nfs/dbraw/zinc/21/13/01/727211301.db2.gz JGHZDVNTTMQUSZ-CQSZACIVSA-N 0 1 349.412 2.587 20 5 EFBDMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000910346688 727432856 /nfs/dbraw/zinc/43/28/56/727432856.db2.gz SUAHSWSUSWWDKO-OLZOCXBDSA-N 0 1 335.404 2.754 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000732973145 727587361 /nfs/dbraw/zinc/58/73/61/727587361.db2.gz MWJFYLIZQHLDAP-LBPRGKRZSA-N 0 1 336.298 2.882 20 5 EFBDMN CC1=NC(=S)N[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)OCC(C)C ZINC000916191331 727666305 /nfs/dbraw/zinc/66/63/05/727666305.db2.gz YFJNSQQWDLXOJX-AWEZNQCLSA-N 0 1 349.412 2.587 20 5 EFBDMN COC(=O)c1ccc(/C=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)nc1 ZINC000917145497 727777544 /nfs/dbraw/zinc/77/75/44/727777544.db2.gz CQZYCHFGQGXQAI-HYXAFXHYSA-N 0 1 330.296 2.661 20 5 EFBDMN CNC(=O)c1ccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000131050763 728417555 /nfs/dbraw/zinc/41/75/55/728417555.db2.gz XJAXFKLGMYOYCZ-UHFFFAOYSA-N 0 1 333.775 2.898 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H](C2OCCO2)C1 ZINC000172020362 728563112 /nfs/dbraw/zinc/56/31/12/728563112.db2.gz DWOVTUSYUTXFAL-LBPRGKRZSA-N 0 1 326.780 2.833 20 5 EFBDMN O=[N+]([O-])CCN(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000930081388 729037636 /nfs/dbraw/zinc/03/76/36/729037636.db2.gz LUZGWWCGTWKESD-LJQANCHMSA-N 0 1 326.396 2.599 20 5 EFBDMN Cc1cc(C(=O)N2CCN(C3CCCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000155061436 729074012 /nfs/dbraw/zinc/07/40/12/729074012.db2.gz FYVJCTDQZAJDFC-UHFFFAOYSA-N 0 1 346.431 2.576 20 5 EFBDMN CCCC[N@@H+](CCOC)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000068619979 729733270 /nfs/dbraw/zinc/73/32/70/729733270.db2.gz MXGCILJXWNWCKZ-UHFFFAOYSA-N 0 1 333.392 2.559 20 5 EFBDMN CCCCN(CCOC)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000068619979 729733271 /nfs/dbraw/zinc/73/32/71/729733271.db2.gz MXGCILJXWNWCKZ-UHFFFAOYSA-N 0 1 333.392 2.559 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000068975121 729767941 /nfs/dbraw/zinc/76/79/41/729767941.db2.gz AZPRHABPHBKSSZ-MRXNPFEDSA-N 0 1 349.337 2.906 20 5 EFBDMN C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901512927 956332282 /nfs/dbraw/zinc/33/22/82/956332282.db2.gz MYNVOXNUTUTZNC-LLVKDONJSA-N 0 1 349.206 2.715 20 5 EFBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901512927 956332293 /nfs/dbraw/zinc/33/22/93/956332293.db2.gz MYNVOXNUTUTZNC-LLVKDONJSA-N 0 1 349.206 2.715 20 5 EFBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000235338858 960413244 /nfs/dbraw/zinc/41/32/44/960413244.db2.gz OWTHVYFQUKDKQA-PSASIEDQSA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@H](C[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000235471230 960440162 /nfs/dbraw/zinc/44/01/62/960440162.db2.gz FDXNWXQNYFUAMT-MRVPVSSYSA-N 0 1 331.166 2.510 20 5 EFBDMN C[C@H](C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000235471230 960440174 /nfs/dbraw/zinc/44/01/74/960440174.db2.gz FDXNWXQNYFUAMT-MRVPVSSYSA-N 0 1 331.166 2.510 20 5 EFBDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000235605057 960465884 /nfs/dbraw/zinc/46/58/84/960465884.db2.gz OWTHVYFQUKDKQA-WPRPVWTQSA-N 0 1 343.177 2.652 20 5 EFBDMN COc1cc(C[NH+]2CCC(CCC(=O)[O-])CC2)c([N+](=O)[O-])cc1F ZINC001574185627 962830508 /nfs/dbraw/zinc/83/05/08/962830508.db2.gz WFTGCAQZTIMFSY-UHFFFAOYSA-N 0 1 340.351 2.819 20 5 EFBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000234059354 967751526 /nfs/dbraw/zinc/75/15/26/967751526.db2.gz VXMFEBTVSMGAOQ-VIFPVBQESA-N 0 1 331.166 2.652 20 5 EFBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000923255395 969649001 /nfs/dbraw/zinc/64/90/01/969649001.db2.gz DWFWVQIZWPZYDM-NSHDSACASA-N 0 1 331.166 2.652 20 5 EFBDMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001606123127 973364330 /nfs/dbraw/zinc/36/43/30/973364330.db2.gz QDBVCPFKUWZVGV-LLVKDONJSA-N 0 1 333.344 2.955 20 5 EFBDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001591712333 975604640 /nfs/dbraw/zinc/60/46/40/975604640.db2.gz RATPAVFWHGKHBO-CYBMUJFWSA-N 0 1 330.768 2.558 20 5 EFBDMN C[C@H](C[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1)C(=O)[O-] ZINC001592609706 978557199 /nfs/dbraw/zinc/55/71/99/978557199.db2.gz JRVUMGKNXBBHMP-GFCCVEGCSA-N 0 1 344.371 2.601 20 5 EFBDMN CCC[N@H+]1CC[C@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844208397 979357718 /nfs/dbraw/zinc/35/77/18/979357718.db2.gz QXBBTAXXUYMXFW-YVARQFDVSA-N 0 1 333.388 2.836 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC000901886807 980599642 /nfs/dbraw/zinc/59/96/42/980599642.db2.gz AZTKEPMJCUJNKC-GMMCIKNFSA-N 0 1 336.413 2.748 20 5 EFBDMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903697043 981015430 /nfs/dbraw/zinc/01/54/30/981015430.db2.gz GIFKJOXALILNFQ-GFCCVEGCSA-N 0 1 343.177 2.796 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000903935324 981055396 /nfs/dbraw/zinc/05/53/96/981055396.db2.gz JFHWBZQMNCDUMH-OAHLLOKOSA-N 0 1 348.399 2.932 20 5 EFBDMN Cc1c(C[N@H+]2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000903942247 981064525 /nfs/dbraw/zinc/06/45/25/981064525.db2.gz BDYNVVGLYDAEIM-IAOVAPTHSA-N 0 1 348.399 2.747 20 5 EFBDMN C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001599841325 988838511 /nfs/dbraw/zinc/83/85/11/988838511.db2.gz ZDTSFEZMXPQBOY-LLVKDONJSA-N 0 1 343.339 2.582 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C(=O)[O-])cc1F ZINC001599622402 994101945 /nfs/dbraw/zinc/10/19/45/994101945.db2.gz KMXZJZBQCZKPPA-UHFFFAOYSA-N 0 1 334.303 2.731 20 5 EFBDMN C[C@@]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001593286912 994650302 /nfs/dbraw/zinc/65/03/02/994650302.db2.gz ZXJXGUGGVHSEOY-INIZCTEOSA-N 0 1 336.294 2.963 20 5 EFBDMN C[C@@]([NH2+]Cc1ccncc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593310698 994773385 /nfs/dbraw/zinc/77/33/85/994773385.db2.gz JQHMNIFJIMZJQF-HNNXBMFYSA-N 0 1 335.747 2.733 20 5 EFBDMN COCC[C@H]([NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccco1 ZINC001599217507 997608333 /nfs/dbraw/zinc/60/83/33/997608333.db2.gz HWNKRRKTNVBWEE-ZDUSSCGKSA-N 0 1 334.328 2.753 20 5 EFBDMN O=C([O-])[C@@H]1C[C@@H]2CCC[C@@H]2[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001574928174 1088156612 /nfs/dbraw/zinc/15/66/12/1088156612.db2.gz IHSFVDOJXQALEQ-YZMDESFKSA-N 0 1 326.299 2.701 20 5 EFBDMN C[C@@](N)(C(=O)NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001576082075 1088912678 /nfs/dbraw/zinc/91/26/78/1088912678.db2.gz UIEZISCDCJRGTO-INIZCTEOSA-N 0 1 333.775 2.739 20 5 EFBDMN C[C@H](NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001576176306 1088979511 /nfs/dbraw/zinc/97/95/11/1088979511.db2.gz VGVDBCQAEANOCT-DYZYQPBXSA-N 0 1 349.337 2.924 20 5 EFBDMN COc1ccc(CNCc2cccc(-c3cn[nH]n3)c2)cc1[N+](=O)[O-] ZINC001577071640 1089631308 /nfs/dbraw/zinc/63/13/08/1089631308.db2.gz QQJCWNLAHASVFN-UHFFFAOYSA-N 0 1 339.355 2.678 20 5 EFBDMN Cc1cc(C(=O)N[C@H](c2c[nH]nn2)c2ccccc2)ccc1[N+](=O)[O-] ZINC001577276480 1089792575 /nfs/dbraw/zinc/79/25/75/1089792575.db2.gz GFWQQRVERVLXIZ-INIZCTEOSA-N 0 1 337.339 2.541 20 5 EFBDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001589103783 1093032579 /nfs/dbraw/zinc/03/25/79/1093032579.db2.gz WSOZSRFQFIXSPI-CYBMUJFWSA-N 0 1 330.392 2.643 20 5 EFBDMN C[C@@H](NCc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1ccsc1 ZINC001589965765 1093199944 /nfs/dbraw/zinc/19/99/44/1093199944.db2.gz PXGCUGKXJZEHHY-SECBINFHSA-N 0 1 330.373 2.687 20 5 EFBDMN CC[NH+](CC)CCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590687409 1093548303 /nfs/dbraw/zinc/54/83/03/1093548303.db2.gz MWRJPKATKPELNA-GFCCVEGCSA-N 0 1 347.423 2.697 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CNC1(c2ccccc2)CC1 ZINC001593480448 1094326131 /nfs/dbraw/zinc/32/61/31/1094326131.db2.gz ACNKZMRGRBITOC-UHFFFAOYSA-N 0 1 336.355 2.554 20 5 EFBDMN Cc1ncc(CN)c(=N)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001167675879 1094344558 /nfs/dbraw/zinc/34/45/58/1094344558.db2.gz RSDVLSPDYHZTNX-UHFFFAOYSA-N 0 1 335.367 2.694 20 5 EFBDMN Cc1c(C[NH2+]Cc2ccc(Cl)c(C(=O)[O-])n2)cccc1[N+](=O)[O-] ZINC001600013437 1094720967 /nfs/dbraw/zinc/72/09/67/1094720967.db2.gz JWOGNTVSQXLBOM-UHFFFAOYSA-N 0 1 335.747 2.940 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C2CCCCC2)n1 ZINC001600107566 1094774938 /nfs/dbraw/zinc/77/49/38/1094774938.db2.gz YACBLEJMAQUNCE-ZDUSSCGKSA-N 0 1 348.403 2.815 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](C)[N@H+]2CCCC[C@H]2C)n1 ZINC001600107632 1094775197 /nfs/dbraw/zinc/77/51/97/1094775197.db2.gz ZUUUPULIYDYWJC-NEPJUHHUSA-N 0 1 336.392 2.671 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC001600107604 1094775924 /nfs/dbraw/zinc/77/59/24/1094775924.db2.gz YVPWXWJUKFGJEO-ZDUSSCGKSA-N 0 1 348.403 2.530 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC001600107603 1094776003 /nfs/dbraw/zinc/77/60/03/1094776003.db2.gz YVPWXWJUKFGJEO-CYBMUJFWSA-N 0 1 348.403 2.530 20 5 EFBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000780385538 1094789620 /nfs/dbraw/zinc/78/96/20/1094789620.db2.gz QMELYDPPMZUWKG-SECBINFHSA-N 0 1 331.284 2.700 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(=O)[O-])C1CCCCC1 ZINC001600305156 1094957739 /nfs/dbraw/zinc/95/77/39/1094957739.db2.gz NXKFGLMXSQDCHH-UHFFFAOYSA-N 0 1 349.387 2.561 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC001600305156 1094957756 /nfs/dbraw/zinc/95/77/56/1094957756.db2.gz NXKFGLMXSQDCHH-UHFFFAOYSA-N 0 1 349.387 2.561 20 5 EFBDMN Cc1ccc(C[N@H+](C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001600410426 1095043310 /nfs/dbraw/zinc/04/33/10/1095043310.db2.gz MXJASMWSMMCSDH-UHFFFAOYSA-N 0 1 344.367 2.999 20 5 EFBDMN Cc1ccc2c(ccnc2NCCN2CCSCC2)c1[N+](=O)[O-] ZINC001167832379 1095262845 /nfs/dbraw/zinc/26/28/45/1095262845.db2.gz HEBGAWJSGUMEIO-UHFFFAOYSA-N 0 1 332.429 2.912 20 5 EFBDMN O=C([O-])[C@@H]1[C@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1(F)F ZINC001601753533 1095890277 /nfs/dbraw/zinc/89/02/77/1095890277.db2.gz WFUFMGPIRQPMSM-XBFCOCLRSA-N 0 1 340.326 2.740 20 5 EFBDMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601757748 1095891071 /nfs/dbraw/zinc/89/10/71/1095891071.db2.gz ZHWPTZHOMKOGIN-BXGCZWRVSA-N 0 1 326.299 2.558 20 5 EFBDMN O=C([O-])[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC001601872668 1095946209 /nfs/dbraw/zinc/94/62/09/1095946209.db2.gz IONLDTLEMSYDLV-INIZCTEOSA-N 0 1 328.324 2.615 20 5 EFBDMN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC001601872668 1095946214 /nfs/dbraw/zinc/94/62/14/1095946214.db2.gz IONLDTLEMSYDLV-INIZCTEOSA-N 0 1 328.324 2.615 20 5 EFBDMN O=C([O-])/C=C\c1ccc(N[C@@H]2CCC[N@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC001601882312 1095955808 /nfs/dbraw/zinc/95/58/08/1095955808.db2.gz JDMWKRLIXKZWGS-RYWCDNDXSA-N 0 1 337.351 2.538 20 5 EFBDMN O=C([O-])/C=C\c1ccc(N[C@@H]2CCC[N@@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC001601882312 1095955818 /nfs/dbraw/zinc/95/58/18/1095955818.db2.gz JDMWKRLIXKZWGS-RYWCDNDXSA-N 0 1 337.351 2.538 20 5 EFBDMN O=C([O-])COc1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC001602084165 1096052859 /nfs/dbraw/zinc/05/28/59/1096052859.db2.gz ZCPXIQDOUSCXQM-UHFFFAOYSA-N 0 1 334.372 2.823 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC001602083792 1096053325 /nfs/dbraw/zinc/05/33/25/1096053325.db2.gz TUONOAMKABXZPR-KDOFPFPSSA-N 0 1 346.383 2.679 20 5 EFBDMN O=C([O-])Cc1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC001602126439 1096079188 /nfs/dbraw/zinc/07/91/88/1096079188.db2.gz FDHPZWRSNXVBPU-UKRRQHHQSA-N 0 1 333.388 2.651 20 5 EFBDMN O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(O)cc1 ZINC001602188720 1096109291 /nfs/dbraw/zinc/10/92/91/1096109291.db2.gz MCOVOSIGFVSANB-JKSUJKDBSA-N 0 1 342.351 2.601 20 5 EFBDMN O=C([O-])c1c(Cl)c(N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC001602232252 1096129078 /nfs/dbraw/zinc/12/90/78/1096129078.db2.gz GZPXZSWKGDVQCK-MRVPVSSYSA-N 0 1 336.735 2.570 20 5 EFBDMN O=C([O-])c1c(Cl)c(NC[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC001602232566 1096129419 /nfs/dbraw/zinc/12/94/19/1096129419.db2.gz JYAIQDUXYCZTOJ-VIFPVBQESA-N 0 1 339.779 2.843 20 5 EFBDMN O=C([O-])c1c(Cl)c(NC[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC001602232565 1096129572 /nfs/dbraw/zinc/12/95/72/1096129572.db2.gz JYAIQDUXYCZTOJ-SECBINFHSA-N 0 1 339.779 2.843 20 5 EFBDMN O=C([O-])c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1F ZINC001602349781 1096196384 /nfs/dbraw/zinc/19/63/84/1096196384.db2.gz KBCFULBXLRXYBK-UHFFFAOYSA-N 0 1 344.302 2.598 20 5 EFBDMN CC(C)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C(=O)[O-] ZINC001603809637 1096634051 /nfs/dbraw/zinc/63/40/51/1096634051.db2.gz CFDXCZATFWLVRB-HNNXBMFYSA-N 0 1 338.404 2.697 20 5 EFBDMN CC(C)[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC[N@H+]1C ZINC001603983156 1096686914 /nfs/dbraw/zinc/68/69/14/1096686914.db2.gz AZFLBFRMMMFUMQ-CYBMUJFWSA-N 0 1 341.795 2.723 20 5 EFBDMN C[C@]([NH2+]Cc1ccc(Cl)cn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604349718 1096824883 /nfs/dbraw/zinc/82/48/83/1096824883.db2.gz KEELNCQXIVYOSO-OAHLLOKOSA-N 0 1 335.747 2.733 20 5 EFBDMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604383271 1096834085 /nfs/dbraw/zinc/83/40/85/1096834085.db2.gz ITFMFGLGLLQRPX-IUODEOHRSA-N 0 1 336.388 2.809 20 5 EFBDMN C[C@H](NCc1cc(-c2nn[nH]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC001605440739 1097126204 /nfs/dbraw/zinc/12/62/04/1097126204.db2.gz MMVCHEYWKSETEM-VIFPVBQESA-N 0 1 330.373 2.687 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001605884700 1097265374 /nfs/dbraw/zinc/26/53/74/1097265374.db2.gz WTKHDMQPWLAGOM-SECBINFHSA-N 0 1 343.299 2.594 20 5 EFBDMN C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)[O-])cc1 ZINC001606138504 1097324887 /nfs/dbraw/zinc/32/48/87/1097324887.db2.gz WXLKHFWYHJSTBW-UHFFFAOYSA-N 0 1 330.340 2.804 20 5 EFBDMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001606136654 1097325252 /nfs/dbraw/zinc/32/52/52/1097325252.db2.gz VKHKJOPPUQMNFP-UHFFFAOYSA-N 0 1 348.330 2.943 20 5 EFBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001608580396 1097960183 /nfs/dbraw/zinc/96/01/83/1097960183.db2.gz CHXVVFBGUOTBGS-SFHVURJKSA-N 0 1 344.342 2.962 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC001608634034 1097972532 /nfs/dbraw/zinc/97/25/32/1097972532.db2.gz QEKYCGDTEOSZKO-VQHPVUNQSA-N 0 1 348.399 2.594 20 5 EFBDMN O=C([O-])C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC001608700142 1097994026 /nfs/dbraw/zinc/99/40/26/1097994026.db2.gz BXRNSODVLHTWNW-OAHLLOKOSA-N 0 1 346.339 2.530 20 5 EFBDMN O=C([O-])C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC001608700142 1097994030 /nfs/dbraw/zinc/99/40/30/1097994030.db2.gz BXRNSODVLHTWNW-OAHLLOKOSA-N 0 1 346.339 2.530 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC001608758901 1098011274 /nfs/dbraw/zinc/01/12/74/1098011274.db2.gz MAQXHFFSEUVZIF-CYBMUJFWSA-N 0 1 346.339 2.641 20 5 EFBDMN C[C@@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001609784148 1098457388 /nfs/dbraw/zinc/45/73/88/1098457388.db2.gz ADOICKBBLVHEGC-NEPJUHHUSA-N 0 1 348.403 2.753 20 5 EFBDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC001609811645 1098466062 /nfs/dbraw/zinc/46/60/62/1098466062.db2.gz RGSKUUHBOMLDHF-QGZVFWFLSA-N 0 1 344.371 2.603 20 5 EFBDMN C[C@@H]1Cc2[nH+]cn(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])c2C[C@@H]1C ZINC001609876756 1098482371 /nfs/dbraw/zinc/48/23/71/1098482371.db2.gz AHEQBLRAOJVEJX-MNOVXSKESA-N 0 1 329.356 2.909 20 5 EFBDMN CC[N@H+]1CC[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC001610010327 1098521577 /nfs/dbraw/zinc/52/15/77/1098521577.db2.gz WIHSQGUYJIXULG-IUODEOHRSA-N 0 1 335.404 2.598 20 5 EFBDMN Cc1[nH]c(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC001610401135 1098658190 /nfs/dbraw/zinc/65/81/90/1098658190.db2.gz DSYKPXGSENMAFD-SNVBAGLBSA-N 0 1 345.355 2.771 20 5 EFBDMN Cc1cc(C2CC[NH+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC001610458050 1098690157 /nfs/dbraw/zinc/69/01/57/1098690157.db2.gz SACWWYGMDFSSTO-UHFFFAOYSA-N 0 1 344.371 2.704 20 5 EFBDMN O=C(NCc1ccc(COc2ccc(F)cc2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000843664815 1099734054 /nfs/dbraw/zinc/73/40/54/1099734054.db2.gz ZANGJZUBRANTEN-IAGOWNOFSA-N 0 1 344.342 2.686 20 5 EFBDMN C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000840369408 1101032351 /nfs/dbraw/zinc/03/23/51/1101032351.db2.gz LWPSITJNPNERQF-AWEZNQCLSA-N 0 1 326.400 2.888 20 5 EFBDMN CN(Cc1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1)C(C)(C)C ZINC000905807933 1103625136 /nfs/dbraw/zinc/62/51/36/1103625136.db2.gz CFNNUOZHVKAXDT-UHFFFAOYSA-N 0 1 339.346 2.743 20 5 EFBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000905984383 1103791411 /nfs/dbraw/zinc/79/14/11/1103791411.db2.gz LYAKHNVSEDGPEU-WOPDTQHZSA-N 0 1 337.445 2.870 20 5 EFBDMN Cc1csc(C(=O)NCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001126732431 1104645634 /nfs/dbraw/zinc/64/56/34/1104645634.db2.gz HVAPFEQUSNCXAQ-UHFFFAOYSA-N 0 1 325.415 2.546 20 5 EFBDMN O=C(CNC/C=C/c1ccccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000729684944 1104779941 /nfs/dbraw/zinc/77/99/41/1104779941.db2.gz NDWQBPKRTNWMBY-VMPITWQZSA-N 0 1 337.379 2.787 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CNCC[C@H](O)C3CC3)cs2)c1 ZINC000898202205 1106261220 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O=C([O-])CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000424249140 246706774 /nfs/dbraw/zinc/70/67/74/246706774.db2.gz AHXBPJBWGRYQCQ-AWEZNQCLSA-N 0 1 349.387 2.643 20 5 EFBDMN C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160037496 206276072 /nfs/dbraw/zinc/27/60/72/206276072.db2.gz GPXCQOYYHLJGRB-CYBMUJFWSA-N 0 1 335.404 2.542 20 5 EFBDMN CCc1csc([C@H]2CCCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)n1 ZINC000265013350 247134469 /nfs/dbraw/zinc/13/44/69/247134469.db2.gz UVQKWAXBYQLKFE-JTQLQIEISA-N 0 1 349.416 2.665 20 5 EFBDMN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000161678719 206362983 /nfs/dbraw/zinc/36/29/83/206362983.db2.gz YPTPBDUOGGLPTG-JTQLQIEISA-N 0 1 342.359 2.740 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000266101773 248098315 /nfs/dbraw/zinc/09/83/15/248098315.db2.gz RTHJNCJKVLUYOX-HNNXBMFYSA-N 0 1 333.413 2.997 20 5 EFBDMN Cc1ccc(N2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000266169204 248146408 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Cc1c(CC(=O)Nc2cccc(-c3cn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000442670455 250098705 /nfs/dbraw/zinc/09/87/05/250098705.db2.gz JLRRULVWOHGRGO-UHFFFAOYSA-N 0 1 337.339 2.870 20 5 EFBDMN Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2C)cc1S(C)(=O)=O ZINC000444005546 250247800 /nfs/dbraw/zinc/24/78/00/250247800.db2.gz XHUZLRKTEHEJKH-UHFFFAOYSA-N 0 1 348.424 2.905 20 5 EFBDMN Cc1ccc(CNCc2ccc(C)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000443999025 250247922 /nfs/dbraw/zinc/24/79/22/250247922.db2.gz SEBSNFSQIUEMQC-UHFFFAOYSA-N 0 1 348.424 2.905 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc(OC)c2[N+](=O)[O-])n[nH]1 ZINC000444400965 250296333 /nfs/dbraw/zinc/29/63/33/250296333.db2.gz DXXFJLLJWLVMIM-UWVGGRQHSA-N 0 1 347.375 2.726 20 5 EFBDMN CC(C)[C@H]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000444771653 250343908 /nfs/dbraw/zinc/34/39/08/250343908.db2.gz KGPXDOLEHLDKKV-HNNXBMFYSA-N 0 1 331.416 2.852 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCSC[C@@H]1C1CCC1 ZINC000416098030 296301417 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CCc1n[nH]c(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000450131608 251271214 /nfs/dbraw/zinc/27/12/14/251271214.db2.gz CQGNSKPOCDGQDH-UHFFFAOYSA-N 0 1 329.238 2.546 20 5 EFBDMN CCc1nc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000450131608 251271217 /nfs/dbraw/zinc/27/12/17/251271217.db2.gz CQGNSKPOCDGQDH-UHFFFAOYSA-N 0 1 329.238 2.546 20 5 EFBDMN Cc1ccc([C@H]2CSCCN2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176247670 207206788 /nfs/dbraw/zinc/20/67/88/207206788.db2.gz QAHTZQFNPZXVPT-OAHLLOKOSA-N 0 1 332.429 2.890 20 5 EFBDMN Cc1ccc(OC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176247989 207206856 /nfs/dbraw/zinc/20/68/56/207206856.db2.gz OIFOCFJPBSJCJC-UHFFFAOYSA-N 0 1 330.388 2.643 20 5 EFBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177157893 207299452 /nfs/dbraw/zinc/29/94/52/207299452.db2.gz LKVKSELOUUDFHN-XQQFMLRXSA-N 0 1 349.456 2.817 20 5 EFBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177157893 207299456 /nfs/dbraw/zinc/29/94/56/207299456.db2.gz LKVKSELOUUDFHN-XQQFMLRXSA-N 0 1 349.456 2.817 20 5 EFBDMN CN(CCNC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177061697 207289828 /nfs/dbraw/zinc/28/98/28/207289828.db2.gz IDEWQDLSFCTTJK-UHFFFAOYSA-N 0 1 345.374 2.525 20 5 EFBDMN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O ZINC000268565149 252027172 /nfs/dbraw/zinc/02/71/72/252027172.db2.gz PIZAEZFGCXCTLY-UHFFFAOYSA-N 0 1 343.811 2.670 20 5 EFBDMN O=[N+]([O-])c1ccccc1N1CCN(CCCc2ccncc2)CC1 ZINC000347371312 285163255 /nfs/dbraw/zinc/16/32/55/285163255.db2.gz VXORJUFGZLSQQV-UHFFFAOYSA-N 0 1 326.400 2.745 20 5 EFBDMN COC(=O)COc1ccccc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000183743572 533573997 /nfs/dbraw/zinc/57/39/97/533573997.db2.gz DGQAEQFQNUFLIU-ZDUSSCGKSA-N 0 1 344.367 2.997 20 5 EFBDMN COc1ccccc1N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000051119166 132180005 /nfs/dbraw/zinc/18/00/05/132180005.db2.gz CZJVBCJBGUNKEE-UHFFFAOYSA-N 0 1 341.411 2.968 20 5 EFBDMN CN1CCC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000344599330 142046357 /nfs/dbraw/zinc/04/63/57/142046357.db2.gz DUOKQFPUNSJVMZ-HNNXBMFYSA-N 0 1 329.356 2.565 20 5 EFBDMN COc1ccc(-c2ccc(CNC[C@H](O)C(F)F)o2)c([N+](=O)[O-])c1 ZINC000344780949 142077041 /nfs/dbraw/zinc/07/70/41/142077041.db2.gz WDMWFWWKGUCGSM-ZDUSSCGKSA-N 0 1 342.298 2.579 20 5 EFBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000344918650 142097640 /nfs/dbraw/zinc/09/76/40/142097640.db2.gz CWBBMUVHLNGISN-SECBINFHSA-N 0 1 349.416 2.878 20 5 EFBDMN Cc1sc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000346220458 142170429 /nfs/dbraw/zinc/17/04/29/142170429.db2.gz KUSCXAKPOLMSKR-NQBHXWOUSA-N 0 1 337.445 2.767 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4CC[C@H](O)[C@H]4C3)cs2)c1 ZINC000346323131 142189462 /nfs/dbraw/zinc/18/94/62/142189462.db2.gz FNRCNUYNKCUFBI-RCBQFDQVSA-N 0 1 345.424 2.921 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000346403646 142200300 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Cc1c(NC(=O)[C@@H](C)N(C)CC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342584796 145153501 /nfs/dbraw/zinc/15/35/01/145153501.db2.gz IDWHZQPZYOJBAB-KGLIPLIRSA-N 0 1 335.404 2.731 20 5 EFBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCc2cn[nH]c21 ZINC000342656874 145166923 /nfs/dbraw/zinc/16/69/23/145166923.db2.gz OYSZDCVVQRSEKZ-CYBMUJFWSA-N 0 1 349.778 2.848 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC=C(c2ccncc2)C1 ZINC000343558652 145238037 /nfs/dbraw/zinc/23/80/37/145238037.db2.gz BZBKNBAKLOQDEC-UHFFFAOYSA-N 0 1 349.350 2.796 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343565636 145240070 /nfs/dbraw/zinc/24/00/70/145240070.db2.gz RYBUIYJIJYCBIQ-SLEUVZQESA-N 0 1 337.445 2.674 20 5 EFBDMN Cc1nc([C@H](C)Nc2ncc([N+](=O)[O-])c(C)c2Br)n[nH]1 ZINC000343963993 145334592 /nfs/dbraw/zinc/33/45/92/145334592.db2.gz HAFIVAHRNQJSIQ-LURJTMIESA-N 0 1 341.169 2.660 20 5 EFBDMN COc1cc(CN[C@H](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000344217645 145394696 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CC(=O)N1CC[C@@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000352844041 146331585 /nfs/dbraw/zinc/33/15/85/146331585.db2.gz ABEQLEMRWKRNDV-IEBWSBKVSA-N 0 1 339.395 2.895 20 5 EFBDMN Cc1c(C(=O)N2CC(N(C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000352870430 146336755 /nfs/dbraw/zinc/33/67/55/146336755.db2.gz QUHIHGHYGXXFCK-UHFFFAOYSA-N 0 1 339.395 2.860 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCCC[C@H]1C[C@@H](C)O ZINC000352882549 146339958 /nfs/dbraw/zinc/33/99/58/146339958.db2.gz HVWSKVJZVSASET-CABCVRRESA-N 0 1 349.431 2.857 20 5 EFBDMN O=C(CNC/C=C/c1ccccc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000355493649 146976889 /nfs/dbraw/zinc/97/68/89/146976889.db2.gz JHFSSMYUYHOVLG-WEVVVXLNSA-N 0 1 337.379 2.740 20 5 EFBDMN Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356063304 147136594 /nfs/dbraw/zinc/13/65/94/147136594.db2.gz SKZGAUCLNVMSGC-UHFFFAOYSA-N 0 1 343.339 2.563 20 5 EFBDMN Nc1c(F)c(NCCN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000356174051 147167661 /nfs/dbraw/zinc/16/76/61/147167661.db2.gz RBVHFYKVPCMOOI-UHFFFAOYSA-N 0 1 330.363 2.786 20 5 EFBDMN O=C(Nc1ccc2c(c1)NC(=O)CS2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356319002 147210218 /nfs/dbraw/zinc/21/02/18/147210218.db2.gz YXGVLZTVXPMFKK-UHFFFAOYSA-N 0 1 345.336 2.597 20 5 EFBDMN CCOc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC ZINC000356335315 147215462 /nfs/dbraw/zinc/21/54/62/147215462.db2.gz HZTTVPLSNMGDPT-UHFFFAOYSA-N 0 1 346.339 2.638 20 5 EFBDMN CCCNC(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356344080 147218632 /nfs/dbraw/zinc/21/86/32/147218632.db2.gz QNDGQESFKNWHCQ-UHFFFAOYSA-N 0 1 343.339 2.693 20 5 EFBDMN O=C(Nc1nnc(-c2ccco2)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356349615 147220691 /nfs/dbraw/zinc/22/06/91/147220691.db2.gz BEVXBMJDFLAUDA-UHFFFAOYSA-N 0 1 332.297 2.664 20 5 EFBDMN Cc1cccc(OCCN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356358268 147223062 /nfs/dbraw/zinc/22/30/62/147223062.db2.gz JNMNAFIOXWBNTI-UHFFFAOYSA-N 0 1 330.340 2.760 20 5 EFBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000356357444 147223220 /nfs/dbraw/zinc/22/32/20/147223220.db2.gz YLQQCZDDGWYNLL-VNHYZAJKSA-N 0 1 347.415 2.778 20 5 EFBDMN COc1ccc(CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)c(OC)c1 ZINC000356386988 147231145 /nfs/dbraw/zinc/23/11/45/147231145.db2.gz GHIPURJIYKPSLA-UHFFFAOYSA-N 0 1 346.339 2.590 20 5 EFBDMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356512871 147264255 /nfs/dbraw/zinc/26/42/55/147264255.db2.gz MQQFARCQMMRXFM-AWEZNQCLSA-N 0 1 335.404 2.685 20 5 EFBDMN O=C(NCC1(c2cccc(F)c2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356571838 147280421 /nfs/dbraw/zinc/28/04/21/147280421.db2.gz FQEPPFDYEQQMAU-UHFFFAOYSA-N 0 1 330.315 2.901 20 5 EFBDMN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356576492 147281241 /nfs/dbraw/zinc/28/12/41/147281241.db2.gz LPUONVDTPMFAPF-FZMZJTMJSA-N 0 1 334.278 2.865 20 5 EFBDMN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356595167 147286165 /nfs/dbraw/zinc/28/61/65/147286165.db2.gz MGLVANWHBPQJBL-INIZCTEOSA-N 0 1 344.323 2.720 20 5 EFBDMN Cc1cccc(O[C@@H](C)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356607817 147289041 /nfs/dbraw/zinc/28/90/41/147289041.db2.gz SOTAPQFOMUUCIY-LBPRGKRZSA-N 0 1 330.340 2.806 20 5 EFBDMN C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000356609256 147289789 /nfs/dbraw/zinc/28/97/89/147289789.db2.gz YSQILMNDAUYRJE-JTQLQIEISA-N 0 1 334.303 2.637 20 5 EFBDMN O=C(N[C@@H]1COc2cccc(Cl)c21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356610341 147290086 /nfs/dbraw/zinc/29/00/86/147290086.db2.gz BZXPRUXBKWSNRP-GFCCVEGCSA-N 0 1 334.715 2.817 20 5 EFBDMN Cc1nnc(-c2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2)o1 ZINC000356612158 147290656 /nfs/dbraw/zinc/29/06/56/147290656.db2.gz PZTVSAKRYRRYNG-UHFFFAOYSA-N 0 1 340.295 2.911 20 5 EFBDMN Cc1cccc2oc(CCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)nc21 ZINC000356623726 147293409 /nfs/dbraw/zinc/29/34/09/147293409.db2.gz VLPBKDLDWKIXJA-UHFFFAOYSA-N 0 1 341.323 2.723 20 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/nfs/dbraw/zinc/39/01/91/148390191.db2.gz MJTMJWGEJNBKNL-LBPRGKRZSA-N 0 1 332.360 2.858 20 5 EFBDMN COc1ccc(C(=O)Nc2ccccc2-c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000364814927 149251483 /nfs/dbraw/zinc/25/14/83/149251483.db2.gz QVXIIXHTKLMYOW-UHFFFAOYSA-N 0 1 339.311 2.641 20 5 EFBDMN COc1cc(CN2CC[C@@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])cc1F ZINC000368359068 150101465 /nfs/dbraw/zinc/10/14/65/150101465.db2.gz AXJDYTNZAUPTOG-LBPRGKRZSA-N 0 1 348.378 2.541 20 5 EFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000368757354 150198578 /nfs/dbraw/zinc/19/85/78/150198578.db2.gz NHBFOEHBUNSYIX-RAIGVLPGSA-N 0 1 328.290 2.687 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN[C@H]3CCO[C@H]3C3CC3)co2)cc1 ZINC000368903386 150233782 /nfs/dbraw/zinc/23/37/82/150233782.db2.gz GJXDLPHJZNEHBZ-HOTGVXAUSA-N 0 1 329.356 2.907 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c1[N+](=O)[O-] ZINC000369136203 150282549 /nfs/dbraw/zinc/28/25/49/150282549.db2.gz ADMPZSYEAHLFMN-CYBMUJFWSA-N 0 1 343.387 2.597 20 5 EFBDMN COc1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1OC ZINC000369556050 150388218 /nfs/dbraw/zinc/38/82/18/150388218.db2.gz ISQJNBRKEHARRK-UHFFFAOYSA-N 0 1 346.387 2.646 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCOCC2(CCCC2)C1 ZINC000372957660 151087034 /nfs/dbraw/zinc/08/70/34/151087034.db2.gz RLEJFGHUVLFECB-UHFFFAOYSA-N 0 1 344.371 2.504 20 5 EFBDMN O=[N+]([O-])c1ccn(C2CCN(CCOc3ccccc3F)CC2)n1 ZINC000373248739 151141162 /nfs/dbraw/zinc/14/11/62/151141162.db2.gz ZCPNNFLCMSSEFR-UHFFFAOYSA-N 0 1 334.351 2.646 20 5 EFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000373577241 151192282 /nfs/dbraw/zinc/19/22/82/151192282.db2.gz NAKIMEPOBQVFMJ-FVQBIDKESA-N 0 1 340.383 2.796 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000374313861 151320384 /nfs/dbraw/zinc/32/03/84/151320384.db2.gz YTIFSOVIBHNFFW-QZTJIDSGSA-N 0 1 339.395 2.731 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000374313868 151321270 /nfs/dbraw/zinc/32/12/70/151321270.db2.gz YTIFSOVIBHNFFW-ZWKOTPCHSA-N 0 1 339.395 2.731 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000374394995 151338309 /nfs/dbraw/zinc/33/83/09/151338309.db2.gz RNVYIYZTWJLQJZ-ZIAGYGMSSA-N 0 1 344.371 2.503 20 5 EFBDMN C[C@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC12CCC2 ZINC000408085670 152150132 /nfs/dbraw/zinc/15/01/32/152150132.db2.gz BSPSVXMIDNXDQG-AWEZNQCLSA-N 0 1 343.427 2.996 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000408349275 152179797 /nfs/dbraw/zinc/17/97/97/152179797.db2.gz IDMAWXDGMGXQGE-UHFFFAOYSA-N 0 1 331.416 2.994 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263022838 287152583 /nfs/dbraw/zinc/15/25/83/287152583.db2.gz RAANPSYLZSYBMQ-JMJZKYOTSA-N 0 1 332.278 2.851 20 5 EFBDMN CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093710678 544556966 /nfs/dbraw/zinc/55/69/66/544556966.db2.gz NXAIUGXCSIEPFY-QHCPKHFHSA-N 0 1 334.397 2.670 20 5 EFBDMN CC1CCC(N2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000181090412 264960780 /nfs/dbraw/zinc/96/07/80/264960780.db2.gz NMVROPXGGIXDTQ-UHFFFAOYSA-N 0 1 346.431 2.514 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000185401208 265041814 /nfs/dbraw/zinc/04/18/14/265041814.db2.gz ZNMLKKHUPKUREL-SJLPKXTDSA-N 0 1 347.459 2.962 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000185401190 265041938 /nfs/dbraw/zinc/04/19/38/265041938.db2.gz ZNMLKKHUPKUREL-FUHWJXTLSA-N 0 1 347.459 2.962 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](CCO)c2ccccc2)c1[N+](=O)[O-] ZINC000271164862 265904710 /nfs/dbraw/zinc/90/47/10/265904710.db2.gz KZOODSUUCZSRLH-ZDUSSCGKSA-N 0 1 346.387 2.637 20 5 EFBDMN COc1ccc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000271653479 266033549 /nfs/dbraw/zinc/03/35/49/266033549.db2.gz JNEDUPHRWROKDF-ZDUSSCGKSA-N 0 1 343.383 2.917 20 5 EFBDMN O=C(N[C@H]1CCCc2cn[nH]c21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272343952 266235879 /nfs/dbraw/zinc/23/58/79/266235879.db2.gz NLYNSCLRITVMMT-LBPRGKRZSA-N 0 1 336.298 2.604 20 5 EFBDMN COc1ccc([C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)cc1 ZINC000272488307 266282224 /nfs/dbraw/zinc/28/22/24/266282224.db2.gz GWYJIBSFACTULQ-CYBMUJFWSA-N 0 1 342.351 2.939 20 5 EFBDMN C[C@@H]1CCCN(CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272591084 266317200 /nfs/dbraw/zinc/31/72/00/266317200.db2.gz SYHGZKYDRPRLSA-GFCCVEGCSA-N 0 1 341.358 2.535 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC2(C1)CCCCCC2 ZINC000272720750 266363223 /nfs/dbraw/zinc/36/32/23/266363223.db2.gz ZZXBUJNKZUCUIC-UHFFFAOYSA-N 0 1 334.372 2.866 20 5 EFBDMN CC(C)(C)n1cc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000276641651 267028197 /nfs/dbraw/zinc/02/81/97/267028197.db2.gz QYZKGSFQXVZAPQ-UHFFFAOYSA-N 0 1 337.811 2.927 20 5 EFBDMN CCOc1cc(CN2CCC3(C[C@H]3C(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000276824315 267056714 /nfs/dbraw/zinc/05/67/14/267056714.db2.gz AELRJNYLWOQWEK-AWEZNQCLSA-N 0 1 348.399 2.769 20 5 EFBDMN CCOC(=O)c1ccnc(NC[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000277381226 267167916 /nfs/dbraw/zinc/16/79/16/267167916.db2.gz ILDGWVNRDFTKPJ-CYBMUJFWSA-N 0 1 348.403 2.595 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C)N1CCN(C)CC1 ZINC000277818914 267270961 /nfs/dbraw/zinc/27/09/61/267270961.db2.gz QCIKOBCQPHWBDR-GFCCVEGCSA-N 0 1 326.828 2.604 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000277834981 267275721 /nfs/dbraw/zinc/27/57/21/267275721.db2.gz MMCYSRUNFKBWAM-DTWKUNHWSA-N 0 1 335.339 2.857 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000277910166 267296018 /nfs/dbraw/zinc/29/60/18/267296018.db2.gz QUJXIEGETMNAKF-ZYHUDNBSSA-N 0 1 345.403 2.955 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])n[nH]1 ZINC000277997507 267317963 /nfs/dbraw/zinc/31/79/63/267317963.db2.gz WQKVXALHFIIUGZ-RKDXNWHRSA-N 0 1 349.395 2.564 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(OC)ccc2[N+](=O)[O-])n[nH]1 ZINC000278025410 267323438 /nfs/dbraw/zinc/32/34/38/267323438.db2.gz YGCDRKCBWOHMNG-NXEZZACHSA-N 0 1 347.375 2.726 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000278031146 267324814 /nfs/dbraw/zinc/32/48/14/267324814.db2.gz YOQLAPZFLTWRSE-GHMZBOCLSA-N 0 1 331.376 2.646 20 5 EFBDMN CCc1[nH]nc(C(=O)N(CCOC)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000278095988 267341268 /nfs/dbraw/zinc/34/12/68/267341268.db2.gz YLDMEWMMRCHLSP-GFCCVEGCSA-N 0 1 346.387 2.730 20 5 EFBDMN Cc1nc(NC2CCN(Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278685268 267524721 /nfs/dbraw/zinc/52/47/21/267524721.db2.gz LLRJQKCSYLDKIL-UHFFFAOYSA-N 0 1 327.388 2.770 20 5 EFBDMN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1OCCc2ccccc21 ZINC000269666447 273087817 /nfs/dbraw/zinc/08/78/17/273087817.db2.gz SIMSJDPOELJBIC-RBUKOAKNSA-N 0 1 342.395 2.874 20 5 EFBDMN CCS(=O)(=O)C[C@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279003420 273165434 /nfs/dbraw/zinc/16/54/34/273165434.db2.gz GCEAYIZWNOAAGW-NHYWBVRUSA-N 0 1 340.445 2.730 20 5 EFBDMN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCCO1 ZINC000279062046 273172194 /nfs/dbraw/zinc/17/21/94/273172194.db2.gz LQCCLZNRUIETTB-WBVHZDCISA-N 0 1 338.404 2.666 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@H](c3ccc(C)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000279095024 273176156 /nfs/dbraw/zinc/17/61/56/273176156.db2.gz UQWSFQJKJVMABZ-BXUZGUMPSA-N 0 1 328.372 2.953 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000279389438 273210042 /nfs/dbraw/zinc/21/00/42/273210042.db2.gz UDZMUMGBPIDFCJ-GUYCJALGSA-N 0 1 347.415 2.731 20 5 EFBDMN CCOc1ccc([C@H](C)NCc2ccc(C)n(C)c2=O)cc1[N+](=O)[O-] ZINC000279632025 273236207 /nfs/dbraw/zinc/23/62/07/273236207.db2.gz ZHBRHQJFURJURQ-ZDUSSCGKSA-N 0 1 345.399 2.851 20 5 EFBDMN Cc1c(NC(=O)CCN2CCO[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000279702515 273243786 /nfs/dbraw/zinc/24/37/86/273243786.db2.gz HCIPTKFULWSEPN-MRXNPFEDSA-N 0 1 349.431 2.979 20 5 EFBDMN CC(C)(C)[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000279766360 273251015 /nfs/dbraw/zinc/25/10/15/273251015.db2.gz MRCPQMOLBSLCPX-HNNXBMFYSA-N 0 1 335.404 2.670 20 5 EFBDMN CCC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000279815932 273256540 /nfs/dbraw/zinc/25/65/40/273256540.db2.gz AGVBOZXMYXFRQK-DLBZAZTESA-N 0 1 344.367 2.933 20 5 EFBDMN C[C@H](O)C[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279978917 273277014 /nfs/dbraw/zinc/27/70/14/273277014.db2.gz ZIYFZLGOSZRVDQ-WFASDCNBSA-N 0 1 346.387 2.770 20 5 EFBDMN Cc1cc(N2CCO[C@]3(CCO[C@@H]3C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000280559680 273340965 /nfs/dbraw/zinc/34/09/65/273340965.db2.gz UPTPQBWNUAVVTC-FZKQIMNGSA-N 0 1 343.383 2.836 20 5 EFBDMN CCC(=O)c1ccc(N2C[C@@H](SC)[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000280776775 273365469 /nfs/dbraw/zinc/36/54/69/273365469.db2.gz SKIOBNZAXVIAFW-GDBMZVCRSA-N 0 1 337.445 2.669 20 5 EFBDMN CC[C@@H](NCC1(S(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000280843220 273372823 /nfs/dbraw/zinc/37/28/23/273372823.db2.gz AWFNYPVQUYLQGS-CQSZACIVSA-N 0 1 326.418 2.603 20 5 EFBDMN CN(CCCOCc1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000281841935 273475828 /nfs/dbraw/zinc/47/58/28/273475828.db2.gz YNVRSJLMKDBNFT-UHFFFAOYSA-N 0 1 344.367 2.979 20 5 EFBDMN CC1=C(Br)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000281936430 273490229 /nfs/dbraw/zinc/49/02/29/273490229.db2.gz WHHARSHEZLSYRV-UHFFFAOYSA-N 0 1 341.161 2.815 20 5 EFBDMN CCC(CC)(CCO)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000282363213 273552010 /nfs/dbraw/zinc/55/20/10/273552010.db2.gz DKMKDLPSXAPDNB-UHFFFAOYSA-N 0 1 334.376 2.676 20 5 EFBDMN CCC(CC)(CCO)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282472470 273567711 /nfs/dbraw/zinc/56/77/11/273567711.db2.gz NWXAZECFOFEQAW-UHFFFAOYSA-N 0 1 334.376 2.676 20 5 EFBDMN O=C(Nc1ccccc1)N1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000282995136 273651672 /nfs/dbraw/zinc/65/16/72/273651672.db2.gz NGJMUERIVFLDFV-MRXNPFEDSA-N 0 1 340.383 2.991 20 5 EFBDMN COc1ccc([C@@H](CCO)NCc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000283232930 273689569 /nfs/dbraw/zinc/68/95/69/273689569.db2.gz UGLQCRUGZHLRLE-MRXNPFEDSA-N 0 1 334.347 2.956 20 5 EFBDMN CC[C@@H](C)N1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413321740 273716488 /nfs/dbraw/zinc/71/64/88/273716488.db2.gz RJPMMVUYALSIMG-SNVBAGLBSA-N 0 1 332.326 2.929 20 5 EFBDMN COCC(C)(C)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000425278789 274017212 /nfs/dbraw/zinc/01/72/12/274017212.db2.gz ZOGLNDBKGWELPQ-UHFFFAOYSA-N 0 1 327.812 2.795 20 5 EFBDMN C[C@H](NCC1(S(C)(=O)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000285565559 274026659 /nfs/dbraw/zinc/02/66/59/274026659.db2.gz GHRLZGXSRBMBOG-LBPRGKRZSA-N 0 1 326.418 2.603 20 5 EFBDMN C[C@H](O)C[C@H]1CCCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286091564 274131510 /nfs/dbraw/zinc/13/15/10/274131510.db2.gz SVRTUASDAQWTOF-UONOGXRCSA-N 0 1 335.404 2.549 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)[C@@H]1CCC[C@H]1O ZINC000286261138 274164435 /nfs/dbraw/zinc/16/44/35/274164435.db2.gz AXGLSRZATHUKFY-LERXQTSPSA-N 0 1 332.360 2.551 20 5 EFBDMN COc1cc(CN(C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000286348379 274182877 /nfs/dbraw/zinc/18/28/77/274182877.db2.gz FKASFXZMRSCORJ-ZYHUDNBSSA-N 0 1 346.330 2.550 20 5 EFBDMN Cc1n[nH]c([C@H]2CCCN(Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000286412236 274195962 /nfs/dbraw/zinc/19/59/62/274195962.db2.gz LYULXIMZSDXGRA-JTQLQIEISA-N 0 1 337.330 2.679 20 5 EFBDMN Cc1nnc([C@H]2CCCN(Cc3c(F)cc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000286412236 274195966 /nfs/dbraw/zinc/19/59/66/274195966.db2.gz LYULXIMZSDXGRA-JTQLQIEISA-N 0 1 337.330 2.679 20 5 EFBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc(F)cn1 ZINC000341275461 274206396 /nfs/dbraw/zinc/20/63/96/274206396.db2.gz KJGZQHDCDRMRHX-NSHDSACASA-N 0 1 332.335 2.636 20 5 EFBDMN Cc1nc([C@@H](C)Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000286662954 274245768 /nfs/dbraw/zinc/24/57/68/274245768.db2.gz XDXLSQDDQGYNGQ-SNVBAGLBSA-N 0 1 339.359 2.960 20 5 EFBDMN CN(CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000286698511 274254228 /nfs/dbraw/zinc/25/42/28/274254228.db2.gz PUNJKGJQBJWGNN-UHFFFAOYSA-N 0 1 345.399 2.711 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262515239 274277941 /nfs/dbraw/zinc/27/79/41/274277941.db2.gz LATTURYQTXOHBU-KBPBESRZSA-N 0 1 335.404 2.527 20 5 EFBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000090088218 274756520 /nfs/dbraw/zinc/75/65/20/274756520.db2.gz GLWJOKGBPIAUAZ-SNVBAGLBSA-N 0 1 333.310 2.575 20 5 EFBDMN CCCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289560891 274782153 /nfs/dbraw/zinc/78/21/53/274782153.db2.gz FZOVURVLZGBESD-UHFFFAOYSA-N 0 1 326.784 2.808 20 5 EFBDMN Cc1ccccc1CN1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000360270214 274807116 /nfs/dbraw/zinc/80/71/16/274807116.db2.gz DJEKIIKEUOPIQU-UHFFFAOYSA-N 0 1 326.400 2.929 20 5 EFBDMN O=C1Nc2ccccc2[C@@]12CCN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000368713388 275026176 /nfs/dbraw/zinc/02/61/76/275026176.db2.gz VKHGQSTURARORB-SFHVURJKSA-N 0 1 341.342 2.830 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(C2CCOCC2)CC1 ZINC000267013763 275033339 /nfs/dbraw/zinc/03/33/39/275033339.db2.gz HJZQTEGBIASQFX-UHFFFAOYSA-N 0 1 325.796 2.549 20 5 EFBDMN O=[N+]([O-])c1ccc(NCCN2CCSCC2)nc1-c1ccccc1 ZINC000341277760 275035051 /nfs/dbraw/zinc/03/50/51/275035051.db2.gz HXTQNHYZRKRVOQ-UHFFFAOYSA-N 0 1 344.440 2.539 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CCCCS1(=O)=O)CCC2 ZINC000447600049 275037825 /nfs/dbraw/zinc/03/78/25/275037825.db2.gz LNVGMEYCLMBQAQ-HOCLYGCPSA-N 0 1 338.429 2.529 20 5 EFBDMN O=[N+]([O-])c1ccccc1N1CCN(CCCCCn2cccn2)CC1 ZINC000170905556 275040259 /nfs/dbraw/zinc/04/02/59/275040259.db2.gz WLXIIKCFWFBOPE-UHFFFAOYSA-N 0 1 343.431 2.784 20 5 EFBDMN CCC[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CCN1CCOC ZINC000346645221 276049703 /nfs/dbraw/zinc/04/97/03/276049703.db2.gz BLNCHIVEDLVPCK-AWEZNQCLSA-N 0 1 325.384 2.671 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000456523713 276556563 /nfs/dbraw/zinc/55/65/63/276556563.db2.gz FQGZXLDQTNCTQF-QWHCGFSZSA-N 0 1 337.395 2.780 20 5 EFBDMN CO[C@@H]1CCC[C@@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353635481 277647276 /nfs/dbraw/zinc/64/72/76/277647276.db2.gz ZPLQQKYSEZVJJY-OIISXLGYSA-N 0 1 344.415 2.822 20 5 EFBDMN C[C@@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc([N+](=O)[O-])cc1 ZINC000349693254 278357884 /nfs/dbraw/zinc/35/78/84/278357884.db2.gz MORAVBKHBBKUQW-GFCCVEGCSA-N 0 1 325.368 2.732 20 5 EFBDMN C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000043750410 279345917 /nfs/dbraw/zinc/34/59/17/279345917.db2.gz JJXDUTQFIVKVEU-CQSZACIVSA-N 0 1 339.395 2.771 20 5 EFBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000154739585 280166386 /nfs/dbraw/zinc/16/63/86/280166386.db2.gz QJQPTYVHNZCRDU-UHFFFAOYSA-N 0 1 335.379 2.824 20 5 EFBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000072576970 280369735 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O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2[nH]nnc2c1 ZINC000153210764 293365967 /nfs/dbraw/zinc/36/59/67/293365967.db2.gz GXMIURGBXKQTEB-UHFFFAOYSA-N 0 1 331.719 2.701 20 5 EFBDMN CCC[C@@]1(CO)CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000290162933 294015305 /nfs/dbraw/zinc/01/53/05/294015305.db2.gz MBLCGCLHKORTFJ-QGZVFWFLSA-N 0 1 338.404 2.597 20 5 EFBDMN O=C(NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1)C(F)(F)F ZINC000290613489 294135900 /nfs/dbraw/zinc/13/59/00/294135900.db2.gz FUKCYKRAAXVCGX-VIFPVBQESA-N 0 1 349.284 2.629 20 5 EFBDMN CCN(C[C@H](C)OC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000291366252 294360247 /nfs/dbraw/zinc/36/02/47/294360247.db2.gz ZJARRHRPMIYOBP-QWRGUYRKSA-N 0 1 343.811 2.932 20 5 EFBDMN CC(C)(CO)[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000293121281 294883864 /nfs/dbraw/zinc/88/38/64/294883864.db2.gz RMUPLTSWJTWGFY-OAHLLOKOSA-N 0 1 346.387 2.532 20 5 EFBDMN COc1ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293672051 295024978 /nfs/dbraw/zinc/02/49/78/295024978.db2.gz OYOIMPJHMNYLTR-KRWDZBQOSA-N 0 1 332.400 2.994 20 5 EFBDMN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000293733306 295037845 /nfs/dbraw/zinc/03/78/45/295037845.db2.gz MZPRZSPIOITCTG-QWHCGFSZSA-N 0 1 342.399 2.533 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2Cc3ccccc3O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000294153993 295119832 /nfs/dbraw/zinc/11/98/32/295119832.db2.gz LOVVUMLBIOZWDO-NSHDSACASA-N 0 1 344.371 2.865 20 5 EFBDMN COCCN(CC(C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294264701 295137582 /nfs/dbraw/zinc/13/75/82/295137582.db2.gz GSTIAAZDGYMVSU-UHFFFAOYSA-N 0 1 346.387 2.730 20 5 EFBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000294474329 295172814 /nfs/dbraw/zinc/17/28/14/295172814.db2.gz BEKGBGQFVUAUKR-BJOHPYRUSA-N 0 1 348.380 2.794 20 5 EFBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294476088 295173208 /nfs/dbraw/zinc/17/32/08/295173208.db2.gz VIONTTATKBYTBU-UHFFFAOYSA-N 0 1 348.447 2.521 20 5 EFBDMN Cc1ccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N2CCCC2)o1 ZINC000294686363 295207855 /nfs/dbraw/zinc/20/78/55/295207855.db2.gz XCHKONUQCOPCOA-CQSZACIVSA-N 0 1 337.420 2.677 20 5 EFBDMN CCC[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCO1 ZINC000294875336 295239887 /nfs/dbraw/zinc/23/98/87/295239887.db2.gz FEOWIHPLQXTHMQ-CQSZACIVSA-N 0 1 344.371 2.626 20 5 EFBDMN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(C)(C)CO ZINC000295139882 295273581 /nfs/dbraw/zinc/27/35/81/295273581.db2.gz BZDJQTOGBZNHGU-JTQLQIEISA-N 0 1 343.811 2.526 20 5 EFBDMN C[C@H]1CSCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000295193691 295280465 /nfs/dbraw/zinc/28/04/65/295280465.db2.gz RKVAZHGOZNIOAA-LLVKDONJSA-N 0 1 346.412 2.810 20 5 EFBDMN C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000295275228 295291836 /nfs/dbraw/zinc/29/18/36/295291836.db2.gz HGFWSNNIXNSMDB-CYBMUJFWSA-N 0 1 349.456 2.630 20 5 EFBDMN CC[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCS1 ZINC000295287341 295293853 /nfs/dbraw/zinc/29/38/53/295293853.db2.gz MQEICLBXDPBRRI-ZDUSSCGKSA-N 0 1 346.412 2.953 20 5 EFBDMN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295371379 295308386 /nfs/dbraw/zinc/30/83/86/295308386.db2.gz OSQPOFDNVCDYIG-NSHDSACASA-N 0 1 337.807 2.805 20 5 EFBDMN C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295369366 295308548 /nfs/dbraw/zinc/30/85/48/295308548.db2.gz OSQPOFDNVCDYIG-LLVKDONJSA-N 0 1 337.807 2.805 20 5 EFBDMN CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295423667 295318021 /nfs/dbraw/zinc/31/80/21/295318021.db2.gz WBKWXEGOFUIIDG-DGCLKSJQSA-N 0 1 344.371 2.624 20 5 EFBDMN CC(C)N1CCC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295463803 295324736 /nfs/dbraw/zinc/32/47/36/295324736.db2.gz XNQTXABDGGEBBS-OAHLLOKOSA-N 0 1 347.415 2.547 20 5 EFBDMN CSC[C@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295592290 295346212 /nfs/dbraw/zinc/34/62/12/295346212.db2.gz XPCZIWOOHHHEIU-CYBMUJFWSA-N 0 1 346.412 2.953 20 5 EFBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC=C(c3cccnc3)C2)c1 ZINC000295693875 295362217 /nfs/dbraw/zinc/36/22/17/295362217.db2.gz DRDRTTPGXPRETC-GOSISDBHSA-N 0 1 325.368 2.813 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000296054511 295418084 /nfs/dbraw/zinc/41/80/84/295418084.db2.gz BYGYXZBRPIFKFW-LBPRGKRZSA-N 0 1 336.392 2.551 20 5 EFBDMN CCn1cc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000296229062 295444703 /nfs/dbraw/zinc/44/47/03/295444703.db2.gz WMEGOXOYPHAHOS-CHWSQXEVSA-N 0 1 345.403 2.797 20 5 EFBDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000263094312 297343759 /nfs/dbraw/zinc/34/37/59/297343759.db2.gz UYIDRYMNXBNRHA-KOLCDFICSA-N 0 1 344.314 2.739 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000360031968 302051091 /nfs/dbraw/zinc/05/10/91/302051091.db2.gz RAIADMOWKVOMIF-UHFFFAOYSA-N 0 1 347.396 2.978 20 5 EFBDMN COc1ccc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180407619 310799016 /nfs/dbraw/zinc/79/90/16/310799016.db2.gz FCJHOOOWZATNQO-LBPRGKRZSA-N 0 1 329.356 2.893 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000296604274 310829245 /nfs/dbraw/zinc/82/92/45/310829245.db2.gz HRXZIOHDBBEIRC-GFCCVEGCSA-N 0 1 336.392 2.551 20 5 EFBDMN CC1CCN(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298774651 311022486 /nfs/dbraw/zinc/02/24/86/311022486.db2.gz GPVHKJPFYPEBPA-UHFFFAOYSA-N 0 1 331.372 2.803 20 5 EFBDMN C[C@H](NCC(=O)N(C)Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000299725515 311114462 /nfs/dbraw/zinc/11/44/62/311114462.db2.gz UKMDWBWKDIHGIS-LBPRGKRZSA-N 0 1 333.413 2.966 20 5 EFBDMN CC(C)CN1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000301113571 311119634 /nfs/dbraw/zinc/11/96/34/311119634.db2.gz XVBILUBRTGGVKE-UHFFFAOYSA-N 0 1 348.447 2.511 20 5 EFBDMN COc1cc(NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301342103 311132605 /nfs/dbraw/zinc/13/26/05/311132605.db2.gz GMASYATZYLMQGT-CHWSQXEVSA-N 0 1 337.420 2.903 20 5 EFBDMN Cc1cccc(CN2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)c1 ZINC000301661490 311150437 /nfs/dbraw/zinc/15/04/37/311150437.db2.gz UOCSPKPOWFTUSC-UHFFFAOYSA-N 0 1 326.400 2.929 20 5 EFBDMN COc1cc(NC[C@@H]2CN(CC(C)C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301970339 311169453 /nfs/dbraw/zinc/16/94/53/311169453.db2.gz RHYAJPYWZXOGBS-GFCCVEGCSA-N 0 1 341.383 2.511 20 5 EFBDMN Cc1cc(N2CCC(CCCN3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000302042296 311174232 /nfs/dbraw/zinc/17/42/32/311174232.db2.gz RXYPVLQOTFBMCG-UHFFFAOYSA-N 0 1 348.447 2.627 20 5 EFBDMN CCN1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000302168643 311182057 /nfs/dbraw/zinc/18/20/57/311182057.db2.gz KQFXKVJSLKLJSV-UHFFFAOYSA-N 0 1 342.399 2.711 20 5 EFBDMN CNC(=O)c1ccc(Nc2cc3cn[nH]c3cc2C)c([N+](=O)[O-])c1 ZINC000302646337 311195273 /nfs/dbraw/zinc/19/52/73/311195273.db2.gz ATEDZAWCNKIKGH-UHFFFAOYSA-N 0 1 325.328 2.883 20 5 EFBDMN C[C@@H]1CN(CCN(C)c2ccc([N+](=O)[O-])c3cnccc32)C[C@H](C)O1 ZINC000302856852 311204626 /nfs/dbraw/zinc/20/46/26/311204626.db2.gz MFVXOJXUOSKLOV-OKILXGFUSA-N 0 1 344.415 2.688 20 5 EFBDMN CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319429718 311236866 /nfs/dbraw/zinc/23/68/66/311236866.db2.gz GRFIQYAHDQFAJL-ZYHUDNBSSA-N 0 1 330.381 2.981 20 5 EFBDMN C[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319570140 311236874 /nfs/dbraw/zinc/23/68/74/311236874.db2.gz STFITTPLGMWBDM-MNOVXSKESA-N 0 1 330.381 2.839 20 5 EFBDMN C[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319570146 311237197 /nfs/dbraw/zinc/23/71/97/311237197.db2.gz STFITTPLGMWBDM-WDEREUQCSA-N 0 1 330.381 2.839 20 5 EFBDMN CCNc1ccc(C(=O)N2C[C@H]3CCCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000327206453 311244913 /nfs/dbraw/zinc/24/49/13/311244913.db2.gz QCVHOWVBIQEGMK-UKRRQHHQSA-N 0 1 346.431 2.725 20 5 EFBDMN CCN1C[C@@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C1 ZINC000330813858 311336481 /nfs/dbraw/zinc/33/64/81/311336481.db2.gz FOKJKTMIKVWYLH-BETUJISGSA-N 0 1 345.403 2.559 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(C)(C)OC[C@@H]1C ZINC000331125641 311355596 /nfs/dbraw/zinc/35/55/96/311355596.db2.gz HMYKLQQRKUNSKZ-ZDUSSCGKSA-N 0 1 335.404 2.731 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1O ZINC000360611109 311921351 /nfs/dbraw/zinc/92/13/51/311921351.db2.gz BWARQXZHOORUMB-UHFFFAOYSA-N 0 1 340.332 2.803 20 5 EFBDMN CCOC(=O)c1c[nH]c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000415652753 312162890 /nfs/dbraw/zinc/16/28/90/312162890.db2.gz VOINDVWOVHXBOY-UHFFFAOYSA-N 0 1 346.343 2.870 20 5 EFBDMN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309766 312206780 /nfs/dbraw/zinc/20/67/80/312206780.db2.gz KANJGFIBQDFCNZ-BLLLJJGKSA-N 0 1 340.445 2.775 20 5 EFBDMN Cc1ncc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(=O)[nH]1 ZINC000417340030 312211217 /nfs/dbraw/zinc/21/12/17/312211217.db2.gz JHODIPMQFLVUQF-MRXNPFEDSA-N 0 1 328.372 2.956 20 5 EFBDMN O=C(CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)NCC(F)(F)F ZINC000417339986 312211259 /nfs/dbraw/zinc/21/12/59/312211259.db2.gz LPGKDHNITGAUOT-ZDUSSCGKSA-N 0 1 345.321 2.630 20 5 EFBDMN CCC[C@@H]1CNCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417719338 312261038 /nfs/dbraw/zinc/26/10/38/312261038.db2.gz PUEUIGUZNBITTI-QGZVFWFLSA-N 0 1 348.447 2.701 20 5 EFBDMN COCCCOC1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430217110 312545137 /nfs/dbraw/zinc/54/51/37/312545137.db2.gz GTWUQFDBAGWJNS-UHFFFAOYSA-N 0 1 338.404 2.621 20 5 EFBDMN Cc1ccc(-c2nnco2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432447870 312566370 /nfs/dbraw/zinc/56/63/70/312566370.db2.gz GUHBQDUFMISMOJ-UHFFFAOYSA-N 0 1 340.295 2.911 20 5 EFBDMN CC(C)(C)c1nc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[nH]1 ZINC000458029836 313059038 /nfs/dbraw/zinc/05/90/38/313059038.db2.gz VSYKYEPWBRKBMO-UHFFFAOYSA-N 0 1 337.767 2.594 20 5 EFBDMN CO[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1OC ZINC000488545989 313494700 /nfs/dbraw/zinc/49/47/00/313494700.db2.gz PWHPIMYNWNZSJF-IAGOWNOFSA-N 0 1 332.356 2.700 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000496440497 315067504 /nfs/dbraw/zinc/06/75/04/315067504.db2.gz SUTQICJPRWBXLS-OVHOFWQVSA-N 0 1 333.388 2.771 20 5 EFBDMN CC(C)(C)OC(=O)NC1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1 ZINC000496917744 315242664 /nfs/dbraw/zinc/24/26/64/315242664.db2.gz CRISIAMRJPTTBZ-UHFFFAOYSA-N 0 1 339.348 2.527 20 5 EFBDMN C[C@@H](C(=O)Nc1cc(CN(C)C)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000518641910 315821885 /nfs/dbraw/zinc/82/18/85/315821885.db2.gz PBFXSKXNDXYGMJ-GFCCVEGCSA-N 0 1 328.372 2.794 20 5 EFBDMN CNc1ccc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000525287031 316205613 /nfs/dbraw/zinc/20/56/13/316205613.db2.gz ZSORVFMMVVMYJP-UHFFFAOYSA-N 0 1 339.355 2.751 20 5 EFBDMN COc1ccc(OCCN2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000525786401 316237269 /nfs/dbraw/zinc/23/72/69/316237269.db2.gz BAVSNKGTLYDCHZ-TXEJJXNPSA-N 0 1 326.418 2.808 20 5 EFBDMN CCc1ccccc1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000527324088 316368137 /nfs/dbraw/zinc/36/81/37/316368137.db2.gz BTXWNOFIPFDGIL-UHFFFAOYSA-N 0 1 326.400 2.874 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000530590484 317151222 /nfs/dbraw/zinc/15/12/22/317151222.db2.gz CLZINPONQBPWAZ-AWEZNQCLSA-N 0 1 336.779 2.609 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2ccccn2)c1 ZINC000531200680 317234287 /nfs/dbraw/zinc/23/42/87/317234287.db2.gz PCLLKAZTALVOJH-CRAIPNDOSA-N 0 1 343.383 2.567 20 5 EFBDMN COC[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000541594042 317782541 /nfs/dbraw/zinc/78/25/41/317782541.db2.gz NDGHIVRANSXNKO-SMDDNHRTSA-N 0 1 334.376 2.966 20 5 EFBDMN CC[C@@](C)(NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(F)(F)F ZINC000547818824 318045628 /nfs/dbraw/zinc/04/56/28/318045628.db2.gz SBBJIQZMDJLRON-LLVKDONJSA-N 0 1 340.323 2.913 20 5 EFBDMN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000550175421 318189504 /nfs/dbraw/zinc/18/95/04/318189504.db2.gz SRCNODSVSCHDIK-IFIJOSMWSA-N 0 1 346.383 2.841 20 5 EFBDMN CN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1(C)C ZINC000550660412 318195703 /nfs/dbraw/zinc/19/57/03/318195703.db2.gz OQKUBVSPFNLTKG-UHFFFAOYSA-N 0 1 330.388 2.776 20 5 EFBDMN CNc1ccc(C(=O)N2CCC(c3cn[nH]c3C)CC2)cc1[N+](=O)[O-] ZINC000552412465 318255576 /nfs/dbraw/zinc/25/55/76/318255576.db2.gz YUDCRWTXTMOKDC-UHFFFAOYSA-N 0 1 343.387 2.688 20 5 EFBDMN CN(Cc1ccc2c(c1)OCCO2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555295816 318351981 /nfs/dbraw/zinc/35/19/81/318351981.db2.gz BXRKLRCIAVTVTC-UHFFFAOYSA-N 0 1 330.340 2.704 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000555364853 318354883 /nfs/dbraw/zinc/35/48/83/318354883.db2.gz ZUENQLBUCYXGMG-LBPRGKRZSA-N 0 1 334.294 2.844 20 5 EFBDMN O=[N+]([O-])c1cc(Br)ccc1SCCc1c[nH]nn1 ZINC000555874345 318372477 /nfs/dbraw/zinc/37/24/77/318372477.db2.gz WOXVOXZOQMLFNV-UHFFFAOYSA-N 0 1 329.179 2.810 20 5 EFBDMN C[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CC(C)C1 ZINC000563410471 318781817 /nfs/dbraw/zinc/78/18/17/318781817.db2.gz XRKPCDZZJMYQSP-HOCLYGCPSA-N 0 1 331.416 2.641 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000566007121 319022983 /nfs/dbraw/zinc/02/29/83/319022983.db2.gz GQKGFKIIXMTVPW-GJZGRUSLSA-N 0 1 347.415 2.733 20 5 EFBDMN CCc1ccccc1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566115225 319035113 /nfs/dbraw/zinc/03/51/13/319035113.db2.gz IAXOEZFEOZXSBU-UHFFFAOYSA-N 0 1 348.424 2.721 20 5 EFBDMN O=C([O-])c1cc(NCC[N@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000566295205 319059311 /nfs/dbraw/zinc/05/93/11/319059311.db2.gz PUXLWKGWVUGLER-UHFFFAOYSA-N 0 1 347.396 2.825 20 5 EFBDMN O=[N+]([O-])c1ccc([C@H](NCc2n[nH]c(C3CC3)n2)C(F)(F)F)cc1 ZINC000566919325 319122124 /nfs/dbraw/zinc/12/21/24/319122124.db2.gz QDWAVRDYGFCJDD-LBPRGKRZSA-N 0 1 341.293 2.984 20 5 EFBDMN C[C@H]1CCCC[N@H+]1CCCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567052406 319134417 /nfs/dbraw/zinc/13/44/17/319134417.db2.gz ZIFUJUFXULDFFF-LBPRGKRZSA-N 0 1 336.392 2.755 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)OC2(CCC2)C1 ZINC000567810902 319213633 /nfs/dbraw/zinc/21/36/33/319213633.db2.gz LSRMVVBLCOBDIX-AWEZNQCLSA-N 0 1 347.415 2.875 20 5 EFBDMN COc1cc(CN[C@H]2CO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000567905253 319224362 /nfs/dbraw/zinc/22/43/62/319224362.db2.gz NRIUUDKGPQOAKM-MWLCHTKSSA-N 0 1 346.330 2.514 20 5 EFBDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000568072422 319243965 /nfs/dbraw/zinc/24/39/65/319243965.db2.gz AQQNYSSCKAEKAK-HZMBPMFUSA-N 0 1 331.328 2.545 20 5 EFBDMN Cc1c(NC(=O)CCN2C[C@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000577629946 320130191 /nfs/dbraw/zinc/13/01/91/320130191.db2.gz WVSYGWLNBBKRBI-ZDUSSCGKSA-N 0 1 347.415 2.875 20 5 EFBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000578242981 320188605 /nfs/dbraw/zinc/18/86/05/320188605.db2.gz WQMMKLZPHGVOMT-QGZVFWFLSA-N 0 1 345.355 2.589 20 5 EFBDMN N=C1Nc2nc3ccccc3n2[C@@H](c2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000181356318 323233025 /nfs/dbraw/zinc/23/30/25/323233025.db2.gz GMTSEFOOINKWTE-ZDUSSCGKSA-N 0 1 342.746 2.694 20 5 EFBDMN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1c(F)cccc1Cl ZINC000181733438 323247674 /nfs/dbraw/zinc/24/76/74/323247674.db2.gz ULUSQSLRGCPLCW-SNVBAGLBSA-N 0 1 339.754 2.900 20 5 EFBDMN Cc1ccc([C@@H](C)NCC(=O)NC(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000181839024 323252813 /nfs/dbraw/zinc/25/28/13/323252813.db2.gz QAGBELNOBDRZBP-GFCCVEGCSA-N 0 1 331.416 2.859 20 5 EFBDMN CC[C@@H](C)CN(CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181947771 323256661 /nfs/dbraw/zinc/25/66/61/323256661.db2.gz ADKVUSSOFMNPOO-CYBMUJFWSA-N 0 1 328.434 2.737 20 5 EFBDMN CC[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCO1 ZINC000182287784 323274917 /nfs/dbraw/zinc/27/49/17/323274917.db2.gz QOVKZCGCWHGDHX-ZIAGYGMSSA-N 0 1 332.360 2.692 20 5 EFBDMN CC[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCO1 ZINC000182370149 323279698 /nfs/dbraw/zinc/27/96/98/323279698.db2.gz XJSDYTTYJANNSN-UONOGXRCSA-N 0 1 332.360 2.692 20 5 EFBDMN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184683496 323371302 /nfs/dbraw/zinc/37/13/02/323371302.db2.gz KSINBIZGHSWPEE-HNNXBMFYSA-N 0 1 347.371 2.802 20 5 EFBDMN C[C@H](C(=O)Nc1ccc2[nH]nnc2c1)c1ccc([N+](=O)[O-])cc1F ZINC000184928568 323378279 /nfs/dbraw/zinc/37/82/79/323378279.db2.gz LMDZUWMWIWCGFE-QMMMGPOBSA-N 0 1 329.291 2.747 20 5 EFBDMN C[C@@H](C(=O)Nc1nc(-c2ccco2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000185800476 323398288 /nfs/dbraw/zinc/39/82/88/323398288.db2.gz BGUYBKGRJSIAFD-MRVPVSSYSA-N 0 1 345.290 2.854 20 5 EFBDMN CN(Cc1ccccc1)C(=O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579004188 323862991 /nfs/dbraw/zinc/86/29/91/323862991.db2.gz FZZMRICXUPHDIV-QGZVFWFLSA-N 0 1 339.395 2.830 20 5 EFBDMN CC(C)C[N@H+]1CCCC[C@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581194234 324325895 /nfs/dbraw/zinc/32/58/95/324325895.db2.gz XSQMETQNYSTHER-LBPRGKRZSA-N 0 1 336.392 2.610 20 5 EFBDMN CC(C)n1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000581290037 324343630 /nfs/dbraw/zinc/34/36/30/324343630.db2.gz NXODQDBFSVHABK-CABCVRRESA-N 0 1 332.408 2.842 20 5 EFBDMN Cc1cc(C(=O)NC[C@@H](c2cccs2)N(C)C)c(N)c([N+](=O)[O-])c1 ZINC000068510120 472203040 /nfs/dbraw/zinc/20/30/40/472203040.db2.gz TVKDUUYWJOACJI-ZDUSSCGKSA-N 0 1 348.428 2.580 20 5 EFBDMN CCO[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000155450187 472551515 /nfs/dbraw/zinc/55/15/15/472551515.db2.gz YQAKCZAMLGKMRG-KRWDZBQOSA-N 0 1 344.415 2.996 20 5 EFBDMN C[C@H](CN1CCN(C)CC1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000124141217 473214893 /nfs/dbraw/zinc/21/48/93/473214893.db2.gz GKROCJHOCNGWBF-SNVBAGLBSA-N 0 1 347.246 2.949 20 5 EFBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000138459386 473219329 /nfs/dbraw/zinc/21/93/29/473219329.db2.gz SXEAONIIFCUGRN-ZETCQYMHSA-N 0 1 328.250 2.828 20 5 EFBDMN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000111631023 473220123 /nfs/dbraw/zinc/22/01/23/473220123.db2.gz XQVHWEWQNMASSB-CYBMUJFWSA-N 0 1 343.383 2.551 20 5 EFBDMN C[C@@H]1[C@H](C)OCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000139126252 473227330 /nfs/dbraw/zinc/22/73/30/473227330.db2.gz JJBSJDOJJMFJPA-OLZOCXBDSA-N 0 1 331.372 2.902 20 5 EFBDMN O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000140119427 473242655 /nfs/dbraw/zinc/24/26/55/473242655.db2.gz QMGRBGHGLKBEIQ-LBPRGKRZSA-N 0 1 348.428 2.626 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1Cc2ccccc2C1 ZINC000141268384 473252581 /nfs/dbraw/zinc/25/25/81/473252581.db2.gz ZSWUMODKLDGJLM-UHFFFAOYSA-N 0 1 339.395 2.941 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1Cc2ccccc2C1 ZINC000141268384 473252587 /nfs/dbraw/zinc/25/25/87/473252587.db2.gz ZSWUMODKLDGJLM-UHFFFAOYSA-N 0 1 339.395 2.941 20 5 EFBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000124601487 473271637 /nfs/dbraw/zinc/27/16/37/473271637.db2.gz NDVFVYFMMDNHBB-ZDUSSCGKSA-N 0 1 325.328 2.747 20 5 EFBDMN COc1cc(CNCCSC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000171128320 473295162 /nfs/dbraw/zinc/29/51/62/473295162.db2.gz YSARSJCFWQYMGM-UHFFFAOYSA-N 0 1 340.323 2.955 20 5 EFBDMN O=c1[nH]c(Cc2nc3ccc[nH]c-3n2)nc2cc3ccccc3cc21 ZINC000150715686 473339033 /nfs/dbraw/zinc/33/90/33/473339033.db2.gz ASJPNYSXAXFOBI-UHFFFAOYSA-N 0 1 327.347 2.938 20 5 EFBDMN COCCN1CCC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000616059399 469360042 /nfs/dbraw/zinc/36/00/42/469360042.db2.gz QGIIMFXATOMIGV-AWEZNQCLSA-N 0 1 330.388 2.666 20 5 EFBDMN CCO[C@@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000150784584 473355120 /nfs/dbraw/zinc/35/51/20/473355120.db2.gz OSBWUIPKTKKKOG-UONOGXRCSA-N 0 1 344.371 2.549 20 5 EFBDMN COc1cc(CN2CCS[C@@H](C)CC2)c([N+](=O)[O-])cc1OC ZINC000190690447 473362389 /nfs/dbraw/zinc/36/23/89/473362389.db2.gz XBQWQNGGHVHVHG-NSHDSACASA-N 0 1 326.418 2.939 20 5 EFBDMN CCn1cc(S(=O)(=O)Nc2ccc(C)cc2Cl)c([N+](=O)[O-])n1 ZINC000435728376 477359915 /nfs/dbraw/zinc/35/99/15/477359915.db2.gz LCHROUCBIAUSAM-UHFFFAOYSA-N 0 1 344.780 2.574 20 5 EFBDMN Cc1cc(Br)c(CNCCn2cc([N+](=O)[O-])cn2)s1 ZINC000453562963 477237887 /nfs/dbraw/zinc/23/78/87/477237887.db2.gz CPDHIAXYHKFFFY-UHFFFAOYSA-N 0 1 345.222 2.714 20 5 EFBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000003897228 471457321 /nfs/dbraw/zinc/45/73/21/471457321.db2.gz VAORXNFHBAQNHT-UHFFFAOYSA-N 0 1 337.313 2.612 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1C ZINC000009115930 471711294 /nfs/dbraw/zinc/71/12/94/471711294.db2.gz XXDDNOSZCYDSMG-UHFFFAOYSA-N 0 1 346.368 2.889 20 5 EFBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000009834733 471721712 /nfs/dbraw/zinc/72/17/12/471721712.db2.gz HHOAXKFNRSHYNB-INIZCTEOSA-N 0 1 343.383 2.684 20 5 EFBDMN COc1cccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N(C)C)c1 ZINC000010018063 471726585 /nfs/dbraw/zinc/72/65/85/471726585.db2.gz MTBJLADUAPCGKR-QGZVFWFLSA-N 0 1 343.383 2.636 20 5 EFBDMN C[C@@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011472868 471752368 /nfs/dbraw/zinc/75/23/68/471752368.db2.gz DKFGUSWGPREQBL-MRVPVSSYSA-N 0 1 333.373 2.710 20 5 EFBDMN C[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011472868 471752372 /nfs/dbraw/zinc/75/23/72/471752372.db2.gz DKFGUSWGPREQBL-MRVPVSSYSA-N 0 1 333.373 2.710 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C2CC2)n[nH]1 ZINC000011470579 471752680 /nfs/dbraw/zinc/75/26/80/471752680.db2.gz VZXFQTZLXBMAKY-UHFFFAOYSA-N 0 1 333.373 2.630 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(C2CC2)n1 ZINC000011470579 471752686 /nfs/dbraw/zinc/75/26/86/471752686.db2.gz VZXFQTZLXBMAKY-UHFFFAOYSA-N 0 1 333.373 2.630 20 5 EFBDMN C[C@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011470230 471752710 /nfs/dbraw/zinc/75/27/10/471752710.db2.gz JQFPKAIRQLLATJ-QMMMGPOBSA-N 0 1 333.373 2.710 20 5 EFBDMN C[C@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011470230 471752714 /nfs/dbraw/zinc/75/27/14/471752714.db2.gz JQFPKAIRQLLATJ-QMMMGPOBSA-N 0 1 333.373 2.710 20 5 EFBDMN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000015539894 471908348 /nfs/dbraw/zinc/90/83/48/471908348.db2.gz NWJXKMZTFZJNJW-KRWDZBQOSA-N 0 1 339.395 2.908 20 5 EFBDMN CCOc1ccccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000054143593 472062127 /nfs/dbraw/zinc/06/21/27/472062127.db2.gz PZLUBJKMOAOADE-UHFFFAOYSA-N 0 1 340.339 2.800 20 5 EFBDMN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000025633171 472104470 /nfs/dbraw/zinc/10/44/70/472104470.db2.gz SCDCISIVEMYOSA-CQSZACIVSA-N 0 1 339.395 2.771 20 5 EFBDMN CCc1nc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000026155204 472125634 /nfs/dbraw/zinc/12/56/34/472125634.db2.gz JQQLKFKOJMGHCU-UHFFFAOYSA-N 0 1 341.780 2.660 20 5 EFBDMN CCc1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000026155204 472125639 /nfs/dbraw/zinc/12/56/39/472125639.db2.gz JQQLKFKOJMGHCU-UHFFFAOYSA-N 0 1 341.780 2.660 20 5 EFBDMN COc1ccc(NC(=O)CCN(C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000026227522 472127936 /nfs/dbraw/zinc/12/79/36/472127936.db2.gz KSXGXCDOMWSZTI-UHFFFAOYSA-N 0 1 333.344 2.657 20 5 EFBDMN C[C@@H](N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000027135062 472163369 /nfs/dbraw/zinc/16/33/69/472163369.db2.gz OYVMFMXKBLHFOI-SNVBAGLBSA-N 0 1 337.376 2.628 20 5 EFBDMN O=[N+]([O-])c1ccccc1CN1CCN(CCc2ccccc2)CC1 ZINC000055378884 472176096 /nfs/dbraw/zinc/17/60/96/472176096.db2.gz QZGGLOAPLNSGJI-UHFFFAOYSA-N 0 1 325.412 2.955 20 5 EFBDMN COCc1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000055595299 472209381 /nfs/dbraw/zinc/20/93/81/472209381.db2.gz NWRXMFOSIBBYSI-UHFFFAOYSA-N 0 1 336.369 2.850 20 5 EFBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000056197390 472292306 /nfs/dbraw/zinc/29/23/06/472292306.db2.gz GASUEFNHTHIWNY-UONOGXRCSA-N 0 1 327.384 2.950 20 5 EFBDMN CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000030542425 472338096 /nfs/dbraw/zinc/33/80/96/472338096.db2.gz WADVCNFOBBGWDA-MRXNPFEDSA-N 0 1 343.339 2.895 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN(C[C@H]3CCOC3)C3CC3)n2)c1 ZINC000044938001 472355085 /nfs/dbraw/zinc/35/50/85/472355085.db2.gz UGJAWNNDHPHDHA-GFCCVEGCSA-N 0 1 344.371 2.646 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1N1CCN(CCc2cccs2)CC1 ZINC000076666088 472383119 /nfs/dbraw/zinc/38/31/19/472383119.db2.gz JDIKVBWPSDUOOO-UHFFFAOYSA-N 0 1 332.429 2.724 20 5 EFBDMN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCOC1 ZINC000076719566 472390538 /nfs/dbraw/zinc/39/05/38/472390538.db2.gz QXJVLXBQYGHNGP-LBPRGKRZSA-N 0 1 332.360 2.503 20 5 EFBDMN C[C@@H](NCCS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000154150707 472395571 /nfs/dbraw/zinc/39/55/71/472395571.db2.gz SSUWGPMEMLMOFL-CYBMUJFWSA-N 0 1 334.397 2.719 20 5 EFBDMN C[C@@H](CNc1ccc([N+](=O)[O-])nc1)N1CCN(c2ccccc2)CC1 ZINC000076744485 472397039 /nfs/dbraw/zinc/39/70/39/472397039.db2.gz DNZSMQMEXVMEJM-HNNXBMFYSA-N 0 1 341.415 2.612 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCc3ccccc3CC2)c1[N+](=O)[O-] ZINC000116454978 472410934 /nfs/dbraw/zinc/41/09/34/472410934.db2.gz QAEGMCYDRKVNAT-UHFFFAOYSA-N 0 1 328.372 2.511 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1ccncc1 ZINC000032320704 472422609 /nfs/dbraw/zinc/42/26/09/472422609.db2.gz ZKHKVRBJTNGENM-OAHLLOKOSA-N 0 1 337.339 2.843 20 5 EFBDMN CN(C)[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000045624136 472435090 /nfs/dbraw/zinc/43/50/90/472435090.db2.gz VFPVQSIICLZWHQ-HNNXBMFYSA-N 0 1 348.428 2.758 20 5 EFBDMN COc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1[N+](=O)[O-] ZINC000097083372 472437473 /nfs/dbraw/zinc/43/74/73/472437473.db2.gz IIBVCBNPBXUSJT-UHFFFAOYSA-N 0 1 330.275 2.871 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000128539816 472465514 /nfs/dbraw/zinc/46/55/14/472465514.db2.gz VRQVQKXQXPFSRX-UHFFFAOYSA-N 0 1 344.751 2.866 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)[C@@H]2C[C@@H](OCC)C2(C)C)c1[N+](=O)[O-] ZINC000154806206 472474389 /nfs/dbraw/zinc/47/43/89/472474389.db2.gz UCNJUFOXHLVOEB-VXGBXAGGSA-N 0 1 338.408 2.546 20 5 EFBDMN CCO[C@@H]1C[C@@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000154836523 472477372 /nfs/dbraw/zinc/47/73/72/472477372.db2.gz JQFWVEYLFDALMN-ZIAGYGMSSA-N 0 1 346.387 2.747 20 5 EFBDMN C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000057838277 472482091 /nfs/dbraw/zinc/48/20/91/472482091.db2.gz ZDKNTNGARXMLCS-NSHDSACASA-N 0 1 346.353 2.661 20 5 EFBDMN Cc1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000118640197 472503085 /nfs/dbraw/zinc/50/30/85/472503085.db2.gz LBZYGOTYYNRURD-UHFFFAOYSA-N 0 1 347.415 2.877 20 5 EFBDMN O=C(CC1(N2CCOCC2)CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000118640192 472503373 /nfs/dbraw/zinc/50/33/73/472503373.db2.gz NAPKOUVESYKWKP-UHFFFAOYSA-N 0 1 333.388 2.568 20 5 EFBDMN CCNc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000070706353 472505245 /nfs/dbraw/zinc/50/52/45/472505245.db2.gz TZKHSNFHSVYHKU-UHFFFAOYSA-N 0 1 325.328 2.577 20 5 EFBDMN Cc1c(NC(=O)CCN2CCO[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000058290683 472537356 /nfs/dbraw/zinc/53/73/56/472537356.db2.gz HOJASRVGCRIZEQ-DLBZAZTESA-N 0 1 347.415 2.875 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cc2ccccc2[nH]1 ZINC000101575731 472542139 /nfs/dbraw/zinc/54/21/39/472542139.db2.gz RELNVIMNPDVDAZ-UHFFFAOYSA-N 0 1 349.343 2.694 20 5 EFBDMN C[C@H](O)[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089927421 472548171 /nfs/dbraw/zinc/54/81/71/472548171.db2.gz ZNUYWMBPFGFGDY-GXTWGEPZSA-N 0 1 331.372 2.843 20 5 EFBDMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119735535 472578970 /nfs/dbraw/zinc/57/89/70/472578970.db2.gz AIKOTLBVYOJDSR-CYBMUJFWSA-N 0 1 343.383 2.551 20 5 EFBDMN CC[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068426 472590114 /nfs/dbraw/zinc/59/01/14/472590114.db2.gz BMGYDTVNASEWBL-QWHCGFSZSA-N 0 1 345.321 2.799 20 5 EFBDMN CC(C)C[C@@H]1CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000130303397 472595474 /nfs/dbraw/zinc/59/54/74/472595474.db2.gz SKLGQCYUCYMVAL-LBPRGKRZSA-N 0 1 349.387 2.773 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)c1ccc(F)cc1 ZINC000060358331 472647236 /nfs/dbraw/zinc/64/72/36/472647236.db2.gz YCDACESKAFZYAT-INIZCTEOSA-N 0 1 334.347 2.956 20 5 EFBDMN C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000047189049 472666688 /nfs/dbraw/zinc/66/66/88/472666688.db2.gz SJCZAZJSBKMKGB-ABAIWWIYSA-N 0 1 346.387 2.796 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000104684520 472684545 /nfs/dbraw/zinc/68/45/45/472684545.db2.gz CFWYLRFWQCMTAP-AWEZNQCLSA-N 0 1 349.431 2.857 20 5 EFBDMN CC[C@@H](CSC)N(C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000091097078 472705620 /nfs/dbraw/zinc/70/56/20/472705620.db2.gz QPACHVCRNBRLLK-NSHDSACASA-N 0 1 341.433 2.615 20 5 EFBDMN CC[C@]1(NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000616865554 480005286 /nfs/dbraw/zinc/00/52/86/480005286.db2.gz VJGKLBPTRNSZAM-HNNXBMFYSA-N 0 1 346.330 2.864 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nc(N)cc(N)n1 ZINC000078443276 472716584 /nfs/dbraw/zinc/71/65/84/472716584.db2.gz MJTPZYTZRZEKLG-UHFFFAOYSA-N 0 1 335.389 2.629 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc4cccnc43)CC2)cn1 ZINC000078722722 472759899 /nfs/dbraw/zinc/75/98/99/472759899.db2.gz ARVPKQOZLXNFHQ-UHFFFAOYSA-N 0 1 349.394 2.860 20 5 EFBDMN Cc1[nH]nc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000064334699 472845079 /nfs/dbraw/zinc/84/50/79/472845079.db2.gz NAQWMCQGECQBGS-UHFFFAOYSA-N 0 1 342.277 2.917 20 5 EFBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(Cn2ccnn2)CC1 ZINC000092098030 472859124 /nfs/dbraw/zinc/85/91/24/472859124.db2.gz XWBYEEAFNAAQNK-HWKANZROSA-N 0 1 327.388 2.612 20 5 EFBDMN COC(=O)c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000157799507 472859621 /nfs/dbraw/zinc/85/96/21/472859621.db2.gz MCPUXMCRVAPOFN-UHFFFAOYSA-N 0 1 340.295 2.510 20 5 EFBDMN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)CCC2CC2)c1 ZINC000092262803 472884886 /nfs/dbraw/zinc/88/48/86/472884886.db2.gz DRVWOQGOCJLPFK-UHFFFAOYSA-N 0 1 336.316 2.738 20 5 EFBDMN O=[N+]([O-])c1ccccc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC000064931398 472885882 /nfs/dbraw/zinc/88/58/82/472885882.db2.gz IGYVHBBVYFWJMH-UHFFFAOYSA-N 0 1 347.337 2.686 20 5 EFBDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000073973381 472914677 /nfs/dbraw/zinc/91/46/77/472914677.db2.gz CHHLQBLLNHIVAT-UHFFFAOYSA-N 0 1 333.691 2.879 20 5 EFBDMN Cc1ccc2nc(SCCn3cc([N+](=O)[O-])ccc3=O)[nH]c2c1 ZINC000121826893 472923562 /nfs/dbraw/zinc/92/35/62/472923562.db2.gz SOEADHYGNOVWJH-UHFFFAOYSA-N 0 1 330.369 2.734 20 5 EFBDMN CS[C@H]1CCCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000134548984 472928307 /nfs/dbraw/zinc/92/83/07/472928307.db2.gz DCLSTIGCQLBBOY-JKSUJKDBSA-N 0 1 349.456 2.918 20 5 EFBDMN O=C(C1CCCCC1)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092539375 472931876 /nfs/dbraw/zinc/93/18/76/472931876.db2.gz FBCZILXDMZLFCN-UHFFFAOYSA-N 0 1 347.415 2.525 20 5 EFBDMN Cc1c(NC(=O)CCN2C[C@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000065424225 472939808 /nfs/dbraw/zinc/93/98/08/472939808.db2.gz XWFYRAMFFJZVBW-LBPRGKRZSA-N 0 1 335.404 2.731 20 5 EFBDMN CC(C)CN1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074123987 472946534 /nfs/dbraw/zinc/94/65/34/472946534.db2.gz ARDWHKZIHPWXSA-UHFFFAOYSA-N 0 1 348.447 2.587 20 5 EFBDMN Cc1ccc(S(=O)(=O)Nc2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000158691732 472959855 /nfs/dbraw/zinc/95/98/55/472959855.db2.gz MEWGBCRKUDILTE-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC=C(c3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000092695015 472965498 /nfs/dbraw/zinc/96/54/98/472965498.db2.gz OILBKDFKUPBVLU-UHFFFAOYSA-N 0 1 326.356 2.864 20 5 EFBDMN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CN1Cc1ccccc1 ZINC000134864356 472977315 /nfs/dbraw/zinc/97/73/15/472977315.db2.gz ACALHTFHQDEVBL-OCCSQVGLSA-N 0 1 329.356 2.581 20 5 EFBDMN Cc1nc2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC000065859048 473020261 /nfs/dbraw/zinc/02/02/61/473020261.db2.gz ZNLNVQTVNOWRRS-UHFFFAOYSA-N 0 1 325.328 2.830 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000080406539 473024927 /nfs/dbraw/zinc/02/49/27/473024927.db2.gz YCBZXEBZUHMMHF-ZDUSSCGKSA-N 0 1 337.376 2.828 20 5 EFBDMN O=C(NC1CC1)[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000135169161 473031825 /nfs/dbraw/zinc/03/18/25/473031825.db2.gz YCAVWNCXWWGAQN-GOSISDBHSA-N 0 1 339.395 2.747 20 5 EFBDMN O=C(c1ccc2[nH]nnc2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135187760 473034136 /nfs/dbraw/zinc/03/41/36/473034136.db2.gz LJBGXQIHIYCFTL-UHFFFAOYSA-N 0 1 337.339 2.671 20 5 EFBDMN CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000122637663 473040411 /nfs/dbraw/zinc/04/04/11/473040411.db2.gz IERSCLGFFXEPQQ-INIZCTEOSA-N 0 1 343.383 2.907 20 5 EFBDMN O=[N+]([O-])c1ccccc1CN(C[C@H](O)COCc1ccco1)C1CC1 ZINC000135234019 473041119 /nfs/dbraw/zinc/04/11/19/473041119.db2.gz PZNMDSXYRYVNOW-INIZCTEOSA-N 0 1 346.383 2.730 20 5 EFBDMN COc1cccc(N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000051425993 473048725 /nfs/dbraw/zinc/04/87/25/473048725.db2.gz GFSQBLDGEJOKMY-UHFFFAOYSA-N 0 1 341.411 2.968 20 5 EFBDMN Cc1cc(N2CCN(CCc3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000074742856 473055818 /nfs/dbraw/zinc/05/58/18/473055818.db2.gz DOAXLNRFPADZIX-UHFFFAOYSA-N 0 1 332.429 2.724 20 5 EFBDMN Cc1cc(N[C@H](C)CN2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080617572 473057317 /nfs/dbraw/zinc/05/73/17/473057317.db2.gz LEYCWXFMNOREHX-GFCCVEGCSA-N 0 1 326.828 2.604 20 5 EFBDMN Cc1cc(C(=O)N2CCN(C)CC23CCCCC3)ccc1[N+](=O)[O-] ZINC000080941254 473107947 /nfs/dbraw/zinc/10/79/47/473107947.db2.gz FOXQSUZJULHDFX-UHFFFAOYSA-N 0 1 331.416 2.994 20 5 EFBDMN Cc1ccc(CN2CCC([C@@H](O)c3nccn3C)CC2)cc1[N+](=O)[O-] ZINC000093454590 473110492 /nfs/dbraw/zinc/11/04/92/473110492.db2.gz RMQMJANECSYMBE-QGZVFWFLSA-N 0 1 344.415 2.582 20 5 EFBDMN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1(O)CCCC1 ZINC000093503263 473115021 /nfs/dbraw/zinc/11/50/21/473115021.db2.gz HZYVSELMZOJDBJ-UHFFFAOYSA-N 0 1 330.331 2.933 20 5 EFBDMN Cc1ncsc1CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000066565570 473115132 /nfs/dbraw/zinc/11/51/32/473115132.db2.gz IPHASTZUHZBQKB-UHFFFAOYSA-N 0 1 334.401 2.820 20 5 EFBDMN COc1ccsc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534318 473115611 /nfs/dbraw/zinc/11/56/11/473115611.db2.gz WMQLWCVJTSURPH-LLVKDONJSA-N 0 1 334.401 2.746 20 5 EFBDMN CC(=O)NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000123254218 473117310 /nfs/dbraw/zinc/11/73/10/473117310.db2.gz IJBWKJZNJHXRCT-UHFFFAOYSA-N 0 1 343.383 2.955 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000075049838 473117234 /nfs/dbraw/zinc/11/72/34/473117234.db2.gz LBEHPFJEGBWVSD-UHFFFAOYSA-N 0 1 328.307 2.835 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000075049838 473117238 /nfs/dbraw/zinc/11/72/38/473117238.db2.gz LBEHPFJEGBWVSD-UHFFFAOYSA-N 0 1 328.307 2.835 20 5 EFBDMN O=C(Nc1n[nH]c(-c2cccc3ccccc32)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000135874077 473117423 /nfs/dbraw/zinc/11/74/23/473117423.db2.gz QKZANPOWOKYPGV-UHFFFAOYSA-N 0 1 349.310 2.509 20 5 EFBDMN CC(C)OCCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093586380 473119431 /nfs/dbraw/zinc/11/94/31/473119431.db2.gz DNHRFFIRYPDNBV-FNORWQNLSA-N 0 1 333.432 2.651 20 5 EFBDMN CC(C)(CO)N1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000080983182 473123302 /nfs/dbraw/zinc/12/33/02/473123302.db2.gz TWTWLVDUQDAUDN-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000093613533 473125178 /nfs/dbraw/zinc/12/51/78/473125178.db2.gz QXYUWOKTFLBGNB-DLBZAZTESA-N 0 1 334.416 2.655 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000093637890 473125890 /nfs/dbraw/zinc/12/58/90/473125890.db2.gz QZLDKGQMHAQHCN-LJQANCHMSA-N 0 1 340.379 2.974 20 5 EFBDMN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000093613535 473126209 /nfs/dbraw/zinc/12/62/09/473126209.db2.gz QXYUWOKTFLBGNB-IAGOWNOFSA-N 0 1 334.416 2.655 20 5 EFBDMN O=C(NCCc1ccc(Cl)cc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000160938267 473192909 /nfs/dbraw/zinc/19/29/09/473192909.db2.gz SOCANWOCYXUEGJ-UHFFFAOYSA-N 0 1 329.143 2.597 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cs1 ZINC000111120176 473194212 /nfs/dbraw/zinc/19/42/12/473194212.db2.gz SOQDNVXSNJJMCV-MRVPVSSYSA-N 0 1 345.384 2.981 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)Cc2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000171663052 473432770 /nfs/dbraw/zinc/43/27/70/473432770.db2.gz MWXQLGOECALRQV-UHFFFAOYSA-N 0 1 345.384 2.762 20 5 EFBDMN CCc1[nH]nc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c1[N+](=O)[O-] ZINC000171669718 473435016 /nfs/dbraw/zinc/43/50/16/473435016.db2.gz AFUVSBAXFLWZRY-UHFFFAOYSA-N 0 1 332.335 2.824 20 5 EFBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC000185488718 473440507 /nfs/dbraw/zinc/44/05/07/473440507.db2.gz YNQHTAWXBBQZFR-LBPRGKRZSA-N 0 1 328.372 2.948 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)c2ccc3[nH]nnc3c2)cc1[N+](=O)[O-] ZINC000177849014 473443243 /nfs/dbraw/zinc/44/32/43/473443243.db2.gz OXLVBKZPVWUWFD-SNVBAGLBSA-N 0 1 325.328 2.666 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)CCCCc2ccccc2)c1[N+](=O)[O-] ZINC000171803953 473461786 /nfs/dbraw/zinc/46/17/86/473461786.db2.gz WOEZTKZJSBSQJM-UHFFFAOYSA-N 0 1 330.388 2.975 20 5 EFBDMN CC(C)(C)OC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000151674484 473483526 /nfs/dbraw/zinc/48/35/26/473483526.db2.gz WFONGQCTHZHKQR-UHFFFAOYSA-N 0 1 346.387 2.891 20 5 EFBDMN CC1CCN(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000126078986 473484935 /nfs/dbraw/zinc/48/49/35/473484935.db2.gz MDNVVIGCZNGKQM-UHFFFAOYSA-N 0 1 331.416 2.818 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000171951994 473489641 /nfs/dbraw/zinc/48/96/41/473489641.db2.gz VAPNKGGKPQZBQC-UHFFFAOYSA-N 0 1 342.355 2.515 20 5 EFBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178409952 473507967 /nfs/dbraw/zinc/50/79/67/473507967.db2.gz TWWJLNBDFYFHHV-XMMPIXPASA-N 0 1 348.424 2.843 20 5 EFBDMN CCOC(=O)N1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000185783381 473513159 /nfs/dbraw/zinc/51/31/59/473513159.db2.gz OHKHSOVVGSLBTP-LLVKDONJSA-N 0 1 327.768 2.569 20 5 EFBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000165676431 473513890 /nfs/dbraw/zinc/51/38/90/473513890.db2.gz KXZRNTKKQNXPKQ-UHFFFAOYSA-N 0 1 340.343 2.724 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1(O)CCCC1 ZINC000152211454 473536987 /nfs/dbraw/zinc/53/69/87/473536987.db2.gz GDAGGJDOIMXFDQ-GFCCVEGCSA-N 0 1 346.387 2.943 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)c1[N+](=O)[O-] ZINC000178653552 473541324 /nfs/dbraw/zinc/54/13/24/473541324.db2.gz AGUWSNLIGFBRDV-CYBMUJFWSA-N 0 1 343.387 2.597 20 5 EFBDMN C[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178652261 473541567 /nfs/dbraw/zinc/54/15/67/473541567.db2.gz UCEJYFAPYLYPFL-ZDUSSCGKSA-N 0 1 348.424 2.990 20 5 EFBDMN C[C@@H](NCC(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178651495 473541603 /nfs/dbraw/zinc/54/16/03/473541603.db2.gz LZTMCSWWRLPDOX-CQSZACIVSA-N 0 1 327.384 2.604 20 5 EFBDMN COCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172182700 473543426 /nfs/dbraw/zinc/54/34/26/473543426.db2.gz OYPWEPMDNYUTRL-UHFFFAOYSA-N 0 1 336.369 2.850 20 5 EFBDMN CCc1nc2c(s1)[C@@H]([N@@H+](C)CCn1ccc([N+](=O)[O-])n1)CCC2 ZINC000152494133 473569292 /nfs/dbraw/zinc/56/92/92/473569292.db2.gz BQKAOLVPWJZFKG-LBPRGKRZSA-N 0 1 335.433 2.820 20 5 EFBDMN CCOc1ccc([C@H](C)NCc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000152716634 473591708 /nfs/dbraw/zinc/59/17/08/473591708.db2.gz VKZCNZJUYSVZJL-LBPRGKRZSA-N 0 1 343.383 2.943 20 5 EFBDMN CCOc1ccc(NC(=O)CN2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153041446 473605704 /nfs/dbraw/zinc/60/57/04/473605704.db2.gz WXIBGTXXXRBAPQ-CHWSQXEVSA-N 0 1 333.388 2.664 20 5 EFBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000153444852 473625395 /nfs/dbraw/zinc/62/53/95/473625395.db2.gz FZDXERQSNSVIMM-TZMCWYRMSA-N 0 1 337.445 2.628 20 5 EFBDMN O=C(CN[C@@H]1CCCc2c(O)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000192351074 473672382 /nfs/dbraw/zinc/67/23/82/473672382.db2.gz UFEARVMMNZMQSU-CQSZACIVSA-N 0 1 341.367 2.906 20 5 EFBDMN COC(=O)[C@@H](C)N(CCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000192379616 473675410 /nfs/dbraw/zinc/67/54/10/473675410.db2.gz MIGHWBMDLYBIGV-CYBMUJFWSA-N 0 1 336.388 2.780 20 5 EFBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CCO)c1ccco1 ZINC000186524742 473686100 /nfs/dbraw/zinc/68/61/00/473686100.db2.gz PUHPOOMCZNZYEO-DOMZBBRYSA-N 0 1 347.371 2.618 20 5 EFBDMN Cc1ccnc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000179599409 473697554 /nfs/dbraw/zinc/69/75/54/473697554.db2.gz JCEJBLMMDXGELM-LBPRGKRZSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1ccnc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1[N+](=O)[O-] ZINC000179599409 473697555 /nfs/dbraw/zinc/69/75/55/473697555.db2.gz JCEJBLMMDXGELM-LBPRGKRZSA-N 0 1 328.376 2.678 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)Cc2ccccc2OC)c1[N+](=O)[O-] ZINC000192645146 473698899 /nfs/dbraw/zinc/69/88/99/473698899.db2.gz KRVCJMDOLXTADR-LLVKDONJSA-N 0 1 346.387 2.592 20 5 EFBDMN Cc1c(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000262732719 473717975 /nfs/dbraw/zinc/71/79/75/473717975.db2.gz BTRJNJZUDKVJPL-GHMZBOCLSA-N 0 1 332.278 2.598 20 5 EFBDMN CSCCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000281497119 473740746 /nfs/dbraw/zinc/74/07/46/473740746.db2.gz UDPSNRASAIYQRX-LBPRGKRZSA-N 0 1 325.434 2.915 20 5 EFBDMN CCCNC(=O)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179918492 473755213 /nfs/dbraw/zinc/75/52/13/473755213.db2.gz LNKGBNNOPFHXQP-FNORWQNLSA-N 0 1 331.416 2.846 20 5 EFBDMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000263557442 473776400 /nfs/dbraw/zinc/77/64/00/473776400.db2.gz PFJZIMINJJRILJ-UHFFFAOYSA-N 0 1 341.795 2.906 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000281602828 473780616 /nfs/dbraw/zinc/78/06/16/473780616.db2.gz OOOVDAOOLWVHSN-ZDUSSCGKSA-N 0 1 344.371 2.589 20 5 EFBDMN CN(CCc1ccccc1)CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000193393587 473784947 /nfs/dbraw/zinc/78/49/47/473784947.db2.gz AUWVMJYRRHGQDA-UHFFFAOYSA-N 0 1 341.411 2.728 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@]2(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000274380729 473800962 /nfs/dbraw/zinc/80/09/62/473800962.db2.gz MWGBRNVHDLHCNF-QGZVFWFLSA-N 0 1 328.372 2.864 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000274380727 473801406 /nfs/dbraw/zinc/80/14/06/473801406.db2.gz MWGBRNVHDLHCNF-KRWDZBQOSA-N 0 1 328.372 2.864 20 5 EFBDMN CCOC[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246265511 473810290 /nfs/dbraw/zinc/81/02/90/473810290.db2.gz VFNNZCDCOITMMT-KGLIPLIRSA-N 0 1 335.404 2.589 20 5 EFBDMN COc1ccc(CNC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173352728 473813779 /nfs/dbraw/zinc/81/37/79/473813779.db2.gz MSSLWYFTOFBHGF-CYBMUJFWSA-N 0 1 343.383 2.570 20 5 EFBDMN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC000288085845 473842989 /nfs/dbraw/zinc/84/29/89/473842989.db2.gz GDNKUONBNQERMQ-JSGCOSHPSA-N 0 1 329.356 2.581 20 5 EFBDMN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCN1Cc1ccccc1 ZINC000288085845 473842994 /nfs/dbraw/zinc/84/29/94/473842994.db2.gz GDNKUONBNQERMQ-JSGCOSHPSA-N 0 1 329.356 2.581 20 5 EFBDMN COc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000269684512 473859556 /nfs/dbraw/zinc/85/95/56/473859556.db2.gz NKESBRMIDWUFBO-OAHLLOKOSA-N 0 1 347.415 2.627 20 5 EFBDMN CS[C@H]1CCCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246439224 473863313 /nfs/dbraw/zinc/86/33/13/473863313.db2.gz DCLSTIGCQLBBOY-HOTGVXAUSA-N 0 1 349.456 2.918 20 5 EFBDMN CC(C)c1ccc(C(=O)NC2(c3nnc[nH]3)CCC2)cc1[N+](=O)[O-] ZINC000194282846 473873617 /nfs/dbraw/zinc/87/36/17/473873617.db2.gz YTXTYJPTHOTEMR-UHFFFAOYSA-N 0 1 329.360 2.646 20 5 EFBDMN Cc1cccc(CNC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180430056 473875703 /nfs/dbraw/zinc/87/57/03/473875703.db2.gz NAGUNMWGQDEXLJ-AWEZNQCLSA-N 0 1 327.384 2.870 20 5 EFBDMN CN(Cc1ccccc1)C1CN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000288273739 473894823 /nfs/dbraw/zinc/89/48/23/473894823.db2.gz HBRGHTLTBCANRT-UHFFFAOYSA-N 0 1 325.368 2.551 20 5 EFBDMN CCc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000173646169 473903092 /nfs/dbraw/zinc/90/30/92/473903092.db2.gz CKTHUCXVYBUAHO-UHFFFAOYSA-N 0 1 344.371 2.564 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCOc3ccc(C)cc3C2)c1[N+](=O)[O-] ZINC000288323242 473909127 /nfs/dbraw/zinc/90/91/27/473909127.db2.gz JDMKTZNXDVQCFI-UHFFFAOYSA-N 0 1 344.371 2.614 20 5 EFBDMN CN(Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000288398031 473930724 /nfs/dbraw/zinc/93/07/24/473930724.db2.gz MROBBNGFUUZJGL-UHFFFAOYSA-N 0 1 331.397 2.613 20 5 EFBDMN CC[C@H](NCCS(=O)(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180809172 473970651 /nfs/dbraw/zinc/97/06/51/473970651.db2.gz CQFBUJGEYPKGAM-AWEZNQCLSA-N 0 1 328.434 2.849 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC(c3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000264403607 473977706 /nfs/dbraw/zinc/97/77/06/473977706.db2.gz GNQVVIVVZIYYSE-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN CCC[C@@]1(COC)CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194941754 473980480 /nfs/dbraw/zinc/98/04/80/473980480.db2.gz AKSXOLQMXVMVNW-KRWDZBQOSA-N 0 1 335.404 2.814 20 5 EFBDMN CSc1cccc(C(=O)NCCCc2cn[nH]c2C)c1[N+](=O)[O-] ZINC000188108302 473983460 /nfs/dbraw/zinc/98/34/60/473983460.db2.gz UDUYPCKFGKWJKH-UHFFFAOYSA-N 0 1 334.401 2.711 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3OCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000246951122 474013628 /nfs/dbraw/zinc/01/36/28/474013628.db2.gz XEJJTLQDEIPKTQ-VBQJREDUSA-N 0 1 347.415 2.731 20 5 EFBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(O)c1 ZINC000181506631 474042463 /nfs/dbraw/zinc/04/24/63/474042463.db2.gz YHASYKJCZGYXPO-GFCCVEGCSA-N 0 1 341.367 2.540 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000264575358 474043653 /nfs/dbraw/zinc/04/36/53/474043653.db2.gz AMYOCSQIRYHNGY-SNVBAGLBSA-N 0 1 332.335 2.649 20 5 EFBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181545335 474046389 /nfs/dbraw/zinc/04/63/89/474046389.db2.gz SGROEXFFDWIEPA-NEPJUHHUSA-N 0 1 329.356 2.978 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc(CN(CCO)C3CCCCC3)n2)cc1 ZINC000264589508 474050021 /nfs/dbraw/zinc/05/00/21/474050021.db2.gz AKSBYEOVKURNIN-UHFFFAOYSA-N 0 1 346.387 2.772 20 5 EFBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000174511214 474053892 /nfs/dbraw/zinc/05/38/92/474053892.db2.gz CVERVCYMDPSKHR-UHFFFAOYSA-N 0 1 328.303 2.583 20 5 EFBDMN CCCc1[nH]nc(C(=O)Nc2nnc(CC(C)C)s2)c1[N+](=O)[O-] ZINC000264606874 474058276 /nfs/dbraw/zinc/05/82/76/474058276.db2.gz MCLBUGMDMQTXHC-UHFFFAOYSA-N 0 1 338.393 2.573 20 5 EFBDMN COC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000247094793 474063490 /nfs/dbraw/zinc/06/34/90/474063490.db2.gz UNDJXWVKOKKOSI-UONOGXRCSA-N 0 1 335.404 2.589 20 5 EFBDMN CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181935871 474070898 /nfs/dbraw/zinc/07/08/98/474070898.db2.gz FPKSELPBWGPLLB-UHFFFAOYSA-N 0 1 335.404 2.637 20 5 EFBDMN C[C@H](C(=O)NCc1ccccc1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282470745 474078413 /nfs/dbraw/zinc/07/84/13/474078413.db2.gz NSTXDTVWGYFEBD-OAHLLOKOSA-N 0 1 341.411 2.774 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000264679531 474085233 /nfs/dbraw/zinc/08/52/33/474085233.db2.gz OUUJCRGQUWTGRS-LLVKDONJSA-N 0 1 332.335 2.649 20 5 EFBDMN CCCCN(CCCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000182155727 474111560 /nfs/dbraw/zinc/11/15/60/474111560.db2.gz HMQBJXNQJZGTSR-UHFFFAOYSA-N 0 1 334.376 2.629 20 5 EFBDMN CCN1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000264750817 474114542 /nfs/dbraw/zinc/11/45/42/474114542.db2.gz LHPMKCZATNIHQA-UHFFFAOYSA-N 0 1 333.413 2.977 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(CCOC2)C1 ZINC000247343797 474125000 /nfs/dbraw/zinc/12/50/00/474125000.db2.gz NRGFSWQEBHUOMS-YVEFUNNKSA-N 0 1 344.371 2.818 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccncc1 ZINC000182270395 474137914 /nfs/dbraw/zinc/13/79/14/474137914.db2.gz JUUAMNOGLOTGNM-JKSUJKDBSA-N 0 1 343.383 2.567 20 5 EFBDMN CN(CCNC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000175056536 474139304 /nfs/dbraw/zinc/13/93/04/474139304.db2.gz HRYCZYKGBQDAOM-UHFFFAOYSA-N 0 1 346.362 2.987 20 5 EFBDMN O=[N+]([O-])c1sccc1NCc1n[nH]c(COc2ccccc2)n1 ZINC000613700485 480082653 /nfs/dbraw/zinc/08/26/53/480082653.db2.gz NUOAVEVQQZETEV-UHFFFAOYSA-N 0 1 331.357 2.966 20 5 EFBDMN CN1CCC[C@@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275402933 474173416 /nfs/dbraw/zinc/17/34/16/474173416.db2.gz BNGUYDRMICIJAI-CQSZACIVSA-N 0 1 335.407 2.918 20 5 EFBDMN COCCCn1nccc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000282734914 474173761 /nfs/dbraw/zinc/17/37/61/474173761.db2.gz SVFYUDQQDBMSQM-AWEZNQCLSA-N 0 1 332.404 2.987 20 5 EFBDMN O=C(NCCCCOc1ccc(Cl)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000270592620 474181964 /nfs/dbraw/zinc/18/19/64/474181964.db2.gz CRFWCJLGRMRRCB-UHFFFAOYSA-N 0 1 338.751 2.560 20 5 EFBDMN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1COC[C@H]1O ZINC000289236819 474192459 /nfs/dbraw/zinc/19/24/59/474192459.db2.gz DJXRXRIRYSZKRJ-HUUCEWRRSA-N 0 1 334.397 2.515 20 5 EFBDMN C[C@H](CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000182505545 474193794 /nfs/dbraw/zinc/19/37/94/474193794.db2.gz RSEYKULHPIKYPS-SECBINFHSA-N 0 1 345.384 2.803 20 5 EFBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000182551164 474203299 /nfs/dbraw/zinc/20/32/99/474203299.db2.gz SFDFCKPLGSFGPX-NSHDSACASA-N 0 1 340.426 2.781 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000270658689 474208347 /nfs/dbraw/zinc/20/83/47/474208347.db2.gz JWDCXJPLUCHDRA-QWRGUYRKSA-N 0 1 346.391 2.958 20 5 EFBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN(CCO)C1CCOCC1 ZINC000289299568 474214530 /nfs/dbraw/zinc/21/45/30/474214530.db2.gz BFUXJEVALRGMKM-UHFFFAOYSA-N 0 1 349.214 2.875 20 5 EFBDMN COc1cccc2c1CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000182674332 474229759 /nfs/dbraw/zinc/22/97/59/474229759.db2.gz ZPMOXFLXJGYSOY-KRWDZBQOSA-N 0 1 328.368 2.695 20 5 EFBDMN COc1cccc2c1CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000182674332 474229763 /nfs/dbraw/zinc/22/97/63/474229763.db2.gz ZPMOXFLXJGYSOY-KRWDZBQOSA-N 0 1 328.368 2.695 20 5 EFBDMN CN(CCOc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000248009360 474244321 /nfs/dbraw/zinc/24/43/21/474244321.db2.gz PBNBSGZHRGILIQ-UHFFFAOYSA-N 0 1 340.339 2.622 20 5 EFBDMN Cc1nc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000270810262 474275764 /nfs/dbraw/zinc/27/57/64/474275764.db2.gz PRZXWNHFHFPJFH-GFCCVEGCSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1nc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000270810262 474275769 /nfs/dbraw/zinc/27/57/69/474275769.db2.gz PRZXWNHFHFPJFH-GFCCVEGCSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1cnc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000270815456 474278271 /nfs/dbraw/zinc/27/82/71/474278271.db2.gz QOSXTKHTEDGSLU-GFCCVEGCSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1cnc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000270815456 474278281 /nfs/dbraw/zinc/27/82/81/474278281.db2.gz QOSXTKHTEDGSLU-GFCCVEGCSA-N 0 1 328.376 2.678 20 5 EFBDMN CC1(c2ccccc2)CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000270874595 474302723 /nfs/dbraw/zinc/30/27/23/474302723.db2.gz NYPHIGODZPUHRU-UHFFFAOYSA-N 0 1 328.372 2.948 20 5 EFBDMN CC1(C)C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC000183088766 474323358 /nfs/dbraw/zinc/32/33/58/474323358.db2.gz WLMHDGRBESYBAY-LBPRGKRZSA-N 0 1 332.360 2.547 20 5 EFBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000248463970 474333903 /nfs/dbraw/zinc/33/39/03/474333903.db2.gz QVRHXRUKZTYMDT-QZTJIDSGSA-N 0 1 346.358 2.921 20 5 EFBDMN CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000289667846 474369138 /nfs/dbraw/zinc/36/91/38/474369138.db2.gz GZQNOKSSPFAYOK-RDJZCZTQSA-N 0 1 347.415 2.813 20 5 EFBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000176137294 474392742 /nfs/dbraw/zinc/39/27/42/474392742.db2.gz RCRHLQBKSSXJDI-UHFFFAOYSA-N 0 1 334.332 2.644 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000176235529 474417463 /nfs/dbraw/zinc/41/74/63/474417463.db2.gz QNBIZEJMWPGFRW-UONOGXRCSA-N 0 1 346.412 2.971 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000271218520 474448094 /nfs/dbraw/zinc/44/80/94/474448094.db2.gz ZNYADSZQCVVESZ-NSHDSACASA-N 0 1 345.403 2.991 20 5 EFBDMN Cc1nc([C@H]2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)n[nH]1 ZINC000271343480 474501929 /nfs/dbraw/zinc/50/19/29/474501929.db2.gz MXCLOJWEZKGRBT-LBPRGKRZSA-N 0 1 338.371 2.954 20 5 EFBDMN Cc1nnc([C@H]2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)[nH]1 ZINC000271343480 474501934 /nfs/dbraw/zinc/50/19/34/474501934.db2.gz MXCLOJWEZKGRBT-LBPRGKRZSA-N 0 1 338.371 2.954 20 5 EFBDMN Cc1ccc2nc(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000176589686 474505451 /nfs/dbraw/zinc/50/54/51/474505451.db2.gz WRRAJPJMHCNWLS-UHFFFAOYSA-N 0 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475277825 /nfs/dbraw/zinc/27/78/25/475277825.db2.gz MOTIXMUZXLFLTK-LRFDDAOPSA-N 0 1 344.415 2.534 20 5 EFBDMN CNc1c(C(=O)NCc2nc3ccc(F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000361219300 475278446 /nfs/dbraw/zinc/27/84/46/475278446.db2.gz DCMLOBWAZBAEHO-UHFFFAOYSA-N 0 1 343.318 2.582 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC)C[C@@H]1C ZINC000341800077 475312214 /nfs/dbraw/zinc/31/22/14/475312214.db2.gz QKHPBMCMBZIPGR-HOCLYGCPSA-N 0 1 333.432 2.716 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC)C[C@H]1C ZINC000341800078 475312675 /nfs/dbraw/zinc/31/26/75/475312675.db2.gz QKHPBMCMBZIPGR-ZBFHGGJFSA-N 0 1 333.432 2.716 20 5 EFBDMN CCC[C@H](N[C@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352488515 475342808 /nfs/dbraw/zinc/34/28/08/475342808.db2.gz QYOVWCFUFDDZMT-LSDHHAIUSA-N 0 1 339.461 2.893 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000358040659 475358014 /nfs/dbraw/zinc/35/80/14/475358014.db2.gz ZYAWJSZJWZMAGY-MRXNPFEDSA-N 0 1 339.395 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/nfs/dbraw/zinc/45/77/53/475457753.db2.gz GUXZSEFWTVTMKA-UHFFFAOYSA-N 0 1 331.416 2.933 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339758579 475475108 /nfs/dbraw/zinc/47/51/08/475475108.db2.gz MDXHFKQEXBENQF-HOTGVXAUSA-N 0 1 340.807 2.658 20 5 EFBDMN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]2C ZINC000332002238 475481713 /nfs/dbraw/zinc/48/17/13/475481713.db2.gz PZUNRDUFIRLDIK-GXSJLCMTSA-N 0 1 344.371 2.783 20 5 EFBDMN Cc1[nH]nc(C(=O)N2Cc3cccc(C)c3CC2(C)C)c1[N+](=O)[O-] ZINC000332046200 475493676 /nfs/dbraw/zinc/49/36/76/475493676.db2.gz YEOSJOVUEPIXRM-UHFFFAOYSA-N 0 1 328.372 2.912 20 5 EFBDMN Cc1[nH]ncc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000338002794 475498527 /nfs/dbraw/zinc/49/85/27/475498527.db2.gz VJIHJBMRUSXWJN-UHFFFAOYSA-N 0 1 341.274 2.549 20 5 EFBDMN COc1cc(CN(C)[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000352665539 475508279 /nfs/dbraw/zinc/50/82/79/475508279.db2.gz FKASFXZMRSCORJ-JQWIXIFHSA-N 0 1 346.330 2.550 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2ccnn2C)C1 ZINC000338030164 475524083 /nfs/dbraw/zinc/52/40/83/475524083.db2.gz UMDVTAIFPFNEEV-CYBMUJFWSA-N 0 1 330.388 2.717 20 5 EFBDMN C[N@H+]1CC[C@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000296894255 475524591 /nfs/dbraw/zinc/52/45/91/475524591.db2.gz XKAOHFCRTXPMBD-HNNXBMFYSA-N 0 1 338.795 2.808 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000332139696 475529059 /nfs/dbraw/zinc/52/90/59/475529059.db2.gz MDFBFQLOMUIEHW-SECBINFHSA-N 0 1 336.298 2.534 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1C ZINC000345904272 475542997 /nfs/dbraw/zinc/54/29/97/475542997.db2.gz KVIRJYKMBSOMMT-VXGBXAGGSA-N 0 1 330.388 2.631 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2COc2ccccc2)c1[N+](=O)[O-] ZINC000296945329 475546119 /nfs/dbraw/zinc/54/61/19/475546119.db2.gz OQRJKLUEBVKNRC-LBPRGKRZSA-N 0 1 344.371 2.564 20 5 EFBDMN COc1ccc(CNC(=O)c2cc(F)cc3nc[nH]c32)cc1[N+](=O)[O-] ZINC000342155765 475565208 /nfs/dbraw/zinc/56/52/08/475565208.db2.gz OZMYUGLMJGHSTC-UHFFFAOYSA-N 0 1 344.302 2.549 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000297004079 475571172 /nfs/dbraw/zinc/57/11/72/475571172.db2.gz QNKMQLGLXDTPFZ-LLVKDONJSA-N 0 1 325.796 2.805 20 5 EFBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C2CCOCC2)C1 ZINC000332246995 475573491 /nfs/dbraw/zinc/57/34/91/475573491.db2.gz BIKVOQWBGMLJCT-DZGCQCFKSA-N 0 1 347.415 2.670 20 5 EFBDMN CSC[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000332307000 475594809 /nfs/dbraw/zinc/59/48/09/475594809.db2.gz LQJZTZUTJVOBAD-CYBMUJFWSA-N 0 1 349.456 2.559 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000297081212 475601840 /nfs/dbraw/zinc/60/18/40/475601840.db2.gz VYXCSZOEPYRUFM-LBPRGKRZSA-N 0 1 337.445 2.873 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](N2CCCC2=O)C1 ZINC000361658736 475637210 /nfs/dbraw/zinc/63/72/10/475637210.db2.gz GJMBUBMQLQIMRP-OOXMNIKJSA-N 0 1 329.400 2.695 20 5 EFBDMN C[C@H](NC(=O)N1CCN(C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297180652 475643489 /nfs/dbraw/zinc/64/34/89/475643489.db2.gz ASRQVZUHIRJDRW-ZDUSSCGKSA-N 0 1 332.404 2.536 20 5 EFBDMN CC(C)c1ccc(CN2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000332489677 475649714 /nfs/dbraw/zinc/64/97/14/475649714.db2.gz ACLHBTXOJCVKOZ-MSOLQXFVSA-N 0 1 333.432 2.623 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000342995358 475682936 /nfs/dbraw/zinc/68/29/36/475682936.db2.gz CURVXBKRUSSNEB-NXEZZACHSA-N 0 1 349.416 2.633 20 5 EFBDMN Cc1nc(Nc2cccc(CN3CCSCC3)c2)ncc1[N+](=O)[O-] ZINC000297278553 475689213 /nfs/dbraw/zinc/68/92/13/475689213.db2.gz XFFGWLDAWODPHD-UHFFFAOYSA-N 0 1 345.428 2.986 20 5 EFBDMN COc1ccc(CNCc2ccc(C[S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000353127640 475702605 /nfs/dbraw/zinc/70/26/05/475702605.db2.gz PQRXQAIKJKXWHA-DEOSSOPVSA-N 0 1 348.424 2.772 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2cccc3c2CCO3)ccc1[N+](=O)[O-] ZINC000358488602 475718609 /nfs/dbraw/zinc/71/86/09/475718609.db2.gz BIAPDQZMQKYSJW-UHFFFAOYSA-N 0 1 334.353 2.639 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3c2CCO3)c1C ZINC000358500421 475729364 /nfs/dbraw/zinc/72/93/64/475729364.db2.gz FWGLZHFFZFDKDK-UHFFFAOYSA-N 0 1 348.380 2.947 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000348534112 475732748 /nfs/dbraw/zinc/73/27/48/475732748.db2.gz OXIKQCBOIQZGFG-HOCLYGCPSA-N 0 1 330.388 2.556 20 5 EFBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000346671052 475751016 /nfs/dbraw/zinc/75/10/16/475751016.db2.gz OZSHVGMXUFKTDY-NSHDSACASA-N 0 1 328.324 2.724 20 5 EFBDMN O=C(NCc1cc(F)ccc1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000355215780 475752802 /nfs/dbraw/zinc/75/28/02/475752802.db2.gz ZNYIEYUAQDGZJH-UHFFFAOYSA-N 0 1 332.266 2.679 20 5 EFBDMN COCC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000338313905 475773480 /nfs/dbraw/zinc/77/34/80/475773480.db2.gz KYWOCYULTNIGPW-ZDUSSCGKSA-N 0 1 334.376 2.652 20 5 EFBDMN COCC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000338313904 475773523 /nfs/dbraw/zinc/77/35/23/475773523.db2.gz KYWOCYULTNIGPW-CYBMUJFWSA-N 0 1 334.376 2.652 20 5 EFBDMN CC(C)(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2[nH]1 ZINC000348630008 475784678 /nfs/dbraw/zinc/78/46/78/475784678.db2.gz LQRLJFMGYBHWIK-UHFFFAOYSA-N 0 1 328.332 2.744 20 5 EFBDMN COc1ccc(OCCN[C@@H](C)c2ccncc2F)c([N+](=O)[O-])c1 ZINC000338349141 475812892 /nfs/dbraw/zinc/81/28/92/475812892.db2.gz YPAZMVOCRMLISP-NSHDSACASA-N 0 1 335.335 2.867 20 5 EFBDMN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350961 475814951 /nfs/dbraw/zinc/81/49/51/475814951.db2.gz RJKRFEXGERNYBS-OWCLPIDISA-N 0 1 347.459 2.962 20 5 EFBDMN Cc1nc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297667683 475849472 /nfs/dbraw/zinc/84/94/72/475849472.db2.gz ZQIHCOJZHOACJH-SWLSCSKDSA-N 0 1 327.388 2.768 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000346777579 475852512 /nfs/dbraw/zinc/85/25/12/475852512.db2.gz SXHLRWNPZUZGCF-NWDGAFQWSA-N 0 1 337.445 2.871 20 5 EFBDMN CC[C@H](C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000343219635 475863389 /nfs/dbraw/zinc/86/33/89/475863389.db2.gz XXMFIWZDWYEVCH-ZANVPECISA-N 0 1 342.359 2.711 20 5 EFBDMN CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000343220869 475864436 /nfs/dbraw/zinc/86/44/36/475864436.db2.gz ZZOGRRPQHWGNJL-UHFFFAOYSA-N 0 1 335.389 2.741 20 5 EFBDMN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cc3cn[nH]c3cc2C)n1 ZINC000343226510 475868179 /nfs/dbraw/zinc/86/81/79/475868179.db2.gz JOMBGQIJWMHNBW-UHFFFAOYSA-N 0 1 327.300 2.705 20 5 EFBDMN Cc1c([C@@H](C)NC[C@H]2CCCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000346805330 475874772 /nfs/dbraw/zinc/87/47/72/475874772.db2.gz IFTVPKSWGSCFBA-CHWSQXEVSA-N 0 1 326.418 2.521 20 5 EFBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000358708458 475875014 /nfs/dbraw/zinc/87/50/14/475875014.db2.gz XXHUJTCJAWBXLL-GUTXKFCHSA-N 0 1 347.415 2.778 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358728931 475887551 /nfs/dbraw/zinc/88/75/51/475887551.db2.gz WVTVSXNFUXLFNF-LZWOXQAQSA-N 0 1 333.432 2.715 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N(CC)C[C@H]2C)c1 ZINC000338460183 475926622 /nfs/dbraw/zinc/92/66/22/475926622.db2.gz XXFPOOQLAYUPRN-CHWSQXEVSA-N 0 1 335.404 2.548 20 5 EFBDMN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358791664 475940610 /nfs/dbraw/zinc/94/06/10/475940610.db2.gz QIJMBJHCGGVNNI-UHFFFAOYSA-N 0 1 332.341 2.580 20 5 EFBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000343321885 475949888 /nfs/dbraw/zinc/94/98/88/475949888.db2.gz YIIFSWANMQRZOZ-INIZCTEOSA-N 0 1 344.367 2.745 20 5 EFBDMN NC(=O)c1ccc(CN2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000358803573 475952309 /nfs/dbraw/zinc/95/23/09/475952309.db2.gz QUQXMWVRCKERJA-INIZCTEOSA-N 0 1 325.368 2.511 20 5 EFBDMN O=C(Nc1ccc(F)cc1O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000340331511 475952582 /nfs/dbraw/zinc/95/25/82/475952582.db2.gz QHWQZYIZADQNMA-UHFFFAOYSA-N 0 1 343.270 2.946 20 5 EFBDMN CC(C)Oc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000340333234 475954872 /nfs/dbraw/zinc/95/48/72/475954872.db2.gz QQNXOXTUBHKDES-UHFFFAOYSA-N 0 1 337.357 2.578 20 5 EFBDMN Cn1ccnc1[C@@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000343391623 476016612 /nfs/dbraw/zinc/01/66/12/476016612.db2.gz DYLDPXZICGRSEN-UONOGXRCSA-N 0 1 336.779 2.602 20 5 EFBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000340436049 476034623 /nfs/dbraw/zinc/03/46/23/476034623.db2.gz ALEFOIHIDGENBL-GFCCVEGCSA-N 0 1 349.412 2.817 20 5 EFBDMN C[C@H]1CN(C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353584102 476100899 /nfs/dbraw/zinc/10/08/99/476100899.db2.gz DVUBUOPFRLGMHD-LBPRGKRZSA-N 0 1 332.429 2.854 20 5 EFBDMN CN(C)c1ccccc1CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356548740 476110064 /nfs/dbraw/zinc/11/00/64/476110064.db2.gz ZJFIGPDWEPVHRH-UHFFFAOYSA-N 0 1 329.356 2.639 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000343777706 476112300 /nfs/dbraw/zinc/11/23/00/476112300.db2.gz IQUPVQZDPYLYQI-OCCSQVGLSA-N 0 1 337.445 2.518 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)CN(C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000343777706 476112303 /nfs/dbraw/zinc/11/23/03/476112303.db2.gz IQUPVQZDPYLYQI-OCCSQVGLSA-N 0 1 337.445 2.518 20 5 EFBDMN COC[C@@](C)(CC(=O)OC)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000350262102 476112992 /nfs/dbraw/zinc/11/29/92/476112992.db2.gz HHOIRBHTVIDIBO-QGZVFWFLSA-N 0 1 338.404 2.776 20 5 EFBDMN COc1ccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1[N+](=O)[O-] ZINC000353605327 476117287 /nfs/dbraw/zinc/11/72/87/476117287.db2.gz PTAOWAHRKARFBI-UHFFFAOYSA-N 0 1 339.311 2.641 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(N2CC(N(C)Cc3ccccc3)C2)c1 ZINC000338725724 476137242 /nfs/dbraw/zinc/13/72/42/476137242.db2.gz UULJZCBYMDJVGI-UHFFFAOYSA-N 0 1 327.384 2.924 20 5 EFBDMN C[C@H](CCc1ccco1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299421961 476140050 /nfs/dbraw/zinc/14/00/50/476140050.db2.gz RUABZALTJRNNRO-SNVBAGLBSA-N 0 1 342.348 2.627 20 5 EFBDMN CCC(CC)N(CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344031037 476148108 /nfs/dbraw/zinc/14/81/08/476148108.db2.gz OVVVTVKUSGXKCA-UHFFFAOYSA-N 0 1 328.434 2.879 20 5 EFBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ncnn1CC ZINC000359054674 476149632 /nfs/dbraw/zinc/14/96/32/476149632.db2.gz LRFPKWBXAXQFRH-GFCCVEGCSA-N 0 1 335.433 2.867 20 5 EFBDMN CCOC(=O)CC(C)(C)N(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000362316649 476164165 /nfs/dbraw/zinc/16/41/65/476164165.db2.gz CZFGVALOWTTXID-UHFFFAOYSA-N 0 1 342.367 2.906 20 5 EFBDMN C[C@H](NCC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000359078079 476169678 /nfs/dbraw/zinc/16/96/78/476169678.db2.gz CCYSJLJMQNKBQD-ZDUSSCGKSA-N 0 1 325.368 2.788 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)c1[N+](=O)[O-] ZINC000357052995 476190788 /nfs/dbraw/zinc/19/07/88/476190788.db2.gz GIMULKBZCGLCLG-CMUBDUJZSA-N 0 1 326.356 2.944 20 5 EFBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1nnc[nH]1 ZINC000362359150 476192738 /nfs/dbraw/zinc/19/27/38/476192738.db2.gz MNUHFTXTSMPVRW-VIFPVBQESA-N 0 1 328.307 2.509 20 5 EFBDMN CC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000350487331 476209426 /nfs/dbraw/zinc/20/94/26/476209426.db2.gz ZHACHXBDSIKAGV-JKSUJKDBSA-N 0 1 349.431 2.695 20 5 EFBDMN CC[C@]1(C)CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000362391959 476218082 /nfs/dbraw/zinc/21/80/82/476218082.db2.gz WOHMJCFEZUHQBS-GOSISDBHSA-N 0 1 331.416 2.996 20 5 EFBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000340704691 476220084 /nfs/dbraw/zinc/22/00/84/476220084.db2.gz GVNZHSSGQFRVSR-QGZVFWFLSA-N 0 1 339.395 2.989 20 5 EFBDMN O=C(Nc1ccc(-c2nnc[nH]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000344306535 476234877 /nfs/dbraw/zinc/23/48/77/476234877.db2.gz LNHLBHAHNXRSGD-UHFFFAOYSA-N 0 1 327.275 2.771 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000359542960 476247465 /nfs/dbraw/zinc/24/74/65/476247465.db2.gz DKFQUOARCUCPOX-IAQYHMDHSA-N 0 1 348.403 2.615 20 5 EFBDMN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000362487383 476279087 /nfs/dbraw/zinc/27/90/87/476279087.db2.gz UOORWGDMCXHYTQ-AWEZNQCLSA-N 0 1 342.399 2.660 20 5 EFBDMN CC(C)C[C@@H]1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000362552635 476305839 /nfs/dbraw/zinc/30/58/39/476305839.db2.gz USCVYCDPMLSSAC-XJKSGUPXSA-N 0 1 345.399 2.595 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CCO)CC1CCCCC1 ZINC000362592996 476321092 /nfs/dbraw/zinc/32/10/92/476321092.db2.gz VQIDVKWKQGZQIC-UHFFFAOYSA-N 0 1 349.431 2.716 20 5 EFBDMN C[C@H](CC(=O)c1ccccc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357354771 476343495 /nfs/dbraw/zinc/34/34/95/476343495.db2.gz ZCIHVXBPPRWQEW-LLVKDONJSA-N 0 1 328.324 2.692 20 5 EFBDMN C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357354774 476343661 /nfs/dbraw/zinc/34/36/61/476343661.db2.gz ZCIHVXBPPRWQEW-NSHDSACASA-N 0 1 328.324 2.692 20 5 EFBDMN C[C@@H]1COCC[C@@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353978487 476344627 /nfs/dbraw/zinc/34/46/27/476344627.db2.gz LJECUCBTDKYJSI-UNEWFSDZSA-N 0 1 344.415 2.680 20 5 EFBDMN O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000357382157 476352128 /nfs/dbraw/zinc/35/21/28/476352128.db2.gz FOYQOPRHYXBPRO-MLGOLLRUSA-N 0 1 336.351 2.832 20 5 EFBDMN CCOCCCN1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000360725329 476353994 /nfs/dbraw/zinc/35/39/94/476353994.db2.gz KCYPGKXHKSESSE-UHFFFAOYSA-N 0 1 337.420 2.542 20 5 EFBDMN CCC(=O)c1ccc(N2CCC(c3nc[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000369092361 476390967 /nfs/dbraw/zinc/39/09/67/476390967.db2.gz NTFOCMCMPHZEOU-UHFFFAOYSA-N 0 1 329.360 2.690 20 5 EFBDMN COc1c(C)cnc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000369661191 476465759 /nfs/dbraw/zinc/46/57/59/476465759.db2.gz AMRMFSUMBIFLPS-UHFFFAOYSA-N 0 1 345.403 2.649 20 5 EFBDMN Cn1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(-c2ccccc2)n1 ZINC000357600315 476482354 /nfs/dbraw/zinc/48/23/54/476482354.db2.gz OAUSSPPJKJZKLT-UHFFFAOYSA-N 0 1 338.323 2.953 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000360940430 476491476 /nfs/dbraw/zinc/49/14/76/476491476.db2.gz ZFXJMKKOEPDPII-IIAWOOMASA-N 0 1 333.432 2.715 20 5 EFBDMN C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357633329 476502683 /nfs/dbraw/zinc/50/26/83/476502683.db2.gz BBZNPOWEYGFYQO-VIFPVBQESA-N 0 1 334.353 2.753 20 5 EFBDMN COc1ccc(CN2CCC[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000363095796 476558855 /nfs/dbraw/zinc/55/88/55/476558855.db2.gz RPJUSNUNZQTKKV-AWEZNQCLSA-N 0 1 330.388 2.717 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2nccn2C)C1 ZINC000377887828 476629610 /nfs/dbraw/zinc/62/96/10/476629610.db2.gz HAPZCXQTAIOYQA-ZDUSSCGKSA-N 0 1 330.388 2.717 20 5 EFBDMN COc1ccc(F)cc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000361147786 476635855 /nfs/dbraw/zinc/63/58/55/476635855.db2.gz WGNZXJBSLBFJJI-UHFFFAOYSA-N 0 1 334.351 2.776 20 5 EFBDMN COc1ccc(C[C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000365727148 476681130 /nfs/dbraw/zinc/68/11/30/476681130.db2.gz XLXPFIDGEPPWEO-MRXNPFEDSA-N 0 1 344.415 2.755 20 5 EFBDMN C[C@H]1CC[C@H](N(CCO)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429790874 476692635 /nfs/dbraw/zinc/69/26/35/476692635.db2.gz SDPFGDVRIUTXPY-WFASDCNBSA-N 0 1 346.387 2.628 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000456817945 476749376 /nfs/dbraw/zinc/74/93/76/476749376.db2.gz DAGDNEXHKIWOFS-HNNXBMFYSA-N 0 1 338.433 2.801 20 5 EFBDMN C[C@H](Cc1ccsc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000390189531 476791121 /nfs/dbraw/zinc/79/11/21/476791121.db2.gz SUVQXWRQUBNXNN-SECBINFHSA-N 0 1 344.389 2.705 20 5 EFBDMN COC[C@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000456975043 476812266 /nfs/dbraw/zinc/81/22/66/476812266.db2.gz XENBSJQCRCLNKE-CQSZACIVSA-N 0 1 344.371 2.626 20 5 EFBDMN CSc1cccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000452177186 476870682 /nfs/dbraw/zinc/87/06/82/476870682.db2.gz WVGIIKATFVYXBB-LBPRGKRZSA-N 0 1 349.456 2.873 20 5 EFBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000447060581 476946105 /nfs/dbraw/zinc/94/61/05/476946105.db2.gz QVILVZLTLNKVHV-UHFFFAOYSA-N 0 1 345.403 2.686 20 5 EFBDMN O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](OCc3ccccc3F)C2)n1 ZINC000366338354 476961935 /nfs/dbraw/zinc/96/19/35/476961935.db2.gz DDICJTKFJHWEPQ-HNNXBMFYSA-N 0 1 348.378 2.612 20 5 EFBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H](OCc3ccccc3F)C2)n1 ZINC000366338354 476961936 /nfs/dbraw/zinc/96/19/36/476961936.db2.gz DDICJTKFJHWEPQ-HNNXBMFYSA-N 0 1 348.378 2.612 20 5 EFBDMN C[C@](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)(C1CC1)C(F)(F)F ZINC000410528222 477015831 /nfs/dbraw/zinc/01/58/31/477015831.db2.gz VCWJLKPWXDDVAT-ZDUSSCGKSA-N 0 1 342.277 2.932 20 5 EFBDMN Cc1ccc(-c2cc(=NC(=O)Cc3cccc([N+](=O)[O-])c3C)[nH][nH]2)o1 ZINC000447801706 477058824 /nfs/dbraw/zinc/05/88/24/477058824.db2.gz DTHDRPAWYSOVBQ-UHFFFAOYSA-N 0 1 340.339 2.798 20 5 EFBDMN Cc1ccc(-c2cc(=NC(=O)c3cc(C)cc([N+](=O)[O-])c3)[nH][nH]2)o1 ZINC000447802081 477058855 /nfs/dbraw/zinc/05/88/55/477058855.db2.gz HBSLFDJBFILCNC-UHFFFAOYSA-N 0 1 326.312 2.869 20 5 EFBDMN CN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000375892896 477066143 /nfs/dbraw/zinc/06/61/43/477066143.db2.gz RFSDCXNIFFJLGP-WBVHZDCISA-N 0 1 343.358 2.562 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)n2)cc1 ZINC000370990408 477070881 /nfs/dbraw/zinc/07/08/81/477070881.db2.gz DAQJYZYGXQGUGS-UONOGXRCSA-N 0 1 344.371 2.503 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]([C@@H]4CCOC4)C3)n2)cc1 ZINC000370990408 477070885 /nfs/dbraw/zinc/07/08/85/477070885.db2.gz DAQJYZYGXQGUGS-UONOGXRCSA-N 0 1 344.371 2.503 20 5 EFBDMN Cc1[nH]ncc1C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000375920773 477083707 /nfs/dbraw/zinc/08/37/07/477083707.db2.gz GFEHZUFRENGWBR-UHFFFAOYSA-N 0 1 328.372 2.575 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000366612335 477097105 /nfs/dbraw/zinc/09/71/05/477097105.db2.gz YTTAPDACHSYYFP-CJNGLKHVSA-N 0 1 330.388 2.883 20 5 EFBDMN COc1cc(C(=O)N2CCC(c3cn[nH]c3C)CC2)ccc1[N+](=O)[O-] ZINC000375969166 477109108 /nfs/dbraw/zinc/10/91/08/477109108.db2.gz NEQYOZUVHPMZJP-UHFFFAOYSA-N 0 1 344.371 2.655 20 5 EFBDMN CC(C)C[C@H]1COCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411285967 477182670 /nfs/dbraw/zinc/18/26/70/477182670.db2.gz WDZUZQDRRJUYEK-INIZCTEOSA-N 0 1 335.404 2.670 20 5 EFBDMN CCc1ccc(C(=O)N2CCNC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000424000241 477254158 /nfs/dbraw/zinc/25/41/58/477254158.db2.gz OAWDSROGXVEKQP-SFHVURJKSA-N 0 1 339.395 2.944 20 5 EFBDMN O=[N+]([O-])c1ccccc1/C=C/CN[C@@]1(CO)CCOc2ccccc21 ZINC000366921070 477257333 /nfs/dbraw/zinc/25/73/33/477257333.db2.gz DODPDHDJYYXCKL-WSSFADSRSA-N 0 1 340.379 2.868 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)cc1F ZINC000366998524 477290765 /nfs/dbraw/zinc/29/07/65/477290765.db2.gz XBYNOQKSUXYJCG-KRWDZBQOSA-N 0 1 334.322 2.967 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CNC3(C4CC4)CCOCC3)n2)c1 ZINC000367017098 477300205 /nfs/dbraw/zinc/30/02/05/477300205.db2.gz UORWYHCMKOEDRW-UHFFFAOYSA-N 0 1 344.371 2.694 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000434013055 477331623 /nfs/dbraw/zinc/33/16/23/477331623.db2.gz AVMJFUPYIMNJKR-ZDUSSCGKSA-N 0 1 328.372 2.899 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000458297703 477340836 /nfs/dbraw/zinc/34/08/36/477340836.db2.gz ZABJVCPNDNYXFN-JTQLQIEISA-N 0 1 334.351 2.723 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000424249691 477342087 /nfs/dbraw/zinc/34/20/87/477342087.db2.gz ASRVTUOCLRTNCV-ZDUSSCGKSA-N 0 1 349.387 2.561 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000424266588 477348235 /nfs/dbraw/zinc/34/82/35/477348235.db2.gz XDLQNKDXHYIQFQ-CYBMUJFWSA-N 0 1 349.387 2.561 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000424266588 477348240 /nfs/dbraw/zinc/34/82/40/477348240.db2.gz XDLQNKDXHYIQFQ-CYBMUJFWSA-N 0 1 349.387 2.561 20 5 EFBDMN C[C@@H]1CCN(C)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448981587 477369830 /nfs/dbraw/zinc/36/98/30/477369830.db2.gz UIHWKVBZTFNGSQ-SNVBAGLBSA-N 0 1 345.321 2.780 20 5 EFBDMN COc1cc(OCc2nc(C3(N)CCCCC3)no2)ccc1[N+](=O)[O-] ZINC000424348878 477378018 /nfs/dbraw/zinc/37/80/18/477378018.db2.gz UWOCJWVCCSPDEE-UHFFFAOYSA-N 0 1 348.359 2.684 20 5 EFBDMN O=C(C=Cc1ccccc1[N+](=O)[O-])N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000371561065 477387301 /nfs/dbraw/zinc/38/73/01/477387301.db2.gz HHNOHSQLVCOQIH-SXSDINLZSA-N 0 1 349.350 2.632 20 5 EFBDMN O=C(NCc1c(F)cc(F)c(F)c1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000435915375 477393317 /nfs/dbraw/zinc/39/33/17/477393317.db2.gz QNPFRHSFLAHRHX-UHFFFAOYSA-N 0 1 344.220 2.787 20 5 EFBDMN Cn1ccnc1[C@@H](N[C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000449188047 477477050 /nfs/dbraw/zinc/47/70/50/477477050.db2.gz NCFBJXPRRBYQJJ-QRTARXTBSA-N 0 1 344.415 2.558 20 5 EFBDMN Cn1c(SCc2cc(O)ccc2[N+](=O)[O-])nnc1-c1ccco1 ZINC000436474041 477486117 /nfs/dbraw/zinc/48/61/17/477486117.db2.gz NACXNWQQPVHCGS-UHFFFAOYSA-N 0 1 332.341 2.981 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000455092216 477495337 /nfs/dbraw/zinc/49/53/37/477495337.db2.gz JMFVRHBFSHYPOD-IHRRRGAJSA-N 0 1 334.420 2.780 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000455092217 477495419 /nfs/dbraw/zinc/49/54/19/477495419.db2.gz JMFVRHBFSHYPOD-MCIONIFRSA-N 0 1 334.420 2.780 20 5 EFBDMN C[C@@H](C(=O)N[C@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1F ZINC000371789892 477497426 /nfs/dbraw/zinc/49/74/26/477497426.db2.gz UQXRHNCNCXJUIE-OTYXRUKQSA-N 0 1 332.335 2.754 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000455138879 477515417 /nfs/dbraw/zinc/51/54/17/477515417.db2.gz KFKCJKINAWMJCA-UHFFFAOYSA-N 0 1 330.348 2.529 20 5 EFBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436775009 477586501 /nfs/dbraw/zinc/58/65/01/477586501.db2.gz WCEHNFPLMQGXLQ-MJBXVCDLSA-N 0 1 347.415 2.778 20 5 EFBDMN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](C)N(C)C[C@H]1C ZINC000450415499 477593719 /nfs/dbraw/zinc/59/37/19/477593719.db2.gz BLDTVTFNHQGJHO-NWDGAFQWSA-N 0 1 330.388 2.680 20 5 EFBDMN CN(CCN1CCOC(C)(C)C1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450484230 477604614 /nfs/dbraw/zinc/60/46/14/477604614.db2.gz LMIMXLUBJHKFMM-UHFFFAOYSA-N 0 1 344.415 2.690 20 5 EFBDMN COc1cc(C=Cc2cc(=O)[nH]c(C3CC3)n2)cc([N+](=O)[O-])c1O ZINC000436932816 477640572 /nfs/dbraw/zinc/64/05/72/477640572.db2.gz OVPUUAAJRNCSJD-GORDUTHDSA-N 0 1 329.312 2.852 20 5 EFBDMN COc1cc(C=Cc2cc(=O)[nH]c(C3CC3)n2)cc([N+](=O)[O-])c1O ZINC000436932814 477641595 /nfs/dbraw/zinc/64/15/95/477641595.db2.gz OVPUUAAJRNCSJD-DJWKRKHSSA-N 0 1 329.312 2.852 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000372155900 477666544 /nfs/dbraw/zinc/66/65/44/477666544.db2.gz HUODNRREKIPRTJ-ZNMIVQPWSA-N 0 1 347.415 2.589 20 5 EFBDMN CCc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000377175362 477678070 /nfs/dbraw/zinc/67/80/70/477678070.db2.gz IVNKDGHXHHRAIK-BXUZGUMPSA-N 0 1 334.763 2.692 20 5 EFBDMN C[C@@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437278801 477690826 /nfs/dbraw/zinc/69/08/26/477690826.db2.gz VXIHDUFHGCYZHW-SNVBAGLBSA-N 0 1 345.321 2.780 20 5 EFBDMN Cc1nc([C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)n[nH]1 ZINC000413560397 477729824 /nfs/dbraw/zinc/72/98/24/477729824.db2.gz ZZNYAYPVQHPDHO-VIFPVBQESA-N 0 1 339.302 2.617 20 5 EFBDMN Cc1nnc([C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)[nH]1 ZINC000413560397 477729832 /nfs/dbraw/zinc/72/98/32/477729832.db2.gz ZZNYAYPVQHPDHO-VIFPVBQESA-N 0 1 339.302 2.617 20 5 EFBDMN O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000437878957 477770873 /nfs/dbraw/zinc/77/08/73/477770873.db2.gz RRQRAXWTYQLMNS-HNNXBMFYSA-N 0 1 347.415 2.827 20 5 EFBDMN O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427930266 477789763 /nfs/dbraw/zinc/78/97/63/477789763.db2.gz RJGSSSNXZQIUQR-UHFFFAOYSA-N 0 1 338.323 2.798 20 5 EFBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)CCCCc1cn[nH]n1 ZINC000456157301 477802486 /nfs/dbraw/zinc/80/24/86/477802486.db2.gz ALRDDFDFGUNOMG-UHFFFAOYSA-N 0 1 346.391 2.885 20 5 EFBDMN CCc1nc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)sc1C ZINC000428032938 477808602 /nfs/dbraw/zinc/80/86/02/477808602.db2.gz LTRJMNUQJSVBFD-UHFFFAOYSA-N 0 1 335.385 2.600 20 5 EFBDMN C[C@H](NCC(=O)NCCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451100436 477824299 /nfs/dbraw/zinc/82/42/99/477824299.db2.gz TZWIWBRZXJGVRT-ZDUSSCGKSA-N 0 1 345.374 2.743 20 5 EFBDMN C[N@H+]1CC[C@H]2[C@@H](CCCN2c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000428177777 477834214 /nfs/dbraw/zinc/83/42/14/477834214.db2.gz RJMIOQYFTHAKNK-ZFWWWQNUSA-N 0 1 343.387 2.565 20 5 EFBDMN CC[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420959683 477858757 /nfs/dbraw/zinc/85/87/57/477858757.db2.gz QOBSPULAFDDVJJ-OKILXGFUSA-N 0 1 335.404 2.813 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000456341428 477873210 /nfs/dbraw/zinc/87/32/10/477873210.db2.gz FKGILVPUSYPXGN-CYBMUJFWSA-N 0 1 337.445 2.873 20 5 EFBDMN CCOCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000438725837 477881876 /nfs/dbraw/zinc/88/18/76/477881876.db2.gz SFRUDVNOGBNMTL-UHFFFAOYSA-N 0 1 336.369 2.932 20 5 EFBDMN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCCC[C@H]1O ZINC000428466979 477905159 /nfs/dbraw/zinc/90/51/59/477905159.db2.gz WOBCBNNRRFLIIX-CHWSQXEVSA-N 0 1 330.331 2.932 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459451760 477908632 /nfs/dbraw/zinc/90/86/32/477908632.db2.gz VNRRUAMPVVWNMV-UHFFFAOYSA-N 0 1 346.391 2.949 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H](CCO)CC3)n2)cc1 ZINC000421024469 477916577 /nfs/dbraw/zinc/91/65/77/477916577.db2.gz XJNHTJAMDHHPGX-CYBMUJFWSA-N 0 1 346.387 2.629 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](CCO)CC3)n2)c1 ZINC000421041952 477928150 /nfs/dbraw/zinc/92/81/50/477928150.db2.gz OYUFPUPLWVNTQX-CYBMUJFWSA-N 0 1 346.387 2.629 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](CO)CC(F)F)o2)cc1 ZINC000428652219 477949439 /nfs/dbraw/zinc/94/94/39/477949439.db2.gz RTDSFACPQLQFMF-LLVKDONJSA-N 0 1 326.299 2.961 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494500128 477998964 /nfs/dbraw/zinc/99/89/64/477998964.db2.gz CDOBUSFKAGTGHW-JSGCOSHPSA-N 0 1 336.779 2.602 20 5 EFBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CCCCC1 ZINC000532900902 478004788 /nfs/dbraw/zinc/00/47/88/478004788.db2.gz SHLSHKAEUGMJAY-UHFFFAOYSA-N 0 1 331.416 2.996 20 5 EFBDMN O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(F)c1 ZINC000451428276 478012841 /nfs/dbraw/zinc/01/28/41/478012841.db2.gz YBLPBLRKHZVSSS-LYRGGWFBSA-N 0 1 326.343 2.998 20 5 EFBDMN CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000421226366 478013317 /nfs/dbraw/zinc/01/33/17/478013317.db2.gz BADLBBQABQNRNP-CYBMUJFWSA-N 0 1 330.406 2.706 20 5 EFBDMN CO[C@H]1C[C@@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000456635954 478019153 /nfs/dbraw/zinc/01/91/53/478019153.db2.gz NBHSKRLHQYHOKL-KGLIPLIRSA-N 0 1 344.371 2.501 20 5 EFBDMN CO[C@@H]1[C@@H](C)[C@@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000451504090 478055248 /nfs/dbraw/zinc/05/52/48/478055248.db2.gz JLAKDYTWOMFCLK-COLVAYQJSA-N 0 1 346.387 2.794 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000451508693 478059138 /nfs/dbraw/zinc/05/91/38/478059138.db2.gz LSGWLZBWZWQYRM-LSDHHAIUSA-N 0 1 330.388 2.664 20 5 EFBDMN COc1ccc2c(c1)CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC000440052568 478066357 /nfs/dbraw/zinc/06/63/57/478066357.db2.gz ODYQYMLAXMKTTF-UHFFFAOYSA-N 0 1 342.351 2.550 20 5 EFBDMN Cc1ccc2nc(Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)cn2c1 ZINC000487869862 478080989 /nfs/dbraw/zinc/08/09/89/478080989.db2.gz KULGRJUQHARBPB-UHFFFAOYSA-N 0 1 334.335 2.914 20 5 EFBDMN O=C1[C@H](N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CC1 ZINC000451549694 478085328 /nfs/dbraw/zinc/08/53/28/478085328.db2.gz QGAKCFUJMIFHTA-RHSMWYFYSA-N 0 1 329.400 2.538 20 5 EFBDMN C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccn(C)n1 ZINC000459779449 478086197 /nfs/dbraw/zinc/08/61/97/478086197.db2.gz FWQQGVPOVIKUMS-GFCCVEGCSA-N 0 1 341.371 2.877 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@@H](F)C1 ZINC000517561491 478102717 /nfs/dbraw/zinc/10/27/17/478102717.db2.gz CLOBUAVMDSCRQX-BDAKNGLRSA-N 0 1 336.772 2.807 20 5 EFBDMN Cc1[nH]ncc1CCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488171807 478126410 /nfs/dbraw/zinc/12/64/10/478126410.db2.gz ZSNRVNBJQLMGMJ-UHFFFAOYSA-N 0 1 345.403 2.793 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CCCNC(=O)C1CCC1 ZINC000429544928 478151459 /nfs/dbraw/zinc/15/14/59/478151459.db2.gz BIPUJGZHGVHFLB-UHFFFAOYSA-N 0 1 349.431 2.732 20 5 EFBDMN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](CO)CC(C)(C)C ZINC000451777760 478199955 /nfs/dbraw/zinc/19/99/55/478199955.db2.gz JAGADDIDCRVKDG-CQSZACIVSA-N 0 1 348.403 2.874 20 5 EFBDMN CCCc1nc(C)c(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000519536453 478230637 /nfs/dbraw/zinc/23/06/37/478230637.db2.gz KEFQPJRFGOFXSK-UHFFFAOYSA-N 0 1 346.387 2.962 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000489352278 478236329 /nfs/dbraw/zinc/23/63/29/478236329.db2.gz PEFQFMCBIMSKFU-LRDDRELGSA-N 0 1 337.395 2.636 20 5 EFBDMN CCOc1cc(CN(CCOC)[C@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000489408445 478242365 /nfs/dbraw/zinc/24/23/65/478242365.db2.gz FOIUQVZYKCCFHZ-ZFWWWQNUSA-N 0 1 338.404 2.619 20 5 EFBDMN O=C(NC1CC1)OC[C@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000495662962 478259337 /nfs/dbraw/zinc/25/93/37/478259337.db2.gz YPWPSISEXKFFNQ-CQSZACIVSA-N 0 1 349.387 2.544 20 5 EFBDMN CC[N@@H+](CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000579359355 478279695 /nfs/dbraw/zinc/27/96/95/478279695.db2.gz JXKGTQQGIKLUNK-UHFFFAOYSA-N 0 1 349.309 2.979 20 5 EFBDMN CCO[C@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000590659597 478280228 /nfs/dbraw/zinc/28/02/28/478280228.db2.gz UUVIFWDWFRURAH-WBMJQRKESA-N 0 1 336.388 2.628 20 5 EFBDMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000579365102 478281319 /nfs/dbraw/zinc/28/13/19/478281319.db2.gz MNSQNMKUNWBWQD-QGZVFWFLSA-N 0 1 342.351 2.658 20 5 EFBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H](C)S1 ZINC000590673925 478284422 /nfs/dbraw/zinc/28/44/22/478284422.db2.gz YDDGGFLPEAXXOD-PHIMTYICSA-N 0 1 346.412 2.951 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000570168476 478299295 /nfs/dbraw/zinc/29/92/95/478299295.db2.gz JRFPKGXPIBRZCL-MRXNPFEDSA-N 0 1 342.351 2.615 20 5 EFBDMN CC1=CCN(CCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000490004286 478300050 /nfs/dbraw/zinc/30/00/50/478300050.db2.gz OOZYZCKCDZBAEH-UHFFFAOYSA-N 0 1 346.431 2.781 20 5 EFBDMN Cc1ccc2nc([C@@H]3CCCN3Cc3c([N+](=O)[O-])ncn3C)[nH]c2c1 ZINC000590741079 478313484 /nfs/dbraw/zinc/31/34/84/478313484.db2.gz XGQCIPSXBDGYHT-AWEZNQCLSA-N 0 1 340.387 2.850 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000490300451 478327959 /nfs/dbraw/zinc/32/79/59/478327959.db2.gz OZNZDWIPGZGXRL-OAHLLOKOSA-N 0 1 339.823 2.589 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000490300451 478327968 /nfs/dbraw/zinc/32/79/68/478327968.db2.gz OZNZDWIPGZGXRL-OAHLLOKOSA-N 0 1 339.823 2.589 20 5 EFBDMN CCC(C)(C)N1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594389240 478357266 /nfs/dbraw/zinc/35/72/66/478357266.db2.gz GZMJCLJRNGLBEE-UHFFFAOYSA-N 0 1 335.404 2.550 20 5 EFBDMN CC(C)c1ccc(CNCc2n[nH]c([C@@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000594509289 478417178 /nfs/dbraw/zinc/41/71/78/478417178.db2.gz DNEQLXPDFLPMRH-HNNXBMFYSA-N 0 1 345.403 2.978 20 5 EFBDMN Cc1ccc([C@@H](C)NCc2n[nH]c([C@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000594511431 478418959 /nfs/dbraw/zinc/41/89/59/478418959.db2.gz NGIKWNUPAMMAOB-BXUZGUMPSA-N 0 1 331.376 2.724 20 5 EFBDMN Cc1ccc([C@H](C)NCc2n[nH]c([C@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000594511434 478420168 /nfs/dbraw/zinc/42/01/68/478420168.db2.gz NGIKWNUPAMMAOB-SMDDNHRTSA-N 0 1 331.376 2.724 20 5 EFBDMN O=[N+]([O-])c1ccc(CNCc2n[nH]c([C@@H]3CCCO3)n2)c(Cl)c1 ZINC000594513506 478420818 /nfs/dbraw/zinc/42/08/18/478420818.db2.gz ZBYYXNPCDIMDQJ-LBPRGKRZSA-N 0 1 337.767 2.508 20 5 EFBDMN C[C@@H]1CN(CCSCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000600571243 478425331 /nfs/dbraw/zinc/42/53/31/478425331.db2.gz UFOYSZCVXXJJMF-OKILXGFUSA-N 0 1 340.445 2.816 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCSCCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000600570134 478425367 /nfs/dbraw/zinc/42/53/67/478425367.db2.gz PGBLEDPHMKPYEE-IYBDPMFKSA-N 0 1 338.429 2.570 20 5 EFBDMN CCOc1cc(NCc2n[nH]c([C@@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000594590538 478451668 /nfs/dbraw/zinc/45/16/68/478451668.db2.gz YBPUOZBVMQIJTL-LBPRGKRZSA-N 0 1 333.348 2.575 20 5 EFBDMN COc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000600675091 478463282 /nfs/dbraw/zinc/46/32/82/478463282.db2.gz OPVNSLVKEGILLY-MELADBBJSA-N 0 1 334.372 2.679 20 5 EFBDMN COc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000600675093 478463726 /nfs/dbraw/zinc/46/37/26/478463726.db2.gz OPVNSLVKEGILLY-RDBSUJKOSA-N 0 1 334.372 2.679 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000600675638 478463761 /nfs/dbraw/zinc/46/37/61/478463761.db2.gz QVHDACGVBQXTNI-BRWVUGGUSA-N 0 1 348.399 2.939 20 5 EFBDMN CC(C)c1ccc(CN2CC[C@H](CN3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000496011459 478477698 /nfs/dbraw/zinc/47/76/98/478477698.db2.gz CSMCIAIIZAGQGS-HNNXBMFYSA-N 0 1 347.415 2.992 20 5 EFBDMN O=C1NCCC[C@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591243828 478498201 /nfs/dbraw/zinc/49/82/01/478498201.db2.gz AFIIWWPYHKWZEA-FUHWJXTLSA-N 0 1 339.395 2.800 20 5 EFBDMN O=C([O-])[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000591269587 478504061 /nfs/dbraw/zinc/50/40/61/478504061.db2.gz FZTGYRXLHFVJKW-AWEZNQCLSA-N 0 1 348.380 2.609 20 5 EFBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000591269587 478504068 /nfs/dbraw/zinc/50/40/68/478504068.db2.gz FZTGYRXLHFVJKW-AWEZNQCLSA-N 0 1 348.380 2.609 20 5 EFBDMN Cc1oc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000563284230 478507410 /nfs/dbraw/zinc/50/74/10/478507410.db2.gz UOXGJTZUYMSCOU-UHFFFAOYSA-N 0 1 334.328 2.705 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1C(=O)[O-] ZINC000600799075 478526777 /nfs/dbraw/zinc/52/67/77/478526777.db2.gz CZPOOOUBMBNCJJ-BXKDBHETSA-N 0 1 344.314 2.739 20 5 EFBDMN C[C@H](Cc1cnc[nH]1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000563379732 478540945 /nfs/dbraw/zinc/54/09/45/478540945.db2.gz WUXKDDIDRWHUSK-GFCCVEGCSA-N 0 1 328.372 2.688 20 5 EFBDMN COC[C@@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000541594039 478570367 /nfs/dbraw/zinc/57/03/67/478570367.db2.gz NDGHIVRANSXNKO-BXUZGUMPSA-N 0 1 334.376 2.966 20 5 EFBDMN O=C([O-])CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000571443863 478598483 /nfs/dbraw/zinc/59/84/83/478598483.db2.gz BEWUYWGGCGZUHV-HYXAFXHYSA-N 0 1 334.372 2.564 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccsc1 ZINC000600991633 478602160 /nfs/dbraw/zinc/60/21/60/478602160.db2.gz HQBHCGQNKWAUBS-ZDUSSCGKSA-N 0 1 337.376 2.828 20 5 EFBDMN Cc1cc(N2CC[NH+](Cc3ccco3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563714043 478621545 /nfs/dbraw/zinc/62/15/45/478621545.db2.gz HHZOJQPSIYOKHR-UHFFFAOYSA-N 0 1 345.355 2.517 20 5 EFBDMN COc1cccc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1C ZINC000594999775 478624352 /nfs/dbraw/zinc/62/43/52/478624352.db2.gz VXYNFOIWFOLHSI-UHFFFAOYSA-N 0 1 344.367 2.973 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCOc1ncccc1F ZINC000595022893 478633156 /nfs/dbraw/zinc/63/31/56/478633156.db2.gz QGDRYBDGLFPXKL-LLVKDONJSA-N 0 1 335.335 2.867 20 5 EFBDMN Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563814230 478638418 /nfs/dbraw/zinc/63/84/18/478638418.db2.gz RZIWZWVXTHYDTI-YWPYICTPSA-N 0 1 347.415 2.768 20 5 EFBDMN COc1ccccc1C[C@](C)(CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000601154004 478692851 /nfs/dbraw/zinc/69/28/51/478692851.db2.gz WMVDPZFJVCIVQY-GOSISDBHSA-N 0 1 348.374 2.826 20 5 EFBDMN CNc1ccc(C(=O)Nc2cc(C(C)=O)ccc2O)cc1[N+](=O)[O-] ZINC000542833293 478698345 /nfs/dbraw/zinc/69/83/45/478698345.db2.gz PPCXRAZFHPUGKV-UHFFFAOYSA-N 0 1 329.312 2.797 20 5 EFBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000564218598 478709287 /nfs/dbraw/zinc/70/92/87/478709287.db2.gz GIYPQXLSLIXJDB-IAGOWNOFSA-N 0 1 326.352 2.895 20 5 EFBDMN C[C@@]12C[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000595279689 478711299 /nfs/dbraw/zinc/71/12/99/478711299.db2.gz XAEQASUIILQQTK-OPNLHGRLSA-N 0 1 328.368 2.937 20 5 EFBDMN O=C([O-])C1([N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000595279954 478711752 /nfs/dbraw/zinc/71/17/52/478711752.db2.gz LFRPHEFFKWOUKV-UHFFFAOYSA-N 0 1 334.372 2.835 20 5 EFBDMN COc1ccc(NC(=O)CN2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000543247459 478729071 /nfs/dbraw/zinc/72/90/71/478729071.db2.gz YERXGZNTWNFWMA-GFCCVEGCSA-N 0 1 335.404 2.910 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](c3cccnc3)C2)c2c(c1)COCO2 ZINC000564564091 478760143 /nfs/dbraw/zinc/76/01/43/478760143.db2.gz KWDSZIORXYEZQS-CQSZACIVSA-N 0 1 341.367 2.846 20 5 EFBDMN Cc1noc(CN2CCC[C@H]2Cn2cnc3ccccc32)c1[N+](=O)[O-] ZINC000595393240 478760556 /nfs/dbraw/zinc/76/05/56/478760556.db2.gz PUXWQZPNUDANMK-ZDUSSCGKSA-N 0 1 341.371 2.906 20 5 EFBDMN C[C@@H]1CN(CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000595405385 478763310 /nfs/dbraw/zinc/76/33/10/478763310.db2.gz WYPHZQZYYPOBII-GASCZTMLSA-N 0 1 333.432 2.668 20 5 EFBDMN CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC(C(=O)[O-])CC1 ZINC000572304481 478802680 /nfs/dbraw/zinc/80/26/80/478802680.db2.gz RIBMGRAIZGFRLK-UHFFFAOYSA-N 0 1 346.387 2.936 20 5 EFBDMN O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCC(c2cnc[nH]2)CC1 ZINC000492055949 478804298 /nfs/dbraw/zinc/80/42/98/478804298.db2.gz GATHZGLEULJPNS-WAYWQWQTSA-N 0 1 326.356 2.737 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595478197 478808222 /nfs/dbraw/zinc/80/82/22/478808222.db2.gz ZBACUFSDBUXKPH-BHYGNILZSA-N 0 1 331.416 2.516 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595478199 478809098 /nfs/dbraw/zinc/80/90/98/478809098.db2.gz ZBACUFSDBUXKPH-HYVNUMGLSA-N 0 1 331.416 2.516 20 5 EFBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@H]1C1CCC1 ZINC000583270205 478810144 /nfs/dbraw/zinc/81/01/44/478810144.db2.gz BNUHCOLGCWFPHW-QWHCGFSZSA-N 0 1 327.344 2.755 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCCc2cn[nH]c21 ZINC000492120926 478834507 /nfs/dbraw/zinc/83/45/07/478834507.db2.gz VUTMAOGJQLYLLE-SCXUMTSISA-N 0 1 330.319 2.664 20 5 EFBDMN Cc1cc(C[C@H](C)NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000492178174 478861992 /nfs/dbraw/zinc/86/19/92/478861992.db2.gz CKSAFMUCONHWSY-OAQKJQOQSA-N 0 1 332.335 2.526 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc([C@H]2CCCN2)no1 ZINC000592356673 478866756 /nfs/dbraw/zinc/86/67/56/478866756.db2.gz DKNHOIULMJZGIL-SNVBAGLBSA-N 0 1 338.751 2.677 20 5 EFBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1Cc1ccccc1 ZINC000598511529 478872047 /nfs/dbraw/zinc/87/20/47/478872047.db2.gz SDEZSBVMTQBFCP-SFHVURJKSA-N 0 1 339.395 2.528 20 5 EFBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000592374549 478872400 /nfs/dbraw/zinc/87/24/00/478872400.db2.gz KTDSOSLGJTWHPM-OAHLLOKOSA-N 0 1 333.413 2.841 20 5 EFBDMN CCc1nc(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n[nH]1 ZINC000572652481 478889203 /nfs/dbraw/zinc/88/92/03/478889203.db2.gz WHYPMWSKSGMPPP-GFCCVEGCSA-N 0 1 329.282 2.669 20 5 EFBDMN COc1cc(Cc2nc3cc(O)ccc3c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000545180400 478892635 /nfs/dbraw/zinc/89/26/35/478892635.db2.gz OOBUYCNZPTTZEY-UHFFFAOYSA-N 0 1 327.296 2.549 20 5 EFBDMN Cc1ccc2c(c1)CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000595659262 478919615 /nfs/dbraw/zinc/91/96/15/478919615.db2.gz ZLVQAKIANHDTHK-KRWDZBQOSA-N 0 1 342.395 2.701 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000492312762 478924145 /nfs/dbraw/zinc/92/41/45/478924145.db2.gz MPITVTDXGPSFLQ-AEZGRPFRSA-N 0 1 329.360 2.727 20 5 EFBDMN C[C@@H](CO)[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595672419 478925556 /nfs/dbraw/zinc/92/55/56/478925556.db2.gz IZTLNBCISFLTME-WFASDCNBSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@@H](CO)[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595672418 478926569 /nfs/dbraw/zinc/92/65/69/478926569.db2.gz IZTLNBCISFLTME-SWLSCSKDSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@@H](CO)[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595670667 478926911 /nfs/dbraw/zinc/92/69/11/478926911.db2.gz HVQLMQMOOAEFGS-SWLSCSKDSA-N 0 1 346.387 2.628 20 5 EFBDMN COc1cc(CN2CCCC[C@H]2[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000595678682 478930895 /nfs/dbraw/zinc/93/08/95/478930895.db2.gz SVHFYZFFSHSHCM-FZMZJTMJSA-N 0 1 326.368 2.725 20 5 EFBDMN C[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1CO ZINC000598647052 478943029 /nfs/dbraw/zinc/94/30/29/478943029.db2.gz MXNXRVKKYCKYHA-JSGCOSHPSA-N 0 1 331.372 2.700 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647757 478944577 /nfs/dbraw/zinc/94/45/77/478944577.db2.gz FDEHEKQHRYNFLY-DYEKYZERSA-N 0 1 346.387 2.656 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)[C@H](CO)C1 ZINC000598647757 478944585 /nfs/dbraw/zinc/94/45/85/478944585.db2.gz FDEHEKQHRYNFLY-DYEKYZERSA-N 0 1 346.387 2.656 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](c3ccncc3)C2)c2c(c1)COCO2 ZINC000584151315 479028137 /nfs/dbraw/zinc/02/81/37/479028137.db2.gz YAGMZEDULVHRQP-CQSZACIVSA-N 0 1 341.367 2.846 20 5 EFBDMN Cc1ccc(CN2CC[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)cc1 ZINC000601878536 479053524 /nfs/dbraw/zinc/05/35/24/479053524.db2.gz CCVVUVKBUFFFFH-HNNXBMFYSA-N 0 1 345.424 2.969 20 5 EFBDMN CCCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592833253 479066734 /nfs/dbraw/zinc/06/67/34/479066734.db2.gz XNPOGCUGORACAF-ZDUSSCGKSA-N 0 1 337.445 2.873 20 5 EFBDMN CC1(C)CCN(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000514797742 479069782 /nfs/dbraw/zinc/06/97/82/479069782.db2.gz YXQRHHGZWZGWQE-MRXNPFEDSA-N 0 1 349.456 2.901 20 5 EFBDMN COc1ccc(NC(=O)c2cc3c(s2)CCNC3)cc1[N+](=O)[O-] ZINC000595950173 479080724 /nfs/dbraw/zinc/08/07/24/479080724.db2.gz BSGJWAIIXDDADG-UHFFFAOYSA-N 0 1 333.369 2.563 20 5 EFBDMN Cc1ccc(-c2noc([C@@H]3CCCc4nn[nH]c43)n2)cc1[N+](=O)[O-] ZINC000596002742 479091118 /nfs/dbraw/zinc/09/11/18/479091118.db2.gz MMQRSCXTJJCTAK-SNVBAGLBSA-N 0 1 326.316 2.540 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000592967113 479110072 /nfs/dbraw/zinc/11/00/72/479110072.db2.gz MFOYFIUAPNINHD-UHFFFAOYSA-N 0 1 347.396 2.677 20 5 EFBDMN O=c1[nH]ccc(NC[C@@H](c2ccco2)N2CCCCC2)c1[N+](=O)[O-] ZINC000596055531 479111115 /nfs/dbraw/zinc/11/11/15/479111115.db2.gz WJIJJBRDTWWOPD-ZDUSSCGKSA-N 0 1 332.360 2.928 20 5 EFBDMN Cc1cc(NC[C@@H](C(C)C)N2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000596069701 479120049 /nfs/dbraw/zinc/12/00/49/479120049.db2.gz ISHHPSIMSFRDCR-AWEZNQCLSA-N 0 1 326.466 2.649 20 5 EFBDMN COCC[C@@]1(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000515175489 479127570 /nfs/dbraw/zinc/12/75/70/479127570.db2.gz PIRVEGOZVYDVSX-QGZVFWFLSA-N 0 1 347.371 2.535 20 5 EFBDMN COc1ccc([C@@H]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599019282 479128173 /nfs/dbraw/zinc/12/81/73/479128173.db2.gz DPNMADFKILACGB-KRWDZBQOSA-N 0 1 329.356 2.945 20 5 EFBDMN COC(=O)c1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000602011596 479135749 /nfs/dbraw/zinc/13/57/49/479135749.db2.gz IBGFKPCASZVGDF-UHFFFAOYSA-N 0 1 331.372 2.745 20 5 EFBDMN COC(=O)Nc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000493734017 479137254 /nfs/dbraw/zinc/13/72/54/479137254.db2.gz SWZPOGUIICVFJO-UHFFFAOYSA-N 0 1 331.284 2.731 20 5 EFBDMN C[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000596104261 479141171 /nfs/dbraw/zinc/14/11/71/479141171.db2.gz IUOZATKHQHLSCR-NSHDSACASA-N 0 1 328.363 2.580 20 5 EFBDMN Cc1cc(N[C@@H]2CCc3nc(C)ncc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596106046 479141935 /nfs/dbraw/zinc/14/19/35/479141935.db2.gz PAOUXWMMBGMNJC-CQSZACIVSA-N 0 1 349.394 2.941 20 5 EFBDMN C[N@H+]1CCC[C@@]2(CCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000493751575 479145026 /nfs/dbraw/zinc/14/50/26/479145026.db2.gz VMFPWURZCUXHOK-WLPBJKJWSA-N 0 1 347.390 2.691 20 5 EFBDMN CC[C@H](F)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000515363405 479154603 /nfs/dbraw/zinc/15/46/03/479154603.db2.gz AFCNJAVRRVJJJH-LBPRGKRZSA-N 0 1 335.383 2.731 20 5 EFBDMN COc1cc(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000569734266 479165411 /nfs/dbraw/zinc/16/54/11/479165411.db2.gz YGXUBXKMKBFOKZ-QGZVFWFLSA-N 0 1 342.351 2.787 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000574042817 479203694 /nfs/dbraw/zinc/20/36/94/479203694.db2.gz PYSSCRYFEUYWGZ-XHDPSFHLSA-N 0 1 344.371 2.502 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000574042812 479204624 /nfs/dbraw/zinc/20/46/24/479204624.db2.gz PYSSCRYFEUYWGZ-ABAIWWIYSA-N 0 1 344.371 2.502 20 5 EFBDMN Cc1[nH]ncc1CN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000602167426 479213102 /nfs/dbraw/zinc/21/31/02/479213102.db2.gz MVIBBMZBRUOHAW-LLVKDONJSA-N 0 1 334.401 2.766 20 5 EFBDMN CC(=O)N1CC(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000574100666 479216444 /nfs/dbraw/zinc/21/64/44/479216444.db2.gz WTAMNATZPBMRTO-UHFFFAOYSA-N 0 1 331.397 2.644 20 5 EFBDMN CC(C)Oc1cc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000593190713 479232569 /nfs/dbraw/zinc/23/25/69/479232569.db2.gz OISUPUUAKNQYSZ-RDBSUJKOSA-N 0 1 349.431 2.935 20 5 EFBDMN Cc1cc(N2CCC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000596295219 479243474 /nfs/dbraw/zinc/24/34/74/479243474.db2.gz RDMZHXGDOJEPRX-CYBMUJFWSA-N 0 1 325.434 2.656 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C(C)(C)C)C1 ZINC000584804149 479247028 /nfs/dbraw/zinc/24/70/28/479247028.db2.gz ONFDQDKBDJIBLL-LBPRGKRZSA-N 0 1 335.404 2.910 20 5 EFBDMN CS[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593226713 479250502 /nfs/dbraw/zinc/25/05/02/479250502.db2.gz OIOFBSFFRGAEEE-CHWSQXEVSA-N 0 1 334.401 2.875 20 5 EFBDMN CC[C@H]1COC(C)(C)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000593255178 479262104 /nfs/dbraw/zinc/26/21/04/479262104.db2.gz CUQASMRNUIQRBW-JTQLQIEISA-N 0 1 332.360 2.501 20 5 EFBDMN CN(C)Cc1ccnc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000603149142 479275390 /nfs/dbraw/zinc/27/53/90/479275390.db2.gz ULKZQIAVDCALPG-UHFFFAOYSA-N 0 1 343.387 2.715 20 5 EFBDMN CCN1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000611092231 479281532 /nfs/dbraw/zinc/28/15/32/479281532.db2.gz MDKVQBIJHKJHDQ-CHWSQXEVSA-N 0 1 345.403 2.732 20 5 EFBDMN CN(Cc1cn(Cc2ccccc2[N+](=O)[O-])nn1)C1CCCCC1 ZINC000603187313 479296025 /nfs/dbraw/zinc/29/60/25/479296025.db2.gz RGPDLLBFJIGPDO-UHFFFAOYSA-N 0 1 329.404 2.999 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC4(CCOC4)CC3)n2)c1 ZINC000611177258 479302178 /nfs/dbraw/zinc/30/21/78/479302178.db2.gz CVFIOMPNKLWESH-UHFFFAOYSA-N 0 1 344.371 2.647 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CCC(N3CCOCC3)CC2)c(Cl)c1 ZINC000599472531 479307376 /nfs/dbraw/zinc/30/73/76/479307376.db2.gz ILDGKINZPQAQAA-UHFFFAOYSA-N 0 1 339.823 2.545 20 5 EFBDMN O=C(NC[C@H]1CCN1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000596501457 479318613 /nfs/dbraw/zinc/31/86/13/479318613.db2.gz FKMWVNQPYVBADV-QGZVFWFLSA-N 0 1 340.383 2.991 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]1[C@H]1CCCO1)OCCO2 ZINC000585767835 479323394 /nfs/dbraw/zinc/32/33/94/479323394.db2.gz IVUBSIXKNZGXEU-DZGCQCFKSA-N 0 1 334.372 2.509 20 5 EFBDMN CCOC[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271841 479331637 /nfs/dbraw/zinc/33/16/37/479331637.db2.gz CHWOHYHQFUDYLY-ZDUSSCGKSA-N 0 1 336.388 2.615 20 5 EFBDMN CSCC[C@H](C)N(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272754 479332162 /nfs/dbraw/zinc/33/21/62/479332162.db2.gz QTMFIGRAZYSOMO-NSHDSACASA-N 0 1 326.418 2.939 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3[nH]nc4ccccc43)C2)nc1 ZINC000611272500 479332407 /nfs/dbraw/zinc/33/24/07/479332407.db2.gz HOOZKSHSUNRING-GFCCVEGCSA-N 0 1 338.371 2.553 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3n[nH]c4ccccc34)C2)nc1 ZINC000611272500 479332390 /nfs/dbraw/zinc/33/23/90/479332390.db2.gz HOOZKSHSUNRING-GFCCVEGCSA-N 0 1 338.371 2.553 20 5 EFBDMN O=C1[C@H](N2CCC3(CCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000586783084 479352383 /nfs/dbraw/zinc/35/23/83/479352383.db2.gz VCHIHTSDVFVNRJ-MRXNPFEDSA-N 0 1 329.400 2.966 20 5 EFBDMN COc1cccc(C(=O)N2CCC(c3cn[nH]c3C)CC2)c1[N+](=O)[O-] ZINC000586836363 479361849 /nfs/dbraw/zinc/36/18/49/479361849.db2.gz WQNYWBGVLINEST-UHFFFAOYSA-N 0 1 344.371 2.655 20 5 EFBDMN Cc1cc(N2CCN(C)C[C@@H]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000593503428 479368543 /nfs/dbraw/zinc/36/85/43/479368543.db2.gz KBXGLPCYFSFKCR-INIZCTEOSA-N 0 1 326.400 2.661 20 5 EFBDMN C[C@H](Cn1ccnc1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602513015 479376431 /nfs/dbraw/zinc/37/64/31/479376431.db2.gz ZGBCFSBBNLPUFZ-MRVPVSSYSA-N 0 1 345.222 2.794 20 5 EFBDMN C[C@@H](CN1CCN(C)CC1)Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000587972459 479377656 /nfs/dbraw/zinc/37/76/56/479377656.db2.gz IYEORNPUTJMISG-JTQLQIEISA-N 0 1 347.246 2.949 20 5 EFBDMN C[C@H](CN1CCCC1=O)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602518105 479378799 /nfs/dbraw/zinc/37/87/99/479378799.db2.gz NNOKEPZXMJAFKN-SNVBAGLBSA-N 0 1 345.321 2.714 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)[C@@H]1CCCC[C@@H]1OC ZINC000603419336 479380759 /nfs/dbraw/zinc/38/07/59/479380759.db2.gz MBCLZPCXCDWCIT-LSDHHAIUSA-N 0 1 342.417 2.857 20 5 EFBDMN CC(C)[C@@H]1CNCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000602527740 479382585 /nfs/dbraw/zinc/38/25/85/479382585.db2.gz KRLZSMAASKFMSC-DOMZBBRYSA-N 0 1 337.445 2.532 20 5 EFBDMN CN(Cc1ccccc1)C1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000588072500 479389296 /nfs/dbraw/zinc/38/92/96/479389296.db2.gz RWLXZMBLJCHLAH-UHFFFAOYSA-N 0 1 349.394 2.859 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCOC[C@@H]1CCCO1 ZINC000602547776 479392858 /nfs/dbraw/zinc/39/28/58/479392858.db2.gz OOCRTEXATHRARZ-ZDUSSCGKSA-N 0 1 348.321 2.899 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCOC[C@H]1CCCO1 ZINC000602547775 479393085 /nfs/dbraw/zinc/39/30/85/479393085.db2.gz OOCRTEXATHRARZ-CYBMUJFWSA-N 0 1 348.321 2.899 20 5 EFBDMN COc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(F)c1 ZINC000593619659 479405139 /nfs/dbraw/zinc/40/51/39/479405139.db2.gz BCXFGKZTBMJCNI-UHFFFAOYSA-N 0 1 334.351 2.776 20 5 EFBDMN COCCOCc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000611554016 479413109 /nfs/dbraw/zinc/41/31/09/479413109.db2.gz BHCCVQRPQCFLFU-UHFFFAOYSA-N 0 1 346.339 2.716 20 5 EFBDMN O=C(NC[C@H]1CCc2ccccc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556769 479414809 /nfs/dbraw/zinc/41/48/09/479414809.db2.gz GCQIACOGWOJHRR-LBPRGKRZSA-N 0 1 326.352 2.835 20 5 EFBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCOCC2(CCOCC2)C1 ZINC000588432614 479421902 /nfs/dbraw/zinc/42/19/02/479421902.db2.gz WOCWOTCORRDACP-HYXAFXHYSA-N 0 1 332.400 2.737 20 5 EFBDMN C/C=C/C[C@H](CO)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602617209 479425412 /nfs/dbraw/zinc/42/54/12/479425412.db2.gz BKVNMXGAIRAQNF-UFUPEUMYSA-N 0 1 335.223 2.836 20 5 EFBDMN CC1(C)[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1O ZINC000602620695 479428561 /nfs/dbraw/zinc/42/85/61/479428561.db2.gz DGRPNYJJXBKKEF-BDAKNGLRSA-N 0 1 335.223 2.668 20 5 EFBDMN CC1(C)[C@H](O)C[C@@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602620696 479429065 /nfs/dbraw/zinc/42/90/65/479429065.db2.gz DGRPNYJJXBKKEF-DTWKUNHWSA-N 0 1 335.223 2.668 20 5 EFBDMN C[C@@H](CNc1cccnc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000603854062 479438813 /nfs/dbraw/zinc/43/88/13/479438813.db2.gz NDJHXEZNULJXGZ-HNNXBMFYSA-N 0 1 341.415 2.612 20 5 EFBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000593748172 479444869 /nfs/dbraw/zinc/44/48/69/479444869.db2.gz HYDASHPRYLBMSW-ZDUSSCGKSA-N 0 1 336.388 2.796 20 5 EFBDMN O=C(CCN1CCOc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000603909058 479449783 /nfs/dbraw/zinc/44/97/83/479449783.db2.gz FKVLDIVGOCXWFB-UHFFFAOYSA-N 0 1 341.367 2.818 20 5 EFBDMN CN(C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000611700665 479450311 /nfs/dbraw/zinc/45/03/11/479450311.db2.gz BZAUIKRHZHUJEN-HNNXBMFYSA-N 0 1 343.412 2.736 20 5 EFBDMN O=[N+]([O-])c1sc(CNCC2=CCCOC2)cc1Br ZINC000602662536 479457725 /nfs/dbraw/zinc/45/77/25/479457725.db2.gz ORTPOWVHXXCMCR-UHFFFAOYSA-N 0 1 333.207 2.855 20 5 EFBDMN CO[C@@H](CNCc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602677074 479468070 /nfs/dbraw/zinc/46/80/70/479468070.db2.gz RPKMSEHTDPHIKQ-JTQLQIEISA-N 0 1 335.223 2.933 20 5 EFBDMN CCC[N@H+]1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000596882366 479470916 /nfs/dbraw/zinc/47/09/16/479470916.db2.gz QKZXUFOGMYVJNV-OAHLLOKOSA-N 0 1 346.431 2.753 20 5 EFBDMN CCn1cc(CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C(C)C)cn1 ZINC000593836188 479479602 /nfs/dbraw/zinc/47/96/02/479479602.db2.gz TWTGJGRYQZZXJM-UHFFFAOYSA-N 0 1 348.407 2.709 20 5 EFBDMN COC(=O)[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000602703281 479489527 /nfs/dbraw/zinc/48/95/27/479489527.db2.gz XNUDXQYNJNKUIY-BXKDBHETSA-N 0 1 346.305 2.855 20 5 EFBDMN COc1ccc(NC(=O)c2c(C)n[nH]c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000611889963 479516166 /nfs/dbraw/zinc/51/61/66/479516166.db2.gz WEQBFAYSQLBNMG-UHFFFAOYSA-N 0 1 344.249 2.906 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4cc[nH]c4c3)CC2)cn1 ZINC000600108957 479520777 /nfs/dbraw/zinc/52/07/77/479520777.db2.gz FDUARADAPBFLTB-UHFFFAOYSA-N 0 1 337.383 2.793 20 5 EFBDMN O=[N+]([O-])c1cccc(N2CCN(Cc3cccc4n[nH]cc43)CC2)c1 ZINC000600113374 479522441 /nfs/dbraw/zinc/52/24/41/479522441.db2.gz RVUQZKOIXOSEIO-UHFFFAOYSA-N 0 1 337.383 2.793 20 5 EFBDMN CNc1ccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000604491273 479526917 /nfs/dbraw/zinc/52/69/17/479526917.db2.gz DTYYHVYKSWKUNH-UHFFFAOYSA-N 0 1 334.420 2.583 20 5 EFBDMN Cc1ccncc1[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000611938890 479527818 /nfs/dbraw/zinc/52/78/18/479527818.db2.gz BLYJZOWGSPJAAM-ZDUSSCGKSA-N 0 1 328.372 2.896 20 5 EFBDMN Cc1ccncc1[C@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611940370 479529130 /nfs/dbraw/zinc/52/91/30/479529130.db2.gz ZFCGDJJTAIHFFF-QWHCGFSZSA-N 0 1 328.372 2.976 20 5 EFBDMN O=C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccc(F)cc2N1 ZINC000589517023 479537390 /nfs/dbraw/zinc/53/73/90/479537390.db2.gz KQTIEOISKMTRDS-UHFFFAOYSA-N 0 1 331.303 2.788 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000576116756 479544210 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O=[N+]([O-])c1cccc(F)c1CN[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602890326 479613662 /nfs/dbraw/zinc/61/36/62/479613662.db2.gz HFPKKNCTYHFIMZ-JKSUJKDBSA-N 0 1 338.379 2.534 20 5 EFBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1COCCO1 ZINC000597206645 479619519 /nfs/dbraw/zinc/61/95/19/479619519.db2.gz PSPDUARIFMMTLQ-INIZCTEOSA-N 0 1 332.356 2.702 20 5 EFBDMN C[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594195424 479625326 /nfs/dbraw/zinc/62/53/26/479625326.db2.gz GYDAQJXKKPFOHM-IAOVAPTHSA-N 0 1 331.416 2.831 20 5 EFBDMN Cc1cc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000612290659 479633177 /nfs/dbraw/zinc/63/31/77/479633177.db2.gz JLASHVMWWCPSIC-UHFFFAOYSA-N 0 1 340.792 2.688 20 5 EFBDMN CN(C)c1ccnc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000612346089 479650971 /nfs/dbraw/zinc/65/09/71/479650971.db2.gz DTRJJDQOSOYDDL-UHFFFAOYSA-N 0 1 332.385 2.787 20 5 EFBDMN Cc1ncc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000602958409 479651152 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CC(C)c1ncsc1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001134983658 1287434316 /nfs/dbraw/zinc/43/43/16/1287434316.db2.gz WRQMJQDLKJEOEC-UHFFFAOYSA-N 0 1 348.428 2.694 20 5 EFBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC=C(c3ccccn3)C2)cc1 ZINC000846924674 1280620226 /nfs/dbraw/zinc/62/02/26/1280620226.db2.gz ZIWYPDBWTUCZJR-SFHVURJKSA-N 0 1 325.368 2.813 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000846907780 1280630463 /nfs/dbraw/zinc/63/04/63/1280630463.db2.gz JGVPRHUSYSLECH-CYBMUJFWSA-N 0 1 328.328 2.888 20 5 EFBDMN CCc1cccc(CC(=O)NCCNCc2ccccc2[N+](=O)[O-])c1 ZINC001130400603 1280809242 /nfs/dbraw/zinc/80/92/42/1280809242.db2.gz DRHNMAZAJRCVHW-UHFFFAOYSA-N 0 1 341.411 2.606 20 5 EFBDMN CCC1(C(=O)NCCNCc2csc([N+](=O)[O-])c2)CCCC1 ZINC001146273730 1280864604 /nfs/dbraw/zinc/86/46/04/1280864604.db2.gz HSWRUKJVAZHJSI-UHFFFAOYSA-N 0 1 325.434 2.833 20 5 EFBDMN CC/C=C(/C)C(=O)N1CC2(C1)CCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC001147105357 1281107312 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Cc1cc(C)cc(C(=O)NCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001148992873 1281835215 /nfs/dbraw/zinc/83/52/15/1281835215.db2.gz GCLIFKAJRRLREI-UHFFFAOYSA-N 0 1 333.413 2.793 20 5 EFBDMN O=[N+]([O-])c1cccc(N2CCN(CC[C@H](O)c3ccccc3)CC2)c1 ZINC000808708292 1281867236 /nfs/dbraw/zinc/86/72/36/1281867236.db2.gz FSRWXPXBNDQUMS-IBGZPJMESA-N 0 1 341.411 2.841 20 5 EFBDMN CC(C)c1ccc(CNCCS(=O)(=O)C(C)C)cc1[N+](=O)[O-] ZINC000809790316 1282488825 /nfs/dbraw/zinc/48/88/25/1282488825.db2.gz BMRFJFOJHSXRCA-UHFFFAOYSA-N 0 1 328.434 2.631 20 5 EFBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)C1(C2CCC2)CCC1 ZINC001131941273 1282604751 /nfs/dbraw/zinc/60/47/51/1282604751.db2.gz ZVMHGJWAAGXEBD-UHFFFAOYSA-N 0 1 337.445 2.833 20 5 EFBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])C1(C2CCC2)CCC1 ZINC001131945291 1282614444 /nfs/dbraw/zinc/61/44/44/1282614444.db2.gz UYMKIPWBWQPQDR-UHFFFAOYSA-N 0 1 331.416 2.771 20 5 EFBDMN C[C@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815557363 1287595126 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Cc1cc(C)cc(CC(=O)NCCNCc2ccccc2[N+](=O)[O-])c1 ZINC001133241548 1285036450 /nfs/dbraw/zinc/03/64/50/1285036450.db2.gz MXDWJOIYZZNLGG-UHFFFAOYSA-N 0 1 341.411 2.660 20 5 EFBDMN COc1ccccc1CN(OC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000812367215 1285080387 /nfs/dbraw/zinc/08/03/87/1285080387.db2.gz VGRFQQAKYXRMGR-UHFFFAOYSA-N 0 1 332.312 2.513 20 5 EFBDMN Cc1cc(NCCCNC(=O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC001094541376 1285273275 /nfs/dbraw/zinc/27/32/75/1285273275.db2.gz LLGHFRKLUUFBCE-UHFFFAOYSA-N 0 1 348.447 2.553 20 5 EFBDMN Cc1c(CC(=O)Nc2nc(-c3cccs3)n[nH]2)cccc1[N+](=O)[O-] ZINC000747855357 1285908823 /nfs/dbraw/zinc/90/88/23/1285908823.db2.gz KSLFSPNNYNQRCK-UHFFFAOYSA-N 0 1 343.368 2.931 20 5 EFBDMN COC(=O)[C@@H]1CCCCN1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903277 1286307669 /nfs/dbraw/zinc/30/76/69/1286307669.db2.gz GJUPHFBNSXPCGU-WBVHZDCISA-N 0 1 332.400 2.870 20 5 EFBDMN Cn1ncc2c1CCN([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172921351 1286328845 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CC(CC(=O)OC(C)C)=Nc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001166729025 1312830540 /nfs/dbraw/zinc/83/05/40/1312830540.db2.gz ZNXXOQDJOAAOBM-WTKPLQERSA-N 0 1 334.307 2.944 20 5 EFBDMN CCOC1CC2(C1)CCN(Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC000795728931 1291338905 /nfs/dbraw/zinc/33/89/05/1291338905.db2.gz ZNQDMJQFYWVARV-UHFFFAOYSA-N 0 1 330.388 2.793 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN(C[C@H]2CCOC2)C2CC2)o1 ZINC000877961562 1291430152 /nfs/dbraw/zinc/43/01/52/1291430152.db2.gz NVKKXPCZPJZBRS-GFCCVEGCSA-N 0 1 344.371 2.646 20 5 EFBDMN Cc1occc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795804151 1291471372 /nfs/dbraw/zinc/47/13/72/1291471372.db2.gz QIQBINBPCKOFNV-UHFFFAOYSA-N 0 1 348.739 2.767 20 5 EFBDMN CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCCOC1 ZINC000878087104 1291487374 /nfs/dbraw/zinc/48/73/74/1291487374.db2.gz XSBPGRPOQZKCNE-GFCCVEGCSA-N 0 1 332.360 2.503 20 5 EFBDMN C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795825377 1291512697 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EFBDMN CN1CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H](c2ccccc2)C1 ZINC001163672906 1312360329 /nfs/dbraw/zinc/36/03/29/1312360329.db2.gz QHGVDDVTKFWTGZ-MRXNPFEDSA-N 0 1 337.383 2.964 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)cc(N2CCCN(Cc3ccncc3)CC2)n1 ZINC001163827796 1312389576 /nfs/dbraw/zinc/38/95/76/1312389576.db2.gz UZMKIMCATVYHGD-UHFFFAOYSA-N 0 1 347.806 2.751 20 5 EFBDMN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3c(C)ccc(C)c3[N+](=O)[O-])C[C@H]1N2C ZINC001231061165 1312421368 /nfs/dbraw/zinc/42/13/68/1312421368.db2.gz SIVJWNQQDOLTID-JONQDZQNSA-N 0 1 348.399 2.757 20 5 EFBDMN COC(=O)c1ccc([C@H](C)Oc2nc(C)cc(O)c2[N+](=O)[O-])cc1 ZINC001231259238 1312465564 /nfs/dbraw/zinc/46/55/64/1312465564.db2.gz IEPGCLAJMBOMHM-JTQLQIEISA-N 0 1 332.312 2.930 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@@H]2CCCN(CC)C2=O)cc1[N+](=O)[O-] ZINC000903391539 1312627198 /nfs/dbraw/zinc/62/71/98/1312627198.db2.gz CCCPVNQONJMBAY-GXTWGEPZSA-N 0 1 335.404 2.655 20 5 EFBDMN CN1CCN(c2cccnc2Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001211191027 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328.731 2.593 20 5 EFBDMN O=[N+]([O-])c1cc2nc(O[C@@H]3C[NH2+]CCC[C@H]3F)[n-]c2cc1Cl ZINC001217981118 1315129245 /nfs/dbraw/zinc/12/92/45/1315129245.db2.gz OLCITZHKTLFKBW-PRHODGIISA-N 0 1 328.731 2.593 20 5 EFBDMN C[C@@H]1CC[C@@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C[NH2+]1 ZINC001218398706 1315189863 /nfs/dbraw/zinc/18/98/63/1315189863.db2.gz MGQQFUVEOKOSRV-GHMZBOCLSA-N 0 1 341.363 2.877 20 5 EFBDMN O=[N+]([O-])c1cccc(Cc2nc3ccc(N4CCOCC4)cc3[nH]2)c1 ZINC001250594291 1315228118 /nfs/dbraw/zinc/22/81/18/1315228118.db2.gz FUDAZVYFWWGTBA-UHFFFAOYSA-N 0 1 338.367 2.899 20 5 EFBDMN COc1ccc2nc(-c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[nH]c2c1 ZINC001250694362 1315245096 /nfs/dbraw/zinc/24/50/96/1315245096.db2.gz UWNHGKZRWSTKQG-UHFFFAOYSA-N 0 1 347.352 2.550 20 5 EFBDMN COCOc1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(OC)c3O)nc2c1 ZINC001250818456 1315271609 /nfs/dbraw/zinc/27/16/09/1315271609.db2.gz FDJLJCOTJHRSSN-UHFFFAOYSA-N 0 1 345.311 2.835 20 5 EFBDMN O=C1COc2cc3[nH]c(-c4c(F)cccc4[N+](=O)[O-])nc3cc2N1 ZINC001250913109 1315293715 /nfs/dbraw/zinc/29/37/15/1315293715.db2.gz UDUVZGMEZKTNNR-UHFFFAOYSA-N 0 1 328.259 2.608 20 5 EFBDMN COc1c(O)ccc(-c2nc3cc4c(cc3[nH]2)OCC4)c1[N+](=O)[O-] ZINC001250980460 1315305717 /nfs/dbraw/zinc/30/57/17/1315305717.db2.gz NPPRZFKKSAHNPC-UHFFFAOYSA-N 0 1 327.296 2.787 20 5 EFBDMN CCOC(=O)C1(NC(=O)c2c3ccccc3cc3ccccc32)CNC1 ZINC001220852944 1315456974 /nfs/dbraw/zinc/45/69/74/1315456974.db2.gz DWJFTXMHCYGFQL-UHFFFAOYSA-N 0 1 348.402 2.628 20 5 EFBDMN CCc1coc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254465288 1315706578 /nfs/dbraw/zinc/70/65/78/1315706578.db2.gz XLYHEEGUHXGKAI-UHFFFAOYSA-N 0 1 330.388 2.904 20 5 EFBDMN COC(=O)c1csc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254530786 1315719101 /nfs/dbraw/zinc/71/91/01/1315719101.db2.gz BCNIVJZFWDPBJZ-JTQLQIEISA-N 0 1 335.385 2.559 20 5 EFBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(O)(C(F)(F)F)CC1 ZINC001254551819 1315722561 /nfs/dbraw/zinc/72/25/61/1315722561.db2.gz GCOYTFGFJTVHNR-LLVKDONJSA-N 0 1 332.322 2.915 20 5 EFBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@](CO)(C(F)(F)F)C1 ZINC001254552056 1315723021 /nfs/dbraw/zinc/72/30/21/1315723021.db2.gz INPOLPASXMHJBD-SMDDNHRTSA-N 0 1 332.322 2.773 20 5 EFBDMN COC[C@@H]1CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(C)nc21 ZINC001254559987 1315723724 /nfs/dbraw/zinc/72/37/24/1315723724.db2.gz DKSNRCVLQOTUIH-BBRMVZONSA-N 0 1 344.415 2.505 20 5 EFBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(Oc2cnccn2)CC1 ZINC001254563657 1315724112 /nfs/dbraw/zinc/72/41/12/1315724112.db2.gz AMFDUGUMQUMRJF-CQSZACIVSA-N 0 1 342.399 2.859 20 5 EFBDMN CCOC(=O)C1(F)CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563135 1315724175 /nfs/dbraw/zinc/72/41/75/1315724175.db2.gz UMXXROBEWHOFBP-CYBMUJFWSA-N 0 1 338.379 2.893 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1nnc(-c3ccccc3)o1)C2 ZINC001254573392 1315725981 /nfs/dbraw/zinc/72/59/81/1315725981.db2.gz YXMAHYWNEVVSQQ-OAHLLOKOSA-N 0 1 336.351 2.902 20 5 EFBDMN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cc(F)ccc1F ZINC001254588444 1315727919 /nfs/dbraw/zinc/72/79/19/1315727919.db2.gz YUQSPFUBZQYWLH-ZDUSSCGKSA-N 0 1 332.306 2.813 20 5 EFBDMN Cc1ccc2c(n1)N(C)CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254598308 1315728870 /nfs/dbraw/zinc/72/88/70/1315728870.db2.gz WGCGHFNRNZDOIQ-GOSISDBHSA-N 0 1 338.411 2.717 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCc3nc(Cl)ncc3C1)C2 ZINC001254604063 1315729644 /nfs/dbraw/zinc/72/96/44/1315729644.db2.gz UDSIZLWBXITDNE-CQSZACIVSA-N 0 1 330.775 2.564 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN(c3cccc(O)c3)CC1)C2 ZINC001254605498 1315730626 /nfs/dbraw/zinc/73/06/26/1315730626.db2.gz ALIORBVPCLSUPU-SFHVURJKSA-N 0 1 339.395 2.590 20 5 EFBDMN COc1cc2c(cn1)CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254610189 1315730964 /nfs/dbraw/zinc/73/09/64/1315730964.db2.gz IKDGUSMDUWRDGO-KRWDZBQOSA-N 0 1 325.368 2.524 20 5 EFBDMN COc1cc2c(cn1)CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254610190 1315731318 /nfs/dbraw/zinc/73/13/18/1315731318.db2.gz IKDGUSMDUWRDGO-QGZVFWFLSA-N 0 1 325.368 2.524 20 5 EFBDMN CCCC(=O)N1CC2(C1)CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC001050409025 1315768238 /nfs/dbraw/zinc/76/82/38/1315768238.db2.gz IFSXYASAJYSHIZ-UHFFFAOYSA-N 0 1 331.416 2.819 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nnc([C@H]4CCOC4)o3)[nH]n2)cc1 ZINC001255594291 1315845948 /nfs/dbraw/zinc/84/59/48/1315845948.db2.gz NQTVEXSEPFUKBX-JTQLQIEISA-N 0 1 327.300 2.539 20 5 EFBDMN C[C@@H]1C[C@@H]1c1nnc(-c2cc([N+](=O)[O-])cc(N3CCN(C)CC3)c2)o1 ZINC001256761525 1315990487 /nfs/dbraw/zinc/99/04/87/1315990487.db2.gz LNXJDUHYZVSESA-ABAIWWIYSA-N 0 1 343.387 2.520 20 5 EFBDMN Cc1c(-c2nnc(CCN3C[C@@H](C)O[C@@H](C)C3)o2)cccc1[N+](=O)[O-] ZINC001258019621 1316112243 /nfs/dbraw/zinc/11/22/43/1316112243.db2.gz OBZQVEIVBGUWMG-TXEJJXNPSA-N 0 1 346.387 2.605 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(-c2nnc(CCN3C[C@H](C)O[C@@H](C)C3)o2)c1 ZINC001258020311 1316112759 /nfs/dbraw/zinc/11/27/59/1316112759.db2.gz QSHFJULYCFDGFT-STQMWFEESA-N 0 1 346.387 2.605 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1-c1nnc(CCN2C[C@H](C)O[C@@H](C)C2)o1 ZINC001258020350 1316113023 /nfs/dbraw/zinc/11/30/23/1316113023.db2.gz RPHIXOPAFSGLRS-STQMWFEESA-N 0 1 346.387 2.605 20 5 EFBDMN Cc1ccc([C@H](CNc2c(C)cncc2[N+](=O)[O-])N2CCCC2)o1 ZINC001258054793 1316116455 /nfs/dbraw/zinc/11/64/55/1316116455.db2.gz BXEXKGGHZISTEU-AWEZNQCLSA-N 0 1 330.388 2.871 20 5 EFBDMN Cc1cc(Cl)c(C(=O)NC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001262653101 1316477550 /nfs/dbraw/zinc/47/75/50/1316477550.db2.gz ZQIMKSNOKOMUBR-LLVKDONJSA-N 0 1 325.796 2.771 20 5 EFBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CC3CCCC3)c2)CC1 ZINC001262812170 1316493212 /nfs/dbraw/zinc/49/32/12/1316493212.db2.gz MYKFJFBVJGXYQM-UHFFFAOYSA-N 0 1 346.431 2.865 20 5 EFBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC001318876902 1328730350 /nfs/dbraw/zinc/73/03/50/1328730350.db2.gz HZEZWCABFMLBGG-UHFFFAOYSA-N 0 1 339.355 2.751 20 5 EFBDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319295668 1328837643 /nfs/dbraw/zinc/83/76/43/1328837643.db2.gz MGXIKYKESHWLFO-UHFFFAOYSA-N 0 1 340.261 2.801 20 5 EFBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC001320052096 1329065233 /nfs/dbraw/zinc/06/52/33/1329065233.db2.gz LGICAPIJUVUEHL-OLZOCXBDSA-N 0 1 331.372 2.852 20 5 EFBDMN Cc1c(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)ccc2cncn21 ZINC001320170962 1329099559 /nfs/dbraw/zinc/09/95/59/1329099559.db2.gz QBOISJNAAIUTJK-UHFFFAOYSA-N 0 1 339.307 2.591 20 5 EFBDMN C[C@H](NC(=O)c1ccn(-c2ccncc2)n1)c1cccc([N+](=O)[O-])c1 ZINC001320795914 1329303062 /nfs/dbraw/zinc/30/30/62/1329303062.db2.gz GOQSEZMMPQSRPI-LBPRGKRZSA-N 0 1 337.339 2.667 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC(Nc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001320927367 1329320170 /nfs/dbraw/zinc/32/01/70/1329320170.db2.gz BKFSXCPGTOWECA-UHFFFAOYSA-N 0 1 343.387 2.597 20 5 EFBDMN Cc1nc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)cc2o1 ZINC001320981062 1329327567 /nfs/dbraw/zinc/32/75/67/1329327567.db2.gz IQYPMQLCVUEADX-UHFFFAOYSA-N 0 1 333.325 2.845 20 5 EFBDMN Cc1cncc([N+](=O)[O-])c1NC[C@H](C)N1CCc2ccccc2C1 ZINC001322470958 1329460883 /nfs/dbraw/zinc/46/08/83/1329460883.db2.gz YEFKMUAQVXCFRN-AWEZNQCLSA-N 0 1 326.400 2.579 20 5 EFBDMN CC[C@@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001326650137 1330337137 /nfs/dbraw/zinc/33/71/37/1330337137.db2.gz QKMOBHCELBNSRQ-GFCCVEGCSA-N 0 1 342.237 2.883 20 5 EFBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc[nH]1 ZINC001327964057 1330535456 /nfs/dbraw/zinc/53/54/56/1330535456.db2.gz RTBNSAPRZFPPDN-UHFFFAOYSA-N 0 1 336.373 2.962 20 5 EFBDMN CN(Cc1cnc[nH]1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001328426135 1330590787 /nfs/dbraw/zinc/59/07/87/1330590787.db2.gz YFPPACHVXSDTON-UHFFFAOYSA-N 0 1 325.166 2.712 20 5 EFBDMN Cc1nn(CN2CCN([C@H](C)c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC001331051841 1330788444 /nfs/dbraw/zinc/78/84/44/1330788444.db2.gz WSFOCNMGVSGKOY-OAHLLOKOSA-N 0 1 343.431 2.744 20 5 EFBDMN C[C@H](CN1CCN(C)CC1)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001333361892 1331125328 /nfs/dbraw/zinc/12/53/28/1331125328.db2.gz AMPLIWLKKRWJHP-LLVKDONJSA-N 0 1 346.353 2.661 20 5 EFBDMN CC(C)OCCN1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001333380489 1331130460 /nfs/dbraw/zinc/13/04/60/1331130460.db2.gz QXWSFXWLSZQVJU-UHFFFAOYSA-N 0 1 344.415 2.690 20 5 EFBDMN C[C@](N)(C(=O)NCc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC001335738790 1331396579 /nfs/dbraw/zinc/39/65/79/1331396579.db2.gz GRROEKVMVMSSDS-LJQANCHMSA-N 0 1 339.395 2.574 20 5 EFBDMN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC001336721451 1331496119 /nfs/dbraw/zinc/49/61/19/1331496119.db2.gz HSJLKAQTNGIPJV-PXAZEXFGSA-N 0 1 340.383 2.866 20 5 EFBDMN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC001336915259 1331517212 /nfs/dbraw/zinc/51/72/12/1331517212.db2.gz DLOWJEDEMRDAKA-UHFFFAOYSA-N 0 1 346.734 2.624 20 5 EFBDMN CC[C@@H](C)[C@H](C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001339066047 1331782101 /nfs/dbraw/zinc/78/21/01/1331782101.db2.gz OABPJEYPXODFAW-KGLIPLIRSA-N 0 1 348.447 2.967 20 5 EFBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3n1CCN[C@@H]3C)CC2 ZINC001340427314 1332192965 /nfs/dbraw/zinc/19/29/65/1332192965.db2.gz DJUCJSORFRRWJB-GFCCVEGCSA-N 0 1 340.383 2.572 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NC)n[nH]1 ZINC001343635613 1332364541 /nfs/dbraw/zinc/36/45/41/1332364541.db2.gz RRDNKPPUOHZTKW-ZJUUUORDSA-N 0 1 346.391 2.759 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)c2ncnc(NCc3n[nH]c(C4CC4)n3)c2c1 ZINC001347245078 1332727797 /nfs/dbraw/zinc/72/77/97/1332727797.db2.gz XSTURJHBNCGKTM-UHFFFAOYSA-N 0 1 345.750 2.799 20 5 EFBDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001348052962 1332795983 /nfs/dbraw/zinc/79/59/83/1332795983.db2.gz VHPGUKUZHCKILY-BMIGLBTASA-N 0 1 326.356 2.526 20 5 EFBDMN COc1ccc(-c2nnc([C@@H]3C[C@H]3[N+](=O)[O-])o2)cc1Br ZINC001349987343 1333022109 /nfs/dbraw/zinc/02/21/09/1333022109.db2.gz FXTRQBORAYFEJU-VXNVDRBHSA-N 0 1 340.133 2.640 20 5 EFBDMN Cc1ccc(C)c(S(=O)(=O)NC2(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC001350085965 1333033434 /nfs/dbraw/zinc/03/34/34/1333033434.db2.gz OLORZDMOJIUGSR-UHFFFAOYSA-N 0 1 338.307 2.585 20 5 EFBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1cc(C2CC2)[nH]n1 ZINC000848014135 1334153215 /nfs/dbraw/zinc/15/32/15/1334153215.db2.gz IRNKEZXREAQSCQ-UHFFFAOYSA-N 0 1 340.339 2.893 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCn3c(Cl)ccc3[C@H]2C)c1[N+](=O)[O-] ZINC000848091532 1334279814 /nfs/dbraw/zinc/27/98/14/1334279814.db2.gz XLMMAEOFKZXFAO-MRVPVSSYSA-N 0 1 337.767 2.552 20 5 EFBDMN CN(C[C@@H]1CCCOC1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848479059 1334737087 /nfs/dbraw/zinc/73/70/87/1334737087.db2.gz ZMIJNZLDSKZQJZ-AWEZNQCLSA-N 0 1 330.388 2.774 20 5 EFBDMN CC1(C)CN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CCCO1 ZINC000848478527 1334737423 /nfs/dbraw/zinc/73/74/23/1334737423.db2.gz JEPTYOIHNZNJRG-UHFFFAOYSA-N 0 1 330.388 2.917 20 5 EFBDMN C[C@@]1(O)CCCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848487741 1334744253 /nfs/dbraw/zinc/74/42/53/1334744253.db2.gz VWPDOLIWIXIAKO-QGZVFWFLSA-N 0 1 330.388 2.653 20 5 EFBDMN CCOC(=O)CCN(Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C(C)C ZINC000848502704 1334761699 /nfs/dbraw/zinc/76/16/99/1334761699.db2.gz WXLBDJYYVWUURK-UHFFFAOYSA-N 0 1 348.403 2.874 20 5 EFBDMN C[C@@H](N[C@H]1CCc2ccccc2NC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557095 1334793589 /nfs/dbraw/zinc/79/35/89/1334793589.db2.gz CKWVAPUUYJQZCB-BZNIZROVSA-N 0 1 340.383 2.781 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)c(CNCc2n[nH]c([C@H]3CCCO3)n2)c1 ZINC000848562848 1334796842 /nfs/dbraw/zinc/79/68/42/1334796842.db2.gz NUEAOSQQMPTIQY-GFCCVEGCSA-N 0 1 337.767 2.508 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001357291338 1335297115 /nfs/dbraw/zinc/29/71/15/1335297115.db2.gz KRUSNTLQRUKEGT-UKRRQHHQSA-N 0 1 334.420 2.748 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000849346212 1335595733 /nfs/dbraw/zinc/59/57/33/1335595733.db2.gz QNBXEPYGISQMCH-HZMVEIRTSA-N 0 1 348.399 2.594 20 5 EFBDMN C[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1F)c1cccc([N+](=O)[O-])c1 ZINC000824617891 1428728418 /nfs/dbraw/zinc/72/84/18/1428728418.db2.gz LBXVBUCPIZFPGG-SNVBAGLBSA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736203974 1443441329 /nfs/dbraw/zinc/44/13/29/1443441329.db2.gz PBAFPWCERXHRNR-GFCCVEGCSA-N 0 1 338.371 2.968 20 5 EFBDMN O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)o2)C2CC2)c1 ZINC000826499497 1450265770 /nfs/dbraw/zinc/26/57/70/1450265770.db2.gz KWEMUDQKWSNMJF-UHFFFAOYSA-N 0 1 340.343 2.533 20 5 EFBDMN O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C2CC2)c1 ZINC000826499497 1450265774 /nfs/dbraw/zinc/26/57/74/1450265774.db2.gz KWEMUDQKWSNMJF-UHFFFAOYSA-N 0 1 340.343 2.533 20 5 EFBDMN CCc1ccoc1C(=O)N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001020550879 713154810 /nfs/dbraw/zinc/15/48/10/713154810.db2.gz SHBVGOCERMEWGO-JOCQHMNTSA-N 0 1 349.412 2.862 20 5 EFBDMN CN(Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000804812220 713478920 /nfs/dbraw/zinc/47/89/20/713478920.db2.gz LBSPZBWWYAZPLP-UHFFFAOYSA-N 0 1 342.355 2.824 20 5 EFBDMN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cc(F)c(O)c(F)c1 ZINC000175901500 714055218 /nfs/dbraw/zinc/05/52/18/714055218.db2.gz VPVPICKPBFLRAN-AWNIVKPZSA-N 0 1 346.245 2.923 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000160662866 714398074 /nfs/dbraw/zinc/39/80/74/714398074.db2.gz NNSKWGUNPZAYQT-MRXNPFEDSA-N 0 1 349.337 2.906 20 5 EFBDMN COc1ccc(C[C@@](C)(CO)NCc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000933426046 714774042 /nfs/dbraw/zinc/77/40/42/714774042.db2.gz TUOHGZQJXIGVNF-SFHVURJKSA-N 0 1 348.374 2.826 20 5 EFBDMN COc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000891493865 714783500 /nfs/dbraw/zinc/78/35/00/714783500.db2.gz YPVPYLIZECOSAE-ZDUSSCGKSA-N 0 1 332.360 2.840 20 5 EFBDMN COc1ccccc1[C@@H](CNc1c([N+](=O)[O-])cnn1C)N1CCCC1 ZINC000891499603 714787257 /nfs/dbraw/zinc/78/72/57/714787257.db2.gz WCEAGRMBCASDPB-CQSZACIVSA-N 0 1 345.403 2.586 20 5 EFBDMN CCc1ccc(C(=O)N[C@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C2)o1 ZINC001022295070 714981298 /nfs/dbraw/zinc/98/12/98/714981298.db2.gz GNGXWLQXAYKTAK-TXEJJXNPSA-N 0 1 349.412 2.862 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(O)c(F)c3)C2)nc1 ZINC000892078627 715244084 /nfs/dbraw/zinc/24/40/84/715244084.db2.gz PAFWCIPLHMUJSM-LBPRGKRZSA-N 0 1 332.335 2.521 20 5 EFBDMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000091132731 715350832 /nfs/dbraw/zinc/35/08/32/715350832.db2.gz MYMOFRXWHHZRFV-NSHDSACASA-N 0 1 330.793 2.640 20 5 EFBDMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000091132731 715350835 /nfs/dbraw/zinc/35/08/35/715350835.db2.gz MYMOFRXWHHZRFV-NSHDSACASA-N 0 1 330.793 2.640 20 5 EFBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000934574377 715685540 /nfs/dbraw/zinc/68/55/40/715685540.db2.gz GIHRQOHATVUPAF-QMTHXVAHSA-N 0 1 335.429 2.529 20 5 EFBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000310209440 717456120 /nfs/dbraw/zinc/45/61/20/717456120.db2.gz IOUQFEPRKCFLFM-AWEZNQCLSA-N 0 1 343.358 2.738 20 5 EFBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000310209441 717456293 /nfs/dbraw/zinc/45/62/93/717456293.db2.gz IOUQFEPRKCFLFM-CQSZACIVSA-N 0 1 343.358 2.738 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179643027 717820302 /nfs/dbraw/zinc/82/03/02/717820302.db2.gz NUTBROADJHLWBE-UHFFFAOYSA-N 0 1 337.313 2.612 20 5 EFBDMN CN(C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000177643022 718145699 /nfs/dbraw/zinc/14/56/99/718145699.db2.gz AMIHSUIHALEVLC-UHFFFAOYSA-N 0 1 334.763 2.957 20 5 EFBDMN CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](N3CC=CC3)C2)cc1C ZINC000892679850 718591382 /nfs/dbraw/zinc/59/13/82/718591382.db2.gz RXEOCOBGLCZADZ-AWEZNQCLSA-N 0 1 345.399 2.530 20 5 EFBDMN CC(C)=CC(=O)N1CC2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981592926 718857000 /nfs/dbraw/zinc/85/70/00/718857000.db2.gz KLUSJTRLRVAJSE-UHFFFAOYSA-N 0 1 343.427 2.985 20 5 EFBDMN CC(C)=CC(=O)N1CC2(C1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000981593252 718857670 /nfs/dbraw/zinc/85/76/70/718857670.db2.gz UTLKHFQAMZBFCT-UHFFFAOYSA-N 0 1 343.427 2.985 20 5 EFBDMN CCOC(=O)N1CC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893654195 719153078 /nfs/dbraw/zinc/15/30/78/719153078.db2.gz FPCORWUNHWYRMS-GFCCVEGCSA-N 0 1 327.768 2.569 20 5 EFBDMN C[C@@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1C ZINC001164632210 719178246 /nfs/dbraw/zinc/17/82/46/719178246.db2.gz DIGYNTYYYFHPJE-ZJUUUORDSA-N 0 1 335.795 2.720 20 5 EFBDMN C[C@@H]1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])[C@H](C)CN1C ZINC001164634156 719178578 /nfs/dbraw/zinc/17/85/78/719178578.db2.gz ILDFHUXHOQHSOH-NXEZZACHSA-N 0 1 335.795 2.720 20 5 EFBDMN Cc1ccc(-c2ccc(N3C[C@@H](C)N(C)C[C@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164634120 719223260 /nfs/dbraw/zinc/22/32/60/719223260.db2.gz FTSNKOJEEPFOIO-ZIAGYGMSSA-N 0 1 341.415 2.889 20 5 EFBDMN O=C(CC1CCCC1)N[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025657799 719290731 /nfs/dbraw/zinc/29/07/31/719290731.db2.gz JKCQGPFGUABMTE-MNZLEMJZSA-N 0 1 343.427 2.722 20 5 EFBDMN CCC(=O)N1C[C@@]2(C)CN(Cc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982178883 719631460 /nfs/dbraw/zinc/63/14/60/719631460.db2.gz WRYMPZLNQPXVJW-HDICACEKSA-N 0 1 331.416 2.675 20 5 EFBDMN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](Nc3cc(C)ccc3[N+](=O)[O-])C2)c1C ZINC001059588968 724660840 /nfs/dbraw/zinc/66/08/40/724660840.db2.gz QBSPDRXFQWEOHL-BETUJISGSA-N 0 1 343.387 2.616 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164721414 720334311 /nfs/dbraw/zinc/33/43/11/720334311.db2.gz BYQMKXOABCVMSD-SJORKVTESA-N 0 1 339.399 2.546 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164721411 720334619 /nfs/dbraw/zinc/33/46/19/720334619.db2.gz BYQMKXOABCVMSD-IAGOWNOFSA-N 0 1 339.399 2.546 20 5 EFBDMN Cc1cc(Cl)c(C(=O)NCc2cc(N(C)C)ccn2)cc1[N+](=O)[O-] ZINC000927697368 720720779 /nfs/dbraw/zinc/72/07/79/720720779.db2.gz MGOAKQGZEKEACK-UHFFFAOYSA-N 0 1 348.790 2.948 20 5 EFBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(F)ccc1F ZINC000047417718 721065721 /nfs/dbraw/zinc/06/57/21/721065721.db2.gz USXOVGMXGRPKLR-UHFFFAOYSA-N 0 1 332.259 2.813 20 5 EFBDMN Cc1ccc(F)c(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000047417812 721065843 /nfs/dbraw/zinc/06/58/43/721065843.db2.gz KSYNILNKXRMRGH-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN NC1(c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)CCCC1 ZINC000261851128 721789998 /nfs/dbraw/zinc/78/99/98/721789998.db2.gz SUORPRRVSFWPCO-UHFFFAOYSA-N 0 1 329.360 2.947 20 5 EFBDMN COCCOc1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000894273519 721872407 /nfs/dbraw/zinc/87/24/07/721872407.db2.gz RZNRQVOKNMXRKN-UHFFFAOYSA-N 0 1 334.372 2.888 20 5 EFBDMN COc1c(O)ccc(CN2CCC3(CCOCC3)CC2)c1[N+](=O)[O-] ZINC000894299401 722002706 /nfs/dbraw/zinc/00/27/06/722002706.db2.gz FFISWRFEJBTIAT-UHFFFAOYSA-N 0 1 336.388 2.702 20 5 EFBDMN COCC1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000895971185 723077163 /nfs/dbraw/zinc/07/71/63/723077163.db2.gz NAYPYMIQUPTSKB-UHFFFAOYSA-N 0 1 332.356 2.942 20 5 EFBDMN COc1c(O)ccc(CNCc2ccc3c(c2)C[C@@H](C)O3)c1[N+](=O)[O-] ZINC000896827740 723509590 /nfs/dbraw/zinc/50/95/90/723509590.db2.gz BSIKMTLZCGQGPC-LLVKDONJSA-N 0 1 344.367 2.922 20 5 EFBDMN C[C@@H](Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895248381 723937314 /nfs/dbraw/zinc/93/73/14/723937314.db2.gz KSXIYKDLWUVFRY-SKDRFNHKSA-N 0 1 347.246 2.948 20 5 EFBDMN C[C@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000895249719 723938476 /nfs/dbraw/zinc/93/84/76/723938476.db2.gz VADKNPQETWQUDN-GXFFZTMASA-N 0 1 346.353 2.660 20 5 EFBDMN CCCC(=O)N1CCC([N@@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000985213286 723993493 /nfs/dbraw/zinc/99/34/93/723993493.db2.gz OLMUCINJHWFYNU-UHFFFAOYSA-N 0 1 325.434 2.879 20 5 EFBDMN CCCC(=O)N1CCC(N(C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000985213286 723993498 /nfs/dbraw/zinc/99/34/98/723993498.db2.gz OLMUCINJHWFYNU-UHFFFAOYSA-N 0 1 325.434 2.879 20 5 EFBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897262069 724145595 /nfs/dbraw/zinc/14/55/95/724145595.db2.gz UFJHYVCNUKXGJH-IMMZDGJCSA-N 0 1 332.400 2.614 20 5 EFBDMN Cc1cc(N2CC[C@H](C3OCCO3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000895525555 724178048 /nfs/dbraw/zinc/17/80/48/724178048.db2.gz YGOVGUMOJCYYLW-LBPRGKRZSA-N 0 1 329.356 2.651 20 5 EFBDMN CCO/C=C\[C@@](O)(CNCc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000895707717 724266920 /nfs/dbraw/zinc/26/69/20/724266920.db2.gz MPNYELFYVFEUOG-LMVHVUTASA-N 0 1 348.321 2.836 20 5 EFBDMN Cc1ccc2nc(CNC(=O)c3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000174865772 728899289 /nfs/dbraw/zinc/89/92/89/728899289.db2.gz GVTBTPRPSCIFIM-UHFFFAOYSA-N 0 1 328.303 2.849 20 5 EFBDMN Cc1ccc([C@H](O)CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000174734718 725964728 /nfs/dbraw/zinc/96/47/28/725964728.db2.gz QRISVPDDFOLYLT-LJQANCHMSA-N 0 1 341.411 2.759 20 5 EFBDMN CCCn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000174744344 726293679 /nfs/dbraw/zinc/29/36/79/726293679.db2.gz YHOHSSDSFUMBHK-UHFFFAOYSA-N 0 1 344.780 2.656 20 5 EFBDMN Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000153026061 726375058 /nfs/dbraw/zinc/37/50/58/726375058.db2.gz WTYNOABEQUDELS-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@@H](c4ccco4)C3)n2)cc1 ZINC000732182991 727001470 /nfs/dbraw/zinc/00/14/70/727001470.db2.gz KRCNGGUTMWAAIS-CQSZACIVSA-N 0 1 339.355 2.893 20 5 EFBDMN CCc1cc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000732792203 727230786 /nfs/dbraw/zinc/23/07/86/727230786.db2.gz ZRVCCGOZEYPZAQ-JTQLQIEISA-N 0 1 334.401 2.677 20 5 EFBDMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000910346687 727432893 /nfs/dbraw/zinc/43/28/93/727432893.db2.gz SUAHSWSUSWWDKO-CHWSQXEVSA-N 0 1 335.404 2.754 20 5 EFBDMN C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000910362511 727434177 /nfs/dbraw/zinc/43/41/77/727434177.db2.gz FXGUOSMROZNEEP-MRXNPFEDSA-N 0 1 341.367 2.821 20 5 EFBDMN C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000910362509 727434184 /nfs/dbraw/zinc/43/41/84/727434184.db2.gz FXGUOSMROZNEEP-INIZCTEOSA-N 0 1 341.367 2.821 20 5 EFBDMN CCC[N@H+]1CCC[C@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000910354771 727436350 /nfs/dbraw/zinc/43/63/50/727436350.db2.gz BAEQUHZTGPOHNG-QPBFKRLHSA-N 0 1 333.388 2.979 20 5 EFBDMN C[C@H]1CCCC[N@H+]1CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000917069428 727763757 /nfs/dbraw/zinc/76/37/57/727763757.db2.gz WXVZCDYYTLADFX-CFNZNRNTSA-N 0 1 333.388 2.979 20 5 EFBDMN C[C@@H]1CCC[N@@H+](CCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000917069480 727763787 /nfs/dbraw/zinc/76/37/87/727763787.db2.gz ZYXPDTYMRJJVOX-SCXUMTSISA-N 0 1 333.388 2.836 20 5 EFBDMN C[C@@H]1CCCC[N@H+]1CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000917069429 727763878 /nfs/dbraw/zinc/76/38/78/727763878.db2.gz WXVZCDYYTLADFX-FWPCIQOSSA-N 0 1 333.388 2.979 20 5 EFBDMN CN(OCc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000156336825 727905177 /nfs/dbraw/zinc/90/51/77/727905177.db2.gz KBACJQWHEWLBBC-UHFFFAOYSA-N 0 1 326.312 2.675 20 5 EFBDMN Cc1cccc2c1CCN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000171541580 728539436 /nfs/dbraw/zinc/53/94/36/728539436.db2.gz POJLOTGOXRLPLT-UHFFFAOYSA-N 0 1 336.351 2.978 20 5 EFBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000062935386 948967278 /nfs/dbraw/zinc/96/72/78/948967278.db2.gz NWYWBCXQUJYMLY-ZDUSSCGKSA-N 0 1 343.177 2.654 20 5 EFBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC001589606256 949276927 /nfs/dbraw/zinc/27/69/27/949276927.db2.gz GXEKRSDXEKSZFB-INIZCTEOSA-N 0 1 340.351 2.819 20 5 EFBDMN O=C([O-])CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001595019317 951312571 /nfs/dbraw/zinc/31/25/71/951312571.db2.gz RKHAJKIYOICRSV-ZDUSSCGKSA-N 0 1 349.387 2.500 20 5 EFBDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001589280292 953495306 /nfs/dbraw/zinc/49/53/06/953495306.db2.gz CIBBAIWLUQYALD-AAEUAGOBSA-N 0 1 345.355 2.792 20 5 EFBDMN C[C@@H](C[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001589034239 955551132 /nfs/dbraw/zinc/55/11/32/955551132.db2.gz USALUQFHCHELKA-QMMMGPOBSA-N 0 1 331.166 2.510 20 5 EFBDMN C[C@@]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)(C(=O)[O-])c1ccccc1 ZINC001603248610 972414245 /nfs/dbraw/zinc/41/42/45/972414245.db2.gz JPMTZJYQXMHKJD-INIZCTEOSA-N 0 1 336.294 2.963 20 5 EFBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001573712742 959859526 /nfs/dbraw/zinc/85/95/26/959859526.db2.gz VIJDHGKYIRPWTC-WCQYABFASA-N 0 1 345.355 2.935 20 5 EFBDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1Br ZINC000232583470 960284706 /nfs/dbraw/zinc/28/47/06/960284706.db2.gz NSKSERKLUPNPTF-UHFFFAOYSA-N 0 1 345.193 2.900 20 5 EFBDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)C(=O)[O-] ZINC000707972825 969030902 /nfs/dbraw/zinc/03/09/02/969030902.db2.gz PQCAHUUHXHLZIZ-QMMMGPOBSA-N 0 1 331.166 2.652 20 5 EFBDMN O=C([O-])CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001606128603 973374800 /nfs/dbraw/zinc/37/48/00/973374800.db2.gz PVLVTUGRDHZHDJ-CYBMUJFWSA-N 0 1 349.387 2.500 20 5 EFBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccnc1 ZINC001592328303 977746212 /nfs/dbraw/zinc/74/62/12/977746212.db2.gz KPTSCHLWOZQCRL-INIZCTEOSA-N 0 1 333.319 2.609 20 5 EFBDMN O=C([O-])CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCOCC1 ZINC000843041077 979330604 /nfs/dbraw/zinc/33/06/04/979330604.db2.gz NKPMWHCLOLZFOA-UHFFFAOYSA-N 0 1 342.779 2.704 20 5 EFBDMN C[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000844212012 979368399 /nfs/dbraw/zinc/36/83/99/979368399.db2.gz NYIFWTXSBDWFBE-CYBMUJFWSA-N 0 1 347.415 2.533 20 5 EFBDMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000872167699 980068833 /nfs/dbraw/zinc/06/88/33/980068833.db2.gz HHRQSGCSTYMFMS-WBVHZDCISA-N 0 1 334.372 2.693 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000901678850 980441726 /nfs/dbraw/zinc/44/17/26/980441726.db2.gz QNANTTJRABSHNY-IDKBZEPQSA-N 0 1 348.399 2.954 20 5 EFBDMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901785091 980514960 /nfs/dbraw/zinc/51/49/60/980514960.db2.gz CIMDLCYCOPHVCZ-MFBWXBCUSA-N 0 1 344.289 2.947 20 5 EFBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000902007663 980685192 /nfs/dbraw/zinc/68/51/92/980685192.db2.gz NRLAUVXJWKSMIF-SNVBAGLBSA-N 0 1 330.287 2.635 20 5 EFBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000902009855 980688006 /nfs/dbraw/zinc/68/80/06/980688006.db2.gz JKTCWYOBNZAQBK-SECBINFHSA-N 0 1 343.177 2.796 20 5 EFBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000902456160 980895782 /nfs/dbraw/zinc/89/57/82/980895782.db2.gz OSLNRKAAZSOFFY-UHFFFAOYSA-N 0 1 344.367 2.733 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]([C@H]2CCCO2)C1 ZINC000903942662 981065760 /nfs/dbraw/zinc/06/57/60/981065760.db2.gz FDMBLNZFBJFIQO-FRRDWIJNSA-N 0 1 340.401 2.501 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]([C@H]2CCCO2)C1 ZINC000903942662 981065765 /nfs/dbraw/zinc/06/57/65/981065765.db2.gz FDMBLNZFBJFIQO-FRRDWIJNSA-N 0 1 340.401 2.501 20 5 EFBDMN CC[N@H+]1CCC[C@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001120426187 983029484 /nfs/dbraw/zinc/02/94/84/983029484.db2.gz DSTGRWWPRGQART-IQCBXXCUSA-N 0 1 333.388 2.836 20 5 EFBDMN C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC001594534862 986145128 /nfs/dbraw/zinc/14/51/28/986145128.db2.gz KWNPXCJBUGMSMP-ZDUSSCGKSA-N 0 1 347.415 2.599 20 5 EFBDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001589732080 987955333 /nfs/dbraw/zinc/95/53/33/987955333.db2.gz JTLWDKMBOBDVND-ZDUSSCGKSA-N 0 1 336.388 2.926 20 5 EFBDMN C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C(=O)[O-])O1 ZINC001599866729 989277163 /nfs/dbraw/zinc/27/71/63/989277163.db2.gz NWQXAYHJPBOWAF-BZNIZROVSA-N 0 1 346.339 2.529 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C(=O)[O-])O1 ZINC001599866729 989277172 /nfs/dbraw/zinc/27/71/72/989277172.db2.gz NWQXAYHJPBOWAF-BZNIZROVSA-N 0 1 346.339 2.529 20 5 EFBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC001598506766 992513449 /nfs/dbraw/zinc/51/34/49/992513449.db2.gz GJISOXKXSHZBSF-GOSISDBHSA-N 0 1 344.367 2.633 20 5 EFBDMN C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598517964 992641427 /nfs/dbraw/zinc/64/14/27/992641427.db2.gz MJFIVWWDEHPPIW-AWEZNQCLSA-N 0 1 342.779 2.702 20 5 EFBDMN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001591600737 992832519 /nfs/dbraw/zinc/83/25/19/992832519.db2.gz UINMXFXGIHIYGO-STQMWFEESA-N 0 1 328.315 2.771 20 5 EFBDMN C[N@H+]1C[C@@]23CN(c4cc(C(=O)[O-])ccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001598572820 993226074 /nfs/dbraw/zinc/22/60/74/993226074.db2.gz MYUXUAWFJIDYAW-HDICACEKSA-N 0 1 345.399 2.605 20 5 EFBDMN COc1ccc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c(OC)c1 ZINC001599532761 997686720 /nfs/dbraw/zinc/68/67/20/997686720.db2.gz VSFUEIFFFYMDIA-MRXNPFEDSA-N 0 1 346.339 2.528 20 5 EFBDMN COc1ccc(C[N@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001599564676 998264635 /nfs/dbraw/zinc/26/46/35/998264635.db2.gz PXIVCBDGPGUBNL-CXAGYDPISA-N 0 1 334.372 2.680 20 5 EFBDMN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC[N@H+]1C ZINC001594267456 999037638 /nfs/dbraw/zinc/03/76/38/999037638.db2.gz YCIRPBWDCWWEQK-DTWKUNHWSA-N 0 1 327.768 2.841 20 5 EFBDMN COc1ccccc1C[C@@](C)(CO)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000931602497 1126136234 /nfs/dbraw/zinc/13/62/34/1126136234.db2.gz FKZQLCSLPAHCPQ-SFHVURJKSA-N 0 1 348.374 2.826 20 5 EFBDMN C[C@H]1C[C@H](CNC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC001576589491 1089339621 /nfs/dbraw/zinc/33/96/21/1089339621.db2.gz QFKBBBLIDKULAR-KHSSZTOVSA-N 0 1 333.432 2.957 20 5 EFBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(-c2cn[nH]n2)cc1 ZINC001576852607 1089490137 /nfs/dbraw/zinc/49/01/37/1089490137.db2.gz CRBUYAWTLXREDS-UHFFFAOYSA-N 0 1 337.339 2.652 20 5 EFBDMN Cc1ccc(C(=O)NC2(Cc3c[nH]nn3)CCCCC2)cc1[N+](=O)[O-] ZINC001577369171 1089878688 /nfs/dbraw/zinc/87/86/88/1089878688.db2.gz JELXFFHFXJVYLJ-UHFFFAOYSA-N 0 1 343.387 2.697 20 5 EFBDMN Cc1ccc(C(=O)NC2(Cc3cnn[nH]3)CCCCC2)cc1[N+](=O)[O-] ZINC001577369171 1089878699 /nfs/dbraw/zinc/87/86/99/1089878699.db2.gz JELXFFHFXJVYLJ-UHFFFAOYSA-N 0 1 343.387 2.697 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](c1c[nH]nn1)C(C)(C)C ZINC001577406301 1089923089 /nfs/dbraw/zinc/92/30/89/1089923089.db2.gz RVTWVCATRXDSFM-CQSZACIVSA-N 0 1 331.376 2.847 20 5 EFBDMN COc1cccc2c1CC[C@]2(N)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001579291678 1090581190 /nfs/dbraw/zinc/58/11/90/1090581190.db2.gz OJJGRPZUALHZBN-GOSISDBHSA-N 0 1 341.367 2.651 20 5 EFBDMN Cc1c(NC(=O)N2CCN[C@@H](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579542443 1090630707 /nfs/dbraw/zinc/63/07/07/1090630707.db2.gz VLQBLXFCOAUKTF-QMMMGPOBSA-N 0 1 346.309 2.748 20 5 EFBDMN Cc1cc(Cl)c(C(=O)N2CCNC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001579605522 1090641776 /nfs/dbraw/zinc/64/17/76/1090641776.db2.gz UJVKYVBROYTTOI-CQSZACIVSA-N 0 1 325.796 2.627 20 5 EFBDMN C[C@H](NCc1cccc(F)c1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001580441024 1090900279 /nfs/dbraw/zinc/90/02/79/1090900279.db2.gz GYITUQULUKFSIX-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN Cc1cc(-c2nn[nH]n2)ccc1CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001580624824 1090972010 /nfs/dbraw/zinc/97/20/10/1090972010.db2.gz YSTRNYNQDGVSST-LBPRGKRZSA-N 0 1 338.371 2.934 20 5 EFBDMN CC(C)(C)[C@@H]1CCC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589104068 1093033069 /nfs/dbraw/zinc/03/30/69/1093033069.db2.gz YPOKRUUXEAEKGK-AWEZNQCLSA-N 0 1 330.392 2.785 20 5 EFBDMN CC(C)[NH+](CCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)C ZINC001589696406 1093127941 /nfs/dbraw/zinc/12/79/41/1093127941.db2.gz CCGVDJJEKFBUDW-UHFFFAOYSA-N 0 1 347.423 2.696 20 5 EFBDMN CC(C)[NH+](CCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)C ZINC001589696406 1093127945 /nfs/dbraw/zinc/12/79/45/1093127945.db2.gz CCGVDJJEKFBUDW-UHFFFAOYSA-N 0 1 347.423 2.696 20 5 EFBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(-c2nn[nH]n2)ccn1 ZINC001589950977 1093190364 /nfs/dbraw/zinc/19/03/64/1093190364.db2.gz ZDZNQGBFIHRVGC-WDEREUQCSA-N 0 1 339.359 2.582 20 5 EFBDMN Cc1ccc2c(ccc(C)c2Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)c1 ZINC001592206001 1094030812 /nfs/dbraw/zinc/03/08/12/1094030812.db2.gz WTCGMMKYCOSBKR-UHFFFAOYSA-N 0 1 349.354 2.790 20 5 EFBDMN Cc1c(C(=O)[O-])cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC001599994236 1094706672 /nfs/dbraw/zinc/70/66/72/1094706672.db2.gz SNLPOSYBHJWIIK-UHFFFAOYSA-N 0 1 337.763 2.883 20 5 EFBDMN Cc1ccc(C[N@@H+]2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001600415152 1095048883 /nfs/dbraw/zinc/04/88/83/1095048883.db2.gz DLDFZKNSPUNKIA-QGZVFWFLSA-N 0 1 342.351 2.620 20 5 EFBDMN Cc1ccc(C[N@H+]2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001600415152 1095048898 /nfs/dbraw/zinc/04/88/98/1095048898.db2.gz DLDFZKNSPUNKIA-QGZVFWFLSA-N 0 1 342.351 2.620 20 5 EFBDMN O=C([O-])[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001601675650 1095808113 /nfs/dbraw/zinc/80/81/13/1095808113.db2.gz RGUDCAPELLZJSF-MRXNPFEDSA-N 0 1 346.314 2.584 20 5 EFBDMN O=C([O-])[C@H](c1ccc(F)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC001601691848 1095825018 /nfs/dbraw/zinc/82/50/18/1095825018.db2.gz QIKRYVVFHDEBAC-INIZCTEOSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC001601691848 1095825035 /nfs/dbraw/zinc/82/50/35/1095825035.db2.gz QIKRYVVFHDEBAC-INIZCTEOSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])[C@@H]1[C@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1(F)F ZINC001601753532 1095889058 /nfs/dbraw/zinc/88/90/58/1095889058.db2.gz WFUFMGPIRQPMSM-UBHSHLNASA-N 0 1 340.326 2.740 20 5 EFBDMN O=C([O-])COc1ccc(C[NH+]2CC(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001602082491 1096051180 /nfs/dbraw/zinc/05/11/80/1096051180.db2.gz DQDFFHAQLZZVMC-UHFFFAOYSA-N 0 1 342.351 2.658 20 5 EFBDMN O=C([O-])COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1[N+](=O)[O-] ZINC001602082570 1096051644 /nfs/dbraw/zinc/05/16/44/1096051644.db2.gz SFZBIEAWVDWCRR-AWEZNQCLSA-N 0 1 345.355 2.723 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1[N+](=O)[O-] ZINC001602082570 1096051651 /nfs/dbraw/zinc/05/16/51/1096051651.db2.gz SFZBIEAWVDWCRR-AWEZNQCLSA-N 0 1 345.355 2.723 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC001602405518 1096224993 /nfs/dbraw/zinc/22/49/93/1096224993.db2.gz VSNMWGAXYIDXQM-CQSZACIVSA-N 0 1 341.367 2.753 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC001602405497 1096225819 /nfs/dbraw/zinc/22/58/19/1096225819.db2.gz VERWODSSWUUYKI-JKSUJKDBSA-N 0 1 346.383 2.827 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC001602405497 1096225828 /nfs/dbraw/zinc/22/58/28/1096225828.db2.gz VERWODSSWUUYKI-JKSUJKDBSA-N 0 1 346.383 2.827 20 5 EFBDMN CC(C)(C)C1=CC[N@@H+](CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001603314026 1096502573 /nfs/dbraw/zinc/50/25/73/1096502573.db2.gz XYKNXJKBYQFIBA-UHFFFAOYSA-N 0 1 348.403 2.778 20 5 EFBDMN CC(C)n1cc([C@H](C)[NH2+]Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1 ZINC001604342864 1096821411 /nfs/dbraw/zinc/82/14/11/1096821411.db2.gz UCZXWYTWYPQWSX-NSHDSACASA-N 0 1 332.360 2.921 20 5 EFBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001604637448 1096919116 /nfs/dbraw/zinc/91/91/16/1096919116.db2.gz SOIZJLMJVHGYON-KCJUWKMLSA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@H]1C[C@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001604677423 1096929763 /nfs/dbraw/zinc/92/97/63/1096929763.db2.gz ROXDQICIXAUIHR-IUCAKERBSA-N 0 1 339.779 2.984 20 5 EFBDMN C[N@H+](CCOc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606138278 1097325475 /nfs/dbraw/zinc/32/54/75/1097325475.db2.gz NMGPTUPGNIUZJY-UHFFFAOYSA-N 0 1 330.340 2.804 20 5 EFBDMN C[N@@H+](CCOc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606138278 1097325477 /nfs/dbraw/zinc/32/54/77/1097325477.db2.gz NMGPTUPGNIUZJY-UHFFFAOYSA-N 0 1 330.340 2.804 20 5 EFBDMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1[N+](=O)[O-])Cc1ccccc1 ZINC001610116769 1098551154 /nfs/dbraw/zinc/55/11/54/1098551154.db2.gz DKQNIKRDMOYHJC-UHFFFAOYSA-N 0 1 330.340 2.804 20 5 EFBDMN Cc1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC001610473507 1098697256 /nfs/dbraw/zinc/69/72/56/1098697256.db2.gz AJHABBICBKBWEV-UHFFFAOYSA-N 0 1 340.295 2.501 20 5 EFBDMN Cc1c[nH+]cn1C1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001610542216 1098742252 /nfs/dbraw/zinc/74/22/52/1098742252.db2.gz WBJYQSLDQYALQD-UHFFFAOYSA-N 0 1 330.344 2.639 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC001610787296 1098886257 /nfs/dbraw/zinc/88/62/57/1098886257.db2.gz ZUWLONPOZZYRTQ-CQSZACIVSA-N 0 1 334.372 2.680 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC001610840049 1098927201 /nfs/dbraw/zinc/92/72/01/1098927201.db2.gz IVVRVESDCGCMMR-DOTOQJQBSA-N 0 1 342.351 2.601 20 5 EFBDMN CN1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001270369556 1099017306 /nfs/dbraw/zinc/01/73/06/1099017306.db2.gz SKLCZWXTQFVSRZ-IRXDYDNUSA-N 0 1 348.402 2.865 20 5 EFBDMN O=[N+]([O-])c1ccc(CNC2(CO)CCCC2)c(Br)c1 ZINC000053069504 1100848012 /nfs/dbraw/zinc/84/80/12/1100848012.db2.gz UGYLVVFYZMFMBV-UHFFFAOYSA-N 0 1 329.194 2.752 20 5 EFBDMN COc1cc(NCc2n[nH]c(C(C)(C)C)n2)c([N+](=O)[O-])cc1OC ZINC000840336630 1101008071 /nfs/dbraw/zinc/00/80/71/1101008071.db2.gz QXVBOVOOYXEVRR-UHFFFAOYSA-N 0 1 335.364 2.640 20 5 EFBDMN Cc1nc([C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)C2)n[nH]1 ZINC000840377564 1101047452 /nfs/dbraw/zinc/04/74/52/1101047452.db2.gz FDOLCOQKORVGFM-SECBINFHSA-N 0 1 330.373 2.625 20 5 EFBDMN Cc1nnc([C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)C2)[nH]1 ZINC000840377564 1101047459 /nfs/dbraw/zinc/04/74/59/1101047459.db2.gz FDOLCOQKORVGFM-SECBINFHSA-N 0 1 330.373 2.625 20 5 EFBDMN CCCN(C(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC000840402098 1101063330 /nfs/dbraw/zinc/06/33/30/1101063330.db2.gz XDYMQGSSNIHXGT-UKRRQHHQSA-N 0 1 333.388 2.551 20 5 EFBDMN CC1(C)C(C(=O)NCCNCc2csc([N+](=O)[O-])c2)C1(C)C ZINC001125314116 1101777197 /nfs/dbraw/zinc/77/71/97/1101777197.db2.gz XOKSJISGYVEVBY-UHFFFAOYSA-N 0 1 325.434 2.544 20 5 EFBDMN Cc1ccc(Nc2nc[nH]c(=O)c2Br)c([N+](=O)[O-])c1 ZINC001214169255 1104749766 /nfs/dbraw/zinc/74/97/66/1104749766.db2.gz DEIYMOXIKKDGII-UHFFFAOYSA-N 0 1 325.122 2.905 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1Cc2ccccc2[C@H]1O ZINC000898393623 1108907775 /nfs/dbraw/zinc/90/77/75/1108907775.db2.gz SIMFGISCLRUSPY-SJLPKXTDSA-N 0 1 328.368 2.741 20 5 EFBDMN CC(C)N1CCC[C@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000899218473 1109251140 /nfs/dbraw/zinc/25/11/40/1109251140.db2.gz GEAOMAQZPOYYDP-HNNXBMFYSA-N 0 1 328.372 2.954 20 5 EFBDMN COc1ccccc1[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000842321722 1109447133 /nfs/dbraw/zinc/44/71/33/1109447133.db2.gz NVSQCDSRMYUWAD-INMHGKMJSA-N 0 1 327.336 2.993 20 5 EFBDMN CCN1CCN(c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1C ZINC000754080089 1111134498 /nfs/dbraw/zinc/13/44/98/1111134498.db2.gz QBKDWUZRPXPAQH-SNVBAGLBSA-N 0 1 328.210 2.888 20 5 EFBDMN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)c1ccsc1 ZINC000914863047 1111448730 /nfs/dbraw/zinc/44/87/30/1111448730.db2.gz DXDDWGKGFGDOIB-GFCCVEGCSA-N 0 1 333.373 2.907 20 5 EFBDMN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)c1ccsc1 ZINC000914863048 1111448751 /nfs/dbraw/zinc/44/87/51/1111448751.db2.gz DXDDWGKGFGDOIB-LBPRGKRZSA-N 0 1 333.373 2.907 20 5 EFBDMN CCc1cc(C(=O)N(CC)CCNc2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC001106684466 1111719156 /nfs/dbraw/zinc/71/91/56/1111719156.db2.gz ZBGXDJTYSDCBBH-UHFFFAOYSA-N 0 1 349.366 2.594 20 5 EFBDMN CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)c1c[nH]cn1 ZINC001106802401 1111857255 /nfs/dbraw/zinc/85/72/55/1111857255.db2.gz FFEGXIGEFKTHDX-UHFFFAOYSA-N 0 1 345.403 2.556 20 5 EFBDMN CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)c1c[nH]cn1 ZINC001106803181 1111857810 /nfs/dbraw/zinc/85/78/10/1111857810.db2.gz UHEKUSGBQJMTHQ-UHFFFAOYSA-N 0 1 345.403 2.556 20 5 EFBDMN CC(C)CN(CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C1CC1 ZINC000154677984 1112108843 /nfs/dbraw/zinc/10/88/43/1112108843.db2.gz LFMSUOSRCWHAEO-UHFFFAOYSA-N 0 1 332.404 2.915 20 5 EFBDMN CC[C@@H]1CCCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000154681643 1112112167 /nfs/dbraw/zinc/11/21/67/1112112167.db2.gz PHCUAPNIWCQLBZ-CQSZACIVSA-N 0 1 332.404 2.916 20 5 EFBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)n2)cc1 ZINC000070724222 1118653523 /nfs/dbraw/zinc/65/35/23/1118653523.db2.gz YHIWANYOVYJVDV-UHFFFAOYSA-N 0 1 338.327 2.523 20 5 EFBDMN CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)CCc1cnc[nH]1 ZINC001106979422 1118976186 /nfs/dbraw/zinc/97/61/86/1118976186.db2.gz NYUIBJZJHDJYLU-UHFFFAOYSA-N 0 1 345.403 2.520 20 5 EFBDMN Cn1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2cc(F)ccc21 ZINC000072536121 1119706688 /nfs/dbraw/zinc/70/66/88/1119706688.db2.gz FMJXBSNDLJERAI-UHFFFAOYSA-N 0 1 348.721 2.948 20 5 EFBDMN Cc1noc(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000053639304 214191506 /nfs/dbraw/zinc/19/15/06/214191506.db2.gz KQMZVGRZIFZTGO-UHFFFAOYSA-N 0 1 332.360 2.545 20 5 EFBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000056197386 214365069 /nfs/dbraw/zinc/36/50/69/214365069.db2.gz GASUEFNHTHIWNY-KBPBESRZSA-N 0 1 327.384 2.950 20 5 EFBDMN CN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000176246936 530068594 /nfs/dbraw/zinc/06/85/94/530068594.db2.gz MVUGOGKQWZMSAE-UHFFFAOYSA-N 0 1 331.416 2.614 20 5 EFBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000178687890 232377551 /nfs/dbraw/zinc/37/75/51/232377551.db2.gz KSFQQWYCVUKXDF-UWVGGRQHSA-N 0 1 333.310 2.621 20 5 EFBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000178687880 232377688 /nfs/dbraw/zinc/37/76/88/232377688.db2.gz KSFQQWYCVUKXDF-ZJUUUORDSA-N 0 1 333.310 2.621 20 5 EFBDMN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000101912662 219173043 /nfs/dbraw/zinc/17/30/43/219173043.db2.gz XPEXSZVCBSATBV-HNNXBMFYSA-N 0 1 349.431 2.732 20 5 EFBDMN CCCCO[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201130 219269145 /nfs/dbraw/zinc/26/91/45/219269145.db2.gz HAPFXUJYSXQWHO-SNVBAGLBSA-N 0 1 333.348 2.524 20 5 EFBDMN CCCCCOCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201475 219269657 /nfs/dbraw/zinc/26/96/57/219269657.db2.gz NPCFJJMBBGCXCW-UHFFFAOYSA-N 0 1 333.348 2.525 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)OC(C)(C)C1 ZINC000068476151 215310458 /nfs/dbraw/zinc/31/04/58/215310458.db2.gz AMNFHTCOFRQUEB-CYBMUJFWSA-N 0 1 335.404 2.731 20 5 EFBDMN Cc1c([C@H](C)NCC(=O)NCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000181401755 234175964 /nfs/dbraw/zinc/17/59/64/234175964.db2.gz JSHWVXDJUQZGIU-HNNXBMFYSA-N 0 1 341.411 2.913 20 5 EFBDMN COC[C@@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000181570611 234235646 /nfs/dbraw/zinc/23/56/46/234235646.db2.gz JWAJMPPZYYPVRQ-QMTHXVAHSA-N 0 1 332.360 2.720 20 5 EFBDMN COC[C@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000181570553 234236549 /nfs/dbraw/zinc/23/65/49/234236549.db2.gz JWAJMPPZYYPVRQ-HZMBPMFUSA-N 0 1 332.360 2.720 20 5 EFBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC[C@H]2C2CCC2)cc1 ZINC000181734926 234303418 /nfs/dbraw/zinc/30/34/18/234303418.db2.gz IEJHZAHBZRSLRY-INIZCTEOSA-N 0 1 338.429 2.633 20 5 EFBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899384 299245246 /nfs/dbraw/zinc/24/52/46/299245246.db2.gz TUPVODPZAYDVDB-QWHCGFSZSA-N 0 1 347.415 2.683 20 5 EFBDMN CSCC[C@@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072665952 216289941 /nfs/dbraw/zinc/28/99/41/216289941.db2.gz UWKZPKRYMLIQTI-GFCCVEGCSA-N 0 1 325.434 2.915 20 5 EFBDMN Cc1c(NC(=O)CCN2CCOC[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000072979068 216335717 /nfs/dbraw/zinc/33/57/17/216335717.db2.gz DLZWWBMBOFQAHU-HNNXBMFYSA-N 0 1 349.431 2.979 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@]1(CO)CC(C)C ZINC000191664755 239241894 /nfs/dbraw/zinc/24/18/94/239241894.db2.gz SOWBSGVLJRQSAM-SFHVURJKSA-N 0 1 349.431 2.715 20 5 EFBDMN CSc1ccc(C(=O)N2CCN(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000193200061 240056071 /nfs/dbraw/zinc/05/60/71/240056071.db2.gz GVKNQJRGZFAYDU-UHFFFAOYSA-N 0 1 337.445 2.731 20 5 EFBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC000194637282 240167677 /nfs/dbraw/zinc/16/76/77/240167677.db2.gz GRYMCYKURDJTNG-UHFFFAOYSA-N 0 1 332.259 2.813 20 5 EFBDMN COc1cc(CNc2ncn(-c3ccccc3)n2)cc([N+](=O)[O-])c1O ZINC000195046281 240200536 /nfs/dbraw/zinc/20/05/36/240200536.db2.gz AELUQPUDEBRWIU-UHFFFAOYSA-N 0 1 341.327 2.502 20 5 EFBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899238 296105799 /nfs/dbraw/zinc/10/57/99/296105799.db2.gz UZQFLTHHKXTZKJ-CHWSQXEVSA-N 0 1 347.415 2.683 20 5 EFBDMN COc1ccc(CN2CCC[C@@H](N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000412059187 243102817 /nfs/dbraw/zinc/10/28/17/243102817.db2.gz WPVNAWMSBMTIKY-OAHLLOKOSA-N 0 1 347.415 2.580 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](N2CCCC2=O)CC1 ZINC000412056432 243105920 /nfs/dbraw/zinc/10/59/20/243105920.db2.gz OJRPDDAYWZVRQK-HNNXBMFYSA-N 0 1 347.415 2.580 20 5 EFBDMN C[C@H]1[C@H](CO)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000412095718 243135086 /nfs/dbraw/zinc/13/50/86/243135086.db2.gz TXZOWVHHHNCBER-JSGCOSHPSA-N 0 1 331.372 2.843 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000412220981 243209283 /nfs/dbraw/zinc/20/92/83/243209283.db2.gz AZDRWVSYYNHCKR-UTJXIGIESA-N 0 1 331.416 2.639 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000412220983 243209758 /nfs/dbraw/zinc/20/97/58/243209758.db2.gz AZDRWVSYYNHCKR-UWWPHRKUSA-N 0 1 331.416 2.639 20 5 EFBDMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412180752 243187070 /nfs/dbraw/zinc/18/70/70/243187070.db2.gz PJDQYEHYTXANSM-LAVFITLUSA-N 0 1 343.427 2.784 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n[nH]1 ZINC000412232738 243219895 /nfs/dbraw/zinc/21/98/95/243219895.db2.gz OBEFEWQWSKFRPK-SNVBAGLBSA-N 0 1 347.375 2.554 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)N2CCN(C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000246881299 243330277 /nfs/dbraw/zinc/33/02/77/243330277.db2.gz DPZHRLLXPOHGQX-YOEHRIQHSA-N 0 1 348.447 2.946 20 5 EFBDMN COC(=O)c1cnc([C@H](C)NCCc2cccc([N+](=O)[O-])c2)s1 ZINC000414101601 244007136 /nfs/dbraw/zinc/00/71/36/244007136.db2.gz MEXOAHWSTZCAMM-JTQLQIEISA-N 0 1 335.385 2.731 20 5 EFBDMN CCOC(=O)c1cc(-c2nc([C@@H](N)CC(C)C)no2)cc([N+](=O)[O-])c1 ZINC000414615546 244253880 /nfs/dbraw/zinc/25/38/80/244253880.db2.gz IQGKMCGECFRDFR-ZDUSSCGKSA-N 0 1 348.359 2.867 20 5 EFBDMN NC1(c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)CCC1 ZINC000414632277 244263300 /nfs/dbraw/zinc/26/33/00/244263300.db2.gz ZWDYOOBLAIKLRI-UHFFFAOYSA-N 0 1 326.259 2.584 20 5 EFBDMN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1n[nH]cc1[N+](=O)[O-] ZINC000123447579 284219864 /nfs/dbraw/zinc/21/98/64/284219864.db2.gz NCRYQLXJUIDUCO-VIFPVBQESA-N 0 1 338.776 2.938 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419371747 245392489 /nfs/dbraw/zinc/39/24/89/245392489.db2.gz LHLPCZZHYYSQFE-CYDGBPFRSA-N 0 1 335.404 2.907 20 5 EFBDMN COc1ccc(NC(=O)[C@H](C)N2C[C@H](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419380485 245393394 /nfs/dbraw/zinc/39/33/94/245393394.db2.gz XRTUWGXCLKVVRY-RNJOBUHISA-N 0 1 335.404 2.907 20 5 EFBDMN CCOc1ccc(NC(=O)CN2C[C@H](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419379040 245395068 /nfs/dbraw/zinc/39/50/68/245395068.db2.gz WCXDAJURLKVHDO-YNEHKIRRSA-N 0 1 335.404 2.908 20 5 EFBDMN C[C@H](CN1CCN(C)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078543375 217071504 /nfs/dbraw/zinc/07/15/04/217071504.db2.gz HJQILGYYBAYNBM-LLVKDONJSA-N 0 1 346.353 2.661 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H](C)O1 ZINC000111273930 220131495 /nfs/dbraw/zinc/13/14/95/220131495.db2.gz DDIDHEWNGBSPHF-ZFWWWQNUSA-N 0 1 335.404 2.731 20 5 EFBDMN C[C@@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000080617580 217319027 /nfs/dbraw/zinc/31/90/27/217319027.db2.gz UEBICDKNBFFKNZ-NSHDSACASA-N 0 1 346.353 2.661 20 5 EFBDMN C[C@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000080617584 217319826 /nfs/dbraw/zinc/31/98/26/217319826.db2.gz UEBICDKNBFFKNZ-LLVKDONJSA-N 0 1 346.353 2.661 20 5 EFBDMN CN(C[C@@H]1CCCN1C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000421707992 246070804 /nfs/dbraw/zinc/07/08/04/246070804.db2.gz YUNUBFHKCPLRIS-ZDUSSCGKSA-N 0 1 333.413 2.976 20 5 EFBDMN O=C([O-])c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000263561669 284450622 /nfs/dbraw/zinc/45/06/22/284450622.db2.gz CGBUTOZRRQTXQK-UHFFFAOYSA-N 0 1 341.367 2.615 20 5 EFBDMN CCN(CC)C(=O)C1([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])CCCCC1 ZINC000339036103 284462848 /nfs/dbraw/zinc/46/28/48/284462848.db2.gz HTECZRWHGQRVPA-UHFFFAOYSA-N 0 1 349.431 2.961 20 5 EFBDMN COc1cc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cc(OC)c1O ZINC000264326091 246354259 /nfs/dbraw/zinc/35/42/59/246354259.db2.gz IMBOZDGQOGMZNM-UHFFFAOYSA-N 0 1 348.355 2.616 20 5 EFBDMN CCCc1[nH]nc(C(=O)Nc2nnc(C(C)(C)C)s2)c1[N+](=O)[O-] ZINC000264689149 246784141 /nfs/dbraw/zinc/78/41/41/246784141.db2.gz SGUZVKYHKUEPDQ-UHFFFAOYSA-N 0 1 338.393 2.672 20 5 EFBDMN Cc1cc(N(C)Cc2n[nH]c(=O)o2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000425278786 247026816 /nfs/dbraw/zinc/02/68/16/247026816.db2.gz HGTYEBZJQLUGDK-UHFFFAOYSA-N 0 1 332.238 2.647 20 5 EFBDMN CCOc1cc(N2CCN(C[C@H](OC)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000425467618 247096789 /nfs/dbraw/zinc/09/67/89/247096789.db2.gz BURALNYKOAVCAG-SFHVURJKSA-N 0 1 349.431 2.541 20 5 EFBDMN O=[N+]([O-])c1cccc(CNCc2ccnc(OC3CCOCC3)c2)c1 ZINC000264978956 247104974 /nfs/dbraw/zinc/10/49/74/247104974.db2.gz TTWFJBGDSXUJOM-UHFFFAOYSA-N 0 1 343.383 2.837 20 5 EFBDMN CCc1csc([C@@H]2CCCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)n1 ZINC000265013352 247134346 /nfs/dbraw/zinc/13/43/46/247134346.db2.gz UVQKWAXBYQLKFE-SNVBAGLBSA-N 0 1 349.416 2.665 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425694690 247170869 /nfs/dbraw/zinc/17/08/69/247170869.db2.gz XJVXOYMOQLKZPX-UKPHBRMFSA-N 0 1 346.431 2.700 20 5 EFBDMN CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[N@@H+]1CCOC(C)(C)C1 ZINC000435051459 248206745 /nfs/dbraw/zinc/20/67/45/248206745.db2.gz ZAEHWFUMOSKYCJ-VURMDHGXSA-N 0 1 333.432 2.651 20 5 EFBDMN O=C(NC1CC1)[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266466912 248314697 /nfs/dbraw/zinc/31/46/97/248314697.db2.gz NJAPTWYDWXRBGO-SFHVURJKSA-N 0 1 339.395 2.747 20 5 EFBDMN CCSCC[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266387280 248276167 /nfs/dbraw/zinc/27/61/67/248276167.db2.gz ZFHRECAOFHIBSN-SECBINFHSA-N 0 1 336.410 2.544 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC4(C3)CCOCC4)n2)c1 ZINC000266532532 248348667 /nfs/dbraw/zinc/34/86/67/248348667.db2.gz GELVAPLAWFWCNK-UHFFFAOYSA-N 0 1 344.371 2.647 20 5 EFBDMN C[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)Cc1ccccc1 ZINC000009984058 211137919 /nfs/dbraw/zinc/13/79/19/211137919.db2.gz CXRKNORCQCZJBA-UHFFFAOYSA-N 0 1 343.383 2.552 20 5 EFBDMN O=C1CCCN1C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093087711 218193484 /nfs/dbraw/zinc/19/34/84/218193484.db2.gz FEULBHQDYWPHGS-ZZXKWVIFSA-N 0 1 329.400 2.695 20 5 EFBDMN CC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000443939096 250237933 /nfs/dbraw/zinc/23/79/33/250237933.db2.gz XZEBZGROJHPOGD-KWQFWETISA-N 0 1 340.323 2.850 20 5 EFBDMN COc1cccc(C(=O)NC[C@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000443953927 250240143 /nfs/dbraw/zinc/24/01/43/250240143.db2.gz YTRHUZOUZDWBMD-CYBMUJFWSA-N 0 1 349.412 2.698 20 5 EFBDMN CC1(C)CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1 ZINC000444108301 250259210 /nfs/dbraw/zinc/25/92/10/250259210.db2.gz YQUITTATDFWKCK-UHFFFAOYSA-N 0 1 335.407 2.505 20 5 EFBDMN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(O)c(Cl)c1 ZINC000444647543 250321927 /nfs/dbraw/zinc/32/19/27/250321927.db2.gz VVLPAQIUAPZWNP-UHFFFAOYSA-N 0 1 346.730 2.760 20 5 EFBDMN CC(C)[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000444750361 250339743 /nfs/dbraw/zinc/33/97/43/250339743.db2.gz BPJDCDCJXDMNRA-HNNXBMFYSA-N 0 1 331.416 2.852 20 5 EFBDMN Cc1ccc(NS(=O)(=O)c2c[nH]c3ncccc32)cc1[N+](=O)[O-] ZINC000095447352 218391031 /nfs/dbraw/zinc/39/10/31/218391031.db2.gz CEEZIDFWZCCBIC-UHFFFAOYSA-N 0 1 332.341 2.580 20 5 EFBDMN COc1nccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449502672 251045797 /nfs/dbraw/zinc/04/57/97/251045797.db2.gz RULDEINWBDMZGS-AWEZNQCLSA-N 0 1 328.372 2.773 20 5 EFBDMN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](CO)CC(C)(C)C ZINC000449581543 251073874 /nfs/dbraw/zinc/07/38/74/251073874.db2.gz ATPIPGYQFRICMV-HNNXBMFYSA-N 0 1 338.404 2.690 20 5 EFBDMN CC(C)OCCOC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000449732461 251135078 /nfs/dbraw/zinc/13/50/78/251135078.db2.gz ZOGJYPJMOQDMBO-UHFFFAOYSA-N 0 1 338.404 2.706 20 5 EFBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cnc(C2CC2)o1 ZINC000449707074 251124417 /nfs/dbraw/zinc/12/44/17/251124417.db2.gz PRSGTGWHPCYYPH-LLVKDONJSA-N 0 1 344.371 2.967 20 5 EFBDMN COc1cccnc1CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449750684 251140810 /nfs/dbraw/zinc/14/08/10/251140810.db2.gz VSGXREQQKYPGPT-LBPRGKRZSA-N 0 1 344.371 2.505 20 5 EFBDMN O=C(CC1CC(F)(F)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000449846156 251175782 /nfs/dbraw/zinc/17/57/82/251175782.db2.gz WCMQIEOZVVTFQO-UHFFFAOYSA-N 0 1 337.286 2.754 20 5 EFBDMN Cc1nc(NC2CCN(Cc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000450265500 251321034 /nfs/dbraw/zinc/32/10/34/251321034.db2.gz KCJGNNYSFBTJKS-UHFFFAOYSA-N 0 1 345.378 2.909 20 5 EFBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC000451104723 251447436 /nfs/dbraw/zinc/44/74/36/251447436.db2.gz LHCDEHTVBGJRHP-LSDHHAIUSA-N 0 1 341.411 2.993 20 5 EFBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cc1 ZINC000130444436 285138736 /nfs/dbraw/zinc/13/87/36/285138736.db2.gz KBVJTFWKMGDYEW-UHFFFAOYSA-N 0 1 332.259 2.813 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000177562171 533137765 /nfs/dbraw/zinc/13/77/65/533137765.db2.gz LHMNPJYCNPSWLR-BETUJISGSA-N 0 1 333.388 2.664 20 5 EFBDMN COC[C@@H]1CCCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342738250 285260898 /nfs/dbraw/zinc/26/08/98/285260898.db2.gz UTLGUXGWPGYJIS-ZIAGYGMSSA-N 0 1 335.404 2.670 20 5 EFBDMN CS[C@@H]1CCC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000117316743 221052528 /nfs/dbraw/zinc/05/25/28/221052528.db2.gz IJEQUXNISQZLIG-GXSJLCMTSA-N 0 1 334.401 2.875 20 5 EFBDMN CS[C@H]1CCC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000117316744 221052726 /nfs/dbraw/zinc/05/27/26/221052726.db2.gz IJEQUXNISQZLIG-ONGXEEELSA-N 0 1 334.401 2.875 20 5 EFBDMN CCC[C@@H]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000466485809 256002788 /nfs/dbraw/zinc/00/27/88/256002788.db2.gz ANRKMKNAFVLWFB-CQSZACIVSA-N 0 1 331.416 2.996 20 5 EFBDMN Cc1cc(C(=O)N2CCN(C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000154782701 224304454 /nfs/dbraw/zinc/30/44/54/224304454.db2.gz YCOMYQSRJWCWGI-UHFFFAOYSA-N 0 1 331.416 2.994 20 5 EFBDMN Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000154902775 224323850 /nfs/dbraw/zinc/32/38/50/224323850.db2.gz XNWWPWDPFQLHLB-UHFFFAOYSA-N 0 1 331.416 2.994 20 5 EFBDMN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000178649286 533533984 /nfs/dbraw/zinc/53/39/84/533533984.db2.gz AMEFNJSPPUEZKS-ZIAGYGMSSA-N 0 1 327.384 2.950 20 5 EFBDMN COC(=O)COc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178656687 533567371 /nfs/dbraw/zinc/56/73/71/533567371.db2.gz BQJORKDMOOIDSN-ZDUSSCGKSA-N 0 1 344.367 2.997 20 5 EFBDMN COc1ccc(CN[C@H](c2cccs2)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000340200822 141761236 /nfs/dbraw/zinc/76/12/36/141761236.db2.gz DTALARNXMQKAFZ-CQSZACIVSA-N 0 1 345.384 2.662 20 5 EFBDMN CN1CCC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000344599331 142046583 /nfs/dbraw/zinc/04/65/83/142046583.db2.gz DUOKQFPUNSJVMZ-OAHLLOKOSA-N 0 1 329.356 2.565 20 5 EFBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000344918651 142097466 /nfs/dbraw/zinc/09/74/66/142097466.db2.gz CWBBMUVHLNGISN-VIFPVBQESA-N 0 1 349.416 2.878 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000345898291 142114076 /nfs/dbraw/zinc/11/40/76/142114076.db2.gz CRIFEHZVKBKLGF-CHWSQXEVSA-N 0 1 344.415 2.560 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000345923050 142118755 /nfs/dbraw/zinc/11/87/55/142118755.db2.gz PZUFMXHICFLMBI-WDEREUQCSA-N 0 1 325.796 2.803 20 5 EFBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000345976974 142127171 /nfs/dbraw/zinc/12/71/71/142127171.db2.gz JBHTZWVDXRTIOY-UHFFFAOYSA-N 0 1 343.730 2.503 20 5 EFBDMN CCc1ccc([C@@H](NCCCC(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346500353 142212600 /nfs/dbraw/zinc/21/26/00/142212600.db2.gz ULPWWBQFUAABFS-SFHVURJKSA-N 0 1 345.399 2.955 20 5 EFBDMN COC1CCC(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000349579210 142338440 /nfs/dbraw/zinc/33/84/40/142338440.db2.gz KNKLSYRBLVYQRO-UHFFFAOYSA-N 0 1 346.387 2.796 20 5 EFBDMN CC[C@H](N[C@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352496578 142498379 /nfs/dbraw/zinc/49/83/79/142498379.db2.gz XFIPVQHKVVVAHY-UONOGXRCSA-N 0 1 325.434 2.503 20 5 EFBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc(F)cn1 ZINC000341284099 145025969 /nfs/dbraw/zinc/02/59/69/145025969.db2.gz QKDMUVUYOUDRCV-NSHDSACASA-N 0 1 332.335 2.636 20 5 EFBDMN Cc1ccsc1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342351399 145106942 /nfs/dbraw/zinc/10/69/42/145106942.db2.gz CAKMVBPBDSWSPK-UHFFFAOYSA-N 0 1 340.426 2.528 20 5 EFBDMN O=C(CSc1nc(-c2cccnc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000342382999 145113252 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EFBDMN CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000343868752 145312877 /nfs/dbraw/zinc/31/28/77/145312877.db2.gz GOXHJXSTOVMFAZ-UHFFFAOYSA-N 0 1 340.382 2.823 20 5 EFBDMN CC[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000343870403 145312976 /nfs/dbraw/zinc/31/29/76/145312976.db2.gz SVXFSIGVCMDLCX-JTQLQIEISA-N 0 1 338.751 2.559 20 5 EFBDMN CN(C)c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2[nH]1 ZINC000344142303 145378277 /nfs/dbraw/zinc/37/82/77/145378277.db2.gz UUICWRDHOGKRGB-UHFFFAOYSA-N 0 1 331.357 2.851 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000344187392 145387513 /nfs/dbraw/zinc/38/75/13/145387513.db2.gz GOHTVMXIWFFQEM-MRXNPFEDSA-N 0 1 349.337 2.906 20 5 EFBDMN Cc1ccc([C@H](C)NC[C@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000346809794 145725571 /nfs/dbraw/zinc/72/55/71/145725571.db2.gz FVWOXJLWPWBVBK-GXTWGEPZSA-N 0 1 326.418 2.521 20 5 EFBDMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000349011523 146037021 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EFBDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000356081804 147141749 /nfs/dbraw/zinc/14/17/49/147141749.db2.gz OWQLEIFWYDALIB-NXEZZACHSA-N 0 1 326.784 2.805 20 5 EFBDMN CCOc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC ZINC000356306085 147207037 /nfs/dbraw/zinc/20/70/37/147207037.db2.gz AJDMIWLLDMAHRX-UHFFFAOYSA-N 0 1 332.312 2.960 20 5 EFBDMN C[N@@H+](CCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000356372196 147226921 /nfs/dbraw/zinc/22/69/21/147226921.db2.gz XZUKLXKRGKMYBL-UHFFFAOYSA-N 0 1 335.404 2.685 20 5 EFBDMN O=C(NCCOc1ccc(Cl)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356454553 147248319 /nfs/dbraw/zinc/24/83/19/147248319.db2.gz DBBPNYPLGOXRKN-UHFFFAOYSA-N 0 1 336.731 2.763 20 5 EFBDMN Cc1cccc(C)c1OCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356457708 147249397 /nfs/dbraw/zinc/24/93/97/147249397.db2.gz IAASIQAVTUBQIF-UHFFFAOYSA-N 0 1 330.340 2.726 20 5 EFBDMN CC(C)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000356593118 147285831 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O=[N+]([O-])c1cnn(CCN2CCC(c3ncccc3Cl)CC2)c1 ZINC000370109265 150522639 /nfs/dbraw/zinc/52/26/39/150522639.db2.gz AWXGRWJLPHRIKV-UHFFFAOYSA-N 0 1 335.795 2.719 20 5 EFBDMN Cc1cc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000378304129 152052746 /nfs/dbraw/zinc/05/27/46/152052746.db2.gz GSLVYIWGUUPWLU-IAGOWNOFSA-N 0 1 339.395 2.731 20 5 EFBDMN CSCC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N(C)C ZINC000352495029 286671210 /nfs/dbraw/zinc/67/12/10/286671210.db2.gz IBXDSOUQBGFCEC-GXTWGEPZSA-N 0 1 339.461 2.764 20 5 EFBDMN C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000358351810 287057826 /nfs/dbraw/zinc/05/78/26/287057826.db2.gz LHTAKXAPKYAPNN-ZYHUDNBSSA-N 0 1 345.321 2.799 20 5 EFBDMN C[C@H](c1ccc(F)c(F)c1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159709002 225265412 /nfs/dbraw/zinc/26/54/12/225265412.db2.gz QBHVYBMJMLOPCN-LLVKDONJSA-N 0 1 337.326 2.728 20 5 EFBDMN C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000160317519 225386924 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Cc1c(NC(=O)[C@@H](C)N2CCSC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000190459461 265224957 /nfs/dbraw/zinc/22/49/57/265224957.db2.gz DYBWNYYXENRSDR-DGCLKSJQSA-N 0 1 337.445 2.915 20 5 EFBDMN CC(C)(C)c1nc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2[nH]1 ZINC000193499826 265334223 /nfs/dbraw/zinc/33/42/23/265334223.db2.gz GFWXTSAYRUQKOB-UHFFFAOYSA-N 0 1 342.359 2.604 20 5 EFBDMN CCCCOCCNC(=O)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271683520 266040910 /nfs/dbraw/zinc/04/09/10/266040910.db2.gz CKBHLUUMTQUGMH-INIZCTEOSA-N 0 1 337.420 2.568 20 5 EFBDMN Cc1cc(C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000272104597 266155122 /nfs/dbraw/zinc/15/51/22/266155122.db2.gz NIIAJYXGNCNYIR-UHFFFAOYSA-N 0 1 328.372 2.575 20 5 EFBDMN Cc1cc(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000272278491 266214441 /nfs/dbraw/zinc/21/44/41/266214441.db2.gz SYQZQEKQCZRELB-UHFFFAOYSA-N 0 1 328.372 2.575 20 5 EFBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCC[C@H]1O ZINC000272508133 266288475 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335.339 2.857 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC000277979604 267313419 /nfs/dbraw/zinc/31/34/19/267313419.db2.gz VOFICFMCHLOCTI-NXEZZACHSA-N 0 1 347.375 2.726 20 5 EFBDMN CCCc1[nH]nc(C(=O)Nc2cc(-c3ccc(C)o3)n[nH]2)c1[N+](=O)[O-] ZINC000278929737 267613114 /nfs/dbraw/zinc/61/31/14/267613114.db2.gz VXELZUSXIORRTE-UHFFFAOYSA-N 0 1 344.331 2.814 20 5 EFBDMN O=[N+]([O-])c1ccc(NCCN2CCCOCC2)nc1-c1ccccc1 ZINC000188489825 273057043 /nfs/dbraw/zinc/05/70/43/273057043.db2.gz QXJUAMFGEUWDKV-UHFFFAOYSA-N 0 1 342.399 2.791 20 5 EFBDMN CCO[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1(C)C ZINC000269481723 273081208 /nfs/dbraw/zinc/08/12/08/273081208.db2.gz KMTGXNFMWYSCNJ-GHMZBOCLSA-N 0 1 338.408 2.717 20 5 EFBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1nnc2n1CCC2 ZINC000271118639 273099266 /nfs/dbraw/zinc/09/92/66/273099266.db2.gz IVIZKAYWDVXBPN-LBPRGKRZSA-N 0 1 347.444 2.793 20 5 EFBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1nncn1C ZINC000271138521 273101089 /nfs/dbraw/zinc/10/10/89/273101089.db2.gz NSXITHLDUUBOQU-RYUDHWBXSA-N 0 1 335.433 2.945 20 5 EFBDMN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272680214 273113903 /nfs/dbraw/zinc/11/39/03/273113903.db2.gz NIVVOFDPLVGDKD-ZDUSSCGKSA-N 0 1 334.372 2.912 20 5 EFBDMN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274321418 273132226 /nfs/dbraw/zinc/13/22/26/273132226.db2.gz XKIPQQJNZDFOGP-PBHICJAKSA-N 0 1 342.351 2.951 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000279095027 273176104 /nfs/dbraw/zinc/17/61/04/273176104.db2.gz UQWSFQJKJVMABZ-RISCZKNCSA-N 0 1 328.372 2.953 20 5 EFBDMN Cc1c(NC(=O)CCN2C[C@@H](C)O[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279228902 273190739 /nfs/dbraw/zinc/19/07/39/273190739.db2.gz DODGXWITBBSXKX-PXAZEXFGSA-N 0 1 347.415 2.731 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279262326 273194715 /nfs/dbraw/zinc/19/47/15/273194715.db2.gz IIDVTHWQNMBNMP-DYVFJYSZSA-N 0 1 347.415 2.731 20 5 EFBDMN Cn1ccnc1[C@@H](NC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000279837918 273259151 /nfs/dbraw/zinc/25/91/51/273259151.db2.gz NUMSWRIBOBIQRA-WFASDCNBSA-N 0 1 332.429 2.760 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccccc2SC)c1[N+](=O)[O-] ZINC000280182473 273299691 /nfs/dbraw/zinc/29/96/91/273299691.db2.gz VPKYAWCJWSEZDE-UHFFFAOYSA-N 0 1 334.401 2.874 20 5 EFBDMN CO[C@]1(C)CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000280270364 273309718 /nfs/dbraw/zinc/30/97/18/273309718.db2.gz CSZLTLJZWWSBGC-QGZVFWFLSA-N 0 1 335.404 2.733 20 5 EFBDMN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(CCc2cccs2)CC1 ZINC000280738675 273361437 /nfs/dbraw/zinc/36/14/37/273361437.db2.gz OBQDHMVGCRYUGP-UHFFFAOYSA-N 0 1 349.460 2.546 20 5 EFBDMN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCCC1 ZINC000281359928 273427289 /nfs/dbraw/zinc/42/72/89/273427289.db2.gz NDZSXOWAPUYCGD-ZDUSSCGKSA-N 0 1 343.383 2.955 20 5 EFBDMN CC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000106385661 273754907 /nfs/dbraw/zinc/75/49/07/273754907.db2.gz XTGHFEDYNZJSQK-LBPRGKRZSA-N 0 1 347.337 2.507 20 5 EFBDMN NC(=O)C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000285649866 274045322 /nfs/dbraw/zinc/04/53/22/274045322.db2.gz OOAASYORPMURNU-HNNXBMFYSA-N 0 1 341.358 2.787 20 5 EFBDMN COC[C@H]1CCCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342738246 274052157 /nfs/dbraw/zinc/05/21/57/274052157.db2.gz UTLGUXGWPGYJIS-KBPBESRZSA-N 0 1 335.404 2.670 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC=C(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000285695829 274055102 /nfs/dbraw/zinc/05/51/02/274055102.db2.gz KYJFQIAPVKKWAP-UHFFFAOYSA-N 0 1 326.356 2.810 20 5 EFBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285962568 274107745 /nfs/dbraw/zinc/10/77/45/274107745.db2.gz KUFWUBUIEXUANX-UHFFFAOYSA-N 0 1 326.316 2.714 20 5 EFBDMN COc1ccc2c(c1)C[C@H](C)N(CCn1ccc([N+](=O)[O-])n1)[C@@H]2C ZINC000359538377 274127049 /nfs/dbraw/zinc/12/70/49/274127049.db2.gz AWUJSQQHLHEGAQ-QWHCGFSZSA-N 0 1 330.388 2.808 20 5 EFBDMN C[C@@H](O)C[C@@H]1CCCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286091560 274131710 /nfs/dbraw/zinc/13/17/10/274131710.db2.gz SVRTUASDAQWTOF-KGLIPLIRSA-N 0 1 335.404 2.549 20 5 EFBDMN Cc1nc([C@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000286697251 274253797 /nfs/dbraw/zinc/25/37/97/274253797.db2.gz ZJTFGTKYHOAFPN-LURJTMIESA-N 0 1 326.154 2.957 20 5 EFBDMN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000268184916 274343954 /nfs/dbraw/zinc/34/39/54/274343954.db2.gz MBESBCVKBJIPNQ-QMTHXVAHSA-N 0 1 329.356 2.554 20 5 EFBDMN CCN(C)C(=O)[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000451315590 276067915 /nfs/dbraw/zinc/06/79/15/276067915.db2.gz RKLQBRCESTTYKC-AWEZNQCLSA-N 0 1 327.812 2.841 20 5 EFBDMN CCN(C)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000264037759 276308886 /nfs/dbraw/zinc/30/88/86/276308886.db2.gz OWTCUPZXZPMCNC-GOSISDBHSA-N 0 1 341.411 2.947 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000456523711 276417148 /nfs/dbraw/zinc/41/71/48/276417148.db2.gz FQGZXLDQTNCTQF-CHWSQXEVSA-N 0 1 337.395 2.780 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000269342788 278000033 /nfs/dbraw/zinc/00/00/33/278000033.db2.gz DKUPVJDBVXGTKN-GFCCVEGCSA-N 0 1 331.376 2.757 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)Nc2nnc(-c3ccco3)s2)c1[N+](=O)[O-] ZINC000433840665 278069241 /nfs/dbraw/zinc/06/92/41/278069241.db2.gz ZDYHJFQNCXDLQQ-UHFFFAOYSA-N 0 1 348.344 2.805 20 5 EFBDMN C[C@H]1CCN(C)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448981586 278366230 /nfs/dbraw/zinc/36/62/30/278366230.db2.gz UIHWKVBZTFNGSQ-JTQLQIEISA-N 0 1 345.321 2.780 20 5 EFBDMN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCCC1 ZINC000192715548 278383538 /nfs/dbraw/zinc/38/35/38/278383538.db2.gz KBSCSHRSGCMKRO-DYVFJYSZSA-N 0 1 331.416 2.963 20 5 EFBDMN C[C@@H]1[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCCN1C ZINC000444302940 279124694 /nfs/dbraw/zinc/12/46/94/279124694.db2.gz SKYSELMNQHYDNC-CXAGYDPISA-N 0 1 349.434 2.894 20 5 EFBDMN C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000158529613 279534950 /nfs/dbraw/zinc/53/49/50/279534950.db2.gz QMZUMDMIPLJPPB-GWCFXTLKSA-N 0 1 345.321 2.799 20 5 EFBDMN CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CCN1C ZINC000413259077 280016547 /nfs/dbraw/zinc/01/65/47/280016547.db2.gz HMGUUACSOGQMSK-LBPRGKRZSA-N 0 1 332.326 2.785 20 5 EFBDMN C[C@H]1[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCCN1C ZINC000444302942 280106102 /nfs/dbraw/zinc/10/61/02/280106102.db2.gz SKYSELMNQHYDNC-GUYCJALGSA-N 0 1 349.434 2.894 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000076041837 280189393 /nfs/dbraw/zinc/18/93/93/280189393.db2.gz PBHSRUCARYDYAC-BXUZGUMPSA-N 0 1 344.371 2.537 20 5 EFBDMN Cc1cc(N[C@H]2CCO[C@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000363664957 280300533 /nfs/dbraw/zinc/30/05/33/280300533.db2.gz LKZVXRWNEPYCLK-SCLBCKFNSA-N 0 1 343.383 2.623 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C)[C@H](Cc3ccccc3)C2)n1 ZINC000343693096 281012341 /nfs/dbraw/zinc/01/23/41/281012341.db2.gz ABDFOFBGBBOHSJ-MRXNPFEDSA-N 0 1 326.400 2.661 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000424268239 281017412 /nfs/dbraw/zinc/01/74/12/281017412.db2.gz ZRFXBPBPOGXCSY-CYBMUJFWSA-N 0 1 349.387 2.561 20 5 EFBDMN CC[C@H]1CN(CC)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000456373443 281163346 /nfs/dbraw/zinc/16/33/46/281163346.db2.gz IOTSGTGPJIHRTH-LBPRGKRZSA-N 0 1 330.388 2.632 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000342753718 281256843 /nfs/dbraw/zinc/25/68/43/281256843.db2.gz HLFJJLILPWBCNR-UHFFFAOYSA-N 0 1 339.395 2.860 20 5 EFBDMN CCc1ccc([C@H]2CNCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000262167694 281430129 /nfs/dbraw/zinc/43/01/29/281430129.db2.gz HMSLUVNJVKMLRG-CQSZACIVSA-N 0 1 329.356 2.537 20 5 EFBDMN Cc1nc([C@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)n[nH]1 ZINC000268386173 282000399 /nfs/dbraw/zinc/00/03/99/282000399.db2.gz KUYKFBWXNBYWLK-LBPRGKRZSA-N 0 1 338.371 2.954 20 5 EFBDMN Cc1nnc([C@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)[nH]1 ZINC000268386173 282000402 /nfs/dbraw/zinc/00/04/02/282000402.db2.gz KUYKFBWXNBYWLK-LBPRGKRZSA-N 0 1 338.371 2.954 20 5 EFBDMN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(O)c(Cl)c1 ZINC000073067704 292722433 /nfs/dbraw/zinc/72/24/33/292722433.db2.gz MZSOROHBEMOEGO-UHFFFAOYSA-N 0 1 335.747 2.796 20 5 EFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262515241 290267220 /nfs/dbraw/zinc/26/72/20/290267220.db2.gz LATTURYQTXOHBU-KGLIPLIRSA-N 0 1 335.404 2.527 20 5 EFBDMN CSCC[C@H](C)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000126288344 293034612 /nfs/dbraw/zinc/03/46/12/293034612.db2.gz ULCSFVPGUSOTHS-LBPRGKRZSA-N 0 1 325.434 2.631 20 5 EFBDMN CC(C)N1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000127040632 293057156 /nfs/dbraw/zinc/05/71/56/293057156.db2.gz CALBGYHGUHDMBZ-UHFFFAOYSA-N 0 1 329.347 2.722 20 5 EFBDMN O=C(c1cc(F)cc2[nH]cnc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000127568694 293073803 /nfs/dbraw/zinc/07/38/03/293073803.db2.gz QYZNARCWHNYCTD-UHFFFAOYSA-N 0 1 326.287 2.813 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(O)c2F)cc1C ZINC000131548680 293200313 /nfs/dbraw/zinc/20/03/13/293200313.db2.gz FQKVUUUGSGFBSG-UHFFFAOYSA-N 0 1 340.332 2.857 20 5 EFBDMN CCOC1CC([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000290548863 294117076 /nfs/dbraw/zinc/11/70/76/294117076.db2.gz RRNNPLMAKTYMNO-UHFFFAOYSA-N 0 1 344.415 2.995 20 5 EFBDMN O=C(NC[C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000290674303 294153728 /nfs/dbraw/zinc/15/37/28/294153728.db2.gz KTLKAPDMVRLKHJ-SECBINFHSA-N 0 1 349.284 2.629 20 5 EFBDMN CN1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291505975 294399577 /nfs/dbraw/zinc/39/95/77/294399577.db2.gz WHIVXBBFFBVWLB-UHFFFAOYSA-N 0 1 332.187 2.679 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000377658939 294458725 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/nfs/dbraw/zinc/08/10/61/474081061.db2.gz OQYJMPDWRDCYBF-ZDUSSCGKSA-N 0 1 346.387 2.650 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000264690739 474091189 /nfs/dbraw/zinc/09/11/89/474091189.db2.gz SOTLVVLPDKSFJB-GFCCVEGCSA-N 0 1 328.372 2.818 20 5 EFBDMN COCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000282539537 474104224 /nfs/dbraw/zinc/10/42/24/474104224.db2.gz CAJCWFVBQYQJHF-UHFFFAOYSA-N 0 1 347.371 2.665 20 5 EFBDMN COC(=O)c1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)oc1C ZINC000282567729 474113550 /nfs/dbraw/zinc/11/35/50/474113550.db2.gz ZGIPRYDXAWZYBD-UHFFFAOYSA-N 0 1 332.356 2.957 20 5 EFBDMN CO[C@H]1CCCC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275256853 474121090 /nfs/dbraw/zinc/12/10/90/474121090.db2.gz RITNNAMHBWXDCF-KGLIPLIRSA-N 0 1 332.360 2.692 20 5 EFBDMN CO[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275256858 474121415 /nfs/dbraw/zinc/12/14/15/474121415.db2.gz RITNNAMHBWXDCF-ZIAGYGMSSA-N 0 1 332.360 2.692 20 5 EFBDMN CC(C)CN1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000175082010 474140432 /nfs/dbraw/zinc/14/04/32/474140432.db2.gz FPMGTAPVUMGRRT-UHFFFAOYSA-N 0 1 325.796 2.662 20 5 EFBDMN O=[N+]([O-])c1ccsc1NCc1n[nH]c(COc2ccccc2)n1 ZINC000613701160 480082871 /nfs/dbraw/zinc/08/28/71/480082871.db2.gz VKPWMIWXIKWSER-UHFFFAOYSA-N 0 1 331.357 2.966 20 5 EFBDMN CCc1n[nH]c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000182295733 474142824 /nfs/dbraw/zinc/14/28/24/474142824.db2.gz PTPFPELCPRVTLQ-UHFFFAOYSA-N 0 1 344.356 2.651 20 5 EFBDMN CCc1nc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000182295733 474142831 /nfs/dbraw/zinc/14/28/31/474142831.db2.gz PTPFPELCPRVTLQ-UHFFFAOYSA-N 0 1 344.356 2.651 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000270596376 474183830 /nfs/dbraw/zinc/18/38/30/474183830.db2.gz CFPDCVFFTVMARO-SNVBAGLBSA-N 0 1 349.416 2.806 20 5 EFBDMN Cc1[nH]c2c(cc(C)cc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1C ZINC000270624670 474195746 /nfs/dbraw/zinc/19/57/46/474195746.db2.gz BCNISFNCFKXDKH-UHFFFAOYSA-N 0 1 327.344 2.654 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000270658686 474208959 /nfs/dbraw/zinc/20/89/59/474208959.db2.gz JWDCXJPLUCHDRA-GHMZBOCLSA-N 0 1 346.391 2.958 20 5 EFBDMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000182642754 474224035 /nfs/dbraw/zinc/22/40/35/474224035.db2.gz SYRRLKPXHWSREA-CYBMUJFWSA-N 0 1 343.383 2.551 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCS[C@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000265473241 474228377 /nfs/dbraw/zinc/22/83/77/474228377.db2.gz JKLIRFJYDVEKCO-ABAIWWIYSA-N 0 1 346.412 2.945 20 5 EFBDMN CC(C)c1nc([C@@H](C)Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)n[nH]1 ZINC000270712694 474231904 /nfs/dbraw/zinc/23/19/04/474231904.db2.gz LUBSCBNYKGHMLY-SECBINFHSA-N 0 1 344.375 2.894 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000270734111 474242362 /nfs/dbraw/zinc/24/23/62/474242362.db2.gz KATNKKSSLLBSRN-LLVKDONJSA-N 0 1 331.376 2.646 20 5 EFBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182830960 474266757 /nfs/dbraw/zinc/26/67/57/474266757.db2.gz UYNDXQBLLGBHNJ-OCCSQVGLSA-N 0 1 347.415 2.683 20 5 EFBDMN COc1cc(CN(CCO)C2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000275784670 474317672 /nfs/dbraw/zinc/31/76/72/474317672.db2.gz CXHZFPRJBVBBAU-UHFFFAOYSA-N 0 1 346.330 2.552 20 5 EFBDMN COC(=O)COc1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000183062171 474318432 /nfs/dbraw/zinc/31/84/32/474318432.db2.gz RKQCHOVLTSZZOB-UHFFFAOYSA-N 0 1 344.367 2.779 20 5 EFBDMN CC(C)C[C@H]1COCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283186880 474332353 /nfs/dbraw/zinc/33/23/53/474332353.db2.gz FKLVVJPRPZGWOI-AWEZNQCLSA-N 0 1 335.404 2.670 20 5 EFBDMN CN(CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000175939489 474344642 /nfs/dbraw/zinc/34/46/42/474344642.db2.gz NIHOXXGEWFBAPL-UHFFFAOYSA-N 0 1 346.362 2.987 20 5 EFBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000248515450 474345635 /nfs/dbraw/zinc/34/56/35/474345635.db2.gz GAXJVPOPKRSRRS-YDHLFZDLSA-N 0 1 334.372 2.691 20 5 EFBDMN COc1cc(CNC[C@@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000237231425 474362787 /nfs/dbraw/zinc/36/27/87/474362787.db2.gz GQFQRGMGAAMXJZ-MRXNPFEDSA-N 0 1 346.383 2.744 20 5 EFBDMN Cc1c(NC(=O)[C@@H](C)N(C)CCCOC(C)C)cccc1[N+](=O)[O-] ZINC000265898622 474376942 /nfs/dbraw/zinc/37/69/42/474376942.db2.gz UDDSWUUIHMFWJH-CQSZACIVSA-N 0 1 337.420 2.977 20 5 EFBDMN COc1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000237304934 474379058 /nfs/dbraw/zinc/37/90/58/474379058.db2.gz OBOVWGQVUFETGO-YDHLFZDLSA-N 0 1 334.372 2.821 20 5 EFBDMN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265916622 474384661 /nfs/dbraw/zinc/38/46/61/474384661.db2.gz ZDVNCUVGLHDLIU-WCQYABFASA-N 0 1 346.836 2.694 20 5 EFBDMN Cc1[nH]ncc1CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265919655 474386080 /nfs/dbraw/zinc/38/60/80/474386080.db2.gz YBFPSOPUDYKNGS-UHFFFAOYSA-N 0 1 330.388 2.653 20 5 EFBDMN CN(C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000183630165 474403344 /nfs/dbraw/zinc/40/33/44/474403344.db2.gz GFAMAYVUZILXFA-AWEZNQCLSA-N 0 1 347.350 2.553 20 5 EFBDMN CC(C)(C)[C@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000271177222 474424271 /nfs/dbraw/zinc/42/42/71/474424271.db2.gz UEPZMCNNUCMGCQ-IINYFYTJSA-N 0 1 346.387 2.795 20 5 EFBDMN C[C@@]1(CCCO)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000271196840 474436202 /nfs/dbraw/zinc/43/62/02/474436202.db2.gz OQWSUGCTDMGNEG-KRWDZBQOSA-N 0 1 346.387 2.772 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@@H]2c2ncon2)c1[N+](=O)[O-] ZINC000276183741 474443899 /nfs/dbraw/zinc/44/38/99/474443899.db2.gz HDZFOJKNBXDUOQ-SNVBAGLBSA-N 0 1 348.363 2.582 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2CC)n[nH]1 ZINC000289845216 474452045 /nfs/dbraw/zinc/45/20/45/474452045.db2.gz PYLCZUQSAUSTJX-VIFPVBQESA-N 0 1 332.364 2.720 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)n[nH]1 ZINC000289856848 474456812 /nfs/dbraw/zinc/45/68/12/474456812.db2.gz YFTQGRCEPDGHGU-ZETCQYMHSA-N 0 1 338.755 2.811 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)n[nH]1 ZINC000289856846 474457112 /nfs/dbraw/zinc/45/71/12/474457112.db2.gz YFTQGRCEPDGHGU-SSDOTTSWSA-N 0 1 338.755 2.811 20 5 EFBDMN COC[C@]1(CNCc2csc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000289870992 474463455 /nfs/dbraw/zinc/46/34/55/474463455.db2.gz PAXOMEVFOUZOOX-KRWDZBQOSA-N 0 1 348.424 2.861 20 5 EFBDMN Cc1c(NC(=O)[C@@H](C)N2CCSC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000248976854 474496379 /nfs/dbraw/zinc/49/63/79/474496379.db2.gz DYBWNYYXENRSDR-WCQYABFASA-N 0 1 337.445 2.915 20 5 EFBDMN C[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266851013 474503238 /nfs/dbraw/zinc/50/32/38/474503238.db2.gz IUXQUSQEBMZHGK-AWEZNQCLSA-N 0 1 348.424 2.860 20 5 EFBDMN COc1ccc([C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000266916635 474528873 /nfs/dbraw/zinc/52/88/73/474528873.db2.gz GLQUZPQOTYSWRY-HNNXBMFYSA-N 0 1 346.387 2.646 20 5 EFBDMN Cc1ccc(NCc2cccnc2N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000266943310 474541685 /nfs/dbraw/zinc/54/16/85/474541685.db2.gz BZSVRQKPAKCUIZ-UHFFFAOYSA-N 0 1 341.415 2.662 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000266976544 474553516 /nfs/dbraw/zinc/55/35/16/474553516.db2.gz YCZCBQMBQRMUAU-XPTSAGLGSA-N 0 1 332.335 2.989 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC2CC2)CC1 ZINC000184700421 474588320 /nfs/dbraw/zinc/58/83/20/474588320.db2.gz LFXCHGSYLBQWDA-KRWDZBQOSA-N 0 1 345.443 2.718 20 5 EFBDMN COc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000272891277 474635353 /nfs/dbraw/zinc/63/53/53/474635353.db2.gz YORSXNQLPDENKY-LLVKDONJSA-N 0 1 331.332 2.526 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000291700017 474652688 /nfs/dbraw/zinc/65/26/88/474652688.db2.gz KARQJIGQQWAALM-UHFFFAOYSA-N 0 1 330.335 2.920 20 5 EFBDMN CC[C@@]1(C)COCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000340870665 474736431 /nfs/dbraw/zinc/73/64/31/474736431.db2.gz BZNDNGJWTBDXCF-KRWDZBQOSA-N 0 1 335.404 2.733 20 5 EFBDMN CC[C@@]1(C)COCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000340870750 474736569 /nfs/dbraw/zinc/73/65/69/474736569.db2.gz CFSFTZVMENRRKS-KRWDZBQOSA-N 0 1 335.404 2.733 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000344421111 474741002 /nfs/dbraw/zinc/74/10/02/474741002.db2.gz GXXKOVPFRYGCNC-FRRDWIJNSA-N 0 1 337.395 2.779 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344479045 474752556 /nfs/dbraw/zinc/75/25/56/474752556.db2.gz YXBODNRKNJLFKC-PHIMTYICSA-N 0 1 325.796 2.803 20 5 EFBDMN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCC[C@H]1O ZINC000305745324 474762736 /nfs/dbraw/zinc/76/27/36/474762736.db2.gz NUBOFCDJYCQMRU-ZWNOBZJWSA-N 0 1 330.331 2.789 20 5 EFBDMN COC[C@@H](Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278692176 474778921 /nfs/dbraw/zinc/77/89/21/474778921.db2.gz MXGPWPWTXPNOII-CQSZACIVSA-N 0 1 340.383 2.818 20 5 EFBDMN CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000293100342 474812643 /nfs/dbraw/zinc/81/26/43/474812643.db2.gz RWFJLJAZYATFAU-UHFFFAOYSA-N 0 1 345.321 2.828 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000268156507 474832572 /nfs/dbraw/zinc/83/25/72/474832572.db2.gz NYLXWXZJGRHXRO-CQSZACIVSA-N 0 1 337.376 2.828 20 5 EFBDMN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000268184909 474850549 /nfs/dbraw/zinc/85/05/49/474850549.db2.gz MBESBCVKBJIPNQ-HZMBPMFUSA-N 0 1 329.356 2.554 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H](CO)CC3)co2)cc1 ZINC000293209419 474868949 /nfs/dbraw/zinc/86/89/49/474868949.db2.gz RDKGSDGVVBDVCN-CYBMUJFWSA-N 0 1 331.372 2.844 20 5 EFBDMN CCC1CCC(NCc2cc(O)ccc2[N+](=O)[O-])(C(=O)OC)CC1 ZINC000339048187 474877078 /nfs/dbraw/zinc/87/70/78/474877078.db2.gz POBKFJCJSYUCPT-UHFFFAOYSA-N 0 1 336.388 2.902 20 5 EFBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000278862059 474878097 /nfs/dbraw/zinc/87/80/97/474878097.db2.gz SCFFFBKARBWOAL-IUODEOHRSA-N 0 1 335.404 2.940 20 5 EFBDMN C[C@@H]1C[C@@H](C)CN(CCn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000318448314 474890827 /nfs/dbraw/zinc/89/08/27/474890827.db2.gz AKDMAEJJRYMEJT-NXEZZACHSA-N 0 1 331.214 2.532 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)Cc2cc(Cl)cn2C)c1[N+](=O)[O-] ZINC000268254362 474891034 /nfs/dbraw/zinc/89/10/34/474891034.db2.gz XRGFDULLMCPXLY-UHFFFAOYSA-N 0 1 339.783 2.535 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN2CCOc3cccc1c32 ZINC000339061802 474892400 /nfs/dbraw/zinc/89/24/00/474892400.db2.gz OQEYCMIIEPEOCB-UHFFFAOYSA-N 0 1 327.340 2.519 20 5 EFBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000339117137 474942989 /nfs/dbraw/zinc/94/29/89/474942989.db2.gz BZQNRFRQKXJXLG-IBGZPJMESA-N 0 1 342.395 2.870 20 5 EFBDMN Cc1nc([C@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)n[nH]1 ZINC000268365724 474943453 /nfs/dbraw/zinc/94/34/53/474943453.db2.gz DUZVNIVQYXXQEO-LBPRGKRZSA-N 0 1 338.371 2.954 20 5 EFBDMN Cc1nnc([C@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)[nH]1 ZINC000268365724 474943456 /nfs/dbraw/zinc/94/34/56/474943456.db2.gz DUZVNIVQYXXQEO-LBPRGKRZSA-N 0 1 338.371 2.954 20 5 EFBDMN Cc1c(CNCc2cnn(CC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000323517115 474949379 /nfs/dbraw/zinc/94/93/79/474949379.db2.gz BIZSISXWMOSVGN-UHFFFAOYSA-N 0 1 328.294 2.952 20 5 EFBDMN C[C@H](NCC(=O)N(C)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285327943 474974506 /nfs/dbraw/zinc/97/45/06/474974506.db2.gz UEAOVMBMQMVKGH-LBPRGKRZSA-N 0 1 334.420 2.619 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC(C1CCC1)C1CCC1 ZINC000324894996 474980087 /nfs/dbraw/zinc/98/00/87/474980087.db2.gz MRPWAPLTTISZKY-UHFFFAOYSA-N 0 1 342.392 2.981 20 5 EFBDMN Cc1cc(C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000273609012 474989963 /nfs/dbraw/zinc/98/99/63/474989963.db2.gz LJXQHWKNJYEVIS-UHFFFAOYSA-N 0 1 342.399 2.883 20 5 EFBDMN CCc1nocc1CN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000293464335 474992628 /nfs/dbraw/zinc/99/26/28/474992628.db2.gz QMRRRZDGWPPRAT-UHFFFAOYSA-N 0 1 346.387 2.914 20 5 EFBDMN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCCc4cn[nH]c43)cc2N1 ZINC000268805073 475043225 /nfs/dbraw/zinc/04/32/25/475043225.db2.gz FNGAVIPTQAEIKP-LLVKDONJSA-N 0 1 327.344 2.692 20 5 EFBDMN CN1CCN(CCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000341469970 475069309 /nfs/dbraw/zinc/06/93/09/475069309.db2.gz NBMUYSJXBJKGQG-UHFFFAOYSA-N 0 1 333.219 2.561 20 5 EFBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000292538968 475077519 /nfs/dbraw/zinc/07/75/19/475077519.db2.gz CVOAVDJRUREKFD-NSHDSACASA-N 0 1 338.408 2.861 20 5 EFBDMN Cc1cc(F)cc2c1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC000337511419 475084394 /nfs/dbraw/zinc/08/43/94/475084394.db2.gz MCZQZFXQQKLDAA-UHFFFAOYSA-N 0 1 330.315 2.946 20 5 EFBDMN CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC(C)(C)C1 ZINC000292609514 475113332 /nfs/dbraw/zinc/11/33/32/475113332.db2.gz IKTXOAFTXPVVFD-LBPRGKRZSA-N 0 1 346.387 2.891 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H](O)C34CCCC4)n2)c1 ZINC000292642294 475130759 /nfs/dbraw/zinc/13/07/59/475130759.db2.gz HLKPDVUQAPGZQZ-CQSZACIVSA-N 0 1 344.371 2.524 20 5 EFBDMN C[C@H]1SCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H]1C ZINC000295945310 475139171 /nfs/dbraw/zinc/13/91/71/475139171.db2.gz TZYKNUKGDPOVCH-GHMZBOCLSA-N 0 1 346.412 2.951 20 5 EFBDMN CO[C@@]1(C)CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000295952817 475140915 /nfs/dbraw/zinc/14/09/15/475140915.db2.gz JKCRXFVYXXVTOW-KRWDZBQOSA-N 0 1 344.371 2.626 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269043198 475141827 /nfs/dbraw/zinc/14/18/27/475141827.db2.gz YRJIVGHJZYTKDR-IINYFYTJSA-N 0 1 346.412 2.992 20 5 EFBDMN CC(C)(C(=O)N[C@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000269044421 475144455 /nfs/dbraw/zinc/14/44/55/475144455.db2.gz YYCQMKQAELOXQW-AWEZNQCLSA-N 0 1 328.372 2.789 20 5 EFBDMN C[NH+](C)CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000273989831 475151494 /nfs/dbraw/zinc/15/14/94/475151494.db2.gz XBHXXVZSBRZGKR-UHFFFAOYSA-N 0 1 343.343 2.580 20 5 EFBDMN NC(=O)c1ccc(CN2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000339375907 475172813 /nfs/dbraw/zinc/17/28/13/475172813.db2.gz HULMYGXMCGSNRG-ZDUSSCGKSA-N 0 1 343.358 2.822 20 5 EFBDMN CC(C)C[C@@H](N)c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000339385342 475181877 /nfs/dbraw/zinc/18/18/77/475181877.db2.gz NVDDPTYDVJLPFJ-CYBMUJFWSA-N 0 1 342.359 2.876 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000287554090 475193075 /nfs/dbraw/zinc/19/30/75/475193075.db2.gz WKQZFSPDGSLRNP-RYUDHWBXSA-N 0 1 338.408 2.597 20 5 EFBDMN Cc1ccc(S(=O)(=O)N[C@@H](C2CC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000341667491 475213321 /nfs/dbraw/zinc/21/33/21/475213321.db2.gz SRMOGTLQXPBCGY-NSHDSACASA-N 0 1 338.307 2.522 20 5 EFBDMN C[C@]12CCCN1C[C@H](c1noc(-c3ccc(F)cc3[N+](=O)[O-])n1)OC2 ZINC000347323428 475230449 /nfs/dbraw/zinc/23/04/49/475230449.db2.gz PTANVXRVMMQSOZ-CZUORRHYSA-N 0 1 348.334 2.710 20 5 EFBDMN Cc1ccc(-c2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000347347792 475253920 /nfs/dbraw/zinc/25/39/20/475253920.db2.gz YNYDMBNISSCADZ-WMLDXEAASA-N 0 1 344.371 2.879 20 5 EFBDMN CCOc1cc(N2CCN(CC[C@@H](C)F)CC2)ccc1[N+](=O)[O-] ZINC000352404648 475261719 /nfs/dbraw/zinc/26/17/19/475261719.db2.gz CWOPSHKILNLKOP-CYBMUJFWSA-N 0 1 325.384 2.864 20 5 EFBDMN O=C(Nc1cccc(Cl)c1O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352407565 475263870 /nfs/dbraw/zinc/26/38/70/475263870.db2.gz VKXJUTMDXFQSFS-UHFFFAOYSA-N 0 1 336.687 2.935 20 5 EFBDMN C[C@H](NCc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000337719077 475268738 /nfs/dbraw/zinc/26/87/38/475268738.db2.gz HZUKRBDFLLXWSF-LBPRGKRZSA-N 0 1 334.397 2.849 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1cccc(O)c1 ZINC000341806823 475317965 /nfs/dbraw/zinc/31/79/65/475317965.db2.gz BKFUHTWRJUYBPM-GFCCVEGCSA-N 0 1 329.356 2.898 20 5 EFBDMN Cc1ccc(S(=O)(=O)N[C@@H](C(C)C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000345641259 475327484 /nfs/dbraw/zinc/32/74/84/475327484.db2.gz OJZDMLWUQAIFGS-NSHDSACASA-N 0 1 340.323 2.768 20 5 EFBDMN CCC[C@H](N[C@@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352488513 475342436 /nfs/dbraw/zinc/34/24/36/475342436.db2.gz QYOVWCFUFDDZMT-GJZGRUSLSA-N 0 1 339.461 2.893 20 5 EFBDMN O=C(CCN1CCO[C@@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331652508 475365818 /nfs/dbraw/zinc/36/58/18/475365818.db2.gz KKWMNWLJLDXRIK-JKSUJKDBSA-N 0 1 333.388 2.567 20 5 EFBDMN COC(=O)Cc1ccc(NC[C@@H](c2ccco2)N(C)C)c([N+](=O)[O-])c1 ZINC000296563498 475371548 /nfs/dbraw/zinc/37/15/48/475371548.db2.gz PSVGUTHVXWLGIA-HNNXBMFYSA-N 0 1 347.371 2.618 20 5 EFBDMN Cc1nc(NC[C@H](C)N2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000296568575 475375772 /nfs/dbraw/zinc/37/57/72/475375772.db2.gz QHAIZZZQJPXVPX-JTQLQIEISA-N 0 1 333.417 2.613 20 5 EFBDMN Cc1cc(F)c(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000296620536 475398295 /nfs/dbraw/zinc/39/82/95/475398295.db2.gz BMXCKDDGWSMALS-LBPRGKRZSA-N 0 1 334.351 2.520 20 5 EFBDMN Cn1nccc1[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000361377917 475399484 /nfs/dbraw/zinc/39/94/84/475399484.db2.gz LGANQRWGKZHGSH-LBPRGKRZSA-N 0 1 341.371 2.849 20 5 EFBDMN O=C(CN1CC[C@@H](CC2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000339675598 475400030 /nfs/dbraw/zinc/40/00/30/475400030.db2.gz DYIYYGVYSNLZCD-AWEZNQCLSA-N 0 1 329.400 2.606 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296625085 475401573 /nfs/dbraw/zinc/40/15/73/475401573.db2.gz WTUZCPHMMCLTGM-MJBXVCDLSA-N 0 1 334.420 2.698 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345750516 475418263 /nfs/dbraw/zinc/41/82/63/475418263.db2.gz CVMFPIDZZGLKPK-MELADBBJSA-N 0 1 334.420 2.780 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345750515 475418306 /nfs/dbraw/zinc/41/83/06/475418306.db2.gz CVMFPIDZZGLKPK-IHRRRGAJSA-N 0 1 334.420 2.780 20 5 EFBDMN C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCOC1 ZINC000348135908 475418412 /nfs/dbraw/zinc/41/84/12/475418412.db2.gz LWIPDZCOWMZJHK-DGCLKSJQSA-N 0 1 332.360 2.550 20 5 EFBDMN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000354830023 475442914 /nfs/dbraw/zinc/44/29/14/475442914.db2.gz JJVQVFULIFSRBX-CHWSQXEVSA-N 0 1 345.374 2.903 20 5 EFBDMN Cc1ccsc1CNC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296726726 475450237 /nfs/dbraw/zinc/45/02/37/475450237.db2.gz NNWNVRRRPJZXAM-LBPRGKRZSA-N 0 1 333.413 2.932 20 5 EFBDMN COc1ccc(CN(C)[C@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000361469155 475473127 /nfs/dbraw/zinc/47/31/27/475473127.db2.gz LLNVPLJDLFMVAT-OAHLLOKOSA-N 0 1 343.383 2.652 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339758578 475474842 /nfs/dbraw/zinc/47/48/42/475474842.db2.gz MDXHFKQEXBENQF-CVEARBPZSA-N 0 1 340.807 2.658 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCc3cccc(F)c3C2)c1[N+](=O)[O-] ZINC000331984709 475477011 /nfs/dbraw/zinc/47/70/11/475477011.db2.gz NQEMWLAMFWJEHY-UHFFFAOYSA-N 0 1 332.335 2.779 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000296818877 475489867 /nfs/dbraw/zinc/48/98/67/475489867.db2.gz FVRRTISWMASYOT-LLVKDONJSA-N 0 1 325.796 2.805 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC12CCC(CC1)C2 ZINC000339786307 475501966 /nfs/dbraw/zinc/50/19/66/475501966.db2.gz GBXFTGVRWYAMQD-UHFFFAOYSA-N 0 1 328.365 2.593 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@](C)(c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000332182108 475546312 /nfs/dbraw/zinc/54/63/12/475546312.db2.gz VVFQKYRQLQKBQV-KRWDZBQOSA-N 0 1 328.372 2.739 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000296961311 475554934 /nfs/dbraw/zinc/55/49/34/475554934.db2.gz WJCMVDFBNMADIL-LBPRGKRZSA-N 0 1 336.392 2.551 20 5 EFBDMN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCN1C ZINC000346427598 475599775 /nfs/dbraw/zinc/59/97/75/475599775.db2.gz VGVKERQVNGFLRM-NOZJJQNGSA-N 0 1 345.321 2.826 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000297081208 475603003 /nfs/dbraw/zinc/60/30/03/475603003.db2.gz VYXCSZOEPYRUFM-GFCCVEGCSA-N 0 1 337.445 2.873 20 5 EFBDMN CN(Cc1ccccc1)C1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000342719024 475630858 /nfs/dbraw/zinc/63/08/58/475630858.db2.gz AZZSIIWOUWNOEC-UHFFFAOYSA-N 0 1 343.358 2.690 20 5 EFBDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000332490484 475651504 /nfs/dbraw/zinc/65/15/04/475651504.db2.gz ONZGLPCBJWADQC-UKRRQHHQSA-N 0 1 349.456 2.772 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332505954 475655269 /nfs/dbraw/zinc/65/52/69/475655269.db2.gz IEAZKWMTGUDLGV-CABCVRRESA-N 0 1 331.416 2.910 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000332505954 475655277 /nfs/dbraw/zinc/65/52/77/475655277.db2.gz IEAZKWMTGUDLGV-CABCVRRESA-N 0 1 331.416 2.910 20 5 EFBDMN C[C@H](NC(=O)N1C[C@@H]2CCCCN2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000332522387 475658169 /nfs/dbraw/zinc/65/81/69/475658169.db2.gz ZSWTUPUGADYXRC-KEYYUXOJSA-N 0 1 346.431 2.924 20 5 EFBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000297215758 475661657 /nfs/dbraw/zinc/66/16/57/475661657.db2.gz GXQQLXQURRIYKG-NWDGAFQWSA-N 0 1 349.412 2.654 20 5 EFBDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000332585977 475676815 /nfs/dbraw/zinc/67/68/15/475676815.db2.gz IMLIVNFOSLZISA-YPMHNXCESA-N 0 1 336.367 2.824 20 5 EFBDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000332585975 475677722 /nfs/dbraw/zinc/67/77/22/475677722.db2.gz IMLIVNFOSLZISA-WCQYABFASA-N 0 1 336.367 2.824 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[nH]1 ZINC000343001667 475689603 /nfs/dbraw/zinc/68/96/03/475689603.db2.gz ONLGMGPQKRJYAA-MRVPVSSYSA-N 0 1 337.767 2.981 20 5 EFBDMN COc1cc(CN[C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000348522154 475722041 /nfs/dbraw/zinc/72/20/41/475722041.db2.gz VSSLIXVUNIYFQT-ZYHUDNBSSA-N 0 1 334.294 2.992 20 5 EFBDMN CNC(=O)C1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000297364493 475725161 /nfs/dbraw/zinc/72/51/61/475725161.db2.gz HYFITQICITVGMD-UHFFFAOYSA-N 0 1 331.397 2.501 20 5 EFBDMN CN(C)C1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000343060463 475732177 /nfs/dbraw/zinc/73/21/77/475732177.db2.gz SBRLIOBNZAXWFO-UHFFFAOYSA-N 0 1 340.383 2.724 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000348534111 475733182 /nfs/dbraw/zinc/73/31/82/475733182.db2.gz OXIKQCBOIQZGFG-GOEBONIOSA-N 0 1 330.388 2.556 20 5 EFBDMN CC(C)OCCN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297418978 475750417 /nfs/dbraw/zinc/75/04/17/475750417.db2.gz HCCVJMGUGDZAKJ-UHFFFAOYSA-N 0 1 344.415 2.690 20 5 EFBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000346671050 475751188 /nfs/dbraw/zinc/75/11/88/475751188.db2.gz OZSHVGMXUFKTDY-LLVKDONJSA-N 0 1 328.324 2.724 20 5 EFBDMN COc1ccc(-c2n[nH]c(CNc3nc(C)ccc3[N+](=O)[O-])n2)cc1 ZINC000361809837 475771770 /nfs/dbraw/zinc/77/17/70/475771770.db2.gz ALZSHNGUZKWODQ-UHFFFAOYSA-N 0 1 340.343 2.704 20 5 EFBDMN COc1ccc(-c2nc(CNc3nc(C)ccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000361809837 475771780 /nfs/dbraw/zinc/77/17/80/475771780.db2.gz ALZSHNGUZKWODQ-UHFFFAOYSA-N 0 1 340.343 2.704 20 5 EFBDMN COc1cc(CN2CCCC[C@H]2c2n[nH]c(C)n2)ccc1[N+](=O)[O-] ZINC000338332719 475796374 /nfs/dbraw/zinc/79/63/74/475796374.db2.gz MYDOZIKSCPGPSK-AWEZNQCLSA-N 0 1 331.376 2.757 20 5 EFBDMN C[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338334933 475798491 /nfs/dbraw/zinc/79/84/91/475798491.db2.gz UCGHKKGJRRQIOF-QLFBSQMISA-N 0 1 333.432 2.857 20 5 EFBDMN Cc1ccsc1CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000358601746 475800164 /nfs/dbraw/zinc/80/01/64/475800164.db2.gz MSESUJGRVJGIMK-UHFFFAOYSA-N 0 1 344.389 2.625 20 5 EFBDMN C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297544070 475800781 /nfs/dbraw/zinc/80/07/81/475800781.db2.gz JCZOLLYUXZDMGR-DVOMOZLQSA-N 0 1 334.420 2.637 20 5 EFBDMN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000338345111 475808749 /nfs/dbraw/zinc/80/87/49/475808749.db2.gz ROSRFLGGRUCCIK-NSHDSACASA-N 0 1 332.335 2.808 20 5 EFBDMN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350960 475815090 /nfs/dbraw/zinc/81/50/90/475815090.db2.gz RJKRFEXGERNYBS-OAGGEKHMSA-N 0 1 347.459 2.962 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346763895 475838353 /nfs/dbraw/zinc/83/83/53/475838353.db2.gz FNJWSHRASCPCPN-ZIAGYGMSSA-N 0 1 333.432 2.814 20 5 EFBDMN CCNc1ccc(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346769707 475842784 /nfs/dbraw/zinc/84/27/84/475842784.db2.gz KXJAJOJNGKROJG-OLZOCXBDSA-N 0 1 334.420 2.581 20 5 EFBDMN CCOC(=O)c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000355379333 475884875 /nfs/dbraw/zinc/88/48/75/475884875.db2.gz HHQQFHHKWPQFTL-UHFFFAOYSA-N 0 1 330.296 2.729 20 5 EFBDMN CCc1cnccc1[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000358726981 475886326 /nfs/dbraw/zinc/88/63/26/475886326.db2.gz ZVYGYMYVRXRWQN-SNVBAGLBSA-N 0 1 339.355 2.920 20 5 EFBDMN CCN1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000343267461 475905790 /nfs/dbraw/zinc/90/57/90/475905790.db2.gz UZHJYAFYOGRNJY-JTQLQIEISA-N 0 1 328.210 2.888 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)c1 ZINC000338460186 475925896 /nfs/dbraw/zinc/92/58/96/475925896.db2.gz XXFPOOQLAYUPRN-OLZOCXBDSA-N 0 1 335.404 2.548 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)N(CC)C[C@@H]2C)c1 ZINC000338460194 475926205 /nfs/dbraw/zinc/92/62/05/475926205.db2.gz XXFPOOQLAYUPRN-STQMWFEESA-N 0 1 335.404 2.548 20 5 EFBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000353400510 475938593 /nfs/dbraw/zinc/93/85/93/475938593.db2.gz GLHBXBDGLZFTTB-LLVKDONJSA-N 0 1 327.340 2.777 20 5 EFBDMN CCO[C@@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000362021178 475942493 /nfs/dbraw/zinc/94/24/93/475942493.db2.gz YSWTYDQGGGLQCN-NVXWUHKLSA-N 0 1 338.404 2.666 20 5 EFBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000343318730 475946553 /nfs/dbraw/zinc/94/65/53/475946553.db2.gz IRGFLEPWAYZJRQ-LLVKDONJSA-N 0 1 335.429 2.673 20 5 EFBDMN Cn1c(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000340337492 475958741 /nfs/dbraw/zinc/95/87/41/475958741.db2.gz RIBBEEXVTAIJHN-UHFFFAOYSA-N 0 1 335.270 3.000 20 5 EFBDMN C[C@@H]1c2cccn2CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298071148 475973337 /nfs/dbraw/zinc/97/33/37/475973337.db2.gz FACYGYBZSHWSNM-CYBMUJFWSA-N 0 1 328.372 2.802 20 5 EFBDMN O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000343363551 475988475 /nfs/dbraw/zinc/98/84/75/475988475.db2.gz KKEVOOGWIDDHMN-SUMWQHHRSA-N 0 1 342.351 2.808 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2cccnc2)c1 ZINC000346972883 476001850 /nfs/dbraw/zinc/00/18/50/476001850.db2.gz NTSQAHFLSHWAEP-WMZOPIPTSA-N 0 1 343.383 2.567 20 5 EFBDMN Cc1nc2c(cccc2C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[nH]1 ZINC000338573592 476018785 /nfs/dbraw/zinc/01/87/85/476018785.db2.gz JNBCIIYKVIFXHW-UHFFFAOYSA-N 0 1 336.351 2.978 20 5 EFBDMN COCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[C@H](C)C1 ZINC000362152630 476035468 /nfs/dbraw/zinc/03/54/68/476035468.db2.gz WEQKHGLUJULTSO-ZFWWWQNUSA-N 0 1 349.431 2.979 20 5 EFBDMN CC(C)(C)CCN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000340442825 476038427 /nfs/dbraw/zinc/03/84/27/476038427.db2.gz MSRNLQDRTZDKNE-UHFFFAOYSA-N 0 1 349.431 2.554 20 5 EFBDMN COCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000362163219 476042889 /nfs/dbraw/zinc/04/28/89/476042889.db2.gz OOHHIWSEABGPMS-HIFRSBDPSA-N 0 1 349.431 2.979 20 5 EFBDMN CN(Cc1ccccc1)C1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000343623613 476093889 /nfs/dbraw/zinc/09/38/89/476093889.db2.gz GYQFMOZXVZPNCJ-UHFFFAOYSA-N 0 1 332.791 2.964 20 5 EFBDMN CN(Cc1ccccc1)C1CN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000343632940 476095875 /nfs/dbraw/zinc/09/58/75/476095875.db2.gz RZZNULAIBGQEKX-UHFFFAOYSA-N 0 1 349.394 2.859 20 5 EFBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ncnn1CC ZINC000359054676 476150111 /nfs/dbraw/zinc/15/01/11/476150111.db2.gz LRFPKWBXAXQFRH-LBPRGKRZSA-N 0 1 335.433 2.867 20 5 EFBDMN COc1cccc(F)c1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000359078486 476169748 /nfs/dbraw/zinc/16/97/48/476169748.db2.gz COPSZGJMXLRGTC-UHFFFAOYSA-N 0 1 340.332 2.852 20 5 EFBDMN CN1CCN(CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000340648750 476179766 /nfs/dbraw/zinc/17/97/66/476179766.db2.gz DFYNIDBEXYUIDN-UHFFFAOYSA-N 0 1 327.384 2.926 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c1[N+](=O)[O-] ZINC000357052992 476191084 /nfs/dbraw/zinc/19/10/84/476191084.db2.gz GIMULKBZCGLCLG-ATWMFIQVSA-N 0 1 326.356 2.944 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccs1 ZINC000344260843 476194553 /nfs/dbraw/zinc/19/45/53/476194553.db2.gz WJBOWWRWEGVUEU-CYBMUJFWSA-N 0 1 337.376 2.828 20 5 EFBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000344274230 476206921 /nfs/dbraw/zinc/20/69/21/476206921.db2.gz DOVSTSRGEZQBDI-UHFFFAOYSA-N 0 1 341.302 2.700 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000347256234 476209008 /nfs/dbraw/zinc/20/90/08/476209008.db2.gz GFHRMFFOTVNDDU-MRVPVSSYSA-N 0 1 336.327 2.858 20 5 EFBDMN O=C([O-])[C@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCSC1 ZINC000340692080 476210939 /nfs/dbraw/zinc/21/09/39/476210939.db2.gz RQEQLNSQYYLFPH-INIZCTEOSA-N 0 1 348.380 2.905 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000359542962 476247956 /nfs/dbraw/zinc/24/79/56/476247956.db2.gz DKFQUOARCUCPOX-XHDPSFHLSA-N 0 1 348.403 2.615 20 5 EFBDMN Cc1cc(-c2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)cc([N+](=O)[O-])c1 ZINC000347312732 476250555 /nfs/dbraw/zinc/25/05/55/476250555.db2.gz DLNZDWBMYPDFOC-WMLDXEAASA-N 0 1 344.371 2.879 20 5 EFBDMN Cc1cc(-c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)cc([N+](=O)[O-])c1 ZINC000347312738 476251430 /nfs/dbraw/zinc/25/14/30/476251430.db2.gz DLNZDWBMYPDFOC-YOEHRIQHSA-N 0 1 344.371 2.879 20 5 EFBDMN C[C@]12CCCN1C[C@H](c1noc(-c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000347313906 476252629 /nfs/dbraw/zinc/25/26/29/476252629.db2.gz DQTZULPAONJTGI-CZUORRHYSA-N 0 1 330.344 2.571 20 5 EFBDMN COc1cccc2c(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)n[nH]c21 ZINC000362505000 476288536 /nfs/dbraw/zinc/28/85/36/476288536.db2.gz KVQOWHIZUAJICW-UHFFFAOYSA-N 0 1 338.323 2.683 20 5 EFBDMN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(Cl)ccc3O)n2)n1C ZINC000350918490 476313564 /nfs/dbraw/zinc/31/35/64/476313564.db2.gz ABXQUQIBINJDJB-UHFFFAOYSA-N 0 1 335.707 2.713 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)NCCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000353965975 476339774 /nfs/dbraw/zinc/33/97/74/476339774.db2.gz KGSHTJUGWIDVNY-AWEZNQCLSA-N 0 1 332.404 2.525 20 5 EFBDMN C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000354015352 476365885 /nfs/dbraw/zinc/36/58/85/476365885.db2.gz RFRAULUZMZYGEU-CYBMUJFWSA-N 0 1 331.416 2.852 20 5 EFBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(O[C@H]2CCOC2)CC1 ZINC000354040882 476385392 /nfs/dbraw/zinc/38/53/92/476385392.db2.gz PDANIFNFCHFARM-IVZVJUQRSA-N 0 1 332.400 2.878 20 5 EFBDMN C[C@@H]1CCCC[N@H+]1CCCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362825060 476427759 /nfs/dbraw/zinc/42/77/59/476427759.db2.gz DZSRQFDFHBKVCK-CYBMUJFWSA-N 0 1 345.403 2.743 20 5 EFBDMN Cc1c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cccc1[N+](=O)[O-] ZINC000369661512 476465577 /nfs/dbraw/zinc/46/55/77/476465577.db2.gz BYPQRFQCQNLFGS-UHFFFAOYSA-N 0 1 345.359 2.845 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000360940433 476490983 /nfs/dbraw/zinc/49/09/83/476490983.db2.gz ZFXJMKKOEPDPII-OFQRWUPVSA-N 0 1 333.432 2.715 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000354199797 476496671 /nfs/dbraw/zinc/49/66/71/476496671.db2.gz IHWJAIBSLXPMHW-UHFFFAOYSA-N 0 1 334.353 2.734 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 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CC(C)(N)c1noc(COc2ccc([N+](=O)[O-])c3ccccc23)n1 ZINC000391594125 476814142 /nfs/dbraw/zinc/81/41/42/476814142.db2.gz BXNKMIPLYORDJQ-UHFFFAOYSA-N 0 1 328.328 2.904 20 5 EFBDMN O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000370488751 476835082 /nfs/dbraw/zinc/83/50/82/476835082.db2.gz SAKKHELMAGAOPM-BPLDGKMQSA-N 0 1 331.759 2.606 20 5 EFBDMN C[N@@H+](CCCC(=O)[O-])CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430668729 476894313 /nfs/dbraw/zinc/89/43/13/476894313.db2.gz IWBVPCVRKPUDAX-UHFFFAOYSA-N 0 1 333.344 2.589 20 5 EFBDMN CC1(CC(F)(F)F)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000457141694 476899485 /nfs/dbraw/zinc/89/94/85/476899485.db2.gz KWZSOJBUWJDFDU-UHFFFAOYSA-N 0 1 342.277 2.886 20 5 EFBDMN O=C(c1c[nH]c2ccccc2c1=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446885442 476931350 /nfs/dbraw/zinc/93/13/50/476931350.db2.gz WPRAUGAVFMALMA-UHFFFAOYSA-N 0 1 349.346 2.635 20 5 EFBDMN Cc1ccc(NC(=O)CCN(C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000446991805 476941557 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COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000411164095 477134617 /nfs/dbraw/zinc/13/46/17/477134617.db2.gz LNVFHZFAXYFFHE-UHFFFAOYSA-N 0 1 347.371 2.665 20 5 EFBDMN Cc1c(-c2noc(CCCCc3cn[nH]n3)n2)cccc1[N+](=O)[O-] ZINC000453264710 477204813 /nfs/dbraw/zinc/20/48/13/477204813.db2.gz VRKKQADKQRQMLV-UHFFFAOYSA-N 0 1 328.332 2.637 20 5 EFBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C1Cc2ccccc2C1 ZINC000432507436 477225655 /nfs/dbraw/zinc/22/56/55/477225655.db2.gz RUKUFFBFDNQURU-UHFFFAOYSA-N 0 1 349.350 2.733 20 5 EFBDMN C[C@H](NC(=O)NCc1n[nH]c(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000457844472 477227075 /nfs/dbraw/zinc/22/70/75/477227075.db2.gz DISNDTCTMYLHHX-JTQLQIEISA-N 0 1 346.391 2.571 20 5 EFBDMN CC[C@H]1CN(CC)CCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000457843697 477227778 /nfs/dbraw/zinc/22/77/78/477227778.db2.gz CGVNJLXXFZQYOL-HIFRSBDPSA-N 0 1 334.420 2.782 20 5 EFBDMN CN(CCN1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000432926373 477285996 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1 349.387 2.561 20 5 EFBDMN COc1ccnc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000424307664 477365097 /nfs/dbraw/zinc/36/50/97/477365097.db2.gz MJNMGPFCSNYKBC-CQSZACIVSA-N 0 1 328.372 2.504 20 5 EFBDMN COc1ccc(CN2CCC(c3ccncn3)CC2)cc1[N+](=O)[O-] ZINC000411823264 477382128 /nfs/dbraw/zinc/38/21/28/477382128.db2.gz COQMJQNAKCCZJP-UHFFFAOYSA-N 0 1 328.372 2.773 20 5 EFBDMN O=C([C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000376549995 477395030 /nfs/dbraw/zinc/39/50/30/477395030.db2.gz BUQAZOWAZIGSPF-CYBMUJFWSA-N 0 1 337.807 2.693 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412395992 477421672 /nfs/dbraw/zinc/42/16/72/477421672.db2.gz ICCHSNITKHTUAR-HYVNUMGLSA-N 0 1 331.416 2.641 20 5 EFBDMN CC[C@H]1CN(CC)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412395991 477421935 /nfs/dbraw/zinc/42/19/35/477421935.db2.gz ICCHSNITKHTUAR-BHYGNILZSA-N 0 1 331.416 2.641 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnnn1Cc1cccs1 ZINC000436474657 477487904 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Cc1ccc([C@H](C)NC(=O)c2csc(=NC3CC3)[nH]2)cc1[N+](=O)[O-] ZINC000426665627 477735907 /nfs/dbraw/zinc/73/59/07/477735907.db2.gz LSAGFUKFICSVFI-JTQLQIEISA-N 0 1 346.412 2.847 20 5 EFBDMN CCN1CCN(CC(C)(C)Nc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000450921032 477762513 /nfs/dbraw/zinc/76/25/13/477762513.db2.gz CZEMFXOUOJQNHE-UHFFFAOYSA-N 0 1 348.447 2.625 20 5 EFBDMN O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000437864942 477768234 /nfs/dbraw/zinc/76/82/34/477768234.db2.gz FAFYLAIIIFURKP-OAHLLOKOSA-N 0 1 347.415 2.827 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000427902484 477785659 /nfs/dbraw/zinc/78/56/59/477785659.db2.gz OELQPETWTAWJRS-MRXNPFEDSA-N 0 1 346.314 2.653 20 5 EFBDMN CN(CCOc1ccccc1F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427937022 477789912 /nfs/dbraw/zinc/78/99/12/477789912.db2.gz GGMVQGKTMHNGGX-UHFFFAOYSA-N 0 1 334.303 2.591 20 5 EFBDMN CCCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC000456194766 477814582 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O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000520594798 478328824 /nfs/dbraw/zinc/32/88/24/478328824.db2.gz SBDGGLGNTKJXFO-QGZVFWFLSA-N 0 1 342.351 2.658 20 5 EFBDMN COCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@@H]1C ZINC000490335328 478330642 /nfs/dbraw/zinc/33/06/42/478330642.db2.gz FGHLUNNAECDPNB-NHYWBVRUSA-N 0 1 346.387 2.748 20 5 EFBDMN Cc1ccc(C(C)(C)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc1 ZINC000600308256 478331449 /nfs/dbraw/zinc/33/14/49/478331449.db2.gz MVDDCTBZFUSXRJ-UHFFFAOYSA-N 0 1 329.356 2.711 20 5 EFBDMN CN1CCCC[C@@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590774975 478331756 /nfs/dbraw/zinc/33/17/56/478331756.db2.gz AQGBLUWIICFQKB-DOTOQJQBSA-N 0 1 331.416 2.785 20 5 EFBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cn3ccsc3n2)n1 ZINC000520720197 478337078 /nfs/dbraw/zinc/33/70/78/478337078.db2.gz YJQYGJXPMZSZPL-QWHCGFSZSA-N 0 1 346.416 2.774 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000594375429 478350012 /nfs/dbraw/zinc/35/00/12/478350012.db2.gz OGMNUIOVRULPNJ-TXEJJXNPSA-N 0 1 330.388 2.631 20 5 EFBDMN CCC(C)(C)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000594390698 478358864 /nfs/dbraw/zinc/35/88/64/478358864.db2.gz YPPYJWNETJEVCU-UHFFFAOYSA-N 0 1 335.404 2.550 20 5 EFBDMN COc1ccc2c(c1)CN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C2 ZINC000594401701 478365275 /nfs/dbraw/zinc/36/52/75/478365275.db2.gz ZOVDADCYVBDBMC-UHFFFAOYSA-N 0 1 330.344 2.606 20 5 EFBDMN C=CC(=O)Nc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1F ZINC000490704262 478372960 /nfs/dbraw/zinc/37/29/60/478372960.db2.gz JSJXIUMVMJBXAP-UHFFFAOYSA-N 0 1 345.286 2.816 20 5 EFBDMN COc1cccc2c1CN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])CC2 ZINC000590876689 478380820 /nfs/dbraw/zinc/38/08/20/478380820.db2.gz IALUYRZSBFAFIB-UHFFFAOYSA-N 0 1 344.371 2.648 20 5 EFBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CN(C)C2)C1 ZINC000597572785 478415234 /nfs/dbraw/zinc/41/52/34/478415234.db2.gz RTBKAVDVTLZBGQ-UHFFFAOYSA-N 0 1 349.456 2.875 20 5 EFBDMN CC[C@H](NCc1n[nH]c([C@@H]2CCCO2)n1)c1cccc([N+](=O)[O-])c1 ZINC000594507289 478417721 /nfs/dbraw/zinc/41/77/21/478417721.db2.gz CFTDGGLSWIAQOQ-KBPBESRZSA-N 0 1 331.376 2.805 20 5 EFBDMN Cc1ccc([C@@H](C)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000594511433 478419658 /nfs/dbraw/zinc/41/96/58/478419658.db2.gz NGIKWNUPAMMAOB-RISCZKNCSA-N 0 1 331.376 2.724 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594511779 478420317 /nfs/dbraw/zinc/42/03/17/478420317.db2.gz OTHNSWQZPPGALF-RISCZKNCSA-N 0 1 331.376 2.724 20 5 EFBDMN CCOC(=O)N(C)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000491042447 478431772 /nfs/dbraw/zinc/43/17/72/478431772.db2.gz SYPFQZLTQPGFMT-UHFFFAOYSA-N 0 1 335.404 2.956 20 5 EFBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c([C@@H]3CCCO3)n2)c2ccncc21 ZINC000594588493 478449982 /nfs/dbraw/zinc/44/99/82/478449982.db2.gz BFUKXQDVXMBAHM-AWEZNQCLSA-N 0 1 340.343 2.725 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc3c2OCC3)c1 ZINC000600660932 478457966 /nfs/dbraw/zinc/45/79/66/478457966.db2.gz UGEHBJLJGVBBNL-UHFFFAOYSA-N 0 1 348.380 2.947 20 5 EFBDMN CCOc1cc(C[N@@H+]2CCc3occc3[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000600673865 478461728 /nfs/dbraw/zinc/46/17/28/478461728.db2.gz JEYMYVYUTRTGNQ-MRXNPFEDSA-N 0 1 346.339 2.771 20 5 EFBDMN CCOc1cc(C[N@H+]2CCc3occc3[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000600673865 478461735 /nfs/dbraw/zinc/46/17/35/478461735.db2.gz JEYMYVYUTRTGNQ-MRXNPFEDSA-N 0 1 346.339 2.771 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCC[C@H]21 ZINC000600675614 478464005 /nfs/dbraw/zinc/46/40/05/478464005.db2.gz QSCUAQTYELUXSN-YWPYICTPSA-N 0 1 344.371 2.546 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCC[C@H]21 ZINC000600675614 478464009 /nfs/dbraw/zinc/46/40/09/478464009.db2.gz QSCUAQTYELUXSN-YWPYICTPSA-N 0 1 344.371 2.546 20 5 EFBDMN CO[C@@H](CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000594696463 478502005 /nfs/dbraw/zinc/50/20/05/478502005.db2.gz OKAUDSZXSSFBID-HNNXBMFYSA-N 0 1 342.417 2.932 20 5 EFBDMN C[N@@H+](CCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000571051064 478511570 /nfs/dbraw/zinc/51/15/70/478511570.db2.gz XSIPCIPGNKOEHW-UHFFFAOYSA-N 0 1 336.392 2.755 20 5 EFBDMN CCC(O)(CC)CN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000600768354 478513112 /nfs/dbraw/zinc/51/31/12/478513112.db2.gz VZJLEGQLUOYTSZ-UHFFFAOYSA-N 0 1 346.387 2.608 20 5 EFBDMN O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2O)cc1 ZINC000594767181 478536152 /nfs/dbraw/zinc/53/61/52/478536152.db2.gz RMYHFWQBADOKRP-UHFFFAOYSA-N 0 1 348.380 2.654 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(CCCc3ccsc3)CC2)cn1 ZINC000541160794 478539983 /nfs/dbraw/zinc/53/99/83/478539983.db2.gz CNXGTQRMAOEXJZ-UHFFFAOYSA-N 0 1 332.429 2.806 20 5 EFBDMN CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)C1 ZINC000563409379 478551414 /nfs/dbraw/zinc/55/14/14/478551414.db2.gz WTYMTMOIOJYSCO-AOOOYVTPSA-N 0 1 341.795 2.509 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000563537435 478582435 /nfs/dbraw/zinc/58/24/35/478582435.db2.gz MBIRFKZKXMXHPQ-DZGCQCFKSA-N 0 1 345.399 2.746 20 5 EFBDMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571463799 478602749 /nfs/dbraw/zinc/60/27/49/478602749.db2.gz IXFCENWNDISKHH-KRWDZBQOSA-N 0 1 342.351 2.924 20 5 EFBDMN COc1ccccc1[C@H](N)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000591681038 478605556 /nfs/dbraw/zinc/60/55/56/478605556.db2.gz MZYFVKQLPWJPNU-OAHLLOKOSA-N 0 1 343.383 2.650 20 5 EFBDMN Cc1nc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])sc1C ZINC000591745666 478618273 /nfs/dbraw/zinc/61/82/73/478618273.db2.gz XCDQBQPHESALNA-UHFFFAOYSA-N 0 1 334.401 2.787 20 5 EFBDMN CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000571564873 478627077 /nfs/dbraw/zinc/62/70/77/478627077.db2.gz BAVPLAMSWYPIAV-ZDUSSCGKSA-N 0 1 335.404 2.770 20 5 EFBDMN CCC[C@H](C)C(=O)NCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039596 478637889 /nfs/dbraw/zinc/63/78/89/478637889.db2.gz TZDRUVWXRFTMHH-QWHCGFSZSA-N 0 1 337.420 2.806 20 5 EFBDMN CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595043600 478638805 /nfs/dbraw/zinc/63/88/05/478638805.db2.gz WTYIGMMTHHSKMV-LRDDRELGSA-N 0 1 337.420 2.757 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000595044672 478640725 /nfs/dbraw/zinc/64/07/25/478640725.db2.gz NMAIZLZYSJMABI-IUPBHXKESA-N 0 1 330.331 2.803 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000595279725 478711126 /nfs/dbraw/zinc/71/11/26/478711126.db2.gz ZUDKPCAWBAZACG-GUYCJALGSA-N 0 1 334.372 2.680 20 5 EFBDMN O=C([O-])[C@]12C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000595279453 478711681 /nfs/dbraw/zinc/71/16/81/478711681.db2.gz OLDLCOPWCQFBAO-CXAGYDPISA-N 0 1 334.372 2.550 20 5 EFBDMN C[C@@H]1CN(CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@@H](C)O1 ZINC000595358830 478745535 /nfs/dbraw/zinc/74/55/35/478745535.db2.gz YOFORBBTGBESLY-HUUCEWRRSA-N 0 1 333.432 2.668 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000598306602 478757412 /nfs/dbraw/zinc/75/74/12/478757412.db2.gz IAJUJCIWHGNYRK-MLGOLLRUSA-N 0 1 334.372 2.722 20 5 EFBDMN Cc1noc(CN2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595403436 478763012 /nfs/dbraw/zinc/76/30/12/478763012.db2.gz FICDEHCIIIZRBC-KGLIPLIRSA-N 0 1 344.415 2.986 20 5 EFBDMN C[C@@H](NC[C@H](n1cncn1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601295649 478770700 /nfs/dbraw/zinc/77/07/00/478770700.db2.gz ZEKHCRXWXWHIPC-SKDRFNHKSA-N 0 1 329.282 2.641 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](n1cncn1)C(F)(F)F ZINC000601295534 478770789 /nfs/dbraw/zinc/77/07/89/478770789.db2.gz WZEYSVHHJHAVDC-GWCFXTLKSA-N 0 1 343.309 2.949 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@H](C)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601300654 478775186 /nfs/dbraw/zinc/77/51/86/478775186.db2.gz ISPKZEXENZBBDH-IGJMFERPSA-N 0 1 336.310 2.956 20 5 EFBDMN Cc1cccc([C@@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000543739901 478778664 /nfs/dbraw/zinc/77/86/64/478778664.db2.gz LHCVRFYQMMWWBV-INIZCTEOSA-N 0 1 327.340 2.981 20 5 EFBDMN C[C@@H]1CC2(CN1Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CCOCC2 ZINC000592182956 478814736 /nfs/dbraw/zinc/81/47/36/478814736.db2.gz DUAYLRPDHMLBLZ-GFCCVEGCSA-N 0 1 330.388 2.862 20 5 EFBDMN CCN(CCSC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000592200882 478824129 /nfs/dbraw/zinc/82/41/29/478824129.db2.gz RIJWJLJFOCNKND-NSHDSACASA-N 0 1 341.433 2.615 20 5 EFBDMN CO[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000598437254 478824136 /nfs/dbraw/zinc/82/41/36/478824136.db2.gz HHZYOLYGOBQTNU-HNNXBMFYSA-N 0 1 346.387 2.796 20 5 EFBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000583387005 478840502 /nfs/dbraw/zinc/84/05/02/478840502.db2.gz VPRKSNDPIJABIY-SFHVURJKSA-N 0 1 326.352 2.823 20 5 EFBDMN O=C1CCCN1[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595541027 478842589 /nfs/dbraw/zinc/84/25/89/478842589.db2.gz BTWYSCGTTPRFOH-HNNXBMFYSA-N 0 1 335.379 2.711 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1cnc[nH]1 ZINC000595595345 478874558 /nfs/dbraw/zinc/87/45/58/478874558.db2.gz URNJNNLVGFHWEZ-JTQLQIEISA-N 0 1 328.332 2.561 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000492274595 478905489 /nfs/dbraw/zinc/90/54/89/478905489.db2.gz RVNCNLGTUQUOPI-BXKUYDPTSA-N 0 1 347.350 2.866 20 5 EFBDMN C[C@@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000507231436 478910482 /nfs/dbraw/zinc/91/04/82/478910482.db2.gz MFPFTARJEJWFMU-RISCZKNCSA-N 0 1 347.337 2.509 20 5 EFBDMN C[C@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000507231435 478910512 /nfs/dbraw/zinc/91/05/12/478910512.db2.gz MFPFTARJEJWFMU-FZMZJTMJSA-N 0 1 347.337 2.509 20 5 EFBDMN Cc1ccc2c(c1)CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000595656569 478918641 /nfs/dbraw/zinc/91/86/41/478918641.db2.gz CGOOVRSGCVQGIN-SFHVURJKSA-N 0 1 342.395 2.701 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000492312764 478923804 /nfs/dbraw/zinc/92/38/04/478923804.db2.gz MPITVTDXGPSFLQ-TVRMLOFPSA-N 0 1 329.360 2.727 20 5 EFBDMN C[C@H](CO)[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595670665 478925925 /nfs/dbraw/zinc/92/59/25/478925925.db2.gz HVQLMQMOOAEFGS-DOMZBBRYSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@H](CO)[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595670618 478926887 /nfs/dbraw/zinc/92/68/87/478926887.db2.gz GIEXPCTWFXHECS-IUODEOHRSA-N 0 1 346.387 2.628 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](c3cccnc3)C1)OCCO2 ZINC000592520276 478927471 /nfs/dbraw/zinc/92/74/71/478927471.db2.gz JLHZORWFQQNBKM-CQSZACIVSA-N 0 1 341.367 2.751 20 5 EFBDMN C[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1CO ZINC000598647053 478942716 /nfs/dbraw/zinc/94/27/16/478942716.db2.gz MXNXRVKKYCKYHA-OCCSQVGLSA-N 0 1 331.372 2.700 20 5 EFBDMN C[C@H]1CCC[N@@H+](CCCCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000572884593 478943689 /nfs/dbraw/zinc/94/36/89/478943689.db2.gz MIMIDXJBDXDOGM-LBPRGKRZSA-N 0 1 336.392 2.612 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC(Cc2ccsc2)C1 ZINC000598705952 478982840 /nfs/dbraw/zinc/98/28/40/478982840.db2.gz NVFAXZUNLFWVIX-HNNXBMFYSA-N 0 1 348.424 2.571 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000583993982 478989229 /nfs/dbraw/zinc/98/92/29/478989229.db2.gz HDMNYWCIJLYAOT-DOMZBBRYSA-N 0 1 336.388 2.925 20 5 EFBDMN O=C(C=Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000492448248 478993641 /nfs/dbraw/zinc/99/36/41/478993641.db2.gz XTBCKNJFFNYDQZ-DOOKAGJSSA-N 0 1 349.350 2.632 20 5 EFBDMN C[C@@H]1CC2(CN1C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)CCOCC2 ZINC000592718726 479011902 /nfs/dbraw/zinc/01/19/02/479011902.db2.gz BUNIGBCWCJAUDS-LLVKDONJSA-N 0 1 344.371 2.502 20 5 EFBDMN CC1(F)CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000601869950 479049908 /nfs/dbraw/zinc/04/99/08/479049908.db2.gz UGFXZHBIJFNESG-UHFFFAOYSA-N 0 1 332.335 2.949 20 5 EFBDMN CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000565718346 479071247 /nfs/dbraw/zinc/07/12/47/479071247.db2.gz ILLNMAKMWYIFLV-NSHDSACASA-N 0 1 341.795 2.509 20 5 EFBDMN CCC[C@H]1CNCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915757 479085137 /nfs/dbraw/zinc/08/51/37/479085137.db2.gz OAUCBMOKNYKTCZ-NSHDSACASA-N 0 1 326.784 2.854 20 5 EFBDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000598936112 479089838 /nfs/dbraw/zinc/08/98/38/479089838.db2.gz JXYDGGRJXUKYCM-LRDDRELGSA-N 0 1 342.399 2.685 20 5 EFBDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000598936116 479090035 /nfs/dbraw/zinc/09/00/35/479090035.db2.gz JXYDGGRJXUKYCM-WBMJQRKESA-N 0 1 342.399 2.685 20 5 EFBDMN Cc1cc(NCCc2cn3c([nH+]2)CCCC3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969304 479110042 /nfs/dbraw/zinc/11/00/42/479110042.db2.gz UWSJAHGGNYWEMP-UHFFFAOYSA-N 0 1 344.371 2.789 20 5 EFBDMN CC[C@H]1CCCC[N@H+]1CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592972484 479112169 /nfs/dbraw/zinc/11/21/69/479112169.db2.gz KFSJSRZQNKCUJA-AWEZNQCLSA-N 0 1 335.404 2.898 20 5 EFBDMN CC1(C)CCC[N@@H+](CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000592977089 479113239 /nfs/dbraw/zinc/11/32/39/479113239.db2.gz ZZDZJEITMQOLEL-UHFFFAOYSA-N 0 1 335.404 2.756 20 5 EFBDMN CCn1nccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000596061221 479113971 /nfs/dbraw/zinc/11/39/71/479113971.db2.gz HAPNVFSEWZGSEI-UHFFFAOYSA-N 0 1 340.387 2.502 20 5 EFBDMN O=c1[nH]ccc(N2CCCN(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000596065197 479116959 /nfs/dbraw/zinc/11/69/59/479116959.db2.gz GGGVRAIQKLHSCH-UHFFFAOYSA-N 0 1 346.362 2.547 20 5 EFBDMN O=c1ccc([C@@H]2OCC[C@H]2NCc2ccc([N+](=O)[O-])cc2Cl)c[nH]1 ZINC000599002368 479122206 /nfs/dbraw/zinc/12/22/06/479122206.db2.gz UILPSEBVSKZLFL-ZBFHGGJFSA-N 0 1 349.774 2.969 20 5 EFBDMN CC[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)CO1 ZINC000593063184 479152104 /nfs/dbraw/zinc/15/21/04/479152104.db2.gz RCFZKVGQNPSLIO-TZMCWYRMSA-N 0 1 335.404 2.731 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)CO1 ZINC000593063270 479153521 /nfs/dbraw/zinc/15/35/21/479153521.db2.gz SYMNKPKNOPYHDT-HIFRSBDPSA-N 0 1 335.404 2.731 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CC[N@H+]3CC[C@H]2C3)nc1-c1ccc(F)cc1 ZINC000599084119 479155291 /nfs/dbraw/zinc/15/52/91/479155291.db2.gz RZBBHIOJOZDTKL-AWEZNQCLSA-N 0 1 328.347 2.690 20 5 EFBDMN O=C([O-])[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000584541695 479173503 /nfs/dbraw/zinc/17/35/03/479173503.db2.gz VLQNXQCTIZIKKX-NVXWUHKLSA-N 0 1 341.367 2.995 20 5 EFBDMN CC[C@@]1(O)CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000602983799 479178426 /nfs/dbraw/zinc/17/84/26/479178426.db2.gz UKHRVPNFKKPUOU-QGZVFWFLSA-N 0 1 331.372 2.987 20 5 EFBDMN CN1CCCC[C@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602106626 479179725 /nfs/dbraw/zinc/17/97/25/479179725.db2.gz DRRZKNBXFZKJAY-HOCLYGCPSA-N 0 1 335.429 2.653 20 5 EFBDMN CC[C@@H]1CN(C)CCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584574903 479183020 /nfs/dbraw/zinc/18/30/20/479183020.db2.gz HSTHZCVWASFHMV-DZGCQCFKSA-N 0 1 334.420 2.700 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000602997157 479185892 /nfs/dbraw/zinc/18/58/92/479185892.db2.gz DMFRTZPUZAENIS-ULQDDVLXSA-N 0 1 348.399 2.587 20 5 EFBDMN COc1cc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000602998079 479189070 /nfs/dbraw/zinc/18/90/70/479189070.db2.gz WWQIKBXCOHDWMD-NOLJZWGESA-N 0 1 338.379 2.868 20 5 EFBDMN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C1CC1 ZINC000593129255 479195329 /nfs/dbraw/zinc/19/53/29/479195329.db2.gz GXCNCFGHRPIITE-UONOGXRCSA-N 0 1 338.791 2.879 20 5 EFBDMN Cc1[nH]ncc1CN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000602167427 479212824 /nfs/dbraw/zinc/21/28/24/479212824.db2.gz MVIBBMZBRUOHAW-NSHDSACASA-N 0 1 334.401 2.766 20 5 EFBDMN Cc1nc([C@@H](C)Nc2c(Br)cccc2[N+](=O)[O-])n[nH]1 ZINC000596231791 479213474 /nfs/dbraw/zinc/21/34/74/479213474.db2.gz NEORNOKWJCFGJQ-ZCFIWIBFSA-N 0 1 326.154 2.957 20 5 EFBDMN C[C@@H]1[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000596235843 479215850 /nfs/dbraw/zinc/21/58/50/479215850.db2.gz NFWLISVEQQPQRI-OCCSQVGLSA-N 0 1 328.372 2.770 20 5 EFBDMN Cc1[nH]ncc1CN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000602174486 479218332 /nfs/dbraw/zinc/21/83/32/479218332.db2.gz WQWDAQPXDBFXFY-UHFFFAOYSA-N 0 1 334.351 2.702 20 5 EFBDMN Cc1cc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n[nH]1 ZINC000610880325 479220421 /nfs/dbraw/zinc/22/04/21/479220421.db2.gz DPPUQZCIBLGNDG-UHFFFAOYSA-N 0 1 329.360 2.501 20 5 EFBDMN CCO[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCCC2 ZINC000610891485 479224619 /nfs/dbraw/zinc/22/46/19/479224619.db2.gz QQMARFGTWHXWPO-LSDHHAIUSA-N 0 1 334.372 2.768 20 5 EFBDMN CCNc1ccc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593187910 479229079 /nfs/dbraw/zinc/22/90/79/479229079.db2.gz RPZWVQIDKKLOFI-FRRDWIJNSA-N 0 1 334.420 2.580 20 5 EFBDMN C[C@@H]1[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000593189262 479229899 /nfs/dbraw/zinc/22/98/99/479229899.db2.gz ZIYFAJCYNNXZND-HBNTYKKESA-N 0 1 325.796 2.801 20 5 EFBDMN CSc1cccc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000593189293 479230463 /nfs/dbraw/zinc/23/04/63/479230463.db2.gz KKEPZFLNYYVFLK-IJLUTSLNSA-N 0 1 337.445 2.870 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000593190527 479231728 /nfs/dbraw/zinc/23/17/28/479231728.db2.gz MFZQFBFUPLRLBP-NBPCOJJXSA-N 0 1 331.416 2.638 20 5 EFBDMN CCc1[nH]nc(C(=O)N2Cc3ccccc3C(F)(F)C2)c1[N+](=O)[O-] ZINC000610925694 479234275 /nfs/dbraw/zinc/23/42/75/479234275.db2.gz BILGQTITCQHJRL-UHFFFAOYSA-N 0 1 336.298 2.628 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCC=C(c3ccccn3)C2)c1[N+](=O)[O-] ZINC000557151199 479259934 /nfs/dbraw/zinc/25/99/34/479259934.db2.gz LLYQMTDRUHIOCQ-UHFFFAOYSA-N 0 1 341.371 2.595 20 5 EFBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1 ZINC000599516069 479319893 /nfs/dbraw/zinc/31/98/93/479319893.db2.gz LZYLVZPWMPLCHY-CYBMUJFWSA-N 0 1 336.342 2.949 20 5 EFBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000599516729 479320112 /nfs/dbraw/zinc/32/01/12/479320112.db2.gz XQXNYBLOGOROGM-CYBMUJFWSA-N 0 1 336.342 2.949 20 5 EFBDMN O=C([O-])c1cnc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000574640632 479321703 /nfs/dbraw/zinc/32/17/03/479321703.db2.gz MBTLFTYQGWZQFB-AWEZNQCLSA-N 0 1 348.403 2.897 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC3(CCOCC3)CC1)OCCO2 ZINC000585768015 479323750 /nfs/dbraw/zinc/32/37/50/479323750.db2.gz UQOQDNAQRDSVMO-UHFFFAOYSA-N 0 1 348.399 2.759 20 5 EFBDMN CCOC[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271840 479331771 /nfs/dbraw/zinc/33/17/71/479331771.db2.gz CHWOHYHQFUDYLY-CYBMUJFWSA-N 0 1 336.388 2.615 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc4ncccc34)CC2)cn1 ZINC000602439595 479333297 /nfs/dbraw/zinc/33/32/97/479333297.db2.gz NVNAZDTXRBPXNH-UHFFFAOYSA-N 0 1 349.394 2.860 20 5 EFBDMN O=[N+]([O-])c1c(NC[C@H]2CCN2Cc2ccccc2)nc2sccn21 ZINC000596554215 479337073 /nfs/dbraw/zinc/33/70/73/479337073.db2.gz WSMNZCYQUZHXSZ-CYBMUJFWSA-N 0 1 343.412 2.990 20 5 EFBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000611287301 479338049 /nfs/dbraw/zinc/33/80/49/479338049.db2.gz KQGQXHVFKDWONE-GUYCJALGSA-N 0 1 331.416 2.749 20 5 EFBDMN O=C(CN1CCC2(CCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000586783252 479352319 /nfs/dbraw/zinc/35/23/19/479352319.db2.gz OJEMUJRKSGNEDZ-UHFFFAOYSA-N 0 1 329.400 2.750 20 5 EFBDMN CNC(=O)[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602471815 479352431 /nfs/dbraw/zinc/35/24/31/479352431.db2.gz JEZVOPSNWLGGJQ-NSHDSACASA-N 0 1 345.321 2.572 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCc2cn[nH]c2C1 ZINC000602475762 479355634 /nfs/dbraw/zinc/35/56/34/479355634.db2.gz ZGSTVKJOXMGFAM-UHFFFAOYSA-N 0 1 326.278 2.895 20 5 EFBDMN COC(=O)[C@]1(C)CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602482220 479361046 /nfs/dbraw/zinc/36/10/46/479361046.db2.gz OOUHLQWXOXDYSV-CQSZACIVSA-N 0 1 346.305 2.999 20 5 EFBDMN COC(=O)[C@@]1(C)CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602482219 479361097 /nfs/dbraw/zinc/36/10/97/479361097.db2.gz OOUHLQWXOXDYSV-AWEZNQCLSA-N 0 1 346.305 2.999 20 5 EFBDMN Cc1cnc(N2CCN(C)C[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000593505196 479369280 /nfs/dbraw/zinc/36/92/80/479369280.db2.gz UOGADMDQFRBWGP-MRXNPFEDSA-N 0 1 326.400 2.661 20 5 EFBDMN C[C@H](Cn1cccn1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602509756 479374726 /nfs/dbraw/zinc/37/47/26/479374726.db2.gz RVYMWWULDBNEAS-MRVPVSSYSA-N 0 1 345.222 2.794 20 5 EFBDMN CN(CCCNCc1nc2cc([N+](=O)[O-])ccc2o1)CC(F)(F)F ZINC000602515572 479377524 /nfs/dbraw/zinc/37/75/24/479377524.db2.gz PYLHYCVJIZJLNY-UHFFFAOYSA-N 0 1 346.309 2.710 20 5 EFBDMN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611431690 479377876 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O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](CO)CCF)cs2)c1 ZINC000593690309 479424274 /nfs/dbraw/zinc/42/42/74/479424274.db2.gz WVXFKXGDLBIKGU-LLVKDONJSA-N 0 1 325.365 2.528 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000593737864 479440950 /nfs/dbraw/zinc/44/09/50/479440950.db2.gz XPZIZSLRFLHVAB-UHFFFAOYSA-N 0 1 334.372 2.686 20 5 EFBDMN COCC[C@@H]1CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593741912 479441868 /nfs/dbraw/zinc/44/18/68/479441868.db2.gz SRKGZFIMIKMCRK-ZDUSSCGKSA-N 0 1 336.388 2.932 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000593741290 479442458 /nfs/dbraw/zinc/44/24/58/479442458.db2.gz NMBLNDCUCUKKQU-AWEZNQCLSA-N 0 1 334.372 2.542 20 5 EFBDMN C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000593748553 479445980 /nfs/dbraw/zinc/44/59/80/479445980.db2.gz QOKLJFNDEKDZKD-UHFFFAOYSA-N 0 1 344.367 2.733 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000593748942 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CCN(CCc1ccccn1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769745464 577382135 /nfs/dbraw/zinc/38/21/35/577382135.db2.gz BNTFYOMNTZLJTD-UHFFFAOYSA-N 0 1 325.372 2.931 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000726771799 577384726 /nfs/dbraw/zinc/38/47/26/577384726.db2.gz BCKOKZJEGNFXRF-UHFFFAOYSA-N 0 1 337.339 2.618 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000726771799 577384727 /nfs/dbraw/zinc/38/47/27/577384727.db2.gz BCKOKZJEGNFXRF-UHFFFAOYSA-N 0 1 337.339 2.618 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)n[nH]1 ZINC000770013327 577397698 /nfs/dbraw/zinc/39/76/98/577397698.db2.gz JGICZTIAXBAHDY-ZETCQYMHSA-N 0 1 338.755 2.811 20 5 EFBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000770188291 577406229 /nfs/dbraw/zinc/40/62/29/577406229.db2.gz YHLPOKUULGMVQB-UHFFFAOYSA-N 0 1 330.348 2.788 20 5 EFBDMN C[C@@H](CCN1CCN(C)CC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000770221507 577407652 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O=[N+]([O-])c1ccc(Oc2c3ccccc3nnc2-c2nn[nH]n2)cc1 ZINC000738367246 598955353 /nfs/dbraw/zinc/95/53/53/598955353.db2.gz OJEVTLIDSPAKCZ-UHFFFAOYSA-N 0 1 335.283 2.510 20 5 EFBDMN O=C([O-])C[C@H]1CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000821516076 598201924 /nfs/dbraw/zinc/20/19/24/598201924.db2.gz OZLMYFHKLGBAII-CYBMUJFWSA-N 0 1 344.371 2.603 20 5 EFBDMN COc1ccc([C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737969381 599858063 /nfs/dbraw/zinc/85/80/63/599858063.db2.gz GMHFKNHZHNSZKO-OAHLLOKOSA-N 0 1 334.303 2.658 20 5 EFBDMN CC[N@@H+](CCC(=O)[O-])Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000737097308 600425279 /nfs/dbraw/zinc/42/52/79/600425279.db2.gz WQEFROPKXHRNHO-UHFFFAOYSA-N 0 1 325.346 2.626 20 5 EFBDMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000827928747 601012990 /nfs/dbraw/zinc/01/29/90/601012990.db2.gz OTGBAFUYKKVVBE-MNOVXSKESA-N 0 1 346.343 2.528 20 5 EFBDMN Cc1nn(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c2ccc([N+](=O)[O-])cc12 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EFBDMN O=[N+]([O-])c1ccc(Cl)cc1CN(CCOCCO)C1CCC1 ZINC000852290631 1299633877 /nfs/dbraw/zinc/63/38/77/1299633877.db2.gz CXPQNBLEBADWRZ-UHFFFAOYSA-N 0 1 328.796 2.612 20 5 EFBDMN C[N@@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000776594222 1299692318 /nfs/dbraw/zinc/69/23/18/1299692318.db2.gz ZCFNKSLAPFCKHK-OALUTQOASA-N 0 1 341.411 2.617 20 5 EFBDMN CN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000776594222 1299692336 /nfs/dbraw/zinc/69/23/36/1299692336.db2.gz ZCFNKSLAPFCKHK-OALUTQOASA-N 0 1 341.411 2.617 20 5 EFBDMN COc1ccc2c(c1)CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852550827 1299752473 /nfs/dbraw/zinc/75/24/73/1299752473.db2.gz HDSJHZCVHUYKMQ-GOSISDBHSA-N 0 1 328.368 2.695 20 5 EFBDMN COc1ccc2c(c1)CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852550989 1299753381 /nfs/dbraw/zinc/75/33/81/1299753381.db2.gz NGCHGLQPEOEWEO-SFHVURJKSA-N 0 1 328.368 2.695 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(N2CCOC2=O)CC1 ZINC000852721930 1299832065 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EFBDMN CC(C)[C@H]1CNCCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000859684384 1301533638 /nfs/dbraw/zinc/53/36/38/1301533638.db2.gz CEFXQOAVKAOMSP-GFCCVEGCSA-N 0 1 326.784 2.710 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Cl)n[nH]1 ZINC000860484945 1301823137 /nfs/dbraw/zinc/82/31/37/1301823137.db2.gz BACLYURWTIEXIG-QMMMGPOBSA-N 0 1 337.767 2.981 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1nnc2ccccc2c1O ZINC000118303891 1302145143 /nfs/dbraw/zinc/14/51/43/1302145143.db2.gz YDZYVYPNKWELDY-UHFFFAOYSA-N 0 1 338.323 2.700 20 5 EFBDMN CCC1(Nc2ccc([N+](=O)[O-])cc2)CCN(C(=O)c2ccn[nH]2)CC1 ZINC001066818303 1302230542 /nfs/dbraw/zinc/23/05/42/1302230542.db2.gz DIHDZSFCLMIHLM-UHFFFAOYSA-N 0 1 343.387 2.815 20 5 EFBDMN O=C(N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)[C@@H]1CC1[N+](=O)[O-] ZINC000863296365 1302581135 /nfs/dbraw/zinc/58/11/35/1302581135.db2.gz FQBXPVXEBKCVMG-KWCYVHTRSA-N 0 1 333.775 2.980 20 5 EFBDMN CN1CCN(C)[C@@H](CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC000865535983 1303300710 /nfs/dbraw/zinc/30/07/10/1303300710.db2.gz XRYLYPLANMSGEX-VIFPVBQESA-N 0 1 333.219 2.559 20 5 EFBDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1nnc2n1CCCCC2 ZINC000866215669 1303567341 /nfs/dbraw/zinc/56/73/41/1303567341.db2.gz NBLFSOUYEQCLRD-GFCCVEGCSA-N 0 1 347.394 2.773 20 5 EFBDMN C[C@](N)(C(=O)N[C@@H]1CCc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000867941842 1304030508 /nfs/dbraw/zinc/03/05/08/1304030508.db2.gz KHVVIHWIWTTYQT-SJLPKXTDSA-N 0 1 343.358 2.712 20 5 EFBDMN C[C@@H](Cc1cccs1)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867943145 1304031007 /nfs/dbraw/zinc/03/10/07/1304031007.db2.gz MZRSYNUVDGZDLR-MEDUHNTESA-N 0 1 333.413 2.578 20 5 EFBDMN Cc1ccc2c(c1)[C@@H](NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)CC2 ZINC000867947402 1304035323 /nfs/dbraw/zinc/03/53/23/1304035323.db2.gz FDEVMBKSBULBHK-PKOBYXMFSA-N 0 1 339.395 2.881 20 5 EFBDMN Cc1cccc([C@@H](C)CNC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)c1 ZINC000867948069 1304035841 /nfs/dbraw/zinc/03/58/41/1304035841.db2.gz XOYHRASALGNCMZ-IFXJQAMLSA-N 0 1 341.411 2.997 20 5 EFBDMN C[C@](N)(C(=O)N[C@H]1C[C@H]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867948533 1304036597 /nfs/dbraw/zinc/03/65/97/1304036597.db2.gz YGKSOJFJKDHZHL-XYJFISCASA-N 0 1 331.416 2.854 20 5 EFBDMN C[C@](N)(C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867948530 1304036683 /nfs/dbraw/zinc/03/66/83/1304036683.db2.gz YGKSOJFJKDHZHL-JFIYKMOQSA-N 0 1 331.416 2.854 20 5 EFBDMN C[C@](N)(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000867952624 1304039150 /nfs/dbraw/zinc/03/91/50/1304039150.db2.gz YPQKGRWAUURBGV-LZLYRXPVSA-N 0 1 343.358 2.580 20 5 EFBDMN C[C@](N)(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000867952623 1304039587 /nfs/dbraw/zinc/03/95/87/1304039587.db2.gz YPQKGRWAUURBGV-JFIYKMOQSA-N 0 1 343.358 2.580 20 5 EFBDMN C[C@](N)(C(=O)N[C@H]1C[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000867952626 1304040438 /nfs/dbraw/zinc/04/04/38/1304040438.db2.gz YPQKGRWAUURBGV-XYJFISCASA-N 0 1 343.358 2.580 20 5 EFBDMN Cc1ccccc1[C@@H](C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867965263 1304048973 /nfs/dbraw/zinc/04/89/73/1304048973.db2.gz ABUXLXMEYCVQLF-FZKQIMNGSA-N 0 1 327.384 2.955 20 5 EFBDMN C[C@](N)(C(=O)NC[C@H]1C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867981401 1304057148 /nfs/dbraw/zinc/05/71/48/1304057148.db2.gz PAZZRVLPVLJJIS-LSBZLQRGSA-N 0 1 339.395 2.689 20 5 EFBDMN Cc1ccc(COC(=O)Cc2n[nH]c3c2CCCC3)cc1[N+](=O)[O-] ZINC000869478416 1304801936 /nfs/dbraw/zinc/80/19/36/1304801936.db2.gz RAEGVLACVKCIHP-UHFFFAOYSA-N 0 1 329.356 2.791 20 5 EFBDMN CC1(Nc2ccc(F)cc2[N+](=O)[O-])CCN(C(=O)c2ccn[nH]2)CC1 ZINC001067244468 1314063790 /nfs/dbraw/zinc/06/37/90/1314063790.db2.gz XYLFLZNZAIFFSA-UHFFFAOYSA-N 0 1 347.350 2.564 20 5 EFBDMN CC1(NC(=O)c2ccoc2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045364162 1307280510 /nfs/dbraw/zinc/28/05/10/1307280510.db2.gz ZUJBSYLQXUHARF-UHFFFAOYSA-N 0 1 343.383 2.972 20 5 EFBDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000900099698 1307659685 /nfs/dbraw/zinc/65/96/85/1307659685.db2.gz TZMVVURTLYMFRW-MGPLVRAMSA-N 0 1 326.356 2.573 20 5 EFBDMN Cn1nccc1[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000800860089 1308564744 /nfs/dbraw/zinc/56/47/44/1308564744.db2.gz TVDWRLRXVSQVHV-ZDUSSCGKSA-N 0 1 340.387 2.515 20 5 EFBDMN Nc1ccc(Nc2ccc(CCN3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC001209936207 1314261338 /nfs/dbraw/zinc/26/13/38/1314261338.db2.gz YPNNJQULHNRNFD-UHFFFAOYSA-N 0 1 342.399 2.795 20 5 EFBDMN Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)c1C ZINC001046749898 1309255510 /nfs/dbraw/zinc/25/55/10/1309255510.db2.gz YKAQDVZDAJUJHN-MQMHXKEQSA-N 0 1 343.387 2.555 20 5 EFBDMN Nc1c2cc(Br)ccc2nn1-c1ccc(O)c([N+](=O)[O-])c1 ZINC001210392086 1314325316 /nfs/dbraw/zinc/32/53/16/1314325316.db2.gz AQDBEGSFVNPHNT-UHFFFAOYSA-N 0 1 349.144 2.984 20 5 EFBDMN CN1CCN(c2cccc(Nc3ccc(O)c([N+](=O)[O-])c3)c2)C1=O ZINC001210399092 1314326396 /nfs/dbraw/zinc/32/63/96/1314326396.db2.gz QWJQBCWITPHWMT-UHFFFAOYSA-N 0 1 328.328 2.916 20 5 EFBDMN COC(=O)c1nc2cc(Nc3ccc(O)c([N+](=O)[O-])c3)ccc2o1 ZINC001210399318 1314326488 /nfs/dbraw/zinc/32/64/88/1314326488.db2.gz PGYJWFQKOSERMT-UHFFFAOYSA-N 0 1 329.268 2.972 20 5 EFBDMN COC(=O)c1cccc(Nc2ccc(O)c([N+](=O)[O-])c2)c1C(=O)OC ZINC001210399617 1314326779 /nfs/dbraw/zinc/32/67/79/1314326779.db2.gz VUIZFXWPZSGHRT-UHFFFAOYSA-N 0 1 346.295 2.617 20 5 EFBDMN O=[N+]([O-])c1cc(Nc2ccc(S(=O)(=O)C3CC3)cc2)ccc1O ZINC001210398520 1314326953 /nfs/dbraw/zinc/32/69/53/1314326953.db2.gz HFOPEWLVQNMRGN-UHFFFAOYSA-N 0 1 334.353 2.980 20 5 EFBDMN O=[N+]([O-])c1cc(Nc2ccccc2CN2CCOCC2)ccc1O ZINC001210401734 1314327529 /nfs/dbraw/zinc/32/75/29/1314327529.db2.gz YNLYPGVSJIPRRM-UHFFFAOYSA-N 0 1 329.356 2.876 20 5 EFBDMN O=C([O-])CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000901419171 1310424819 /nfs/dbraw/zinc/42/48/19/1310424819.db2.gz MMNSFZHNIFEFRI-UHFFFAOYSA-N 0 1 344.314 2.883 20 5 EFBDMN CN1CCN(c2cncc(Nc3ccc(F)cc3[N+](=O)[O-])c2)CC1 ZINC001210956331 1314416251 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336.388 2.782 20 5 EFBDMN O=C(NCCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001158996570 1311431258 /nfs/dbraw/zinc/43/12/58/1311431258.db2.gz GLQHRCYDGDEELN-UHFFFAOYSA-N 0 1 329.400 2.643 20 5 EFBDMN CC(C)C(=O)NCCC1=CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159306589 1311491225 /nfs/dbraw/zinc/49/12/25/1311491225.db2.gz OHBONBQNYDITPT-UHFFFAOYSA-N 0 1 331.416 2.889 20 5 EFBDMN COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225491560 1311531035 /nfs/dbraw/zinc/53/10/35/1311531035.db2.gz QJLRPDXFTXSHQI-RWMBFGLXSA-N 0 1 343.376 2.524 20 5 EFBDMN O=c1c2ccccc2nc2n1CC[C@@H]2Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225489784 1311531229 /nfs/dbraw/zinc/53/12/29/1311531229.db2.gz BLFKASMZARTRRZ-AWEZNQCLSA-N 0 1 339.307 2.534 20 5 EFBDMN COC[C@H](C)OC[C@H](C)OC[C@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225491559 1311531289 /nfs/dbraw/zinc/53/12/89/1311531289.db2.gz QJLRPDXFTXSHQI-AVGNSLFASA-N 0 1 343.376 2.524 20 5 EFBDMN CC(C)(C)OC(=O)N1CC=C[C@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225490419 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Cc1cccc(N2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254596077 1315729230 /nfs/dbraw/zinc/72/92/30/1315729230.db2.gz BQGRJAYFQJZDGE-SFHVURJKSA-N 0 1 338.411 2.588 20 5 EFBDMN O=C([C@H]1CCCCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001254599955 1315729760 /nfs/dbraw/zinc/72/97/60/1315729760.db2.gz NEXUDBWLVWFHPI-QZTJIDSGSA-N 0 1 343.427 2.539 20 5 EFBDMN CN(C1CN(C(=O)OC(C)(C)C)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604870 1315729792 /nfs/dbraw/zinc/72/97/92/1315729792.db2.gz YDCGJEJCNUPNKR-HNNXBMFYSA-N 0 1 347.415 2.613 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCc3cnc(C4CC4)nc3C1)C2 ZINC001254605240 1315730301 /nfs/dbraw/zinc/73/03/01/1315730301.db2.gz AQFSRSUGRRIVJY-KRWDZBQOSA-N 0 1 336.395 2.788 20 5 EFBDMN CC(=O)NCc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1F ZINC001001501458 1315733603 /nfs/dbraw/zinc/73/36/03/1315733603.db2.gz GXUYXWJNXUFUFW-UHFFFAOYSA-N 0 1 331.347 2.660 20 5 EFBDMN CC1(C(=O)N2CC3(C2)CCN(Cc2ccccc2[N+](=O)[O-])CC3)CC1 ZINC001050529140 1315778499 /nfs/dbraw/zinc/77/84/99/1315778499.db2.gz VYCQGFRSJKAZDY-UHFFFAOYSA-N 0 1 343.427 2.819 20 5 EFBDMN CC1(C(=O)N2CC3(C2)CCN(Cc2cccc([N+](=O)[O-])c2)CC3)CC1 ZINC001050529300 1315778786 /nfs/dbraw/zinc/77/87/86/1315778786.db2.gz XGYHTJJPDOTFCX-UHFFFAOYSA-N 0 1 343.427 2.819 20 5 EFBDMN COc1cc(N2CCC(NCc3nc(C)co3)CC2)ccc1[N+](=O)[O-] ZINC001256082531 1315903354 /nfs/dbraw/zinc/90/33/54/1315903354.db2.gz HRRUHRPPTZKCBK-UHFFFAOYSA-N 0 1 346.387 2.658 20 5 EFBDMN COc1cc(N2CCC([N@H+]3CCOCC3(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256099564 1315904093 /nfs/dbraw/zinc/90/40/93/1315904093.db2.gz RPGXJQOXSOCOAV-UHFFFAOYSA-N 0 1 349.431 2.683 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1-c1nnc(CCN2C[C@@H](C)O[C@H](C)C2)o1 ZINC001258020349 1316112473 /nfs/dbraw/zinc/11/24/73/1316112473.db2.gz RPHIXOPAFSGLRS-CHWSQXEVSA-N 0 1 346.387 2.605 20 5 EFBDMN Cc1cc(-c2nnc(CCN3C[C@@H](C)O[C@@H](C)C3)o2)cc([N+](=O)[O-])c1 ZINC001258144643 1316124264 /nfs/dbraw/zinc/12/42/64/1316124264.db2.gz DSSAJKZWBWCSKF-BETUJISGSA-N 0 1 346.387 2.605 20 5 EFBDMN Cc1cc(-c2nnc(CCN3C[C@@H](C)O[C@H](C)C3)o2)cc([N+](=O)[O-])c1 ZINC001258144644 1316124320 /nfs/dbraw/zinc/12/43/20/1316124320.db2.gz DSSAJKZWBWCSKF-CHWSQXEVSA-N 0 1 346.387 2.605 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CC(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001261265722 1316399760 /nfs/dbraw/zinc/39/97/60/1316399760.db2.gz NVPDLYIJFBJRHC-UHFFFAOYSA-N 0 1 332.335 2.649 20 5 EFBDMN CN1CCCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001262652781 1316477446 /nfs/dbraw/zinc/47/74/46/1316477446.db2.gz PUDYGMHSSIPGLC-LLVKDONJSA-N 0 1 345.321 2.828 20 5 EFBDMN CC[C@H](CC(F)(F)F)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001263273309 1316525115 /nfs/dbraw/zinc/52/51/15/1316525115.db2.gz AARKHQXZSQCWMX-MFKMUULPSA-N 0 1 333.310 2.616 20 5 EFBDMN CC[C@@H](CC(F)(F)F)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001263273307 1316525261 /nfs/dbraw/zinc/52/52/61/1316525261.db2.gz AARKHQXZSQCWMX-GWCFXTLKSA-N 0 1 333.310 2.616 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc4c[nH]nc43)CC2)cc1 ZINC001319675140 1328946997 /nfs/dbraw/zinc/94/69/97/1328946997.db2.gz DFIVWEKBHAEQIF-UHFFFAOYSA-N 0 1 337.383 2.793 20 5 EFBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC001320463646 1329137731 /nfs/dbraw/zinc/13/77/31/1329137731.db2.gz XQBDOPZNKJIXLY-UHFFFAOYSA-N 0 1 343.387 2.688 20 5 EFBDMN Cc1nccn1-c1ccncc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001321818485 1329410251 /nfs/dbraw/zinc/41/02/51/1329410251.db2.gz IVFLHNNHRKKLRG-UHFFFAOYSA-N 0 1 337.339 2.665 20 5 EFBDMN CC(C)(C)N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC001318076372 1328489362 /nfs/dbraw/zinc/48/93/62/1328489362.db2.gz ZYOZPSZZSPJNMJ-UHFFFAOYSA-N 0 1 330.388 2.632 20 5 EFBDMN Cc1cncc([N+](=O)[O-])c1NC[C@@H](C)N1CCc2sccc2C1 ZINC001322405048 1329456219 /nfs/dbraw/zinc/45/62/19/1329456219.db2.gz IUWIBNKLZYYDHS-GFCCVEGCSA-N 0 1 332.429 2.640 20 5 EFBDMN CCN(Cc1ccccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001323716276 1329564388 /nfs/dbraw/zinc/56/43/88/1329564388.db2.gz XGXWBAGWXWBDMH-OAHLLOKOSA-N 0 1 348.374 2.996 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CCCCc2cn[nH]n2)n1 ZINC001329658991 1330726682 /nfs/dbraw/zinc/72/66/82/1330726682.db2.gz BXWYZBHKAHRERH-UHFFFAOYSA-N 0 1 342.359 2.945 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@@H]4OCCC[C@@H]4C3)c2)cc1 ZINC001333605293 1331179651 /nfs/dbraw/zinc/17/96/51/1331179651.db2.gz KXRKYROSPXDTQZ-QAPCUYQASA-N 0 1 342.399 2.917 20 5 EFBDMN C[C@H](Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C ZINC001336725206 1331496909 /nfs/dbraw/zinc/49/69/09/1331496909.db2.gz CSLKFABRYHJAKR-IINYFYTJSA-N 0 1 346.353 2.660 20 5 EFBDMN C[N@H+]1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001338292458 1331686195 /nfs/dbraw/zinc/68/61/95/1331686195.db2.gz BCAMABQASLBXNS-JTQLQIEISA-N 0 1 345.321 2.828 20 5 EFBDMN CN1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001338292458 1331686200 /nfs/dbraw/zinc/68/62/00/1331686200.db2.gz BCAMABQASLBXNS-JTQLQIEISA-N 0 1 345.321 2.828 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2C)cc1Cl ZINC001338295825 1331686484 /nfs/dbraw/zinc/68/64/84/1331686484.db2.gz VCWITOLZQIELMC-LLVKDONJSA-N 0 1 325.796 2.771 20 5 EFBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3CC=CCC3)c2)CC1 ZINC001338334945 1331694091 /nfs/dbraw/zinc/69/40/91/1331694091.db2.gz HOOPPJJIORKQNF-CQSZACIVSA-N 0 1 344.415 2.641 20 5 EFBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C3CC(C)(C)C3)c2)CC1 ZINC001338335882 1331694822 /nfs/dbraw/zinc/69/48/22/1331694822.db2.gz NEYOIJCUORAKKP-UHFFFAOYSA-N 0 1 346.431 2.721 20 5 EFBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CC(C)(C)C)c2)CC1 ZINC001339185234 1331810849 /nfs/dbraw/zinc/81/08/49/1331810849.db2.gz QBIIVSRSFAGHNK-UHFFFAOYSA-N 0 1 334.420 2.721 20 5 EFBDMN Cc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc2cncn21 ZINC001342117719 1332306560 /nfs/dbraw/zinc/30/65/60/1332306560.db2.gz CVSCRJRBPPYOMD-UHFFFAOYSA-N 0 1 336.351 2.749 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NC)n[nH]1 ZINC001343635605 1332364663 /nfs/dbraw/zinc/36/46/63/1332364663.db2.gz RRDNKPPUOHZTKW-NXEZZACHSA-N 0 1 346.391 2.759 20 5 EFBDMN COc1ccc(NC(=O)N2CCN(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001344747620 1332479649 /nfs/dbraw/zinc/47/96/49/1332479649.db2.gz BMIHKSCYFXCGQO-UHFFFAOYSA-N 0 1 336.392 2.551 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2C=CCCC2)c1 ZINC001345392042 1332536389 /nfs/dbraw/zinc/53/63/89/1332536389.db2.gz XFEZTWBNQYUQDV-MRVPVSSYSA-N 0 1 334.756 2.774 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2nc(C(C)C)n[nH]2)c1F ZINC001347391843 1332739831 /nfs/dbraw/zinc/73/98/31/1332739831.db2.gz OPGLDUCEVIEWFX-UHFFFAOYSA-N 0 1 325.275 2.675 20 5 EFBDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001348052967 1332796051 /nfs/dbraw/zinc/79/60/51/1332796051.db2.gz VHPGUKUZHCKILY-MEBBXXQBSA-N 0 1 326.356 2.526 20 5 EFBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001349568445 1332970793 /nfs/dbraw/zinc/97/07/93/1332970793.db2.gz HVALRBCBLZCMLV-UHFFFAOYSA-N 0 1 348.378 2.956 20 5 EFBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1cc(C2CC2)[nH]n1 ZINC000848012319 1334149345 /nfs/dbraw/zinc/14/93/45/1334149345.db2.gz LIZALJHOSACFHH-UHFFFAOYSA-N 0 1 340.339 2.963 20 5 EFBDMN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC001354485463 1334326424 /nfs/dbraw/zinc/32/64/24/1334326424.db2.gz QRDKONQZRUJCIE-CYBMUJFWSA-N 0 1 329.194 2.872 20 5 EFBDMN CO[C@@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@H]1C ZINC000848488999 1334745432 /nfs/dbraw/zinc/74/54/32/1334745432.db2.gz PHGVKLDCLBMCLF-SUMWQHHRSA-N 0 1 330.388 2.773 20 5 EFBDMN COC[C@@]1(C)CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848491702 1334748212 /nfs/dbraw/zinc/74/82/12/1334748212.db2.gz YPOBMRKCUODVCX-KRWDZBQOSA-N 0 1 330.388 2.774 20 5 EFBDMN C[C@@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557094 1334794018 /nfs/dbraw/zinc/79/40/18/1334794018.db2.gz CKWVAPUUYJQZCB-BDJLRTHQSA-N 0 1 340.383 2.781 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000848563441 1334796317 /nfs/dbraw/zinc/79/63/17/1334796317.db2.gz VKCKFLDUQWWTOP-LBPRGKRZSA-N 0 1 337.767 2.508 20 5 EFBDMN O=[N+]([O-])c1ccc(CNCc2n[nH]c([C@@H]3CCCO3)n2)cc1Cl ZINC000848924128 1334989526 /nfs/dbraw/zinc/98/95/26/1334989526.db2.gz OGNPPLDCXPWTKJ-LBPRGKRZSA-N 0 1 337.767 2.508 20 5 EFBDMN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCNCC1 ZINC000178344774 1424766071 /nfs/dbraw/zinc/76/60/71/1424766071.db2.gz LLSFBPYHOYQQMK-UHFFFAOYSA-N 0 1 343.408 2.791 20 5 EFBDMN O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738370202 1425012481 /nfs/dbraw/zinc/01/24/81/1425012481.db2.gz RLSIDMANIVKGPA-HYXAFXHYSA-N 0 1 336.355 2.578 20 5 EFBDMN C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824604356 1443644280 /nfs/dbraw/zinc/64/42/80/1443644280.db2.gz BNAKZXTUVOVHNE-GFCCVEGCSA-N 0 1 338.371 2.668 20 5 EFBDMN CN(Cc1ccccc1[N+](=O)[O-])CC1CN(C(=O)OC(C)(C)C)C1 ZINC000788008948 713469421 /nfs/dbraw/zinc/46/94/21/713469421.db2.gz JFBBHNXQQQEVPR-UHFFFAOYSA-N 0 1 335.404 2.894 20 5 EFBDMN COc1c(O)ccc(CNCCOc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000892482282 717908676 /nfs/dbraw/zinc/90/86/76/717908676.db2.gz QRVDBJITFORVLV-UHFFFAOYSA-N 0 1 332.356 2.786 20 5 EFBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)nc1 ZINC000160829266 714492443 /nfs/dbraw/zinc/49/24/43/714492443.db2.gz CBUCSTXWKROPOX-UHFFFAOYSA-N 0 1 345.739 2.892 20 5 EFBDMN CC1(C)CC(C(=O)N[C@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C2)C1 ZINC001022037638 714682156 /nfs/dbraw/zinc/68/21/56/714682156.db2.gz WDMVUTFHFUVEAP-BETUJISGSA-N 0 1 337.445 2.829 20 5 EFBDMN COCc1ccccc1CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892505125 718013344 /nfs/dbraw/zinc/01/33/44/718013344.db2.gz LVZMWPOAWONSKI-UHFFFAOYSA-N 0 1 332.356 2.745 20 5 EFBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)C1CC2(CCC2)C1 ZINC001022567809 715218211 /nfs/dbraw/zinc/21/82/11/715218211.db2.gz DNMZBGUYICCWAF-OKILXGFUSA-N 0 1 349.456 2.973 20 5 EFBDMN CN(C)Cc1ccnc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000934158504 715232166 /nfs/dbraw/zinc/23/21/66/715232166.db2.gz SPLRBZJJUKRZIN-CVEARBPZSA-N 0 1 340.383 2.794 20 5 EFBDMN CN(C)Cc1ccnc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000934158505 715232263 /nfs/dbraw/zinc/23/22/63/715232263.db2.gz SPLRBZJJUKRZIN-HOTGVXAUSA-N 0 1 340.383 2.794 20 5 EFBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)C1CC2(CC2)C1 ZINC001022686972 715306928 /nfs/dbraw/zinc/30/69/28/715306928.db2.gz VIAHUJYYNJFOIO-BETUJISGSA-N 0 1 335.429 2.583 20 5 EFBDMN CCN(CCNc1ncc([N+](=O)[O-])cc1OC)CCC(F)(F)F ZINC000893478148 715908203 /nfs/dbraw/zinc/90/82/03/715908203.db2.gz DZJWLIPLPDSXDG-UHFFFAOYSA-N 0 1 336.314 2.685 20 5 EFBDMN Cc1cc(N2CCN(CCc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000894841382 722887487 /nfs/dbraw/zinc/88/74/87/722887487.db2.gz VOSIDMJYEHQNFW-UHFFFAOYSA-N 0 1 326.400 2.663 20 5 EFBDMN CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](N3CC=CC3)C2)cc1C ZINC000892679851 718591459 /nfs/dbraw/zinc/59/14/59/718591459.db2.gz RXEOCOBGLCZADZ-CQSZACIVSA-N 0 1 345.399 2.530 20 5 EFBDMN COC(=O)c1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC000892712955 718921167 /nfs/dbraw/zinc/92/11/67/718921167.db2.gz GAVASVVIJKDGHG-UHFFFAOYSA-N 0 1 344.367 2.988 20 5 EFBDMN C/C=C(\C)C(=O)N1CC2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981698378 718954295 /nfs/dbraw/zinc/95/42/95/718954295.db2.gz BWESNNSPWSNFSO-CRKCGEKBSA-N 0 1 343.427 2.985 20 5 EFBDMN Cc1ccc(-c2ccc(N3C[C@H](C)N(C)C[C@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164634119 719222839 /nfs/dbraw/zinc/22/28/39/719222839.db2.gz FTSNKOJEEPFOIO-UONOGXRCSA-N 0 1 341.415 2.889 20 5 EFBDMN C[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@@H](C)CN1C ZINC001164633919 719244090 /nfs/dbraw/zinc/24/40/90/719244090.db2.gz LMHYIQJBACWKCH-OLZOCXBDSA-N 0 1 327.388 2.581 20 5 EFBDMN C[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@H](C)CN1C ZINC001164633917 719244350 /nfs/dbraw/zinc/24/43/50/719244350.db2.gz LMHYIQJBACWKCH-CHWSQXEVSA-N 0 1 327.388 2.581 20 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Cc1ccc(-c2nnc([C@@H](C)OC(=O)[C@@H]3CC3[N+](=O)[O-])o2)cc1C ZINC000840670602 721865137 /nfs/dbraw/zinc/86/51/37/721865137.db2.gz JFDZFOZYSFWSKN-RAIGVLPGSA-N 0 1 331.328 2.623 20 5 EFBDMN CS(=O)(=O)C1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000894426595 722733494 /nfs/dbraw/zinc/73/34/94/722733494.db2.gz SXZMPAKPBBBLKT-UHFFFAOYSA-N 0 1 346.836 2.695 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H](CO)CC(F)F ZINC000894566489 722784504 /nfs/dbraw/zinc/78/45/04/722784504.db2.gz KWBSWXCQJAVOME-SECBINFHSA-N 0 1 328.237 2.719 20 5 EFBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC(N2CN=NC2=O)CC1 ZINC000894607927 722791693 /nfs/dbraw/zinc/79/16/93/722791693.db2.gz AYNCTILYXGOVSN-LCYFTJDESA-N 0 1 343.387 2.632 20 5 EFBDMN COc1c(O)ccc(CN(C)[C@@H]2C[C@@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894754625 722836921 /nfs/dbraw/zinc/83/69/21/722836921.db2.gz YVLXMCUIWBAGLJ-ZIAGYGMSSA-N 0 1 336.388 2.698 20 5 EFBDMN COc1c(O)ccc(CN(C)[C@@H]2C[C@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894754623 722836946 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Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)nc2)cc1C ZINC000152860384 726279348 /nfs/dbraw/zinc/27/93/48/726279348.db2.gz PXUBCCHANOWTQA-UHFFFAOYSA-N 0 1 325.321 2.547 20 5 EFBDMN Cc1[nH]nc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000732146795 726998507 /nfs/dbraw/zinc/99/85/07/726998507.db2.gz LGROWQZHEBVSDZ-NSODJVPESA-N 0 1 344.371 2.617 20 5 EFBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732562180 727159563 /nfs/dbraw/zinc/15/95/63/727159563.db2.gz YIRDIQRHAHAJTH-SSDOTTSWSA-N 0 1 333.735 2.944 20 5 EFBDMN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC12CCCCC2 ZINC000908571569 727218194 /nfs/dbraw/zinc/21/81/94/727218194.db2.gz YBZYJJPPLHGBGA-UHFFFAOYSA-N 0 1 335.379 2.824 20 5 EFBDMN CNc1c(C(=O)N2CCN(C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000908574294 727219202 /nfs/dbraw/zinc/21/92/02/727219202.db2.gz ZSFPEVRMYAZNQC-UHFFFAOYSA-N 0 1 346.431 2.727 20 5 EFBDMN CC[N@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)C1 ZINC000910265539 727424925 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2.750 20 5 EFBDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001589606263 949275992 /nfs/dbraw/zinc/27/59/92/949275992.db2.gz HFLABYFQCNIYAN-MRXNPFEDSA-N 0 1 333.344 2.813 20 5 EFBDMN O=C([O-])CC[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001595019249 951309621 /nfs/dbraw/zinc/30/96/21/951309621.db2.gz OPFLNVVUWMAVKP-SNVBAGLBSA-N 0 1 328.315 2.950 20 5 EFBDMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001595019249 951309633 /nfs/dbraw/zinc/30/96/33/951309633.db2.gz OPFLNVVUWMAVKP-SNVBAGLBSA-N 0 1 328.315 2.950 20 5 EFBDMN O=C([O-])CC[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001595019248 951310590 /nfs/dbraw/zinc/31/05/90/951310590.db2.gz OPFLNVVUWMAVKP-JTQLQIEISA-N 0 1 328.315 2.950 20 5 EFBDMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001595019248 951310604 /nfs/dbraw/zinc/31/06/04/951310604.db2.gz OPFLNVVUWMAVKP-JTQLQIEISA-N 0 1 328.315 2.950 20 5 EFBDMN CC[C@H](C(=O)[O-])[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001589445988 954761441 /nfs/dbraw/zinc/76/14/41/954761441.db2.gz BIAKXZVMKQCFGI-LLVKDONJSA-N 0 1 343.177 2.579 20 5 EFBDMN CC[C@H](C(=O)[O-])[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001589445988 954761456 /nfs/dbraw/zinc/76/14/56/954761456.db2.gz BIAKXZVMKQCFGI-LLVKDONJSA-N 0 1 343.177 2.579 20 5 EFBDMN O=C([O-])[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001594951902 954961585 /nfs/dbraw/zinc/96/15/85/954961585.db2.gz SVEIWTGJNQLFJG-OAHLLOKOSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001594951902 954961598 /nfs/dbraw/zinc/96/15/98/954961598.db2.gz SVEIWTGJNQLFJG-OAHLLOKOSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903697047 956886932 /nfs/dbraw/zinc/88/69/32/956886932.db2.gz GIFKJOXALILNFQ-LBPRGKRZSA-N 0 1 343.177 2.796 20 5 EFBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000300487686 963013705 /nfs/dbraw/zinc/01/37/05/963013705.db2.gz NBIGGWSEUHXJRV-SNVBAGLBSA-N 0 1 343.177 2.796 20 5 EFBDMN C[N@@H+](CCCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000844213267 979371617 /nfs/dbraw/zinc/37/16/17/979371617.db2.gz VWEQBBKAKXCXTL-UITAMQMPSA-N 0 1 333.388 2.979 20 5 EFBDMN CC[C@@](C)(C(=O)[O-])[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000851706564 979573024 /nfs/dbraw/zinc/57/30/24/979573024.db2.gz DEPJCAULFKGXGM-WBVHZDCISA-N 0 1 336.388 2.594 20 5 EFBDMN C[C@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000902564396 980933836 /nfs/dbraw/zinc/93/38/36/980933836.db2.gz ZKIYBZUAXPCAST-ZDUSSCGKSA-N 0 1 335.404 2.575 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903630918 981007248 /nfs/dbraw/zinc/00/72/48/981007248.db2.gz GPSBOJROXFHHRC-CHWSQXEVSA-N 0 1 336.388 2.925 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000903700407 981015220 /nfs/dbraw/zinc/01/52/20/981015220.db2.gz AQMFZCVFINEPML-RKDXNWHRSA-N 0 1 343.177 2.510 20 5 EFBDMN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000903928779 981049084 /nfs/dbraw/zinc/04/90/84/981049084.db2.gz QXMSVQIOMZZEMQ-KRWDZBQOSA-N 0 1 342.351 2.658 20 5 EFBDMN C[C@]12C[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903945824 981071235 /nfs/dbraw/zinc/07/12/35/981071235.db2.gz XAEQASUIILQQTK-ZJQCNOOHSA-N 0 1 328.368 2.937 20 5 EFBDMN COc1cccc([C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001599687781 991015563 /nfs/dbraw/zinc/01/55/63/991015563.db2.gz CCPVPARWBDMXNK-HNNXBMFYSA-N 0 1 334.303 2.658 20 5 EFBDMN CC(C)[C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001591088075 991617221 /nfs/dbraw/zinc/61/72/21/991617221.db2.gz XHFOZIQGPTVHAA-AWEZNQCLSA-N 0 1 336.388 2.926 20 5 EFBDMN C[N@H+](CCOc1cccc(C(=O)[O-])c1)Cc1ccccc1[N+](=O)[O-] ZINC001598499244 992408840 /nfs/dbraw/zinc/40/88/40/992408840.db2.gz GIISSAQUJJNITF-UHFFFAOYSA-N 0 1 330.340 2.804 20 5 EFBDMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1)Cc1ccccc1[N+](=O)[O-] ZINC001598499244 992408841 /nfs/dbraw/zinc/40/88/41/992408841.db2.gz GIISSAQUJJNITF-UHFFFAOYSA-N 0 1 330.340 2.804 20 5 EFBDMN C[N@@H+](CCSc1ncc(C(=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC001598500538 992429863 /nfs/dbraw/zinc/42/98/63/992429863.db2.gz HJHMFPLCVOZVSN-UHFFFAOYSA-N 0 1 347.396 2.912 20 5 EFBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1OCC(=O)[O-] ZINC001598501424 992439226 /nfs/dbraw/zinc/43/92/26/992439226.db2.gz GRAVDDTZEABTBE-UHFFFAOYSA-N 0 1 344.367 2.733 20 5 EFBDMN C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598508687 992539281 /nfs/dbraw/zinc/53/92/81/992539281.db2.gz WKTJVKQOAGILFE-DKTWLAJQSA-N 0 1 343.177 2.652 20 5 EFBDMN C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598508687 992539286 /nfs/dbraw/zinc/53/92/86/992539286.db2.gz WKTJVKQOAGILFE-DKTWLAJQSA-N 0 1 343.177 2.652 20 5 EFBDMN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001591600734 992832361 /nfs/dbraw/zinc/83/23/61/992832361.db2.gz UINMXFXGIHIYGO-CHWSQXEVSA-N 0 1 328.315 2.771 20 5 EFBDMN C[C@@]([NH2+]Cc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593305018 994758344 /nfs/dbraw/zinc/75/83/44/994758344.db2.gz TZIQXDOKQXZHHM-INIZCTEOSA-N 0 1 345.311 2.593 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(Cc2c[nH]nn2)CCCCC1 ZINC001577348343 1089858638 /nfs/dbraw/zinc/85/86/38/1089858638.db2.gz MYAFMQJJHZPFGC-UHFFFAOYSA-N 0 1 343.387 2.697 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(Cc2cnn[nH]2)CCCCC1 ZINC001577348343 1089858653 /nfs/dbraw/zinc/85/86/53/1089858653.db2.gz MYAFMQJJHZPFGC-UHFFFAOYSA-N 0 1 343.387 2.697 20 5 EFBDMN CCC[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001577384215 1089896779 /nfs/dbraw/zinc/89/67/79/1089896779.db2.gz WRXRWQVANQMDPS-NSHDSACASA-N 0 1 325.796 2.771 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](c1c[nH]nn1)C(C)(C)C ZINC001577406300 1089923271 /nfs/dbraw/zinc/92/32/71/1089923271.db2.gz RVTWVCATRXDSFM-AWEZNQCLSA-N 0 1 331.376 2.847 20 5 EFBDMN C[C@H](NCc1cccc(-c2nn[nH]n2)c1F)c1ccc([N+](=O)[O-])cc1 ZINC001580441991 1090900408 /nfs/dbraw/zinc/90/04/08/1090900408.db2.gz XZTQYHPNQDXNHW-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN Nc1ccc(F)c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC001580447925 1090903503 /nfs/dbraw/zinc/90/35/03/1090903503.db2.gz QBVNBLVSHTVNIY-UHFFFAOYSA-N 0 1 341.302 2.959 20 5 EFBDMN Nc1ccnc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC001580462585 1090908998 /nfs/dbraw/zinc/90/89/98/1090908998.db2.gz LOGBQJSEEXLJJU-UHFFFAOYSA-N 0 1 340.261 2.521 20 5 EFBDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001589103784 1093031943 /nfs/dbraw/zinc/03/19/43/1093031943.db2.gz WSOZSRFQFIXSPI-ZDUSSCGKSA-N 0 1 330.392 2.643 20 5 EFBDMN Cc1cc(C)c([C@H](C)n2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)c(C)c1 ZINC001591948041 1093928279 /nfs/dbraw/zinc/92/82/79/1093928279.db2.gz XZOBDSRPOOCJEK-NSHDSACASA-N 0 1 327.348 2.506 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CSc1cccc(-c2nn[nH]n2)c1 ZINC001593481329 1094325545 /nfs/dbraw/zinc/32/55/45/1094325545.db2.gz GRKACIQFRNEFTC-UHFFFAOYSA-N 0 1 329.341 2.773 20 5 EFBDMN Cc1c(NC(=O)CC[N@H+]2CCCCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001600031657 1094730406 /nfs/dbraw/zinc/73/04/06/1094730406.db2.gz AIAYMQQNFOULSN-OAHLLOKOSA-N 0 1 349.387 2.561 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2ccc(NCCN3CCSCC3)nn2)c1 ZINC001167834635 1095303034 /nfs/dbraw/zinc/30/30/34/1095303034.db2.gz LZDRTFWAGLUSLL-UHFFFAOYSA-N 0 1 345.428 2.513 20 5 EFBDMN O=[N+]([O-])c1cc(F)cc2ccc(NCCN3CCSCC3)nc21 ZINC001167837953 1095341362 /nfs/dbraw/zinc/34/13/62/1095341362.db2.gz SPWOAIKSNRPEPZ-UHFFFAOYSA-N 0 1 336.392 2.743 20 5 EFBDMN Cc1noc(C[N@@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001600812987 1095349721 /nfs/dbraw/zinc/34/97/21/1095349721.db2.gz TVYHLBGHIGYHLE-CHWSQXEVSA-N 0 1 337.376 2.747 20 5 EFBDMN Cc1noc(C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001600812987 1095349733 /nfs/dbraw/zinc/34/97/33/1095349733.db2.gz TVYHLBGHIGYHLE-CHWSQXEVSA-N 0 1 337.376 2.747 20 5 EFBDMN NC(CCC(F)(F)F)=[NH+]OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001601177841 1095544797 /nfs/dbraw/zinc/54/47/97/1095544797.db2.gz UDUWLUCYMXXJDH-UHFFFAOYSA-N 0 1 335.238 2.634 20 5 EFBDMN Cc1ncc(C(=O)N(C)CCCN(C)c2ccc([N+](=O)[O-])c(C)c2)[nH]1 ZINC001112045396 1095746271 /nfs/dbraw/zinc/74/62/71/1095746271.db2.gz SVXKSWVLMLPCDN-UHFFFAOYSA-N 0 1 345.403 2.533 20 5 EFBDMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC001601691849 1095825950 /nfs/dbraw/zinc/82/59/50/1095825950.db2.gz QIKRYVVFHDEBAC-MRXNPFEDSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC001601691849 1095825966 /nfs/dbraw/zinc/82/59/66/1095825966.db2.gz QIKRYVVFHDEBAC-MRXNPFEDSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001601706894 1095853607 /nfs/dbraw/zinc/85/36/07/1095853607.db2.gz GMRALYUOAZEOOK-LBPRGKRZSA-N 0 1 336.241 2.573 20 5 EFBDMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001601706894 1095853622 /nfs/dbraw/zinc/85/36/22/1095853622.db2.gz GMRALYUOAZEOOK-LBPRGKRZSA-N 0 1 336.241 2.573 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001602083798 1096052982 /nfs/dbraw/zinc/05/29/82/1096052982.db2.gz TUONOAMKABXZPR-RDTXWAMCSA-N 0 1 346.383 2.679 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC001602083514 1096053727 /nfs/dbraw/zinc/05/37/27/1096053727.db2.gz PUHPZWMVDXVKLB-UHFFFAOYSA-N 0 1 334.372 2.824 20 5 EFBDMN O=C([O-])Cc1ccc(NC[C@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC001602136001 1096084411 /nfs/dbraw/zinc/08/44/11/1096084411.db2.gz DLVOHXQTIYPFFB-CQSZACIVSA-N 0 1 333.388 2.651 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC001602404150 1096223805 /nfs/dbraw/zinc/22/38/05/1096223805.db2.gz RVRQTTCXRNVWHW-UHFFFAOYSA-N 0 1 334.372 2.686 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC001602985431 1096417170 /nfs/dbraw/zinc/41/71/70/1096417170.db2.gz YJZSHSZGVAYGMX-WDBUWWRISA-N 0 1 336.388 2.808 20 5 EFBDMN CC(C)[N@@H+](CCC(=O)[O-])Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001603879998 1096654382 /nfs/dbraw/zinc/65/43/82/1096654382.db2.gz XNZVTJOMINWVSA-UHFFFAOYSA-N 0 1 332.360 2.601 20 5 EFBDMN C[C@@H](C[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1)C(=O)[O-] ZINC001604165725 1096758773 /nfs/dbraw/zinc/75/87/73/1096758773.db2.gz MIUUMLUEFFFWFR-LBPRGKRZSA-N 0 1 344.371 2.601 20 5 EFBDMN CC(C)n1cc([C@@H](C)[NH2+]Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1 ZINC001604342860 1096821485 /nfs/dbraw/zinc/82/14/85/1096821485.db2.gz UCZXWYTWYPQWSX-LLVKDONJSA-N 0 1 332.360 2.921 20 5 EFBDMN C[C@@H]1C[C@@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001604677424 1096930029 /nfs/dbraw/zinc/93/00/29/1096930029.db2.gz ROXDQICIXAUIHR-RKDXNWHRSA-N 0 1 339.779 2.984 20 5 EFBDMN C[C@H]1CCC[N@H+](C(C)(C)CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001604736762 1096943902 /nfs/dbraw/zinc/94/39/02/1096943902.db2.gz WXIMCAVBJWONJL-NSHDSACASA-N 0 1 336.392 2.610 20 5 EFBDMN C[N@H+]1C[C@@H]2CC[C@H](Nc3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])[C@@H]2C1 ZINC001606209017 1097352342 /nfs/dbraw/zinc/35/23/42/1097352342.db2.gz OYSYHSSRMQGSET-KDDOJWQBSA-N 0 1 339.779 2.699 20 5 EFBDMN Cc1cccc(F)c1C[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001607855499 1097755545 /nfs/dbraw/zinc/75/55/45/1097755545.db2.gz ZTQNFKJFCVDGNY-UHFFFAOYSA-N 0 1 348.330 2.796 20 5 EFBDMN O=C([O-])[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC001608550373 1097950359 /nfs/dbraw/zinc/95/03/59/1097950359.db2.gz LZIRMGWWDRMYSW-CQSZACIVSA-N 0 1 336.731 2.869 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC001608758902 1098010931 /nfs/dbraw/zinc/01/09/31/1098010931.db2.gz MAQXHFFSEUVZIF-ZDUSSCGKSA-N 0 1 346.339 2.641 20 5 EFBDMN O=C([O-])COc1ccc(C[N@@H+](C2CC2)C2CCCC2)cc1[N+](=O)[O-] ZINC001608758945 1098011427 /nfs/dbraw/zinc/01/14/27/1098011427.db2.gz OALOCNONGYYMKA-UHFFFAOYSA-N 0 1 334.372 2.965 20 5 EFBDMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC001608824851 1098034244 /nfs/dbraw/zinc/03/42/44/1098034244.db2.gz DPDATKMFYHSBDN-HIFRSBDPSA-N 0 1 326.299 2.702 20 5 EFBDMN O=C([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC001608977600 1098096232 /nfs/dbraw/zinc/09/62/32/1098096232.db2.gz ROWWQEDIYHYEJF-ZDUSSCGKSA-N 0 1 334.376 2.507 20 5 EFBDMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC001609811644 1098465641 /nfs/dbraw/zinc/46/56/41/1098465641.db2.gz RGSKUUHBOMLDHF-KRWDZBQOSA-N 0 1 344.371 2.603 20 5 EFBDMN C[C@@H]1CCC[N@H+](C(C)(C)CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001609858175 1098478910 /nfs/dbraw/zinc/47/89/10/1098478910.db2.gz MEXNJFGBTZLOHR-LLVKDONJSA-N 0 1 336.392 2.610 20 5 EFBDMN C[C@@H]1C[N@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCC1(F)F ZINC001609869068 1098480934 /nfs/dbraw/zinc/48/09/34/1098480934.db2.gz HNOGACWZRCVBCC-SNVBAGLBSA-N 0 1 344.314 2.535 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCC1(F)F ZINC001609869068 1098480939 /nfs/dbraw/zinc/48/09/39/1098480939.db2.gz HNOGACWZRCVBCC-SNVBAGLBSA-N 0 1 344.314 2.535 20 5 EFBDMN C[C@H]1Cc2[nH+]cn(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])c2C[C@@H]1C ZINC001609876757 1098482308 /nfs/dbraw/zinc/48/23/08/1098482308.db2.gz AHEQBLRAOJVEJX-QWRGUYRKSA-N 0 1 329.356 2.909 20 5 EFBDMN CCn1ccc(C[N@@H+](C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001610084890 1098543882 /nfs/dbraw/zinc/54/38/82/1098543882.db2.gz MGXRIJGRVFSJNV-UHFFFAOYSA-N 0 1 347.371 2.512 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NCC[NH+]2Cc3ccccc3C2)c1 ZINC001610840790 1098926462 /nfs/dbraw/zinc/92/64/62/1098926462.db2.gz CFRMKMQGLPJYNL-UHFFFAOYSA-N 0 1 327.340 2.721 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC001610840058 1098927504 /nfs/dbraw/zinc/92/75/04/1098927504.db2.gz IVVRVESDCGCMMR-WBVHZDCISA-N 0 1 342.351 2.601 20 5 EFBDMN C[C@@H](Cn1cccn1)NCc1ccc([N+](=O)[O-])cc1Br ZINC000049075963 1100624366 /nfs/dbraw/zinc/62/43/66/1100624366.db2.gz DECAQVRKAHDLBI-JTQLQIEISA-N 0 1 339.193 2.732 20 5 EFBDMN Cc1nc([C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000840339680 1101014224 /nfs/dbraw/zinc/01/42/24/1101014224.db2.gz AUKJKUBDUQKSTP-LURJTMIESA-N 0 1 344.249 2.958 20 5 EFBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000840463728 1101082831 /nfs/dbraw/zinc/08/28/31/1101082831.db2.gz KOYVDGJSUPXTJF-UIISKDMLSA-N 0 1 337.685 2.596 20 5 EFBDMN CCOc1cc(Br)c(F)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840460579 1101083436 /nfs/dbraw/zinc/08/34/36/1101083436.db2.gz BMQZUHLNGWYWNE-LHLIQPBNSA-N 0 1 347.140 2.591 20 5 EFBDMN Cc1ncc(C(=O)N(CCN(C)c2ccccc2[N+](=O)[O-])C(C)C)[nH]1 ZINC001125421023 1102832190 /nfs/dbraw/zinc/83/21/90/1102832190.db2.gz FXLPCRLJHCJKDJ-UHFFFAOYSA-N 0 1 345.403 2.613 20 5 EFBDMN CC(C)NCc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000905803270 1103620723 /nfs/dbraw/zinc/62/07/23/1103620723.db2.gz DJBNQXLFLBIFMZ-UHFFFAOYSA-N 0 1 343.309 2.751 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000905986397 1103795250 /nfs/dbraw/zinc/79/52/50/1103795250.db2.gz XZUHGABWDNWNAT-ZWNONLRRSA-N 0 1 331.416 2.638 20 5 EFBDMN CC(C)c1cc(C(=O)N(C)CCN(C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001105567487 1105945765 /nfs/dbraw/zinc/94/57/65/1105945765.db2.gz BSDMPEPBQLQGAU-UHFFFAOYSA-N 0 1 345.403 2.650 20 5 EFBDMN CC(C)c1cc(C(=O)N(C)CCN(C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC001105567739 1105946095 /nfs/dbraw/zinc/94/60/95/1105946095.db2.gz RBCGOKXUQTUKTI-UHFFFAOYSA-N 0 1 345.403 2.650 20 5 EFBDMN COCCCCN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000842173941 1109099941 /nfs/dbraw/zinc/09/99/41/1109099941.db2.gz ZCKYAOSNHWSJCD-LLVKDONJSA-N 0 1 343.811 2.934 20 5 EFBDMN Cc1cccc(CONC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000898932349 1109141706 /nfs/dbraw/zinc/14/17/06/1109141706.db2.gz LELCLEQEWSOEPX-NSHDSACASA-N 0 1 333.319 2.789 20 5 EFBDMN CCc1cc(C(=O)N(CC)CCNc2ccc(C)cc2[N+](=O)[O-])n[nH]1 ZINC001106684099 1111719228 /nfs/dbraw/zinc/71/92/28/1111719228.db2.gz CSMVXICURNBHMF-UHFFFAOYSA-N 0 1 345.403 2.763 20 5 EFBDMN CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)c1cnc(C)[nH]1 ZINC001106705503 1111738272 /nfs/dbraw/zinc/73/82/72/1111738272.db2.gz DBFJSEIEYVOMFO-UHFFFAOYSA-N 0 1 331.376 2.509 20 5 EFBDMN O=C(Oc1ccccc1C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000916860958 1111993003 /nfs/dbraw/zinc/99/30/03/1111993003.db2.gz NXCHYMDFYHXVQR-UHFFFAOYSA-N 0 1 343.339 2.768 20 5 EFBDMN CCc1[nH]nc(C(=O)N(Cc2ccco2)Cc2ccco2)c1[N+](=O)[O-] ZINC000171370776 529465605 /nfs/dbraw/zinc/46/56/05/529465605.db2.gz ZTKKOJIKVDPDBO-UHFFFAOYSA-N 0 1 344.327 2.909 20 5 EFBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000159962822 529678297 /nfs/dbraw/zinc/67/82/97/529678297.db2.gz WYWJMAUMLBAGDX-SECBINFHSA-N 0 1 340.286 2.800 20 5 EFBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178409939 529926058 /nfs/dbraw/zinc/92/60/58/529926058.db2.gz TWWJLNBDFYFHHV-DEOSSOPVSA-N 0 1 348.424 2.843 20 5 EFBDMN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc([S@](C)=O)cc1 ZINC000178410633 529926460 /nfs/dbraw/zinc/92/64/60/529926460.db2.gz LAEDZHVEYUROLA-DEOSSOPVSA-N 0 1 348.424 2.843 20 5 EFBDMN CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc([S@](C)=O)cc1 ZINC000178414511 529928238 /nfs/dbraw/zinc/92/82/38/529928238.db2.gz DATOTAXVGSWXMB-DEOSSOPVSA-N 0 1 348.424 2.843 20 5 EFBDMN CN(CCc1ccncc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000179680567 529937564 /nfs/dbraw/zinc/93/75/64/529937564.db2.gz YGCOGUOYCPHPAQ-UHFFFAOYSA-N 0 1 329.356 2.531 20 5 EFBDMN CN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000160331431 530053504 /nfs/dbraw/zinc/05/35/04/530053504.db2.gz 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COc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000356464487 147251440 /nfs/dbraw/zinc/25/14/40/147251440.db2.gz QSSMXKILFVFFOX-UHFFFAOYSA-N 0 1 345.311 2.520 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000356518993 147265782 /nfs/dbraw/zinc/26/57/82/147265782.db2.gz WWWIUQCSXKFQIY-CQSZACIVSA-N 0 1 327.340 2.627 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CSc1nc(-c2ccccc2F)n[nH]1 ZINC000356533529 147269790 /nfs/dbraw/zinc/26/97/90/147269790.db2.gz MGLZNWOKCXSDPU-UHFFFAOYSA-N 0 1 334.336 2.545 20 5 EFBDMN Cc1ccc(C=Cc2n[nH]c(SCc3c([N+](=O)[O-])ncn3C)n2)o1 ZINC000356570614 147280466 /nfs/dbraw/zinc/28/04/66/147280466.db2.gz YYOJXBAPIMDSSQ-AATRIKPKSA-N 0 1 346.372 2.811 20 5 EFBDMN CC(C)COc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000356575867 147281017 /nfs/dbraw/zinc/28/10/17/147281017.db2.gz LEHLPVFQEYQCMQ-UHFFFAOYSA-N 0 1 331.328 2.983 20 5 EFBDMN COc1c(C(=O)Nc2c(C)n[nH]c2C(F)F)cccc1[N+](=O)[O-] ZINC000356612604 147290810 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C[C@H]1[C@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C ZINC000357001613 147396562 /nfs/dbraw/zinc/39/65/62/147396562.db2.gz MRPYCDMFYBROLK-STQMWFEESA-N 0 1 330.388 2.774 20 5 EFBDMN Cc1c(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)cccc1[N+](=O)[O-] ZINC000359223999 148027923 /nfs/dbraw/zinc/02/79/23/148027923.db2.gz SFMNJLLKCVLIPW-CYBMUJFWSA-N 0 1 329.360 2.503 20 5 EFBDMN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000359403256 148076653 /nfs/dbraw/zinc/07/66/53/148076653.db2.gz GOXXMBLPJYOWLM-UHFFFAOYSA-N 0 1 348.167 2.519 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000359536553 148113687 /nfs/dbraw/zinc/11/36/87/148113687.db2.gz XELCIRAKQDQMNE-OLZOCXBDSA-N 0 1 334.420 2.527 20 5 EFBDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359626038 148144128 /nfs/dbraw/zinc/14/41/28/148144128.db2.gz UTNMWVQOZGSIPC-UHFFFAOYSA-N 0 1 344.371 2.785 20 5 EFBDMN CO[C@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000359663212 148156392 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C[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000413156849 274492480 /nfs/dbraw/zinc/49/24/80/274492480.db2.gz SOIRVDKKMCCAHT-CYBMUJFWSA-N 0 1 330.388 2.523 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(Cc2ccccn2)CC1 ZINC000288189373 274544634 /nfs/dbraw/zinc/54/46/34/274544634.db2.gz RRVHRSIECHXZHU-UHFFFAOYSA-N 0 1 344.419 2.591 20 5 EFBDMN Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000288657684 274638206 /nfs/dbraw/zinc/63/82/06/274638206.db2.gz RELMISVWFYZBFD-LURJTMIESA-N 0 1 346.714 2.786 20 5 EFBDMN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCCc4cn[nH]c43)cc2N1 ZINC000268805076 275018723 /nfs/dbraw/zinc/01/87/23/275018723.db2.gz FNGAVIPTQAEIKP-NSHDSACASA-N 0 1 327.344 2.692 20 5 EFBDMN CC1(C)CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000339209347 275847542 /nfs/dbraw/zinc/84/75/42/275847542.db2.gz NHZCWKAQHRKJSA-LBPRGKRZSA-N 0 1 334.294 2.842 20 5 EFBDMN CC[N@@H+](CC(=O)[O-])C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000263539350 276087824 /nfs/dbraw/zinc/08/78/24/276087824.db2.gz BOOOEKSVFMLISY-UHFFFAOYSA-N 0 1 341.795 2.624 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000456857647 276294312 /nfs/dbraw/zinc/29/43/12/276294312.db2.gz CWSUZTKDUJHFRW-OAHLLOKOSA-N 0 1 338.433 2.630 20 5 EFBDMN CCc1ccc([C@@H]2CNCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000262167689 276671427 /nfs/dbraw/zinc/67/14/27/276671427.db2.gz HMSLUVNJVKMLRG-AWEZNQCLSA-N 0 1 329.356 2.537 20 5 EFBDMN CN(C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000033026596 276789559 /nfs/dbraw/zinc/78/95/59/276789559.db2.gz ZAIUSFGPPKADOM-CQSZACIVSA-N 0 1 333.413 2.618 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(N2CCC(CCN3CCOCC3)CC2)c1 ZINC000338660172 277937154 /nfs/dbraw/zinc/93/71/54/277937154.db2.gz WVSRXDSFGISDHS-UHFFFAOYSA-N 0 1 349.431 2.542 20 5 EFBDMN C[C@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCN1C ZINC000343472925 280105432 /nfs/dbraw/zinc/10/54/32/280105432.db2.gz WGUCYPSGHXHJFX-CABZTGNLSA-N 0 1 345.321 2.826 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCS[C@@H]2CCCC[C@H]21 ZINC000176235556 280239394 /nfs/dbraw/zinc/23/93/94/280239394.db2.gz QNBIZEJMWPGFRW-ZIAGYGMSSA-N 0 1 346.412 2.971 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C)[C@@H](Cc3ccccc3)C2)n1 ZINC000343693095 281012365 /nfs/dbraw/zinc/01/23/65/281012365.db2.gz ABDFOFBGBBOHSJ-INIZCTEOSA-N 0 1 326.400 2.661 20 5 EFBDMN COc1ccc(F)c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000088546937 292829923 /nfs/dbraw/zinc/82/99/23/292829923.db2.gz UOOKXHJFAXDYAE-UHFFFAOYSA-N 0 1 340.332 2.852 20 5 EFBDMN CSCC[C@@H](C)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000126288573 293034591 /nfs/dbraw/zinc/03/45/91/293034591.db2.gz ULCSFVPGUSOTHS-GFCCVEGCSA-N 0 1 325.434 2.631 20 5 EFBDMN Cc1[nH]ncc1CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000129989493 293150101 /nfs/dbraw/zinc/15/01/01/293150101.db2.gz QUDCIYPILVOBJD-UHFFFAOYSA-N 0 1 339.355 2.537 20 5 EFBDMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130408654 293164776 /nfs/dbraw/zinc/16/47/76/293164776.db2.gz WJSYDQFPBWMDGV-ZDUSSCGKSA-N 0 1 335.404 2.685 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cccc(O)c1F ZINC000131546080 293200202 /nfs/dbraw/zinc/20/02/02/293200202.db2.gz JZCJZKFIQVGFOI-UHFFFAOYSA-N 0 1 346.723 2.894 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)CN(C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000132935995 293242058 /nfs/dbraw/zinc/24/20/58/293242058.db2.gz IQUPVQZDPYLYQI-GXTWGEPZSA-N 0 1 337.445 2.518 20 5 EFBDMN C[C@@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000291292562 294337965 /nfs/dbraw/zinc/33/79/65/294337965.db2.gz BQRLKGGONWGQOV-INIZCTEOSA-N 0 1 348.380 2.580 20 5 EFBDMN CCN(C[C@@H](C)OC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000291366251 294360282 /nfs/dbraw/zinc/36/02/82/294360282.db2.gz ZJARRHRPMIYOBP-MNOVXSKESA-N 0 1 343.811 2.932 20 5 EFBDMN Cc1cc(N2CCC[C@H](CN3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292555526 294720212 /nfs/dbraw/zinc/72/02/12/294720212.db2.gz JGMARUJKHPBSSK-CQSZACIVSA-N 0 1 337.395 2.591 20 5 EFBDMN CCNC(=O)[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000293281190 294929461 /nfs/dbraw/zinc/92/94/61/294929461.db2.gz ODUYOAKWWGOHPV-ZDUSSCGKSA-N 0 1 347.337 2.864 20 5 EFBDMN CCNC(=O)c1cccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293832389 295059590 /nfs/dbraw/zinc/05/95/90/295059590.db2.gz SMOSJSQNKOWOEG-GFCCVEGCSA-N 0 1 342.399 2.778 20 5 EFBDMN CCOC1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000293852756 295064216 /nfs/dbraw/zinc/06/42/16/295064216.db2.gz DGQLQCHHRPFZNC-UHFFFAOYSA-N 0 1 332.360 2.550 20 5 EFBDMN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000293948362 295085017 /nfs/dbraw/zinc/08/50/17/295085017.db2.gz IPQKPJDGJGSKHX-OAHLLOKOSA-N 0 1 329.400 2.709 20 5 EFBDMN CNC(=O)[C@]1(C)CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294171806 295122259 /nfs/dbraw/zinc/12/22/59/295122259.db2.gz PYNRUAOZZYNNPJ-CQSZACIVSA-N 0 1 345.321 2.572 20 5 EFBDMN CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294678601 295206412 /nfs/dbraw/zinc/20/64/12/295206412.db2.gz XODRWKHDLRBEGJ-AWEZNQCLSA-N 0 1 344.371 2.626 20 5 EFBDMN CSC[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000294688626 295208406 /nfs/dbraw/zinc/20/84/06/295208406.db2.gz QBONPPCLCTYNLK-SNVBAGLBSA-N 0 1 334.401 2.686 20 5 EFBDMN CC(C)c1nc(CNc2ncc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000294885843 295241158 /nfs/dbraw/zinc/24/11/58/295241158.db2.gz FSEKXYRHIMCJIC-UHFFFAOYSA-N 0 1 341.169 2.606 20 5 EFBDMN CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CCN1Cc1ccccc1 ZINC000295092159 295267166 /nfs/dbraw/zinc/26/71/66/295267166.db2.gz SHICVMPETHFDMI-MRXNPFEDSA-N 0 1 341.415 2.794 20 5 EFBDMN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(C)(C)CO ZINC000295139883 295273433 /nfs/dbraw/zinc/27/34/33/295273433.db2.gz BZDJQTOGBZNHGU-SNVBAGLBSA-N 0 1 343.811 2.526 20 5 EFBDMN O=C(NCc1n[nH]c(C2CC2)n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000295381269 295310759 /nfs/dbraw/zinc/31/07/59/295310759.db2.gz IHVYBTBKAYZTQH-UHFFFAOYSA-N 0 1 343.368 2.735 20 5 EFBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1 ZINC000295400176 295313519 /nfs/dbraw/zinc/31/35/19/295313519.db2.gz RIQFAUASVVGSSO-LBPRGKRZSA-N 0 1 349.456 2.873 20 5 EFBDMN CC(C)(CCC(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1)[N+](=O)[O-] ZINC000295460078 295324474 /nfs/dbraw/zinc/32/44/74/295324474.db2.gz QBYOBTUQZTVOFA-UHFFFAOYSA-N 0 1 343.343 2.992 20 5 EFBDMN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295538929 295337666 /nfs/dbraw/zinc/33/76/66/295337666.db2.gz KLLCFZHZIIBUCE-NSHDSACASA-N 0 1 337.807 2.805 20 5 EFBDMN Cc1nc(N2CCCC[C@H]2c2n[nH]c(C(C)C)n2)ncc1[N+](=O)[O-] ZINC000295719837 295365885 /nfs/dbraw/zinc/36/58/85/295365885.db2.gz UCSGEQKTVUWORF-NSHDSACASA-N 0 1 331.380 2.666 20 5 EFBDMN Cc1nc(N2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)ncc1[N+](=O)[O-] ZINC000295719831 295365902 /nfs/dbraw/zinc/36/59/02/295365902.db2.gz UCSGEQKTVUWORF-LLVKDONJSA-N 0 1 331.380 2.666 20 5 EFBDMN CO[C@@H]1[C@@H](C)[C@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000295844422 295384932 /nfs/dbraw/zinc/38/49/32/295384932.db2.gz DGQBOBMRIBMYKQ-NZVBXONLSA-N 0 1 346.387 2.794 20 5 EFBDMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000443962937 297358012 /nfs/dbraw/zinc/35/80/12/297358012.db2.gz NDWBLIKQJQUUEO-OKILXGFUSA-N 0 1 349.431 2.788 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(CC2CC2)CC1 ZINC000179448201 310787494 /nfs/dbraw/zinc/78/74/94/310787494.db2.gz LQNXCUDUPNMJOX-UHFFFAOYSA-N 0 1 331.416 2.688 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000299430755 311084292 /nfs/dbraw/zinc/08/42/92/311084292.db2.gz LXCMRRDABOQKHR-UHFFFAOYSA-N 0 1 328.372 2.721 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000299533378 311094140 /nfs/dbraw/zinc/09/41/40/311094140.db2.gz MICPHRUEYKYMAG-UHFFFAOYSA-N 0 1 346.362 2.860 20 5 EFBDMN Cc1[nH]nc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000299542500 311095231 /nfs/dbraw/zinc/09/52/31/311095231.db2.gz OWKSRRBMENYWPY-UHFFFAOYSA-N 0 1 342.277 2.917 20 5 EFBDMN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000301456161 311138437 /nfs/dbraw/zinc/13/84/37/311138437.db2.gz WVPNULUMXPRIBA-MNOVXSKESA-N 0 1 347.337 2.505 20 5 EFBDMN CCOc1cc(N2CCC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000301514613 311141860 /nfs/dbraw/zinc/14/18/60/311141860.db2.gz GCTUYJZSRMUINP-OAHLLOKOSA-N 0 1 349.431 2.542 20 5 EFBDMN C[C@H]1CN(CCCNc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301775611 311157579 /nfs/dbraw/zinc/15/75/79/311157579.db2.gz HHCTYXLRXJPROW-QWRGUYRKSA-N 0 1 329.347 2.784 20 5 EFBDMN COc1cc(NCCCN2C[C@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301884173 311164759 /nfs/dbraw/zinc/16/47/59/311164759.db2.gz YOPHWZDKZAMDHG-RYUDHWBXSA-N 0 1 341.383 2.654 20 5 EFBDMN Cc1cc(NC[C@@H](C)CN2CCOCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301984737 311170511 /nfs/dbraw/zinc/17/05/11/311170511.db2.gz CDTCOHQGSNSHPV-CYBMUJFWSA-N 0 1 344.415 2.832 20 5 EFBDMN Cc1cc(N[C@H](C)c2nnc[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302021169 311172839 /nfs/dbraw/zinc/17/28/39/311172839.db2.gz FIIZDHBJBDJROC-SNVBAGLBSA-N 0 1 325.332 2.651 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(CC3CC3)CC2)c(OC(F)F)c1 ZINC000302038786 311173847 /nfs/dbraw/zinc/17/38/47/311173847.db2.gz GWFDXKSHKWMCFJ-UHFFFAOYSA-N 0 1 327.331 2.728 20 5 EFBDMN CC(=O)NC1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302147765 311180366 /nfs/dbraw/zinc/18/03/66/311180366.db2.gz GZQJJWIHQRQLCT-UHFFFAOYSA-N 0 1 328.372 2.556 20 5 EFBDMN CC1(C)CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1CCO ZINC000302514104 311192213 /nfs/dbraw/zinc/19/22/13/311192213.db2.gz GUPWRISBLIRJGP-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN Cc1cc(N2CCN(CC(C)C)C(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302539116 311192905 /nfs/dbraw/zinc/19/29/05/311192905.db2.gz NINZCYZJBBPJQB-UHFFFAOYSA-N 0 1 342.399 2.756 20 5 EFBDMN CCCCn1ncc(Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])c1C ZINC000302779742 311200625 /nfs/dbraw/zinc/20/06/25/311200625.db2.gz QXCQNVJFAXDVFA-UHFFFAOYSA-N 0 1 333.348 2.825 20 5 EFBDMN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000302782090 311200717 /nfs/dbraw/zinc/20/07/17/311200717.db2.gz SFERYBUIEQOEMN-WDEREUQCSA-N 0 1 347.337 2.505 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000305105990 311215758 /nfs/dbraw/zinc/21/57/58/311215758.db2.gz BJYHIWWXQGWSNW-CQSZACIVSA-N 0 1 348.321 2.609 20 5 EFBDMN O=[N+]([O-])c1ccc(CCN2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000305127146 311216529 /nfs/dbraw/zinc/21/65/29/311216529.db2.gz ISOBFMLPMZUXOM-CQSZACIVSA-N 0 1 332.322 2.773 20 5 EFBDMN C[N@@H+](CCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000310598254 311230038 /nfs/dbraw/zinc/23/00/38/311230038.db2.gz HUPGWPXWZLNADQ-UHFFFAOYSA-N 0 1 344.371 2.622 20 5 EFBDMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000324582934 311241818 /nfs/dbraw/zinc/24/18/18/311241818.db2.gz GQVAHIRVSVQRCE-KRWDZBQOSA-N 0 1 326.352 2.821 20 5 EFBDMN CCN1C[C@@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000330562348 311322098 /nfs/dbraw/zinc/32/20/98/311322098.db2.gz JHWLNNPZUPIOBR-QWHCGFSZSA-N 0 1 345.403 2.559 20 5 EFBDMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000330583436 311322797 /nfs/dbraw/zinc/32/27/97/311322797.db2.gz KHZMPXBRITZWFZ-QWHCGFSZSA-N 0 1 330.388 2.774 20 5 EFBDMN CC(C)CN1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330860744 311339274 /nfs/dbraw/zinc/33/92/74/311339274.db2.gz PPSZHQLRSPKCIP-CYBMUJFWSA-N 0 1 337.395 2.638 20 5 EFBDMN O=C(Nc1cnn(-c2ccccc2F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357028962 311901752 /nfs/dbraw/zinc/90/17/52/311901752.db2.gz QBWLTHUYRDXWFI-UHFFFAOYSA-N 0 1 342.286 2.878 20 5 EFBDMN CC(C)Oc1cc(C(=O)N2CCN(CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000411509078 311980141 /nfs/dbraw/zinc/98/01/41/311980141.db2.gz CAIWBYSHUDCNAY-UHFFFAOYSA-N 0 1 347.415 2.550 20 5 EFBDMN O=C(CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)NCC(F)(F)F ZINC000417339982 312211207 /nfs/dbraw/zinc/21/12/07/312211207.db2.gz LPGKDHNITGAUOT-CYBMUJFWSA-N 0 1 345.321 2.630 20 5 EFBDMN O=C([O-])c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc1C1CC1 ZINC000417704168 312259354 /nfs/dbraw/zinc/25/93/54/312259354.db2.gz MAIPEQXHZCJBJD-UHFFFAOYSA-N 0 1 327.340 2.855 20 5 EFBDMN O=C([O-])c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1C1CC1 ZINC000417712393 312259944 /nfs/dbraw/zinc/25/99/44/312259944.db2.gz WVVUHAIHEHMADZ-UHFFFAOYSA-N 0 1 327.340 2.855 20 5 EFBDMN COc1ccc(CNCc2ccccc2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000417874443 312287052 /nfs/dbraw/zinc/28/70/52/312287052.db2.gz KFWNQNUFIBHGMI-UHFFFAOYSA-N 0 1 343.383 2.595 20 5 EFBDMN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H](c1ccco1)N1CCCC1 ZINC000420583013 312373474 /nfs/dbraw/zinc/37/34/74/312373474.db2.gz JQPYFKZMFJAGFO-AWEZNQCLSA-N 0 1 344.371 2.536 20 5 EFBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423588998 312435477 /nfs/dbraw/zinc/43/54/77/312435477.db2.gz HIFDDUAGJUNWQA-TXEJJXNPSA-N 0 1 335.429 2.673 20 5 EFBDMN C[C@@H](N[C@@H](C)C(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000453341303 312890111 /nfs/dbraw/zinc/89/01/11/312890111.db2.gz LHCDEHTVBGJRHP-CABCVRRESA-N 0 1 341.411 2.993 20 5 EFBDMN Cc1cccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1C ZINC000453581116 312912155 /nfs/dbraw/zinc/91/21/55/312912155.db2.gz UVCVDKVDIPVWFI-UHFFFAOYSA-N 0 1 326.400 2.929 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCCc3ccccc3CC2)c1[N+](=O)[O-] ZINC000456314197 313038075 /nfs/dbraw/zinc/03/80/75/313038075.db2.gz ORVHKBPSNBSJFO-UHFFFAOYSA-N 0 1 328.372 2.511 20 5 EFBDMN C[C@H](C(=O)NCc1n[nH]c(C(C)(C)C)n1)c1ccc([N+](=O)[O-])cc1F ZINC000458019478 313055360 /nfs/dbraw/zinc/05/53/60/313055360.db2.gz DSEFTJIKLHZPDA-VIFPVBQESA-N 0 1 349.366 2.569 20 5 EFBDMN CC(C)(C)c1nc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000458030244 313059158 /nfs/dbraw/zinc/05/91/58/313059158.db2.gz WRCIKFJPCLAGEP-UHFFFAOYSA-N 0 1 345.403 2.604 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000470147113 313129445 /nfs/dbraw/zinc/12/94/45/313129445.db2.gz NDVMOXCGDAYEJR-CLFJRNRBSA-N 0 1 329.400 2.584 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)N2CCN(C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486472639 313338013 /nfs/dbraw/zinc/33/80/13/313338013.db2.gz UBMJJJWNKGVECX-WMLDXEAASA-N 0 1 348.447 2.946 20 5 EFBDMN C[C@@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)[N@H+]1CCC[C@@H](C)C1 ZINC000486937390 313349903 /nfs/dbraw/zinc/34/99/03/313349903.db2.gz MFVNXNDBWMLPMG-OLZOCXBDSA-N 0 1 345.403 2.599 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc(C2CCC2)n[nH]1 ZINC000492605804 314055161 /nfs/dbraw/zinc/05/51/61/314055161.db2.gz UUCJLSHBNARKHL-ALCCZGGFSA-N 0 1 331.307 2.771 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])Nc1n[nH]c(C2CCC2)n1 ZINC000492605804 314055164 /nfs/dbraw/zinc/05/51/64/314055164.db2.gz UUCJLSHBNARKHL-ALCCZGGFSA-N 0 1 331.307 2.771 20 5 EFBDMN C[C@@]1(CO)CCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493608139 314416834 /nfs/dbraw/zinc/41/68/34/314416834.db2.gz ZRQISLRJLIVYMK-WBVHZDCISA-N 0 1 331.372 2.891 20 5 EFBDMN COC(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000494955082 314651439 /nfs/dbraw/zinc/65/14/39/314651439.db2.gz RHYXCYAJUSMCTC-UHFFFAOYSA-N 0 1 332.268 2.698 20 5 EFBDMN Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000496288494 315013522 /nfs/dbraw/zinc/01/35/22/315013522.db2.gz APMSZTISFGBZCN-ZIAGYGMSSA-N 0 1 349.387 2.623 20 5 EFBDMN O=C(c1ccc([N+](=O)[O-])o1)N(CCN1CCCC1)c1ccccc1 ZINC000523536773 316128984 /nfs/dbraw/zinc/12/89/84/316128984.db2.gz NGOSANZWSPKYGL-UHFFFAOYSA-N 0 1 329.356 2.930 20 5 EFBDMN CC(C)n1cc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000524280420 316151602 /nfs/dbraw/zinc/15/16/02/316151602.db2.gz FFGUAUGBLLKSFR-SNVBAGLBSA-N 0 1 342.359 2.740 20 5 EFBDMN COc1ccccc1[C@@H](CO)N=c1ccc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000525706155 316228079 /nfs/dbraw/zinc/22/80/79/316228079.db2.gz IKFAUPRFPOGKNY-MRXNPFEDSA-N 0 1 339.351 2.719 20 5 EFBDMN COc1ccc(OCCN2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000525786400 316237599 /nfs/dbraw/zinc/23/75/99/316237599.db2.gz BAVSNKGTLYDCHZ-RYUDHWBXSA-N 0 1 326.418 2.808 20 5 EFBDMN CNc1ccc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000525951430 316261941 /nfs/dbraw/zinc/26/19/41/316261941.db2.gz ALJFWEIJSSQDDN-UHFFFAOYSA-N 0 1 338.327 2.674 20 5 EFBDMN COCCOc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000531683126 317300882 /nfs/dbraw/zinc/30/08/82/317300882.db2.gz VFVXNZLITPHSSI-ZDUSSCGKSA-N 0 1 331.372 2.866 20 5 EFBDMN Cc1ccc(CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000532753959 317438446 /nfs/dbraw/zinc/43/84/46/317438446.db2.gz RJQXCNZAXWUURS-UHFFFAOYSA-N 0 1 326.400 2.663 20 5 EFBDMN CC[C@@](C)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000547820958 318045676 /nfs/dbraw/zinc/04/56/76/318045676.db2.gz HHVDSRWCBZEKKD-SNVBAGLBSA-N 0 1 326.296 2.604 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C)C(C)(C)C1 ZINC000550657884 318195599 /nfs/dbraw/zinc/19/55/99/318195599.db2.gz XDAFIHIMEHWWDG-GFCCVEGCSA-N 0 1 345.403 2.732 20 5 EFBDMN O=C1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1c1ccccc1 ZINC000566630360 319096856 /nfs/dbraw/zinc/09/68/56/319096856.db2.gz JUPXWZOQLPDOJQ-CXAGYDPISA-N 0 1 337.379 2.977 20 5 EFBDMN CCc1cnc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000568500741 319289639 /nfs/dbraw/zinc/28/96/39/319289639.db2.gz CYCRVTZWMRWQPD-UHFFFAOYSA-N 0 1 334.401 2.732 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnc(N2CCCC2)nc1 ZINC000569627225 319398831 /nfs/dbraw/zinc/39/88/31/319398831.db2.gz DZHJERFORJFIHE-UHFFFAOYSA-N 0 1 341.415 2.660 20 5 EFBDMN CCc1ccnc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000570272699 319460701 /nfs/dbraw/zinc/46/07/01/319460701.db2.gz FJGSWILHISSIJL-UHFFFAOYSA-N 0 1 328.372 2.671 20 5 EFBDMN CC(C)(C)N1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000576702917 320040509 /nfs/dbraw/zinc/04/05/09/320040509.db2.gz CSQUMHJQJHPGIG-HOTGVXAUSA-N 0 1 331.416 2.961 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000577340654 320099856 /nfs/dbraw/zinc/09/98/56/320099856.db2.gz LIKGQTOPTNDQOC-MNOVXSKESA-N 0 1 331.376 2.817 20 5 EFBDMN COc1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])c(C)o2)cc1[N+](=O)[O-] ZINC000577521762 320119030 /nfs/dbraw/zinc/11/90/30/320119030.db2.gz QSQQKSRXNZZCJH-UHFFFAOYSA-N 0 1 334.328 2.835 20 5 EFBDMN COc1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)cc1[N+](=O)[O-] ZINC000577521762 320119032 /nfs/dbraw/zinc/11/90/32/320119032.db2.gz QSQQKSRXNZZCJH-UHFFFAOYSA-N 0 1 334.328 2.835 20 5 EFBDMN Cc1ccc([C@@H](C)NCc2cc(=O)n3ccccc3n2)cc1[N+](=O)[O-] ZINC000181820054 323252319 /nfs/dbraw/zinc/25/23/19/323252319.db2.gz KMMXVMXEZFCCOB-CYBMUJFWSA-N 0 1 338.367 2.762 20 5 EFBDMN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000182667216 323293931 /nfs/dbraw/zinc/29/39/31/323293931.db2.gz UKTVZFLINQCFFS-HNNXBMFYSA-N 0 1 340.383 2.749 20 5 EFBDMN Cc1ccc2c(c1)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])CO2 ZINC000579582004 323988264 /nfs/dbraw/zinc/98/82/64/323988264.db2.gz FHAADNJNFAXVLW-HNNXBMFYSA-N 0 1 341.367 2.955 20 5 EFBDMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000580574957 324192730 /nfs/dbraw/zinc/19/27/30/324192730.db2.gz RYLPCDWLEWPYLZ-KRWDZBQOSA-N 0 1 342.351 2.658 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCC=C(c3cccnc3)C2)c1[N+](=O)[O-] ZINC000581182017 324321890 /nfs/dbraw/zinc/32/18/90/324321890.db2.gz ITJYCKUKIWXZHY-UHFFFAOYSA-N 0 1 341.371 2.595 20 5 EFBDMN CC(C)C[N@H+]1CCCC[C@@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581194233 324325576 /nfs/dbraw/zinc/32/55/76/324325576.db2.gz XSQMETQNYSTHER-GFCCVEGCSA-N 0 1 336.392 2.610 20 5 EFBDMN Cc1cnccc1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000584110510 324931318 /nfs/dbraw/zinc/93/13/18/324931318.db2.gz GJOBDFSKSPQZNR-UHFFFAOYSA-N 0 1 326.400 2.663 20 5 EFBDMN C[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000161087071 473205211 /nfs/dbraw/zinc/20/52/11/473205211.db2.gz QMDKWSNKRUKQCI-LLVKDONJSA-N 0 1 337.339 2.871 20 5 EFBDMN Cc1cc(C[C@@H](C)NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000124346058 473235641 /nfs/dbraw/zinc/23/56/41/473235641.db2.gz CKSAFMUCONHWSY-DFVUYQKZSA-N 0 1 332.335 2.526 20 5 EFBDMN COc1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000124354820 473236882 /nfs/dbraw/zinc/23/68/82/473236882.db2.gz XGXRBSLBURRALU-UHFFFAOYSA-N 0 1 326.305 2.543 20 5 EFBDMN CCO[C@@H]1C[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(CC)CC ZINC000081816910 473260174 /nfs/dbraw/zinc/26/01/74/473260174.db2.gz MPEGQJPQFZYMOT-NWDGAFQWSA-N 0 1 338.408 2.682 20 5 EFBDMN CN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000176995547 473282959 /nfs/dbraw/zinc/28/29/59/473282959.db2.gz QGLFBFIEMTZHLR-UHFFFAOYSA-N 0 1 335.379 2.824 20 5 EFBDMN COc1cc(S(=O)(=O)Nc2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000124899736 473322868 /nfs/dbraw/zinc/32/28/68/473322868.db2.gz MBUTZIVIQGAOSS-UHFFFAOYSA-N 0 1 340.332 2.852 20 5 EFBDMN CN(CCC(=O)Nc1cc(N)ccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000083168431 473326379 /nfs/dbraw/zinc/32/63/79/473326379.db2.gz OZCUWQRHRYKDRS-UHFFFAOYSA-N 0 1 346.362 2.777 20 5 EFBDMN Cc1c(NC(=O)CCN[C@H](CCO)c2ccco2)cccc1[N+](=O)[O-] ZINC000185108097 473330927 /nfs/dbraw/zinc/33/09/27/473330927.db2.gz MLYZPGBQOTVART-CQSZACIVSA-N 0 1 347.371 2.538 20 5 EFBDMN CCCCN(CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162451186 473341157 /nfs/dbraw/zinc/34/11/57/473341157.db2.gz RKGGAQDKTOWUAF-UHFFFAOYSA-N 0 1 331.210 2.952 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)ncn2C ZINC000083577541 473351497 /nfs/dbraw/zinc/35/14/97/473351497.db2.gz GKVLRYBOFIFVQQ-UHFFFAOYSA-N 0 1 346.368 2.591 20 5 EFBDMN O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000125257225 473383743 /nfs/dbraw/zinc/38/37/43/473383743.db2.gz PORRKLROZJUCOY-RHSMWYFYSA-N 0 1 329.400 2.570 20 5 EFBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000619782646 479883608 /nfs/dbraw/zinc/88/36/08/479883608.db2.gz IEVHVCQHPQNTBD-LLVKDONJSA-N 0 1 331.397 2.896 20 5 EFBDMN Cc1ncc([C@@H](C)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1 ZINC000602638769 479441246 /nfs/dbraw/zinc/44/12/46/479441246.db2.gz WNEDTAUBORWLBR-GFCCVEGCSA-N 0 1 330.392 2.596 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000067026861 471983779 /nfs/dbraw/zinc/98/37/79/471983779.db2.gz MULXHJRZXIEUEX-MRXNPFEDSA-N 0 1 339.395 2.908 20 5 EFBDMN Cc1cc(NC(=O)C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000021395100 472000555 /nfs/dbraw/zinc/00/05/55/472000555.db2.gz FOTAUYYLPKANFR-UHFFFAOYSA-N 0 1 344.371 2.742 20 5 EFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000053406388 472004791 /nfs/dbraw/zinc/00/47/91/472004791.db2.gz TVGYPLRJCUMMEP-CZUORRHYSA-N 0 1 329.331 2.588 20 5 EFBDMN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000067593910 472055763 /nfs/dbraw/zinc/05/57/63/472055763.db2.gz AXJUPASMSMYCAW-SFHVURJKSA-N 0 1 339.395 2.876 20 5 EFBDMN O=C(Nc1ccccn1)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000054181110 472065767 /nfs/dbraw/zinc/06/57/67/472065767.db2.gz FSOIBUQNYRRSSH-OAHLLOKOSA-N 0 1 340.383 2.841 20 5 EFBDMN COc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000025330141 472090678 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Cc1ccc(NCCCN[C@H](C(N)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000151924511 473508132 /nfs/dbraw/zinc/50/81/32/473508132.db2.gz ODXXYWHOIOQZOS-KRWDZBQOSA-N 0 1 342.399 2.521 20 5 EFBDMN Cc1ccnc(N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000166208064 473522661 /nfs/dbraw/zinc/52/26/61/473522661.db2.gz CKUNQLXSPKTHGO-UHFFFAOYSA-N 0 1 326.400 2.663 20 5 EFBDMN COc1ccccc1[C@H](CC(C)C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000126854161 473552825 /nfs/dbraw/zinc/55/28/25/473552825.db2.gz UGMKJQXGZGHNDS-LBPRGKRZSA-N 0 1 332.360 2.844 20 5 EFBDMN CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000170648127 473574223 /nfs/dbraw/zinc/57/42/23/473574223.db2.gz YQEPEFAQJVWTIJ-CYBMUJFWSA-N 0 1 335.404 2.941 20 5 EFBDMN CN(C)c1noc(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000191898465 473587308 /nfs/dbraw/zinc/58/73/08/473587308.db2.gz MVKZHJUYTGMSGV-JSGCOSHPSA-N 0 1 345.403 2.545 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)C[C@@H](C)C1 ZINC000127491174 473617872 /nfs/dbraw/zinc/61/78/72/473617872.db2.gz CMPIWPSGOIHYDZ-QWHCGFSZSA-N 0 1 335.404 2.910 20 5 EFBDMN CCOc1ccc([C@@H](C)N[C@@H](CC(C)C)C(=O)NC)cc1[N+](=O)[O-] ZINC000153335976 473619070 /nfs/dbraw/zinc/61/90/70/473619070.db2.gz ULWQDBFSPCXQHI-OCCSQVGLSA-N 0 1 337.420 2.805 20 5 EFBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000153757686 473640645 /nfs/dbraw/zinc/64/06/45/473640645.db2.gz SMUATGHXEDXYLG-HNNXBMFYSA-N 0 1 339.823 2.589 20 5 EFBDMN C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000192194126 473645998 /nfs/dbraw/zinc/64/59/98/473645998.db2.gz WBWFYOXFQYITQO-IUODEOHRSA-N 0 1 335.429 2.528 20 5 EFBDMN CN(C(=O)CN1CCc2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 ZINC000116301540 473649241 /nfs/dbraw/zinc/64/92/41/473649241.db2.gz IYBBXXAJOAMOMI-UHFFFAOYSA-N 0 1 339.395 2.658 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccccc2OC)c1[N+](=O)[O-] ZINC000192509876 473687167 /nfs/dbraw/zinc/68/71/67/473687167.db2.gz ULBXGHONFPMYQS-CYBMUJFWSA-N 0 1 344.371 2.866 20 5 EFBDMN CCO[C@@H]1C[C@@](CO)(NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000186576833 473692394 /nfs/dbraw/zinc/69/23/94/473692394.db2.gz SRENLHHKDNCXPC-ZBFHGGJFSA-N 0 1 342.823 2.904 20 5 EFBDMN CC(=O)N1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000179812537 473731556 /nfs/dbraw/zinc/73/15/56/473731556.db2.gz QXUARNGFBOQLOY-UHFFFAOYSA-N 0 1 343.383 2.909 20 5 EFBDMN CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269270339 473757113 /nfs/dbraw/zinc/75/71/13/473757113.db2.gz FZZQNTIKKREUEC-UHFFFAOYSA-N 0 1 335.404 2.637 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1[N+](=O)[O-] ZINC000269329230 473774753 /nfs/dbraw/zinc/77/47/53/473774753.db2.gz DXQSRXRRIIELBI-SNVBAGLBSA-N 0 1 332.364 2.532 20 5 EFBDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263570433 473779424 /nfs/dbraw/zinc/77/94/24/473779424.db2.gz IEQBBVFCNNESCJ-UHFFFAOYSA-N 0 1 331.166 2.654 20 5 EFBDMN COc1cc(CN2CCC[C@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000274331990 473784211 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ncccc1Cl ZINC000180192494 473824451 /nfs/dbraw/zinc/82/44/51/473824451.db2.gz LPUJNOADBIOOCZ-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN C[C@H](NCC(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173392262 473824944 /nfs/dbraw/zinc/82/49/44/473824944.db2.gz RHGSASRSDGJVGH-ZDUSSCGKSA-N 0 1 325.368 2.835 20 5 EFBDMN C[C@@H](NCC(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173407212 473828412 /nfs/dbraw/zinc/82/84/12/473828412.db2.gz MWJPZWVOSFNGBJ-CQSZACIVSA-N 0 1 327.384 2.604 20 5 EFBDMN CO[C@]1(C)C[C@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1(C)C ZINC000269556893 473833428 /nfs/dbraw/zinc/83/34/28/473833428.db2.gz ZLDCXKNUDLWSOI-MGPLVRAMSA-N 0 1 338.408 2.717 20 5 EFBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(OC(F)F)c2)c1 ZINC000194163774 473852520 /nfs/dbraw/zinc/85/25/20/473852520.db2.gz CBKMWPNCNRECBU-UHFFFAOYSA-N 0 1 344.295 2.997 20 5 EFBDMN Cc1ccsc1CNC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180446691 473879489 /nfs/dbraw/zinc/87/94/89/473879489.db2.gz GBJBOVXQESLEEW-GFCCVEGCSA-N 0 1 333.413 2.932 20 5 EFBDMN CCOc1ccc([C@H](C)NCc2cnn(CCOC)c2)cc1[N+](=O)[O-] ZINC000281914913 473883448 /nfs/dbraw/zinc/88/34/48/473883448.db2.gz AEYFQRJDLFGGGM-ZDUSSCGKSA-N 0 1 348.403 2.687 20 5 EFBDMN CCOc1ccc([C@@H](C)NCc2cnn(CCOC)c2)cc1[N+](=O)[O-] ZINC000281914911 473883550 /nfs/dbraw/zinc/88/35/50/473883550.db2.gz AEYFQRJDLFGGGM-CYBMUJFWSA-N 0 1 348.403 2.687 20 5 EFBDMN CS[C@H]1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000274709100 473928745 /nfs/dbraw/zinc/92/87/45/473928745.db2.gz XDHQVNDKKZIZDN-SJORKVTESA-N 0 1 349.456 2.813 20 5 EFBDMN CC(C)(O)CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000264135149 473954286 /nfs/dbraw/zinc/95/42/86/473954286.db2.gz XKJDMKJYEASERY-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN CN(Cc1ccccc1)C1CN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000288524996 473970238 /nfs/dbraw/zinc/97/02/38/473970238.db2.gz UEKHPXGXUCUYSI-UHFFFAOYSA-N 0 1 325.368 2.551 20 5 EFBDMN CCc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000174072557 473982163 /nfs/dbraw/zinc/98/21/63/473982163.db2.gz CBQJEENKHYJQED-UHFFFAOYSA-N 0 1 331.416 2.858 20 5 EFBDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000174095061 473986527 /nfs/dbraw/zinc/98/65/27/473986527.db2.gz MCLYSBKAXSGZKW-UHFFFAOYSA-N 0 1 340.339 2.767 20 5 EFBDMN C[C@H](NC(=O)[C@@H]1NCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000195111444 474008043 /nfs/dbraw/zinc/00/80/43/474008043.db2.gz OWIPUYTXHIDTDN-YVEFUNNKSA-N 0 1 325.368 2.659 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3OCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246951151 474013904 /nfs/dbraw/zinc/01/39/04/474013904.db2.gz XEJJTLQDEIPKTQ-ZQIUZPCESA-N 0 1 347.415 2.731 20 5 EFBDMN CC[C@@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000174369339 474030553 /nfs/dbraw/zinc/03/05/53/474030553.db2.gz QDSKBDSTXQNCJO-CYBMUJFWSA-N 0 1 326.418 2.810 20 5 EFBDMN C[C@@H](N[C@H](C)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181506029 474041468 /nfs/dbraw/zinc/04/14/68/474041468.db2.gz SSKNVHNTCDGRBZ-VXGBXAGGSA-N 0 1 329.356 2.978 20 5 EFBDMN Cc1cccc(NCc2cccnc2N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000188369084 474073080 /nfs/dbraw/zinc/07/30/80/474073080.db2.gz MCWADGRYNAZEOY-UHFFFAOYSA-N 0 1 341.415 2.662 20 5 EFBDMN COc1ccc(CN(CCO)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000181984363 474074919 /nfs/dbraw/zinc/07/49/19/474074919.db2.gz KSEAFTQUUNWWPL-UHFFFAOYSA-N 0 1 330.384 2.906 20 5 EFBDMN C[C@H](C(=O)NCc1cccs1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282519722 474096838 /nfs/dbraw/zinc/09/68/38/474096838.db2.gz TUUZKDWUWYNRGH-CYBMUJFWSA-N 0 1 347.440 2.836 20 5 EFBDMN O=C(N[C@@H]1CCCC12CCOCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000282529351 474099464 /nfs/dbraw/zinc/09/94/64/474099464.db2.gz PHDHEHYXLZWNJG-CQSZACIVSA-N 0 1 344.371 2.550 20 5 EFBDMN Cc1ccc(OC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1C ZINC000174822217 474103737 /nfs/dbraw/zinc/10/37/37/474103737.db2.gz LSPXUWYGTRQPKB-UHFFFAOYSA-N 0 1 344.415 2.952 20 5 EFBDMN C[NH+](C)CCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000264728996 474106155 /nfs/dbraw/zinc/10/61/55/474106155.db2.gz IOYNTZISWLAUEO-UHFFFAOYSA-N 0 1 332.360 2.506 20 5 EFBDMN COc1cc(C(=O)NCc2nc3ccc(C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000174875429 474110141 /nfs/dbraw/zinc/11/01/41/474110141.db2.gz XXJVUMVYNVJDJD-UHFFFAOYSA-N 0 1 340.339 2.718 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCN1CCCOCC1 ZINC000188492670 474110263 /nfs/dbraw/zinc/11/02/63/474110263.db2.gz XXOVXOQFSQHYNF-UHFFFAOYSA-N 0 1 333.310 2.748 20 5 EFBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000182167185 474113428 /nfs/dbraw/zinc/11/34/28/474113428.db2.gz RXGCGQAYFBSXMR-ZDUSSCGKSA-N 0 1 334.397 2.719 20 5 EFBDMN COCCOC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182196450 474120647 /nfs/dbraw/zinc/12/06/47/474120647.db2.gz BDDRPJWDWHBUKZ-GFCCVEGCSA-N 0 1 328.796 2.733 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(CCOC2)C1 ZINC000247343779 474124604 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EFBDMN CC(C)OCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000182724289 474242245 /nfs/dbraw/zinc/24/22/45/474242245.db2.gz ABSSMHXDKMNCNB-UHFFFAOYSA-N 0 1 333.348 2.524 20 5 EFBDMN C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)CN1CCOCC1 ZINC000265597718 474263988 /nfs/dbraw/zinc/26/39/88/474263988.db2.gz RBIVFMMSXIQRMJ-CYBMUJFWSA-N 0 1 330.388 2.523 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000265701936 474302573 /nfs/dbraw/zinc/30/25/73/474302573.db2.gz RBMWDAJLZNZNGP-AAEUAGOBSA-N 0 1 328.372 2.953 20 5 EFBDMN CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265827634 474352080 /nfs/dbraw/zinc/35/20/80/474352080.db2.gz SDSCTLOVFRKERV-MRXNPFEDSA-N 0 1 333.432 2.863 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1F ZINC000283256907 474352447 /nfs/dbraw/zinc/35/24/47/474352447.db2.gz VTRITXMIXYPHSH-ZDUSSCGKSA-N 0 1 345.378 2.651 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237191818 474353764 /nfs/dbraw/zinc/35/37/64/474353764.db2.gz ORKWVVMHSSFYOT-CQDKDKBSSA-N 0 1 334.372 2.821 20 5 EFBDMN O=C(CCC(F)(F)F)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000175993779 474358625 /nfs/dbraw/zinc/35/86/25/474358625.db2.gz MVIYJNSEKNBEIK-UHFFFAOYSA-N 0 1 329.238 2.661 20 5 EFBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Br)s1 ZINC000176195504 474406683 /nfs/dbraw/zinc/40/66/83/474406683.db2.gz QPQKTNCEAUSWJF-UHFFFAOYSA-N 0 1 345.222 2.747 20 5 EFBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1nncn1CC ZINC000271067933 474393445 /nfs/dbraw/zinc/39/34/45/474393445.db2.gz DKJNPZBAXBRNOC-LBPRGKRZSA-N 0 1 335.433 2.867 20 5 EFBDMN COC[C@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000276066880 474407150 /nfs/dbraw/zinc/40/71/50/474407150.db2.gz RZGHYHQPCLXVCT-GXTWGEPZSA-N 0 1 331.372 2.692 20 5 EFBDMN CN(C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000266114382 474419357 /nfs/dbraw/zinc/41/93/57/474419357.db2.gz UYGAENVALGQCIV-HNNXBMFYSA-N 0 1 333.413 2.618 20 5 EFBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCN1 ZINC000237522092 474420674 /nfs/dbraw/zinc/42/06/74/474420674.db2.gz RWWCXTJORJCAIG-ZDUSSCGKSA-N 0 1 341.367 2.821 20 5 EFBDMN O=C(c1ccc(F)cc1)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176251328 474422060 /nfs/dbraw/zinc/42/20/60/474422060.db2.gz YHXTWBNTJMVYOL-AWEZNQCLSA-N 0 1 346.362 2.525 20 5 EFBDMN Nc1ccc(NC2CCN(Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000283585840 474442432 /nfs/dbraw/zinc/44/24/32/474442432.db2.gz PJRJIBXHKPAJLQ-UHFFFAOYSA-N 0 1 327.388 2.649 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CNCC3(CO)CCC3)cs2)c1 ZINC000184365180 474505283 /nfs/dbraw/zinc/50/52/83/474505283.db2.gz XDTPQCMKGYJQMM-UHFFFAOYSA-N 0 1 333.413 2.971 20 5 EFBDMN C[C@@H](CO)N(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 ZINC000276461604 474553146 /nfs/dbraw/zinc/55/31/46/474553146.db2.gz ORPQHIQLTLDPDF-LBPRGKRZSA-N 0 1 346.387 2.770 20 5 EFBDMN COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000184579973 474553398 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1 347.415 2.549 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@](CO)(c2ccccc2)C1 ZINC000291821074 474704670 /nfs/dbraw/zinc/70/46/70/474704670.db2.gz NXIOGMJTGFZEIH-LJQANCHMSA-N 0 1 342.395 2.739 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C2CCC2)CC1 ZINC000267925929 474711248 /nfs/dbraw/zinc/71/12/48/474711248.db2.gz DQOXMJUPTDYJFK-UHFFFAOYSA-N 0 1 332.404 2.914 20 5 EFBDMN CCc1ccccc1NC(=O)CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338906142 474718981 /nfs/dbraw/zinc/71/89/81/474718981.db2.gz QJPWCWGRHIALSG-UHFFFAOYSA-N 0 1 343.383 2.933 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000344412106 474729703 /nfs/dbraw/zinc/72/97/03/474729703.db2.gz CVVKGNYJCKAYPD-CHWSQXEVSA-N 0 1 337.445 2.628 20 5 EFBDMN COc1ccc(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])c(OC)c1 ZINC000338926002 474738843 /nfs/dbraw/zinc/73/88/43/474738843.db2.gz NWAJPNABUGYPOY-UHFFFAOYSA-N 0 1 332.356 2.950 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000268028876 474759012 /nfs/dbraw/zinc/75/90/12/474759012.db2.gz MSRABAWYOBEMEI-LLVKDONJSA-N 0 1 332.335 2.649 20 5 EFBDMN NC(=O)c1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000268029656 474759267 /nfs/dbraw/zinc/75/92/67/474759267.db2.gz MDGREYIHEJWLTF-AWEZNQCLSA-N 0 1 343.358 2.822 20 5 EFBDMN CN(C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccco1 ZINC000253613203 474772856 /nfs/dbraw/zinc/77/28/56/474772856.db2.gz NGLVMQROCRWRLB-AWEZNQCLSA-N 0 1 343.343 2.551 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)N2CCN(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000268089594 474789771 /nfs/dbraw/zinc/78/97/71/474789771.db2.gz ZWWCVYURXJQSSU-CQSZACIVSA-N 0 1 346.431 2.844 20 5 EFBDMN O=C(C=Cc1ccccc1[N+](=O)[O-])NCc1nc2ccc(F)cc2[nH]1 ZINC000255053966 474795867 /nfs/dbraw/zinc/79/58/67/474795867.db2.gz BMIUNYQJDXMWRV-YVMONPNESA-N 0 1 340.314 2.940 20 5 EFBDMN COCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000340956246 474815729 /nfs/dbraw/zinc/81/57/29/474815729.db2.gz HNYSXZXSBNYEJL-UHFFFAOYSA-N 0 1 336.369 2.850 20 5 EFBDMN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338997569 474817657 /nfs/dbraw/zinc/81/76/57/474817657.db2.gz FJDPRVXAKGGSHA-CABCVRRESA-N 0 1 340.383 2.854 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H](O)Cc1ccc(F)cc1)CC2 ZINC000339015144 474836747 /nfs/dbraw/zinc/83/67/47/474836747.db2.gz SYLDLPGTEQDUIL-GOSISDBHSA-N 0 1 330.359 2.696 20 5 EFBDMN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@H]2OC(F)F)c2c(c1)COCO2 ZINC000337279004 474853174 /nfs/dbraw/zinc/85/31/74/474853174.db2.gz GJIPMMLVMRNHRV-QWHCGFSZSA-N 0 1 344.314 2.711 20 5 EFBDMN Cc1cc(NC[C@H]2CN(C)CCN2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000293175854 474853767 /nfs/dbraw/zinc/85/37/67/474853767.db2.gz VKXFPNRTUCWUHQ-NSHDSACASA-N 0 1 346.353 2.580 20 5 EFBDMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1csc([N+](=O)[O-])c1 ZINC000609233232 480129793 /nfs/dbraw/zinc/12/97/93/480129793.db2.gz TXOBHCZAHUSCBJ-UHFFFAOYSA-N 0 1 347.331 2.511 20 5 EFBDMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1csc([N+](=O)[O-])c1 ZINC000609233232 480129798 /nfs/dbraw/zinc/12/97/98/480129798.db2.gz TXOBHCZAHUSCBJ-UHFFFAOYSA-N 0 1 347.331 2.511 20 5 EFBDMN COc1cc(CN2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000284992706 474855340 /nfs/dbraw/zinc/85/53/40/474855340.db2.gz JBBNVMNTJZCUIS-UKRRQHHQSA-N 0 1 336.388 2.755 20 5 EFBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccsc1 ZINC000314131734 474860238 /nfs/dbraw/zinc/86/02/38/474860238.db2.gz HDMOOXRSSMKHKF-QMMMGPOBSA-N 0 1 330.362 2.835 20 5 EFBDMN CCCNC(=O)C1([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])CCCCC1 ZINC000339042826 474869332 /nfs/dbraw/zinc/86/93/32/474869332.db2.gz FIBHOOSNLYWMBO-UHFFFAOYSA-N 0 1 335.404 2.619 20 5 EFBDMN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000278882832 474891051 /nfs/dbraw/zinc/89/10/51/474891051.db2.gz WMVORCADVIMQMY-GFCCVEGCSA-N 0 1 339.823 2.938 20 5 EFBDMN COc1cc(CNCCOC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000273497490 474931267 /nfs/dbraw/zinc/93/12/67/474931267.db2.gz ORCJNCILQDLANL-UHFFFAOYSA-N 0 1 348.346 2.762 20 5 EFBDMN Cc1cc(F)cc(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000322867142 474943624 /nfs/dbraw/zinc/94/36/24/474943624.db2.gz FAVYSCQLLAZEHC-UHFFFAOYSA-N 0 1 340.332 2.857 20 5 EFBDMN CSC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000292325081 474962982 /nfs/dbraw/zinc/96/29/82/474962982.db2.gz FSRMBSBDSSYSAU-QWHCGFSZSA-N 0 1 337.445 2.997 20 5 EFBDMN CSC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000292325084 474963084 /nfs/dbraw/zinc/96/30/84/474963084.db2.gz FSRMBSBDSSYSAU-STQMWFEESA-N 0 1 337.445 2.997 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@@H](CO)c1cccc(Cl)c1F ZINC000339152870 474981276 /nfs/dbraw/zinc/98/12/76/474981276.db2.gz GDLAKVGGBSEVOI-ZDUSSCGKSA-N 0 1 340.738 2.916 20 5 EFBDMN CSC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000292373086 474988679 /nfs/dbraw/zinc/98/86/79/474988679.db2.gz JAHZLCBKTXRHOS-CHWSQXEVSA-N 0 1 337.445 2.997 20 5 EFBDMN COc1ccccc1CN(OC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000292390068 474999567 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Cc1c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1C ZINC000268996765 475119020 /nfs/dbraw/zinc/11/90/20/475119020.db2.gz IJOBIQNWDSWLOQ-UHFFFAOYSA-N 0 1 330.388 2.680 20 5 EFBDMN O=[N+]([O-])c1cccnc1N1CCN(Cc2cccc3cc[nH]c32)CC1 ZINC000295942218 475136975 /nfs/dbraw/zinc/13/69/75/475136975.db2.gz GTZWGXCANUNZFK-UHFFFAOYSA-N 0 1 337.383 2.793 20 5 EFBDMN CC(C)(C(=O)N1CCN(CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000273964707 475140183 /nfs/dbraw/zinc/14/01/83/475140183.db2.gz PQEYEIJNSZWLNZ-UHFFFAOYSA-N 0 1 349.406 2.566 20 5 EFBDMN O=C([C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000287475786 475164619 /nfs/dbraw/zinc/16/46/19/475164619.db2.gz SACPFIHWLZVILE-GFCCVEGCSA-N 0 1 337.807 2.693 20 5 EFBDMN O=C(N[C@H]1CCCC[C@H]1OC(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000337595691 475166124 /nfs/dbraw/zinc/16/61/24/475166124.db2.gz FRQQHMGDKLKXAY-NWDGAFQWSA-N 0 1 330.287 2.581 20 5 EFBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccccc1 ZINC000341588073 475169370 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20 5 EFBDMN CSc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000357974867 475304353 /nfs/dbraw/zinc/30/43/53/475304353.db2.gz OQERWJZHJVLIOL-UHFFFAOYSA-N 0 1 343.368 2.518 20 5 EFBDMN COCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000361262193 475310891 /nfs/dbraw/zinc/31/08/91/475310891.db2.gz RPOAMQZSMLTUFM-RYUDHWBXSA-N 0 1 338.408 2.719 20 5 EFBDMN CC(C)C[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000354681854 475335392 /nfs/dbraw/zinc/33/53/92/475335392.db2.gz JWRNWQUGKVVCAP-OAHLLOKOSA-N 0 1 331.416 2.994 20 5 EFBDMN CC(C)Oc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000358054196 475363836 /nfs/dbraw/zinc/36/38/36/475363836.db2.gz WZWWMJGMWQNPTJ-UHFFFAOYSA-N 0 1 337.357 2.578 20 5 EFBDMN COC[C@@]1(C)CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296562142 475372121 /nfs/dbraw/zinc/37/21/21/475372121.db2.gz CPDVHMKLYNEZOF-DYVFJYSZSA-N 0 1 335.404 2.589 20 5 EFBDMN CC(C)(C)[C@@H]1CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331720938 475390530 /nfs/dbraw/zinc/39/05/30/475390530.db2.gz KIVTWWYQYBBAIF-INIZCTEOSA-N 0 1 331.416 2.994 20 5 EFBDMN O=C([C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1)N1CCCC1 ZINC000331719664 475390647 /nfs/dbraw/zinc/39/06/47/475390647.db2.gz JSYSSJFFYYXULM-AWEZNQCLSA-N 0 1 335.379 2.568 20 5 EFBDMN CCOc1ccc([C@@H](C)N[C@@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000358152873 475444470 /nfs/dbraw/zinc/44/44/70/475444470.db2.gz LEDVLEPNJRPEBS-TZMCWYRMSA-N 0 1 335.404 2.653 20 5 EFBDMN COc1cc(CNc2cnc3onc(C)c3c2)cc([N+](=O)[O-])c1O ZINC000361443379 475453900 /nfs/dbraw/zinc/45/39/00/475453900.db2.gz RRARGMIRBOIUOI-UHFFFAOYSA-N 0 1 330.300 2.766 20 5 EFBDMN CCC(CC)[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)N1CCOCC1 ZINC000348179243 475460115 /nfs/dbraw/zinc/46/01/15/475460115.db2.gz NADWJDINRFBMDZ-INIZCTEOSA-N 0 1 336.436 2.847 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000296748326 475460418 /nfs/dbraw/zinc/46/04/18/475460418.db2.gz AZZCBNSCANPLIW-LLVKDONJSA-N 0 1 325.796 2.805 20 5 EFBDMN O=C1[C@@H](N2CCCC3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000348181790 475465434 /nfs/dbraw/zinc/46/54/34/475465434.db2.gz PHADFWYBESUHQR-INIZCTEOSA-N 0 1 329.400 2.966 20 5 EFBDMN CN1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC000341981978 475475194 /nfs/dbraw/zinc/47/51/94/475475194.db2.gz CLYYWUUDDNJGBL-IBGZPJMESA-N 0 1 325.412 2.954 20 5 EFBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000332033078 475489328 /nfs/dbraw/zinc/48/93/28/475489328.db2.gz IQUUVFJWVQDQSN-LBPRGKRZSA-N 0 1 334.311 2.611 20 5 EFBDMN Cc1[nH]nc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000332049469 475495196 /nfs/dbraw/zinc/49/51/96/475495196.db2.gz ZIZGEDSVFYQSGL-SCZZXKLOSA-N 0 1 332.335 2.913 20 5 EFBDMN C[C@H](NCC(=O)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000296827953 475495518 /nfs/dbraw/zinc/49/55/18/475495518.db2.gz WFKQLVHXWNASFL-AWEZNQCLSA-N 0 1 339.395 2.830 20 5 EFBDMN COc1c(C(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000332241879 475572202 /nfs/dbraw/zinc/57/22/02/475572202.db2.gz AOYLREKQFROQDA-GFCCVEGCSA-N 0 1 344.371 2.655 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C2CCOCC2)C1 ZINC000332266283 475581167 /nfs/dbraw/zinc/58/11/67/475581167.db2.gz BXZASDWOVOLYHM-HNNXBMFYSA-N 0 1 347.415 2.590 20 5 EFBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc2cncn2c1 ZINC000339904884 475604392 /nfs/dbraw/zinc/60/43/92/475604392.db2.gz YPYMELHBXMSKLX-UHFFFAOYSA-N 0 1 338.367 2.995 20 5 EFBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C2CCOCC2)C1 ZINC000332345600 475609011 /nfs/dbraw/zinc/60/90/11/475609011.db2.gz YEUIXQBCKHEFGX-ZFWWWQNUSA-N 0 1 347.415 2.670 20 5 EFBDMN Cn1ncc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000346509894 475621247 /nfs/dbraw/zinc/62/12/47/475621247.db2.gz WSOCKGMPPLMDRC-UHFFFAOYSA-N 0 1 338.323 2.953 20 5 EFBDMN CCOc1ccc([C@@H](C)N[C@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000358376054 475629871 /nfs/dbraw/zinc/62/98/71/475629871.db2.gz RKWORHSHJZGLHG-KOLCDFICSA-N 0 1 336.310 2.957 20 5 EFBDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000332442664 475639820 /nfs/dbraw/zinc/63/98/20/475639820.db2.gz CLKALFSKHBJBLG-ZIAGYGMSSA-N 0 1 349.456 2.772 20 5 EFBDMN CC(C)c1ccc(CN2CC[C@@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000332489681 475650978 /nfs/dbraw/zinc/65/09/78/475650978.db2.gz ACLHBTXOJCVKOZ-ROUUACIJSA-N 0 1 333.432 2.623 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332505956 475655293 /nfs/dbraw/zinc/65/52/93/475655293.db2.gz IEAZKWMTGUDLGV-GJZGRUSLSA-N 0 1 331.416 2.910 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000332505956 475655302 /nfs/dbraw/zinc/65/53/02/475655302.db2.gz IEAZKWMTGUDLGV-GJZGRUSLSA-N 0 1 331.416 2.910 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332505959 475655643 /nfs/dbraw/zinc/65/56/43/475655643.db2.gz IEAZKWMTGUDLGV-HUUCEWRRSA-N 0 1 331.416 2.910 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000332505959 475655648 /nfs/dbraw/zinc/65/56/48/475655648.db2.gz IEAZKWMTGUDLGV-HUUCEWRRSA-N 0 1 331.416 2.910 20 5 EFBDMN C[C@H](NC(=O)N1C[C@H]2CCCCN2C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000332522382 475658966 /nfs/dbraw/zinc/65/89/66/475658966.db2.gz ZSWTUPUGADYXRC-GRDNDAEWSA-N 0 1 346.431 2.924 20 5 EFBDMN C[C@H](C(=O)N1C[C@H]2CCCCN2C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000332631100 475695034 /nfs/dbraw/zinc/69/50/34/475695034.db2.gz UWATUAMXEHCHDD-KCQAQPDRSA-N 0 1 349.406 2.923 20 5 EFBDMN COC(=O)C[C@]1(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000361731166 475703101 /nfs/dbraw/zinc/70/31/01/475703101.db2.gz WBXUTVGDFLZBBJ-QGZVFWFLSA-N 0 1 336.388 2.530 20 5 EFBDMN COc1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])c(OC)n1 ZINC000353147950 475720747 /nfs/dbraw/zinc/72/07/47/475720747.db2.gz FSJKVDAJVFIHBI-FNORWQNLSA-N 0 1 329.356 2.810 20 5 EFBDMN CCCCCN(CCO)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000297373614 475731127 /nfs/dbraw/zinc/73/11/27/475731127.db2.gz CYDBWGGDNQWTCN-UHFFFAOYSA-N 0 1 346.387 2.610 20 5 EFBDMN CN1CC[NH+](CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000338276148 475736146 /nfs/dbraw/zinc/73/61/46/475736146.db2.gz AKXYHQMQFSVIQA-UHFFFAOYSA-N 0 1 346.353 2.663 20 5 EFBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000353186753 475752879 /nfs/dbraw/zinc/75/28/79/475752879.db2.gz WFUVVWNROPSPOV-NSHDSACASA-N 0 1 339.355 2.760 20 5 EFBDMN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@@H]1CCSC1 ZINC000297494791 475780744 /nfs/dbraw/zinc/78/07/44/475780744.db2.gz MRRFVDVGDZDZPA-GFCCVEGCSA-N 0 1 332.385 2.562 20 5 EFBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC=C(C)CC2)c1 ZINC000355309192 475815376 /nfs/dbraw/zinc/81/53/76/475815376.db2.gz CIAYZZINSYXNLA-UHFFFAOYSA-N 0 1 335.429 2.699 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346763894 475837979 /nfs/dbraw/zinc/83/79/79/475837979.db2.gz FNJWSHRASCPCPN-UONOGXRCSA-N 0 1 333.432 2.814 20 5 EFBDMN Cc1nc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297667691 475850260 /nfs/dbraw/zinc/85/02/60/475850260.db2.gz ZQIHCOJZHOACJH-WFASDCNBSA-N 0 1 327.388 2.768 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](c1cccs1)c1nnc[nH]1 ZINC000340228016 475870414 /nfs/dbraw/zinc/87/04/14/475870414.db2.gz FIJNGFPCMACXDK-CQSZACIVSA-N 0 1 345.384 2.662 20 5 EFBDMN COc1cccc2c1CCCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000353324605 475870976 /nfs/dbraw/zinc/87/09/76/475870976.db2.gz CXUIGFFXGFMPHO-UHFFFAOYSA-N 0 1 328.324 2.902 20 5 EFBDMN CCOc1ccc([C@H](C)NCc2cnc(C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000346807832 475875330 /nfs/dbraw/zinc/87/53/30/475875330.db2.gz MORSLVRVEIEXEI-JTQLQIEISA-N 0 1 332.360 2.648 20 5 EFBDMN CCOc1ccc([C@@H](C)NCc2cnc(C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000346807833 475875430 /nfs/dbraw/zinc/87/54/30/475875430.db2.gz MORSLVRVEIEXEI-SNVBAGLBSA-N 0 1 332.360 2.648 20 5 EFBDMN CC[C@H](NC[C@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346825720 475889794 /nfs/dbraw/zinc/88/97/94/475889794.db2.gz ILRJRTXXMYWHIU-CABCVRRESA-N 0 1 326.418 2.603 20 5 EFBDMN CC[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346825740 475889846 /nfs/dbraw/zinc/88/98/46/475889846.db2.gz ILRJRTXXMYWHIU-LSDHHAIUSA-N 0 1 326.418 2.603 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C2CCOCC2)C1 ZINC000361954861 475895491 /nfs/dbraw/zinc/89/54/91/475895491.db2.gz HUGBUIYHLPWURU-OAHLLOKOSA-N 0 1 347.415 2.590 20 5 EFBDMN COCC1(C)CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358745465 475902388 /nfs/dbraw/zinc/90/23/88/475902388.db2.gz OTPULZDWFORWEO-ZDUSSCGKSA-N 0 1 335.404 2.670 20 5 EFBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2nnc[nH]2)c2ccc(F)cc2)cc1 ZINC000340273914 475905611 /nfs/dbraw/zinc/90/56/11/475905611.db2.gz BVFHAYYYUAZPLH-OAHLLOKOSA-N 0 1 327.319 2.731 20 5 EFBDMN C[C@@H]1C[C@@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000353396502 475934676 /nfs/dbraw/zinc/93/46/76/475934676.db2.gz UBLAHAKZXZUDPS-JKIFEVAISA-N 0 1 344.415 2.822 20 5 EFBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000346889462 475941191 /nfs/dbraw/zinc/94/11/91/475941191.db2.gz DNSJGMZKONIIHB-UHFFFAOYSA-N 0 1 327.275 2.771 20 5 EFBDMN CCO[C@H]1COCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000362020421 475941583 /nfs/dbraw/zinc/94/15/83/475941583.db2.gz XKEDOZVSYHTZFR-CVEARBPZSA-N 0 1 347.371 2.533 20 5 EFBDMN O=[N+]([O-])c1cccc(CCN[C@H](c2nnc[nH]2)c2ccc(F)cc2)c1 ZINC000340317322 475941950 /nfs/dbraw/zinc/94/19/50/475941950.db2.gz XFENFWQVCADJNW-INIZCTEOSA-N 0 1 341.346 2.774 20 5 EFBDMN Cc1[nH]nc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1[N+](=O)[O-] ZINC000340333087 475954546 /nfs/dbraw/zinc/95/45/46/475954546.db2.gz OLMRKMQRVVHALM-UHFFFAOYSA-N 0 1 336.258 2.693 20 5 EFBDMN C[C@@H](NCc1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C1 ZINC000355476491 475970340 /nfs/dbraw/zinc/97/03/40/475970340.db2.gz UDQRWBSOKSZCCX-CYBMUJFWSA-N 0 1 325.368 2.615 20 5 EFBDMN C[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C1 ZINC000355476494 475971119 /nfs/dbraw/zinc/97/11/19/475971119.db2.gz UDQRWBSOKSZCCX-ZDUSSCGKSA-N 0 1 325.368 2.615 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000355513264 475997237 /nfs/dbraw/zinc/99/72/37/475997237.db2.gz LIYRNNXENYZAFH-AWEZNQCLSA-N 0 1 339.395 2.924 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000298169770 476006169 /nfs/dbraw/zinc/00/61/69/476006169.db2.gz RSQZVODVJJWCFJ-INIZCTEOSA-N 0 1 339.395 2.908 20 5 EFBDMN COc1cc(CN(C)CC2(O)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000353487246 476011124 /nfs/dbraw/zinc/01/11/24/476011124.db2.gz DKFRRKQHKNPXAD-UHFFFAOYSA-N 0 1 346.330 2.552 20 5 EFBDMN Cn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000343391624 476016245 /nfs/dbraw/zinc/01/62/45/476016245.db2.gz DYLDPXZICGRSEN-ZIAGYGMSSA-N 0 1 336.779 2.602 20 5 EFBDMN CC(C)(C)CCN1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000340441514 476036842 /nfs/dbraw/zinc/03/68/42/476036842.db2.gz ZRAPBZBUBNRLDF-UHFFFAOYSA-N 0 1 349.431 2.554 20 5 EFBDMN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000340508681 476073991 /nfs/dbraw/zinc/07/39/91/476073991.db2.gz YUQYGTWPCMNPBD-DGCLKSJQSA-N 0 1 346.836 2.694 20 5 EFBDMN C[C@@H]1[C@@H](C)N(c2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000356797928 476132121 /nfs/dbraw/zinc/13/21/21/476132121.db2.gz QZEJVOAYLOSBCO-NXEZZACHSA-N 0 1 328.210 2.886 20 5 EFBDMN C[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356783886 476129839 /nfs/dbraw/zinc/12/98/39/476129839.db2.gz UMTVZZQMEDXQTI-LBPRGKRZSA-N 0 1 341.367 2.781 20 5 EFBDMN Cn1ccnc1[C@@H](NCC1(C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000353622570 476131296 /nfs/dbraw/zinc/13/12/96/476131296.db2.gz OEJJFAAEGYUCJC-INIZCTEOSA-N 0 1 344.415 2.824 20 5 EFBDMN C[C@H]1[C@H](C)N(c2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000356797933 476131439 /nfs/dbraw/zinc/13/14/39/476131439.db2.gz QZEJVOAYLOSBCO-UWVGGRQHSA-N 0 1 328.210 2.886 20 5 EFBDMN O=[N+]([O-])c1cc(Br)cc(NCc2n[nH]c(C3CC3)n2)c1 ZINC000340606108 476145976 /nfs/dbraw/zinc/14/59/76/476145976.db2.gz BWWHANZWPHXEDP-UHFFFAOYSA-N 0 1 338.165 2.965 20 5 EFBDMN Cc1cccc(CCCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000359132361 476206880 /nfs/dbraw/zinc/20/68/80/476206880.db2.gz MRJOEIRQXUJJKB-UHFFFAOYSA-N 0 1 339.355 2.537 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000347256236 476209467 /nfs/dbraw/zinc/20/94/67/476209467.db2.gz GFHRMFFOTVNDDU-QMMMGPOBSA-N 0 1 336.327 2.858 20 5 EFBDMN O=C([O-])[C@@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCSC1 ZINC000340699177 476217438 /nfs/dbraw/zinc/21/74/38/476217438.db2.gz REOLOPWFQNACRY-MRXNPFEDSA-N 0 1 348.380 2.905 20 5 EFBDMN CCn1cc(S(=O)(=O)Nc2c(C)cccc2Cl)c([N+](=O)[O-])n1 ZINC000359443071 476234441 /nfs/dbraw/zinc/23/44/41/476234441.db2.gz AFHUWLOSCVEKAH-UHFFFAOYSA-N 0 1 344.780 2.574 20 5 EFBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000344306370 476235137 /nfs/dbraw/zinc/23/51/37/476235137.db2.gz KUOSFQPHMLWLDQ-UHFFFAOYSA-N 0 1 341.302 2.700 20 5 EFBDMN CN(C)C(=O)C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000353749358 476243143 /nfs/dbraw/zinc/24/31/43/476243143.db2.gz FSOMHFBPIKETQO-KRWDZBQOSA-N 0 1 327.384 2.904 20 5 EFBDMN COC(=O)COc1ccc(CNCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000353769503 476260949 /nfs/dbraw/zinc/26/09/49/476260949.db2.gz PPDTVHPIQVVVBU-UHFFFAOYSA-N 0 1 348.330 2.576 20 5 EFBDMN CSc1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000353776877 476265336 /nfs/dbraw/zinc/26/53/36/476265336.db2.gz CCIFCTYUBPFCCE-UHFFFAOYSA-N 0 1 339.398 2.654 20 5 EFBDMN COCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@@H](C)C1 ZINC000357153232 476267005 /nfs/dbraw/zinc/26/70/05/476267005.db2.gz AVZJUXYASSUKTG-NEPJUHHUSA-N 0 1 346.387 2.748 20 5 EFBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000360414708 476301877 /nfs/dbraw/zinc/30/18/77/476301877.db2.gz SFLLITUPDXRBMP-UHFFFAOYSA-N 0 1 336.311 2.908 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1CCC1 ZINC000360602921 476314507 /nfs/dbraw/zinc/31/45/07/476314507.db2.gz ZNBDDWLIBUYXFZ-UHFFFAOYSA-N 0 1 339.200 2.980 20 5 EFBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3ccc4c(c3)CCO4)no2)c1 ZINC000362713463 476361912 /nfs/dbraw/zinc/36/19/12/476361912.db2.gz BJCBZIDHXDAEGA-UHFFFAOYSA-N 0 1 325.280 2.952 20 5 EFBDMN C[C@@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000354024945 476373338 /nfs/dbraw/zinc/37/33/38/476373338.db2.gz WNBAJGMWEDSGPR-CYBMUJFWSA-N 0 1 331.416 2.852 20 5 EFBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000354040884 476385315 /nfs/dbraw/zinc/38/53/15/476385315.db2.gz PDANIFNFCHFARM-NJELEJDNSA-N 0 1 332.400 2.878 20 5 EFBDMN COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CN(CC(C)C)CCO1 ZINC000362820812 476426001 /nfs/dbraw/zinc/42/60/01/476426001.db2.gz RLDZWWDKHZOAKQ-INIZCTEOSA-N 0 1 337.420 2.510 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cccc(SC)c2[N+](=O)[O-])C[C@H]1C ZINC000362829793 476430634 /nfs/dbraw/zinc/43/06/34/476430634.db2.gz YHSMGZWPQYGYPK-VXGBXAGGSA-N 0 1 337.445 2.871 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000360946327 476493359 /nfs/dbraw/zinc/49/33/59/476493359.db2.gz UTZAPCQLDKGULD-OFQRWUPVSA-N 0 1 333.432 2.715 20 5 EFBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1C ZINC000354204736 476502368 /nfs/dbraw/zinc/50/23/68/476502368.db2.gz DUGSHYFHXWCLKL-UHFFFAOYSA-N 0 1 336.369 2.850 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CC=CCC1 ZINC000357633207 476502964 /nfs/dbraw/zinc/50/29/64/476502964.db2.gz KVBZRLCRUUANTC-INIZCTEOSA-N 0 1 331.416 2.542 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000377658935 476503940 /nfs/dbraw/zinc/50/39/40/476503940.db2.gz YTNKVQQDAYLRPD-DZGCQCFKSA-N 0 1 349.822 2.517 20 5 EFBDMN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000374814986 476541340 /nfs/dbraw/zinc/54/13/40/476541340.db2.gz BMPQUGORPIEGOD-AWEZNQCLSA-N 0 1 343.387 2.656 20 5 EFBDMN O=C(C=Cc1cccc([N+](=O)[O-])c1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000374830294 476547424 /nfs/dbraw/zinc/54/74/24/476547424.db2.gz XTBCKNJFFNYDQZ-FVNWOWOISA-N 0 1 349.350 2.632 20 5 EFBDMN Cc1cccc2c(=O)c(C(=O)NCc3ccc([N+](=O)[O-])cc3)c[nH]c12 ZINC000357702329 476547783 /nfs/dbraw/zinc/54/77/83/476547783.db2.gz INXXYHAYQWNJON-UHFFFAOYSA-N 0 1 337.335 2.675 20 5 EFBDMN CN(CCn1cc([N+](=O)[O-])cc(Cl)c1=O)Cc1ccc(F)cc1 ZINC000357736144 476567194 /nfs/dbraw/zinc/56/71/94/476567194.db2.gz UDNXPEIGAKMLAR-UHFFFAOYSA-N 0 1 339.754 2.681 20 5 EFBDMN CCO[C@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C(C)C ZINC000352258865 476592426 /nfs/dbraw/zinc/59/24/26/476592426.db2.gz CBVHLRRTDJKVHE-CYBMUJFWSA-N 0 1 347.375 2.770 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000361120386 476614667 /nfs/dbraw/zinc/61/46/67/476614667.db2.gz BFPFWZUQSSDOON-UHFFFAOYSA-N 0 1 338.299 2.543 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nccn2C)C1 ZINC000365618275 476648150 /nfs/dbraw/zinc/64/81/50/476648150.db2.gz ABKGLHXELMOCQP-ZDUSSCGKSA-N 0 1 330.388 2.717 20 5 EFBDMN CN(C)[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])c1ccco1 ZINC000352351128 476655829 /nfs/dbraw/zinc/65/58/29/476655829.db2.gz SZSAKIYXYXQOTN-HNNXBMFYSA-N 0 1 326.356 2.873 20 5 EFBDMN CC(C)(C(=O)Nc1ccc2[nH]nnc2c1)c1ccc([N+](=O)[O-])cc1F ZINC000357866614 476659265 /nfs/dbraw/zinc/65/92/65/476659265.db2.gz MJZHHESOIBIACY-UHFFFAOYSA-N 0 1 343.318 2.922 20 5 EFBDMN O=[N+]([O-])c1cc(-c2nc(-c3ccc(O)c(F)c3)no2)cc2c1OCO2 ZINC000445481448 476745110 /nfs/dbraw/zinc/74/51/10/476745110.db2.gz PERLZLXQONRCBU-UHFFFAOYSA-N 0 1 345.242 2.885 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCC[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000456857646 476765367 /nfs/dbraw/zinc/76/53/67/476765367.db2.gz CWSUZTKDUJHFRW-HNNXBMFYSA-N 0 1 338.433 2.630 20 5 EFBDMN C[C@H]1CCC(C)(C)N1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000452008393 476772839 /nfs/dbraw/zinc/77/28/39/476772839.db2.gz OWJJGMXTFBXJBG-JTQLQIEISA-N 0 1 335.360 2.525 20 5 EFBDMN COc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc(OC)c1 ZINC000366000322 476807369 /nfs/dbraw/zinc/80/73/69/476807369.db2.gz LVABZGCUZPSYNX-UHFFFAOYSA-N 0 1 346.387 2.646 20 5 EFBDMN Cc1c(CNCc2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000390887473 476808384 /nfs/dbraw/zinc/80/83/84/476808384.db2.gz WXJUOUMYMWRXGR-UHFFFAOYSA-N 0 1 334.397 2.597 20 5 EFBDMN Cc1cccc2ncc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)n21 ZINC000366004121 476811243 /nfs/dbraw/zinc/81/12/43/476811243.db2.gz MQIBYQZOVQNPRT-UHFFFAOYSA-N 0 1 340.387 2.585 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](CCCO)C1 ZINC000452121169 476838963 /nfs/dbraw/zinc/83/89/63/476838963.db2.gz GJDOBRIQPVVLNL-QWHCGFSZSA-N 0 1 346.387 2.800 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H](CCCO)C3)co2)cc1 ZINC000452128653 476848267 /nfs/dbraw/zinc/84/82/67/476848267.db2.gz YEWUOCFVKINOAN-ZDUSSCGKSA-N 0 1 331.372 2.844 20 5 EFBDMN C[C@@H]1[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCCN1C ZINC000446418205 476874087 /nfs/dbraw/zinc/87/40/87/476874087.db2.gz NLYZNPFGSDWCRO-DYVFJYSZSA-N 0 1 349.434 2.894 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)CCc2ccccc2C)c1[N+](=O)[O-] ZINC000452329877 476919359 /nfs/dbraw/zinc/91/93/59/476919359.db2.gz DQTPAVFZLFFAEI-UHFFFAOYSA-N 0 1 330.388 2.894 20 5 EFBDMN COc1ccc(CNC(=O)c2sccc2CN(C)C)cc1[N+](=O)[O-] ZINC000446954623 476937694 /nfs/dbraw/zinc/93/76/94/476937694.db2.gz QSLSDUNDFHDVEA-UHFFFAOYSA-N 0 1 349.412 2.657 20 5 EFBDMN COc1c(C(=O)N2CCN(C)CC23CCCCC3)cccc1[N+](=O)[O-] ZINC000408313257 476945733 /nfs/dbraw/zinc/94/57/33/476945733.db2.gz GXTSEPGFVAKBGZ-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](c2ccco2)C1 ZINC000370839793 477004803 /nfs/dbraw/zinc/00/48/03/477004803.db2.gz RUAPNSTXLZGQNZ-JTQLQIEISA-N 0 1 326.312 2.694 20 5 EFBDMN Cc1[nH]ncc1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000375835250 477036893 /nfs/dbraw/zinc/03/68/93/477036893.db2.gz SJAONSJOINAVFP-UHFFFAOYSA-N 0 1 328.372 2.575 20 5 EFBDMN Cc1ccc(-c2cc(=NC(=O)c3ccc([N+](=O)[O-])cc3F)[nH][nH]2)o1 ZINC000447800540 477058699 /nfs/dbraw/zinc/05/86/99/477058699.db2.gz UIDWWPHWEJZHKQ-UHFFFAOYSA-N 0 1 330.275 2.700 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCN1CCCC1 ZINC000447799342 477059339 /nfs/dbraw/zinc/05/93/39/477059339.db2.gz HTDUEIRXZFUHIF-UHFFFAOYSA-N 0 1 327.768 2.543 20 5 EFBDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000375935090 477090663 /nfs/dbraw/zinc/09/06/63/477090663.db2.gz PVQPHKFZRKQDEM-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN O=C(CCc1cnc[nH]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452852751 477108068 /nfs/dbraw/zinc/10/80/68/477108068.db2.gz NTVDHGBNVJOLHR-AWEZNQCLSA-N 0 1 328.372 2.657 20 5 EFBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000375996592 477124076 /nfs/dbraw/zinc/12/40/76/477124076.db2.gz VPLGXSXSYQQGAS-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN CC(C)OCCN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432314691 477192829 /nfs/dbraw/zinc/19/28/29/477192829.db2.gz PCXJCOMAXVIFDY-UHFFFAOYSA-N 0 1 344.415 2.690 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000457843699 477227815 /nfs/dbraw/zinc/22/78/15/477227815.db2.gz CGVNJLXXFZQYOL-UKRRQHHQSA-N 0 1 334.420 2.782 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000432654290 477245616 /nfs/dbraw/zinc/24/56/16/477245616.db2.gz PHQIYAVNTQOTEG-UHFFFAOYSA-N 0 1 340.742 2.945 20 5 EFBDMN C[C@H](CCCc1cccnc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457902473 477250085 /nfs/dbraw/zinc/25/00/85/477250085.db2.gz CPKWNVDDNBNBNG-GFCCVEGCSA-N 0 1 329.356 2.837 20 5 EFBDMN CO[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000376282528 477267047 /nfs/dbraw/zinc/26/70/47/477267047.db2.gz AWSWKRBQVUEQKK-AWEZNQCLSA-N 0 1 332.360 2.646 20 5 EFBDMN COc1cc(-c2nc(C3(N)CCCCC3)no2)c([N+](=O)[O-])cc1F ZINC000424340784 477376895 /nfs/dbraw/zinc/37/68/95/477376895.db2.gz HQRXSTQXXCFHMA-UHFFFAOYSA-N 0 1 336.323 2.911 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000367206929 477392667 /nfs/dbraw/zinc/39/26/67/477392667.db2.gz VARAVACGQPKMEZ-CQSZACIVSA-N 0 1 348.321 2.753 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)c1 ZINC000367218971 477400489 /nfs/dbraw/zinc/40/04/89/477400489.db2.gz LGLLBURONFXHNT-KBPBESRZSA-N 0 1 347.415 2.692 20 5 EFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000371755468 477479101 /nfs/dbraw/zinc/47/91/01/477479101.db2.gz YDUIVIHKXFZCNL-RAIGVLPGSA-N 0 1 328.290 2.687 20 5 EFBDMN CC(C)[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000413043817 477483694 /nfs/dbraw/zinc/48/36/94/477483694.db2.gz NTGMEWURXWSMDK-KRWDZBQOSA-N 0 1 344.415 2.912 20 5 EFBDMN O=[N+]([O-])c1ccc(NCCCCN2CCOCC2)c2cccnc21 ZINC000413058373 477492901 /nfs/dbraw/zinc/49/29/01/477492901.db2.gz HRXWYKYSRURKRB-UHFFFAOYSA-N 0 1 330.388 2.667 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000455092218 477495700 /nfs/dbraw/zinc/49/57/00/477495700.db2.gz JMFVRHBFSHYPOD-MJBXVCDLSA-N 0 1 334.420 2.780 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000458690474 477548991 /nfs/dbraw/zinc/54/89/91/477548991.db2.gz LASWFTBDAZFCKR-ZDUSSCGKSA-N 0 1 334.420 2.529 20 5 EFBDMN COc1ccc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000367605470 477597695 /nfs/dbraw/zinc/59/76/95/477597695.db2.gz DHBVVLDGISSSFV-SFHVURJKSA-N 0 1 346.358 2.836 20 5 EFBDMN COc1cc(CN2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000372009603 477598720 /nfs/dbraw/zinc/59/87/20/477598720.db2.gz KXLSTWILMVRQMS-ZDUSSCGKSA-N 0 1 338.379 2.991 20 5 EFBDMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436957447 477646635 /nfs/dbraw/zinc/64/66/35/477646635.db2.gz UULRBDHZGWCEPO-AWEZNQCLSA-N 0 1 335.404 2.685 20 5 EFBDMN C[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCCCC1 ZINC000436956070 477647739 /nfs/dbraw/zinc/64/77/39/477647739.db2.gz KZLPKXXQZMLTHW-UHFFFAOYSA-N 0 1 335.404 2.685 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H]([C@@H]4CCOC4)C3)o2)cc1 ZINC000372156364 477667303 /nfs/dbraw/zinc/66/73/03/477667303.db2.gz JYQNSVBJGVUQHU-UONOGXRCSA-N 0 1 344.371 2.503 20 5 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CC(C)C1CCC(N2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000439986220 478058233 /nfs/dbraw/zinc/05/82/33/478058233.db2.gz WRJAQRRTOQSDHU-UHFFFAOYSA-N 0 1 348.447 2.896 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CCO)CC1 ZINC000533282312 478060375 /nfs/dbraw/zinc/06/03/75/478060375.db2.gz JQEYWFMQCCYRBU-GFCCVEGCSA-N 0 1 346.387 2.800 20 5 EFBDMN CO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000451539203 478074050 /nfs/dbraw/zinc/07/40/50/478074050.db2.gz FGMBNTBKSWUKFV-SMDDNHRTSA-N 0 1 332.360 2.502 20 5 EFBDMN CO[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000451539203 478074057 /nfs/dbraw/zinc/07/40/57/478074057.db2.gz FGMBNTBKSWUKFV-SMDDNHRTSA-N 0 1 332.360 2.502 20 5 EFBDMN CC(=O)N[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000421398376 478074721 /nfs/dbraw/zinc/07/47/21/478074721.db2.gz YXNCQSQUUTVVKO-ZDUSSCGKSA-N 0 1 329.356 2.565 20 5 EFBDMN COc1ccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000451546858 478081887 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331.353 2.902 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000597604055 478429267 /nfs/dbraw/zinc/42/92/67/478429267.db2.gz JFYBDFANUSZAHU-BBWFWOEESA-N 0 1 348.399 2.846 20 5 EFBDMN CC[C@@H]1CN(C)CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597606604 478430644 /nfs/dbraw/zinc/43/06/44/478430644.db2.gz XXBRFMLRJTWGGV-CYBMUJFWSA-N 0 1 331.372 2.897 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C(C)(C)C1 ZINC000570738388 478434985 /nfs/dbraw/zinc/43/49/85/478434985.db2.gz CYFDUHGRWYZWNN-OAHLLOKOSA-N 0 1 333.432 2.716 20 5 EFBDMN COc1ccc(NC(=O)CN2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591061816 478446240 /nfs/dbraw/zinc/44/62/40/478446240.db2.gz JTPRSIQEQSGQJV-ZDUSSCGKSA-N 0 1 333.388 2.664 20 5 EFBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c([C@H]3CCCO3)n2)c2ncccc12 ZINC000594589792 478450820 /nfs/dbraw/zinc/45/08/20/478450820.db2.gz ORZAKQSNXZKOQM-CYBMUJFWSA-N 0 1 340.343 2.725 20 5 EFBDMN CCOc1cc(C[N@@H+]2CCc3occc3[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000600673847 478462384 /nfs/dbraw/zinc/46/23/84/478462384.db2.gz JEYMYVYUTRTGNQ-INIZCTEOSA-N 0 1 346.339 2.771 20 5 EFBDMN CCOc1cc(C[N@H+]2CCc3occc3[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000600673847 478462393 /nfs/dbraw/zinc/46/23/93/478462393.db2.gz JEYMYVYUTRTGNQ-INIZCTEOSA-N 0 1 346.339 2.771 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000600675641 478463893 /nfs/dbraw/zinc/46/38/93/478463893.db2.gz QVHDACGVBQXTNI-ZACQAIPSSA-N 0 1 348.399 2.939 20 5 EFBDMN COc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000563282688 478504999 /nfs/dbraw/zinc/50/49/99/478504999.db2.gz KBQYGONKOCTBPJ-MRXNPFEDSA-N 0 1 342.351 2.615 20 5 EFBDMN CO[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000594720669 478513317 /nfs/dbraw/zinc/51/33/17/478513317.db2.gz NRSIKDKATAJZNN-OAHLLOKOSA-N 0 1 342.417 2.850 20 5 EFBDMN Cc1ccc(-c2ccc(C(=O)N3CCNCC3)cc2)cc1[N+](=O)[O-] ZINC000600790627 478524436 /nfs/dbraw/zinc/52/44/36/478524436.db2.gz LXOHMTPKRACLGR-UHFFFAOYSA-N 0 1 325.368 2.616 20 5 EFBDMN Cc1ccc2c(c1)CN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])CC2 ZINC000597964521 478598112 /nfs/dbraw/zinc/59/81/12/478598112.db2.gz DRCQPOXXLPFOIM-UHFFFAOYSA-N 0 1 328.372 2.948 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccsc1 ZINC000600991632 478602383 /nfs/dbraw/zinc/60/23/83/478602383.db2.gz HQBHCGQNKWAUBS-CYBMUJFWSA-N 0 1 337.376 2.828 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN[C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000563667355 478613608 /nfs/dbraw/zinc/61/36/08/478613608.db2.gz RHOFQLCRYWACFR-CQSZACIVSA-N 0 1 345.384 2.532 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC(=O)Nc1ccccn1 ZINC000595005104 478625617 /nfs/dbraw/zinc/62/56/17/478625617.db2.gz CSHUSIXIBAMPFP-GFCCVEGCSA-N 0 1 344.371 2.678 20 5 EFBDMN C[C@@H](NCC1(S(C)(=O)=O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595076018 478652867 /nfs/dbraw/zinc/65/28/67/478652867.db2.gz COWLPZTYGHJAMA-CYBMUJFWSA-N 0 1 340.445 2.993 20 5 EFBDMN NC1(c2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)CCCCC1 ZINC000582719994 478667018 /nfs/dbraw/zinc/66/70/18/478667018.db2.gz UDACFJGVBNTXJF-UHFFFAOYSA-N 0 1 346.343 2.534 20 5 EFBDMN C[C@]1(c2ccccc2)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000542810911 478692424 /nfs/dbraw/zinc/69/24/24/478692424.db2.gz PZEGPOXKSDLAFF-GOSISDBHSA-N 0 1 342.351 2.688 20 5 EFBDMN CCN(CC)C(=O)CN1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000601181928 478710110 /nfs/dbraw/zinc/71/01/10/478710110.db2.gz OXKIQJISYJZPID-UHFFFAOYSA-N 0 1 348.447 2.648 20 5 EFBDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491861575 478712561 /nfs/dbraw/zinc/71/25/61/478712561.db2.gz VIWJQBYNHDKIMA-WGCVJFFOSA-N 0 1 329.400 2.693 20 5 EFBDMN CC(C)(C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000543684680 478766526 /nfs/dbraw/zinc/76/65/26/478766526.db2.gz QTYYTPCNYQMLBN-SNVBAGLBSA-N 0 1 340.323 2.850 20 5 EFBDMN C[C@H](NC[C@H](n1cncn1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601295647 478771383 /nfs/dbraw/zinc/77/13/83/478771383.db2.gz ZEKHCRXWXWHIPC-CABZTGNLSA-N 0 1 329.282 2.641 20 5 EFBDMN Cc1cccc([C@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000543739902 478779275 /nfs/dbraw/zinc/77/92/75/478779275.db2.gz LHCVRFYQMMWWBV-MRXNPFEDSA-N 0 1 327.340 2.981 20 5 EFBDMN CC[C@H]1CN(C)CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000572219900 478779751 /nfs/dbraw/zinc/77/97/51/478779751.db2.gz GUZFLWXDIUYZER-INIZCTEOSA-N 0 1 348.447 2.653 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nnc(CN[C@@H](CO)C3CCCCC3)o2)cc1 ZINC000543838887 478791260 /nfs/dbraw/zinc/79/12/60/478791260.db2.gz IISLKWAADSKAHV-HNNXBMFYSA-N 0 1 346.387 2.676 20 5 EFBDMN O=C([O-])c1ccccc1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000583209357 478793417 /nfs/dbraw/zinc/79/34/17/478793417.db2.gz MTGOVIBCOWVZHC-UHFFFAOYSA-N 0 1 326.352 2.894 20 5 EFBDMN CN(c1ccccc1)[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000598378064 478794817 /nfs/dbraw/zinc/79/48/17/478794817.db2.gz FOKQDLFZGVKKAX-HNNXBMFYSA-N 0 1 341.367 2.651 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN[C@@H](CCO)c2ccccc2F)c1 ZINC000592160399 478806472 /nfs/dbraw/zinc/80/64/72/478806472.db2.gz JTDGEMYFRIKVIN-KRWDZBQOSA-N 0 1 334.347 2.826 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1ccccn1 ZINC000544144169 478811721 /nfs/dbraw/zinc/81/17/21/478811721.db2.gz ZQOYGIQIQMVASS-HOCLYGCPSA-N 0 1 343.383 2.567 20 5 EFBDMN C[C@H]1CC2(CN1Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CCOCC2 ZINC000592182957 478814856 /nfs/dbraw/zinc/81/48/56/478814856.db2.gz DUAYLRPDHMLBLZ-LBPRGKRZSA-N 0 1 330.388 2.862 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC2(C[C@H]1C)CCOCC2 ZINC000592182171 478815507 /nfs/dbraw/zinc/81/55/07/478815507.db2.gz LAPQEULJILIUTJ-CQSZACIVSA-N 0 1 347.415 2.733 20 5 EFBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC2(C[C@H]1C)CCOCC2 ZINC000592183594 478816416 /nfs/dbraw/zinc/81/64/16/478816416.db2.gz URXNCEMUCUPZKU-KGLIPLIRSA-N 0 1 347.415 2.813 20 5 EFBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC2(C[C@@H]1C)CCOCC2 ZINC000592183592 478817648 /nfs/dbraw/zinc/81/76/48/478817648.db2.gz URXNCEMUCUPZKU-KBPBESRZSA-N 0 1 347.415 2.813 20 5 EFBDMN O=C([O-])c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000583386076 478840476 /nfs/dbraw/zinc/84/04/76/478840476.db2.gz FYNQQWFVRIWPJM-UHFFFAOYSA-N 0 1 347.396 2.677 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H](OC)C(C)C ZINC000592352824 478865415 /nfs/dbraw/zinc/86/54/15/478865415.db2.gz QXMCKPBYPSUHGZ-CQSZACIVSA-N 0 1 330.406 2.570 20 5 EFBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000592374548 478872039 /nfs/dbraw/zinc/87/20/39/478872039.db2.gz KTDSOSLGJTWHPM-HNNXBMFYSA-N 0 1 333.413 2.841 20 5 EFBDMN CN(C)c1ccccc1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000505604551 478876413 /nfs/dbraw/zinc/87/64/13/478876413.db2.gz RQJICVJFZGISIH-UHFFFAOYSA-N 0 1 340.427 2.983 20 5 EFBDMN CCC(CC)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000598581820 478909873 /nfs/dbraw/zinc/90/98/73/478909873.db2.gz ITIAQOPOIZUVAO-UHFFFAOYSA-N 0 1 334.351 2.945 20 5 EFBDMN Cc1cc(N2CCC[N@H+](C(C)(C)C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000583696291 478920125 /nfs/dbraw/zinc/92/01/25/478920125.db2.gz MVVDTOYPNVTPHM-UHFFFAOYSA-N 0 1 335.404 2.912 20 5 EFBDMN O=C([O-])[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000565112954 478920184 /nfs/dbraw/zinc/92/01/84/478920184.db2.gz UJBWNHJEZJOFNJ-QZTJIDSGSA-N 0 1 340.379 2.938 20 5 EFBDMN CCc1[nH]nc(C(=O)[N-]c2c[nH+]ccc2NC(CC)CC)c1[N+](=O)[O-] ZINC000583703321 478921530 /nfs/dbraw/zinc/92/15/30/478921530.db2.gz UDBIKTZBNHNHPB-UHFFFAOYSA-N 0 1 346.391 2.550 20 5 EFBDMN C[C@H](CO)[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595672416 478926634 /nfs/dbraw/zinc/92/66/34/478926634.db2.gz IZTLNBCISFLTME-DOMZBBRYSA-N 0 1 346.387 2.628 20 5 EFBDMN CC(C)Oc1nc(N2CC[N@H+]([C@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000565227073 478957178 /nfs/dbraw/zinc/95/71/78/478957178.db2.gz VAFUGCGZJJJMOX-DZKIICNBSA-N 0 1 348.447 2.944 20 5 EFBDMN O=C(C=Cc1cccc([N+](=O)[O-])c1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000492448249 478994477 /nfs/dbraw/zinc/99/44/77/478994477.db2.gz XTBCKNJFFNYDQZ-IBSYWUHOSA-N 0 1 349.350 2.632 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC[C@@H]1C1CCC1 ZINC000565420357 479003489 /nfs/dbraw/zinc/00/34/89/479003489.db2.gz FMUQSJSULUSXOK-QGZVFWFLSA-N 0 1 347.415 2.733 20 5 EFBDMN COc1cc(CN2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000546103320 479006321 /nfs/dbraw/zinc/00/63/21/479006321.db2.gz MYXAWIRNTPUQFK-HNNXBMFYSA-N 0 1 346.330 2.552 20 5 EFBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC2(CCCC2)O1 ZINC000592736701 479020196 /nfs/dbraw/zinc/02/01/96/479020196.db2.gz SVWORMIZSJCJDW-LLVKDONJSA-N 0 1 344.371 2.645 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3ccncc3)C2)c2c(c1)COCO2 ZINC000584151314 479028411 /nfs/dbraw/zinc/02/84/11/479028411.db2.gz YAGMZEDULVHRQP-AWEZNQCLSA-N 0 1 341.367 2.846 20 5 EFBDMN C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]1(C)CO ZINC000595875112 479044129 /nfs/dbraw/zinc/04/41/29/479044129.db2.gz PLZXCXRRFUIHFI-YVEFUNNKSA-N 0 1 331.372 2.700 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595880410 479047866 /nfs/dbraw/zinc/04/78/66/479047866.db2.gz YSQAHWGSNLPEKA-PSTGCABASA-N 0 1 346.387 2.656 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](C)[C@](C)(CO)C1 ZINC000595880409 479048137 /nfs/dbraw/zinc/04/81/37/479048137.db2.gz YSQAHWGSNLPEKA-JKDFXYPNSA-N 0 1 346.387 2.656 20 5 EFBDMN CCCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592828133 479062618 /nfs/dbraw/zinc/06/26/18/479062618.db2.gz CWPIJPXQARFJPZ-INIZCTEOSA-N 0 1 347.415 2.500 20 5 EFBDMN CCOc1ccc(NC(=O)CN(C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595912374 479065423 /nfs/dbraw/zinc/06/54/23/479065423.db2.gz KRPMCUVBZIGULT-LBPRGKRZSA-N 0 1 335.404 2.910 20 5 EFBDMN CCCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000592833330 479066002 /nfs/dbraw/zinc/06/60/02/479066002.db2.gz YROQMXUAFMGPDD-AWEZNQCLSA-N 0 1 337.445 2.630 20 5 EFBDMN CN1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000573455663 479072640 /nfs/dbraw/zinc/07/26/40/479072640.db2.gz MILBMEYEFXNXHA-UHFFFAOYSA-N 0 1 333.432 2.924 20 5 EFBDMN Cc1ncc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000601930878 479079495 /nfs/dbraw/zinc/07/94/95/479079495.db2.gz AOGDTLKRSCLXSX-YGRLFVJLSA-N 0 1 346.412 2.816 20 5 EFBDMN CC1(C)CCN(CC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000573503745 479082216 /nfs/dbraw/zinc/08/22/16/479082216.db2.gz DWPVLHUHPMAHBS-UHFFFAOYSA-N 0 1 325.796 2.596 20 5 EFBDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000598936110 479089730 /nfs/dbraw/zinc/08/97/30/479089730.db2.gz JXYDGGRJXUKYCM-BLLLJJGKSA-N 0 1 342.399 2.685 20 5 EFBDMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000601962155 479096213 /nfs/dbraw/zinc/09/62/13/479096213.db2.gz BUSJCFVFEBIREI-KRWDZBQOSA-N 0 1 344.367 2.904 20 5 EFBDMN Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592978955 479114639 /nfs/dbraw/zinc/11/46/39/479114639.db2.gz UAQUOJLALLZIRC-GXTWGEPZSA-N 0 1 333.388 2.522 20 5 EFBDMN Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592978958 479115337 /nfs/dbraw/zinc/11/53/37/479115337.db2.gz UAQUOJLALLZIRC-TZMCWYRMSA-N 0 1 333.388 2.522 20 5 EFBDMN Cc1cc(NC[C@H](C(C)C)N2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000596069704 479120074 /nfs/dbraw/zinc/12/00/74/479120074.db2.gz ISHHPSIMSFRDCR-CQSZACIVSA-N 0 1 326.466 2.649 20 5 EFBDMN COCC[C@]1(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000515175488 479127616 /nfs/dbraw/zinc/12/76/16/479127616.db2.gz PIRVEGOZVYDVSX-KRWDZBQOSA-N 0 1 347.371 2.535 20 5 EFBDMN C[N@H+]1CCC[C@@]2(CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000493751573 479144961 /nfs/dbraw/zinc/14/49/61/479144961.db2.gz VMFPWURZCUXHOK-MJICGBHWSA-N 0 1 347.390 2.691 20 5 EFBDMN C[C@@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)CN1CCOCC1 ZINC000596134680 479157776 /nfs/dbraw/zinc/15/77/76/479157776.db2.gz OCCQIVSCROGILJ-NSHDSACASA-N 0 1 347.337 2.994 20 5 EFBDMN CCC(CC)(CC(=O)OC)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610762411 479180431 /nfs/dbraw/zinc/18/04/31/479180431.db2.gz MPSWWWYUGWXGFF-UHFFFAOYSA-N 0 1 335.360 2.948 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCc2c1cnn2CCO ZINC000610803590 479192484 /nfs/dbraw/zinc/19/24/84/479192484.db2.gz LYCPKMAUZGPDFI-DYVFJYSZSA-N 0 1 344.415 2.820 20 5 EFBDMN CCN(CCNc1c(Cl)cncc1[N+](=O)[O-])CCC(F)(F)F ZINC000596209880 479200981 /nfs/dbraw/zinc/20/09/81/479200981.db2.gz IFIKEODHPZKCKP-UHFFFAOYSA-N 0 1 340.733 2.751 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574042815 479203585 /nfs/dbraw/zinc/20/35/85/479203585.db2.gz PYSSCRYFEUYWGZ-IAQYHMDHSA-N 0 1 344.371 2.502 20 5 EFBDMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574053594 479207523 /nfs/dbraw/zinc/20/75/23/479207523.db2.gz QADRAWBLMMSQET-HIFRSBDPSA-N 0 1 342.399 2.903 20 5 EFBDMN C[N@@H+](Cc1ccccc1)C1CN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596232996 479214898 /nfs/dbraw/zinc/21/48/98/479214898.db2.gz VPLDALHCBPYAEC-UHFFFAOYSA-N 0 1 332.791 2.964 20 5 EFBDMN CN(Cc1ccccc1)C1CN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596232996 479214905 /nfs/dbraw/zinc/21/49/05/479214905.db2.gz VPLDALHCBPYAEC-UHFFFAOYSA-N 0 1 332.791 2.964 20 5 EFBDMN Cc1[nH]ncc1CN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602175050 479218008 /nfs/dbraw/zinc/21/80/08/479218008.db2.gz ZPAMXSWXAOMKOF-UHFFFAOYSA-N 0 1 342.277 2.917 20 5 EFBDMN CCO[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCCC2 ZINC000610891482 479225278 /nfs/dbraw/zinc/22/52/78/479225278.db2.gz QQMARFGTWHXWPO-CABCVRRESA-N 0 1 334.372 2.768 20 5 EFBDMN CC(=O)N(C)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000610891431 479225310 /nfs/dbraw/zinc/22/53/10/479225310.db2.gz NBBNNPKWFAZQOL-UHFFFAOYSA-N 0 1 329.312 2.535 20 5 EFBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@@H]2C)c1 ZINC000593186931 479228856 /nfs/dbraw/zinc/22/88/56/479228856.db2.gz BKIJGONLOBTGRH-UTUOFQBUSA-N 0 1 337.445 2.870 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000593187639 479228916 /nfs/dbraw/zinc/22/89/16/479228916.db2.gz NGVFABHYZGZEOG-JHJVBQTASA-N 0 1 337.445 2.626 20 5 EFBDMN C[C@@H]1CN(c2cccc(Cl)c2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000584787333 479242476 /nfs/dbraw/zinc/24/24/76/479242476.db2.gz CNQOLADSAUANDL-CYBMUJFWSA-N 0 1 349.822 2.655 20 5 EFBDMN CC(C)N(CC[C@@H]1CCS(=O)(=O)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000611170480 479300270 /nfs/dbraw/zinc/30/02/70/479300270.db2.gz OBNFVPKTSUSHSG-OAHLLOKOSA-N 0 1 340.445 2.630 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(CNCc3cccc(-n4cccn4)c3)nc2c1 ZINC000574633039 479320576 /nfs/dbraw/zinc/32/05/76/479320576.db2.gz IFOGNAHEQGCHRV-UHFFFAOYSA-N 0 1 348.366 2.947 20 5 EFBDMN CCCC(=O)NC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611261244 479327491 /nfs/dbraw/zinc/32/74/91/479327491.db2.gz ZLWOQZQLPGQNKT-YVMONPNESA-N 0 1 331.416 2.989 20 5 EFBDMN CCO[C@@H]1C[C@@H](O)C12CCN(C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000611273848 479333301 /nfs/dbraw/zinc/33/33/01/479333301.db2.gz OMUHAOHWQGJOSU-DIWYCERUSA-N 0 1 346.427 2.860 20 5 EFBDMN COc1cc(CN(C)CC2(C)COC2)c([N+](=O)[O-])cc1OC(F)F ZINC000599571687 479337097 /nfs/dbraw/zinc/33/70/97/479337097.db2.gz QIRNQWPKHRZOAI-UHFFFAOYSA-N 0 1 346.330 2.673 20 5 EFBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000611287302 479338309 /nfs/dbraw/zinc/33/83/09/479338309.db2.gz KQGQXHVFKDWONE-SUMWQHHRSA-N 0 1 331.416 2.749 20 5 EFBDMN CCOc1ccc([C@@H](C)NCC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000611335744 479350723 /nfs/dbraw/zinc/35/07/23/479350723.db2.gz YRHIVTGAPGIMIK-GFCCVEGCSA-N 0 1 335.404 2.703 20 5 EFBDMN CNC(=O)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602471814 479351867 /nfs/dbraw/zinc/35/18/67/479351867.db2.gz JEZVOPSNWLGGJQ-LLVKDONJSA-N 0 1 345.321 2.572 20 5 EFBDMN NC(=O)C[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602483485 479360794 /nfs/dbraw/zinc/36/07/94/479360794.db2.gz RKFJPJGUHKZWRR-SNVBAGLBSA-N 0 1 345.321 2.701 20 5 EFBDMN CNC(=O)CCCN(C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602485808 479362156 /nfs/dbraw/zinc/36/21/56/479362156.db2.gz NRTSGPUEYLMFFU-UHFFFAOYSA-N 0 1 333.310 2.572 20 5 EFBDMN C[C@H]1COCCN1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000603402143 479372394 /nfs/dbraw/zinc/37/23/94/479372394.db2.gz NBTDNGPZSNAGGZ-LBPRGKRZSA-N 0 1 339.823 2.938 20 5 EFBDMN CCOc1cc(N2CCC(N3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000603404441 479373553 /nfs/dbraw/zinc/37/35/53/479373553.db2.gz ZHGPPDXTCZXDQQ-AWEZNQCLSA-N 0 1 349.431 2.683 20 5 EFBDMN CO[C@H]1CCCC[C@H]1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000603416250 479379476 /nfs/dbraw/zinc/37/94/76/479379476.db2.gz RXBAWRNIMOWKBJ-UONOGXRCSA-N 0 1 328.390 2.603 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCO[C@H](c2ccccc2)C1 ZINC000611556097 479414953 /nfs/dbraw/zinc/41/49/53/479414953.db2.gz CNRKLLSJGAAXPQ-KRWDZBQOSA-N 0 1 342.351 2.904 20 5 EFBDMN CC(C)(C)OC(=O)CCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611559716 479415798 /nfs/dbraw/zinc/41/57/98/479415798.db2.gz KZPRCVDCYALRMD-UHFFFAOYSA-N 0 1 338.360 2.542 20 5 EFBDMN CCO[C@@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1OC ZINC000602614786 479424914 /nfs/dbraw/zinc/42/49/14/479424914.db2.gz DCUQGTULEFNMJH-YUTCNCBUSA-N 0 1 348.321 2.896 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000593738179 479440098 /nfs/dbraw/zinc/44/00/98/479440098.db2.gz OQPCOHUAAFNUHK-KRWDZBQOSA-N 0 1 334.372 2.686 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000593740990 479441991 /nfs/dbraw/zinc/44/19/91/479441991.db2.gz GIWWREVHJLMVMW-HNNXBMFYSA-N 0 1 334.372 2.684 20 5 EFBDMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000593749085 479446179 /nfs/dbraw/zinc/44/61/79/479446179.db2.gz PMKRRTUCRIXBHU-MAZHCROVSA-N 0 1 334.372 2.549 20 5 EFBDMN O=C([O-])c1cccc2c1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000593752546 479447627 /nfs/dbraw/zinc/44/76/27/479447627.db2.gz OGPJBCBVYMYOLT-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN COCCc1ncc(CN(C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000602649058 479448228 /nfs/dbraw/zinc/44/82/28/479448228.db2.gz GVFKOLNSZDXIRJ-UHFFFAOYSA-N 0 1 335.429 2.915 20 5 EFBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000593754299 479449115 /nfs/dbraw/zinc/44/91/15/479449115.db2.gz VGBAWYRBJWXKKG-MRXNPFEDSA-N 0 1 331.328 2.546 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCC(F)(F)C1 ZINC000593789941 479461408 /nfs/dbraw/zinc/46/14/08/479461408.db2.gz ZCOOQVCPVPMAED-UHFFFAOYSA-N 0 1 336.298 2.856 20 5 EFBDMN COC(=O)[C@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602718023 479501600 /nfs/dbraw/zinc/50/16/00/479501600.db2.gz TYSBIMBTDIDGAI-HOMQSWHASA-N 0 1 332.278 2.655 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1cnccc1C ZINC000611939340 479527003 /nfs/dbraw/zinc/52/70/03/479527003.db2.gz JFUAQRJCHIAWKH-CYBMUJFWSA-N 0 1 328.372 2.896 20 5 EFBDMN Cc1ccncc1[C@@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611939816 479527087 /nfs/dbraw/zinc/52/70/87/479527087.db2.gz OYDZRQBXZKOTKQ-CYBMUJFWSA-N 0 1 340.383 2.538 20 5 EFBDMN Cc1ccncc1[C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611939264 479527734 /nfs/dbraw/zinc/52/77/34/479527734.db2.gz GLKXQPGNUIHZBZ-ZDUSSCGKSA-N 0 1 340.383 2.538 20 5 EFBDMN Cc1ccncc1[C@@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611940368 479528364 /nfs/dbraw/zinc/52/83/64/479528364.db2.gz ZFCGDJJTAIHFFF-CHWSQXEVSA-N 0 1 328.372 2.976 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cnccc1C ZINC000611940345 479529039 /nfs/dbraw/zinc/52/90/39/479529039.db2.gz YCNYTBHUZXMNQO-LBPRGKRZSA-N 0 1 344.371 2.596 20 5 EFBDMN O=[N+]([O-])c1ccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c(F)c1 ZINC000589521358 479537088 /nfs/dbraw/zinc/53/70/88/479537088.db2.gz ULKZDTCYQCIEKO-JKSUJKDBSA-N 0 1 338.379 2.534 20 5 EFBDMN O=[N+]([O-])c1ccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)c(F)c1 ZINC000589521356 479537747 /nfs/dbraw/zinc/53/77/47/479537747.db2.gz ULKZDTCYQCIEKO-HZPDHXFCSA-N 0 1 338.379 2.534 20 5 EFBDMN C[C@H]1CN(c2cccc(Cl)c2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000593994242 479538161 /nfs/dbraw/zinc/53/81/61/479538161.db2.gz XFRVWLPYJJNBPV-ZDUSSCGKSA-N 0 1 349.822 2.655 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(OC)c1 ZINC000589559302 479540201 /nfs/dbraw/zinc/54/02/01/479540201.db2.gz CIPVJPKSFKFYNZ-UHFFFAOYSA-N 0 1 336.369 2.967 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000576155846 479552162 /nfs/dbraw/zinc/55/21/62/479552162.db2.gz KANIZHLSTPCOTJ-LNSITVRQSA-N 0 1 344.371 2.817 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)c1[N+](=O)[O-] ZINC000600182793 479567583 /nfs/dbraw/zinc/56/75/83/479567583.db2.gz HXOQVAMLBQGSCD-RKDXNWHRSA-N 0 1 330.335 2.634 20 5 EFBDMN C[C@@H](O)CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000594063625 479575108 /nfs/dbraw/zinc/57/51/08/479575108.db2.gz JYPOAFFVVHPXHZ-SECBINFHSA-N 0 1 329.194 2.703 20 5 EFBDMN Cc1ncc([N+](=O)[O-])n1CCN1Cc2ccccc2OC(C)(C)C1 ZINC000602827268 479578902 /nfs/dbraw/zinc/57/89/02/479578902.db2.gz CFPBPATZVKXQRV-UHFFFAOYSA-N 0 1 330.388 2.773 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602890325 479613284 /nfs/dbraw/zinc/61/32/84/479613284.db2.gz HFPKKNCTYHFIMZ-HZPDHXFCSA-N 0 1 338.379 2.534 20 5 EFBDMN CC(C)c1ccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000597204674 479619355 /nfs/dbraw/zinc/61/93/55/479619355.db2.gz CTDBZZVWTBBAMD-GOEBONIOSA-N 0 1 331.416 2.819 20 5 EFBDMN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1COCCO1 ZINC000597205278 479619611 /nfs/dbraw/zinc/61/96/11/479619611.db2.gz IDNKOBQMMXXILW-MRXNPFEDSA-N 0 1 332.356 2.702 20 5 EFBDMN O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594195113 479626088 /nfs/dbraw/zinc/62/60/88/479626088.db2.gz CCGQMLURLYMMEX-MLHJIOFPSA-N 0 1 343.427 2.831 20 5 EFBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CN(C)C2)C1 ZINC000590335663 479632676 /nfs/dbraw/zinc/63/26/76/479632676.db2.gz TXNHZMXFYMLHDA-UHFFFAOYSA-N 0 1 349.456 2.873 20 5 EFBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1n[nH]c2cc(O)ccc21 ZINC000590557495 479659012 /nfs/dbraw/zinc/65/90/12/479659012.db2.gz BQZNILQBOYYGHZ-UHFFFAOYSA-N 0 1 341.327 2.617 20 5 EFBDMN CO[C@]1(C)CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000619433482 479788249 /nfs/dbraw/zinc/78/82/49/479788249.db2.gz MGXVPQSBPUVXTA-QGZVFWFLSA-N 0 1 336.388 2.757 20 5 EFBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000619466235 479802454 /nfs/dbraw/zinc/80/24/54/479802454.db2.gz ACWFVFQNICFVAB-UHFFFAOYSA-N 0 1 340.332 2.852 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1CN(CCO)CCc1ccccc1 ZINC000619531606 479820589 /nfs/dbraw/zinc/82/05/89/479820589.db2.gz NLROPWOGPSEPFI-UHFFFAOYSA-N 0 1 330.384 2.640 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(N(C)C)ccn2)c1 ZINC000619584137 479835645 /nfs/dbraw/zinc/83/56/45/479835645.db2.gz NBPFYJVIZMYJBZ-UHFFFAOYSA-N 0 1 344.371 2.772 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCCc3sccc3C2)c1[N+](=O)[O-] ZINC000609478987 480165014 /nfs/dbraw/zinc/16/50/14/480165014.db2.gz BRPFKPTZUXTTCH-UHFFFAOYSA-N 0 1 334.401 2.921 20 5 EFBDMN O=C1[C@@H](N2CC[C@@H](c3ccco3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000609539897 480172446 /nfs/dbraw/zinc/17/24/46/480172446.db2.gz HEUNNJYUAUCRRD-CJNGLKHVSA-N 0 1 341.367 2.783 20 5 EFBDMN CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000609631792 480192156 /nfs/dbraw/zinc/19/21/56/480192156.db2.gz YZIOIDVOPLFXID-NSHDSACASA-N 0 1 341.795 2.545 20 5 EFBDMN CC(C)(CO)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000609839728 480211727 /nfs/dbraw/zinc/21/17/27/480211727.db2.gz GJJZXXYFVDEQAN-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(CN(CCO)CCc3ccccc3)nc2c1 ZINC000618281988 480603067 /nfs/dbraw/zinc/60/30/67/480603067.db2.gz BSOMGBHVWSBBDE-UHFFFAOYSA-N 0 1 340.383 2.508 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H](C4CCOCC4)C3)nc2c1 ZINC000618288446 480608640 /nfs/dbraw/zinc/60/86/40/480608640.db2.gz RTUPOTDOZVHWIZ-CYBMUJFWSA-N 0 1 330.388 2.720 20 5 EFBDMN C[C@H](NCC(=O)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173392417 533817366 /nfs/dbraw/zinc/81/73/66/533817366.db2.gz POQWECDGZGRMML-LBPRGKRZSA-N 0 1 345.424 2.892 20 5 EFBDMN C[C@H](NCCS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000154150587 533864349 /nfs/dbraw/zinc/86/43/49/533864349.db2.gz SSUWGPMEMLMOFL-ZDUSSCGKSA-N 0 1 334.397 2.719 20 5 EFBDMN Cc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000154036189 533869234 /nfs/dbraw/zinc/86/92/34/533869234.db2.gz NSVNFGMXKBRQHF-UHFFFAOYSA-N 0 1 349.412 2.766 20 5 EFBDMN Cc1ccc(CN2CC[C@H](NCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000191800065 533953467 /nfs/dbraw/zinc/95/34/67/533953467.db2.gz KEEXORRYOXDWNV-SFHVURJKSA-N 0 1 339.395 2.794 20 5 EFBDMN CC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000119606951 518462832 /nfs/dbraw/zinc/46/28/32/518462832.db2.gz FTIYAFVVXLEVKY-UHFFFAOYSA-N 0 1 334.353 2.907 20 5 EFBDMN CC(C)N1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000078344880 519683370 /nfs/dbraw/zinc/68/33/70/519683370.db2.gz KVFHFLKUAQZCDA-CYBMUJFWSA-N 0 1 345.403 2.732 20 5 EFBDMN CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000061622524 520259417 /nfs/dbraw/zinc/25/94/17/520259417.db2.gz RNXTYGJLMHBXPG-UHFFFAOYSA-N 0 1 343.383 2.682 20 5 EFBDMN CCc1noc(C)c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000119265577 522838681 /nfs/dbraw/zinc/83/86/81/522838681.db2.gz VPPPQUQZFLJUIB-GFCCVEGCSA-N 0 1 331.376 2.535 20 5 EFBDMN COc1cc([C@H](C)NCc2ccccc2[N+](=O)[O-])ccc1OCCO ZINC000120111657 522944629 /nfs/dbraw/zinc/94/46/29/522944629.db2.gz UWOUFELPUNIFHV-ZDUSSCGKSA-N 0 1 346.383 2.825 20 5 EFBDMN CN(Cc1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374437 523352407 /nfs/dbraw/zinc/35/24/07/523352407.db2.gz ZYBWQJPRFLQQDG-KRWDZBQOSA-N 0 1 325.368 2.832 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCc3c4ccccc4[nH]c3C2)c1[N+](=O)[O-] ZINC000089926416 523666162 /nfs/dbraw/zinc/66/61/62/523666162.db2.gz GMESBWCCRCHDPN-UHFFFAOYSA-N 0 1 339.355 2.560 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCc3ccc(Cl)cc3C2)c1[N+](=O)[O-] ZINC000179109867 523667622 /nfs/dbraw/zinc/66/76/22/523667622.db2.gz BCYSFSLXYSFBJQ-UHFFFAOYSA-N 0 1 334.763 2.732 20 5 EFBDMN COc1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000078815419 524068117 /nfs/dbraw/zinc/06/81/17/524068117.db2.gz YJVUHVRNFREARQ-UHFFFAOYSA-N 0 1 344.302 2.549 20 5 EFBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000181290474 525307478 /nfs/dbraw/zinc/30/74/78/525307478.db2.gz FICVVEBFMROPFX-JTQLQIEISA-N 0 1 334.763 2.933 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(C(F)F)s2)c1 ZINC000067754050 525450221 /nfs/dbraw/zinc/45/02/21/525450221.db2.gz IIADWLHFQMJDRV-UHFFFAOYSA-N 0 1 330.272 2.645 20 5 EFBDMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000120172420 525491196 /nfs/dbraw/zinc/49/11/96/525491196.db2.gz CAHFICFYXNAXHF-CQSZACIVSA-N 0 1 348.424 2.855 20 5 EFBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccn1 ZINC000146489778 525574449 /nfs/dbraw/zinc/57/44/49/525574449.db2.gz BHBZVHYRPRNNMB-SECBINFHSA-N 0 1 341.776 2.683 20 5 EFBDMN Cc1c(C(=O)NCCN(C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000177049102 525612041 /nfs/dbraw/zinc/61/20/41/525612041.db2.gz FIHYSHIENYMDMT-UHFFFAOYSA-N 0 1 345.374 2.904 20 5 EFBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cccnc2)cc1[N+](=O)[O-] ZINC000060934651 525749164 /nfs/dbraw/zinc/74/91/64/525749164.db2.gz HAUXBJPHDFVEER-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000176723393 525989206 /nfs/dbraw/zinc/98/92/06/525989206.db2.gz SSZMXKAHLQJQIX-VIFPVBQESA-N 0 1 343.368 2.985 20 5 EFBDMN CC(C)(C)[C@@H](CCO)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000181478472 526617470 /nfs/dbraw/zinc/61/74/70/526617470.db2.gz DWHOMXFCPDJBQX-CYBMUJFWSA-N 0 1 334.376 2.532 20 5 EFBDMN NC(=O)c1ccc(CN2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246170505 527046013 /nfs/dbraw/zinc/04/60/13/527046013.db2.gz RUIXTKNUMMHSMQ-HIFRSBDPSA-N 0 1 335.429 2.554 20 5 EFBDMN NC(=O)c1ccc(CNC2(c3ccccc3)CCC2)c([N+](=O)[O-])c1 ZINC000064337793 527050516 /nfs/dbraw/zinc/05/05/16/527050516.db2.gz QJDVSOHADLJTIR-UHFFFAOYSA-N 0 1 325.368 2.863 20 5 EFBDMN O=[N+]([O-])c1c(Nc2cnn(CC(F)(F)F)c2)nc2sccn21 ZINC000118384033 527323207 /nfs/dbraw/zinc/32/32/07/527323207.db2.gz QDTXOFSTDBAVNE-UHFFFAOYSA-N 0 1 332.267 2.806 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)c2c(c1)COCO2 ZINC000193852356 527329986 /nfs/dbraw/zinc/32/99/86/527329986.db2.gz QNIWDBLLSXETKN-GFCCVEGCSA-N 0 1 344.371 2.564 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H]4OCCC[C@@H]4C3)o2)cc1 ZINC000152887916 527344686 /nfs/dbraw/zinc/34/46/86/527344686.db2.gz FQLOZEFACZILAK-UKRRQHHQSA-N 0 1 344.371 2.646 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCSc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000117116155 527373009 /nfs/dbraw/zinc/37/30/09/527373009.db2.gz QDSVPYJJTPELMX-UHFFFAOYSA-N 0 1 343.368 2.946 20 5 EFBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3ncccc32)cc1 ZINC000119540714 527376817 /nfs/dbraw/zinc/37/68/17/527376817.db2.gz SHPXMMDWQKEMCK-UHFFFAOYSA-N 0 1 329.337 2.944 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCSc1nc(-c2cccnc2)n[nH]1 ZINC000076698562 527404122 /nfs/dbraw/zinc/40/41/22/527404122.db2.gz CTZJTBNEOOHTOL-UHFFFAOYSA-N 0 1 343.368 2.946 20 5 EFBDMN Cn1ccnc1C[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000090004359 527442691 /nfs/dbraw/zinc/44/26/91/527442691.db2.gz DKLZLPYHEYFPQH-ZDUSSCGKSA-N 0 1 332.379 2.922 20 5 EFBDMN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(F)cc2[nH]cnc21 ZINC000089420555 527497487 /nfs/dbraw/zinc/49/74/87/527497487.db2.gz VEXJZKUOBRJQSF-UHFFFAOYSA-N 0 1 340.274 2.739 20 5 EFBDMN CCOc1ccc(NC(=O)CN2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153041340 528509290 /nfs/dbraw/zinc/50/92/90/528509290.db2.gz WXIBGTXXXRBAPQ-BETUJISGSA-N 0 1 333.388 2.664 20 5 EFBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000181290049 528512285 /nfs/dbraw/zinc/51/22/85/528512285.db2.gz NOYJHXMPNXWBPF-GFCCVEGCSA-N 0 1 344.371 2.678 20 5 EFBDMN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000187319107 528605628 /nfs/dbraw/zinc/60/56/28/528605628.db2.gz UPJFDGLHNXHBFN-LSDHHAIUSA-N 0 1 346.387 2.795 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263364780 535022049 /nfs/dbraw/zinc/02/20/49/535022049.db2.gz SVOGFYMOSWYJQS-JSGCOSHPSA-N 0 1 336.388 2.925 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263364779 535022424 /nfs/dbraw/zinc/02/24/24/535022424.db2.gz SVOGFYMOSWYJQS-GXTWGEPZSA-N 0 1 336.388 2.925 20 5 EFBDMN CC(C)(NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000363765169 535226420 /nfs/dbraw/zinc/22/64/20/535226420.db2.gz ZFKBEBQXHRPUMI-CQSZACIVSA-N 0 1 343.387 2.930 20 5 EFBDMN CC(C)(NC(=O)c1csc(=NC2CC2)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000349760240 535247219 /nfs/dbraw/zinc/24/72/19/535247219.db2.gz WEORMKGAHAILNK-UHFFFAOYSA-N 0 1 346.412 2.713 20 5 EFBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000343959964 535257629 /nfs/dbraw/zinc/25/76/29/535257629.db2.gz RQCVRDAARDUDQF-SNVBAGLBSA-N 0 1 349.416 2.952 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)CCN(C)c2ccccc2)c1[N+](=O)[O-] ZINC000433743288 535319047 /nfs/dbraw/zinc/31/90/47/535319047.db2.gz APGSYOBCOZTDJN-UHFFFAOYSA-N 0 1 345.403 2.650 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)C2CC(OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000422014684 535319814 /nfs/dbraw/zinc/31/98/14/535319814.db2.gz MNTODRLCBFLMMJ-UHFFFAOYSA-N 0 1 338.408 2.859 20 5 EFBDMN CC(C)c1ccc(CN2CCC3(CNC(=O)N3C)CC2)cc1[N+](=O)[O-] ZINC000425368658 535371222 /nfs/dbraw/zinc/37/12/22/535371222.db2.gz FPEBPJMJDMZKEQ-UHFFFAOYSA-N 0 1 346.431 2.708 20 5 EFBDMN CCOc1cccc(NCCCN2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346281495 535469231 /nfs/dbraw/zinc/46/92/31/535469231.db2.gz VFZZPTQBYHLXLD-KBPBESRZSA-N 0 1 337.420 2.905 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000359536552 535775386 /nfs/dbraw/zinc/77/53/86/535775386.db2.gz XELCIRAKQDQMNE-CHWSQXEVSA-N 0 1 334.420 2.527 20 5 EFBDMN COC1CCC(N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000265211129 536732432 /nfs/dbraw/zinc/73/24/32/536732432.db2.gz BBHDPYGDENYLQN-UHFFFAOYSA-N 0 1 332.360 2.501 20 5 EFBDMN COc1ccc(-c2ccc(C[N@H+]3CC[C@H](C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000414681375 536895878 /nfs/dbraw/zinc/89/58/78/536895878.db2.gz LYSPHOZGBUUTMK-NSHDSACASA-N 0 1 346.339 2.770 20 5 EFBDMN Cc1cc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000170011409 564104627 /nfs/dbraw/zinc/10/46/27/564104627.db2.gz VFDJQLSKPPBUPD-UHFFFAOYSA-N 0 1 342.330 2.891 20 5 EFBDMN CCN1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000754079375 575386446 /nfs/dbraw/zinc/38/64/46/575386446.db2.gz GTVNCALETNZWGX-SNVBAGLBSA-N 0 1 341.795 2.565 20 5 EFBDMN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000754250162 575410741 /nfs/dbraw/zinc/41/07/41/575410741.db2.gz CXAILZNDTCUMGC-BDJLRTHQSA-N 0 1 326.356 2.855 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CCO)c1cccs1 ZINC000754384065 575428914 /nfs/dbraw/zinc/42/89/14/575428914.db2.gz GCOLGGQGTDCSNZ-GFCCVEGCSA-N 0 1 349.412 2.617 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n[nH]1 ZINC000754423622 575434609 /nfs/dbraw/zinc/43/46/09/575434609.db2.gz ILUAUEIFKKLOAH-ZJUUUORDSA-N 0 1 346.391 2.608 20 5 EFBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1[nH]nc2c1CCCC2 ZINC000756993082 575808721 /nfs/dbraw/zinc/80/87/21/575808721.db2.gz DDMQFMRICYNHHB-UHFFFAOYSA-N 0 1 334.763 2.780 20 5 EFBDMN CN(CCCNC(=O)C1CCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000759997646 575969871 /nfs/dbraw/zinc/96/98/71/575969871.db2.gz DMEZOMMPLLJUDR-UHFFFAOYSA-N 0 1 339.823 2.986 20 5 EFBDMN CCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000764197300 576440644 /nfs/dbraw/zinc/44/06/44/576440644.db2.gz IRTFJGCCAXMFEO-NSHDSACASA-N 0 1 341.795 2.545 20 5 EFBDMN CCOC(=O)CCN(Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000764923445 576524059 /nfs/dbraw/zinc/52/40/59/576524059.db2.gz BEZZLDCNCLFHAY-UHFFFAOYSA-N 0 1 346.387 2.628 20 5 EFBDMN O=Cc1[nH]nc2cc(C(=O)OCc3c(F)cccc3[N+](=O)[O-])ccc12 ZINC000766182992 577118094 /nfs/dbraw/zinc/11/80/94/577118094.db2.gz AVYBEGCCCIGUSK-UHFFFAOYSA-N 0 1 343.270 2.780 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000766555037 577166132 /nfs/dbraw/zinc/16/61/32/577166132.db2.gz IBKUPEDMYFHTDI-QWRGUYRKSA-N 0 1 325.796 2.803 20 5 EFBDMN Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000766947690 577189352 /nfs/dbraw/zinc/18/93/52/577189352.db2.gz ZWQFSDIEXANCOL-PBHICJAKSA-N 0 1 348.378 2.556 20 5 EFBDMN CC[C@@H](C)[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000767607656 577218219 /nfs/dbraw/zinc/21/82/19/577218219.db2.gz VARMJXFYRYEUAT-MUWHJKNJSA-N 0 1 346.352 2.912 20 5 EFBDMN C[C@@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000768815473 577305475 /nfs/dbraw/zinc/30/54/75/577305475.db2.gz ILGQTVBHQPMTGP-LDYMZIIASA-N 0 1 342.398 2.851 20 5 EFBDMN C[C@H](CCN1CCN(C)CC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000770221502 577407624 /nfs/dbraw/zinc/40/76/24/577407624.db2.gz CLCDPIHPNZSYEW-GFCCVEGCSA-N 0 1 349.460 2.642 20 5 EFBDMN O=C(OCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000770557984 581110109 /nfs/dbraw/zinc/11/01/09/581110109.db2.gz IUECXRZCKGUDQN-UHFFFAOYSA-N 0 1 338.323 2.779 20 5 EFBDMN Cc1nc(COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000770643031 581121049 /nfs/dbraw/zinc/12/10/49/581121049.db2.gz NZCKVLVLQVIOJO-UHFFFAOYSA-N 0 1 345.340 2.502 20 5 EFBDMN Cc1cc([C@H]2CCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])no1 ZINC000771248478 581192695 /nfs/dbraw/zinc/19/26/95/581192695.db2.gz DCZNILOHOQDQFM-LLVKDONJSA-N 0 1 333.348 2.715 20 5 EFBDMN COc1ccc2c(c1)CCCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000771997976 581269239 /nfs/dbraw/zinc/26/92/39/581269239.db2.gz QXOCAQSOKOICAL-UHFFFAOYSA-N 0 1 328.324 2.902 20 5 EFBDMN Cc1cc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c(N)c([N+](=O)[O-])c1 ZINC000773123990 581398810 /nfs/dbraw/zinc/39/88/10/581398810.db2.gz HUPVVUDDXUJUPK-UHFFFAOYSA-N 0 1 345.403 2.778 20 5 EFBDMN CC[C@@H](CSC)N(C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000773259823 581411068 /nfs/dbraw/zinc/41/10/68/581411068.db2.gz XOVRGWYVOCIIII-ZDUSSCGKSA-N 0 1 335.433 2.884 20 5 EFBDMN COCCc1nc(C)c([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])[nH]2)s1 ZINC000773918530 581473380 /nfs/dbraw/zinc/47/33/80/581473380.db2.gz GUBNKIMRLVFMKP-SECBINFHSA-N 0 1 339.373 2.795 20 5 EFBDMN O=C(CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)NCc1ccccc1 ZINC000774151045 581485751 /nfs/dbraw/zinc/48/57/51/581485751.db2.gz OBIMJUWNLMENJB-SFHVURJKSA-N 0 1 339.395 2.878 20 5 EFBDMN O=C([O-])C1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000738545053 596913480 /nfs/dbraw/zinc/91/34/80/596913480.db2.gz NQELNLYJLKEHAK-UHFFFAOYSA-N 0 1 337.357 2.626 20 5 EFBDMN O=C([O-])C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000739796466 599865201 /nfs/dbraw/zinc/86/52/01/599865201.db2.gz FDRPCDOIYISXKB-UHFFFAOYSA-N 0 1 336.294 2.960 20 5 EFBDMN C[NH+](C)[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000737362404 600190146 /nfs/dbraw/zinc/19/01/46/600190146.db2.gz WDWZYGHXZNTBLF-OAHLLOKOSA-N 0 1 343.339 2.534 20 5 EFBDMN Cc1cccc(NCCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[nH+]1 ZINC000738736437 600389945 /nfs/dbraw/zinc/38/99/45/600389945.db2.gz MDGLGBFFGHIFHK-SOFGYWHQSA-N 0 1 342.355 2.920 20 5 EFBDMN O=C([O-])c1sccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000833348219 601805295 /nfs/dbraw/zinc/80/52/95/601805295.db2.gz FGOQSKVJEKLYDQ-UHFFFAOYSA-N 0 1 347.396 2.677 20 5 EFBDMN Cc1cc(N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891024 602317251 /nfs/dbraw/zinc/31/72/51/602317251.db2.gz KKPBYXLCGCBISL-GJZGRUSLSA-N 0 1 333.388 2.664 20 5 EFBDMN Cc1cc(N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891027 602317256 /nfs/dbraw/zinc/31/72/56/602317256.db2.gz KKPBYXLCGCBISL-LSDHHAIUSA-N 0 1 333.388 2.664 20 5 EFBDMN C[C@H]1C[C@@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000828183383 604268513 /nfs/dbraw/zinc/26/85/13/604268513.db2.gz HFQPRLWJHUGYAY-IUCAKERBSA-N 0 1 327.768 2.841 20 5 EFBDMN C[C@@H]1C[C@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000828183384 604268909 /nfs/dbraw/zinc/26/89/09/604268909.db2.gz HFQPRLWJHUGYAY-RKDXNWHRSA-N 0 1 327.768 2.841 20 5 EFBDMN Cc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832932555 604466463 /nfs/dbraw/zinc/46/64/63/604466463.db2.gz OYFRXSSHEYAVCL-KRWDZBQOSA-N 0 1 326.352 2.915 20 5 EFBDMN O=C([O-])C[C@@H]1CCC[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000833212188 604977030 /nfs/dbraw/zinc/97/70/30/604977030.db2.gz UVMSBMKRHJORJL-VIFPVBQESA-N 0 1 337.357 2.769 20 5 EFBDMN CC(C)CC(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CCC1 ZINC001754976372 1249380079 /nfs/dbraw/zinc/38/00/79/1249380079.db2.gz FGJPQIKASURJCK-UHFFFAOYSA-N 0 1 325.434 2.831 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[S@](=O)C(C)(C)C ZINC000850438192 1250487143 /nfs/dbraw/zinc/48/71/43/1250487143.db2.gz WLKRMGBHDJMKDZ-SAHAZLINSA-N 0 1 328.434 2.801 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[S@@](=O)C(C)(C)C ZINC000850438190 1250487434 /nfs/dbraw/zinc/48/74/34/1250487434.db2.gz WLKRMGBHDJMKDZ-KPWVOAKYSA-N 0 1 328.434 2.801 20 5 EFBDMN CCCc1cc(C(=O)N(CC)CCNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001106911344 1252485599 /nfs/dbraw/zinc/48/55/99/1252485599.db2.gz RHEPAHGDURFFTL-UHFFFAOYSA-N 0 1 345.403 2.845 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CC=C(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000354995021 1254155134 /nfs/dbraw/zinc/15/51/34/1254155134.db2.gz NAQQAVRNZGECEI-UHFFFAOYSA-N 0 1 326.356 2.981 20 5 EFBDMN COC(=O)[C@H](C)Oc1ccccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000921564114 1257462486 /nfs/dbraw/zinc/46/24/86/1257462486.db2.gz OXCLMZGVIHPCMC-ZDUSSCGKSA-N 0 1 344.367 2.825 20 5 EFBDMN O=C(C1CC1)N1CC[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]2CC1 ZINC000946434351 1258769383 /nfs/dbraw/zinc/76/93/83/1258769383.db2.gz PRSPICLZGCEKFV-GASCZTMLSA-N 0 1 349.456 2.737 20 5 EFBDMN CCCn1c2ccccc2[nH]c1=NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000010652689 1259724157 /nfs/dbraw/zinc/72/41/57/1259724157.db2.gz GOOZEGFDBMPHFY-UHFFFAOYSA-N 0 1 339.355 2.611 20 5 EFBDMN Cc1cc(C)c(C(=O)NCCNCc2ccccc2[N+](=O)[O-])s1 ZINC001128294550 1264173657 /nfs/dbraw/zinc/17/36/57/1264173657.db2.gz SUEHWQRRKQWDAK-UHFFFAOYSA-N 0 1 333.413 2.793 20 5 EFBDMN CC1(C(=O)NC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC001003444606 1264760217 /nfs/dbraw/zinc/76/02/17/1264760217.db2.gz STFICGXKQCESSM-UHFFFAOYSA-N 0 1 331.416 2.866 20 5 EFBDMN O=C(NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)C1CC2(CC2)C1 ZINC001003600347 1264938174 /nfs/dbraw/zinc/93/81/74/1264938174.db2.gz ZNUBBJKHGFGLNX-UHFFFAOYSA-N 0 1 343.427 2.866 20 5 EFBDMN CN(C(=O)c1ccoc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005111846 1268870402 /nfs/dbraw/zinc/87/04/02/1268870402.db2.gz OZSZQEKJEGNSHC-UHFFFAOYSA-N 0 1 343.383 2.924 20 5 EFBDMN COc1ccc(COC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000741019160 1269251957 /nfs/dbraw/zinc/25/19/57/1269251957.db2.gz TYNNLPDWVJEORZ-XQQFMLRXSA-N 0 1 336.388 2.908 20 5 EFBDMN C[C@@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000741028221 1269262038 /nfs/dbraw/zinc/26/20/38/1269262038.db2.gz FBXJAQPCTQEUOS-AWEZNQCLSA-N 0 1 336.388 2.781 20 5 EFBDMN C[C@@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000741029231 1269263370 /nfs/dbraw/zinc/26/33/70/1269263370.db2.gz NGRQZAZUSZIXPJ-AWEZNQCLSA-N 0 1 336.388 2.781 20 5 EFBDMN COc1ccc(COC(=O)[C@H](C)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000741029732 1269264469 /nfs/dbraw/zinc/26/44/69/1269264469.db2.gz RNEVVEGLKAJUBS-ZDUSSCGKSA-N 0 1 336.388 2.911 20 5 EFBDMN O=C(NC[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC001086014918 1269527854 /nfs/dbraw/zinc/52/78/54/1269527854.db2.gz MRSHCXDOSMVWMU-JNSHFYNHSA-N 0 1 345.424 2.955 20 5 EFBDMN CN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1Cc2ccccc2C1 ZINC000742146733 1269901704 /nfs/dbraw/zinc/90/17/04/1269901704.db2.gz YJRAZWJKIUZRHP-UHFFFAOYSA-N 0 1 349.394 2.910 20 5 EFBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000843897221 1278643666 /nfs/dbraw/zinc/64/36/66/1278643666.db2.gz HTHWFDZQXXDKCF-LLVKDONJSA-N 0 1 335.379 2.599 20 5 EFBDMN Cc1ccc2c(n1)N(CC1CC1)CCN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169026339 1272621648 /nfs/dbraw/zinc/62/16/48/1272621648.db2.gz LAZWLMYFSSJXLE-AEFFLSMTSA-N 0 1 344.459 2.867 20 5 EFBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N(Cc2cccnc2)Cc2ccccn2)C1 ZINC001169026752 1272623752 /nfs/dbraw/zinc/62/37/52/1272623752.db2.gz NTMMYOJGUSZYQP-MAUKXSAKSA-N 0 1 326.400 2.924 20 5 EFBDMN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCN(C)C1 ZINC000844147408 1278774687 /nfs/dbraw/zinc/77/46/87/1278774687.db2.gz WLQRTNZGRPKJKO-GFCCVEGCSA-N 0 1 325.796 2.805 20 5 EFBDMN CC(C)CC1(C(=O)NCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC001129058418 1273528813 /nfs/dbraw/zinc/52/88/13/1273528813.db2.gz YFFQROZSYVPRGZ-UHFFFAOYSA-N 0 1 325.434 2.688 20 5 EFBDMN CCc1cc(C(=O)N(C)CCCNc2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC001109369658 1274199550 /nfs/dbraw/zinc/19/95/50/1274199550.db2.gz FAWQZOCUXHGERG-UHFFFAOYSA-N 0 1 349.366 2.594 20 5 EFBDMN CC(C)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000103483026 1278882434 /nfs/dbraw/zinc/88/24/34/1278882434.db2.gz PKMNRNOABCFTFO-UHFFFAOYSA-N 0 1 331.347 2.858 20 5 EFBDMN C[C@H]1CC[C@H](C)N1CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000785725855 1275157965 /nfs/dbraw/zinc/15/79/65/1275157965.db2.gz BOEHINOJMCYDEN-KBPBESRZSA-N 0 1 336.388 2.780 20 5 EFBDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000785725857 1275158378 /nfs/dbraw/zinc/15/83/78/1275158378.db2.gz BOEHINOJMCYDEN-OKILXGFUSA-N 0 1 336.388 2.780 20 5 EFBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cccc4nsnc43)CC2)n1 ZINC000785868602 1275219634 /nfs/dbraw/zinc/21/96/34/1275219634.db2.gz IKDHMGIFQGYJBB-UHFFFAOYSA-N 0 1 344.400 2.633 20 5 EFBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc2cncn2c1 ZINC000786321982 1275369811 /nfs/dbraw/zinc/36/98/11/1275369811.db2.gz SSJFSTPVISTOOA-UHFFFAOYSA-N 0 1 330.731 2.826 20 5 EFBDMN O=C(OCCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C1CCCC1 ZINC000786882095 1275583051 /nfs/dbraw/zinc/58/30/51/1275583051.db2.gz KQYRIOGZVLMOIX-INIZCTEOSA-N 0 1 348.399 2.924 20 5 EFBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cccc2ocnc21 ZINC000788131878 1276048826 /nfs/dbraw/zinc/04/88/26/1276048826.db2.gz OABHPBKATASIPJ-UHFFFAOYSA-N 0 1 347.352 2.720 20 5 EFBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000788139106 1276055133 /nfs/dbraw/zinc/05/51/33/1276055133.db2.gz IBJBDPZERRJTQP-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN Cc1c(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000788471688 1276188237 /nfs/dbraw/zinc/18/82/37/1276188237.db2.gz NEOGLECNVUDREC-MRXNPFEDSA-N 0 1 330.388 2.572 20 5 EFBDMN COc1cc(CNCCNc2ccc(C)cn2)c([N+](=O)[O-])cc1OC ZINC000922925050 1276345913 /nfs/dbraw/zinc/34/59/13/1276345913.db2.gz IPMIRSJKGFENKU-UHFFFAOYSA-N 0 1 346.387 2.517 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCO[C@H]3CCOC3)cs2)c1 ZINC000922939087 1276364722 /nfs/dbraw/zinc/36/47/22/1276364722.db2.gz LDPJBQRBEJYNQK-HNNXBMFYSA-N 0 1 349.412 2.613 20 5 EFBDMN COC(=O)[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C1CC1 ZINC000844477421 1279031887 /nfs/dbraw/zinc/03/18/87/1279031887.db2.gz GIILJNKWCVQKOB-UONOGXRCSA-N 0 1 338.791 2.879 20 5 EFBDMN CCC(=O)N[C@@H]1CCCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170353636 1279034405 /nfs/dbraw/zinc/03/44/05/1279034405.db2.gz DKTCSRPHAOFDHY-UKRRQHHQSA-N 0 1 349.431 2.525 20 5 EFBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC001134806181 1287231288 /nfs/dbraw/zinc/23/12/88/1287231288.db2.gz BZUMCQYPQCMTQV-UHFFFAOYSA-N 0 1 339.804 2.829 20 5 EFBDMN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccc3c(n2)CCCC3)c1 ZINC000819266064 1276719302 /nfs/dbraw/zinc/71/93/02/1276719302.db2.gz LOFTYEDTQBTWRD-SFHVURJKSA-N 0 1 327.384 2.692 20 5 EFBDMN Cc1nn(CN2CCC[C@@H]2[C@@H]2CCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000789514423 1276772529 /nfs/dbraw/zinc/77/25/29/1276772529.db2.gz QBXVEPJDWQLPAU-SJORKVTESA-N 0 1 330.388 2.854 20 5 EFBDMN Nc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000819892491 1276937531 /nfs/dbraw/zinc/93/75/31/1276937531.db2.gz IOVNQHKNSCSUMF-INIZCTEOSA-N 0 1 340.383 2.780 20 5 EFBDMN COc1ccc(C[C@@H](C)N2C[C@@H]3OCC(F)(F)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170336583 1279028851 /nfs/dbraw/zinc/02/88/51/1279028851.db2.gz ZSHPXANECKAYOB-YVLXSGLVSA-N 0 1 342.342 2.500 20 5 EFBDMN O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000820670389 1277271748 /nfs/dbraw/zinc/27/17/48/1277271748.db2.gz NRWLWTUIWYXKKU-LLVKDONJSA-N 0 1 343.786 2.546 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1Cl ZINC000923264051 1277408256 /nfs/dbraw/zinc/40/82/56/1277408256.db2.gz FNOMORLJELFVMR-NWDGAFQWSA-N 0 1 337.807 2.865 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccsc1 ZINC000821254125 1277493529 /nfs/dbraw/zinc/49/35/29/1277493529.db2.gz VXSQRTJXVBFLPN-AWEZNQCLSA-N 0 1 337.376 2.828 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccn(-c3ccncc3)n2)c1F ZINC000790517841 1277625791 /nfs/dbraw/zinc/62/57/91/1277625791.db2.gz BHFKKHCGNWNAII-UHFFFAOYSA-N 0 1 341.302 2.875 20 5 EFBDMN CN(CC(C)(C)CNc1ccc([N+](=O)[O-])cc1)C(=O)c1ccn[nH]1 ZINC001113409373 1277781385 /nfs/dbraw/zinc/78/13/85/1277781385.db2.gz GDENMPXRUBVQMH-UHFFFAOYSA-N 0 1 331.376 2.528 20 5 EFBDMN COc1ccc(C[C@@H](C)N2CCc3ncccc3C2)c([N+](=O)[O-])c1 ZINC001170345435 1279050370 /nfs/dbraw/zinc/05/03/70/1279050370.db2.gz KMUMIAYMTGCTIA-CYBMUJFWSA-N 0 1 327.384 2.988 20 5 EFBDMN COc1ccc(C[C@@H](C)N2CCc3cccnc3C2)c([N+](=O)[O-])c1 ZINC001170351752 1279058877 /nfs/dbraw/zinc/05/88/77/1279058877.db2.gz HSUDMTGMSAIDEX-CYBMUJFWSA-N 0 1 327.384 2.988 20 5 EFBDMN O=[N+]([O-])c1cc(F)c(Cl)cc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000845554229 1279721374 /nfs/dbraw/zinc/72/13/74/1279721374.db2.gz GESLVLFCYOHCSD-SNVBAGLBSA-N 0 1 331.775 2.646 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CCC(C4CC4)CC3)n2)c1 ZINC000793629323 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2.944 20 5 EFBDMN C[C@@H](CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC001335308280 1331338684 /nfs/dbraw/zinc/33/86/84/1331338684.db2.gz LGHYRZFKYORJCI-NSHDSACASA-N 0 1 346.353 2.661 20 5 EFBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3cccs3)c2)CC1 ZINC001338334371 1331693750 /nfs/dbraw/zinc/69/37/50/1331693750.db2.gz DKLSRASHXKWSDH-UHFFFAOYSA-N 0 1 346.412 2.660 20 5 EFBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C[C@@H]3C=CCC3)c2)CC1 ZINC001339184733 1331810670 /nfs/dbraw/zinc/81/06/70/1331810670.db2.gz KOHLHEOXZVZMGW-CQSZACIVSA-N 0 1 344.415 2.641 20 5 EFBDMN COC(=O)[C@H]1CCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001339439424 1331867902 /nfs/dbraw/zinc/86/79/02/1331867902.db2.gz TXGIBLKULCFRRJ-LSDHHAIUSA-N 0 1 345.355 2.681 20 5 EFBDMN CN(C)Cc1ccsc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001340221493 1332156905 /nfs/dbraw/zinc/15/69/05/1332156905.db2.gz DZPZTNKFDHDSOJ-UHFFFAOYSA-N 0 1 331.397 2.874 20 5 EFBDMN C[C@H](NC(=O)[C@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001341108666 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347.337 2.507 20 5 EFBDMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000847304941 1333514120 /nfs/dbraw/zinc/51/41/20/1333514120.db2.gz AKPYNPLPFKEEDW-SNVBAGLBSA-N 0 1 336.779 2.809 20 5 EFBDMN C[C@H]1c2ccc(Cl)n2CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000848088705 1334275684 /nfs/dbraw/zinc/27/56/84/1334275684.db2.gz DBAGDDVUCCJHKL-VIFPVBQESA-N 0 1 335.747 2.972 20 5 EFBDMN Cc1[nH]ccc1C(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002562898 1334402470 /nfs/dbraw/zinc/40/24/70/1334402470.db2.gz VPNHKHQSEVPXDA-UHFFFAOYSA-N 0 1 342.399 2.626 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@]3(CCOC3)C2)c1 ZINC000848482826 1334740205 /nfs/dbraw/zinc/74/02/05/1334740205.db2.gz VVWZUIMMZHPXNQ-KRWDZBQOSA-N 0 1 328.372 2.528 20 5 EFBDMN C[C@]1(O)CCCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848487740 1334744353 /nfs/dbraw/zinc/74/43/53/1334744353.db2.gz VWPDOLIWIXIAKO-KRWDZBQOSA-N 0 1 330.388 2.653 20 5 EFBDMN O=[N+]([O-])c1ccc2nc(NCc3n[nH]c([C@H]4CCCO4)n3)sc2c1 ZINC000848750209 1334873749 /nfs/dbraw/zinc/87/37/49/1334873749.db2.gz URVNWQSONJUGBK-SNVBAGLBSA-N 0 1 346.372 2.786 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000849346218 1335595735 /nfs/dbraw/zinc/59/57/35/1335595735.db2.gz QNBXEPYGISQMCH-YVSFHVDLSA-N 0 1 348.399 2.594 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1C=CCC1 ZINC000849431512 1335614667 /nfs/dbraw/zinc/61/46/67/1335614667.db2.gz ZTIAWJXJOSTNSO-MRVPVSSYSA-N 0 1 337.184 2.899 20 5 EFBDMN C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824613922 1423557907 /nfs/dbraw/zinc/55/79/07/1423557907.db2.gz YLUVWKZYWUMGBU-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820428787 1424388013 /nfs/dbraw/zinc/38/80/13/1424388013.db2.gz ZXCMJHHOQWJKRN-GFCCVEGCSA-N 0 1 338.371 2.668 20 5 EFBDMN Cc1ccc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826288004 1443438636 /nfs/dbraw/zinc/43/86/36/1443438636.db2.gz MRNYJPNSJMMCGK-UHFFFAOYSA-N 0 1 338.371 2.715 20 5 EFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736200973 1446657746 /nfs/dbraw/zinc/65/77/46/1446657746.db2.gz FTIOMQOELDIVTF-LBPRGKRZSA-N 0 1 338.371 2.968 20 5 EFBDMN Cc1cc(C(=O)N[C@H]2C[C@H](NCc3csc([N+](=O)[O-])c3)C2)c(C)[nH]1 ZINC001020638011 713307901 /nfs/dbraw/zinc/30/79/01/713307901.db2.gz AIJYEPVTCJDNDR-JOCQHMNTSA-N 0 1 348.428 2.652 20 5 EFBDMN CN(Cc1ccccc1)C1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804811800 713478815 /nfs/dbraw/zinc/47/88/15/713478815.db2.gz DIFBAIZIUHQOJW-UHFFFAOYSA-N 0 1 342.355 2.824 20 5 EFBDMN CCn1cccc1C(=O)N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001021055961 713542119 /nfs/dbraw/zinc/54/21/19/713542119.db2.gz OHUSEGSYOUTGDW-JOCQHMNTSA-N 0 1 348.428 2.528 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C)C[C@H]1CC(C)C ZINC000933250782 714571169 /nfs/dbraw/zinc/57/11/69/714571169.db2.gz ZSKRZAIJUCDNRI-MRXNPFEDSA-N 0 1 348.447 2.504 20 5 EFBDMN CC(C)CCNC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000934048782 715181150 /nfs/dbraw/zinc/18/11/50/715181150.db2.gz WMRZHSCGZWCOQM-UHFFFAOYSA-N 0 1 349.435 2.514 20 5 EFBDMN COc1ccc(CN2C[C@@H](Cc3ccccc3)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000934437918 715473969 /nfs/dbraw/zinc/47/39/69/715473969.db2.gz MMBHSRDOBIJJRP-SJLPKXTDSA-N 0 1 342.395 2.639 20 5 EFBDMN Cc1cc(F)cc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000176674517 715536335 /nfs/dbraw/zinc/53/63/35/715536335.db2.gz VZESQBWAFMXDSJ-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN COc1c(O)ccc(CN2CCC([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000893520555 716489104 /nfs/dbraw/zinc/48/91/04/716489104.db2.gz JHXGSDCTSDYMHG-AWEZNQCLSA-N 0 1 336.388 2.558 20 5 EFBDMN COc1c(O)ccc(CNCCO[C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892580052 718305648 /nfs/dbraw/zinc/30/56/48/718305648.db2.gz ZIKHFFUZSKONAC-IUODEOHRSA-N 0 1 338.404 2.994 20 5 EFBDMN CCOc1ccc(CNCc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC000892674781 718468036 /nfs/dbraw/zinc/46/80/36/718468036.db2.gz YGWWEXPELBDMEK-UHFFFAOYSA-N 0 1 332.356 2.998 20 5 EFBDMN CC(C)=CC(=O)N1CC2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981592772 718857171 /nfs/dbraw/zinc/85/71/71/718857171.db2.gz HRBAEWFOPZCJRP-UHFFFAOYSA-N 0 1 343.427 2.985 20 5 EFBDMN C[C@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1C ZINC001164632205 719177755 /nfs/dbraw/zinc/17/77/55/719177755.db2.gz DIGYNTYYYFHPJE-UWVGGRQHSA-N 0 1 335.795 2.720 20 5 EFBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164634163 719178514 /nfs/dbraw/zinc/17/85/14/719178514.db2.gz ILDFHUXHOQHSOH-VHSXEESVSA-N 0 1 335.795 2.720 20 5 EFBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164633923 719244038 /nfs/dbraw/zinc/24/40/38/719244038.db2.gz LMHYIQJBACWKCH-QWHCGFSZSA-N 0 1 327.388 2.581 20 5 EFBDMN CC(C)(C)N1CC[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000897332046 724593044 /nfs/dbraw/zinc/59/30/44/724593044.db2.gz AHUXICYGKYWKPA-ZDUSSCGKSA-N 0 1 339.823 2.780 20 5 EFBDMN CC1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4[N+](=O)[O-])C[C@H]32)CCCC1 ZINC001025931034 719548157 /nfs/dbraw/zinc/54/81/57/719548157.db2.gz AYFOLBKYCPTIIP-QLPKVWCKSA-N 0 1 343.427 2.722 20 5 EFBDMN COc1c(O)ccc(CNCCOCc2ccccc2)c1[N+](=O)[O-] ZINC000893098061 719632848 /nfs/dbraw/zinc/63/28/48/719632848.db2.gz FDQLOZXPTIPRGP-UHFFFAOYSA-N 0 1 332.356 2.615 20 5 EFBDMN CC(C)C(=O)N1C[C@@]2(C)CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000982210841 719665359 /nfs/dbraw/zinc/66/53/59/719665359.db2.gz NNJGQOXUJKHOJU-KDURUIRLSA-N 0 1 345.443 2.921 20 5 EFBDMN Cc1ccc(F)c(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000077688333 719702393 /nfs/dbraw/zinc/70/23/93/719702393.db2.gz KUTUFFDBOANYJO-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN CC(C)CN1CCO[C@@H](COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000073015860 719851574 /nfs/dbraw/zinc/85/15/74/719851574.db2.gz RILQHCINUHLDAO-ZGRWHYIRSA-N 0 1 348.399 2.508 20 5 EFBDMN CC(C)(C)OC(=O)NCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893335428 720728611 /nfs/dbraw/zinc/72/86/11/720728611.db2.gz RSLQHYQSWQXMFF-UHFFFAOYSA-N 0 1 329.784 2.863 20 5 EFBDMN CSc1ccc(C(=O)NCc2cc(N(C)C)ccn2)cc1[N+](=O)[O-] ZINC000927708540 720806052 /nfs/dbraw/zinc/80/60/52/720806052.db2.gz VHLRYMSEJFEABY-UHFFFAOYSA-N 0 1 346.412 2.708 20 5 EFBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000840672612 722033314 /nfs/dbraw/zinc/03/33/14/722033314.db2.gz DFKHXBPBYWANGS-AZTOOPQRSA-N 0 1 347.154 2.529 20 5 EFBDMN O=C(OCc1ccc(Br)c(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673702 722112019 /nfs/dbraw/zinc/11/20/19/722112019.db2.gz YYPJNTOPMNUSPW-GMSGAONNSA-N 0 1 334.553 2.811 20 5 EFBDMN Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](Nc3ccc([N+](=O)[O-])c(C)c3)C2)c1C ZINC001059172228 722764154 /nfs/dbraw/zinc/76/41/54/722764154.db2.gz HDEXTWCRZCFMHC-HDJSIYSDSA-N 0 1 343.387 2.616 20 5 EFBDMN Cc1ncc2n1C[C@H](c1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000895952597 723069516 /nfs/dbraw/zinc/06/95/16/723069516.db2.gz HLYPNLNATMLHAK-GFCCVEGCSA-N 0 1 325.328 2.880 20 5 EFBDMN Cc1ncc2n1C[C@@H](c1nc(Cc3ccccc3[N+](=O)[O-])no1)CC2 ZINC000895957646 723071737 /nfs/dbraw/zinc/07/17/37/723071737.db2.gz KDCNSDWYRUMKPM-ZDUSSCGKSA-N 0 1 339.355 2.804 20 5 EFBDMN Cc1ncc2n1C[C@H](c1nc(-c3ccc([N+](=O)[O-])s3)no1)CC2 ZINC000896221314 723199692 /nfs/dbraw/zinc/19/96/92/723199692.db2.gz DLRBWPFDIJOSKM-SECBINFHSA-N 0 1 331.357 2.941 20 5 EFBDMN COc1c(O)ccc(CN2CC[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000895097362 723279916 /nfs/dbraw/zinc/27/99/16/723279916.db2.gz OJHJNFRMSLWOEF-CYBMUJFWSA-N 0 1 329.356 2.694 20 5 EFBDMN CC(C)C[C@@H]1C[N@@H+](C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000896649984 723422859 /nfs/dbraw/zinc/42/28/59/723422859.db2.gz APDNAWUINHUEQQ-LLVKDONJSA-N 0 1 335.433 2.766 20 5 EFBDMN C[C@H](Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000895248379 723936942 /nfs/dbraw/zinc/93/69/42/723936942.db2.gz KSXIYKDLWUVFRY-JOYOIKCWSA-N 0 1 347.246 2.948 20 5 EFBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCO[C@H]1CCOC1 ZINC000897202314 724074982 /nfs/dbraw/zinc/07/49/82/724074982.db2.gz RSWLROIVCNZKEU-NSHDSACASA-N 0 1 335.187 2.797 20 5 EFBDMN CC(C)(C)N1CC[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000897266981 724154917 /nfs/dbraw/zinc/15/49/17/724154917.db2.gz WUKKVJITKNGFPB-INIZCTEOSA-N 0 1 331.416 2.959 20 5 EFBDMN CCO/C=C/[C@](O)(CNCc1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000895715984 724275570 /nfs/dbraw/zinc/27/55/70/724275570.db2.gz FSFKABLWPKQJJU-NPQIQWPPSA-N 0 1 348.321 2.836 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000918537124 728885980 /nfs/dbraw/zinc/88/59/80/728885980.db2.gz GZAYXCJEKZETBJ-UHFFFAOYSA-N 0 1 335.272 2.587 20 5 EFBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(-c3ccccc3)n2)c2nonc21 ZINC000728911089 724882644 /nfs/dbraw/zinc/88/26/44/724882644.db2.gz OZZBCYLMRYFBHN-UHFFFAOYSA-N 0 1 337.299 2.528 20 5 EFBDMN O=[N+]([O-])c1ccc(NCc2nc(-c3ccccc3)n[nH]2)c2nonc21 ZINC000728911089 724882646 /nfs/dbraw/zinc/88/26/46/724882646.db2.gz OZZBCYLMRYFBHN-UHFFFAOYSA-N 0 1 337.299 2.528 20 5 EFBDMN CCCNC(=O)Nc1cccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000729212268 725550434 /nfs/dbraw/zinc/55/04/34/725550434.db2.gz AQESUNRDPNGDOB-UHFFFAOYSA-N 0 1 332.316 2.674 20 5 EFBDMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000263551188 725902079 /nfs/dbraw/zinc/90/20/79/725902079.db2.gz KYNJUNAWJIXKDY-LLVKDONJSA-N 0 1 341.795 2.624 20 5 EFBDMN Cc1ccc([C@@H](O)CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000174734728 725964687 /nfs/dbraw/zinc/96/46/87/725964687.db2.gz QRISVPDDFOLYLT-IBGZPJMESA-N 0 1 341.411 2.759 20 5 EFBDMN CCn1c(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000731678407 726916767 /nfs/dbraw/zinc/91/67/67/726916767.db2.gz LXWYTZDFPFZQGN-QGZVFWFLSA-N 0 1 340.383 2.788 20 5 EFBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732543735 727148383 /nfs/dbraw/zinc/14/83/83/727148383.db2.gz KPMSJRVNZWQKBB-MRVPVSSYSA-N 0 1 347.762 2.954 20 5 EFBDMN COc1cc(C(=O)N2CCN(C)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000908574510 727219401 /nfs/dbraw/zinc/21/94/01/727219401.db2.gz ZJPQDEURCOTJHE-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN CCN1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910269765 727425607 /nfs/dbraw/zinc/42/56/07/727425607.db2.gz HABXUCOKEWPKGH-CQSZACIVSA-N 0 1 347.415 2.500 20 5 EFBDMN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CCN1C1CCCC1 ZINC000911474137 727543455 /nfs/dbraw/zinc/54/34/55/727543455.db2.gz VNZNRTKWWCCEMO-CQSZACIVSA-N 0 1 339.342 2.506 20 5 EFBDMN CC(=O)c1ccc(NC2CCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000917064347 727762415 /nfs/dbraw/zinc/76/24/15/727762415.db2.gz PKZSBJTXZNFMBC-MRXNPFEDSA-N 0 1 347.415 2.853 20 5 EFBDMN COc1ccc(C(=O)Nc2nc(-c3cccs3)n[nH]2)cc1[N+](=O)[O-] ZINC000917128148 727776241 /nfs/dbraw/zinc/77/62/41/727776241.db2.gz SVUYYCSVWHYHGM-UHFFFAOYSA-N 0 1 345.340 2.702 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000913298588 727813512 /nfs/dbraw/zinc/81/35/12/727813512.db2.gz NHSYPTUZMVELCZ-UHFFFAOYSA-N 0 1 343.295 2.944 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H](C2OCCO2)C1 ZINC000172020368 728563076 /nfs/dbraw/zinc/56/30/76/728563076.db2.gz DWOVTUSYUTXFAL-GFCCVEGCSA-N 0 1 326.780 2.833 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC000179643471 729602810 /nfs/dbraw/zinc/60/28/10/729602810.db2.gz ZCWKAXPAQXPEIX-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000062935387 948967520 /nfs/dbraw/zinc/96/75/20/948967520.db2.gz NWYWBCXQUJYMLY-CYBMUJFWSA-N 0 1 343.177 2.654 20 5 EFBDMN C[C@H](C[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001589034236 955551985 /nfs/dbraw/zinc/55/19/85/955551985.db2.gz USALUQFHCHELKA-MRVPVSSYSA-N 0 1 331.166 2.510 20 5 EFBDMN O=C([O-])C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1CC1 ZINC000844838094 955679434 /nfs/dbraw/zinc/67/94/34/955679434.db2.gz RRKMJQVWWQUYCL-UHFFFAOYSA-N 0 1 343.177 2.654 20 5 EFBDMN O=C([O-])C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1CCC1 ZINC000923253834 957107927 /nfs/dbraw/zinc/10/79/27/957107927.db2.gz ORSDANCEZNZAKX-UHFFFAOYSA-N 0 1 343.177 2.796 20 5 EFBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001573712740 959859581 /nfs/dbraw/zinc/85/95/81/959859581.db2.gz VIJDHGKYIRPWTC-DGCLKSJQSA-N 0 1 345.355 2.935 20 5 EFBDMN O=C([O-])C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCC1 ZINC001574715901 962720706 /nfs/dbraw/zinc/72/07/06/962720706.db2.gz CVUFJFRRAWAJQK-UHFFFAOYSA-N 0 1 343.177 2.796 20 5 EFBDMN O=C([O-])[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000236440548 967773961 /nfs/dbraw/zinc/77/39/61/967773961.db2.gz HJWLRHGLVUGZBW-SNVBAGLBSA-N 0 1 343.177 2.654 20 5 EFBDMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000236440548 967773964 /nfs/dbraw/zinc/77/39/64/967773964.db2.gz HJWLRHGLVUGZBW-SNVBAGLBSA-N 0 1 343.177 2.654 20 5 EFBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000923255394 969649329 /nfs/dbraw/zinc/64/93/29/969649329.db2.gz DWFWVQIZWPZYDM-LLVKDONJSA-N 0 1 331.166 2.652 20 5 EFBDMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001606123134 973364454 /nfs/dbraw/zinc/36/44/54/973364454.db2.gz QDBVCPFKUWZVGV-NSHDSACASA-N 0 1 333.344 2.955 20 5 EFBDMN O=C([O-])C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1CC1 ZINC001606229533 973485433 /nfs/dbraw/zinc/48/54/33/973485433.db2.gz DMDOHZDKAZDVLF-UHFFFAOYSA-N 0 1 332.278 2.910 20 5 EFBDMN C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693012761 976564281 /nfs/dbraw/zinc/56/42/81/976564281.db2.gz WMQQUKRAITXVTI-AOOOYVTPSA-N 0 1 343.177 2.652 20 5 EFBDMN C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693012761 976564294 /nfs/dbraw/zinc/56/42/94/976564294.db2.gz WMQQUKRAITXVTI-AOOOYVTPSA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@H]1CCC[N@H+](C(C)(C)CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000737747314 978441336 /nfs/dbraw/zinc/44/13/36/978441336.db2.gz AUFQSTKZSWKXEW-NSHDSACASA-N 0 1 336.392 2.610 20 5 EFBDMN CCOc1cc(C[N@H+]2CC[C@]3(C(=O)[O-])CCC[C@H]23)ccc1[N+](=O)[O-] ZINC000872168634 980071144 /nfs/dbraw/zinc/07/11/44/980071144.db2.gz XKIIBWGDHSPEDE-DOTOQJQBSA-N 0 1 334.372 2.823 20 5 EFBDMN C[C@H](C[NH2+]C1CCN(CCCC(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC000905778929 981150014 /nfs/dbraw/zinc/15/00/14/981150014.db2.gz ZNHDGSBMBSIARJ-CQSZACIVSA-N 0 1 349.431 2.617 20 5 EFBDMN CC[N@H+]1CCC[C@@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001120426190 983029231 /nfs/dbraw/zinc/02/92/31/983029231.db2.gz DSTGRWWPRGQART-QPBFKRLHSA-N 0 1 333.388 2.836 20 5 EFBDMN C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001594536685 986155312 /nfs/dbraw/zinc/15/53/12/986155312.db2.gz RVLAIEWDGBERHD-CYBMUJFWSA-N 0 1 347.415 2.742 20 5 EFBDMN C[C@@H](c1ccccc1)[N@H+](CCO)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599847558 988958767 /nfs/dbraw/zinc/95/87/67/988958767.db2.gz QPLIKFJLNDWRIN-ZDUSSCGKSA-N 0 1 344.367 2.849 20 5 EFBDMN C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599847558 988958775 /nfs/dbraw/zinc/95/87/75/988958775.db2.gz QPLIKFJLNDWRIN-ZDUSSCGKSA-N 0 1 344.367 2.849 20 5 EFBDMN CC(C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nocc1C(=O)[O-] ZINC001590870908 990773966 /nfs/dbraw/zinc/77/39/66/990773966.db2.gz SDMJWSKZBHJCBW-ALCCZGGFSA-N 0 1 331.328 2.819 20 5 EFBDMN C[N@H+](CCOc1ccccc1F)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598499457 992412800 /nfs/dbraw/zinc/41/28/00/992412800.db2.gz VRSVWZVUCRMFLK-UHFFFAOYSA-N 0 1 348.330 2.943 20 5 EFBDMN C[N@@H+](CCOc1ccccc1F)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598499457 992412806 /nfs/dbraw/zinc/41/28/06/992412806.db2.gz VRSVWZVUCRMFLK-UHFFFAOYSA-N 0 1 348.330 2.943 20 5 EFBDMN C[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC001598520744 992674718 /nfs/dbraw/zinc/67/47/18/992674718.db2.gz ZKNPRTJXKXQJKI-UHFFFAOYSA-N 0 1 334.372 2.679 20 5 EFBDMN C[N@@H+]1Cc2ccccc2[C@@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598631645 994182067 /nfs/dbraw/zinc/18/20/67/994182067.db2.gz RDILPYXMJXVSHW-INIZCTEOSA-N 0 1 327.340 2.892 20 5 EFBDMN C[N@H+]1Cc2ccccc2[C@@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598631645 994182073 /nfs/dbraw/zinc/18/20/73/994182073.db2.gz RDILPYXMJXVSHW-INIZCTEOSA-N 0 1 327.340 2.892 20 5 EFBDMN C[C@@]([NH2+]Cc1c(F)cccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593285150 994634185 /nfs/dbraw/zinc/63/41/85/994634185.db2.gz CILGFXYVPQYEQM-INIZCTEOSA-N 0 1 336.294 2.963 20 5 EFBDMN C[C@@]([NH2+]Cc1cccnc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593305184 994760107 /nfs/dbraw/zinc/76/01/07/994760107.db2.gz UMQOYFLMOUMSPI-HNNXBMFYSA-N 0 1 335.747 2.733 20 5 EFBDMN C[C@@H](Oc1ccccc1C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001593649757 996004801 /nfs/dbraw/zinc/00/48/01/996004801.db2.gz YAIOQHSNUYVXEG-GFCCVEGCSA-N 0 1 330.340 2.737 20 5 EFBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001593718200 996239282 /nfs/dbraw/zinc/23/92/82/996239282.db2.gz ZYWOAFQRLUKTFV-ACJLOTCBSA-N 0 1 348.399 2.738 20 5 EFBDMN COc1cc(C[N@@H+](C)C2(C(=O)[O-])CCCC2)c([N+](=O)[O-])cc1F ZINC001599405732 997294658 /nfs/dbraw/zinc/29/46/58/997294658.db2.gz IIKOXCBZCMZKGB-UHFFFAOYSA-N 0 1 326.324 2.572 20 5 EFBDMN COCC[C@@H]([NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccco1 ZINC001599217506 997608388 /nfs/dbraw/zinc/60/83/88/997608388.db2.gz HWNKRRKTNVBWEE-CYBMUJFWSA-N 0 1 334.328 2.753 20 5 EFBDMN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC[N@H+]1C ZINC001594267454 999037421 /nfs/dbraw/zinc/03/74/21/999037421.db2.gz YCIRPBWDCWWEQK-BDAKNGLRSA-N 0 1 327.768 2.841 20 5 EFBDMN COc1ccccc1C[C@](C)(CO)NCc1c(F)cccc1[N+](=O)[O-] ZINC000931602726 1126136170 /nfs/dbraw/zinc/13/61/70/1126136170.db2.gz HNYGSUBWLRZZGL-GOSISDBHSA-N 0 1 348.374 2.826 20 5 EFBDMN C[C@](N)(C(=O)NCc1cscc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001576086010 1088919131 /nfs/dbraw/zinc/91/91/31/1088919131.db2.gz OLHDLGOGJHTIMS-CQSZACIVSA-N 0 1 339.804 2.800 20 5 EFBDMN C[C@H]1C[C@H](CNC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC001576589492 1089339471 /nfs/dbraw/zinc/33/94/71/1089339471.db2.gz QFKBBBLIDKULAR-LWGWVAHUSA-N 0 1 333.432 2.957 20 5 EFBDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001589103774 1093032848 /nfs/dbraw/zinc/03/28/48/1093032848.db2.gz WMGFLVIPIMHQMP-NSHDSACASA-N 0 1 330.392 2.643 20 5 EFBDMN CC(C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001589573127 1093108899 /nfs/dbraw/zinc/10/88/99/1093108899.db2.gz UUFVSWPSZLNRTL-LBPRGKRZSA-N 0 1 330.392 2.643 20 5 EFBDMN CC(C)C[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001589573123 1093109264 /nfs/dbraw/zinc/10/92/64/1093109264.db2.gz UUFVSWPSZLNRTL-GFCCVEGCSA-N 0 1 330.392 2.643 20 5 EFBDMN O=C(NCC1(Nc2ccc([N+](=O)[O-])cc2)CCCC1)c1[nH]ncc1F ZINC001104429196 1093124124 /nfs/dbraw/zinc/12/41/24/1093124124.db2.gz FHMGQAJIGXICIX-UHFFFAOYSA-N 0 1 347.350 2.612 20 5 EFBDMN C[C@@H](N[C@@H](C)c1cc(-c2nn[nH]n2)ccn1)c1cccc([N+](=O)[O-])c1 ZINC001589950975 1093190068 /nfs/dbraw/zinc/19/00/68/1093190068.db2.gz ZDZNQGBFIHRVGC-MNOVXSKESA-N 0 1 339.359 2.582 20 5 EFBDMN C[C@H](N[C@@H](C)c1cc(-c2nn[nH]n2)ccn1)c1cccc([N+](=O)[O-])c1 ZINC001589950976 1093190621 /nfs/dbraw/zinc/19/06/21/1093190621.db2.gz ZDZNQGBFIHRVGC-QWRGUYRKSA-N 0 1 339.359 2.582 20 5 EFBDMN Cc1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])ccc1-c1nn[nH]n1 ZINC001591969477 1093937590 /nfs/dbraw/zinc/93/75/90/1093937590.db2.gz ARQHFLJZIRAERB-GFCCVEGCSA-N 0 1 338.371 2.934 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC001600106438 1094773618 /nfs/dbraw/zinc/77/36/18/1094773618.db2.gz CHRNGJWBKVMSEZ-GFCCVEGCSA-N 0 1 348.403 2.815 20 5 EFBDMN Cc1ccc(NCCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[nH+]c1 ZINC001600460118 1095083312 /nfs/dbraw/zinc/08/33/12/1095083312.db2.gz NRMRYLIXRRHLHU-QPJJXVBHSA-N 0 1 342.355 2.920 20 5 EFBDMN Cc1noc(C[N@@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001600812993 1095348992 /nfs/dbraw/zinc/34/89/92/1095348992.db2.gz TVYHLBGHIGYHLE-STQMWFEESA-N 0 1 337.376 2.747 20 5 EFBDMN Cc1noc(C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001600812993 1095349003 /nfs/dbraw/zinc/34/90/03/1095349003.db2.gz TVYHLBGHIGYHLE-STQMWFEESA-N 0 1 337.376 2.747 20 5 EFBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001601706893 1095853875 /nfs/dbraw/zinc/85/38/75/1095853875.db2.gz GMRALYUOAZEOOK-GFCCVEGCSA-N 0 1 336.241 2.573 20 5 EFBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001601706893 1095853894 /nfs/dbraw/zinc/85/38/94/1095853894.db2.gz GMRALYUOAZEOOK-GFCCVEGCSA-N 0 1 336.241 2.573 20 5 EFBDMN O=C([O-])[C@H]1[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1(F)F ZINC001601748753 1095887432 /nfs/dbraw/zinc/88/74/32/1095887432.db2.gz IRKMODAWGGEQJG-QWHCGFSZSA-N 0 1 326.299 2.525 20 5 EFBDMN O=C([O-])[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC001601872669 1095946266 /nfs/dbraw/zinc/94/62/66/1095946266.db2.gz IONLDTLEMSYDLV-MRXNPFEDSA-N 0 1 328.324 2.615 20 5 EFBDMN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC001601872669 1095946273 /nfs/dbraw/zinc/94/62/73/1095946273.db2.gz IONLDTLEMSYDLV-MRXNPFEDSA-N 0 1 328.324 2.615 20 5 EFBDMN O=C([O-])CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001602007341 1096018377 /nfs/dbraw/zinc/01/83/77/1096018377.db2.gz CMTDFGMLMVQHDF-KRWDZBQOSA-N 0 1 344.367 2.605 20 5 EFBDMN O=C([O-])COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1[N+](=O)[O-] ZINC001602082571 1096050492 /nfs/dbraw/zinc/05/04/92/1096050492.db2.gz SFZBIEAWVDWCRR-CQSZACIVSA-N 0 1 345.355 2.723 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1[N+](=O)[O-] ZINC001602082571 1096050505 /nfs/dbraw/zinc/05/05/05/1096050505.db2.gz SFZBIEAWVDWCRR-CQSZACIVSA-N 0 1 345.355 2.723 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001602083789 1096052561 /nfs/dbraw/zinc/05/25/61/1096052561.db2.gz TUONOAMKABXZPR-KBXCAEBGSA-N 0 1 346.383 2.679 20 5 EFBDMN O=C([O-])[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(O)cc1 ZINC001602188997 1096110625 /nfs/dbraw/zinc/11/06/25/1096110625.db2.gz OYJOBLRLFUCNTJ-DLBZAZTESA-N 0 1 342.351 2.601 20 5 EFBDMN O=C([O-])c1csc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001602562172 1096299926 /nfs/dbraw/zinc/29/99/26/1096299926.db2.gz RLBRJTLAEXBRGK-UHFFFAOYSA-N 0 1 332.341 2.521 20 5 EFBDMN CC(C)(C)C1=CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001603062185 1096428815 /nfs/dbraw/zinc/42/88/15/1096428815.db2.gz BCARZOVERPNYJI-UHFFFAOYSA-N 0 1 342.403 2.953 20 5 EFBDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001603804775 1096632721 /nfs/dbraw/zinc/63/27/21/1096632721.db2.gz RIJPUHNGRVFCKV-UHFFFAOYSA-N 0 1 346.387 2.538 20 5 EFBDMN C[C@](CC(=O)[O-])([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC001604090206 1096729060 /nfs/dbraw/zinc/72/90/60/1096729060.db2.gz KAEXWMZTSJOYCW-MRXNPFEDSA-N 0 1 333.319 2.609 20 5 EFBDMN CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604286256 1096795691 /nfs/dbraw/zinc/79/56/91/1096795691.db2.gz YWQLPGKFLLAISO-LBPRGKRZSA-N 0 1 347.423 2.697 20 5 EFBDMN CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604286256 1096795700 /nfs/dbraw/zinc/79/57/00/1096795700.db2.gz YWQLPGKFLLAISO-LBPRGKRZSA-N 0 1 347.423 2.697 20 5 EFBDMN CC1(C)C[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC001604546450 1096900346 /nfs/dbraw/zinc/90/03/46/1096900346.db2.gz UQSGPFDPUHFLCZ-INIZCTEOSA-N 0 1 334.372 2.679 20 5 EFBDMN C[C@@H]1C[C@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001604677420 1096929622 /nfs/dbraw/zinc/92/96/22/1096929622.db2.gz ROXDQICIXAUIHR-BDAKNGLRSA-N 0 1 339.779 2.984 20 5 EFBDMN CCCCCC[N@@H+](C)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001605267588 1097074245 /nfs/dbraw/zinc/07/42/45/1097074245.db2.gz PHMYCHNOIYPMGI-UHFFFAOYSA-N 0 1 337.376 2.744 20 5 EFBDMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC001606154501 1097331257 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XJZKJLRRWQPQMC-UHFFFAOYSA-N 0 1 342.403 2.787 20 5 EFBDMN C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C(=O)[O-])O1 ZINC001607438558 1097628919 /nfs/dbraw/zinc/62/89/19/1097628919.db2.gz RVMMUUZZBNWDBX-BZNIZROVSA-N 0 1 346.339 2.529 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C(=O)[O-])O1 ZINC001607438558 1097628921 /nfs/dbraw/zinc/62/89/21/1097628921.db2.gz RVMMUUZZBNWDBX-BZNIZROVSA-N 0 1 346.339 2.529 20 5 EFBDMN C[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607453378 1097632186 /nfs/dbraw/zinc/63/21/86/1097632186.db2.gz BFRVPTYPPGOEHB-CYBMUJFWSA-N 0 1 344.367 2.676 20 5 EFBDMN O=C([O-])C12CCC(CC1)[N@H+]2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001608583934 1097961310 /nfs/dbraw/zinc/96/13/10/1097961310.db2.gz MDROMOOYZRBCLA-UHFFFAOYSA-N 0 1 343.339 2.831 20 5 EFBDMN O=C([O-])COc1ccc(C[NH+]2CC3(C2)CCCCC3)cc1[N+](=O)[O-] ZINC001608758993 1098011013 /nfs/dbraw/zinc/01/10/13/1098011013.db2.gz QGWGHIRVFYJHPG-UHFFFAOYSA-N 0 1 334.372 2.824 20 5 EFBDMN O=C([O-])c1c(Cl)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001608830495 1098035589 /nfs/dbraw/zinc/03/55/89/1098035589.db2.gz QGHIBPSBQUDZDE-VHSXEESVSA-N 0 1 339.779 2.985 20 5 EFBDMN CC(C)(NCc1ccccc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001609085099 1098136787 /nfs/dbraw/zinc/13/67/87/1098136787.db2.gz XCBQANFZHCKSID-UHFFFAOYSA-N 0 1 338.371 2.800 20 5 EFBDMN CC(C)(NCc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001609084906 1098136892 /nfs/dbraw/zinc/13/68/92/1098136892.db2.gz KDSFLHMXENRQRJ-UHFFFAOYSA-N 0 1 338.371 2.800 20 5 EFBDMN C[C@](CC(=O)[O-])([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccn1 ZINC001609730449 1098440496 /nfs/dbraw/zinc/44/04/96/1098440496.db2.gz QPYNIKBIBKYLET-MRXNPFEDSA-N 0 1 333.319 2.609 20 5 EFBDMN C[C@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001609784149 1098457316 /nfs/dbraw/zinc/45/73/16/1098457316.db2.gz ADOICKBBLVHEGC-NWDGAFQWSA-N 0 1 348.403 2.753 20 5 EFBDMN COc1ccc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001225772952 1098503557 /nfs/dbraw/zinc/50/35/57/1098503557.db2.gz SCISPWYRNPHWCK-OKILXGFUSA-N 0 1 336.388 2.626 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)n1 ZINC001610436730 1098676790 /nfs/dbraw/zinc/67/67/90/1098676790.db2.gz BFRHVYVEVDKWCB-ZYHUDNBSSA-N 0 1 336.392 2.529 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC001610842417 1098928262 /nfs/dbraw/zinc/92/82/62/1098928262.db2.gz WQRJYNFJVNOARG-UONOGXRCSA-N 0 1 348.399 2.932 20 5 EFBDMN CN1CC2(C1)CCCN(C(=O)c1cccc3nc4ccccc4nc31)C2 ZINC001271026780 1100390769 /nfs/dbraw/zinc/39/07/69/1100390769.db2.gz FFJFHJFJGGQGQM-UHFFFAOYSA-N 0 1 346.434 2.951 20 5 EFBDMN O=C(C[C@@H]1CCCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840383255 1101050160 /nfs/dbraw/zinc/05/01/60/1101050160.db2.gz SULXYUGEJKAOBS-ARFHVFGLSA-N 0 1 330.384 2.696 20 5 EFBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000840463725 1101082773 /nfs/dbraw/zinc/08/27/73/1101082773.db2.gz KOYVDGJSUPXTJF-LPBLVHEISA-N 0 1 337.685 2.596 20 5 EFBDMN Cc1cc(C(C)(C)NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1Br ZINC000840462055 1101086583 /nfs/dbraw/zinc/08/65/83/1101086583.db2.gz KXDHFVIXIXXLCB-ZYHUDNBSSA-N 0 1 341.205 2.774 20 5 EFBDMN CC(C)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccccc1Cl ZINC000840672735 1101216164 /nfs/dbraw/zinc/21/61/64/1101216164.db2.gz MKUYQUZFYHUZFR-OASPWFOLSA-N 0 1 340.763 2.512 20 5 EFBDMN CC(C)NCc1cn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)nn1 ZINC000905797748 1103616632 /nfs/dbraw/zinc/61/66/32/1103616632.db2.gz JJSFCECUQWIIIT-UHFFFAOYSA-N 0 1 333.392 2.520 20 5 EFBDMN Cc1cc(C)n(-c2ccc(CNCC[N+](=O)[O-])c(C(F)(F)F)c2)n1 ZINC000905059439 1108382762 /nfs/dbraw/zinc/38/27/62/1108382762.db2.gz HDABFNQLYIBTID-UHFFFAOYSA-N 0 1 342.321 2.874 20 5 EFBDMN COc1cc(OC)cc(Oc2cccc(CNCC[N+](=O)[O-])c2)c1 ZINC000905258290 1108548316 /nfs/dbraw/zinc/54/83/16/1108548316.db2.gz ZKFHIWUFMMQROI-UHFFFAOYSA-N 0 1 332.356 2.862 20 5 EFBDMN CCN1CCCC[C@@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898462149 1108954241 /nfs/dbraw/zinc/95/42/41/1108954241.db2.gz NDDWATAROZWYKS-OAHLLOKOSA-N 0 1 328.372 2.956 20 5 EFBDMN CN(CC1CCCC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154723451 1112122103 /nfs/dbraw/zinc/12/21/03/1112122103.db2.gz GASHOUBSZJVKAY-UHFFFAOYSA-N 0 1 332.404 2.916 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)CCCc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000171804133 529465110 /nfs/dbraw/zinc/46/51/10/529465110.db2.gz AJRNMAUROLTMDA-UHFFFAOYSA-N 0 1 346.387 2.594 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)c1[N+](=O)[O-] ZINC000181918868 529465128 /nfs/dbraw/zinc/46/51/28/529465128.db2.gz BCSFBDBLBBCBHO-UHFFFAOYSA-N 0 1 342.277 2.570 20 5 EFBDMN Cc1nccc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1Cl ZINC000413336273 282187582 /nfs/dbraw/zinc/18/75/82/282187582.db2.gz QPGLVLQLOYQVQP-UHFFFAOYSA-N 0 1 333.779 2.673 20 5 EFBDMN COCCNCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000101588747 219143365 /nfs/dbraw/zinc/14/33/65/219143365.db2.gz XWQJKHVKANDCCM-UHFFFAOYSA-N 0 1 346.383 2.918 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](c1ccco1)N(C)C ZINC000101589064 219143554 /nfs/dbraw/zinc/14/35/54/219143554.db2.gz ZCDLTRPLQSBOKZ-HNNXBMFYSA-N 0 1 333.388 2.979 20 5 EFBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000178687912 232379171 /nfs/dbraw/zinc/37/91/71/232379171.db2.gz KSFQQWYCVUKXDF-VHSXEESVSA-N 0 1 333.310 2.621 20 5 EFBDMN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)[nH]1 ZINC000103254498 219276856 /nfs/dbraw/zinc/27/68/56/219276856.db2.gz QWVKPZFPVNLZDA-UHFFFAOYSA-N 0 1 344.375 2.510 20 5 EFBDMN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1 ZINC000103254498 219276859 /nfs/dbraw/zinc/27/68/59/219276859.db2.gz QWVKPZFPVNLZDA-UHFFFAOYSA-N 0 1 344.375 2.510 20 5 EFBDMN CC(C)CN1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000352030224 535090910 /nfs/dbraw/zinc/09/09/10/535090910.db2.gz ZZXJIGUMMVGBIV-UHFFFAOYSA-N 0 1 333.432 2.673 20 5 EFBDMN Cc1cc(N[C@@H](C)CN2CCCC2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000181462146 234194765 /nfs/dbraw/zinc/19/47/65/234194765.db2.gz CXZTVDLGEBMERG-LBPRGKRZSA-N 0 1 328.372 2.874 20 5 EFBDMN N=C1Nc2nc3ccccc3n2[C@H](c2ccc([N+](=O)[O-])cc2F)N1 ZINC000349161113 283271129 /nfs/dbraw/zinc/27/11/29/283271129.db2.gz SJHBAUNSRPMYJB-CYBMUJFWSA-N 0 1 326.291 2.580 20 5 EFBDMN CCOC[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000072976958 216336164 /nfs/dbraw/zinc/33/61/64/216336164.db2.gz HUFBCWCGUZIVCJ-CYBMUJFWSA-N 0 1 346.387 2.893 20 5 EFBDMN O=C(CN1CCC[C@@H]2CCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173557693 239193568 /nfs/dbraw/zinc/19/35/68/239193568.db2.gz LIINTOPFQOKGBE-BBRMVZONSA-N 0 1 329.400 2.748 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)[C@@](C)(N)c2ccccc2)cc1[N+](=O)[O-] ZINC000192507606 239755535 /nfs/dbraw/zinc/75/55/35/239755535.db2.gz UOLKUQHTCREYCZ-ACJLOTCBSA-N 0 1 327.384 2.955 20 5 EFBDMN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCN(C)C1 ZINC000132615707 223347072 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EFBDMN CCNc1ccc(C(=O)N2[C@@H](C)CN(CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000344462265 142021139 /nfs/dbraw/zinc/02/11/39/142021139.db2.gz QTGAWNVGEOZGAI-STQMWFEESA-N 0 1 334.420 2.581 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000345898296 142114100 /nfs/dbraw/zinc/11/41/00/142114100.db2.gz CRIFEHZVKBKLGF-STQMWFEESA-N 0 1 344.415 2.560 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000345923049 142118495 /nfs/dbraw/zinc/11/84/95/142118495.db2.gz PZUFMXHICFLMBI-QWRGUYRKSA-N 0 1 325.796 2.803 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1C ZINC000345938411 142120804 /nfs/dbraw/zinc/12/08/04/142120804.db2.gz BXWSKZKDCCKEPY-RYUDHWBXSA-N 0 1 330.388 2.631 20 5 EFBDMN O=C(NCCCNc1cccc(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000346093906 142145818 /nfs/dbraw/zinc/14/58/18/142145818.db2.gz SCUGHHFUYNWNAW-UHFFFAOYSA-N 0 1 333.319 2.672 20 5 EFBDMN COc1cc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000346249440 142176538 /nfs/dbraw/zinc/17/65/38/142176538.db2.gz XPSLFPMOHIMXFD-CYBMUJFWSA-N 0 1 344.371 2.853 20 5 EFBDMN CCc1ccc([C@H](NCCCC(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346500352 142212801 /nfs/dbraw/zinc/21/28/01/142212801.db2.gz ULPWWBQFUAABFS-GOSISDBHSA-N 0 1 345.399 2.955 20 5 EFBDMN O=C([C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000347442568 142217403 /nfs/dbraw/zinc/21/74/03/142217403.db2.gz HLCCVBCILPCTID-LBPRGKRZSA-N 0 1 337.807 2.693 20 5 EFBDMN COc1cc([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000347545030 142233873 /nfs/dbraw/zinc/23/38/73/142233873.db2.gz UHHKHZIFRKTTGS-LBPRGKRZSA-N 0 1 344.371 2.596 20 5 EFBDMN COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347564488 142236562 /nfs/dbraw/zinc/23/65/62/142236562.db2.gz UXPXUIKMKCFDKN-RYUDHWBXSA-N 0 1 344.371 2.676 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000347909195 142291362 /nfs/dbraw/zinc/29/13/62/142291362.db2.gz RNQRRMJSKCCIPX-AGIUHOORSA-N 0 1 337.395 2.779 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000347909200 142291404 /nfs/dbraw/zinc/29/14/04/142291404.db2.gz RNQRRMJSKCCIPX-FRRDWIJNSA-N 0 1 337.395 2.779 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000347909197 142291416 /nfs/dbraw/zinc/29/14/16/142291416.db2.gz RNQRRMJSKCCIPX-AVGNSLFASA-N 0 1 337.395 2.779 20 5 EFBDMN CN(CCn1cc(Br)cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000348060524 142315101 /nfs/dbraw/zinc/31/51/01/142315101.db2.gz HHVBDBCRYYCSNP-UHFFFAOYSA-N 0 1 339.193 2.686 20 5 EFBDMN CSc1ccc(C(=O)NCCN2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000349975352 142385879 /nfs/dbraw/zinc/38/58/79/142385879.db2.gz RFMPLKLFADOIIO-UHFFFAOYSA-N 0 1 335.429 2.699 20 5 EFBDMN O=C(N=c1ccc2cc([N+](=O)[O-])ccc2[nH]1)c1snnc1C1CC1 ZINC000354807557 146791410 /nfs/dbraw/zinc/79/14/10/146791410.db2.gz IWIGEPPCNNWPCX-UHFFFAOYSA-N 0 1 341.352 2.546 20 5 EFBDMN Cc1nc([C@H]2CCCCN2C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000338440652 144672896 /nfs/dbraw/zinc/67/28/96/144672896.db2.gz ONEQXURDNCOQAA-CYBMUJFWSA-N 0 1 348.338 2.920 20 5 EFBDMN COc1ccc([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000341207265 145013067 /nfs/dbraw/zinc/01/30/67/145013067.db2.gz JWRCDYBUTOEJKG-GFCCVEGCSA-N 0 1 329.356 2.893 20 5 EFBDMN COc1cccc([C@@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000341208178 145013258 /nfs/dbraw/zinc/01/32/58/145013258.db2.gz KXIOSONMWNPHSR-LLVKDONJSA-N 0 1 329.356 2.553 20 5 EFBDMN COc1ccc([C@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000341221268 145016028 /nfs/dbraw/zinc/01/60/28/145016028.db2.gz UMYGFGRIBJEYJP-NSHDSACASA-N 0 1 329.356 2.553 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CCO)c1ccccc1 ZINC000341225549 145016694 /nfs/dbraw/zinc/01/66/94/145016694.db2.gz ZVXFMCNBUCCGJD-MRXNPFEDSA-N 0 1 343.383 2.555 20 5 EFBDMN COc1cccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c1 ZINC000341327339 145033957 /nfs/dbraw/zinc/03/39/57/145033957.db2.gz ZNKUGNYPPFTCQK-UHFFFAOYSA-N 0 1 328.324 2.728 20 5 EFBDMN Cc1ccccc1-n1cc(CNCCc2cccc([N+](=O)[O-])c2)nn1 ZINC000342166281 145073687 /nfs/dbraw/zinc/07/36/87/145073687.db2.gz OJZKVIQHWAPLRK-UHFFFAOYSA-N 0 1 337.383 2.816 20 5 EFBDMN Cc1ccccc1-n1cc(CNCCc2ccccc2[N+](=O)[O-])nn1 ZINC000342179082 145076058 /nfs/dbraw/zinc/07/60/58/145076058.db2.gz YDASOKUKPXNCMK-UHFFFAOYSA-N 0 1 337.383 2.816 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000342235131 145084679 /nfs/dbraw/zinc/08/46/79/145084679.db2.gz IOHUXANZKMEBCP-UKRRQHHQSA-N 0 1 330.388 2.586 20 5 EFBDMN Cc1nc(NS(=O)(=O)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000342467540 145132985 /nfs/dbraw/zinc/13/29/85/145132985.db2.gz WIVAKLVWFXTBPZ-UHFFFAOYSA-N 0 1 341.776 2.894 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N(C)CC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342584799 145153280 /nfs/dbraw/zinc/15/32/80/145153280.db2.gz IDWHZQPZYOJBAB-UONOGXRCSA-N 0 1 335.404 2.731 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccoc1 ZINC000342631577 145162625 /nfs/dbraw/zinc/16/26/25/145162625.db2.gz GDKQUMWAGOKDFM-UHFFFAOYSA-N 0 1 333.344 2.657 20 5 EFBDMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000342769342 145188526 /nfs/dbraw/zinc/18/85/26/145188526.db2.gz OATGLKWPGRJNGZ-UHFFFAOYSA-N 0 1 348.322 2.909 20 5 EFBDMN O=C1NC[C@H]2[C@@H]1CCCN2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000343627031 145255933 /nfs/dbraw/zinc/25/59/33/145255933.db2.gz UPOSQMQLCWJSHL-HOTGVXAUSA-N 0 1 341.367 2.565 20 5 EFBDMN CC[C@H]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000343912630 145322471 /nfs/dbraw/zinc/32/24/71/145322471.db2.gz SSHSCRSVBHTVMY-AWEZNQCLSA-N 0 1 331.416 2.996 20 5 EFBDMN Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000351781488 146202471 /nfs/dbraw/zinc/20/24/71/146202471.db2.gz ZJTJLHGYRBAMPK-LBPRGKRZSA-N 0 1 339.355 2.711 20 5 EFBDMN COc1ccc(OCCN2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000353021936 146376597 /nfs/dbraw/zinc/37/65/97/146376597.db2.gz LCOOTELWIPIOND-LLVKDONJSA-N 0 1 346.330 2.543 20 5 EFBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000355604373 147010043 /nfs/dbraw/zinc/01/00/43/147010043.db2.gz INTDPUBKLFBZPX-UHFFFAOYSA-N 0 1 336.258 2.693 20 5 EFBDMN COC(=O)COc1ccc(CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000355607243 147011280 /nfs/dbraw/zinc/01/12/80/147011280.db2.gz NKXUBSSLJTXJPU-UHFFFAOYSA-N 0 1 344.367 2.779 20 5 EFBDMN Cc1n[nH]c(C(F)F)c1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000355615511 147013160 /nfs/dbraw/zinc/01/31/60/147013160.db2.gz FTROQEQSIDSQJW-UHFFFAOYSA-N 0 1 326.259 2.581 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)CCC3CC3)n[nH]2)c1 ZINC000356035118 147128946 /nfs/dbraw/zinc/12/89/46/147128946.db2.gz JRALSJMMCXTJDF-UHFFFAOYSA-N 0 1 336.373 2.527 20 5 EFBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000356218144 147178382 /nfs/dbraw/zinc/17/83/82/147178382.db2.gz LGXMUPBYHPLODC-SECBINFHSA-N 0 1 326.312 2.668 20 5 EFBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000356218147 147178940 /nfs/dbraw/zinc/17/89/40/147178940.db2.gz LGXMUPBYHPLODC-VIFPVBQESA-N 0 1 326.312 2.668 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(F)(c2cccnc2)CC1 ZINC000356328774 147212872 /nfs/dbraw/zinc/21/28/72/147212872.db2.gz FBCWFYZNDXWQDZ-UHFFFAOYSA-N 0 1 345.330 2.796 20 5 EFBDMN O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356357649 147222735 /nfs/dbraw/zinc/22/27/35/147222735.db2.gz ZEUHBOZPFOUYNW-UHFFFAOYSA-N 0 1 342.286 2.878 20 5 EFBDMN Cc1ccccc1-c1cc(=NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH][nH]1 ZINC000356501814 147262120 /nfs/dbraw/zinc/26/21/20/147262120.db2.gz CAYMOVUJVMKNFZ-UHFFFAOYSA-N 0 1 338.323 2.673 20 5 EFBDMN O=C(N=c1cc(C2CCCCC2)[nH][nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356569860 147279549 /nfs/dbraw/zinc/27/95/49/147279549.db2.gz AJIXVUXIYOQRPK-UHFFFAOYSA-N 0 1 330.344 2.745 20 5 EFBDMN CCOc1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1OC ZINC000356576528 147281202 /nfs/dbraw/zinc/28/12/02/147281202.db2.gz LTGQTYKQWUJUER-UHFFFAOYSA-N 0 1 346.339 2.638 20 5 EFBDMN O=C(Nc1cc(-c2ccccc2)on1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356605848 147289530 /nfs/dbraw/zinc/28/95/30/147289530.db2.gz FWENJZCQEDBLRG-UHFFFAOYSA-N 0 1 325.280 2.630 20 5 EFBDMN O=C(N[C@H]1COc2cccc(Cl)c21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356610347 147289821 /nfs/dbraw/zinc/28/98/21/147289821.db2.gz BZXPRUXBKWSNRP-LBPRGKRZSA-N 0 1 334.715 2.817 20 5 EFBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000356616978 147291336 /nfs/dbraw/zinc/29/13/36/147291336.db2.gz HEQFTIKLLRXILX-VIFPVBQESA-N 0 1 335.389 2.706 20 5 EFBDMN O=C(NCc1ccnc(OC2CCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356734581 147322654 /nfs/dbraw/zinc/32/26/54/147322654.db2.gz VSVKBXGLHSPVMM-UHFFFAOYSA-N 0 1 343.339 2.557 20 5 EFBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000356735097 147322682 /nfs/dbraw/zinc/32/26/82/147322682.db2.gz WLBPUIHSEKLUGW-VKTRGTBVSA-N 0 1 348.380 2.529 20 5 EFBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000356738158 147323116 /nfs/dbraw/zinc/32/31/16/147323116.db2.gz ZNGPSSCCIQLABB-MEBBXXQBSA-N 0 1 328.324 2.595 20 5 EFBDMN COCc1nc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2o1 ZINC000356806413 147340609 /nfs/dbraw/zinc/34/06/09/147340609.db2.gz TVDSJMDZDZLORJ-UHFFFAOYSA-N 0 1 343.295 2.840 20 5 EFBDMN COCCCOc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356808712 147341762 /nfs/dbraw/zinc/34/17/62/147341762.db2.gz YURZJUFIWUGIRV-UHFFFAOYSA-N 0 1 346.339 2.968 20 5 EFBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccccc1OC)N(C)C ZINC000359382225 148071694 /nfs/dbraw/zinc/07/16/94/148071694.db2.gz QJRQDCMWZPNUCK-AWEZNQCLSA-N 0 1 347.419 2.843 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000359536556 148113694 /nfs/dbraw/zinc/11/36/94/148113694.db2.gz XELCIRAKQDQMNE-STQMWFEESA-N 0 1 334.420 2.527 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(=NCc3ncnn3-c3ccccc3)ccc2c1 ZINC000359844811 148205897 /nfs/dbraw/zinc/20/58/97/148205897.db2.gz KTWURBLABUAAKT-UHFFFAOYSA-N 0 1 346.350 2.758 20 5 EFBDMN Cc1noc2ncc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc12 ZINC000360232096 148306174 /nfs/dbraw/zinc/30/61/74/148306174.db2.gz YQKDKDQKQPJKLU-UHFFFAOYSA-N 0 1 348.340 2.549 20 5 EFBDMN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360315961 148329534 /nfs/dbraw/zinc/32/95/34/148329534.db2.gz FOMPTVLLWGPBSB-AYVTZFPOSA-N 0 1 332.287 2.692 20 5 EFBDMN Cc1cc2[nH]ncc2cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000360445910 148364009 /nfs/dbraw/zinc/36/40/09/148364009.db2.gz SKALVYJAOLJAMH-UHFFFAOYSA-N 0 1 325.328 2.830 20 5 EFBDMN Cc1c(CNC(=O)c2cc(F)cc3nc[nH]c32)cccc1[N+](=O)[O-] ZINC000360514004 148380692 /nfs/dbraw/zinc/38/06/92/148380692.db2.gz FCSGEIHGDJNUKI-UHFFFAOYSA-N 0 1 328.303 2.849 20 5 EFBDMN O=C1C[C@H](NCc2cccc([N+](=O)[O-])c2)CN1c1ccccc1F ZINC000361228044 148575948 /nfs/dbraw/zinc/57/59/48/148575948.db2.gz JOPHFULVMFOYPF-ZDUSSCGKSA-N 0 1 329.331 2.629 20 5 EFBDMN Cc1nn(C)cc1[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000363928694 149032749 /nfs/dbraw/zinc/03/27/49/149032749.db2.gz ZFGHLCPBRRSDCJ-OAHLLOKOSA-N 0 1 330.388 2.853 20 5 EFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000368757353 150197897 /nfs/dbraw/zinc/19/78/97/150197897.db2.gz NHBFOEHBUNSYIX-CYZMBNFOSA-N 0 1 328.290 2.687 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3CCO[C@@H]3C3CC3)co2)cc1 ZINC000368903388 150233851 /nfs/dbraw/zinc/23/38/51/150233851.db2.gz GJXDLPHJZNEHBZ-HZPDHXFCSA-N 0 1 329.356 2.907 20 5 EFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000368926301 150237422 /nfs/dbraw/zinc/23/74/22/150237422.db2.gz HBTYIJRFTKATRB-OASPWFOLSA-N 0 1 345.182 2.559 20 5 EFBDMN Cc1ccc([C@H](NCCn2ccc([N+](=O)[O-])n2)c2ccccn2)cc1 ZINC000369304110 150324489 /nfs/dbraw/zinc/32/44/89/150324489.db2.gz XTHZUHOIPLRVCW-SFHVURJKSA-N 0 1 337.383 2.874 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCS[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000373071264 151108162 /nfs/dbraw/zinc/10/81/62/151108162.db2.gz RQZUVLLNMMRTAY-ZDUSSCGKSA-N 0 1 346.412 2.811 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]([C@H]4CCOC4)C3)n2)c1 ZINC000374394993 151338290 /nfs/dbraw/zinc/33/82/90/151338290.db2.gz RNVYIYZTWJLQJZ-KGLIPLIRSA-N 0 1 344.371 2.503 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCC([C@@H]3CCOC3)CC2)c2c(c1)COCO2 ZINC000374597702 151377450 /nfs/dbraw/zinc/37/74/50/151377450.db2.gz WDOJCYCBNKKGHJ-CQSZACIVSA-N 0 1 348.399 2.710 20 5 EFBDMN Cc1ccc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378302889 152051580 /nfs/dbraw/zinc/05/15/80/152051580.db2.gz AYEAMJAVIHXXPM-IRXDYDNUSA-N 0 1 339.395 2.731 20 5 EFBDMN Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378302887 152051945 /nfs/dbraw/zinc/05/19/45/152051945.db2.gz AYEAMJAVIHXXPM-IAGOWNOFSA-N 0 1 339.395 2.731 20 5 EFBDMN CS[C@@H]1CCCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000123213884 222236377 /nfs/dbraw/zinc/23/63/77/222236377.db2.gz NEVSBFPDPDDIAF-LLVKDONJSA-N 0 1 334.401 2.829 20 5 EFBDMN CS[C@H]1CCCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000123214104 222237195 /nfs/dbraw/zinc/23/71/95/222237195.db2.gz NEVSBFPDPDDIAF-NSHDSACASA-N 0 1 334.401 2.829 20 5 EFBDMN C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)N1CCN(C)CC1 ZINC000123531213 222292747 /nfs/dbraw/zinc/29/27/47/222292747.db2.gz PNLLNEBWSBXCNE-JTQLQIEISA-N 0 1 347.246 2.949 20 5 EFBDMN C[C@@H](CN1CCN(C)CC1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000124141005 222381714 /nfs/dbraw/zinc/38/17/14/222381714.db2.gz GKROCJHOCNGWBF-JTQLQIEISA-N 0 1 347.246 2.949 20 5 EFBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000187164966 265088742 /nfs/dbraw/zinc/08/87/42/265088742.db2.gz UKYCIWPWLGZVKO-UHFFFAOYSA-N 0 1 344.295 2.682 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CCSC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000190459481 265224006 /nfs/dbraw/zinc/22/40/06/265224006.db2.gz DYBWNYYXENRSDR-YPMHNXCESA-N 0 1 337.445 2.915 20 5 EFBDMN O=C(NCCCc1cccc(C(F)(F)F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000270665831 265772223 /nfs/dbraw/zinc/77/22/23/265772223.db2.gz OCDHUHDZTJKNIX-UHFFFAOYSA-N 0 1 342.277 2.699 20 5 EFBDMN C[C@H](CN1CCCCC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272512193 266289643 /nfs/dbraw/zinc/28/96/43/266289643.db2.gz KHAURDRLVAYHCC-GFCCVEGCSA-N 0 1 341.358 2.677 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCN(c2ccccc2)CC1 ZINC000272543350 266300956 /nfs/dbraw/zinc/30/09/56/266300956.db2.gz JTAILQWBWPMEPO-UHFFFAOYSA-N 0 1 341.367 2.653 20 5 EFBDMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272555623 266306471 /nfs/dbraw/zinc/30/64/71/266306471.db2.gz MTQPNCFOBCKWRY-ZDUSSCGKSA-N 0 1 343.383 2.551 20 5 EFBDMN Cn1ccnc1[C@@H](NCC1(C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272574917 266312634 /nfs/dbraw/zinc/31/26/34/266312634.db2.gz WWPNUEGCZWJXJN-INIZCTEOSA-N 0 1 344.415 2.824 20 5 EFBDMN CN1CC[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@@H]2C1 ZINC000272579130 266313866 /nfs/dbraw/zinc/31/38/66/266313866.db2.gz GOCWKZPHDWLEGK-SMDDNHRTSA-N 0 1 345.424 2.976 20 5 EFBDMN C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000272606056 266325340 /nfs/dbraw/zinc/32/53/40/266325340.db2.gz ROCZBENYFNRQHB-ZDUSSCGKSA-N 0 1 344.367 2.883 20 5 EFBDMN Cc1ccc([C@H](C)N[C@H](Cc2ccccc2)C(N)=O)cc1[N+](=O)[O-] ZINC000273448338 266500779 /nfs/dbraw/zinc/50/07/79/266500779.db2.gz XOFCCVYVLHTWDP-XJKSGUPXSA-N 0 1 327.384 2.650 20 5 EFBDMN CCCNC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276908898 267073565 /nfs/dbraw/zinc/07/35/65/267073565.db2.gz NBMSHWNUWGJOCX-OAHLLOKOSA-N 0 1 349.431 2.732 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2ccncc2)CC1 ZINC000277125202 267118508 /nfs/dbraw/zinc/11/85/08/267118508.db2.gz FYOCEZUOAYLIQR-UHFFFAOYSA-N 0 1 327.340 2.715 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000277141631 267119973 /nfs/dbraw/zinc/11/99/73/267119973.db2.gz VIFAFEIYGXXCHP-MNOVXSKESA-N 0 1 346.391 2.516 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000277141635 267120196 /nfs/dbraw/zinc/12/01/96/267120196.db2.gz VIFAFEIYGXXCHP-WDEREUQCSA-N 0 1 346.391 2.516 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000278037654 267326666 /nfs/dbraw/zinc/32/66/66/267326666.db2.gz ZCHPFZOCLLBBFA-GHMZBOCLSA-N 0 1 331.376 2.646 20 5 EFBDMN CN(CCOc1ccccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269666912 273088001 /nfs/dbraw/zinc/08/80/01/273088001.db2.gz MJWUIMIWQICBHY-MRXNPFEDSA-N 0 1 334.347 2.778 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC000271110611 273098238 /nfs/dbraw/zinc/09/82/38/273098238.db2.gz ITYIZPHOFOYXNY-QMMMGPOBSA-N 0 1 337.767 2.981 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000277066265 273145439 /nfs/dbraw/zinc/14/54/39/273145439.db2.gz KSBZZNBRRMBURI-CYBMUJFWSA-N 0 1 349.412 2.698 20 5 EFBDMN C[C@H](N[C@@H]1CCC[C@H]1CCO)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279219805 273189845 /nfs/dbraw/zinc/18/98/45/273189845.db2.gz HWLHHBYLNQPPEN-SLEUVZQESA-N 0 1 346.387 2.847 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279389433 273210011 /nfs/dbraw/zinc/21/00/11/273210011.db2.gz UDZMUMGBPIDFCJ-CXAGYDPISA-N 0 1 347.415 2.731 20 5 EFBDMN CCOc1ccc([C@@H](C)NCc2ccc(C)n(C)c2=O)cc1[N+](=O)[O-] ZINC000279632024 273236234 /nfs/dbraw/zinc/23/62/34/273236234.db2.gz ZHBRHQJFURJURQ-CYBMUJFWSA-N 0 1 345.399 2.851 20 5 EFBDMN C[C@@H](O)C[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279695305 273243233 /nfs/dbraw/zinc/24/32/33/273243233.db2.gz GLRHRTHTQGXDFH-TZMCWYRMSA-N 0 1 346.387 2.770 20 5 EFBDMN CC(C)(C)[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000279766363 273251038 /nfs/dbraw/zinc/25/10/38/273251038.db2.gz MRCPQMOLBSLCPX-OAHLLOKOSA-N 0 1 335.404 2.670 20 5 EFBDMN Cn1ccnc1[C@H](NC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000279837903 273259193 /nfs/dbraw/zinc/25/91/93/273259193.db2.gz NUMSWRIBOBIQRA-SWLSCSKDSA-N 0 1 332.429 2.760 20 5 EFBDMN CO[C@]1(C)CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280536571 273338403 /nfs/dbraw/zinc/33/84/03/273338403.db2.gz PKJBSBGRTAQIMK-CXAGYDPISA-N 0 1 335.404 2.813 20 5 EFBDMN CC(C)CN1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436258582 273513448 /nfs/dbraw/zinc/51/34/48/273513448.db2.gz IEIDSHXLPFLHOH-UHFFFAOYSA-N 0 1 332.326 2.787 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H](CN2CCOCC2)C1 ZINC000282218434 273530982 /nfs/dbraw/zinc/53/09/82/273530982.db2.gz JXHJUTWJXLQJNO-CYBMUJFWSA-N 0 1 339.823 2.797 20 5 EFBDMN Nc1ccc([N+](=O)[O-])c(N2CCN(CCc3cccs3)CC2)c1 ZINC000282307173 273543837 /nfs/dbraw/zinc/54/38/37/273543837.db2.gz XXVRMFPBNDKYQF-UHFFFAOYSA-N 0 1 332.429 2.603 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC=C(c3ccco3)C2)c1 ZINC000285440268 274000139 /nfs/dbraw/zinc/00/01/39/274000139.db2.gz XNACODUAHQNXLL-MRXNPFEDSA-N 0 1 344.367 2.717 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000285894287 274095919 /nfs/dbraw/zinc/09/59/19/274095919.db2.gz DENURQBADIYHAK-CQSZACIVSA-N 0 1 340.343 2.562 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCCC[C@H]1C[C@H](C)O ZINC000286065007 274126266 /nfs/dbraw/zinc/12/62/66/274126266.db2.gz RQKPUWOIRGRODG-GJZGRUSLSA-N 0 1 349.431 2.857 20 5 EFBDMN C[C@H](O)C[C@@H]1CCCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286091555 274131503 /nfs/dbraw/zinc/13/15/03/274131503.db2.gz SVRTUASDAQWTOF-KBPBESRZSA-N 0 1 335.404 2.549 20 5 EFBDMN CCCN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000286097603 274132894 /nfs/dbraw/zinc/13/28/94/274132894.db2.gz FANVISZVNAKYFL-UHFFFAOYSA-N 0 1 325.434 2.994 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC=C(c3ccncc3)C2)c1[N+](=O)[O-] ZINC000286342166 274182189 /nfs/dbraw/zinc/18/21/89/274182189.db2.gz ZYAMIORJLYZUEI-UHFFFAOYSA-N 0 1 341.371 2.766 20 5 EFBDMN CCN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000286380360 274189328 /nfs/dbraw/zinc/18/93/28/274189328.db2.gz GQSFHIZSDZXYTR-CYBMUJFWSA-N 0 1 330.388 2.776 20 5 EFBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000286434536 274200680 /nfs/dbraw/zinc/20/06/80/274200680.db2.gz QUURYWYBXKWDQE-ZCFIWIBFSA-N 0 1 343.265 2.531 20 5 EFBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1nnc2n1CCCC2 ZINC000449165761 274231121 /nfs/dbraw/zinc/23/11/21/274231121.db2.gz ATEYPLINVBXMKY-STQMWFEESA-N 0 1 329.404 2.804 20 5 EFBDMN CN1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000286752085 274265718 /nfs/dbraw/zinc/26/57/18/274265718.db2.gz OQBYRHVNTOROHZ-MRXNPFEDSA-N 0 1 326.400 2.540 20 5 EFBDMN CN(C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccco1 ZINC000286860291 274288282 /nfs/dbraw/zinc/28/82/82/274288282.db2.gz HCYHCVSZBQWOGP-JTQLQIEISA-N 0 1 333.373 2.907 20 5 EFBDMN CN(C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccco1 ZINC000286860296 274288308 /nfs/dbraw/zinc/28/83/08/274288308.db2.gz HCYHCVSZBQWOGP-SNVBAGLBSA-N 0 1 333.373 2.907 20 5 EFBDMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000268184919 274342515 /nfs/dbraw/zinc/34/25/15/274342515.db2.gz MBESBCVKBJIPNQ-YGRLFVJLSA-N 0 1 329.356 2.554 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccco1)N1CCCC1 ZINC000288156717 274537764 /nfs/dbraw/zinc/53/77/64/274537764.db2.gz OWPYSVLYUWUWHG-ZDUSSCGKSA-N 0 1 333.392 2.962 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(CC2CC2)CC1 ZINC000289765637 274818386 /nfs/dbraw/zinc/81/83/86/274818386.db2.gz KXKLEQUTPNJSKF-UHFFFAOYSA-N 0 1 332.404 2.717 20 5 EFBDMN O=[N+]([O-])c1cc(Br)ccc1N1CCN(CC2CC2)CC1 ZINC000048346394 275032922 /nfs/dbraw/zinc/03/29/22/275032922.db2.gz JIAQRIFDNQWXLS-UHFFFAOYSA-N 0 1 340.221 2.889 20 5 EFBDMN O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H](N2CC=CC2)C1 ZINC000268807270 275035179 /nfs/dbraw/zinc/03/51/79/275035179.db2.gz LCEXQGHYUZDVGS-GFCCVEGCSA-N 0 1 338.205 2.808 20 5 EFBDMN CC(C)CN1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136161875 275890728 /nfs/dbraw/zinc/89/07/28/275890728.db2.gz WNTFEJULGGYXDQ-UHFFFAOYSA-N 0 1 325.796 2.662 20 5 EFBDMN COC(=O)[C@H](C)[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339045397 277118257 /nfs/dbraw/zinc/11/82/57/277118257.db2.gz ONURQGGEPYZKKN-PXAZEXFGSA-N 0 1 344.367 2.940 20 5 EFBDMN CO[C@]1(C)C[C@@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000072897778 277359428 /nfs/dbraw/zinc/35/94/28/277359428.db2.gz DSIIUQMKZAENFD-CRAIPNDOSA-N 0 1 349.431 2.693 20 5 EFBDMN C[C@@H]1CC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000319227101 277666725 /nfs/dbraw/zinc/66/67/25/277666725.db2.gz UJXRIPQRLQLFLJ-UWVGGRQHSA-N 0 1 330.381 2.837 20 5 EFBDMN CS(=O)(=O)C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181793885 278107577 /nfs/dbraw/zinc/10/75/77/278107577.db2.gz VBWSROIZIQCPKQ-KRWDZBQOSA-N 0 1 348.424 2.513 20 5 EFBDMN C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000158529345 278271281 /nfs/dbraw/zinc/27/12/81/278271281.db2.gz QMZUMDMIPLJPPB-GXFFZTMASA-N 0 1 345.321 2.799 20 5 EFBDMN C[C@@H](NCc1cccc(NS(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000358088707 278358136 /nfs/dbraw/zinc/35/81/36/278358136.db2.gz QIDIESDMHGIOMC-GFCCVEGCSA-N 0 1 349.412 2.817 20 5 EFBDMN C[C@@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000343502851 278367750 /nfs/dbraw/zinc/36/77/50/278367750.db2.gz KVNVLEPSTUSLGH-MLGOLLRUSA-N 0 1 331.416 2.918 20 5 EFBDMN O=[N+]([O-])c1c(F)cccc1N1CCC(CCN2CCOCC2)CC1 ZINC000071899488 280353816 /nfs/dbraw/zinc/35/38/16/280353816.db2.gz YVBANPRABCNQIW-UHFFFAOYSA-N 0 1 337.395 2.673 20 5 EFBDMN CN(C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000056465517 292658290 /nfs/dbraw/zinc/65/82/90/292658290.db2.gz OGQOCRXUSHMNJY-CQSZACIVSA-N 0 1 348.428 2.758 20 5 EFBDMN O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000131198948 293189766 /nfs/dbraw/zinc/18/97/66/293189766.db2.gz XCEXKLDHNMYDKS-UHFFFAOYSA-N 0 1 334.763 2.823 20 5 EFBDMN COc1cc(C(=O)NC[C@@H](c2cccs2)N(C)C)ccc1[N+](=O)[O-] ZINC000159044640 293593675 /nfs/dbraw/zinc/59/36/75/293593675.db2.gz SNPCCUDWHDDWOH-ZDUSSCGKSA-N 0 1 349.412 2.698 20 5 EFBDMN CCC[N@@H+](CC)C[C@@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000290645148 294144962 /nfs/dbraw/zinc/14/49/62/294144962.db2.gz GCNIMLIGRJYRRO-SNVBAGLBSA-N 0 1 349.478 2.592 20 5 EFBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000290750577 294174755 /nfs/dbraw/zinc/17/47/55/294174755.db2.gz YKHVGJSHQLUDBF-DTORHVGOSA-N 0 1 334.298 2.819 20 5 EFBDMN CC(C)NC(=O)c1ccc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000290865972 294206908 /nfs/dbraw/zinc/20/69/08/294206908.db2.gz ZDURZDMPSMLDMU-OCCSQVGLSA-N 0 1 346.431 2.770 20 5 EFBDMN COCCCCc1cccnc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000291359865 294358313 /nfs/dbraw/zinc/35/83/13/294358313.db2.gz YFSLXLARENLMHH-UHFFFAOYSA-N 0 1 345.355 2.917 20 5 EFBDMN CCOCC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293323534 294940013 /nfs/dbraw/zinc/94/00/13/294940013.db2.gz RGEVRNOOZYWEFB-UHFFFAOYSA-N 0 1 329.784 2.591 20 5 EFBDMN COc1ccc(CN[C@H](c2cccnc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000293616173 295012127 /nfs/dbraw/zinc/01/21/27/295012127.db2.gz KKMGVCLOAKBZME-QGZVFWFLSA-N 0 1 345.399 2.848 20 5 EFBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CC[C@@H](CO)O1 ZINC000293800658 295052206 /nfs/dbraw/zinc/05/22/06/295052206.db2.gz DEZFVNWSDQGNSJ-MNOVXSKESA-N 0 1 335.187 2.531 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2Cc3ccccc3O[C@H](C)C2)c1[N+](=O)[O-] ZINC000294153990 295119695 /nfs/dbraw/zinc/11/96/95/295119695.db2.gz LOVVUMLBIOZWDO-LLVKDONJSA-N 0 1 344.371 2.865 20 5 EFBDMN CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)C(N)=O ZINC000294856612 295237178 /nfs/dbraw/zinc/23/71/78/295237178.db2.gz SRDCUHFTHYYZGC-GFCCVEGCSA-N 0 1 337.395 2.848 20 5 EFBDMN CC(C)(C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1)C(N)=O ZINC000294856612 295237179 /nfs/dbraw/zinc/23/71/79/295237179.db2.gz SRDCUHFTHYYZGC-GFCCVEGCSA-N 0 1 337.395 2.848 20 5 EFBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(C3CC3)n2)c(Br)c1 ZINC000294942197 295248773 /nfs/dbraw/zinc/24/87/73/295248773.db2.gz LJSRBSFLIBGHDP-UHFFFAOYSA-N 0 1 338.165 2.965 20 5 EFBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(C3CC3)n2)cc1OC(F)F ZINC000294953574 295250295 /nfs/dbraw/zinc/25/02/95/295250295.db2.gz MGPVTNZSFZDFRD-UHFFFAOYSA-N 0 1 325.275 2.804 20 5 EFBDMN COc1ccc(CNCc2cnc(OC)c(Cl)c2)cc1[N+](=O)[O-] ZINC000295017737 295257977 /nfs/dbraw/zinc/25/79/77/295257977.db2.gz MVKDVTFMXYETSH-UHFFFAOYSA-N 0 1 337.763 2.950 20 5 EFBDMN Cc1cc(Cl)c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000295116994 295270073 /nfs/dbraw/zinc/27/00/73/295270073.db2.gz ZAAAGHNHNCCPBB-NSHDSACASA-N 0 1 325.796 2.723 20 5 EFBDMN Cc1cc(Cl)c(C(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000295116994 295270075 /nfs/dbraw/zinc/27/00/75/295270075.db2.gz ZAAAGHNHNCCPBB-NSHDSACASA-N 0 1 325.796 2.723 20 5 EFBDMN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](C)N(C)C[C@@H]1C ZINC000450415498 295277193 /nfs/dbraw/zinc/27/71/93/295277193.db2.gz BLDTVTFNHQGJHO-NEPJUHHUSA-N 0 1 330.388 2.680 20 5 EFBDMN CSc1ccc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295437501 295320619 /nfs/dbraw/zinc/32/06/19/295320619.db2.gz VJHNZSAIZZANDA-LBPRGKRZSA-N 0 1 349.456 2.873 20 5 EFBDMN CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000295481478 295328013 /nfs/dbraw/zinc/32/80/13/295328013.db2.gz ZTZPQWXFPRDERS-LLVKDONJSA-N 0 1 345.321 2.780 20 5 EFBDMN COCc1nc([C@H]2CCCCN2Cc2csc([N+](=O)[O-])c2)n[nH]1 ZINC000295599172 295347071 /nfs/dbraw/zinc/34/70/71/295347071.db2.gz CSSYFKOSBQTNNV-LLVKDONJSA-N 0 1 337.405 2.648 20 5 EFBDMN C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295759902 295371688 /nfs/dbraw/zinc/37/16/88/295371688.db2.gz VQVUWFOAYMBKJX-LLVKDONJSA-N 0 1 337.807 2.805 20 5 EFBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000295768882 295373150 /nfs/dbraw/zinc/37/31/50/295373150.db2.gz WRWNOFQWPKWBBZ-CYBMUJFWSA-N 0 1 347.415 2.550 20 5 EFBDMN CC1(C)[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCO[C@H]21 ZINC000296334263 295460121 /nfs/dbraw/zinc/46/01/21/295460121.db2.gz QWRQWKPNJOSUMC-BPLDGKMQSA-N 0 1 344.371 2.548 20 5 EFBDMN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)N1CCCC1 ZINC000008515448 295555810 /nfs/dbraw/zinc/55/58/10/295555810.db2.gz GIFLSSVFFDREBZ-INIZCTEOSA-N 0 1 343.383 2.684 20 5 EFBDMN CC(F)(F)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000297257001 310872182 /nfs/dbraw/zinc/87/21/82/310872182.db2.gz YNRYLTKFNYBMPJ-UHFFFAOYSA-N 0 1 346.714 2.711 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000298312310 310977523 /nfs/dbraw/zinc/97/75/23/310977523.db2.gz JJIPUGCNCPSFRV-NSHDSACASA-N 0 1 325.796 2.805 20 5 EFBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000299172570 311058495 /nfs/dbraw/zinc/05/84/95/311058495.db2.gz YHGNQPHEUKGIFL-CYBMUJFWSA-N 0 1 331.372 2.805 20 5 EFBDMN Cc1ccc([C@H](C)NCC(=O)N(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000299172575 311058562 /nfs/dbraw/zinc/05/85/62/311058562.db2.gz YHGNQPHEUKGIFL-ZDUSSCGKSA-N 0 1 331.372 2.805 20 5 EFBDMN COCCN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000301445249 311137864 /nfs/dbraw/zinc/13/78/64/311137864.db2.gz PJERFDLJWXXPSL-NSHDSACASA-N 0 1 347.337 2.771 20 5 EFBDMN C[C@@H]1CN(CCCNc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000301775609 311157724 /nfs/dbraw/zinc/15/77/24/311157724.db2.gz HHCTYXLRXJPROW-GHMZBOCLSA-N 0 1 329.347 2.784 20 5 EFBDMN C[C@H](O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302434745 311190006 /nfs/dbraw/zinc/19/00/06/311190006.db2.gz LYYDDLZOLCUSGQ-QWRGUYRKSA-N 0 1 347.337 2.505 20 5 EFBDMN Cc1cc(N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000302545060 311192815 /nfs/dbraw/zinc/19/28/15/311192815.db2.gz UMRYXCFFXJPUFJ-BFYDXBDKSA-N 0 1 333.432 2.981 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000302545099 311192854 /nfs/dbraw/zinc/19/28/54/311192854.db2.gz UPAODMUCJGBFBS-OWCLPIDISA-N 0 1 333.432 2.981 20 5 EFBDMN Cc1ccc(-n2cc(Nc3ncc([N+](=O)[O-])c(N)n3)cn2)c(C)c1 ZINC000302712489 311197525 /nfs/dbraw/zinc/19/75/25/311197525.db2.gz LQLKQPVQSNPZIF-UHFFFAOYSA-N 0 1 325.332 2.513 20 5 EFBDMN O=[N+]([O-])c1cccc(CNc2nc(C(F)(F)F)nc3[nH]cnc32)c1 ZINC000302871877 311205631 /nfs/dbraw/zinc/20/56/31/311205631.db2.gz CDCAZBUEUIWZNQ-UHFFFAOYSA-N 0 1 338.249 2.892 20 5 EFBDMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000310861643 311229816 /nfs/dbraw/zinc/22/98/16/311229816.db2.gz CSXSHPOCHWSJGY-CYBMUJFWSA-N 0 1 343.383 2.551 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000313372871 311232298 /nfs/dbraw/zinc/23/22/98/311232298.db2.gz IUBSXXQNEYBUKM-KRWDZBQOSA-N 0 1 325.368 2.690 20 5 EFBDMN CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319429713 311236937 /nfs/dbraw/zinc/23/69/37/311236937.db2.gz GRFIQYAHDQFAJL-JQWIXIFHSA-N 0 1 330.381 2.981 20 5 EFBDMN COC(=O)[C@]1(C)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000330375471 311315905 /nfs/dbraw/zinc/31/59/05/311315905.db2.gz GQOPUIIJAHAWCE-MEBBXXQBSA-N 0 1 326.780 2.879 20 5 EFBDMN CCN1C[C@H](C)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000330573774 311322436 /nfs/dbraw/zinc/32/24/36/311322436.db2.gz NOFJQHDMXFCJRT-OLZOCXBDSA-N 0 1 345.403 2.559 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC(C)(C)[C@@H]1C ZINC000331045491 311350738 /nfs/dbraw/zinc/35/07/38/311350738.db2.gz HMDIDQZLNFOKRR-ZDUSSCGKSA-N 0 1 335.404 2.731 20 5 EFBDMN Cc1c(NC(=O)CCN2CCOC(C)(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331066773 311351961 /nfs/dbraw/zinc/35/19/61/311351961.db2.gz YKQIHSABECFZNR-ZDUSSCGKSA-N 0 1 335.404 2.731 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000331117186 311355412 /nfs/dbraw/zinc/35/54/12/311355412.db2.gz DZJNYIVQBKELFV-CQSZACIVSA-N 0 1 325.796 2.660 20 5 EFBDMN Cc1c(NC(=O)CCN2CC(C)(C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331132050 311356318 /nfs/dbraw/zinc/35/63/18/311356318.db2.gz JMUARWZFAOQEJL-LBPRGKRZSA-N 0 1 335.404 2.731 20 5 EFBDMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000331270450 311364135 /nfs/dbraw/zinc/36/41/35/311364135.db2.gz ANNZPXKRPXYMJC-LALPHHSUSA-N 0 1 346.387 2.626 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000331414442 311375202 /nfs/dbraw/zinc/37/52/02/311375202.db2.gz BWPKPJLYGVFMJY-GFCCVEGCSA-N 0 1 346.391 2.542 20 5 EFBDMN CSC[C@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331594013 311394679 /nfs/dbraw/zinc/39/46/79/311394679.db2.gz BYZSEDJYWRDTBE-BBRMVZONSA-N 0 1 349.456 2.775 20 5 EFBDMN CSC[C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331594023 311394850 /nfs/dbraw/zinc/39/48/50/311394850.db2.gz BYZSEDJYWRDTBE-XJKSGUPXSA-N 0 1 349.456 2.775 20 5 EFBDMN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331883917 311430581 /nfs/dbraw/zinc/43/05/81/311430581.db2.gz WQEIRQQJLVEENM-HNNXBMFYSA-N 0 1 344.371 2.628 20 5 EFBDMN CNc1c(C(=O)NC[C@@H](c2ccsc2)N(C)C)cccc1[N+](=O)[O-] ZINC000361137668 311925122 /nfs/dbraw/zinc/92/51/22/311925122.db2.gz ABLAQYMLLBHFQW-AWEZNQCLSA-N 0 1 348.428 2.731 20 5 EFBDMN CCOC(=O)c1c[nH]c(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n1 ZINC000415645272 312161604 /nfs/dbraw/zinc/16/16/04/312161604.db2.gz HTZQSNAKVNFDHW-UHFFFAOYSA-N 0 1 346.343 2.672 20 5 EFBDMN CCC[C@H]1CNCCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417848308 312280971 /nfs/dbraw/zinc/28/09/71/312280971.db2.gz KMUQBOSWZNKRCH-ZFWWWQNUSA-N 0 1 334.420 2.748 20 5 EFBDMN CC(C)(C)c1nc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000458044250 313061227 /nfs/dbraw/zinc/06/12/27/313061227.db2.gz VJSPUFIEGRYURO-UHFFFAOYSA-N 0 1 337.767 2.594 20 5 EFBDMN CCOC[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000458066074 313066682 /nfs/dbraw/zinc/06/66/82/313066682.db2.gz HSOIOUWKKDVBPI-GFCCVEGCSA-N 0 1 332.360 2.502 20 5 EFBDMN CCOC(=O)c1cc(Nc2nc3ccccc3cc2[N+](=O)[O-])cn1C ZINC000473505269 313198575 /nfs/dbraw/zinc/19/85/75/313198575.db2.gz BEULDKRZYUZTSH-UHFFFAOYSA-N 0 1 340.339 2.824 20 5 EFBDMN C[C@@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)[N@H+]1CCC[C@H](C)C1 ZINC000486937392 313349970 /nfs/dbraw/zinc/34/99/70/313349970.db2.gz MFVNXNDBWMLPMG-STQMWFEESA-N 0 1 345.403 2.599 20 5 EFBDMN CN(Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000496954946 315256466 /nfs/dbraw/zinc/25/64/66/315256466.db2.gz KGTKASGQYBDJKB-ZIAGYGMSSA-N 0 1 349.387 2.657 20 5 EFBDMN Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000497151541 315329375 /nfs/dbraw/zinc/32/93/75/315329375.db2.gz LVCQKHKBCVCTDU-VXGBXAGGSA-N 0 1 336.344 2.913 20 5 EFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000515531765 315625431 /nfs/dbraw/zinc/62/54/31/315625431.db2.gz VEMFCOPUWOPRMC-WBMJQRKESA-N 0 1 331.416 2.892 20 5 EFBDMN O=C(c1cc(-c2ccoc2)[nH]n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000532285361 317380317 /nfs/dbraw/zinc/38/03/17/317380317.db2.gz FBIFKQAFEXMNHJ-UHFFFAOYSA-N 0 1 338.323 2.776 20 5 EFBDMN Cc1cccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C ZINC000535072317 317578333 /nfs/dbraw/zinc/57/83/33/317578333.db2.gz IKBHMGNXMFUROX-UHFFFAOYSA-N 0 1 326.400 2.929 20 5 EFBDMN CC1(C)c2ccccc2CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000552678674 318260999 /nfs/dbraw/zinc/26/09/99/318260999.db2.gz XYMQBLOMVGPTGX-UHFFFAOYSA-N 0 1 339.395 2.987 20 5 EFBDMN CCCCc1nc2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2[nH]1 ZINC000554867237 318338731 /nfs/dbraw/zinc/33/87/31/318338731.db2.gz PCSFNHPMKPNRPD-UHFFFAOYSA-N 0 1 328.332 2.789 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000555364852 318354697 /nfs/dbraw/zinc/35/46/97/318354697.db2.gz ZUENQLBUCYXGMG-GFCCVEGCSA-N 0 1 334.294 2.844 20 5 EFBDMN COc1cccc(OC)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000560493782 318558992 /nfs/dbraw/zinc/55/89/92/318558992.db2.gz HHZSSLLXZCUXJI-UHFFFAOYSA-N 0 1 332.356 2.781 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(CNC[C@@H](O)CCc3ccccc3)nc2c1 ZINC000563003272 318726329 /nfs/dbraw/zinc/72/63/29/318726329.db2.gz QFZFSLDFAKXICE-HNNXBMFYSA-N 0 1 340.383 2.554 20 5 EFBDMN CCOc1cc(C[N@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000566367113 319067890 /nfs/dbraw/zinc/06/78/90/319067890.db2.gz IZHXNOYWPNTWGZ-KRWDZBQOSA-N 0 1 336.388 2.926 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](C)C1 ZINC000566467362 319080756 /nfs/dbraw/zinc/08/07/56/319080756.db2.gz VCWIAGUSTRRZCY-VXGBXAGGSA-N 0 1 330.388 2.631 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)c2conc2C(C)(C)N)cc1[N+](=O)[O-] ZINC000566473234 319081483 /nfs/dbraw/zinc/08/14/83/319081483.db2.gz HCLDWSNKNJMBBM-JTQLQIEISA-N 0 1 332.360 2.576 20 5 EFBDMN Cc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566681802 319101731 /nfs/dbraw/zinc/10/17/31/319101731.db2.gz WLPNBKACVYAVFY-GFCCVEGCSA-N 0 1 347.415 2.912 20 5 EFBDMN Cc1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566681804 319101843 /nfs/dbraw/zinc/10/18/43/319101843.db2.gz WLPNBKACVYAVFY-LBPRGKRZSA-N 0 1 347.415 2.912 20 5 EFBDMN CCc1cccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000567987535 319234086 /nfs/dbraw/zinc/23/40/86/319234086.db2.gz FKDAKPCBUYSQOK-UHFFFAOYSA-N 0 1 348.424 2.721 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000568564507 319295301 /nfs/dbraw/zinc/29/53/01/319295301.db2.gz ZODALYHNJXHVCN-ZDUSSCGKSA-N 0 1 345.403 2.970 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000569110082 319349466 /nfs/dbraw/zinc/34/94/66/319349466.db2.gz FOAHVECRFOVLHO-QGZVFWFLSA-N 0 1 342.351 2.787 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(N2CN=NC2=O)CC1 ZINC000570270695 319460206 /nfs/dbraw/zinc/46/02/06/319460206.db2.gz GPWGHDYCQNXEPB-GFCCVEGCSA-N 0 1 331.376 2.598 20 5 EFBDMN CCCn1cc[nH+]c1CCCN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000572845300 319709781 /nfs/dbraw/zinc/70/97/81/319709781.db2.gz LWQHGCMTGMVRBZ-UHFFFAOYSA-N 0 1 346.387 2.969 20 5 EFBDMN CCOc1cccc(N2CCC[C@@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000575429758 319944999 /nfs/dbraw/zinc/94/49/99/319944999.db2.gz APRYFCURXSPGJI-OAHLLOKOSA-N 0 1 349.431 2.685 20 5 EFBDMN COC[C@@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000576525940 320023974 /nfs/dbraw/zinc/02/39/74/320023974.db2.gz MYTBVMHFGZAJSH-IUODEOHRSA-N 0 1 347.371 2.882 20 5 EFBDMN COC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000576525942 320024037 /nfs/dbraw/zinc/02/40/37/320024037.db2.gz MYTBVMHFGZAJSH-WFASDCNBSA-N 0 1 347.371 2.882 20 5 EFBDMN CC(C)(C)N1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000576702916 320040384 /nfs/dbraw/zinc/04/03/84/320040384.db2.gz CSQUMHJQJHPGIG-CVEARBPZSA-N 0 1 331.416 2.961 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000577340653 320099913 /nfs/dbraw/zinc/09/99/13/320099913.db2.gz LIKGQTOPTNDQOC-GHMZBOCLSA-N 0 1 331.376 2.817 20 5 EFBDMN CCC[N@@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000577756238 320141761 /nfs/dbraw/zinc/14/17/61/320141761.db2.gz WFRPTAKPWRLGHA-CYBMUJFWSA-N 0 1 335.404 2.770 20 5 EFBDMN O=C(Nc1ncccc1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000180997760 323224529 /nfs/dbraw/zinc/22/45/29/323224529.db2.gz BKSGQBOXKWLUHU-UHFFFAOYSA-N 0 1 338.117 2.710 20 5 EFBDMN CC[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCO1 ZINC000182287762 323274808 /nfs/dbraw/zinc/27/48/08/323274808.db2.gz QOVKZCGCWHGDHX-UONOGXRCSA-N 0 1 332.360 2.692 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000296884726 323667058 /nfs/dbraw/zinc/66/70/58/323667058.db2.gz JKQJVGCLUGVMRC-ZDUSSCGKSA-N 0 1 342.399 2.699 20 5 EFBDMN O=C(NCc1nc2ccccc2o1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000579777554 324026918 /nfs/dbraw/zinc/02/69/18/324026918.db2.gz RSFSBFARGWANJF-UHFFFAOYSA-N 0 1 337.295 2.542 20 5 EFBDMN CC(C)n1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000581290041 324343412 /nfs/dbraw/zinc/34/34/12/324343412.db2.gz NXODQDBFSVHABK-HUUCEWRRSA-N 0 1 332.408 2.842 20 5 EFBDMN Cc1cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c(N)c([N+](=O)[O-])c1 ZINC000068513799 472202987 /nfs/dbraw/zinc/20/29/87/472202987.db2.gz GZLRQJOSQQNVJT-AWEZNQCLSA-N 0 1 348.428 2.580 20 5 EFBDMN CCCN1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000042268277 472126271 /nfs/dbraw/zinc/12/62/71/472126271.db2.gz IXOUJWKOFULMNF-UHFFFAOYSA-N 0 1 328.210 2.889 20 5 EFBDMN O=C(NCCc1c(Cl)cccc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000138156893 473215648 /nfs/dbraw/zinc/21/56/48/473215648.db2.gz GVKDJRSTGXEGQW-UHFFFAOYSA-N 0 1 329.143 2.597 20 5 EFBDMN CCOC[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000081521113 473213130 /nfs/dbraw/zinc/21/31/30/473213130.db2.gz FDMVNLBYGMCUII-GFCCVEGCSA-N 0 1 332.360 2.503 20 5 EFBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OCCF)c2)cc1 ZINC000161207748 473217083 /nfs/dbraw/zinc/21/70/83/473217083.db2.gz KTXTWLGVIIMMGK-UHFFFAOYSA-N 0 1 340.332 2.744 20 5 EFBDMN C[C@@H]1OCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000139126361 473227103 /nfs/dbraw/zinc/22/71/03/473227103.db2.gz JJBSJDOJJMFJPA-STQMWFEESA-N 0 1 331.372 2.902 20 5 EFBDMN COc1cc(S(=O)(=O)Nc2cc(F)ccc2C)ccc1[N+](=O)[O-] ZINC000124373803 473238925 /nfs/dbraw/zinc/23/89/25/473238925.db2.gz MDFOBPUMAFFWFN-UHFFFAOYSA-N 0 1 340.332 2.852 20 5 EFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140489518 473246370 /nfs/dbraw/zinc/24/63/70/473246370.db2.gz FEZOIFFCOQQWCB-HBUWYVDXSA-N 0 1 347.415 2.549 20 5 EFBDMN CCc1ccc(C(=O)Nc2cc(CN(C)C)ccn2)cc1[N+](=O)[O-] ZINC000176902837 473262768 /nfs/dbraw/zinc/26/27/68/473262768.db2.gz MWYKFURRASEHKA-UHFFFAOYSA-N 0 1 328.372 2.866 20 5 EFBDMN COc1cc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)ccc1[N+](=O)[O-] ZINC000124558872 473263212 /nfs/dbraw/zinc/26/32/12/473263212.db2.gz RSEUYJOCWRRPSW-UHFFFAOYSA-N 0 1 347.352 2.886 20 5 EFBDMN Cc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000143058501 473271002 /nfs/dbraw/zinc/27/10/02/473271002.db2.gz IATLCFCNVHZJIC-MRXNPFEDSA-N 0 1 339.395 2.908 20 5 EFBDMN CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)N1CCOCC1 ZINC000471630123 467972697 /nfs/dbraw/zinc/97/26/97/467972697.db2.gz XBCXVNSRUCISNA-INIZCTEOSA-N 0 1 336.436 2.847 20 5 EFBDMN C[C@@H]1CSCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000190455658 473280828 /nfs/dbraw/zinc/28/08/28/473280828.db2.gz DHUKAICBOHDIPE-NSHDSACASA-N 0 1 334.401 2.830 20 5 EFBDMN CN(CCNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000177066033 473298913 /nfs/dbraw/zinc/29/89/13/473298913.db2.gz GZWQWLJJXFTEGR-UHFFFAOYSA-N 0 1 345.374 2.525 20 5 EFBDMN CC[C@@](C)(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000124760273 473299534 /nfs/dbraw/zinc/29/95/34/473299534.db2.gz UVYSEWKBHYZSLH-OAHLLOKOSA-N 0 1 345.384 2.983 20 5 EFBDMN CN(CCNC(=O)c1ccc([N+](=O)[O-])s1)Cc1ccc(F)cc1 ZINC000177077027 473301543 /nfs/dbraw/zinc/30/15/43/473301543.db2.gz JPTUSNANHPRRFQ-UHFFFAOYSA-N 0 1 337.376 2.657 20 5 EFBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177157879 473320090 /nfs/dbraw/zinc/32/00/90/473320090.db2.gz LKVKSELOUUDFHN-UPJWGTAASA-N 0 1 349.456 2.817 20 5 EFBDMN Cc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n[nH]c1C(F)(F)F ZINC000611555470 469278669 /nfs/dbraw/zinc/27/86/69/469278669.db2.gz ILKVNUMYAIJZHR-UHFFFAOYSA-N 0 1 330.222 2.603 20 5 EFBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177275128 473346106 /nfs/dbraw/zinc/34/61/06/473346106.db2.gz QGUNATDTSKFPDW-SCRDCRAPSA-N 0 1 335.429 2.603 20 5 EFBDMN CC(C)(C)OC(=O)N1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000113343756 473385685 /nfs/dbraw/zinc/38/56/85/473385685.db2.gz QPCJYVTWEKEQJK-LLVKDONJSA-N 0 1 327.406 2.755 20 5 EFBDMN CC(C)(C)OC(=O)N1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000113343755 473386015 /nfs/dbraw/zinc/38/60/15/473386015.db2.gz QPCJYVTWEKEQJK-NSHDSACASA-N 0 1 327.406 2.755 20 5 EFBDMN O=C1CC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000125286061 473386983 /nfs/dbraw/zinc/38/69/83/473386983.db2.gz GFJZDEQRIFAGAZ-GDBMZVCRSA-N 0 1 329.400 2.570 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000162840960 473388852 /nfs/dbraw/zinc/38/88/52/473388852.db2.gz ZRPOEEXDLVMZLB-UGSOOPFHSA-N 0 1 339.395 2.967 20 5 EFBDMN O=C(CCCc1ccccc1)NCCNCc1csc([N+](=O)[O-])c1 ZINC000424185775 477322357 /nfs/dbraw/zinc/32/23/57/477322357.db2.gz HIRHVPNONCUFCN-UHFFFAOYSA-N 0 1 347.440 2.885 20 5 EFBDMN Cc1c(CNCc2cccc(NS(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000616483577 479922089 /nfs/dbraw/zinc/92/20/89/479922089.db2.gz MSGPZROECNPLFE-UHFFFAOYSA-N 0 1 349.412 2.565 20 5 EFBDMN COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N(C)C)c1 ZINC000010018140 471725895 /nfs/dbraw/zinc/72/58/95/471725895.db2.gz JTOQGYQXPFEGDS-KRWDZBQOSA-N 0 1 343.383 2.636 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000010018693 471726154 /nfs/dbraw/zinc/72/61/54/471726154.db2.gz BQJYSVNCXUBQCU-MRXNPFEDSA-N 0 1 331.347 2.767 20 5 EFBDMN COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N(C)C)c1 ZINC000010018141 471726257 /nfs/dbraw/zinc/72/62/57/471726257.db2.gz JTOQGYQXPFEGDS-QGZVFWFLSA-N 0 1 343.383 2.636 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OC)c1 ZINC000067116657 471994532 /nfs/dbraw/zinc/99/45/32/471994532.db2.gz DYQJOHMIKDMWLD-UHFFFAOYSA-N 0 1 336.369 2.967 20 5 EFBDMN NC(=O)c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000036753873 472006414 /nfs/dbraw/zinc/00/64/14/472006414.db2.gz BQBBTHMXQRTQAJ-UHFFFAOYSA-N 0 1 325.368 2.858 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccncc1)C1CC1 ZINC000067660664 472067192 /nfs/dbraw/zinc/06/71/92/472067192.db2.gz YMBSWNPMWCYMGS-UHFFFAOYSA-N 0 1 337.339 2.671 20 5 EFBDMN COc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000025330140 472090327 /nfs/dbraw/zinc/09/03/27/472090327.db2.gz VBVCPMAQRITIQB-CQSZACIVSA-N 0 1 349.412 2.698 20 5 EFBDMN O=[N+]([O-])c1cccc(CN2CCN(CCc3ccccc3)CC2)c1 ZINC000054620124 472102642 /nfs/dbraw/zinc/10/26/42/472102642.db2.gz XGOQPOSRDYUGLO-UHFFFAOYSA-N 0 1 325.412 2.955 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000042004822 472105022 /nfs/dbraw/zinc/10/50/22/472105022.db2.gz RMNKIOBYRCNZLB-UHFFFAOYSA-N 0 1 332.341 2.580 20 5 EFBDMN CCCCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000026450565 472137762 /nfs/dbraw/zinc/13/77/62/472137762.db2.gz ZJNDBPPKOWUOHP-UHFFFAOYSA-N 0 1 335.360 2.527 20 5 EFBDMN COc1ccc(NC(=O)[C@@H](C)N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000026466394 472138495 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Cc1[nH]nc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000076654234 472381776 /nfs/dbraw/zinc/38/17/76/472381776.db2.gz PQJMNYXOXSYDSQ-SKDRFNHKSA-N 0 1 332.335 2.784 20 5 EFBDMN O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000097031824 472413296 /nfs/dbraw/zinc/41/32/96/472413296.db2.gz CPXDVRNFVLOQDY-PSASIEDQSA-N 0 1 340.261 2.623 20 5 EFBDMN O=[N+]([O-])c1ccn(CCN2CC[C@H](Oc3ccccc3Cl)C2)n1 ZINC000128568415 472469052 /nfs/dbraw/zinc/46/90/52/472469052.db2.gz NGBUSFZIAVEXDH-LBPRGKRZSA-N 0 1 336.779 2.598 20 5 EFBDMN Cc1c([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2=O)cccc1[N+](=O)[O-] ZINC000089618317 472469989 /nfs/dbraw/zinc/46/99/89/472469989.db2.gz QEFNQVHBVMPPDT-CMPLNLGQSA-N 0 1 345.321 2.717 20 5 EFBDMN CN(C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000033026591 472490377 /nfs/dbraw/zinc/49/03/77/472490377.db2.gz ZAIUSFGPPKADOM-AWEZNQCLSA-N 0 1 333.413 2.618 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)nc1C ZINC000128763690 472493965 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O=C(Nc1ccccn1)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000047260421 472678232 /nfs/dbraw/zinc/67/82/32/472678232.db2.gz XERRPUWCCHEMMC-OAHLLOKOSA-N 0 1 340.383 2.841 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CCC(N)=O)C1 ZINC000104685408 472685012 /nfs/dbraw/zinc/68/50/12/472685012.db2.gz CFFNUHOSOPAXJJ-CQSZACIVSA-N 0 1 349.431 2.860 20 5 EFBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCC1CCOCC1 ZINC000120561448 472711744 /nfs/dbraw/zinc/71/17/44/472711744.db2.gz BJFMKMKVNKJCMF-CYBMUJFWSA-N 0 1 335.404 2.670 20 5 EFBDMN CC(C)c1ccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000120625960 472721555 /nfs/dbraw/zinc/72/15/55/472721555.db2.gz YIMIELVLGCPNFH-HUUCEWRRSA-N 0 1 335.448 2.605 20 5 EFBDMN CC[C@H](CO)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000078522422 472728295 /nfs/dbraw/zinc/72/82/95/472728295.db2.gz GZSQKJZSICEHPC-GFCCVEGCSA-N 0 1 347.337 2.507 20 5 EFBDMN CC(=O)N1CC[C@H](CN(C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000156690491 472741072 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CC(C)OCCN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000073276794 472791587 /nfs/dbraw/zinc/79/15/87/472791587.db2.gz VDMFBZIIWQRHHW-UHFFFAOYSA-N 0 1 344.415 2.690 20 5 EFBDMN O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000121206604 472815797 /nfs/dbraw/zinc/81/57/97/472815797.db2.gz GLAMGPVFSFWUSO-IAOVAPTHSA-N 0 1 348.362 2.929 20 5 EFBDMN Cc1[nH]nc(C(=O)N(C)Cc2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC000064334690 472844799 /nfs/dbraw/zinc/84/47/99/472844799.db2.gz YZASDUBVAVKVEA-UHFFFAOYSA-N 0 1 326.715 2.691 20 5 EFBDMN CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000133857744 472848908 /nfs/dbraw/zinc/84/89/08/472848908.db2.gz BPWLYUCWUTUDQZ-UHFFFAOYSA-N 0 1 335.404 2.637 20 5 EFBDMN CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092073549 472853333 /nfs/dbraw/zinc/85/33/33/472853333.db2.gz VMPVTVUBNUEFON-CYBMUJFWSA-N 0 1 336.388 2.856 20 5 EFBDMN COC(=O)c1cccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)[nH]c21 ZINC000157799186 472859554 /nfs/dbraw/zinc/85/95/54/472859554.db2.gz RWJVKPJVDYVXCT-UHFFFAOYSA-N 0 1 340.295 2.510 20 5 EFBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000064735234 472871837 /nfs/dbraw/zinc/87/18/37/472871837.db2.gz XXHUJTCJAWBXLL-VNHYZAJKSA-N 0 1 347.415 2.778 20 5 EFBDMN CCCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000134109338 472875405 /nfs/dbraw/zinc/87/54/05/472875405.db2.gz GLJNXLAQUXBPAZ-CYBMUJFWSA-N 0 1 332.360 2.988 20 5 EFBDMN CCC(CC)N(CCOC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000064806171 472877719 /nfs/dbraw/zinc/87/77/19/472877719.db2.gz KZWDBVHSXIHBDI-UHFFFAOYSA-N 0 1 337.420 2.979 20 5 EFBDMN C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)C(C)(C)C ZINC000134392724 472902430 /nfs/dbraw/zinc/90/24/30/472902430.db2.gz FSEBQAFLPYCHIH-CYBMUJFWSA-N 0 1 343.811 2.526 20 5 EFBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)C(C)(C)C ZINC000134392724 472902435 /nfs/dbraw/zinc/90/24/35/472902435.db2.gz FSEBQAFLPYCHIH-CYBMUJFWSA-N 0 1 343.811 2.526 20 5 EFBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000065208741 472906728 /nfs/dbraw/zinc/90/67/28/472906728.db2.gz YIIFSWANMQRZOZ-MRXNPFEDSA-N 0 1 344.367 2.745 20 5 EFBDMN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092399992 472906858 /nfs/dbraw/zinc/90/68/58/472906858.db2.gz OSUIDMJJYPQBEJ-UONOGXRCSA-N 0 1 349.431 2.817 20 5 EFBDMN Cc1[nH]ncc1CCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000121870587 472933625 /nfs/dbraw/zinc/93/36/25/472933625.db2.gz VXEAHGMGYUGJCU-LBPRGKRZSA-N 0 1 348.428 2.856 20 5 EFBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCOC1 ZINC000107800427 472983143 /nfs/dbraw/zinc/98/31/43/472983143.db2.gz KMVCJNUZCFOACM-LBPRGKRZSA-N 0 1 332.360 2.503 20 5 EFBDMN CCOc1cccc2cc([C@@H](C)NC(=O)c3n[nH]cc3[N+](=O)[O-])oc21 ZINC000159179134 473005635 /nfs/dbraw/zinc/00/56/35/473005635.db2.gz GNHWSEPXGIOXMN-SECBINFHSA-N 0 1 344.327 2.954 20 5 EFBDMN CCOc1cccc2cc([C@H](C)NC(=O)c3n[nH]cc3[N+](=O)[O-])oc21 ZINC000159179261 473006151 /nfs/dbraw/zinc/00/61/51/473006151.db2.gz GNHWSEPXGIOXMN-VIFPVBQESA-N 0 1 344.327 2.954 20 5 EFBDMN CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074448223 473009225 /nfs/dbraw/zinc/00/92/25/473009225.db2.gz AHXSFNOUQHMKGO-HNNXBMFYSA-N 0 1 343.383 2.924 20 5 EFBDMN O=[N+]([O-])c1ccc(CCN2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000051154053 473028468 /nfs/dbraw/zinc/02/84/68/473028468.db2.gz TXAZLAMPORXCFL-UHFFFAOYSA-N 0 1 327.384 2.665 20 5 EFBDMN CC1CCN(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000135184664 473033367 /nfs/dbraw/zinc/03/33/67/473033367.db2.gz PCGZXXVUKZSZLT-UHFFFAOYSA-N 0 1 331.416 2.818 20 5 EFBDMN O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCCC1 ZINC000135231607 473040511 /nfs/dbraw/zinc/04/05/11/473040511.db2.gz BKAPAUYYQUFCLO-UHFFFAOYSA-N 0 1 331.416 2.962 20 5 EFBDMN Cc1cc(NC2CCN(Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000080598777 473052614 /nfs/dbraw/zinc/05/26/14/473052614.db2.gz AKIOICZZPVIPEM-UHFFFAOYSA-N 0 1 327.388 2.770 20 5 EFBDMN CC[C@H]1c2ccsc2CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159749355 473057573 /nfs/dbraw/zinc/05/75/73/473057573.db2.gz MSIYEGPXXFDPHN-AWEZNQCLSA-N 0 1 333.413 2.827 20 5 EFBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1N(C)C ZINC000109423979 473100231 /nfs/dbraw/zinc/10/02/31/473100231.db2.gz PIDZERKUKBHZOD-UHFFFAOYSA-N 0 1 335.385 2.770 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCCC[C@H](SC)C2)c1[N+](=O)[O-] ZINC000123208907 473110929 /nfs/dbraw/zinc/11/09/29/473110929.db2.gz HFDVZNRMOHQPQN-JTQLQIEISA-N 0 1 326.422 2.628 20 5 EFBDMN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000093613536 473125518 /nfs/dbraw/zinc/12/55/18/473125518.db2.gz QXYUWOKTFLBGNB-SJORKVTESA-N 0 1 334.416 2.655 20 5 EFBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000136099942 473133932 /nfs/dbraw/zinc/13/39/32/473133932.db2.gz MYJNVDVLGSIJQR-UHFFFAOYSA-N 0 1 346.293 2.722 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)c1[N+](=O)[O-] ZINC000081065135 473139917 /nfs/dbraw/zinc/13/99/17/473139917.db2.gz IJRJPRZUXYQBMU-TVQRCGJNSA-N 0 1 332.335 2.989 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)c1[N+](=O)[O-] ZINC000081065139 473140349 /nfs/dbraw/zinc/14/03/49/473140349.db2.gz IJRJPRZUXYQBMU-RNCFNFMXSA-N 0 1 332.335 2.989 20 5 EFBDMN CN1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000052719467 473141992 /nfs/dbraw/zinc/14/19/92/473141992.db2.gz HDZNLPPKIMOJDF-ZDUSSCGKSA-N 0 1 343.412 2.797 20 5 EFBDMN CN(CCCc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000052802733 473148571 /nfs/dbraw/zinc/14/85/71/473148571.db2.gz FDMSYLMYTJJSAC-UHFFFAOYSA-N 0 1 327.384 2.758 20 5 EFBDMN Cc1noc([C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000052863650 473156022 /nfs/dbraw/zinc/15/60/22/473156022.db2.gz VRANCZJYTUVOSY-ZDUSSCGKSA-N 0 1 332.360 2.545 20 5 EFBDMN CO[C@]1(C)C[C@@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000075294447 473161769 /nfs/dbraw/zinc/16/17/69/473161769.db2.gz WLKNSUFFRZRANK-CXAGYDPISA-N 0 1 346.387 2.747 20 5 EFBDMN O=C(Cc1ccccc1[N+](=O)[O-])NCCc1nc2ccc(F)cc2[nH]1 ZINC000075297402 473163283 /nfs/dbraw/zinc/16/32/83/473163283.db2.gz WWRMILJPJKFIMU-UHFFFAOYSA-N 0 1 342.330 2.512 20 5 EFBDMN Cc1ncc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000053145786 473188768 /nfs/dbraw/zinc/18/87/68/473188768.db2.gz CHTDQFRHGJAWJB-UHFFFAOYSA-N 0 1 334.401 2.820 20 5 EFBDMN CC(C)[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N1CCOCC1 ZINC000075469901 473189572 /nfs/dbraw/zinc/18/95/72/473189572.db2.gz MNULSXIWIRTAOZ-QGZVFWFLSA-N 0 1 344.415 2.912 20 5 EFBDMN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000125400570 473404844 /nfs/dbraw/zinc/40/48/44/473404844.db2.gz BIAKPGOBMGMVLD-AWEZNQCLSA-N 0 1 349.431 2.732 20 5 EFBDMN CCCCNC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000125400570 473404850 /nfs/dbraw/zinc/40/48/50/473404850.db2.gz BIAKPGOBMGMVLD-AWEZNQCLSA-N 0 1 349.431 2.732 20 5 EFBDMN CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000151266629 473435169 /nfs/dbraw/zinc/43/51/69/473435169.db2.gz RRFPGJDSUWMYEQ-QGZVFWFLSA-N 0 1 348.447 2.586 20 5 EFBDMN CC(C)[C@H]1CN(C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000151266629 473435175 /nfs/dbraw/zinc/43/51/75/473435175.db2.gz RRFPGJDSUWMYEQ-QGZVFWFLSA-N 0 1 348.447 2.586 20 5 EFBDMN CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185538290 473452883 /nfs/dbraw/zinc/45/28/83/473452883.db2.gz MCAGUAIBTYYFQR-UHFFFAOYSA-N 0 1 335.404 2.637 20 5 EFBDMN CCC(=O)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000126143995 473492166 /nfs/dbraw/zinc/49/21/66/473492166.db2.gz BNDSXILBEVYQTD-UHFFFAOYSA-N 0 1 334.353 2.988 20 5 EFBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](CC)c2ccncc2)c1[N+](=O)[O-] ZINC000185712859 473495272 /nfs/dbraw/zinc/49/52/72/473495272.db2.gz UIMKHWWOQYYKNR-CYBMUJFWSA-N 0 1 331.376 2.889 20 5 EFBDMN COC(=O)c1cc(CN(C)CCc2ccc([N+](=O)[O-])cc2)oc1C ZINC000172053004 473511330 /nfs/dbraw/zinc/51/13/30/473511330.db2.gz FSWQFMJPYRRNEO-UHFFFAOYSA-N 0 1 332.356 2.957 20 5 EFBDMN COc1cc(CNc2cccnc2-n2cccn2)cc([N+](=O)[O-])c1O ZINC000185881710 473538034 /nfs/dbraw/zinc/53/80/34/473538034.db2.gz QNBPRWGQSJZFLL-UHFFFAOYSA-N 0 1 341.327 2.502 20 5 EFBDMN COc1ccccc1[C@@H](CC(C)C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000126854384 473552785 /nfs/dbraw/zinc/55/27/85/473552785.db2.gz UGMKJQXGZGHNDS-GFCCVEGCSA-N 0 1 332.360 2.844 20 5 EFBDMN Cc1cc(C)c(S(=O)(=O)Nc2cccc3n[nH]cc32)cc1[N+](=O)[O-] ZINC000191791055 473577667 /nfs/dbraw/zinc/57/76/67/473577667.db2.gz UAEPIVMPVCTZSM-UHFFFAOYSA-N 0 1 346.368 2.889 20 5 EFBDMN COc1cc(CN2CCSCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000191815401 473579601 /nfs/dbraw/zinc/57/96/01/473579601.db2.gz DNIHACMUPRNQJT-LLVKDONJSA-N 0 1 326.418 2.939 20 5 EFBDMN CC[C@@H]1COCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000115576486 473584633 /nfs/dbraw/zinc/58/46/33/473584633.db2.gz ZXJWIKZBLMNFBU-CQSZACIVSA-N 0 1 331.372 2.903 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(CC2CC2)CC1 ZINC000127595950 473631234 /nfs/dbraw/zinc/63/12/34/473631234.db2.gz MKTDUKLUQQUBOD-UHFFFAOYSA-N 0 1 332.404 2.771 20 5 EFBDMN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-c2nnc[nH]2)cc1 ZINC000186265813 473632337 /nfs/dbraw/zinc/63/23/37/473632337.db2.gz RPKCQUBBRTWEEZ-UHFFFAOYSA-N 0 1 349.310 2.509 20 5 EFBDMN CC(C)[C@H]1CN(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000153757782 473640416 /nfs/dbraw/zinc/64/04/16/473640416.db2.gz SMUATGHXEDXYLG-OAHLLOKOSA-N 0 1 339.823 2.589 20 5 EFBDMN Cc1csc(C(C)(C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000116235701 473641389 /nfs/dbraw/zinc/64/13/89/473641389.db2.gz SMMKCACESDNJAO-UHFFFAOYSA-N 0 1 345.384 2.901 20 5 EFBDMN Cc1cnc([C@H](C)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000186380963 473664652 /nfs/dbraw/zinc/66/46/52/473664652.db2.gz RGFLDSZZDPASOF-MRVPVSSYSA-N 0 1 345.384 2.770 20 5 EFBDMN COc1ccc(CN2CCSC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000186491179 473681588 /nfs/dbraw/zinc/68/15/88/473681588.db2.gz SDGAIJKHQZSEGS-UHFFFAOYSA-N 0 1 338.429 2.701 20 5 EFBDMN CCO[C@H]1C[C@](CO)(NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000186576897 473692757 /nfs/dbraw/zinc/69/27/57/473692757.db2.gz SRENLHHKDNCXPC-GOEBONIOSA-N 0 1 342.823 2.904 20 5 EFBDMN O=C(CN1CCC[C@H]2CCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000245446668 473703034 /nfs/dbraw/zinc/70/30/34/473703034.db2.gz LIINTOPFQOKGBE-CZUORRHYSA-N 0 1 329.400 2.748 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000269156843 473713722 /nfs/dbraw/zinc/71/37/22/473713722.db2.gz QVVAVDWIYRRWPN-QWHCGFSZSA-N 0 1 348.403 2.770 20 5 EFBDMN CC(C)c1nc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cs1 ZINC000269204294 473730818 /nfs/dbraw/zinc/73/08/18/473730818.db2.gz SLFDJNJSLOJJQD-UHFFFAOYSA-N 0 1 335.385 2.853 20 5 EFBDMN CC(=O)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000179811727 473731659 /nfs/dbraw/zinc/73/16/59/473731659.db2.gz QILIVGMBTVKFFV-UHFFFAOYSA-N 0 1 343.383 2.909 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c1 ZINC000263567170 473779326 /nfs/dbraw/zinc/77/93/26/473779326.db2.gz XFENWOIBQGXWAI-UHFFFAOYSA-N 0 1 333.388 2.643 20 5 EFBDMN CCN(CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000173286591 473794813 /nfs/dbraw/zinc/79/48/13/473794813.db2.gz SEMBSHVTNJCYKU-INIZCTEOSA-N 0 1 345.399 2.930 20 5 EFBDMN O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000287950607 473807329 /nfs/dbraw/zinc/80/73/29/473807329.db2.gz YCDXZYDJYMYDSV-SFHVURJKSA-N 0 1 343.383 2.660 20 5 EFBDMN COc1cccc(F)c1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000187051440 473808669 /nfs/dbraw/zinc/80/86/69/473808669.db2.gz BBPDBRSOOXELLT-UHFFFAOYSA-N 0 1 340.332 2.852 20 5 EFBDMN C[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000173368289 473817506 /nfs/dbraw/zinc/81/75/06/473817506.db2.gz UUZMNLKGZGKJMA-CYBMUJFWSA-N 0 1 348.424 2.990 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000269495632 473824271 /nfs/dbraw/zinc/82/42/71/473824271.db2.gz MEDSYRBDCBPDBC-GHMZBOCLSA-N 0 1 338.433 2.942 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000269538038 473826903 /nfs/dbraw/zinc/82/69/03/473826903.db2.gz UQBABQLAKKOOAG-VXGBXAGGSA-N 0 1 348.403 2.805 20 5 EFBDMN C[C@H](NCC(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173407199 473828543 /nfs/dbraw/zinc/82/85/43/473828543.db2.gz MWJPZWVOSFNGBJ-AWEZNQCLSA-N 0 1 327.384 2.604 20 5 EFBDMN COc1ccccc1CNC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180434698 473876324 /nfs/dbraw/zinc/87/63/24/473876324.db2.gz BELQBKGCBXKKKR-ZDUSSCGKSA-N 0 1 343.383 2.570 20 5 EFBDMN CN1CC[N@@H+](C)C[C@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000274644275 473907002 /nfs/dbraw/zinc/90/70/02/473907002.db2.gz DZYJFQRKGVBPQE-SNVBAGLBSA-N 0 1 333.219 2.559 20 5 EFBDMN CN1CCN(C)[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000274644275 473907008 /nfs/dbraw/zinc/90/70/08/473907008.db2.gz DZYJFQRKGVBPQE-SNVBAGLBSA-N 0 1 333.219 2.559 20 5 EFBDMN Cc1[nH]nc(C(=O)N(C)Cc2cccc(OC(C)C)c2)c1[N+](=O)[O-] ZINC000270034316 473961489 /nfs/dbraw/zinc/96/14/89/473961489.db2.gz BKCIEGQQLVRXLE-UHFFFAOYSA-N 0 1 332.360 2.686 20 5 EFBDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000174094634 473985802 /nfs/dbraw/zinc/98/58/02/473985802.db2.gz AOMZUFZXQAALPF-UHFFFAOYSA-N 0 1 340.339 2.767 20 5 EFBDMN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246885271 473992602 /nfs/dbraw/zinc/99/26/02/473992602.db2.gz IIWSUUNSSNDXOD-NHYWBVRUSA-N 0 1 337.807 2.805 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000188125689 473992790 /nfs/dbraw/zinc/99/27/90/473992790.db2.gz FKOLMQIKAASITC-SNVBAGLBSA-N 0 1 332.360 2.722 20 5 EFBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000282341823 474029770 /nfs/dbraw/zinc/02/97/70/474029770.db2.gz BYPSWFZBIAFAEL-UHFFFAOYSA-N 0 1 344.396 2.980 20 5 EFBDMN C[C@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181505970 474041944 /nfs/dbraw/zinc/04/19/44/474041944.db2.gz SSKNVHNTCDGRBZ-RYUDHWBXSA-N 0 1 329.356 2.978 20 5 EFBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(O)c1 ZINC000181506610 474042435 /nfs/dbraw/zinc/04/24/35/474042435.db2.gz YHASYKJCZGYXPO-LBPRGKRZSA-N 0 1 341.367 2.540 20 5 EFBDMN CC[C@@H](NCc1cc(=O)n2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000181539695 474046316 /nfs/dbraw/zinc/04/63/16/474046316.db2.gz DGOKVVKVOXBLHF-MRXNPFEDSA-N 0 1 338.367 2.844 20 5 EFBDMN C[C@@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181545357 474046634 /nfs/dbraw/zinc/04/66/34/474046634.db2.gz SGROEXFFDWIEPA-NWDGAFQWSA-N 0 1 329.356 2.978 20 5 EFBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000181546482 474046967 /nfs/dbraw/zinc/04/69/67/474046967.db2.gz LRFVXCYPLHPKQC-GFCCVEGCSA-N 0 1 329.356 2.614 20 5 EFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H]1CCOC1 ZINC000247127948 474071409 /nfs/dbraw/zinc/07/14/09/474071409.db2.gz SCIWUVIDUYCZRH-GHMZBOCLSA-N 0 1 341.795 2.544 20 5 EFBDMN C[C@@H](C(=O)NCc1cccs1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282519724 474096944 /nfs/dbraw/zinc/09/69/44/474096944.db2.gz TUUZKDWUWYNRGH-ZDUSSCGKSA-N 0 1 347.440 2.836 20 5 EFBDMN CCCCN(CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000182129785 474105011 /nfs/dbraw/zinc/10/50/11/474105011.db2.gz LHUTYSORHMDOJM-UHFFFAOYSA-N 0 1 343.811 2.671 20 5 EFBDMN Cc1nc2c(s1)[C@H](N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-])CCC2 ZINC000264742709 474111863 /nfs/dbraw/zinc/11/18/63/474111863.db2.gz KUSRWVRZUPTOSD-SNVBAGLBSA-N 0 1 335.389 2.541 20 5 EFBDMN CC(C)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000270471136 474131531 /nfs/dbraw/zinc/13/15/31/474131531.db2.gz NIFQOCLZHSOKQT-UHFFFAOYSA-N 0 1 332.448 2.590 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000270502842 474144907 /nfs/dbraw/zinc/14/49/07/474144907.db2.gz IEIKWWLIXHEAMM-SUMWQHHRSA-N 0 1 344.415 2.835 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 ZINC000270605853 474187339 /nfs/dbraw/zinc/18/73/39/474187339.db2.gz DOOLMISKCRZQOV-QMMMGPOBSA-N 0 1 345.384 2.981 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175381857 474203660 /nfs/dbraw/zinc/20/36/60/474203660.db2.gz SKGHGKJTOLILNB-ZDUSSCGKSA-N 0 1 328.372 2.585 20 5 EFBDMN CC1(C)CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1 ZINC000175397686 474206391 /nfs/dbraw/zinc/20/63/91/474206391.db2.gz NELYBBLQOKZGJK-UHFFFAOYSA-N 0 1 346.412 2.542 20 5 EFBDMN COCc1ccccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000247842335 474215743 /nfs/dbraw/zinc/21/57/43/474215743.db2.gz LKYHDUDDUHIUKO-UHFFFAOYSA-N 0 1 340.339 2.548 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOCC12CCCC2 ZINC000270676750 474216314 /nfs/dbraw/zinc/21/63/14/474216314.db2.gz TUAOGJJUMPJEBH-UHFFFAOYSA-N 0 1 347.415 2.877 20 5 EFBDMN CCN(C)C(=O)[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188897010 474228228 /nfs/dbraw/zinc/22/82/28/474228228.db2.gz KQVPCHLDDCRYML-LBPRGKRZSA-N 0 1 331.372 2.811 20 5 EFBDMN COc1ccsc1S(=O)(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000225708057 474237103 /nfs/dbraw/zinc/23/71/03/474237103.db2.gz MWFWYYBITZMUTK-UHFFFAOYSA-N 0 1 346.361 2.913 20 5 EFBDMN O=[N+]([O-])c1cc(Br)cc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000228560537 474249646 /nfs/dbraw/zinc/24/96/46/474249646.db2.gz GUJQFLFBJXMLNY-SNVBAGLBSA-N 0 1 339.149 2.832 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)c(Cl)c1 ZINC000265543682 474249797 /nfs/dbraw/zinc/24/97/97/474249797.db2.gz WTIPPROUDNUJBP-UHFFFAOYSA-N 0 1 339.823 2.797 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000270754586 474250786 /nfs/dbraw/zinc/25/07/86/474250786.db2.gz NKWYONHLJALSME-LAHYYIKRSA-N 0 1 329.360 2.727 20 5 EFBDMN CCn1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000265575163 474258068 /nfs/dbraw/zinc/25/80/68/474258068.db2.gz XICKGUBQOLUSMR-UHFFFAOYSA-N 0 1 340.387 2.502 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN[C@H](CO)C3CCCC3)co2)cc1 ZINC000289419970 474262435 /nfs/dbraw/zinc/26/24/35/474262435.db2.gz CCDSVMYSURERPN-MRXNPFEDSA-N 0 1 331.372 2.891 20 5 EFBDMN C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)CN1CCOCC1 ZINC000265597721 474263887 /nfs/dbraw/zinc/26/38/87/474263887.db2.gz RBIVFMMSXIQRMJ-ZDUSSCGKSA-N 0 1 330.388 2.523 20 5 EFBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182830919 474266236 /nfs/dbraw/zinc/26/62/36/474266236.db2.gz UYNDXQBLLGBHNJ-TZMCWYRMSA-N 0 1 347.415 2.683 20 5 EFBDMN Cc1c(CC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000270797996 474270320 /nfs/dbraw/zinc/27/03/20/474270320.db2.gz WDHLISDIDGSGHZ-LLVKDONJSA-N 0 1 331.376 2.565 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000270797984 474271188 /nfs/dbraw/zinc/27/11/88/474271188.db2.gz WDHHBKCBGWDSKY-LLVKDONJSA-N 0 1 346.391 2.516 20 5 EFBDMN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000270827206 474283149 /nfs/dbraw/zinc/28/31/49/474283149.db2.gz IZFCFXMOTVWHPY-LLVKDONJSA-N 0 1 346.391 2.759 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3OC)C2)c1[N+](=O)[O-] ZINC000265822727 474350669 /nfs/dbraw/zinc/35/06/69/474350669.db2.gz SDXVZTSTNSGATK-LLVKDONJSA-N 0 1 344.371 2.519 20 5 EFBDMN COCCO[C@@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000275889813 474352962 /nfs/dbraw/zinc/35/29/62/474352962.db2.gz XSLHFJZRQCSPAK-CQSZACIVSA-N 0 1 331.372 2.693 20 5 EFBDMN CC(C)C(=O)NC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271025919 474373735 /nfs/dbraw/zinc/37/37/35/474373735.db2.gz AFBDOWNAHOCGJW-FNORWQNLSA-N 0 1 331.416 2.845 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000289676278 474374017 /nfs/dbraw/zinc/37/40/17/474374017.db2.gz FRTWXQAJYOAHIR-LBPRGKRZSA-N 0 1 332.404 2.929 20 5 EFBDMN CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)O ZINC000266009516 474414578 /nfs/dbraw/zinc/41/45/78/474414578.db2.gz LSDUFZQKYIHAAI-UHFFFAOYSA-N 0 1 334.376 2.628 20 5 EFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC2(CCOCC2)C1 ZINC000265987117 474414962 /nfs/dbraw/zinc/41/49/62/474414962.db2.gz DPUBXRRGFOSBIM-CQSZACIVSA-N 0 1 347.415 2.814 20 5 EFBDMN C[C@@H]1SCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000176249024 474420899 /nfs/dbraw/zinc/42/08/99/474420899.db2.gz NCHZRXPUXSLAQR-BBRMVZONSA-N 0 1 332.429 2.970 20 5 EFBDMN CC(C)(C)[C@@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000271177227 474424375 /nfs/dbraw/zinc/42/43/75/474424375.db2.gz UEPZMCNNUCMGCQ-YGRLFVJLSA-N 0 1 346.387 2.795 20 5 EFBDMN CC(C)(NC(=O)c1[nH]nc2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000176500232 474488748 /nfs/dbraw/zinc/48/87/48/474488748.db2.gz NOKMIFNHAVODFC-UHFFFAOYSA-N 0 1 328.372 2.862 20 5 EFBDMN O=C(CNCc1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 ZINC000237944870 474510141 /nfs/dbraw/zinc/51/01/41/474510141.db2.gz LJVWOOKGHVWSTK-UHFFFAOYSA-N 0 1 325.368 2.664 20 5 EFBDMN C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1CO ZINC000249148107 474538122 /nfs/dbraw/zinc/53/81/22/474538122.db2.gz ZQGDABJQHRZPBA-ABAIWWIYSA-N 0 1 333.413 2.921 20 5 EFBDMN C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1CO ZINC000249148107 474538128 /nfs/dbraw/zinc/53/81/28/474538128.db2.gz ZQGDABJQHRZPBA-ABAIWWIYSA-N 0 1 333.413 2.921 20 5 EFBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000271423351 474540083 /nfs/dbraw/zinc/54/00/83/474540083.db2.gz CHILYTFNUZHNPA-GFCCVEGCSA-N 0 1 325.368 2.965 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000266960243 474547711 /nfs/dbraw/zinc/54/77/11/474547711.db2.gz UEWJBBMQALMYRK-TZMCWYRMSA-N 0 1 328.372 2.720 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000266976540 474553816 /nfs/dbraw/zinc/55/38/16/474553816.db2.gz YCZCBQMBQRMUAU-OTYXRUKQSA-N 0 1 332.335 2.989 20 5 EFBDMN Cc1csc([C@@H](C)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000184709576 474590854 /nfs/dbraw/zinc/59/08/54/474590854.db2.gz UMZDVQQYFSHEGV-QMMMGPOBSA-N 0 1 345.384 2.770 20 5 EFBDMN C[C@@H]1CN(C[C@H]2CCCN2Cc2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000249823976 474618057 /nfs/dbraw/zinc/61/80/57/474618057.db2.gz OZGMPQIQJGZNPU-UMVBOHGHSA-N 0 1 339.461 2.730 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000284359054 474626524 /nfs/dbraw/zinc/62/65/24/474626524.db2.gz SQMLYAAMSMAAMD-RYUDHWBXSA-N 0 1 332.360 2.520 20 5 EFBDMN C[C@H]1COc2ccccc2CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000272890426 474635288 /nfs/dbraw/zinc/63/52/88/474635288.db2.gz DUYAYDUKHZXSHF-SUMWQHHRSA-N 0 1 328.368 2.911 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H](O)C34CCCC4)o2)cc1 ZINC000292831093 474664877 /nfs/dbraw/zinc/66/48/77/474664877.db2.gz UCZJQVOGEOSUTK-CQSZACIVSA-N 0 1 344.371 2.524 20 5 EFBDMN COc1ccc(-c2ccc(CN[C@@H]3C=C[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000305141446 474702589 /nfs/dbraw/zinc/70/25/89/474702589.db2.gz QHBIPUVRMYAANQ-QWHCGFSZSA-N 0 1 344.367 2.890 20 5 EFBDMN O=[N+]([O-])c1ccccc1CNCc1cccc(N2CCOCC2)c1 ZINC000293001129 474758474 /nfs/dbraw/zinc/75/84/74/474758474.db2.gz OVQMQYNBMYFRLN-UHFFFAOYSA-N 0 1 327.384 2.721 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)N2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000268030154 474759347 /nfs/dbraw/zinc/75/93/47/474759347.db2.gz MGGXDIBMRSQSMO-CQSZACIVSA-N 0 1 334.420 2.700 20 5 EFBDMN C[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1CO ZINC000305742904 474763144 /nfs/dbraw/zinc/76/31/44/474763144.db2.gz SUWGTAXRWOJKJU-WBMJQRKESA-N 0 1 331.372 2.843 20 5 EFBDMN CC(C)(CO)[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000293014176 474766952 /nfs/dbraw/zinc/76/69/52/474766952.db2.gz KBJNUYOKYGPRRF-HNNXBMFYSA-N 0 1 346.387 2.532 20 5 EFBDMN Cc1nn2c(CN(C)CCc3cccc([N+](=O)[O-])c3)c(C)nc2s1 ZINC000338955370 474775699 /nfs/dbraw/zinc/77/56/99/474775699.db2.gz VCFUTWLOMXAOAE-UHFFFAOYSA-N 0 1 345.428 2.990 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2[C@H]2CCCO2)c2c(c1)COCO2 ZINC000284837188 474793394 /nfs/dbraw/zinc/79/33/94/474793394.db2.gz QSQOUJIFSOHLGU-JKSUJKDBSA-N 0 1 334.372 2.605 20 5 EFBDMN CC(C)[C@]1(CO)CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000293098395 474810781 /nfs/dbraw/zinc/81/07/81/474810781.db2.gz QCBSAFOSKPOSOW-QGZVFWFLSA-N 0 1 333.388 2.967 20 5 EFBDMN Cc1cc(C)c(S(=O)(=O)Nc2cncc(F)c2)cc1[N+](=O)[O-] ZINC000337243716 474819237 /nfs/dbraw/zinc/81/92/37/474819237.db2.gz BUHZLWUWTIBPGE-UHFFFAOYSA-N 0 1 325.321 2.547 20 5 EFBDMN COCCn1cc(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000337248514 474823679 /nfs/dbraw/zinc/82/36/79/474823679.db2.gz IXTDAZQCKMQQDE-UHFFFAOYSA-N 0 1 332.404 2.851 20 5 EFBDMN Cc1cc(NC2CCN(Cc3cccnc3)CC2)ncc1[N+](=O)[O-] ZINC000278803518 474842763 /nfs/dbraw/zinc/84/27/63/474842763.db2.gz YLDUVVGQCFFFBG-UHFFFAOYSA-N 0 1 327.388 2.770 20 5 EFBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccsc1 ZINC000314131732 474860652 /nfs/dbraw/zinc/86/06/52/474860652.db2.gz HDMOOXRSSMKHKF-MRVPVSSYSA-N 0 1 330.362 2.835 20 5 EFBDMN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000292177576 474889598 /nfs/dbraw/zinc/88/95/98/474889598.db2.gz QGHAPBCDBTYJNU-ZWNOBZJWSA-N 0 1 345.321 2.626 20 5 EFBDMN C[C@H]1CCC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000319047907 474895934 /nfs/dbraw/zinc/89/59/34/474895934.db2.gz CQZBPSTYNBORID-QWRGUYRKSA-N 0 1 330.381 2.839 20 5 EFBDMN C[C@@H]1CC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000319050654 474897050 /nfs/dbraw/zinc/89/70/50/474897050.db2.gz DFOHBQBLPAGBAZ-GMTAPVOTSA-N 0 1 330.381 2.837 20 5 EFBDMN C[C@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000320021508 474906846 /nfs/dbraw/zinc/90/68/46/474906846.db2.gz HELSMUAOVJDMIW-WDEREUQCSA-N 0 1 330.381 2.981 20 5 EFBDMN CCc1nocc1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000293281627 474907409 /nfs/dbraw/zinc/90/74/09/474907409.db2.gz CPYAGRABROPGAP-UHFFFAOYSA-N 0 1 346.387 2.914 20 5 EFBDMN Cc1noc(C2(C)CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000339080516 474909676 /nfs/dbraw/zinc/90/96/76/474909676.db2.gz FDSMQNZGWXUZJM-UHFFFAOYSA-N 0 1 332.360 2.546 20 5 EFBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000339083739 474912529 /nfs/dbraw/zinc/91/25/29/474912529.db2.gz LCCVCOXIKMQVBP-MRCXROJRSA-N 0 1 330.306 2.816 20 5 EFBDMN CCC[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000339084140 474912638 /nfs/dbraw/zinc/91/26/38/474912638.db2.gz QUFJBOYOKAURIQ-CQSZACIVSA-N 0 1 341.371 2.974 20 5 EFBDMN COCCc1ccnc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)c1 ZINC000285240330 474940432 /nfs/dbraw/zinc/94/04/32/474940432.db2.gz RDKDYXGWSYBYKA-UHFFFAOYSA-N 0 1 333.344 2.505 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293369045 474948246 /nfs/dbraw/zinc/94/82/46/474948246.db2.gz JAEQZAWFMISBKH-FRRDWIJNSA-N 0 1 345.403 2.730 20 5 EFBDMN CCN1C[C@H](C)N(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000345160410 474949066 /nfs/dbraw/zinc/94/90/66/474949066.db2.gz JDNHQBNYNAKGCU-NEPJUHHUSA-N 0 1 331.376 2.564 20 5 EFBDMN COC(=O)c1cc(CN(C)CCc2ccccc2[N+](=O)[O-])oc1C ZINC000285263926 474950978 /nfs/dbraw/zinc/95/09/78/474950978.db2.gz IBPLSHZLCBVTSM-UHFFFAOYSA-N 0 1 332.356 2.957 20 5 EFBDMN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339131747 474961791 /nfs/dbraw/zinc/96/17/91/474961791.db2.gz VQQSDRANRNBFAI-QGZVFWFLSA-N 0 1 336.388 2.712 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC(Oc2ncccc2F)CC1 ZINC000339133190 474964377 /nfs/dbraw/zinc/96/43/77/474964377.db2.gz UZQHEGUGWWRWNF-UHFFFAOYSA-N 0 1 347.346 2.878 20 5 EFBDMN Cc1ccccc1CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000324585425 474972465 /nfs/dbraw/zinc/97/24/65/474972465.db2.gz YFGYILUPTDEBBE-UHFFFAOYSA-N 0 1 338.360 2.563 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000285351378 474983529 /nfs/dbraw/zinc/98/35/29/474983529.db2.gz AKDJJRVKWIXBRV-XYPHTWIQSA-N 0 1 346.431 2.841 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000285351362 474984912 /nfs/dbraw/zinc/98/49/12/474984912.db2.gz AKDJJRVKWIXBRV-XKQJLSEDSA-N 0 1 346.431 2.841 20 5 EFBDMN CSC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000292373092 474988156 /nfs/dbraw/zinc/98/81/56/474988156.db2.gz JAHZLCBKTXRHOS-STQMWFEESA-N 0 1 337.445 2.997 20 5 EFBDMN COC(=O)[C@]1(C)CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000337419589 474998226 /nfs/dbraw/zinc/99/82/26/474998226.db2.gz ARQGJYLAWGLKJQ-ZUZCIYMTSA-N 0 1 326.780 2.879 20 5 EFBDMN Cc1nn(C)c2ncc(CNCc3cccc([N+](=O)[O-])c3C)cc12 ZINC000326444520 475005502 /nfs/dbraw/zinc/00/55/02/475005502.db2.gz MSNHXSBYQCYNEJ-UHFFFAOYSA-N 0 1 325.372 2.783 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@](C)(C(=O)OC)C1 ZINC000337429988 475008793 /nfs/dbraw/zinc/00/87/93/475008793.db2.gz FPFGEDVVQDOAPU-SJKOYZFVSA-N 0 1 336.388 2.625 20 5 EFBDMN C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000292522245 475068543 /nfs/dbraw/zinc/06/85/43/475068543.db2.gz WIUDIVCLEQFRET-SUMWQHHRSA-N 0 1 328.368 2.911 20 5 EFBDMN C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000292522242 475069116 /nfs/dbraw/zinc/06/91/16/475069116.db2.gz WIUDIVCLEQFRET-GUYCJALGSA-N 0 1 328.368 2.911 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268921521 475072650 /nfs/dbraw/zinc/07/26/50/475072650.db2.gz WUPLEYCJYBVTLR-NSHDSACASA-N 0 1 331.332 2.526 20 5 EFBDMN O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000281108722 475074969 /nfs/dbraw/zinc/07/49/69/475074969.db2.gz WPRRTVBCIWLQQW-SFHVURJKSA-N 0 1 343.383 2.660 20 5 EFBDMN CC(C)(NC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000292568179 475091860 /nfs/dbraw/zinc/09/18/60/475091860.db2.gz LAKWZCJJEFNOGN-ZDUSSCGKSA-N 0 1 343.387 2.930 20 5 EFBDMN CC(C)(NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000292568176 475091991 /nfs/dbraw/zinc/09/19/91/475091991.db2.gz LAKWZCJJEFNOGN-CYBMUJFWSA-N 0 1 343.387 2.930 20 5 EFBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCc2cn[nH]c21 ZINC000269000842 475121221 /nfs/dbraw/zinc/12/12/21/475121221.db2.gz QSXUAEXSDKQWSG-CYBMUJFWSA-N 0 1 334.763 2.708 20 5 EFBDMN CO[C@]1(C)CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000295952821 475139915 /nfs/dbraw/zinc/13/99/15/475139915.db2.gz JKCRXFVYXXVTOW-QGZVFWFLSA-N 0 1 344.371 2.626 20 5 EFBDMN CC(C)[C@@H](CCO)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000273962928 475140050 /nfs/dbraw/zinc/14/00/50/475140050.db2.gz GPYAIJQXJROYOS-SMDDNHRTSA-N 0 1 334.376 2.702 20 5 EFBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269043200 475143373 /nfs/dbraw/zinc/14/33/73/475143373.db2.gz YRJIVGHJZYTKDR-QMTHXVAHSA-N 0 1 346.412 2.992 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000287554086 475192801 /nfs/dbraw/zinc/19/28/01/475192801.db2.gz WKQZFSPDGSLRNP-NEPJUHHUSA-N 0 1 338.408 2.597 20 5 EFBDMN COCCN(C)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000296117706 475201130 /nfs/dbraw/zinc/20/11/30/475201130.db2.gz SUELRHIJQIHZIR-AWEZNQCLSA-N 0 1 344.415 2.923 20 5 EFBDMN CC1(C)C[C@H](O)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000296209675 475224399 /nfs/dbraw/zinc/22/43/99/475224399.db2.gz VPBSLQIOBRERBS-CQSZACIVSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@@]12CCCN1C[C@@H](c1noc(-c3cc(F)cc([N+](=O)[O-])c3)n1)OC2 ZINC000347325681 475231863 /nfs/dbraw/zinc/23/18/63/475231863.db2.gz HQBGKJFLBLLKBT-BBRMVZONSA-N 0 1 348.334 2.710 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2CN3CCC[C@]3(C)CO2)no1 ZINC000347333407 475239494 /nfs/dbraw/zinc/23/94/94/475239494.db2.gz YUKVXEWJMLYLGY-RHSMWYFYSA-N 0 1 344.371 2.879 20 5 EFBDMN CCCc1[nH]nc(C(=O)Nc2nnc(-c3ccco3)s2)c1[N+](=O)[O-] ZINC000345548982 475258055 /nfs/dbraw/zinc/25/80/55/475258055.db2.gz SJSHQDRQZDZGJY-UHFFFAOYSA-N 0 1 348.344 2.634 20 5 EFBDMN CO[C@@]1(C)C[C@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000296330572 475270709 /nfs/dbraw/zinc/27/07/09/475270709.db2.gz QRYVFKYZXKTHAT-GUYCJALGSA-N 0 1 346.387 2.938 20 5 EFBDMN CCCN1CCN(C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361213526 475274274 /nfs/dbraw/zinc/27/42/74/475274274.db2.gz ZELSNYYKPYLTCP-INIZCTEOSA-N 0 1 333.432 2.718 20 5 EFBDMN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc21 ZINC000341752339 475274536 /nfs/dbraw/zinc/27/45/36/475274536.db2.gz WSJRBZHHUPEBHW-UHFFFAOYSA-N 0 1 327.384 2.550 20 5 EFBDMN O=C1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CN1c1ccccc1F ZINC000361228043 475286005 /nfs/dbraw/zinc/28/60/05/475286005.db2.gz JOPHFULVMFOYPF-CYBMUJFWSA-N 0 1 329.331 2.629 20 5 EFBDMN CC1(C)[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]2CCO[C@H]21 ZINC000296407634 475301249 /nfs/dbraw/zinc/30/12/49/475301249.db2.gz VBCNGFZUICSOFA-NWANDNLSSA-N 0 1 344.371 2.548 20 5 EFBDMN Cc1c(Br)c(N(C)CCN2CCCC2)ncc1[N+](=O)[O-] ZINC000347410593 475305640 /nfs/dbraw/zinc/30/56/40/475305640.db2.gz PHBAVVQLWJLDHX-UHFFFAOYSA-N 0 1 343.225 2.593 20 5 EFBDMN CC(C)(C(=O)Nc1cc(Cl)c(O)cc1F)n1cc([N+](=O)[O-])cn1 ZINC000345640848 475328215 /nfs/dbraw/zinc/32/82/15/475328215.db2.gz ZEKZPIDSIFGBNP-UHFFFAOYSA-N 0 1 342.714 2.663 20 5 EFBDMN CC[C@@H](N[C@@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352496577 475351160 /nfs/dbraw/zinc/35/11/60/475351160.db2.gz XFIPVQHKVVVAHY-KGLIPLIRSA-N 0 1 325.434 2.503 20 5 EFBDMN Cc1csc([C@H]2CCCCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 ZINC000331635464 475358550 /nfs/dbraw/zinc/35/85/50/475358550.db2.gz OSZLRQPOFAEMLM-SNVBAGLBSA-N 0 1 335.389 2.759 20 5 EFBDMN CC1=CCN(CCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358047752 475360664 /nfs/dbraw/zinc/36/06/64/475360664.db2.gz MLHWDWMFJBCWOJ-ZDUSSCGKSA-N 0 1 335.379 2.606 20 5 EFBDMN COC(=O)Cc1ccc(NC[C@H](c2ccco2)N(C)C)c([N+](=O)[O-])c1 ZINC000296563506 475371722 /nfs/dbraw/zinc/37/17/22/475371722.db2.gz PSVGUTHVXWLGIA-OAHLLOKOSA-N 0 1 347.371 2.618 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000331696693 475380830 /nfs/dbraw/zinc/38/08/30/475380830.db2.gz ZFNXONBNBCWXFA-GFCCVEGCSA-N 0 1 329.360 2.814 20 5 EFBDMN CC(C)(C)[C@H]1CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331720939 475389954 /nfs/dbraw/zinc/38/99/54/475389954.db2.gz KIVTWWYQYBBAIF-MRXNPFEDSA-N 0 1 331.416 2.994 20 5 EFBDMN Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331783557 475412277 /nfs/dbraw/zinc/41/22/77/475412277.db2.gz IEOVOWCUXWDIMM-MRXNPFEDSA-N 0 1 330.388 2.988 20 5 EFBDMN Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331783557 475412286 /nfs/dbraw/zinc/41/22/86/475412286.db2.gz IEOVOWCUXWDIMM-MRXNPFEDSA-N 0 1 330.388 2.988 20 5 EFBDMN C[C@H]1CCN(C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358123088 475418809 /nfs/dbraw/zinc/41/88/09/475418809.db2.gz MJTGEOBRYCZJMR-LBPRGKRZSA-N 0 1 337.395 2.564 20 5 EFBDMN C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCOC1 ZINC000348135909 475418862 /nfs/dbraw/zinc/41/88/62/475418862.db2.gz LWIPDZCOWMZJHK-WCQYABFASA-N 0 1 332.360 2.550 20 5 EFBDMN Cc1c(CNC(=O)N2CCC(c3cnc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000331835443 475429020 /nfs/dbraw/zinc/42/90/20/475429020.db2.gz ATFXJPCMSCYWGL-UHFFFAOYSA-N 0 1 343.387 2.716 20 5 EFBDMN CC(C)[C@@]1(CO)CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339706647 475429351 /nfs/dbraw/zinc/42/93/51/475429351.db2.gz VTJBCCSNVDUYTA-KDOFPFPSSA-N 0 1 349.431 2.652 20 5 EFBDMN Cc1cccc(CNC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296714064 475443240 /nfs/dbraw/zinc/44/32/40/475443240.db2.gz MIZDGLQHKUGEDF-AWEZNQCLSA-N 0 1 327.384 2.870 20 5 EFBDMN COCCN(C[C@H]1CC=CCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000361434535 475447610 /nfs/dbraw/zinc/44/76/10/475447610.db2.gz NTHZMJUSIZMBRM-ZDUSSCGKSA-N 0 1 334.372 2.745 20 5 EFBDMN CCc1[nH]nc(C(=O)N2Cc3ccccc3C(C)(C)C2)c1[N+](=O)[O-] ZINC000331934594 475460192 /nfs/dbraw/zinc/46/01/92/475460192.db2.gz GRPDYRVLQHHWDF-UHFFFAOYSA-N 0 1 328.372 2.814 20 5 EFBDMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331953484 475467415 /nfs/dbraw/zinc/46/74/15/475467415.db2.gz KVIFXSBTXDXFCJ-PJODQICGSA-N 0 1 334.372 2.607 20 5 EFBDMN Cc1[nH]nc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)c1[N+](=O)[O-] ZINC000332049457 475495058 /nfs/dbraw/zinc/49/50/58/475495058.db2.gz ZIZGEDSVFYQSGL-PSASIEDQSA-N 0 1 332.335 2.913 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)[C@@H]1CCC[C@@H]1O ZINC000352656512 475499314 /nfs/dbraw/zinc/49/93/14/475499314.db2.gz AXGLSRZATHUKFY-HONMWMINSA-N 0 1 332.360 2.551 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)c1[N+](=O)[O-] ZINC000332095467 475508992 /nfs/dbraw/zinc/50/89/92/475508992.db2.gz DPTUPNTXFHDVFB-CYBMUJFWSA-N 0 1 328.372 2.873 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000332139697 475528393 /nfs/dbraw/zinc/52/83/93/475528393.db2.gz MDFBFQLOMUIEHW-VIFPVBQESA-N 0 1 336.298 2.534 20 5 EFBDMN O=C(NCc1cccc(-c2ncc[nH]2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000342076764 475550324 /nfs/dbraw/zinc/55/03/24/475550324.db2.gz YQZRRXUKWSDPJQ-UHFFFAOYSA-N 0 1 338.323 2.621 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000297004084 475571091 /nfs/dbraw/zinc/57/10/91/475571091.db2.gz QNKMQLGLXDTPFZ-NSHDSACASA-N 0 1 325.796 2.805 20 5 EFBDMN C[C@H](CNc1nccc2cc([N+](=O)[O-])ccc21)CN1CCOCC1 ZINC000297010012 475573412 /nfs/dbraw/zinc/57/34/12/475573412.db2.gz GKOVKPOKAXBFJO-CYBMUJFWSA-N 0 1 330.388 2.523 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000332427211 475633707 /nfs/dbraw/zinc/63/37/07/475633707.db2.gz UXNMADYXQCQFPY-BXUZGUMPSA-N 0 1 328.372 2.892 20 5 EFBDMN C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1CO ZINC000361658572 475637867 /nfs/dbraw/zinc/63/78/67/475637867.db2.gz XXVBPIFBQOLWOP-AAEUAGOBSA-N 0 1 333.413 2.779 20 5 EFBDMN COc1c(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000332458082 475644383 /nfs/dbraw/zinc/64/43/83/475644383.db2.gz PCWHUKRQRIXWRL-UHFFFAOYSA-N 0 1 344.371 2.655 20 5 EFBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CCO)c1ccco1 ZINC000346610414 475698034 /nfs/dbraw/zinc/69/80/34/475698034.db2.gz YCJQHBHRYNLYPS-SWLSCSKDSA-N 0 1 347.371 2.618 20 5 EFBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CCO)c1ccco1 ZINC000346610411 475698156 /nfs/dbraw/zinc/69/81/56/475698156.db2.gz YCJQHBHRYNLYPS-IUODEOHRSA-N 0 1 347.371 2.618 20 5 EFBDMN COC(=O)C[C@@]1(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000361731165 475702991 /nfs/dbraw/zinc/70/29/91/475702991.db2.gz WBXUTVGDFLZBBJ-KRWDZBQOSA-N 0 1 336.388 2.530 20 5 EFBDMN Cc1cccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(F)(F)F)c1 ZINC000358534188 475752099 /nfs/dbraw/zinc/75/20/99/475752099.db2.gz KZYIKCVYXVPMBB-LLVKDONJSA-N 0 1 328.250 2.660 20 5 EFBDMN C[C@@H](NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297472580 475771342 /nfs/dbraw/zinc/77/13/42/475771342.db2.gz UVXKMGNOFIOTAK-ZIAGYGMSSA-N 0 1 346.431 2.782 20 5 EFBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1COC[C@@H]1O ZINC000348648713 475798665 /nfs/dbraw/zinc/79/86/65/475798665.db2.gz RNFCUUAGTPHFNL-GJZGRUSLSA-N 0 1 334.397 2.515 20 5 EFBDMN C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297544085 475801436 /nfs/dbraw/zinc/80/14/36/475801436.db2.gz JCZOLLYUXZDMGR-XEZPLFJOSA-N 0 1 334.420 2.637 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346763890 475838117 /nfs/dbraw/zinc/83/81/17/475838117.db2.gz FNJWSHRASCPCPN-KBPBESRZSA-N 0 1 333.432 2.814 20 5 EFBDMN O=[N+]([O-])c1ccc(CCN2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340208359 475857590 /nfs/dbraw/zinc/85/75/90/475857590.db2.gz DOIAMYUEGWQUSG-KGLIPLIRSA-N 0 1 332.322 2.915 20 5 EFBDMN CC[C@@H](C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000343219632 475864672 /nfs/dbraw/zinc/86/46/72/475864672.db2.gz XXMFIWZDWYEVCH-RNCFNFMXSA-N 0 1 342.359 2.711 20 5 EFBDMN Cc1ccc([C@@H](C)NC[C@@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000346809798 475877533 /nfs/dbraw/zinc/87/75/33/475877533.db2.gz FVWOXJLWPWBVBK-OCCSQVGLSA-N 0 1 326.418 2.521 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358728929 475887526 /nfs/dbraw/zinc/88/75/26/475887526.db2.gz WVTVSXNFUXLFNF-IJEWVQPXSA-N 0 1 333.432 2.715 20 5 EFBDMN C[C@H](NC(=O)N1CCN(C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000355423562 475923636 /nfs/dbraw/zinc/92/36/36/475923636.db2.gz RKERRPXXYSKADB-ZDUSSCGKSA-N 0 1 332.404 2.536 20 5 EFBDMN Nc1ccc(-c2noc(-c3cc(-c4ccco4)n[nH]3)n2)cc1[N+](=O)[O-] ZINC000355429862 475928920 /nfs/dbraw/zinc/92/89/20/475928920.db2.gz PRYCKMHLUSSDQM-UHFFFAOYSA-N 0 1 338.283 2.877 20 5 EFBDMN CCO[C@@H]1COCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000362020427 475941766 /nfs/dbraw/zinc/94/17/66/475941766.db2.gz XKEDOZVSYHTZFR-JKSUJKDBSA-N 0 1 347.371 2.533 20 5 EFBDMN O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000343363549 475988632 /nfs/dbraw/zinc/98/86/32/475988632.db2.gz KKEVOOGWIDDHMN-CXAGYDPISA-N 0 1 342.351 2.808 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1cccnc1 ZINC000346968627 475998338 /nfs/dbraw/zinc/99/83/38/475998338.db2.gz LGFGDRDQFBZKIL-HOTGVXAUSA-N 0 1 343.383 2.567 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2cccnc2)c1 ZINC000346972880 476001218 /nfs/dbraw/zinc/00/12/18/476001218.db2.gz NTSQAHFLSHWAEP-SJLPKXTDSA-N 0 1 343.383 2.567 20 5 EFBDMN O=[N+]([O-])c1cccc([C@H](NC[C@H]2CC[C@H](CO)O2)c2ccccc2)c1 ZINC000340414643 476021217 /nfs/dbraw/zinc/02/12/17/476021217.db2.gz ILUFYGZCVTXFPG-GUDVDZBRSA-N 0 1 342.395 2.814 20 5 EFBDMN COCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[C@@H](C)C1 ZINC000362144970 476030034 /nfs/dbraw/zinc/03/00/34/476030034.db2.gz SOBATISMAQHKMS-UKRRQHHQSA-N 0 1 349.431 2.979 20 5 EFBDMN COCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C)C1 ZINC000362162333 476042909 /nfs/dbraw/zinc/04/29/09/476042909.db2.gz LOYLKKKHXSNZFT-RHSMWYFYSA-N 0 1 349.431 2.695 20 5 EFBDMN COCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000362163499 476043845 /nfs/dbraw/zinc/04/38/45/476043845.db2.gz OOHHIWSEABGPMS-UKRRQHHQSA-N 0 1 349.431 2.979 20 5 EFBDMN Cc1cc(N2CCc3n[nH]c(=O)cc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000355741213 476055224 /nfs/dbraw/zinc/05/52/24/476055224.db2.gz UNXLMDZZQJSKIO-UHFFFAOYSA-N 0 1 337.339 2.510 20 5 EFBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCC(F)(F)C1 ZINC000358941745 476056745 /nfs/dbraw/zinc/05/67/45/476056745.db2.gz ZIACMTPYMWNRLW-VIFPVBQESA-N 0 1 337.286 2.754 20 5 EFBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCC(F)(F)C1 ZINC000358941742 476057108 /nfs/dbraw/zinc/05/71/08/476057108.db2.gz ZIACMTPYMWNRLW-SECBINFHSA-N 0 1 337.286 2.754 20 5 EFBDMN COCc1ccccc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000355835071 476063939 /nfs/dbraw/zinc/06/39/39/476063939.db2.gz QPIXUBBNPJWECZ-UHFFFAOYSA-N 0 1 340.332 2.681 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000298383631 476075023 /nfs/dbraw/zinc/07/50/23/476075023.db2.gz CQIQYROMZXSMJB-AWEZNQCLSA-N 0 1 333.413 2.997 20 5 EFBDMN C[C@@H]1CN(C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353584101 476100877 /nfs/dbraw/zinc/10/08/77/476100877.db2.gz DVUBUOPFRLGMHD-GFCCVEGCSA-N 0 1 332.429 2.854 20 5 EFBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)n2)o1 ZINC000359011714 476113397 /nfs/dbraw/zinc/11/33/97/476113397.db2.gz BQOZGURQMHJINS-UHFFFAOYSA-N 0 1 331.263 2.673 20 5 EFBDMN O=C(CNC/C=C\c1ccccc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000338703972 476120746 /nfs/dbraw/zinc/12/07/46/476120746.db2.gz BCDNLIGCIGZDEJ-XQRVVYSFSA-N 0 1 329.331 2.975 20 5 EFBDMN COC[C@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000353611321 476123864 /nfs/dbraw/zinc/12/38/64/476123864.db2.gz CDJFHXCPRLFBJF-JTQLQIEISA-N 0 1 346.330 2.673 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1O ZINC000336851962 476143281 /nfs/dbraw/zinc/14/32/81/476143281.db2.gz GUTSERUXOULMOB-UHFFFAOYSA-N 0 1 326.305 2.549 20 5 EFBDMN COc1cccc(F)c1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000359061691 476155279 /nfs/dbraw/zinc/15/52/79/476155279.db2.gz CQXSSEAFXMGFKP-UHFFFAOYSA-N 0 1 344.295 2.682 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c1[N+](=O)[O-] ZINC000357052994 476191493 /nfs/dbraw/zinc/19/14/93/476191493.db2.gz GIMULKBZCGLCLG-CFYYFVFUSA-N 0 1 326.356 2.944 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1NC[C@H](O)CN1CCc2ccccc2C1 ZINC000338796273 476192832 /nfs/dbraw/zinc/19/28/32/476192832.db2.gz FZLTYVHMUBWPOL-HNNXBMFYSA-N 0 1 345.374 2.565 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccs1 ZINC000344260852 476194752 /nfs/dbraw/zinc/19/47/52/476194752.db2.gz WJBOWWRWEGVUEU-ZDUSSCGKSA-N 0 1 337.376 2.828 20 5 EFBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnc[nH]2)cc1F ZINC000344274300 476207001 /nfs/dbraw/zinc/20/70/01/476207001.db2.gz DRJLYNSPABCIAQ-UHFFFAOYSA-N 0 1 341.302 2.700 20 5 EFBDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000350487315 476209145 /nfs/dbraw/zinc/20/91/45/476209145.db2.gz ZHACHXBDSIKAGV-CVEARBPZSA-N 0 1 349.431 2.695 20 5 EFBDMN O=C([O-])[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCSC1 ZINC000340692081 476209777 /nfs/dbraw/zinc/20/97/77/476209777.db2.gz RQEQLNSQYYLFPH-MRXNPFEDSA-N 0 1 348.380 2.905 20 5 EFBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000340705982 476221767 /nfs/dbraw/zinc/22/17/67/476221767.db2.gz QZRJXMOWPSFYCR-KRWDZBQOSA-N 0 1 339.395 2.989 20 5 EFBDMN O=[N+]([O-])c1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)F)cs1 ZINC000344323192 476250704 /nfs/dbraw/zinc/25/07/04/476250704.db2.gz ZFMAMBPDWOEPPW-JSGCOSHPSA-N 0 1 342.367 2.983 20 5 EFBDMN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)N3[C@H](C)CC[C@@H]3C)n2)n1C ZINC000350930927 476315592 /nfs/dbraw/zinc/31/55/92/476315592.db2.gz UKTIMXPBUVNGAL-KXUCPTDWSA-N 0 1 334.380 2.621 20 5 EFBDMN C[C@H](C(=O)NC(C)(C)C)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000362595234 476321871 /nfs/dbraw/zinc/32/18/71/476321871.db2.gz AXMHVBFAVZLLIQ-CYBMUJFWSA-N 0 1 337.420 2.599 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000353920961 476324914 /nfs/dbraw/zinc/32/49/14/476324914.db2.gz HAUNSTXARUPGOI-MRXNPFEDSA-N 0 1 334.420 2.961 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc([C@@H]4CCOC4)no3)[nH]n2)cc1 ZINC000351052765 476327778 /nfs/dbraw/zinc/32/77/78/476327778.db2.gz DAPIKYCUBMWLMN-SNVBAGLBSA-N 0 1 327.300 2.539 20 5 EFBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)CC[C@H]1C ZINC000354005843 476355993 /nfs/dbraw/zinc/35/59/93/476355993.db2.gz IQGJCRDPKWQOBR-CHWSQXEVSA-N 0 1 337.445 2.628 20 5 EFBDMN O=[N+]([O-])c1cccc(CN2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000360782745 476382966 /nfs/dbraw/zinc/38/29/66/476382966.db2.gz PPYVRCNEWMKYEW-UHFFFAOYSA-N 0 1 341.415 2.902 20 5 EFBDMN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN(CC(C)C)CCO1 ZINC000362820813 476426929 /nfs/dbraw/zinc/42/69/29/476426929.db2.gz RLDZWWDKHZOAKQ-MRXNPFEDSA-N 0 1 337.420 2.510 20 5 EFBDMN CC[C@H]1CO[C@@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357522877 476429959 /nfs/dbraw/zinc/42/99/59/476429959.db2.gz KNGNMWSAXLJTEY-KBPBESRZSA-N 0 1 335.404 2.731 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000360887718 476456183 /nfs/dbraw/zinc/45/61/83/476456183.db2.gz WVKNHLPUSALGDJ-GRYCIOLGSA-N 0 1 342.392 2.981 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000360887721 476456671 /nfs/dbraw/zinc/45/66/71/476456671.db2.gz WVKNHLPUSALGDJ-SDDRHHMPSA-N 0 1 342.392 2.981 20 5 EFBDMN Cc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1[N+](=O)[O-] ZINC000369691233 476480072 /nfs/dbraw/zinc/48/00/72/476480072.db2.gz CXVWUKACNIMEIA-UHFFFAOYSA-N 0 1 345.359 2.845 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000360946325 476493576 /nfs/dbraw/zinc/49/35/76/476493576.db2.gz UTZAPCQLDKGULD-IIAWOOMASA-N 0 1 333.432 2.715 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000360946328 476494222 /nfs/dbraw/zinc/49/42/22/476494222.db2.gz UTZAPCQLDKGULD-SQWLQELKSA-N 0 1 333.432 2.715 20 5 EFBDMN COc1ccc(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)c(OC)c1 ZINC000357659599 476521808 /nfs/dbraw/zinc/52/18/08/476521808.db2.gz MSAZIZPLIVXFEX-UHFFFAOYSA-N 0 1 332.312 2.594 20 5 EFBDMN COc1cccc2c1CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000360995129 476532130 /nfs/dbraw/zinc/53/21/30/476532130.db2.gz MCKLJXWBAWYUOM-UHFFFAOYSA-N 0 1 328.324 2.508 20 5 EFBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000352184442 476532266 /nfs/dbraw/zinc/53/22/66/476532266.db2.gz QXRVTSDXBPGFFD-UHFFFAOYSA-N 0 1 327.275 2.771 20 5 EFBDMN COc1cc(CN=c2[nH]c3cccc(C)c3o2)cc([N+](=O)[O-])c1O ZINC000357716850 476555794 /nfs/dbraw/zinc/55/57/94/476555794.db2.gz PCRPTPFZDBKVLX-UHFFFAOYSA-N 0 1 329.312 2.793 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(CN(C)C)c(F)c1 ZINC000361042060 476560741 /nfs/dbraw/zinc/56/07/41/476560741.db2.gz IBJVBHDBHOHBMK-UHFFFAOYSA-N 0 1 335.383 2.932 20 5 EFBDMN CCc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccn1C ZINC000354286066 476561373 /nfs/dbraw/zinc/56/13/73/476561373.db2.gz YFWVFBMNJRLAGR-UHFFFAOYSA-N 0 1 340.343 2.533 20 5 EFBDMN Cc1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000374907713 476586687 /nfs/dbraw/zinc/58/66/87/476586687.db2.gz FWBGTZVRLRUPHA-MRXNPFEDSA-N 0 1 334.416 2.921 20 5 EFBDMN Cc1[nH]nc(C(=O)N(C)Cc2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000354324096 476586979 /nfs/dbraw/zinc/58/69/79/476586979.db2.gz KPILLXZIHGFSSF-UHFFFAOYSA-N 0 1 331.357 2.508 20 5 EFBDMN CCO[C@@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C(C)C ZINC000352258866 476592013 /nfs/dbraw/zinc/59/20/13/476592013.db2.gz CBVHLRRTDJKVHE-ZDUSSCGKSA-N 0 1 347.375 2.770 20 5 EFBDMN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000365662582 476668215 /nfs/dbraw/zinc/66/82/15/476668215.db2.gz OIPRESSDHCQJJB-VFZGTOFNSA-N 0 1 338.323 2.723 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000365798489 476705427 /nfs/dbraw/zinc/70/54/27/476705427.db2.gz VIHRZKBSAIUYNH-ZDUSSCGKSA-N 0 1 335.360 2.752 20 5 EFBDMN COc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1F ZINC000365823310 476716184 /nfs/dbraw/zinc/71/61/84/476716184.db2.gz VCMVOGWVINKMEY-UHFFFAOYSA-N 0 1 334.351 2.776 20 5 EFBDMN CCCCNC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430224478 476784126 /nfs/dbraw/zinc/78/41/26/476784126.db2.gz KEVIHCKFGQUWCM-OAHLLOKOSA-N 0 1 349.431 2.732 20 5 EFBDMN CCO[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456962842 476807293 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EFBDMN O=C([O-])c1cc(N2CC[NH+](Cc3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000560879080 478140155 /nfs/dbraw/zinc/14/01/55/478140155.db2.gz UDTXZOUNYDDLFO-UHFFFAOYSA-N 0 1 347.396 2.677 20 5 EFBDMN CO[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H](C)C1 ZINC000451664537 478148112 /nfs/dbraw/zinc/14/81/12/478148112.db2.gz YXDQJYOYKSGQMO-RISCZKNCSA-N 0 1 344.371 2.624 20 5 EFBDMN CO[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1OC ZINC000488571853 478163442 /nfs/dbraw/zinc/16/34/42/478163442.db2.gz HBIFPEAFQQARGC-IRXDYDNUSA-N 0 1 332.356 2.700 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN2CCc3ccccc3[C@H]2CO)c1 ZINC000440939362 478176762 /nfs/dbraw/zinc/17/67/62/478176762.db2.gz VJSIZOHHARBELI-GOSISDBHSA-N 0 1 328.368 2.565 20 5 EFBDMN CC(C)Oc1nc(N[C@H](C)c2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000518564361 478179150 /nfs/dbraw/zinc/17/91/50/478179150.db2.gz NHJNYWBCOOSKSG-SNVBAGLBSA-N 0 1 334.380 2.614 20 5 EFBDMN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000451779521 478201519 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326.393 2.595 20 5 EFBDMN COC(C)(C)CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520472032 478314901 /nfs/dbraw/zinc/31/49/01/478314901.db2.gz AKVTYSXLRLQMKD-SNVBAGLBSA-N 0 1 343.811 2.932 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000490290500 478326822 /nfs/dbraw/zinc/32/68/22/478326822.db2.gz RMHOQKRIIBYGSL-OAHLLOKOSA-N 0 1 333.432 2.932 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000490290500 478326823 /nfs/dbraw/zinc/32/68/23/478326823.db2.gz RMHOQKRIIBYGSL-OAHLLOKOSA-N 0 1 333.432 2.932 20 5 EFBDMN CCC(C)(C)N1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000594389913 478356995 /nfs/dbraw/zinc/35/69/95/478356995.db2.gz PYRCDGDKTWLTAP-UHFFFAOYSA-N 0 1 335.404 2.550 20 5 EFBDMN CNC(=O)c1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000570651570 478408641 /nfs/dbraw/zinc/40/86/41/478408641.db2.gz SCHCADPPWWLWAT-MRXNPFEDSA-N 0 1 325.368 2.732 20 5 EFBDMN CCc1noc(C)c1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662759 478413619 /nfs/dbraw/zinc/41/36/19/478413619.db2.gz WALPJUREXFFLDO-UHFFFAOYSA-N 0 1 332.360 2.572 20 5 EFBDMN COc1ccc(CN[C@H]2CCc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000594512213 478418796 /nfs/dbraw/zinc/41/87/96/478418796.db2.gz VAQWXLREGYUMBS-HNNXBMFYSA-N 0 1 341.367 2.647 20 5 EFBDMN CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597603435 478427265 /nfs/dbraw/zinc/42/72/65/478427265.db2.gz BUYRHPWJZFLMDD-LLVKDONJSA-N 0 1 341.795 2.510 20 5 EFBDMN CCc1ccc([C@@H]2CNCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000581806599 478441689 /nfs/dbraw/zinc/44/16/89/478441689.db2.gz RENXURCKLNJIJE-SFHVURJKSA-N 0 1 339.395 2.944 20 5 EFBDMN O=[N+]([O-])c1ccc2ccnc(NCc3n[nH]c([C@H]4CCCO4)n3)c2c1 ZINC000594589753 478451007 /nfs/dbraw/zinc/45/10/07/478451007.db2.gz NIWACMIUSZXFPY-CYBMUJFWSA-N 0 1 340.343 2.725 20 5 EFBDMN CCOc1cc(NCc2n[nH]c([C@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000594590537 478452793 /nfs/dbraw/zinc/45/27/93/478452793.db2.gz YBPUOZBVMQIJTL-GFCCVEGCSA-N 0 1 333.348 2.575 20 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O=C([O-])[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCC[C@@H]21 ZINC000600675608 478464311 /nfs/dbraw/zinc/46/43/11/478464311.db2.gz QSCUAQTYELUXSN-JMSVASOKSA-N 0 1 344.371 2.546 20 5 EFBDMN CN(Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)C1CCCCC1 ZINC000594650996 478478946 /nfs/dbraw/zinc/47/89/46/478478946.db2.gz KGYBKQGRPKBKDO-UHFFFAOYSA-N 0 1 329.404 2.999 20 5 EFBDMN CO[C@H](CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000594696465 478501960 /nfs/dbraw/zinc/50/19/60/478501960.db2.gz OKAUDSZXSSFBID-OAHLLOKOSA-N 0 1 342.417 2.932 20 5 EFBDMN COc1ccc(CC(=O)Nc2c(C)n[nH]c2C(F)F)cc1[N+](=O)[O-] ZINC000540920572 478509978 /nfs/dbraw/zinc/50/99/78/478509978.db2.gz MJBZEGRHZKGTFC-UHFFFAOYSA-N 0 1 340.286 2.754 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000594733633 478520199 /nfs/dbraw/zinc/52/01/99/478520199.db2.gz ADGRTZORWUGLBX-BBWFWOEESA-N 0 1 348.399 2.939 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000571213886 478544416 /nfs/dbraw/zinc/54/44/16/478544416.db2.gz PYIGXJMUAATZKG-ZDUSSCGKSA-N 0 1 348.403 2.897 20 5 EFBDMN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000496136602 478561384 /nfs/dbraw/zinc/56/13/84/478561384.db2.gz HRZFUNWLTARPTO-ZLKJLUDKSA-N 0 1 349.387 2.876 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000563537439 478582033 /nfs/dbraw/zinc/58/20/33/478582033.db2.gz MBIRFKZKXMXHPQ-ZFWWWQNUSA-N 0 1 345.399 2.746 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCc3ccc(C)cc3C2)c1[N+](=O)[O-] ZINC000597966445 478598580 /nfs/dbraw/zinc/59/85/80/478598580.db2.gz VBZWNSFOWZXRJS-UHFFFAOYSA-N 0 1 328.372 2.777 20 5 EFBDMN COc1ccccc1[C@@H](N)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000591681037 478605573 /nfs/dbraw/zinc/60/55/73/478605573.db2.gz MZYFVKQLPWJPNU-HNNXBMFYSA-N 0 1 343.383 2.650 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C[C@@H]1CC ZINC000582506365 478615214 /nfs/dbraw/zinc/61/52/14/478615214.db2.gz BOQKZGGCVWQSNB-CVEARBPZSA-N 0 1 333.432 2.716 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC(=O)N1CCCCC1 ZINC000595012484 478629756 /nfs/dbraw/zinc/62/97/56/478629756.db2.gz ORTOZAVVQAOZGS-ZDUSSCGKSA-N 0 1 335.404 2.657 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595026821 478633503 /nfs/dbraw/zinc/63/35/03/478633503.db2.gz MMWBQNNAZQOOLU-NWDGAFQWSA-N 0 1 335.404 2.653 20 5 EFBDMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000571895173 478703303 /nfs/dbraw/zinc/70/33/03/478703303.db2.gz MIWOWCGKFLWJHF-BZNIZROVSA-N 0 1 346.412 2.771 20 5 EFBDMN CCN(CC)C(=O)CN1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000601182751 478711011 /nfs/dbraw/zinc/71/10/11/478711011.db2.gz WGARADOIIGIHFA-UHFFFAOYSA-N 0 1 348.447 2.648 20 5 EFBDMN O=C([O-])[C@]12C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]1CCCC2 ZINC000595279087 478711101 /nfs/dbraw/zinc/71/11/01/478711101.db2.gz GRFIGWFNXRPWEH-RDTXWAMCSA-N 0 1 348.399 2.941 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000595279726 478712010 /nfs/dbraw/zinc/71/20/10/478712010.db2.gz ZZPCBBZPEMXCRB-MRXNPFEDSA-N 0 1 342.351 2.946 20 5 EFBDMN CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595297658 478721985 /nfs/dbraw/zinc/72/19/85/478721985.db2.gz INUHCKWRTIERHS-CQSZACIVSA-N 0 1 337.395 2.862 20 5 EFBDMN Cc1noc(CN2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595403438 478762833 /nfs/dbraw/zinc/76/28/33/478762833.db2.gz FICDEHCIIIZRBC-UONOGXRCSA-N 0 1 344.415 2.986 20 5 EFBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](n1cncn1)C(F)(F)F ZINC000601293654 478768878 /nfs/dbraw/zinc/76/88/78/478768878.db2.gz IJIPSGQQZKSICY-YPMHNXCESA-N 0 1 341.293 2.567 20 5 EFBDMN Cc1c([C@H](C)NC[C@H](n2cncn2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000601295390 478769294 /nfs/dbraw/zinc/76/92/94/478769294.db2.gz VONWULQERXSZER-GWCFXTLKSA-N 0 1 343.309 2.949 20 5 EFBDMN O=C(Nc1nc(Sc2ccccc2)ns1)c1c[nH]nc1[N+](=O)[O-] ZINC000583155963 478779014 /nfs/dbraw/zinc/77/90/14/478779014.db2.gz AKTDGLRTSASOFG-UHFFFAOYSA-N 0 1 348.369 2.573 20 5 EFBDMN CN(c1ccccc1)[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000598378065 478794651 /nfs/dbraw/zinc/79/46/51/478794651.db2.gz FOKQDLFZGVKKAX-OAHLLOKOSA-N 0 1 341.367 2.651 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN[C@@H](CCO)c1ccccc1F ZINC000592160305 478805490 /nfs/dbraw/zinc/80/54/90/478805490.db2.gz JKFOQPPSOGZSRL-HNNXBMFYSA-N 0 1 334.347 2.826 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN[C@H](CCO)c1ccccc1F ZINC000592160322 478805560 /nfs/dbraw/zinc/80/55/60/478805560.db2.gz JKFOQPPSOGZSRL-OAHLLOKOSA-N 0 1 334.347 2.826 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595478198 478808919 /nfs/dbraw/zinc/80/89/19/478808919.db2.gz ZBACUFSDBUXKPH-DJIMGWMZSA-N 0 1 331.416 2.516 20 5 EFBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2cnc[nH]2)CC1 ZINC000492068622 478809851 /nfs/dbraw/zinc/80/98/51/478809851.db2.gz OQELXTCPACAZSN-UTCJRWHESA-N 0 1 326.356 2.737 20 5 EFBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595484598 478814754 /nfs/dbraw/zinc/81/47/54/478814754.db2.gz MJLBLRISGISUOF-HLLBOEOZSA-N 0 1 331.416 2.516 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC2(C[C@H]1C)CCOCC2 ZINC000592183126 478816400 /nfs/dbraw/zinc/81/64/00/478816400.db2.gz RKQGQRPRWVFCKB-CQSZACIVSA-N 0 1 347.415 2.733 20 5 EFBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC2(C[C@H]1C)CCOCC2 ZINC000592184030 478817560 /nfs/dbraw/zinc/81/75/60/478817560.db2.gz XRECKWRLOYNLPV-KGLIPLIRSA-N 0 1 347.415 2.813 20 5 EFBDMN C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000583384584 478840011 /nfs/dbraw/zinc/84/00/11/478840011.db2.gz YRNOMNPMTDRLDO-HNNXBMFYSA-N 0 1 335.404 2.754 20 5 EFBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc3ccncc32)c1 ZINC000572465860 478841902 /nfs/dbraw/zinc/84/19/02/478841902.db2.gz HGRPWDJEUVPLGH-UHFFFAOYSA-N 0 1 329.337 2.944 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000544557126 478847429 /nfs/dbraw/zinc/84/74/29/478847429.db2.gz WIDIVOQPJSJRND-NXEZZACHSA-N 0 1 349.366 2.956 20 5 EFBDMN CO[C@@H](CS(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C(C)C ZINC000592385200 478877598 /nfs/dbraw/zinc/87/75/98/478877598.db2.gz REIPVZQFSYJGIA-AWEZNQCLSA-N 0 1 330.406 2.624 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1CN(CCOCCO)C1CCC1 ZINC000595598999 478877978 /nfs/dbraw/zinc/87/79/78/478877978.db2.gz JHWRLBCZQSTHQI-UHFFFAOYSA-N 0 1 328.796 2.612 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000492252480 478893106 /nfs/dbraw/zinc/89/31/06/478893106.db2.gz NKWYONHLJALSME-DHHDDZJSSA-N 0 1 329.360 2.727 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000492312765 478923613 /nfs/dbraw/zinc/92/36/13/478923613.db2.gz MPITVTDXGPSFLQ-WSKFYRRCSA-N 0 1 329.360 2.727 20 5 EFBDMN C[C@@H](CO)[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595670668 478927068 /nfs/dbraw/zinc/92/70/68/478927068.db2.gz HVQLMQMOOAEFGS-WFASDCNBSA-N 0 1 346.387 2.628 20 5 EFBDMN COc1cc(CN2CCCC[C@@H]2[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000595678684 478931426 /nfs/dbraw/zinc/93/14/26/478931426.db2.gz SVHFYZFFSHSHCM-SMDDNHRTSA-N 0 1 326.368 2.725 20 5 EFBDMN COc1cc(CN2CCC[C@H](C)[C@H]2CCO)c([N+](=O)[O-])cc1F ZINC000595702206 478946828 /nfs/dbraw/zinc/94/68/28/478946828.db2.gz SWBOUURCNRYSKA-SMDDNHRTSA-N 0 1 326.368 2.725 20 5 EFBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000565212393 478953255 /nfs/dbraw/zinc/95/32/55/478953255.db2.gz HZJBCTYJGKKBDM-NSHDSACASA-N 0 1 331.376 2.956 20 5 EFBDMN COc1cc(CN2CCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000595772788 478988842 /nfs/dbraw/zinc/98/88/42/478988842.db2.gz UZTQJKORJCIJNE-MWLCHTKSSA-N 0 1 346.330 2.550 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CC(Cc3ccsc3)C2)c1[N+](=O)[O-] ZINC000598778380 479021820 /nfs/dbraw/zinc/02/18/20/479021820.db2.gz FTCMSPJQWBUPEC-UHFFFAOYSA-N 0 1 334.401 2.818 20 5 EFBDMN CC[C@H]1CN(C)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000573239912 479022548 /nfs/dbraw/zinc/02/25/48/479022548.db2.gz UZIFQTUWRJFIAK-ZDUSSCGKSA-N 0 1 342.237 2.883 20 5 EFBDMN C[N@H+]1CC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)C1 ZINC000584159656 479033673 /nfs/dbraw/zinc/03/36/73/479033673.db2.gz QAZJGBHNGAFRDE-CYBMUJFWSA-N 0 1 330.310 2.541 20 5 EFBDMN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]1(C)CO ZINC000595875111 479044182 /nfs/dbraw/zinc/04/41/82/479044182.db2.gz PLZXCXRRFUIHFI-SJKOYZFVSA-N 0 1 331.372 2.700 20 5 EFBDMN C[C@@H]1CCCC[N@H+]1CCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000584234717 479063195 /nfs/dbraw/zinc/06/31/95/479063195.db2.gz QLUBFIBKUDOGAJ-CYBMUJFWSA-N 0 1 335.404 2.898 20 5 EFBDMN CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592828327 479063477 /nfs/dbraw/zinc/06/34/77/479063477.db2.gz GPNQHNWUCQXAJK-ZDUSSCGKSA-N 0 1 325.796 2.805 20 5 EFBDMN O=C(c1cc2c(s1)CCNC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595922235 479076036 /nfs/dbraw/zinc/07/60/36/479076036.db2.gz AXLAIQPFKWBFKV-UHFFFAOYSA-N 0 1 329.381 2.505 20 5 EFBDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000598937556 479090896 /nfs/dbraw/zinc/09/08/96/479090896.db2.gz SNAKTYVTOOTSTA-SWLSCSKDSA-N 0 1 342.399 2.685 20 5 EFBDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000598937554 479091376 /nfs/dbraw/zinc/09/13/76/479091376.db2.gz SNAKTYVTOOTSTA-DOMZBBRYSA-N 0 1 342.399 2.685 20 5 EFBDMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000601962537 479096781 /nfs/dbraw/zinc/09/67/81/479096781.db2.gz FCFPDZYDSYFFCN-KRWDZBQOSA-N 0 1 344.367 2.904 20 5 EFBDMN CCN(CCSC)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000592925425 479100834 /nfs/dbraw/zinc/10/08/34/479100834.db2.gz XCLASXUAAITKPI-UHFFFAOYSA-N 0 1 334.401 2.810 20 5 EFBDMN Cc1cc(N2CCC(CCN3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000596096110 479136732 /nfs/dbraw/zinc/13/67/32/479136732.db2.gz BLHOCZRVZOJPHK-UHFFFAOYSA-N 0 1 339.461 2.903 20 5 EFBDMN C[C@@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000596104459 479140978 /nfs/dbraw/zinc/14/09/78/479140978.db2.gz LDCALMUCNRROMT-NSHDSACASA-N 0 1 346.353 2.661 20 5 EFBDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000584474916 479150280 /nfs/dbraw/zinc/15/02/80/479150280.db2.gz MYJASAFISCHMHP-QGZVFWFLSA-N 0 1 345.355 2.937 20 5 EFBDMN CC[C@@H]1CO[C@@H](CC)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593059361 479150475 /nfs/dbraw/zinc/15/04/75/479150475.db2.gz PLSVZEPRJLDCHU-KGLIPLIRSA-N 0 1 335.404 2.813 20 5 EFBDMN C[C@@H](CN1CCN(C)CC1)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596124571 479151997 /nfs/dbraw/zinc/15/19/97/479151997.db2.gz YYIGWZSIIYVAHI-NSHDSACASA-N 0 1 328.363 2.580 20 5 EFBDMN CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)CO1 ZINC000593063693 479153286 /nfs/dbraw/zinc/15/32/86/479153286.db2.gz VBRJDXRWHBBMPC-DZGCQCFKSA-N 0 1 335.404 2.731 20 5 EFBDMN CCN(CC)Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)o1 ZINC000610774673 479183879 /nfs/dbraw/zinc/18/38/79/479183879.db2.gz JIMXMUAARMVISC-UHFFFAOYSA-N 0 1 332.360 2.985 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC(F)(F)C1 ZINC000610785463 479186177 /nfs/dbraw/zinc/18/61/77/479186177.db2.gz VUXMVTTUYBRGFV-ZETCQYMHSA-N 0 1 340.735 2.714 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C(C)(C)C1 ZINC000603007275 479191736 /nfs/dbraw/zinc/19/17/36/479191736.db2.gz DSLBMHDFZFEADN-UHFFFAOYSA-N 0 1 336.392 2.551 20 5 EFBDMN CS[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000596197657 479192870 /nfs/dbraw/zinc/19/28/70/479192870.db2.gz ZDROIABZUOLBNE-OLZOCXBDSA-N 0 1 342.852 2.659 20 5 EFBDMN CS[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000596197659 479193510 /nfs/dbraw/zinc/19/35/10/479193510.db2.gz ZDROIABZUOLBNE-STQMWFEESA-N 0 1 342.852 2.659 20 5 EFBDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574053596 479206746 /nfs/dbraw/zinc/20/67/46/479206746.db2.gz QADRAWBLMMSQET-ZFWWWQNUSA-N 0 1 342.399 2.903 20 5 EFBDMN Cc1[nH]ncc1CN(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000602172361 479216819 /nfs/dbraw/zinc/21/68/19/479216819.db2.gz KDKIWVQNTWIKMF-UHFFFAOYSA-N 0 1 342.277 2.917 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C1 ZINC000584730369 479222236 /nfs/dbraw/zinc/22/22/36/479222236.db2.gz QNSULSQFXHWDHG-TXEJJXNPSA-N 0 1 330.388 2.631 20 5 EFBDMN O=[N+]([O-])c1cccc(Br)c1NCc1n[nH]c(C2CC2)n1 ZINC000596249335 479224155 /nfs/dbraw/zinc/22/41/55/479224155.db2.gz HBELWTBLOXTQHE-UHFFFAOYSA-N 0 1 338.165 2.965 20 5 EFBDMN COC(=O)C1(N(C)CCCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000610901411 479228403 /nfs/dbraw/zinc/22/84/03/479228403.db2.gz ZTENOSWHFYEWJO-UHFFFAOYSA-N 0 1 336.388 2.781 20 5 EFBDMN C[C@H](C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000593189619 479229912 /nfs/dbraw/zinc/22/99/12/479229912.db2.gz VUBUMGYUUGUTEC-XQHKEYJVSA-N 0 1 337.395 2.777 20 5 EFBDMN CC(C)Oc1cc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000593190710 479231753 /nfs/dbraw/zinc/23/17/53/479231753.db2.gz OISUPUUAKNQYSZ-HZSPNIEDSA-N 0 1 349.431 2.935 20 5 EFBDMN Cc1cc(N2CCC[C@H](N3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000596295220 479242999 /nfs/dbraw/zinc/24/29/99/479242999.db2.gz RDMZHXGDOJEPRX-ZDUSSCGKSA-N 0 1 325.434 2.656 20 5 EFBDMN O=C([O-])c1sccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000574284213 479256988 /nfs/dbraw/zinc/25/69/88/479256988.db2.gz PQLIANJUMLIJLK-UHFFFAOYSA-N 0 1 347.396 2.677 20 5 EFBDMN CC[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](CC)CO1 ZINC000593256566 479263228 /nfs/dbraw/zinc/26/32/28/479263228.db2.gz PJOKSHDZKZIESO-ZYHUDNBSSA-N 0 1 332.360 2.501 20 5 EFBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000593289551 479278215 /nfs/dbraw/zinc/27/82/15/479278215.db2.gz YDUMJWZEODYZHR-JKSUJKDBSA-N 0 1 342.351 2.601 20 5 EFBDMN O=C([O-])[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000593289551 479278220 /nfs/dbraw/zinc/27/82/20/479278220.db2.gz YDUMJWZEODYZHR-JKSUJKDBSA-N 0 1 342.351 2.601 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000593290505 479278445 /nfs/dbraw/zinc/27/84/45/479278445.db2.gz KQLCNMFQBAMEKC-CYBMUJFWSA-N 0 1 349.387 2.561 20 5 EFBDMN CCN1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000611092235 479281187 /nfs/dbraw/zinc/28/11/87/479281187.db2.gz MDKVQBIJHKJHDQ-STQMWFEESA-N 0 1 345.403 2.732 20 5 EFBDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000611162704 479298233 /nfs/dbraw/zinc/29/82/33/479298233.db2.gz IPESQZRHBALUNL-UHFFFAOYSA-N 0 1 342.277 2.618 20 5 EFBDMN Cc1cc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596458310 479302697 /nfs/dbraw/zinc/30/26/97/479302697.db2.gz HLARQHLLHHKJKI-DOMZBBRYSA-N 0 1 340.383 2.556 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1C(F)(F)F ZINC000602388823 479308010 /nfs/dbraw/zinc/30/80/10/479308010.db2.gz DRJOTEDEDIQGTE-JTQLQIEISA-N 0 1 328.250 2.638 20 5 EFBDMN O=[N+]([O-])c1cccc(CN(Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000585718789 479315423 /nfs/dbraw/zinc/31/54/23/479315423.db2.gz YEVRJYFVIRVFOH-IBGZPJMESA-N 0 1 342.395 2.748 20 5 EFBDMN CCO[C@@H]1C[C@H](O)C12CCN(C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000611273849 479334263 /nfs/dbraw/zinc/33/42/63/479334263.db2.gz OMUHAOHWQGJOSU-QGNVGDHZSA-N 0 1 346.427 2.860 20 5 EFBDMN COC(=O)[C@H](C)CN(C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602446531 479336390 /nfs/dbraw/zinc/33/63/90/479336390.db2.gz FXIZTFJRZJGHMC-SECBINFHSA-N 0 1 334.294 2.855 20 5 EFBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC1(C)COC1 ZINC000599571939 479337480 /nfs/dbraw/zinc/33/74/80/479337480.db2.gz XSEWESFIMWZACD-JTQLQIEISA-N 0 1 341.795 2.544 20 5 EFBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCN1Cc1ccccc1 ZINC000596559421 479338818 /nfs/dbraw/zinc/33/88/18/479338818.db2.gz YGMPPLQABKBYMF-HNNXBMFYSA-N 0 1 329.404 2.806 20 5 EFBDMN CCc1nn(C)c(NC[C@H]2CCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596559587 479338977 /nfs/dbraw/zinc/33/89/77/479338977.db2.gz ZMTHWTRYGHMPBN-CQSZACIVSA-N 0 1 329.404 2.577 20 5 EFBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000574768210 479346634 /nfs/dbraw/zinc/34/66/34/479346634.db2.gz IOHWTELLEAUIAB-ZDUSSCGKSA-N 0 1 330.388 2.934 20 5 EFBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000574768209 479346811 /nfs/dbraw/zinc/34/68/11/479346811.db2.gz IOHWTELLEAUIAB-CYBMUJFWSA-N 0 1 330.388 2.934 20 5 EFBDMN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000586773243 479349073 /nfs/dbraw/zinc/34/90/73/479349073.db2.gz IOXCIXNHRPZLCW-HNNXBMFYSA-N 0 1 328.368 2.909 20 5 EFBDMN O=C(CN1CCC2(CCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000586783288 479352683 /nfs/dbraw/zinc/35/26/83/479352683.db2.gz ZLWWWDPHMKRSPA-UHFFFAOYSA-N 0 1 329.400 2.750 20 5 EFBDMN Cc1nc(N2CCN(C)C[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000593505995 479369161 /nfs/dbraw/zinc/36/91/61/479369161.db2.gz ZULBSUQLPAAOON-MRXNPFEDSA-N 0 1 326.400 2.661 20 5 EFBDMN Cc1noc(C)c1[C@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611409151 479370952 /nfs/dbraw/zinc/37/09/52/479370952.db2.gz UXOMFSIBOBLCLB-JTQLQIEISA-N 0 1 332.360 2.879 20 5 EFBDMN CCCNC(=O)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602517406 479377343 /nfs/dbraw/zinc/37/73/43/479377343.db2.gz BAQIEHUUOFABFM-UHFFFAOYSA-N 0 1 333.310 2.620 20 5 EFBDMN C[C@H](CN1CCN(C)CC1)Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000587972460 479377884 /nfs/dbraw/zinc/37/78/84/479377884.db2.gz IYEORNPUTJMISG-SNVBAGLBSA-N 0 1 347.246 2.949 20 5 EFBDMN C[C@@H](CN1CCCC1=O)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602518104 479379536 /nfs/dbraw/zinc/37/95/36/479379536.db2.gz NNOKEPZXMJAFKN-JTQLQIEISA-N 0 1 345.321 2.714 20 5 EFBDMN CC(C)(C)C(=O)NCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602542963 479389732 /nfs/dbraw/zinc/38/97/32/479389732.db2.gz BXCCDTSDTIECQG-UHFFFAOYSA-N 0 1 347.337 2.866 20 5 EFBDMN O=[N+]([O-])c1sc(CNCCOCC2CC2)cc1Br ZINC000602546010 479390780 /nfs/dbraw/zinc/39/07/80/479390780.db2.gz AOANQQFQURPBOD-UHFFFAOYSA-N 0 1 335.223 2.935 20 5 EFBDMN COC[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602573011 479403464 /nfs/dbraw/zinc/40/34/64/479403464.db2.gz WGVBZZYCVLAVSS-JTQLQIEISA-N 0 1 335.223 2.933 20 5 EFBDMN COCC1(C)CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611530858 479407104 /nfs/dbraw/zinc/40/71/04/479407104.db2.gz SBMSPFDIPFMHQO-UHFFFAOYSA-N 0 1 336.388 2.615 20 5 EFBDMN Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])on1 ZINC000593740542 479442350 /nfs/dbraw/zinc/44/23/50/479442350.db2.gz OPFJWRXJQVMWQQ-CQSZACIVSA-N 0 1 331.328 2.927 20 5 EFBDMN Cc1cc([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])on1 ZINC000593740542 479442354 /nfs/dbraw/zinc/44/23/54/479442354.db2.gz OPFJWRXJQVMWQQ-CQSZACIVSA-N 0 1 331.328 2.927 20 5 EFBDMN O=C([O-])CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CC1 ZINC000593744979 479443623 /nfs/dbraw/zinc/44/36/23/479443623.db2.gz VVNZMDUFBDALNK-UHFFFAOYSA-N 0 1 345.355 2.937 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000593747883 479444424 /nfs/dbraw/zinc/44/44/24/479444424.db2.gz FAOBXSHCYXZEKF-SWLSCSKDSA-N 0 1 336.388 2.925 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000593747882 479444563 /nfs/dbraw/zinc/44/45/63/479444563.db2.gz FAOBXSHCYXZEKF-IUODEOHRSA-N 0 1 336.388 2.925 20 5 EFBDMN O=C1Nc2ccccc2[C@]12CCN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000614584050 479449902 /nfs/dbraw/zinc/44/99/02/479449902.db2.gz VBXQWRCPGFJUSN-GOSISDBHSA-N 0 1 341.342 2.830 20 5 EFBDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602665691 479460699 /nfs/dbraw/zinc/46/06/99/479460699.db2.gz XRJHEHVKLKGFQN-CPTIBSQESA-N 0 1 329.356 2.591 20 5 EFBDMN CCC[N@H+]1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000596882365 479470772 /nfs/dbraw/zinc/47/07/72/479470772.db2.gz QKZXUFOGMYVJNV-HNNXBMFYSA-N 0 1 346.431 2.753 20 5 EFBDMN CN(C)C(=O)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602689390 479476463 /nfs/dbraw/zinc/47/64/63/479476463.db2.gz GQSIMYHRMYUUNF-LLVKDONJSA-N 0 1 345.321 2.524 20 5 EFBDMN CN(C)C(=O)[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602689391 479476490 /nfs/dbraw/zinc/47/64/90/479476490.db2.gz GQSIMYHRMYUUNF-NSHDSACASA-N 0 1 345.321 2.524 20 5 EFBDMN C[C@@H](O)CN1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000589113530 479479992 /nfs/dbraw/zinc/47/99/92/479479992.db2.gz DEPPVEXJIIFCQG-WDEREUQCSA-N 0 1 347.337 2.505 20 5 EFBDMN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2nc[nH]c2C1 ZINC000599953386 479480278 /nfs/dbraw/zinc/48/02/78/479480278.db2.gz YCTYMQDPBYJINY-UHFFFAOYSA-N 0 1 340.261 2.535 20 5 EFBDMN C[C@@H](Cc1ccsc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000604200122 479485313 /nfs/dbraw/zinc/48/53/13/479485313.db2.gz BVHQDMAWKOLDJP-VIFPVBQESA-N 0 1 330.369 2.894 20 5 EFBDMN C[S@](=O)[C@H]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602704600 479488454 /nfs/dbraw/zinc/48/84/54/479488454.db2.gz AXYGJJRRXAZZGP-YHBNFXLMSA-N 0 1 337.401 2.515 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000589162629 479489618 /nfs/dbraw/zinc/48/96/18/479489618.db2.gz QOPCUDUSFUJPDQ-STQMWFEESA-N 0 1 336.310 2.641 20 5 EFBDMN Cc1cc([C@@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)on1 ZINC000604240180 479491833 /nfs/dbraw/zinc/49/18/33/479491833.db2.gz QVKNIGWAKKZJNK-ZDUSSCGKSA-N 0 1 341.327 2.745 20 5 EFBDMN COC(=O)[C@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602719784 479502803 /nfs/dbraw/zinc/50/28/03/479502803.db2.gz TYSBIMBTDIDGAI-JGZJWPJOSA-N 0 1 332.278 2.655 20 5 EFBDMN Cc1ccncc1[C@@H](C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000611938369 479527179 /nfs/dbraw/zinc/52/71/79/479527179.db2.gz DLRRBUMGPYGWQP-CYBMUJFWSA-N 0 1 328.372 2.896 20 5 EFBDMN Cc1ccncc1[C@H](C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000611938370 479527933 /nfs/dbraw/zinc/52/79/33/479527933.db2.gz DLRRBUMGPYGWQP-ZDUSSCGKSA-N 0 1 328.372 2.896 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCSC[C@H]3CO)o2)cc1 ZINC000602750463 479529038 /nfs/dbraw/zinc/52/90/38/479529038.db2.gz HVBSWSPGMWUNMZ-CQSZACIVSA-N 0 1 334.397 2.765 20 5 EFBDMN COc1ccccc1CN(CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602766702 479537138 /nfs/dbraw/zinc/53/71/38/479537138.db2.gz RNNPFMDPMLODTB-UHFFFAOYSA-N 0 1 330.388 2.773 20 5 EFBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCS[C@@H](c2ccccc2)C1 ZINC000602782256 479548535 /nfs/dbraw/zinc/54/85/35/479548535.db2.gz PBJRUHZQPWAVLF-OAHLLOKOSA-N 0 1 332.429 2.890 20 5 EFBDMN CCOC(=O)CCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000594053727 479569774 /nfs/dbraw/zinc/56/97/74/479569774.db2.gz PDJPEDIHZRGLTD-UHFFFAOYSA-N 0 1 342.367 2.906 20 5 EFBDMN COC(=O)COc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000597158216 479598351 /nfs/dbraw/zinc/59/83/51/479598351.db2.gz ARZCWFWDZRFRAW-KBPBESRZSA-N 0 1 334.372 2.521 20 5 EFBDMN O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594195111 479625309 /nfs/dbraw/zinc/62/53/09/479625309.db2.gz CCGQMLURLYMMEX-BSDSXHPESA-N 0 1 343.427 2.831 20 5 EFBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(Oc2cccc(F)c2)CC1 ZINC000602915119 479628822 /nfs/dbraw/zinc/62/88/22/479628822.db2.gz GPIIGZCFHLRSFY-UHFFFAOYSA-N 0 1 348.378 2.782 20 5 EFBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000590400509 479639818 /nfs/dbraw/zinc/63/98/18/479639818.db2.gz XBVFIYDBTCBNOM-UHFFFAOYSA-N 0 1 338.323 2.872 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000578995277 479645054 /nfs/dbraw/zinc/64/50/54/479645054.db2.gz HDQDWWCHTACAQJ-MRXNPFEDSA-N 0 1 344.367 2.731 20 5 EFBDMN CC(C)(NC(=O)c1[nH]nc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000590455625 479650347 /nfs/dbraw/zinc/65/03/47/479650347.db2.gz VSCYRQJNFFFSAX-UHFFFAOYSA-N 0 1 328.372 2.862 20 5 EFBDMN Cc1cc(C2CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)[nH]n1 ZINC000612450083 479674706 /nfs/dbraw/zinc/67/47/06/479674706.db2.gz YBIPWWWNGABXBL-UHFFFAOYSA-N 0 1 338.371 2.954 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000615833465 479765182 /nfs/dbraw/zinc/76/51/82/479765182.db2.gz LTIVCUKXYGKSFA-BAILOTOSSA-N 0 1 345.443 2.795 20 5 EFBDMN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCOC1 ZINC000609631730 480192142 /nfs/dbraw/zinc/19/21/42/480192142.db2.gz RTBGDFGOVQKASK-LBPRGKRZSA-N 0 1 332.360 2.503 20 5 EFBDMN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000610204742 480250677 /nfs/dbraw/zinc/25/06/77/480250677.db2.gz AHDZPEYCYSROEF-MAUKXSAKSA-N 0 1 336.351 2.931 20 5 EFBDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000610436392 480306169 /nfs/dbraw/zinc/30/61/69/480306169.db2.gz GWUSTRYKCQFCSI-UHFFFAOYSA-N 0 1 328.250 2.575 20 5 EFBDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000610436044 480306191 /nfs/dbraw/zinc/30/61/91/480306191.db2.gz AWYFSQRVRBIHQY-UHFFFAOYSA-N 0 1 328.250 2.575 20 5 EFBDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000610437804 480306373 /nfs/dbraw/zinc/30/63/73/480306373.db2.gz ZFEQCMJXOSDPGC-UHFFFAOYSA-N 0 1 342.277 2.618 20 5 EFBDMN COc1cc(CN(C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000181095195 533785209 /nfs/dbraw/zinc/78/52/09/533785209.db2.gz FWDKUVMEGMRYRC-WFASDCNBSA-N 0 1 338.404 2.595 20 5 EFBDMN COc1cc(CN(C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000184329511 533788639 /nfs/dbraw/zinc/78/86/39/533788639.db2.gz WLHPJGWYTOQSNK-ABAIWWIYSA-N 0 1 326.368 2.725 20 5 EFBDMN COc1cc(CNCc2ccc(C(C)(C)O)cc2)c([N+](=O)[O-])cc1O ZINC000187508861 533887925 /nfs/dbraw/zinc/88/79/25/533887925.db2.gz SLXMLBSPWSBRMG-UHFFFAOYSA-N 0 1 346.383 2.826 20 5 EFBDMN Cc1ccc(CN2CC[C@H](NCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000191798205 533953115 /nfs/dbraw/zinc/95/31/15/533953115.db2.gz OGMWMWPNESCSQI-SFHVURJKSA-N 0 1 339.395 2.794 20 5 EFBDMN Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000178679922 533985813 /nfs/dbraw/zinc/98/58/13/533985813.db2.gz ZHGZUDWRPBMICK-RYUDHWBXSA-N 0 1 332.360 2.877 20 5 EFBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(O)c1 ZINC000181559581 533989034 /nfs/dbraw/zinc/98/90/34/533989034.db2.gz WSXRQLPIPHFBNS-YVEFUNNKSA-N 0 1 341.367 2.757 20 5 EFBDMN COc1ccc(NC(=O)CN2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177570359 534079557 /nfs/dbraw/zinc/07/95/57/534079557.db2.gz JBJPGXFYEBQUKM-BETUJISGSA-N 0 1 333.388 2.664 20 5 EFBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC=C(c2ccc(F)cc2)CC1 ZINC000131003420 534321376 /nfs/dbraw/zinc/32/13/76/534321376.db2.gz YWXMMSWUFNVBBZ-UHFFFAOYSA-N 0 1 343.358 2.685 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ncc(CC)s2)c1[N+](=O)[O-] ZINC000083010383 521324022 /nfs/dbraw/zinc/32/40/22/521324022.db2.gz MLRWFYRSKNLLPS-UHFFFAOYSA-N 0 1 337.405 2.562 20 5 EFBDMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000140773572 521700401 /nfs/dbraw/zinc/70/04/01/521700401.db2.gz NWAXLYWEUTZZCF-JKSUJKDBSA-N 0 1 349.431 2.719 20 5 EFBDMN COc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OC ZINC000121223109 522375664 /nfs/dbraw/zinc/37/56/64/522375664.db2.gz IKVWCDYKZNPBQY-GFCCVEGCSA-N 0 1 346.387 2.715 20 5 EFBDMN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364883831 534678477 /nfs/dbraw/zinc/67/84/77/534678477.db2.gz VWXAUYLNLDNAEB-CQSZACIVSA-N 0 1 343.387 2.656 20 5 EFBDMN COCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000055595167 523127831 /nfs/dbraw/zinc/12/78/31/523127831.db2.gz UTFOMWLZCFYGAJ-UHFFFAOYSA-N 0 1 336.369 2.850 20 5 EFBDMN CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356367185 534759283 /nfs/dbraw/zinc/75/92/83/534759283.db2.gz SUUJYNVGTAHLAL-JTQLQIEISA-N 0 1 343.339 2.750 20 5 EFBDMN Cc1csc(=O)n1CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153246449 534771508 /nfs/dbraw/zinc/77/15/08/534771508.db2.gz CSAKIBSHFNTHID-UHFFFAOYSA-N 0 1 333.413 2.791 20 5 EFBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000193115659 524583800 /nfs/dbraw/zinc/58/38/00/524583800.db2.gz UHZHMILIGRPELY-VXGBXAGGSA-N 0 1 344.371 2.676 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCC1CCOCC1 ZINC000120550750 524907024 /nfs/dbraw/zinc/90/70/24/524907024.db2.gz FQABKOGIVXBROX-UHFFFAOYSA-N 0 1 335.404 2.590 20 5 EFBDMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC000179391996 525082398 /nfs/dbraw/zinc/08/23/98/525082398.db2.gz IOTJQTVFYGCPGT-UHFFFAOYSA-N 0 1 340.332 2.852 20 5 EFBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CC=CC2)C1 ZINC000174465793 534838314 /nfs/dbraw/zinc/83/83/14/534838314.db2.gz RHNZIZIHBWZEQO-LBPRGKRZSA-N 0 1 336.779 2.726 20 5 EFBDMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000063758685 525379417 /nfs/dbraw/zinc/37/94/17/525379417.db2.gz HJEACPDVCKYCEI-OKILXGFUSA-N 0 1 349.431 2.788 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(C(F)(F)F)s2)c1 ZINC000067545506 525448557 /nfs/dbraw/zinc/44/85/57/525448557.db2.gz NAFNUGNSUGDDCU-UHFFFAOYSA-N 0 1 348.262 2.726 20 5 EFBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccncc2)cc1[N+](=O)[O-] ZINC000072700485 525748266 /nfs/dbraw/zinc/74/82/66/525748266.db2.gz NABRGSCARQCFTF-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000192608753 525851521 /nfs/dbraw/zinc/85/15/21/525851521.db2.gz OIELXAWLXOISLZ-QWHCGFSZSA-N 0 1 328.372 2.976 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@H]3OCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000155460320 525854710 /nfs/dbraw/zinc/85/47/10/525854710.db2.gz XEJJTLQDEIPKTQ-JJRVBVJISA-N 0 1 347.415 2.731 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000192608794 525855338 /nfs/dbraw/zinc/85/53/38/525855338.db2.gz OIELXAWLXOISLZ-OLZOCXBDSA-N 0 1 328.372 2.976 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000081804323 526073938 /nfs/dbraw/zinc/07/39/38/526073938.db2.gz IUJHJPPOXPESPQ-UHFFFAOYSA-N 0 1 328.303 2.849 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCC1CCOCC1 ZINC000120467891 526078931 /nfs/dbraw/zinc/07/89/31/526078931.db2.gz OUTQSAMCGSUYNA-UHFFFAOYSA-N 0 1 335.404 2.590 20 5 EFBDMN Cc1ccc2c(c1)[C@H](NC(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)CO2 ZINC000156222745 526208822 /nfs/dbraw/zinc/20/88/22/526208822.db2.gz CPGSEPPHPTZGKQ-CQSZACIVSA-N 0 1 338.323 2.643 20 5 EFBDMN Cc1cc(C(=O)NCCN(C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000177077811 526267041 /nfs/dbraw/zinc/26/70/41/526267041.db2.gz XYUKYFRDLHNQBR-UHFFFAOYSA-N 0 1 345.374 2.904 20 5 EFBDMN O=C(CCN1CCOC2(CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000139765878 526490100 /nfs/dbraw/zinc/49/01/00/526490100.db2.gz VZPGJMKOKAZGRW-UHFFFAOYSA-N 0 1 333.388 2.568 20 5 EFBDMN O=C(NCc1ccc2ncccc2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000194918152 526705559 /nfs/dbraw/zinc/70/55/59/526705559.db2.gz SFIXZPUNIZQLQT-UHFFFAOYSA-N 0 1 347.334 2.949 20 5 EFBDMN CC(C)(NC(=O)c1ccc2[nH]nnc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000175149355 527285663 /nfs/dbraw/zinc/28/56/63/527285663.db2.gz HOGZBKUIJQHNRK-UHFFFAOYSA-N 0 1 325.328 2.531 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@]4(CCOC4)C3)co2)cc1 ZINC000089909466 527342242 /nfs/dbraw/zinc/34/22/42/527342242.db2.gz JRONIUIOXBOYQY-KRWDZBQOSA-N 0 1 329.356 2.862 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]4OCCC[C@@H]4C3)n2)c1 ZINC000152764444 527382791 /nfs/dbraw/zinc/38/27/91/527382791.db2.gz MWQAYZGNDYWNML-UKRRQHHQSA-N 0 1 344.371 2.646 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCSc2nc(-c3ccccn3)n[nH]2)c1 ZINC000117115659 527390566 /nfs/dbraw/zinc/39/05/66/527390566.db2.gz NQNZPLHWQUBYLA-UHFFFAOYSA-N 0 1 343.368 2.946 20 5 EFBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@H](Oc3cccc(Cl)c3)C2)c1 ZINC000120160466 527413799 /nfs/dbraw/zinc/41/37/99/527413799.db2.gz AVHCGXRZWFDJKV-OAHLLOKOSA-N 0 1 336.779 2.598 20 5 EFBDMN CCO[C@H]1C[C@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000154836400 528130341 /nfs/dbraw/zinc/13/03/41/528130341.db2.gz JQFWVEYLFDALMN-KBPBESRZSA-N 0 1 346.387 2.747 20 5 EFBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000343959959 535257868 /nfs/dbraw/zinc/25/78/68/535257868.db2.gz RQCVRDAARDUDQF-JTQLQIEISA-N 0 1 349.416 2.952 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000412232702 535380464 /nfs/dbraw/zinc/38/04/64/535380464.db2.gz NYBPZYZCVAQSCJ-DDTOSNHZSA-N 0 1 343.387 2.817 20 5 EFBDMN CCN(C)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266120822 535760490 /nfs/dbraw/zinc/76/04/90/535760490.db2.gz IVAMMWWHWFLUMD-GOSISDBHSA-N 0 1 341.411 2.947 20 5 EFBDMN CC[C@H](O)[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266000061 535997950 /nfs/dbraw/zinc/99/79/50/535997950.db2.gz IXIUTUYNRVNCPC-GJZGRUSLSA-N 0 1 346.387 2.770 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC(n3c(C)ccc3C)CC2)c1[N+](=O)[O-] ZINC000264080369 535999826 /nfs/dbraw/zinc/99/98/26/535999826.db2.gz DHRDSQUOMDOVJR-UHFFFAOYSA-N 0 1 345.403 2.776 20 5 EFBDMN CNC(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC000355663979 536433141 /nfs/dbraw/zinc/43/31/41/536433141.db2.gz VFAGHRMNVDBKIU-UHFFFAOYSA-N 0 1 349.730 2.566 20 5 EFBDMN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356784254 536555815 /nfs/dbraw/zinc/55/58/15/536555815.db2.gz PQARVMJWQLEGPR-QLJPJBMISA-N 0 1 348.330 2.946 20 5 EFBDMN COC[C@@H]1CCCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342562368 536743215 /nfs/dbraw/zinc/74/32/15/536743215.db2.gz BZCMZAJSCQPYKI-LSDHHAIUSA-N 0 1 349.431 2.979 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000347441879 536951359 /nfs/dbraw/zinc/95/13/59/536951359.db2.gz QZNBCPSDRWMEEI-UHFFFAOYSA-N 0 1 346.387 2.896 20 5 EFBDMN O=[N+]([O-])c1cccc2ncnc(NCc3n[nH]c(-c4ccccc4)n3)c21 ZINC000754024049 575376954 /nfs/dbraw/zinc/37/69/54/575376954.db2.gz HTNMONSSVZJWTI-UHFFFAOYSA-N 0 1 347.338 2.935 20 5 EFBDMN O=[N+]([O-])c1cccc2ncnc(NCc3nc(-c4ccccc4)n[nH]3)c21 ZINC000754024049 575376958 /nfs/dbraw/zinc/37/69/58/575376958.db2.gz HTNMONSSVZJWTI-UHFFFAOYSA-N 0 1 347.338 2.935 20 5 EFBDMN COC(=O)C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000754529543 575447883 /nfs/dbraw/zinc/44/78/83/575447883.db2.gz XZJSZTDBVJVURT-HNNXBMFYSA-N 0 1 345.355 2.681 20 5 EFBDMN O=C(Cc1[nH]nc2ccccc21)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756995663 575808940 /nfs/dbraw/zinc/80/89/40/575808940.db2.gz HLCJYNZJMARUGI-UHFFFAOYSA-N 0 1 344.758 2.983 20 5 EFBDMN Cc1cc(F)cc(C(=O)Nc2ccn(-c3ccncc3)n2)c1[N+](=O)[O-] ZINC000758488411 575870817 /nfs/dbraw/zinc/87/08/17/575870817.db2.gz OZVFFJUKTKCMAZ-UHFFFAOYSA-N 0 1 341.302 2.875 20 5 EFBDMN CC[C@@H](CC(F)(F)F)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000760617763 576054314 /nfs/dbraw/zinc/05/43/14/576054314.db2.gz JXJKYMHUKVIYFH-ZETCQYMHSA-N 0 1 344.286 2.743 20 5 EFBDMN Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)(F)F ZINC000761541073 576176743 /nfs/dbraw/zinc/17/67/43/576176743.db2.gz YEWMJSXALNRFDR-LLVKDONJSA-N 0 1 346.265 2.734 20 5 EFBDMN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000763418317 576376644 /nfs/dbraw/zinc/37/66/44/576376644.db2.gz DLLRSGINURERDC-NSHDSACASA-N 0 1 341.367 2.670 20 5 EFBDMN CCN(CCc1ccccn1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000764315978 576448092 /nfs/dbraw/zinc/44/80/92/576448092.db2.gz SAVBVEOKUROBPA-CQSZACIVSA-N 0 1 342.399 2.881 20 5 EFBDMN Cc1c(CONC(=N)[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000764573759 576473788 /nfs/dbraw/zinc/47/37/88/576473788.db2.gz FSNNRTKVKNPLSA-MRXNPFEDSA-N 0 1 343.339 2.742 20 5 EFBDMN Cc1nn(CN2CCC(n3ccnc3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765012291 576536358 /nfs/dbraw/zinc/53/63/58/576536358.db2.gz FPTAGPAZBSHXEZ-UHFFFAOYSA-N 0 1 340.387 2.744 20 5 EFBDMN O=Cc1[nH]nc2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3F)ccc12 ZINC000766183065 577118270 /nfs/dbraw/zinc/11/82/70/577118270.db2.gz CPEMUWLJZUGJTL-UHFFFAOYSA-N 0 1 343.270 2.780 20 5 EFBDMN CCC[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CCN1CCOC ZINC000766429602 577149247 /nfs/dbraw/zinc/14/92/47/577149247.db2.gz OECXYUUUYCFARH-CYBMUJFWSA-N 0 1 325.384 2.671 20 5 EFBDMN COc1cc(NC[C@H](c2ccco2)N(C)C)c([N+](=O)[O-])cc1OC ZINC000766928182 577188436 /nfs/dbraw/zinc/18/84/36/577188436.db2.gz RSLLMIMQBVFFEA-CYBMUJFWSA-N 0 1 335.360 2.920 20 5 EFBDMN COc1cc(C(=O)Nc2nc(-c3cccs3)n[nH]2)ccc1[N+](=O)[O-] ZINC000725885685 577269705 /nfs/dbraw/zinc/26/97/05/577269705.db2.gz RIYWTXJNVSXXEP-UHFFFAOYSA-N 0 1 345.340 2.702 20 5 EFBDMN CCN1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000769382654 577357304 /nfs/dbraw/zinc/35/73/04/577357304.db2.gz ZVNCUHVLACZSPL-NSHDSACASA-N 0 1 342.237 2.883 20 5 EFBDMN CC(C)c1ccc(CN2CCN(CCCCO)CC2)cc1[N+](=O)[O-] ZINC000769395863 577358512 /nfs/dbraw/zinc/35/85/12/577358512.db2.gz QQHDJYRTGMYSLE-UHFFFAOYSA-N 0 1 335.448 2.608 20 5 EFBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000770188412 577406286 /nfs/dbraw/zinc/40/62/86/577406286.db2.gz ZKXHBNUNXSLSFW-UHFFFAOYSA-N 0 1 345.403 2.611 20 5 EFBDMN Cc1nc(COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000770640281 581120685 /nfs/dbraw/zinc/12/06/85/581120685.db2.gz PLTFBTUGXSOSGK-UHFFFAOYSA-N 0 1 345.340 2.502 20 5 EFBDMN CCC[C@@H](NCCS(=O)(=O)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000773069049 581393391 /nfs/dbraw/zinc/39/33/91/581393391.db2.gz QEQJXTMVYHQFFY-MRXNPFEDSA-N 0 1 340.445 2.850 20 5 EFBDMN COCC1(C)CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000773268226 581412086 /nfs/dbraw/zinc/41/20/86/581412086.db2.gz KGUUGUQUUDKRSJ-UHFFFAOYSA-N 0 1 332.404 2.959 20 5 EFBDMN CC(C)[C@H](CCO)NCc1c(Br)cccc1[N+](=O)[O-] ZINC000742380463 581505813 /nfs/dbraw/zinc/50/58/13/581505813.db2.gz MOYBRUXDGAAOJV-LBPRGKRZSA-N 0 1 331.210 2.854 20 5 EFBDMN O=C([O-])/C=C\c1ccc(N[C@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000739623439 599855323 /nfs/dbraw/zinc/85/53/23/599855323.db2.gz FJHJKXXNCNUQQD-SDQPKGBYSA-N 0 1 331.372 2.589 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736729199 600138323 /nfs/dbraw/zinc/13/83/23/600138323.db2.gz XUALNFVKGURLJC-CMPLNLGQSA-N 0 1 346.343 2.502 20 5 EFBDMN C[NH+](C)[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000737362403 600190093 /nfs/dbraw/zinc/19/00/93/600190093.db2.gz WDWZYGHXZNTBLF-HNNXBMFYSA-N 0 1 343.339 2.534 20 5 EFBDMN C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737450316 600215029 /nfs/dbraw/zinc/21/50/29/600215029.db2.gz ZUAVSTZVXMABRC-INIZCTEOSA-N 0 1 330.340 2.731 20 5 EFBDMN Cc1cccc(NCCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[nH+]1 ZINC000738736438 600390075 /nfs/dbraw/zinc/39/00/75/600390075.db2.gz MDGLGBFFGHIFHK-VURMDHGXSA-N 0 1 342.355 2.920 20 5 EFBDMN O=C([O-])CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000833233415 601114999 /nfs/dbraw/zinc/11/49/99/601114999.db2.gz YNRKJZCDZXSDKY-CYBMUJFWSA-N 0 1 342.779 2.704 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000827966202 601919372 /nfs/dbraw/zinc/91/93/72/601919372.db2.gz NHTHUXGFJVFRDX-MGPLVRAMSA-N 0 1 346.343 2.502 20 5 EFBDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000828432999 601937112 /nfs/dbraw/zinc/93/71/12/601937112.db2.gz QCVXLXFAJHWJHS-AWMRPNINSA-N 0 1 331.372 2.587 20 5 EFBDMN O=C([O-])c1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000833306595 602252450 /nfs/dbraw/zinc/25/24/50/602252450.db2.gz CZOYMBUSHZUIFI-UWVGGRQHSA-N 0 1 339.779 2.985 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000832905048 602339874 /nfs/dbraw/zinc/33/98/74/602339874.db2.gz AZUUVZUSQQPZJE-UHFFFAOYSA-N 0 1 349.387 2.561 20 5 EFBDMN CC[N@@H+](C)C[C@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829612996 604269374 /nfs/dbraw/zinc/26/93/74/604269374.db2.gz FZNIXNDDGSVKEV-SNVBAGLBSA-N 0 1 341.795 2.724 20 5 EFBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000833553576 604675023 /nfs/dbraw/zinc/67/50/23/604675023.db2.gz FPHAGEWRJAFIPX-ZDUSSCGKSA-N 0 1 343.177 2.654 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCNC(=O)OC(C)(C)C ZINC000850430725 1250482531 /nfs/dbraw/zinc/48/25/31/1250482531.db2.gz UDVSIKANEGGXEV-LLVKDONJSA-N 0 1 339.392 2.779 20 5 EFBDMN COc1cccc([C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000850433463 1250484432 /nfs/dbraw/zinc/48/44/32/1250484432.db2.gz JQQVLZFZVFEDQD-SJCJKPOMSA-N 0 1 346.383 2.996 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1COc2ccccc2[C@H]1O ZINC000850468508 1250495988 /nfs/dbraw/zinc/49/59/88/1250495988.db2.gz HYMFDEXNXYOTHT-GEWABHDNSA-N 0 1 344.367 2.749 20 5 EFBDMN O=C(Cc1ccccc1[N+](=O)[O-])OC[C@H]1CCN1Cc1ccccc1 ZINC000851465534 1251021827 /nfs/dbraw/zinc/02/18/27/1251021827.db2.gz JINBAXMZMIRKGU-QGZVFWFLSA-N 0 1 340.379 2.955 20 5 EFBDMN Cc1c[nH]cc1C(=O)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001004135933 1266015118 /nfs/dbraw/zinc/01/51/18/1266015118.db2.gz HPFVHUSDQMIHKY-UHFFFAOYSA-N 0 1 342.399 2.626 20 5 EFBDMN COCCN(C)c1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000922538624 1266219455 /nfs/dbraw/zinc/21/94/55/1266219455.db2.gz SUELRHIJQIHZIR-CQSZACIVSA-N 0 1 344.415 2.923 20 5 EFBDMN CN(CCN1CCCC1)C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001165140176 1263279140 /nfs/dbraw/zinc/27/91/40/1263279140.db2.gz IUDVMRFPEPQPEL-UHFFFAOYSA-N 0 1 334.754 2.720 20 5 EFBDMN Cc1cc(C)c(C(=O)NCCNCc2csc([N+](=O)[O-])c2)s1 ZINC001128290402 1264156211 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CCN(CC)C(=O)c1cccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000744195174 1270922774 /nfs/dbraw/zinc/92/27/74/1270922774.db2.gz DXYVFAPZPNMVKD-UHFFFAOYSA-N 0 1 331.328 2.624 20 5 EFBDMN O=[N+]([O-])C[C@H]1CC[C@H](N(Cc2ccccn2)Cc2ccccn2)C1 ZINC001169009749 1272582689 /nfs/dbraw/zinc/58/26/89/1272582689.db2.gz XXTTZGYNZDEUPL-YJBOKZPZSA-N 0 1 326.400 2.924 20 5 EFBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N(Cc2ccccn2)Cc2ccccn2)C1 ZINC001169009746 1272583611 /nfs/dbraw/zinc/58/36/11/1272583611.db2.gz XXTTZGYNZDEUPL-CRAIPNDOSA-N 0 1 326.400 2.924 20 5 EFBDMN CC(C)(C)OC(=O)N1CCCC12CN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169011035 1272585692 /nfs/dbraw/zinc/58/56/92/1272585692.db2.gz HMKABMACXWTCIO-KBPBESRZSA-N 0 1 339.436 2.517 20 5 EFBDMN COc1ccc2c(c1)c1c(n2C)CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169035722 1272598813 /nfs/dbraw/zinc/59/88/13/1272598813.db2.gz LMDKPAVMFTZGNY-KBPBESRZSA-N 0 1 343.427 2.990 20 5 EFBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC001169038331 1272605849 /nfs/dbraw/zinc/60/58/49/1272605849.db2.gz YDDUQFGHYPFUED-MFKMUULPSA-N 0 1 329.322 2.904 20 5 EFBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)nc1 ZINC000103202237 1272905861 /nfs/dbraw/zinc/90/58/61/1272905861.db2.gz HXHKUPVABWNDMN-UHFFFAOYSA-N 0 1 344.718 2.681 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc2cncn2c1 ZINC000792551465 1278844658 /nfs/dbraw/zinc/84/46/58/1278844658.db2.gz MSSCDOLXYCIMOE-UHFFFAOYSA-N 0 1 327.296 2.608 20 5 EFBDMN CCc1cc(C(=O)N(C)CCCNc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC001109369960 1274199360 /nfs/dbraw/zinc/19/93/60/1274199360.db2.gz PQUNMUIKXAVARC-UHFFFAOYSA-N 0 1 345.403 2.763 20 5 EFBDMN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780652730 1274518368 /nfs/dbraw/zinc/51/83/68/1274518368.db2.gz QHLPPAMPFNXLQS-MGPLVRAMSA-N 0 1 348.330 2.682 20 5 EFBDMN O=C(COC(=O)c1cccc2[nH]ncc21)c1cccc([N+](=O)[O-])c1 ZINC000785588608 1275121246 /nfs/dbraw/zinc/12/12/46/1275121246.db2.gz WKNQCLTUQXHHTK-UHFFFAOYSA-N 0 1 325.280 2.511 20 5 EFBDMN COc1ccc(COC(=O)c2cccc3[nH]ncc32)cc1[N+](=O)[O-] ZINC000785592869 1275124428 /nfs/dbraw/zinc/12/44/28/1275124428.db2.gz TVYORMXFUJXMKM-UHFFFAOYSA-N 0 1 327.296 2.837 20 5 EFBDMN COCC1(N(C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000707155732 1275340836 /nfs/dbraw/zinc/34/08/36/1275340836.db2.gz OVGWZPKHZFWVOO-UHFFFAOYSA-N 0 1 329.194 2.968 20 5 EFBDMN COCCc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000786099849 1275296496 /nfs/dbraw/zinc/29/64/96/1275296496.db2.gz REAYEVSVWQSQNQ-UHFFFAOYSA-N 0 1 342.398 2.646 20 5 EFBDMN Cc1ccccc1CN1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000786573778 1275446949 /nfs/dbraw/zinc/44/69/49/1275446949.db2.gz FRVWQSRTXAPPEY-UHFFFAOYSA-N 0 1 326.400 2.808 20 5 EFBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC000786833766 1275537164 /nfs/dbraw/zinc/53/71/64/1275537164.db2.gz LUNLRFJYVNKESB-CYBMUJFWSA-N 0 1 340.383 2.975 20 5 EFBDMN COc1ccc(C[C@H](C)NCc2nccnc2Cl)c([N+](=O)[O-])c1 ZINC001170298193 1278980669 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20 5 EFBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000820875148 1277355455 /nfs/dbraw/zinc/35/54/55/1277355455.db2.gz XFTWDBNHCDFMIO-LBPRGKRZSA-N 0 1 349.456 2.873 20 5 EFBDMN COC(=O)c1ccc(OCc2cc(O)ccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000821069116 1277426502 /nfs/dbraw/zinc/42/65/02/1277426502.db2.gz AMUVQGHHLYIFEI-UHFFFAOYSA-N 0 1 348.267 2.574 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)nc2)c(F)cc1[N+](=O)[O-] ZINC000821140223 1277456068 /nfs/dbraw/zinc/45/60/68/1277456068.db2.gz QTAPYFJTYMTTBQ-UHFFFAOYSA-N 0 1 345.739 2.892 20 5 EFBDMN C[C@@H]1CCSCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000790482295 1277592561 /nfs/dbraw/zinc/59/25/61/1277592561.db2.gz VSIVMBNDOFGDFC-GFCCVEGCSA-N 0 1 333.417 2.638 20 5 EFBDMN Cc1cc(C(=O)N(C)CC(C)(C)CNc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001113403528 1277748614 /nfs/dbraw/zinc/74/86/14/1277748614.db2.gz PMNQVABTIDTJBK-UHFFFAOYSA-N 0 1 345.403 2.837 20 5 EFBDMN Cc1ncc(C(=O)N(C)CC(C)(C)CNc2ccccc2[N+](=O)[O-])[nH]1 ZINC001113411759 1277760789 /nfs/dbraw/zinc/76/07/89/1277760789.db2.gz MZKCWQWPAYRQFP-UHFFFAOYSA-N 0 1 345.403 2.837 20 5 EFBDMN Cc1c(CNc2ccc(N3CCN(C)CC3)cn2)cccc1[N+](=O)[O-] ZINC000871862425 1287327415 /nfs/dbraw/zinc/32/74/15/1287327415.db2.gz ZFCJZBFMEYDQHS-UHFFFAOYSA-N 0 1 341.415 2.662 20 5 EFBDMN C[C@@H]1[C@H](C)N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000844640716 1279161153 /nfs/dbraw/zinc/16/11/53/1279161153.db2.gz KHYHVJMELBCJSU-AXFHLTTASA-N 0 1 325.796 2.801 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000844640719 1279161233 /nfs/dbraw/zinc/16/12/33/1279161233.db2.gz KHYHVJMELBCJSU-MXWKQRLJSA-N 0 1 325.796 2.801 20 5 EFBDMN C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)CN1C ZINC000844642208 1279162111 /nfs/dbraw/zinc/16/21/11/1279162111.db2.gz HYTYJSLTKCXDSS-AXFHLTTASA-N 0 1 325.796 2.801 20 5 EFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1c1ccncc1 ZINC000845261790 1279545343 /nfs/dbraw/zinc/54/53/43/1279545343.db2.gz PENNBTXGTRWNQO-ZBFHGGJFSA-N 0 1 344.323 2.516 20 5 EFBDMN C[C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000845525104 1279700861 /nfs/dbraw/zinc/70/08/61/1279700861.db2.gz XHHJHNOYDZIPCQ-SNVBAGLBSA-N 0 1 345.802 2.669 20 5 EFBDMN C[C@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000845525103 1279701149 /nfs/dbraw/zinc/70/11/49/1279701149.db2.gz XHHJHNOYDZIPCQ-JTQLQIEISA-N 0 1 345.802 2.669 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CCC(C4CC4)CC3)n2)cc1 ZINC000793630807 1279783835 /nfs/dbraw/zinc/78/38/35/1279783835.db2.gz JWDQRRJXEFRXPR-UHFFFAOYSA-N 0 1 327.388 2.933 20 5 EFBDMN Cc1c(CNCc2cc(Br)nn2C)cccc1[N+](=O)[O-] ZINC000691583955 1287374103 /nfs/dbraw/zinc/37/41/03/1287374103.db2.gz ABEISUOXPMYYFW-UHFFFAOYSA-N 0 1 339.193 2.689 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000846286899 1280098580 /nfs/dbraw/zinc/09/85/80/1280098580.db2.gz IDXDGNQEJBJAPT-QGZVFWFLSA-N 0 1 336.388 2.926 20 5 EFBDMN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872066253 1287417439 /nfs/dbraw/zinc/41/74/39/1287417439.db2.gz LOKNDVXGURGPMJ-GHMZBOCLSA-N 0 1 325.434 2.834 20 5 EFBDMN Cc1noc(C(C)C)c1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001129920675 1280375396 /nfs/dbraw/zinc/37/53/96/1280375396.db2.gz RTGWOZBQBFGKFH-UHFFFAOYSA-N 0 1 346.387 2.534 20 5 EFBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1cscc1Cl ZINC001130003568 1280407885 /nfs/dbraw/zinc/40/78/85/1280407885.db2.gz JTHLUXUTPGHJRE-UHFFFAOYSA-N 0 1 339.804 2.829 20 5 EFBDMN CCS(=O)(=O)CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872078904 1287422425 /nfs/dbraw/zinc/42/24/25/1287422425.db2.gz DTMVNXIJBGLVPG-LLVKDONJSA-N 0 1 346.474 2.792 20 5 EFBDMN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872079344 1287422741 /nfs/dbraw/zinc/42/27/41/1287422741.db2.gz XODZJRGXJMAOKU-ZLKJLUDKSA-N 0 1 326.418 2.771 20 5 EFBDMN CC[C@@H]1C[N@@H+](C)CCCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000846989343 1280678480 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ZINC001210399765 1314326621 /nfs/dbraw/zinc/32/66/21/1314326621.db2.gz ZZUJDEKQUZBHPO-UHFFFAOYSA-N 0 1 349.144 2.984 20 5 EFBDMN CS(=O)(=O)c1cc(F)ccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210398165 1314326750 /nfs/dbraw/zinc/32/67/50/1314326750.db2.gz TUUVTYGFHYKPEI-UHFFFAOYSA-N 0 1 326.305 2.587 20 5 EFBDMN COC(=O)c1c(OC)ccc(OC)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210399026 1314326790 /nfs/dbraw/zinc/32/67/90/1314326790.db2.gz LXAUGTZUZCABGC-UHFFFAOYSA-N 0 1 348.311 2.848 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000901271350 1310018323 /nfs/dbraw/zinc/01/83/23/1310018323.db2.gz MMLVPWKJPPGDJV-NXEZZACHSA-N 0 1 343.786 2.942 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000801602062 1310582909 /nfs/dbraw/zinc/58/29/09/1310582909.db2.gz UZAGAAHOKCIFFI-UHFFFAOYSA-N 0 1 335.404 2.688 20 5 EFBDMN O=C([O-])[C@]1(F)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000901514755 1310593528 /nfs/dbraw/zinc/59/35/28/1310593528.db2.gz 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O=[N+]([O-])c1ccc(O)cc1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001225492627 1311531699 /nfs/dbraw/zinc/53/16/99/1311531699.db2.gz YLZVLCLYYKGPPQ-INIZCTEOSA-N 0 1 344.367 2.580 20 5 EFBDMN Cc1ccc(Nc2ccc(C(=O)N3CCNCC3)cc2)cc1[N+](=O)[O-] ZINC001159529338 1311533806 /nfs/dbraw/zinc/53/38/06/1311533806.db2.gz SQPQMRASETZHCU-UHFFFAOYSA-N 0 1 340.383 2.692 20 5 EFBDMN Cc1ccc(Nc2ccc(C(=O)N3CCNCC3)cc2)c([N+](=O)[O-])c1 ZINC001159528658 1311533981 /nfs/dbraw/zinc/53/39/81/1311533981.db2.gz LMIMKDCTKCNUQU-UHFFFAOYSA-N 0 1 340.383 2.692 20 5 EFBDMN Cc1cc(O[C@@H]2CCN([C@H](C)c3ccccn3)C2)ncc1[N+](=O)[O-] ZINC001225658370 1311560977 /nfs/dbraw/zinc/56/09/77/1311560977.db2.gz GLFCTEIDQNSODM-ZIAGYGMSSA-N 0 1 328.372 2.908 20 5 EFBDMN O=c1cc[nH]c(O[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001225661798 1311561452 /nfs/dbraw/zinc/56/14/52/1311561452.db2.gz PJGYZHOBXACYEB-CQSZACIVSA-N 0 1 329.356 2.739 20 5 EFBDMN O=[N+]([O-])c1cc(F)c(F)cc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001225776754 1311575504 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EFBDMN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3c(C)cc(C)cc3[N+](=O)[O-])C[C@H]1N2C ZINC001228237277 1311919059 /nfs/dbraw/zinc/91/90/59/1311919059.db2.gz IOIMXEQUFWMBHO-MPTYRVRUSA-N 0 1 348.399 2.757 20 5 EFBDMN CC1(CC(=O)NC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001228341446 1311933271 /nfs/dbraw/zinc/93/32/71/1311933271.db2.gz BNSQSYISVGIKAB-UHFFFAOYSA-N 0 1 331.416 2.866 20 5 EFBDMN C[C@@H](COc1ccccc1)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228603570 1311968609 /nfs/dbraw/zinc/96/86/09/1311968609.db2.gz MJXQORFYKCNMNE-JTQLQIEISA-N 0 1 331.328 2.814 20 5 EFBDMN O=c1[nH]c(C2CC2)nc(O[C@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC001228604041 1311968684 /nfs/dbraw/zinc/96/86/84/1311968684.db2.gz ODPMQIWZYCXNAN-ZDUSSCGKSA-N 0 1 327.340 2.904 20 5 EFBDMN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(C3CC3)[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001228604559 1311968979 /nfs/dbraw/zinc/96/89/79/1311968979.db2.gz ULOXPXQQXUVTKH-ITGUQSILSA-N 0 1 348.403 2.750 20 5 EFBDMN O=c1[nH]c(C2CC2)nc(OC[C@H]2CCc3ccccc3O2)c1[N+](=O)[O-] ZINC001228605715 1311969066 /nfs/dbraw/zinc/96/90/66/1311969066.db2.gz LMFWSAVQIJFWNT-GFCCVEGCSA-N 0 1 343.339 2.740 20 5 EFBDMN O=c1[nH]c(C2CC2)nc(O[C@@H]2CCOc3ccccc32)c1[N+](=O)[O-] ZINC001228604860 1311969257 /nfs/dbraw/zinc/96/92/57/1311969257.db2.gz XFPNIKTXMOCYIY-GFCCVEGCSA-N 0 1 329.312 2.870 20 5 EFBDMN C[C@@H](COc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])Oc1ccccc1 ZINC001228610366 1311969700 /nfs/dbraw/zinc/96/97/00/1311969700.db2.gz TXWWINXLERQCDJ-JTQLQIEISA-N 0 1 331.328 2.814 20 5 EFBDMN Cc1cnc(F)c([C@@H](C)Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])c1 ZINC001228610182 1311969996 /nfs/dbraw/zinc/96/99/96/1311969996.db2.gz QWVCQIPIVISLNH-MRVPVSSYSA-N 0 1 334.307 2.950 20 5 EFBDMN Cc1[nH]c(=O)cc(O[C@H]2CCN3Cc4ccccc4N=C23)c1[N+](=O)[O-] ZINC001228688407 1311982665 /nfs/dbraw/zinc/98/26/65/1311982665.db2.gz IQERQYLMSMBFCK-ZDUSSCGKSA-N 0 1 340.339 2.701 20 5 EFBDMN CN1[C@@H]2C[C@@H](Oc3ccc4nc5ccccc5nc4c3)[C@H]1CC(=O)C2 ZINC001228740835 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CFLNNCROPYGWMH-SECBINFHSA-N 0 1 349.309 2.966 20 5 EFBDMN CC(C)[N@H+]1CCC[C@@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228858084 1312010676 /nfs/dbraw/zinc/01/06/76/1312010676.db2.gz CFLNNCROPYGWMH-SECBINFHSA-N 0 1 349.309 2.966 20 5 EFBDMN CC(C)[N@H+]1CC[C@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1 ZINC001228860300 1312010849 /nfs/dbraw/zinc/01/08/49/1312010849.db2.gz SRGKHRJIGQPLGY-QMMMGPOBSA-N 0 1 335.282 2.576 20 5 EFBDMN CC(C)[N@@H+]1CC[C@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860300 1312010852 /nfs/dbraw/zinc/01/08/52/1312010852.db2.gz SRGKHRJIGQPLGY-QMMMGPOBSA-N 0 1 335.282 2.576 20 5 EFBDMN CC(C)[N@H+]1CC[C@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860300 1312010854 /nfs/dbraw/zinc/01/08/54/1312010854.db2.gz SRGKHRJIGQPLGY-QMMMGPOBSA-N 0 1 335.282 2.576 20 5 EFBDMN C[C@@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])C1CCOCC1 ZINC001228861099 1312011413 /nfs/dbraw/zinc/01/14/13/1312011413.db2.gz BHOBPHNPTVEVBI-SSDOTTSWSA-N 0 1 336.266 2.908 20 5 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329.312 2.633 20 5 EFBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(-c2cc(F)ccc2Br)o1 ZINC001261576639 1316419237 /nfs/dbraw/zinc/41/92/37/1316419237.db2.gz XVHILEOCMVQKMR-VXNVDRBHSA-N 0 1 328.097 2.771 20 5 EFBDMN CN(CCc1ccccc1)CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261908187 1316437367 /nfs/dbraw/zinc/43/73/67/1316437367.db2.gz FDVVYUYTNSTOHU-UHFFFAOYSA-N 0 1 339.395 2.612 20 5 EFBDMN CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001264991540 1316681750 /nfs/dbraw/zinc/68/17/50/1316681750.db2.gz PBADVMLIBYJHRF-BXKDBHETSA-N 0 1 339.323 2.776 20 5 EFBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC001320052098 1329065838 /nfs/dbraw/zinc/06/58/38/1329065838.db2.gz LGICAPIJUVUEHL-QWHCGFSZSA-N 0 1 331.372 2.852 20 5 EFBDMN O=[N+]([O-])c1ccc(/C=C/c2nc([C@H]3CN4CCC3CC4)no2)cc1 ZINC001320495017 1329145184 /nfs/dbraw/zinc/14/51/84/1329145184.db2.gz CHGIAGWJKFNWIV-VFQAQYNWSA-N 0 1 326.356 2.957 20 5 EFBDMN CCC(=O)c1ccc(NCC(C)(C)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001321542993 1329394461 /nfs/dbraw/zinc/39/44/61/1329394461.db2.gz VZBLDUBHZAPTSN-UHFFFAOYSA-N 0 1 348.447 2.625 20 5 EFBDMN CS[C@@H]1CC[C@@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC001322743523 1329484610 /nfs/dbraw/zinc/48/46/10/1329484610.db2.gz FESCDIYIWPJVIV-NXEZZACHSA-N 0 1 326.422 2.797 20 5 EFBDMN C[C@@H](c1nc([C@H]2CN3CCC2CC3)no1)c1cccc([N+](=O)[O-])c1 ZINC001323556100 1329551396 /nfs/dbraw/zinc/55/13/96/1329551396.db2.gz FYLCJWDOYKWQRP-ABAIWWIYSA-N 0 1 328.372 2.939 20 5 EFBDMN C[C@H](c1nc([C@@H]2CN3CCC2CC3)no1)c1cccc([N+](=O)[O-])c1 ZINC001323556106 1329551455 /nfs/dbraw/zinc/55/14/55/1329551455.db2.gz FYLCJWDOYKWQRP-XHDPSFHLSA-N 0 1 328.372 2.939 20 5 EFBDMN COc1ccc(COC(=O)c2ccc3cncn3c2C)cc1[N+](=O)[O-] ZINC001323875600 1329582397 /nfs/dbraw/zinc/58/23/97/1329582397.db2.gz ADBDGSWKFDXUPY-UHFFFAOYSA-N 0 1 341.323 2.917 20 5 EFBDMN CC[C@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001326650138 1330336923 /nfs/dbraw/zinc/33/69/23/1330336923.db2.gz QKMOBHCELBNSRQ-LBPRGKRZSA-N 0 1 342.237 2.883 20 5 EFBDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333099318 1331078133 /nfs/dbraw/zinc/07/81/33/1331078133.db2.gz FJHOVABRCOZCDD-GTNSWQLSSA-N 0 1 340.383 2.569 20 5 EFBDMN CC(C)(C)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001334239305 1331269648 /nfs/dbraw/zinc/26/96/48/1331269648.db2.gz JEWZNRHKLMCBML-JKSUJKDBSA-N 0 1 331.416 2.641 20 5 EFBDMN C[C@@H](NC(=O)N1CCN(C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001335230389 1331335872 /nfs/dbraw/zinc/33/58/72/1331335872.db2.gz PXEJRIIRESIGJY-CYBMUJFWSA-N 0 1 334.420 2.782 20 5 EFBDMN Cc1cccc2nc(CNC[C@H](O)c3ccc([N+](=O)[O-])cc3)n(C)c21 ZINC001336002207 1331426217 /nfs/dbraw/zinc/42/62/17/1331426217.db2.gz KZCGPEILCBXCGM-INIZCTEOSA-N 0 1 340.383 2.613 20 5 EFBDMN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC001336721458 1331496373 /nfs/dbraw/zinc/49/63/73/1331496373.db2.gz HSJLKAQTNGIPJV-SJKOYZFVSA-N 0 1 340.383 2.866 20 5 EFBDMN CC/C=C(/C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001337581090 1331586128 /nfs/dbraw/zinc/58/61/28/1331586128.db2.gz WBUXKQPWKLAODM-ACAGNQJTSA-N 0 1 332.404 2.641 20 5 EFBDMN CC(C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])=C1CCC1 ZINC001337703853 1331593614 /nfs/dbraw/zinc/59/36/14/1331593614.db2.gz MVUGVMBPCJIMKP-UHFFFAOYSA-N 0 1 344.415 2.786 20 5 EFBDMN CS[C@@H]1CC[C@@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001340801277 1332206657 /nfs/dbraw/zinc/20/66/57/1332206657.db2.gz MSILIARIKNQLGB-HUUCEWRRSA-N 0 1 337.445 2.774 20 5 EFBDMN Cc1c(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)ccc2cncn21 ZINC001345106568 1332509836 /nfs/dbraw/zinc/50/98/36/1332509836.db2.gz RJWZPXRPNMINBM-UHFFFAOYSA-N 0 1 341.323 2.787 20 5 EFBDMN C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)CN1CCOCC1 ZINC001349978709 1333021494 /nfs/dbraw/zinc/02/14/94/1333021494.db2.gz BYNRLOYOPBWTGV-ZDUSSCGKSA-N 0 1 330.388 2.523 20 5 EFBDMN C[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H](C)N1C ZINC001350487172 1333088369 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CO[C@@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@H]1C ZINC000848488994 1334745390 /nfs/dbraw/zinc/74/53/90/1334745390.db2.gz PHGVKLDCLBMCLF-CXAGYDPISA-N 0 1 330.388 2.773 20 5 EFBDMN O=C([O-])C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCC1 ZINC000848598426 1334809850 /nfs/dbraw/zinc/80/98/50/1334809850.db2.gz KOQJELOGQSFXEQ-UHFFFAOYSA-N 0 1 343.177 2.796 20 5 EFBDMN O=C(COC(=O)c1ccc(O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000848950863 1335004663 /nfs/dbraw/zinc/00/46/63/1335004663.db2.gz OIEDSTDGRAIRHA-UHFFFAOYSA-N 0 1 335.699 2.994 20 5 EFBDMN C[C@@H](CN1CCN(C)CC1)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001356498370 1335044504 /nfs/dbraw/zinc/04/45/04/1335044504.db2.gz DJYPTRNEODTPAZ-NSHDSACASA-N 0 1 346.353 2.661 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1C=CCC1 ZINC000849431513 1335614714 /nfs/dbraw/zinc/61/47/14/1335614714.db2.gz ZTIAWJXJOSTNSO-QMMMGPOBSA-N 0 1 337.184 2.899 20 5 EFBDMN O=C(Cc1n[nH]c2c1CCCC2)OCc1ccc(F)cc1[N+](=O)[O-] ZINC000849759542 1335740463 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338.371 2.668 20 5 EFBDMN C[C@@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000820425744 1449428483 /nfs/dbraw/zinc/42/84/83/1449428483.db2.gz BQFSCOBRYKCVEG-SNVBAGLBSA-N 0 1 342.334 2.765 20 5 EFBDMN CCOc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120077269 712908326 /nfs/dbraw/zinc/90/83/26/712908326.db2.gz QBDIXYUZWDYIDC-UHFFFAOYSA-N 0 1 328.371 2.856 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000160662739 714398373 /nfs/dbraw/zinc/39/83/73/714398373.db2.gz NNSKWGUNPZAYQT-INIZCTEOSA-N 0 1 349.337 2.906 20 5 EFBDMN Cc1ccc(CC(=O)N[C@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C2)o1 ZINC001021982108 714628219 /nfs/dbraw/zinc/62/82/19/714628219.db2.gz QNBDWGVPGVUDOB-BETUJISGSA-N 0 1 349.412 2.537 20 5 EFBDMN CCC[C@@H](C)NC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000934043817 715180588 /nfs/dbraw/zinc/18/05/88/715180588.db2.gz OPOVCKCXSZDXLI-CYBMUJFWSA-N 0 1 349.435 2.657 20 5 EFBDMN CCCCN(C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000934047098 715180975 /nfs/dbraw/zinc/18/09/75/715180975.db2.gz FHGRFAZRRKDGSA-UHFFFAOYSA-N 0 1 349.435 2.610 20 5 EFBDMN COC(=O)C[C@@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000934033643 715181796 /nfs/dbraw/zinc/18/17/96/715181796.db2.gz NIVPWNRUVGJFPH-CQSZACIVSA-N 0 1 342.367 2.810 20 5 EFBDMN O=[N+]([O-])c1cn(CN2C[C@@H]3CCCC[C@@H]3C2)nc1-c1ccncc1 ZINC000176204147 715193248 /nfs/dbraw/zinc/19/32/48/715193248.db2.gz QRHQYTGHTHLHHK-GASCZTMLSA-N 0 1 327.388 2.933 20 5 EFBDMN Cc1nc([C@H](C)OC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000840536226 715223942 /nfs/dbraw/zinc/22/39/42/715223942.db2.gz WEAMUSKOBICDAP-LURJTMIESA-N 0 1 342.714 2.661 20 5 EFBDMN O=[N+]([O-])c1cc(-c2ccccc2)ccc1OS(=O)(=O)c1c[nH]cn1 ZINC000121778630 715313396 /nfs/dbraw/zinc/31/33/96/715313396.db2.gz LJPGZIIQNOIIOE-UHFFFAOYSA-N 0 1 345.336 2.753 20 5 EFBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000934574376 715685568 /nfs/dbraw/zinc/68/55/68/715685568.db2.gz GIHRQOHATVUPAF-IINYFYTJSA-N 0 1 335.429 2.529 20 5 EFBDMN Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000044255310 716005233 /nfs/dbraw/zinc/00/52/33/716005233.db2.gz ZALFEPRNSFNYCO-UHFFFAOYSA-N 0 1 345.739 2.770 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H](O)COc1ccccc1 ZINC000892521819 718204678 /nfs/dbraw/zinc/20/46/78/718204678.db2.gz GUXSGRXYZOLXLY-AWEZNQCLSA-N 0 1 336.775 2.778 20 5 EFBDMN COC(=O)N1CC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000178171324 718274621 /nfs/dbraw/zinc/27/46/21/718274621.db2.gz SBWOVWMVOSSAHF-UHFFFAOYSA-N 0 1 347.396 2.864 20 5 EFBDMN CC1(C(=O)N2CC3(C2)CCCN(Cc2ccc([N+](=O)[O-])cc2)C3)CC1 ZINC000981786443 719034455 /nfs/dbraw/zinc/03/44/55/719034455.db2.gz JKFMLMLSPJSDHY-UHFFFAOYSA-N 0 1 343.427 2.819 20 5 EFBDMN CC1(C(=O)N2CC3(C2)CCCN(Cc2ccccc2[N+](=O)[O-])C3)CC1 ZINC000981788420 719037535 /nfs/dbraw/zinc/03/75/35/719037535.db2.gz VIMWEUHSLBXIPX-UHFFFAOYSA-N 0 1 343.427 2.819 20 5 EFBDMN Cc1nc([C@H](C)OC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000840580829 719148537 /nfs/dbraw/zinc/14/85/37/719148537.db2.gz UELHICPFPOWXLV-LURJTMIESA-N 0 1 344.249 2.958 20 5 EFBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164643542 719234058 /nfs/dbraw/zinc/23/40/58/719234058.db2.gz ZEBMVSRSDNQFDK-QWHCGFSZSA-N 0 1 327.388 2.581 20 5 EFBDMN CC(C)CN1CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001164651798 719329741 /nfs/dbraw/zinc/32/97/41/719329741.db2.gz HRUWWMWVHJBJDC-UHFFFAOYSA-N 0 1 348.781 2.966 20 5 EFBDMN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893001969 719429462 /nfs/dbraw/zinc/42/94/62/719429462.db2.gz RCDITIHPVCCVSS-OLZOCXBDSA-N 0 1 346.836 2.694 20 5 EFBDMN CC1(C)[C@@H](O)C[C@@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC000232772321 726051167 /nfs/dbraw/zinc/05/11/67/726051167.db2.gz FOXKPPURKWKHSZ-QWRGUYRKSA-N 0 1 329.194 2.606 20 5 EFBDMN COc1c(O)ccc(CN2CCC([C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000893902870 720147606 /nfs/dbraw/zinc/14/76/06/720147606.db2.gz ZHSXULZXFVHBPS-OAHLLOKOSA-N 0 1 336.388 2.700 20 5 EFBDMN Cc1nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164725544 720332623 /nfs/dbraw/zinc/33/26/23/720332623.db2.gz NLVGVVHBHPNRRU-IRXDYDNUSA-N 0 1 339.399 2.546 20 5 EFBDMN Cc1nc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164725542 720333431 /nfs/dbraw/zinc/33/34/31/720333431.db2.gz NLVGVVHBHPNRRU-DLBZAZTESA-N 0 1 339.399 2.546 20 5 EFBDMN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCN(C2CCCC2)CC1 ZINC001165027993 721854423 /nfs/dbraw/zinc/85/44/23/721854423.db2.gz GNEMPEXGVBSIFK-UHFFFAOYSA-N 0 1 346.218 2.756 20 5 EFBDMN Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](Nc3ccc(C)cc3[N+](=O)[O-])C2)c1C ZINC001059172522 722762735 /nfs/dbraw/zinc/76/27/35/722762735.db2.gz XKOJZOXBDAREKQ-JOCQHMNTSA-N 0 1 343.387 2.616 20 5 EFBDMN COc1c(O)ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000894633725 722803557 /nfs/dbraw/zinc/80/35/57/722803557.db2.gz HDYANSURULQGQK-KRWDZBQOSA-N 0 1 348.399 2.700 20 5 EFBDMN COc1c(O)ccc(CN(C)[C@H](CO)CC(C)(C)C)c1[N+](=O)[O-] ZINC000894745013 722832982 /nfs/dbraw/zinc/83/29/82/722832982.db2.gz IFISCELGJBDBIT-LBPRGKRZSA-N 0 1 326.393 2.538 20 5 EFBDMN CC(C)(CCNCc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000894905752 723023287 /nfs/dbraw/zinc/02/32/87/723023287.db2.gz JDINZLCWCLPEKZ-UHFFFAOYSA-N 0 1 334.825 2.551 20 5 EFBDMN Cc1ncc2n1C[C@@H](c1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000895962658 723068463 /nfs/dbraw/zinc/06/84/63/723068463.db2.gz GLQBAHJVOGJEPH-LBPRGKRZSA-N 0 1 325.328 2.880 20 5 EFBDMN Cc1ncc2n1C[C@@H](c1nc(-c3ccc([N+](=O)[O-])s3)no1)CC2 ZINC000896221315 723199395 /nfs/dbraw/zinc/19/93/95/723199395.db2.gz DLRBWPFDIJOSKM-VIFPVBQESA-N 0 1 331.357 2.941 20 5 EFBDMN COc1c(O)ccc(CN2CCC(CSC)CC2)c1[N+](=O)[O-] ZINC000896940599 723903050 /nfs/dbraw/zinc/90/30/50/723903050.db2.gz HNDVONIORUIFHH-UHFFFAOYSA-N 0 1 326.418 2.884 20 5 EFBDMN O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc([N+](=O)[O-])[nH]1 ZINC000728422103 724003619 /nfs/dbraw/zinc/00/36/19/724003619.db2.gz ZYFQZGIQIUJCID-UHFFFAOYSA-N 0 1 348.702 2.983 20 5 EFBDMN Cc1cn(CN(CC2CC2)C(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728708233 724142769 /nfs/dbraw/zinc/14/27/69/724142769.db2.gz YKADPURBXGACBS-UHFFFAOYSA-N 0 1 344.415 2.934 20 5 EFBDMN CCO/C=C/[C@](O)(CNCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000895711116 724270416 /nfs/dbraw/zinc/27/04/16/724270416.db2.gz YPTMPRDUHPANFY-GWJCSSMESA-N 0 1 334.294 2.528 20 5 EFBDMN CN1CC[C@H]1CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000895770523 724306228 /nfs/dbraw/zinc/30/62/28/724306228.db2.gz PCXZSCVPWRTMHV-AWEZNQCLSA-N 0 1 328.372 2.685 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4[C@H](O)CC[C@@H]4C3)cs2)c1 ZINC000895784345 724312245 /nfs/dbraw/zinc/31/22/45/724312245.db2.gz FNRCNUYNKCUFBI-UHOFOFEASA-N 0 1 345.424 2.921 20 5 EFBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925238286 725028318 /nfs/dbraw/zinc/02/83/18/725028318.db2.gz QIZKYUYCBCJFQU-CJNGLKHVSA-N 0 1 334.420 2.637 20 5 EFBDMN Cc1ccc([C@@H](O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174652157 725518531 /nfs/dbraw/zinc/51/85/31/725518531.db2.gz ZHHVCXWUYSBWBO-IBGZPJMESA-N 0 1 341.411 2.759 20 5 EFBDMN CC(C)(C)OC(=O)NC1(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000897423379 725519441 /nfs/dbraw/zinc/51/94/41/725519441.db2.gz JTEWQANJBYCMPL-UHFFFAOYSA-N 0 1 339.367 2.881 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)nc2)c1C ZINC000152859539 726278742 /nfs/dbraw/zinc/27/87/42/726278742.db2.gz FDBOJXWATXDAKX-UHFFFAOYSA-N 0 1 325.321 2.547 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@@H](CF)C1 ZINC000914426814 726289984 /nfs/dbraw/zinc/28/99/84/726289984.db2.gz SFBMOJKVRYXSET-NSHDSACASA-N 0 1 332.335 2.807 20 5 EFBDMN CCn1c(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000731678406 726916535 /nfs/dbraw/zinc/91/65/35/726916535.db2.gz LXWYTZDFPFZQGN-KRWDZBQOSA-N 0 1 340.383 2.788 20 5 EFBDMN CC(C)(C)CN(CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000731843299 726941664 /nfs/dbraw/zinc/94/16/64/726941664.db2.gz ORHNCELHKIKNRW-UHFFFAOYSA-N 0 1 343.811 2.527 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@@H](c4ccco4)C3)n2)c1 ZINC000732181795 727000979 /nfs/dbraw/zinc/00/09/79/727000979.db2.gz AGUUGRSVXFABQD-CQSZACIVSA-N 0 1 339.355 2.893 20 5 EFBDMN CN1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000908573045 727218783 /nfs/dbraw/zinc/21/87/83/727218783.db2.gz MEUNFHDDHINYMS-UHFFFAOYSA-N 0 1 335.379 2.824 20 5 EFBDMN CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000908573174 727218861 /nfs/dbraw/zinc/21/88/61/727218861.db2.gz IODZTBWAELXWIT-UHFFFAOYSA-N 0 1 335.379 2.824 20 5 EFBDMN Cc1cc(F)cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1[N+](=O)[O-] ZINC000151056935 727769544 /nfs/dbraw/zinc/76/95/44/727769544.db2.gz BMSWKYBAZPXJOZ-UHFFFAOYSA-N 0 1 346.293 2.988 20 5 EFBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000165796536 728070999 /nfs/dbraw/zinc/07/09/99/728070999.db2.gz UWEFVHLLSFFVFD-UHFFFAOYSA-N 0 1 345.739 2.892 20 5 EFBDMN O=C(Nc1nnc(-c2ccccn2)s1)c1cc(F)ccc1[N+](=O)[O-] ZINC000063475825 728626909 /nfs/dbraw/zinc/62/69/09/728626909.db2.gz CZDPVMVYZUXGIP-UHFFFAOYSA-N 0 1 345.315 2.900 20 5 EFBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001589606262 949277761 /nfs/dbraw/zinc/27/77/61/949277761.db2.gz HFLABYFQCNIYAN-INIZCTEOSA-N 0 1 333.344 2.813 20 5 EFBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235774775 949879218 /nfs/dbraw/zinc/87/92/18/949879218.db2.gz LKBHOBOUZMXMBC-ZDUSSCGKSA-N 0 1 343.177 2.654 20 5 EFBDMN O=C([O-])[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001594951901 954961431 /nfs/dbraw/zinc/96/14/31/954961431.db2.gz SVEIWTGJNQLFJG-HNNXBMFYSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001594951901 954961438 /nfs/dbraw/zinc/96/14/38/954961438.db2.gz SVEIWTGJNQLFJG-HNNXBMFYSA-N 0 1 330.315 2.918 20 5 EFBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000235309768 960408450 /nfs/dbraw/zinc/40/84/50/960408450.db2.gz OWTHVYFQUKDKQA-SCZZXKLOSA-N 0 1 343.177 2.652 20 5 EFBDMN O=C([O-])CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001606128604 973375271 /nfs/dbraw/zinc/37/52/71/973375271.db2.gz PVLVTUGRDHZHDJ-ZDUSSCGKSA-N 0 1 349.387 2.500 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001591790976 975979287 /nfs/dbraw/zinc/97/92/87/975979287.db2.gz FNHVREXJEXXHFO-DYVFJYSZSA-N 0 1 334.372 2.821 20 5 EFBDMN C[C@](CC(=O)[O-])([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccn1 ZINC001592328614 977749137 /nfs/dbraw/zinc/74/91/37/977749137.db2.gz NHHJTOMYQJKHFM-MRXNPFEDSA-N 0 1 333.319 2.609 20 5 EFBDMN Cc1ccc(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000872161403 980050076 /nfs/dbraw/zinc/05/00/76/980050076.db2.gz ZAWZYFRVUBIFMX-ZDUSSCGKSA-N 0 1 332.278 2.742 20 5 EFBDMN O=C([O-])c1cncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000903887187 981020542 /nfs/dbraw/zinc/02/05/42/981020542.db2.gz LWUSUGHDOLEFML-UHFFFAOYSA-N 0 1 327.340 2.853 20 5 EFBDMN O=C([O-])c1cncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000903887187 981020548 /nfs/dbraw/zinc/02/05/48/981020548.db2.gz LWUSUGHDOLEFML-UHFFFAOYSA-N 0 1 327.340 2.853 20 5 EFBDMN C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598517965 992641556 /nfs/dbraw/zinc/64/15/56/992641556.db2.gz MJFIVWWDEHPPIW-CQSZACIVSA-N 0 1 342.779 2.702 20 5 EFBDMN C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(C(=O)[O-])cn1 ZINC001598518003 992641666 /nfs/dbraw/zinc/64/16/66/992641666.db2.gz ODJNXUKFRZKPBL-UHFFFAOYSA-N 0 1 335.747 2.973 20 5 EFBDMN C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(C(=O)[O-])cn1 ZINC001598518003 992641670 /nfs/dbraw/zinc/64/16/70/992641670.db2.gz ODJNXUKFRZKPBL-UHFFFAOYSA-N 0 1 335.747 2.973 20 5 EFBDMN C[N@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCC1(C)C ZINC001598619814 993982918 /nfs/dbraw/zinc/98/29/18/993982918.db2.gz LLLMWKUSKPSXCF-UHFFFAOYSA-N 0 1 341.795 2.867 20 5 EFBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001593718201 996239654 /nfs/dbraw/zinc/23/96/54/996239654.db2.gz ZYWOAFQRLUKTFV-FZKQIMNGSA-N 0 1 348.399 2.738 20 5 EFBDMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001593732632 996314447 /nfs/dbraw/zinc/31/44/47/996314447.db2.gz XOJHERMUGWANTG-SNVBAGLBSA-N 0 1 335.385 2.985 20 5 EFBDMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001593732632 996314450 /nfs/dbraw/zinc/31/44/50/996314450.db2.gz XOJHERMUGWANTG-SNVBAGLBSA-N 0 1 335.385 2.985 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001599462039 998290106 /nfs/dbraw/zinc/29/01/06/998290106.db2.gz HUKOAYZGSKMCFF-CQDKDKBSSA-N 0 1 334.372 2.821 20 5 EFBDMN C[C@H](NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001576176305 1088979431 /nfs/dbraw/zinc/97/94/31/1088979431.db2.gz VGVDBCQAEANOCT-BTDLBPIBSA-N 0 1 349.337 2.924 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)CCCCc1cn[nH]n1 ZINC001577406792 1089922355 /nfs/dbraw/zinc/92/23/55/1089922355.db2.gz ZLYIICUMOPCUJS-UHFFFAOYSA-N 0 1 332.360 2.786 20 5 EFBDMN COc1c(O)ccc(CNCc2cccc3c2CCCN3)c1[N+](=O)[O-] ZINC001579136196 1090522391 /nfs/dbraw/zinc/52/23/91/1090522391.db2.gz DXKOHRMZMSXOOR-UHFFFAOYSA-N 0 1 343.383 2.957 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2n1CCN[C@@H]2C ZINC001579577687 1090637136 /nfs/dbraw/zinc/63/71/36/1090637136.db2.gz ZBBORVKPCLIIPI-GFCCVEGCSA-N 0 1 328.372 2.930 20 5 EFBDMN Cc1ccc([C@H](N)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001579668475 1090657222 /nfs/dbraw/zinc/65/72/22/1090657222.db2.gz FUGZFBNOAOWHOA-INIZCTEOSA-N 0 1 347.802 2.915 20 5 EFBDMN Cc1ccccc1[C@H](N)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001579792812 1090688258 /nfs/dbraw/zinc/68/82/58/1090688258.db2.gz CFEZUXNUAFYZCF-INIZCTEOSA-N 0 1 347.802 2.915 20 5 EFBDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001589103773 1093032796 /nfs/dbraw/zinc/03/27/96/1093032796.db2.gz WMGFLVIPIMHQMP-LLVKDONJSA-N 0 1 330.392 2.643 20 5 EFBDMN C[C@@H](N[C@H](C)c1cc(-c2nn[nH]n2)ccn1)c1cccc([N+](=O)[O-])c1 ZINC001589950974 1093190671 /nfs/dbraw/zinc/19/06/71/1093190671.db2.gz ZDZNQGBFIHRVGC-GHMZBOCLSA-N 0 1 339.359 2.582 20 5 EFBDMN O=[N+]([O-])c1cc(CN(CCCO)C2CC2)ccc1Br ZINC000404264115 1093214269 /nfs/dbraw/zinc/21/42/69/1093214269.db2.gz YMSCGDFBJCJJCR-UHFFFAOYSA-N 0 1 329.194 2.704 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](C)[N@H+]2CCCC[C@@H]2C)n1 ZINC001600107634 1094776250 /nfs/dbraw/zinc/77/62/50/1094776250.db2.gz ZUUUPULIYDYWJC-RYUDHWBXSA-N 0 1 336.392 2.671 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001600304903 1094957455 /nfs/dbraw/zinc/95/74/55/1094957455.db2.gz USNRVSLHXPYAFO-CYBMUJFWSA-N 0 1 332.278 2.742 20 5 EFBDMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001600374271 1095012805 /nfs/dbraw/zinc/01/28/05/1095012805.db2.gz WQSOHESERHIKQU-JTQLQIEISA-N 0 1 345.355 2.771 20 5 EFBDMN Cc1[nH+]c2cc(Nc3nccc(C(=O)[O-])c3[N+](=O)[O-])ccc2n1C ZINC001600726765 1095291612 /nfs/dbraw/zinc/29/16/12/1095291612.db2.gz UVRMURHNNQTESV-UHFFFAOYSA-N 0 1 327.300 2.627 20 5 EFBDMN Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001600807931 1095344952 /nfs/dbraw/zinc/34/49/52/1095344952.db2.gz FJPVRFJFDOCARI-VIFPVBQESA-N 0 1 349.343 2.514 20 5 EFBDMN Cn1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C(=O)[O-] ZINC001600952623 1095445218 /nfs/dbraw/zinc/44/52/18/1095445218.db2.gz VTRRSOQVVRJPFG-UHFFFAOYSA-N 0 1 329.356 2.796 20 5 EFBDMN O=C([O-])CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001602007342 1096018657 /nfs/dbraw/zinc/01/86/57/1096018657.db2.gz CMTDFGMLMVQHDF-QGZVFWFLSA-N 0 1 344.367 2.605 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC001602082382 1096052079 /nfs/dbraw/zinc/05/20/79/1096052079.db2.gz QZAXABXAMGWDRD-ZIAGYGMSSA-N 0 1 334.372 2.823 20 5 EFBDMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001602222318 1096123966 /nfs/dbraw/zinc/12/39/66/1096123966.db2.gz WGOXHNWCDZDHGI-VFZGTOFNSA-N 0 1 326.299 2.560 20 5 EFBDMN O=C([O-])c1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)no1 ZINC001602253252 1096139795 /nfs/dbraw/zinc/13/97/95/1096139795.db2.gz UVRAVDWBRZYCCA-UHFFFAOYSA-N 0 1 349.318 2.800 20 5 EFBDMN O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001602299518 1096165874 /nfs/dbraw/zinc/16/58/74/1096165874.db2.gz YODDUVKTYSBNJD-VIFPVBQESA-N 0 1 339.779 2.843 20 5 EFBDMN O=C([O-])c1sccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001602596868 1096313467 /nfs/dbraw/zinc/31/34/67/1096313467.db2.gz JFJOIBDGSQKSRS-UHFFFAOYSA-N 0 1 332.341 2.521 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC001602985428 1096416475 /nfs/dbraw/zinc/41/64/75/1096416475.db2.gz YJZSHSZGVAYGMX-LPDYGMJQSA-N 0 1 336.388 2.808 20 5 EFBDMN CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603783901 1096626563 /nfs/dbraw/zinc/62/65/63/1096626563.db2.gz JYTKSTVXKRFZAS-KRWDZBQOSA-N 0 1 336.388 2.666 20 5 EFBDMN C/C=C(/CC)C(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC001603962085 1096684624 /nfs/dbraw/zinc/68/46/24/1096684624.db2.gz ISGQPQXOZIYKMQ-CLTKARDFSA-N 0 1 336.739 2.723 20 5 EFBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC001604090205 1096729202 /nfs/dbraw/zinc/72/92/02/1096729202.db2.gz KAEXWMZTSJOYCW-INIZCTEOSA-N 0 1 333.319 2.609 20 5 EFBDMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604383270 1096834822 /nfs/dbraw/zinc/83/48/22/1096834822.db2.gz ITFMFGLGLLQRPX-DOMZBBRYSA-N 0 1 336.388 2.809 20 5 EFBDMN C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001604473332 1096871937 /nfs/dbraw/zinc/87/19/37/1096871937.db2.gz FPHZDVJHMRSPDU-GFCCVEGCSA-N 0 1 345.355 2.646 20 5 EFBDMN C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001604473332 1096871942 /nfs/dbraw/zinc/87/19/42/1096871942.db2.gz FPHZDVJHMRSPDU-GFCCVEGCSA-N 0 1 345.355 2.646 20 5 EFBDMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC001604754018 1096947870 /nfs/dbraw/zinc/94/78/70/1096947870.db2.gz PBKAFCZTRSDNAJ-LRDDRELGSA-N 0 1 344.371 2.573 20 5 EFBDMN CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001605323917 1097096063 /nfs/dbraw/zinc/09/60/63/1097096063.db2.gz MZAQJQHUGFKWPZ-VIFPVBQESA-N 0 1 327.768 2.843 20 5 EFBDMN C[N@@H+]1CC=C(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001606209100 1097351630 /nfs/dbraw/zinc/35/16/30/1097351630.db2.gz POKAJCKUIARXPD-UHFFFAOYSA-N 0 1 325.752 2.620 20 5 EFBDMN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+](CCC1CC1)CC1CC1 ZINC001607077712 1097505552 /nfs/dbraw/zinc/50/55/52/1097505552.db2.gz QPILJAMZVWXKTC-UHFFFAOYSA-N 0 1 342.403 2.787 20 5 EFBDMN Cc1oc(C(=O)[O-])cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001608037567 1097812528 /nfs/dbraw/zinc/81/25/28/1097812528.db2.gz YXHOXLKWNGELKI-UHFFFAOYSA-N 0 1 345.355 2.517 20 5 EFBDMN Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001608129345 1097842188 /nfs/dbraw/zinc/84/21/88/1097842188.db2.gz LKMOOEQUQLNIHP-INIZCTEOSA-N 0 1 329.356 2.969 20 5 EFBDMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001608129345 1097842193 /nfs/dbraw/zinc/84/21/93/1097842193.db2.gz LKMOOEQUQLNIHP-INIZCTEOSA-N 0 1 329.356 2.969 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC001608759126 1098010987 /nfs/dbraw/zinc/01/09/87/1098010987.db2.gz YCFDFEOMQGTUTR-KRWDZBQOSA-N 0 1 346.383 2.823 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC001608915207 1098070735 /nfs/dbraw/zinc/07/07/35/1098070735.db2.gz JSLGAGIBCYIWPG-LLVKDONJSA-N 0 1 334.376 2.507 20 5 EFBDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2nc3ccccc3nc21 ZINC001269504146 1098188121 /nfs/dbraw/zinc/18/81/21/1098188121.db2.gz AVWXDTASGYCHAJ-OKILXGFUSA-N 0 1 332.407 2.702 20 5 EFBDMN C[C@H]1C[N@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCC1(F)F ZINC001609869066 1098481569 /nfs/dbraw/zinc/48/15/69/1098481569.db2.gz HNOGACWZRCVBCC-JTQLQIEISA-N 0 1 344.314 2.535 20 5 EFBDMN C[C@H]1C[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCC1(F)F ZINC001609869066 1098481571 /nfs/dbraw/zinc/48/15/71/1098481571.db2.gz HNOGACWZRCVBCC-JTQLQIEISA-N 0 1 344.314 2.535 20 5 EFBDMN CN(C[C@H]1CCC[N@@H+](C)C1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001610131066 1098555679 /nfs/dbraw/zinc/55/56/79/1098555679.db2.gz KANJXWZMUWRYAE-JTQLQIEISA-N 0 1 341.795 2.724 20 5 EFBDMN COc1cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001610293245 1098606220 /nfs/dbraw/zinc/60/62/20/1098606220.db2.gz VRQDCPFGBBNWRX-MRXNPFEDSA-N 0 1 330.340 2.861 20 5 EFBDMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001610730038 1098855132 /nfs/dbraw/zinc/85/51/32/1098855132.db2.gz RLDJNODDZDBENL-GOSISDBHSA-N 0 1 344.342 2.962 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC001610842419 1098929046 /nfs/dbraw/zinc/92/90/46/1098929046.db2.gz WQRJYNFJVNOARG-ZIAGYGMSSA-N 0 1 348.399 2.932 20 5 EFBDMN O=C(Nc1cc(F)c(F)cc1N1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840462745 1101086701 /nfs/dbraw/zinc/08/67/01/1101086701.db2.gz QUBCHGZBKIJNOB-NOZJJQNGSA-N 0 1 325.315 2.559 20 5 EFBDMN CC(C)(CCNCc1cc(Cl)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000840960041 1102581791 /nfs/dbraw/zinc/58/17/91/1102581791.db2.gz CECBVHDVDPPTCP-UHFFFAOYSA-N 0 1 334.825 2.551 20 5 EFBDMN Cc1ccc(N(C)CCN(C(=O)c2ccn[nH]2)C(C)C)c([N+](=O)[O-])c1 ZINC001125399568 1102637801 /nfs/dbraw/zinc/63/78/01/1102637801.db2.gz IMIVWPHWSJSBIL-UHFFFAOYSA-N 0 1 345.403 2.613 20 5 EFBDMN Cc1oc(C(C)C)nc1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001127168086 1104340757 /nfs/dbraw/zinc/34/07/57/1104340757.db2.gz AXTFDFXMQRPOAT-UHFFFAOYSA-N 0 1 346.387 2.534 20 5 EFBDMN C[C@@]1(O)CN[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001211935636 1104643704 /nfs/dbraw/zinc/64/37/04/1104643704.db2.gz PSZYOBHWFZWNMT-LIRRHRJNSA-N 0 1 347.378 2.618 20 5 EFBDMN Cc1ccc(CNCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000729684718 1104783120 /nfs/dbraw/zinc/78/31/20/1104783120.db2.gz FELOGBZSMINWKO-UHFFFAOYSA-N 0 1 325.368 2.582 20 5 EFBDMN Cc1cc(NC2CN(C(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001168312625 1106578435 /nfs/dbraw/zinc/57/84/35/1106578435.db2.gz CTFZXDXJONUPQR-UHFFFAOYSA-N 0 1 327.388 2.865 20 5 EFBDMN CCc1cc(C(=O)N(CC)CCNc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC001106684380 1111719007 /nfs/dbraw/zinc/71/90/07/1111719007.db2.gz TWMLYFFFFRIPNB-UHFFFAOYSA-N 0 1 345.403 2.763 20 5 EFBDMN CCc1cc(C(=O)N(CC)CCNc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC001106684096 1111719131 /nfs/dbraw/zinc/71/91/31/1111719131.db2.gz CNXJQSJBVOXNMT-UHFFFAOYSA-N 0 1 349.366 2.594 20 5 EFBDMN CC(C)COC(=O)N1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072073666 1119041368 /nfs/dbraw/zinc/04/13/68/1119041368.db2.gz ZBKZGWDOWOQEBB-UHFFFAOYSA-N 0 1 349.431 2.938 20 5 EFBDMN O=C(NCCC[C@H]1CCCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000184343060 235372207 /nfs/dbraw/zinc/37/22/07/235372207.db2.gz BGMYQWJUDPPPOE-GFCCVEGCSA-N 0 1 332.360 2.550 20 5 EFBDMN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000131309242 223221916 /nfs/dbraw/zinc/22/19/16/223221916.db2.gz BKGXWUCCYOITJY-GFCCVEGCSA-N 0 1 332.429 2.933 20 5 EFBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000031556016 201067900 /nfs/dbraw/zinc/06/79/00/201067900.db2.gz XIIWHQFTMDKLSR-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2ccc(F)cc2C1 ZINC000162731890 239094962 /nfs/dbraw/zinc/09/49/62/239094962.db2.gz KALMUCGOWKNWIM-UHFFFAOYSA-N 0 1 340.314 2.809 20 5 EFBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(O)c1 ZINC000171306926 239140252 /nfs/dbraw/zinc/14/02/52/239140252.db2.gz RREAJCYSRQLLCG-VIFPVBQESA-N 0 1 326.312 2.668 20 5 EFBDMN CCC[C@@H](NCC1(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000280910485 201325737 /nfs/dbraw/zinc/32/57/37/201325737.db2.gz GLGWYARXJZWDDX-CQSZACIVSA-N 0 1 326.418 2.603 20 5 EFBDMN CCC[C@]1(COC)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000193746729 240292303 /nfs/dbraw/zinc/29/23/03/240292303.db2.gz UGWLIVUQOIENBQ-QGZVFWFLSA-N 0 1 346.387 2.892 20 5 EFBDMN O=[N+]([O-])c1cnn(CCN2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000412002932 243065400 /nfs/dbraw/zinc/06/54/00/243065400.db2.gz VLFMFIZCROUWIY-QGZVFWFLSA-N 0 1 342.399 2.645 20 5 EFBDMN CCN(Cc1occc1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412035340 243085627 /nfs/dbraw/zinc/08/56/27/243085627.db2.gz FTNGZVVIKOQTRD-HNNXBMFYSA-N 0 1 334.372 2.758 20 5 EFBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448796122 284052712 /nfs/dbraw/zinc/05/27/12/284052712.db2.gz QZFMJTNIYPAETN-SNVBAGLBSA-N 0 1 343.305 2.580 20 5 EFBDMN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)CO1 ZINC000069529314 203014487 /nfs/dbraw/zinc/01/44/87/203014487.db2.gz DELLLBGXXAMHPB-CHWSQXEVSA-N 0 1 331.372 2.902 20 5 EFBDMN CC(C)(C)c1nc(CNc2nccc3cc([N+](=O)[O-])ccc32)n[nH]1 ZINC000413404112 243658408 /nfs/dbraw/zinc/65/84/08/243658408.db2.gz DEGPDQAMNFCAAP-UHFFFAOYSA-N 0 1 326.360 2.593 20 5 EFBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000069977860 203067560 /nfs/dbraw/zinc/06/75/60/203067560.db2.gz VVQWZFDVTHEQBE-KRWDZBQOSA-N 0 1 330.384 2.604 20 5 EFBDMN COCC[C@H](C)CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000414195807 244040704 /nfs/dbraw/zinc/04/07/04/244040704.db2.gz JKUVCOLTUUWCQA-BBRMVZONSA-N 0 1 332.404 2.680 20 5 EFBDMN CC(C)C[C@H](N)c1noc(-c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC000414616572 244256628 /nfs/dbraw/zinc/25/66/28/244256628.db2.gz IGHVIXGAFGHVNK-LBPRGKRZSA-N 0 1 342.359 2.876 20 5 EFBDMN CC(C)C[C@H](N)c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC000414622239 244258559 /nfs/dbraw/zinc/25/85/59/244258559.db2.gz SFPPDMDRWMOUBW-NSHDSACASA-N 0 1 342.359 2.876 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CCOC1 ZINC000075105031 203301747 /nfs/dbraw/zinc/30/17/47/203301747.db2.gz UCNIGMZVYJKQCS-NEPJUHHUSA-N 0 1 332.360 2.674 20 5 EFBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1nc2ccc(F)cc2[nH]1 ZINC000076092278 203337599 /nfs/dbraw/zinc/33/75/99/203337599.db2.gz VJPJHAPJNSFJJZ-FPYGCLRLSA-N 0 1 340.314 2.940 20 5 EFBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000076387619 203352350 /nfs/dbraw/zinc/35/23/50/203352350.db2.gz ADIFQECKUAASQP-CQSZACIVSA-N 0 1 343.383 2.924 20 5 EFBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000268904798 284188145 /nfs/dbraw/zinc/18/81/45/284188145.db2.gz AEALASYCOKSFHH-LBPRGKRZSA-N 0 1 326.312 2.872 20 5 EFBDMN O=C(N[C@H]1CCOc2ccc(F)cc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356545855 284214368 /nfs/dbraw/zinc/21/43/68/284214368.db2.gz HLKLXBOOSGEOMT-AWEZNQCLSA-N 0 1 332.287 2.693 20 5 EFBDMN COc1cc(CNC[C@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101588357 204013118 /nfs/dbraw/zinc/01/31/18/204013118.db2.gz DBCUPOTXVIBPEU-ZDUSSCGKSA-N 0 1 346.383 2.653 20 5 EFBDMN CC(C)(C)OC(=O)N[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000106870085 204216188 /nfs/dbraw/zinc/21/61/88/204216188.db2.gz BNRVNMZBFMGPML-CQSZACIVSA-N 0 1 335.404 2.736 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000109621013 204288464 /nfs/dbraw/zinc/28/84/64/204288464.db2.gz XTDGCZITVCVOLU-CYBMUJFWSA-N 0 1 328.372 2.900 20 5 EFBDMN COCCCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000419387424 245398792 /nfs/dbraw/zinc/39/87/92/245398792.db2.gz QXYJASMXFCYDQW-NSHDSACASA-N 0 1 343.811 2.934 20 5 EFBDMN COCCCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000419387422 245399972 /nfs/dbraw/zinc/39/99/72/245399972.db2.gz QXYJASMXFCYDQW-LLVKDONJSA-N 0 1 343.811 2.934 20 5 EFBDMN COc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCCO ZINC000127739270 205116162 /nfs/dbraw/zinc/11/61/62/205116162.db2.gz DROAGMCRHYZTDP-CYBMUJFWSA-N 0 1 346.383 2.825 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@](C)(O)C1 ZINC000245855173 205160891 /nfs/dbraw/zinc/16/08/91/205160891.db2.gz DNJSBOYHFIEARY-BZNIZROVSA-N 0 1 332.360 2.553 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@](C)(O)C1 ZINC000245855177 205160909 /nfs/dbraw/zinc/16/09/09/205160909.db2.gz DNJSBOYHFIEARY-ZBEGNZNMSA-N 0 1 332.360 2.553 20 5 EFBDMN O=C(NCc1ccc(OC2CCCCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000129516791 205199269 /nfs/dbraw/zinc/19/92/69/205199269.db2.gz MXHFRBOCFJQXIN-UHFFFAOYSA-N 0 1 344.371 2.959 20 5 EFBDMN CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129840587 205213968 /nfs/dbraw/zinc/21/39/68/205213968.db2.gz YICDGLCBSHCINZ-SNVBAGLBSA-N 0 1 345.321 2.637 20 5 EFBDMN CC[C@@H](NC(=O)N1CCN2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000246823533 205235273 /nfs/dbraw/zinc/23/52/73/205235273.db2.gz ATKCSZCOMDKLNM-DLBZAZTESA-N 0 1 346.431 2.926 20 5 EFBDMN CCC[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000131881138 205307116 /nfs/dbraw/zinc/30/71/16/205307116.db2.gz WVLOPIYBAUSOQW-HNNXBMFYSA-N 0 1 335.404 2.733 20 5 EFBDMN Cc1[nH]nc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1[N+](=O)[O-] ZINC000264235210 246223067 /nfs/dbraw/zinc/22/30/67/246223067.db2.gz KNHMWORICANXHY-UHFFFAOYSA-N 0 1 347.331 2.585 20 5 EFBDMN C[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000158244120 206180071 /nfs/dbraw/zinc/18/00/71/206180071.db2.gz KXVJHYXQOAKOMS-MFKMUULPSA-N 0 1 345.321 2.799 20 5 EFBDMN COc1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000159016811 206220571 /nfs/dbraw/zinc/22/05/71/206220571.db2.gz QLBWLWZICNVXRE-CJNGLKHVSA-N 0 1 330.388 2.883 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000159010752 206221115 /nfs/dbraw/zinc/22/11/15/206221115.db2.gz WBTQXHSKUHDIMG-CJNGLKHVSA-N 0 1 330.388 2.883 20 5 EFBDMN CC[C@@H]1c2ccsc2CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159749224 206260524 /nfs/dbraw/zinc/26/05/24/206260524.db2.gz MSIYEGPXXFDPHN-CQSZACIVSA-N 0 1 333.413 2.827 20 5 EFBDMN COCC(C)(C)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000425502962 247111719 /nfs/dbraw/zinc/11/17/19/247111719.db2.gz HNQCSYAUAWPRMX-UHFFFAOYSA-N 0 1 341.839 2.791 20 5 EFBDMN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C2CCC2)CC1 ZINC000265060222 247171012 /nfs/dbraw/zinc/17/10/12/247171012.db2.gz YMGSFTUANUUOAG-UHFFFAOYSA-N 0 1 338.795 2.950 20 5 EFBDMN C[C@@H](Cc1cccc(O)c1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427630871 247375047 /nfs/dbraw/zinc/37/50/47/247375047.db2.gz VAYHSLYTTPWUOU-JTQLQIEISA-N 0 1 340.339 2.538 20 5 EFBDMN CN(CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000427679334 247383715 /nfs/dbraw/zinc/38/37/15/247383715.db2.gz PPHLVOREIQMTGE-UHFFFAOYSA-N 0 1 329.356 2.557 20 5 EFBDMN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000161678590 206363045 /nfs/dbraw/zinc/36/30/45/206363045.db2.gz YPTPBDUOGGLPTG-SNVBAGLBSA-N 0 1 342.359 2.740 20 5 EFBDMN C[C@](O)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000266155299 248134699 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CC[C@@H](C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000443939095 250237592 /nfs/dbraw/zinc/23/75/92/250237592.db2.gz XZEBZGROJHPOGD-KCJUWKMLSA-N 0 1 340.323 2.850 20 5 EFBDMN COc1cccc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)c1[N+](=O)[O-] ZINC000445164788 250391768 /nfs/dbraw/zinc/39/17/68/250391768.db2.gz WMKXYEZEFCTVRP-UHFFFAOYSA-N 0 1 339.311 2.641 20 5 EFBDMN CCS[C@@H]1CCCCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000171845764 206756123 /nfs/dbraw/zinc/75/61/23/206756123.db2.gz GPJQXPXTMPXESH-SNVBAGLBSA-N 0 1 326.422 2.628 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000174682539 207046126 /nfs/dbraw/zinc/04/61/26/207046126.db2.gz CVMUZAUOXOEORT-GUTXKFCHSA-N 0 1 349.456 2.771 20 5 EFBDMN O=C(c1ccc(F)cc1)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174870865 207067344 /nfs/dbraw/zinc/06/73/44/207067344.db2.gz ATYTUMJLRKGMHB-AWEZNQCLSA-N 0 1 346.362 2.525 20 5 EFBDMN CCO[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000449503069 251045785 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EFBDMN CO[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)C1 ZINC000449846207 251175873 /nfs/dbraw/zinc/17/58/73/251175873.db2.gz WOUPSCQEIOQAGI-YPMHNXCESA-N 0 1 345.359 2.524 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](c4ncc[nH]4)C3)nc2c1 ZINC000267625473 251202033 /nfs/dbraw/zinc/20/20/33/251202033.db2.gz RLRBPCATVFRGCF-LLVKDONJSA-N 0 1 327.344 2.839 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](c4ncc[nH]4)C3)nc2c1 ZINC000267625477 251202793 /nfs/dbraw/zinc/20/27/93/251202793.db2.gz RLRBPCATVFRGCF-NSHDSACASA-N 0 1 327.344 2.839 20 5 EFBDMN COc1ccc([C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000176245169 207207281 /nfs/dbraw/zinc/20/72/81/207207281.db2.gz MHIGNPLKCZWCOB-CQSZACIVSA-N 0 1 346.387 2.646 20 5 EFBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000177159251 207300099 /nfs/dbraw/zinc/30/00/99/207300099.db2.gz AYZYIXVBBIJQOT-GHMZBOCLSA-N 0 1 335.429 2.672 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000452947647 252011456 /nfs/dbraw/zinc/01/14/56/252011456.db2.gz XPUOCKOYFJAQMT-UHFFFAOYSA-N 0 1 331.376 2.692 20 5 EFBDMN Cc1nc(N2CCN(CCc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000268535196 252003329 /nfs/dbraw/zinc/00/33/29/252003329.db2.gz XYUJMMUUIJYNGY-UHFFFAOYSA-N 0 1 332.429 2.724 20 5 EFBDMN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-])CCC2 ZINC000268713147 252164396 /nfs/dbraw/zinc/16/43/96/252164396.db2.gz WAXJVHFTLWCMPM-JTQLQIEISA-N 0 1 349.416 2.795 20 5 EFBDMN CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000112700247 220377790 /nfs/dbraw/zinc/37/77/90/220377790.db2.gz FRRWSAFYPOCYEC-HNNXBMFYSA-N 0 1 333.432 2.969 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339758581 285154311 /nfs/dbraw/zinc/15/43/11/285154311.db2.gz MDXHFKQEXBENQF-JKSUJKDBSA-N 0 1 340.807 2.658 20 5 EFBDMN O=[N+]([O-])c1cnc(N[C@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000268899246 285182429 /nfs/dbraw/zinc/18/24/29/285182429.db2.gz ZRWGLLWZYCYIJM-JTQLQIEISA-N 0 1 338.165 2.965 20 5 EFBDMN CC(C)(O)CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000117106942 221030855 /nfs/dbraw/zinc/03/08/55/221030855.db2.gz ONHUGUUEEPRGAZ-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1Cl ZINC000183777016 533407423 /nfs/dbraw/zinc/40/74/23/533407423.db2.gz BLDGPRYKHAARCL-SNVBAGLBSA-N 0 1 339.754 2.900 20 5 EFBDMN COc1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000343508699 142009261 /nfs/dbraw/zinc/00/92/61/142009261.db2.gz JISKHKYXHPENDK-INIZCTEOSA-N 0 1 339.355 2.601 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000344446721 142018268 /nfs/dbraw/zinc/01/82/68/142018268.db2.gz KNJAHXIKJCGJJL-TXEJJXNPSA-N 0 1 339.823 2.732 20 5 EFBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000344455217 142019914 /nfs/dbraw/zinc/01/99/14/142019914.db2.gz XGPKDUJSSFGSNC-CQSZACIVSA-N 0 1 341.327 2.903 20 5 EFBDMN COC(=O)c1cc(C(=O)Nc2ccc3nc[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000344470386 142022938 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2.921 20 5 EFBDMN Cc1ccc(NCCCNC(=O)C(C)(C)c2cnc[nH]2)c([N+](=O)[O-])c1 ZINC000346436276 142204084 /nfs/dbraw/zinc/20/40/84/142204084.db2.gz NPKQSEJUJQDIAC-UHFFFAOYSA-N 0 1 345.403 2.522 20 5 EFBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000347527707 142230779 /nfs/dbraw/zinc/23/07/79/142230779.db2.gz QZJFLCWLCSHELG-UHFFFAOYSA-N 0 1 330.388 2.817 20 5 EFBDMN COc1cc([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000347545028 142233817 /nfs/dbraw/zinc/23/38/17/142233817.db2.gz UHHKHZIFRKTTGS-GFCCVEGCSA-N 0 1 344.371 2.596 20 5 EFBDMN COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000347568374 142237511 /nfs/dbraw/zinc/23/75/11/142237511.db2.gz VDWROYFCXNXDEE-RYUDHWBXSA-N 0 1 344.371 2.676 20 5 EFBDMN CC(=O)NCC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000347631076 142247734 /nfs/dbraw/zinc/24/77/34/142247734.db2.gz PCSHWNCBHSEYFD-CYBMUJFWSA-N 0 1 339.823 2.986 20 5 EFBDMN CCOc1cc(CN2CCC[C@H](CCNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000347687121 142256894 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Cc1cc(N2CCN(C)[C@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000343695061 145272891 /nfs/dbraw/zinc/27/28/91/145272891.db2.gz BMGKZXISNMVZQG-MRXNPFEDSA-N 0 1 326.400 2.661 20 5 EFBDMN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000343887778 145317933 /nfs/dbraw/zinc/31/79/33/145317933.db2.gz VUBHZMAHTIYODG-UHFFFAOYSA-N 0 1 345.336 2.649 20 5 EFBDMN O=C(CN1CCC[C@H](C2CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344058559 145357893 /nfs/dbraw/zinc/35/78/93/145357893.db2.gz KZAWXHFEFLZBOK-HNNXBMFYSA-N 0 1 329.400 2.606 20 5 EFBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000351749500 146194097 /nfs/dbraw/zinc/19/40/97/146194097.db2.gz VOMUNZBFPYRTHT-UHFFFAOYSA-N 0 1 345.340 2.947 20 5 EFBDMN COCc1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000351829942 146213568 /nfs/dbraw/zinc/21/35/68/146213568.db2.gz PWAJVKUSFPYMBW-UHFFFAOYSA-N 0 1 336.369 2.850 20 5 EFBDMN C[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000353069409 146389981 /nfs/dbraw/zinc/38/99/81/146389981.db2.gz AEBRAMJMFPFQMJ-ZWNOBZJWSA-N 0 1 327.344 2.921 20 5 EFBDMN C[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000353069408 146390076 /nfs/dbraw/zinc/39/00/76/146390076.db2.gz AEBRAMJMFPFQMJ-MFKMUULPSA-N 0 1 327.344 2.921 20 5 EFBDMN CC(=O)Nc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1C ZINC000355408067 146949310 /nfs/dbraw/zinc/94/93/10/146949310.db2.gz ATUKNMOGJRVAMG-UHFFFAOYSA-N 0 1 329.312 2.820 20 5 EFBDMN COCCOc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355651002 147023645 /nfs/dbraw/zinc/02/36/45/147023645.db2.gz IBUXYIITJYGFCH-UHFFFAOYSA-N 0 1 332.312 2.578 20 5 EFBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000355893694 147092601 /nfs/dbraw/zinc/09/26/01/147092601.db2.gz WPPKEYBAXNAJPQ-UHFFFAOYSA-N 0 1 332.259 2.813 20 5 EFBDMN COC(=O)COc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000356305582 147205864 /nfs/dbraw/zinc/20/58/64/147205864.db2.gz ZMQPRTABUAVHGT-KRWDZBQOSA-N 0 1 348.399 2.767 20 5 EFBDMN Cc1nc(-c2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2)n[nH]1 ZINC000356343947 147218614 /nfs/dbraw/zinc/21/86/14/147218614.db2.gz QDJFYIYOJSESLR-UHFFFAOYSA-N 0 1 339.311 2.646 20 5 EFBDMN O=C(Nc1ccnn1Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356363780 147224551 /nfs/dbraw/zinc/22/45/51/147224551.db2.gz PGZZZUVVSBTQKE-UHFFFAOYSA-N 0 1 338.323 2.798 20 5 EFBDMN O=C(NCCOc1cccc(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356456565 147248972 /nfs/dbraw/zinc/24/89/72/147248972.db2.gz GBHWDAGCKUDPSM-UHFFFAOYSA-N 0 1 336.731 2.763 20 5 EFBDMN COc1ccc2c(c1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC000356465476 147252307 /nfs/dbraw/zinc/25/23/07/147252307.db2.gz RTTQWDWNTOQORY-UHFFFAOYSA-N 0 1 328.324 2.508 20 5 EFBDMN COc1c(C(=O)Nc2ccccc2-c2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000356526769 147267928 /nfs/dbraw/zinc/26/79/28/147267928.db2.gz DXQFQQITRLVNGB-UHFFFAOYSA-N 0 1 339.311 2.641 20 5 EFBDMN O=C(NC[C@@H]1CCOc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356551785 147274511 /nfs/dbraw/zinc/27/45/11/147274511.db2.gz QNPPKJMIDQOGRQ-NSHDSACASA-N 0 1 328.324 2.597 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000356570467 147280340 /nfs/dbraw/zinc/28/03/40/147280340.db2.gz ARPFOEGZYGKWGI-KRWDZBQOSA-N 0 1 342.351 2.984 20 5 EFBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000356616977 147291454 /nfs/dbraw/zinc/29/14/54/147291454.db2.gz HEQFTIKLLRXILX-SECBINFHSA-N 0 1 335.389 2.706 20 5 EFBDMN COc1ccc(C[C@@H](C)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356733938 147322753 /nfs/dbraw/zinc/32/27/53/147322753.db2.gz VDSXUTXQTMHUDM-GFCCVEGCSA-N 0 1 344.367 2.918 20 5 EFBDMN CN(CCOCc1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356765930 147330596 /nfs/dbraw/zinc/33/05/96/147330596.db2.gz JGEHNEQTZVUTTN-UHFFFAOYSA-N 0 1 330.340 2.589 20 5 EFBDMN Cc1cnc([C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C2CC2)s1 ZINC000356771104 147330956 /nfs/dbraw/zinc/33/09/56/147330956.db2.gz VIUGBFWFIGIDED-ZDUSSCGKSA-N 0 1 333.369 2.946 20 5 EFBDMN CCC1(CC)[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)[C@H]1OC ZINC000356773017 147332071 /nfs/dbraw/zinc/33/20/71/147332071.db2.gz KAWZYMBXLIXUHL-VCTAVGKDSA-N 0 1 336.388 2.870 20 5 EFBDMN Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1C(=O)N(C)C ZINC000356776688 147332653 /nfs/dbraw/zinc/33/26/53/147332653.db2.gz PJBBEKDCWQYHIF-UHFFFAOYSA-N 0 1 343.339 2.563 20 5 EFBDMN CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356793534 147337521 /nfs/dbraw/zinc/33/75/21/147337521.db2.gz WAHNYCIVAZGMDM-DLBZAZTESA-N 0 1 342.351 2.985 20 5 EFBDMN CN1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc21 ZINC000356828915 147347540 /nfs/dbraw/zinc/34/75/40/147347540.db2.gz NLUSTQZDKPZGGM-UHFFFAOYSA-N 0 1 327.340 2.787 20 5 EFBDMN CCOc1cc(N2CCC[C@@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000356854692 147355097 /nfs/dbraw/zinc/35/50/97/147355097.db2.gz JWPQYVBAVVOXCO-GFCCVEGCSA-N 0 1 331.376 2.804 20 5 EFBDMN CCOc1cc(N2CCC[C@@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000356854692 147355098 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Cc1ccc(-c2n[nH]c(SCCn3ccc([N+](=O)[O-])n3)n2)cc1 ZINC000360385965 148348324 /nfs/dbraw/zinc/34/83/24/148348324.db2.gz UYBLCNQOUMYOIU-UHFFFAOYSA-N 0 1 330.373 2.677 20 5 EFBDMN Cc1c(CNC(=O)c2cccc(-c3nnc[nH]3)c2)cccc1[N+](=O)[O-] ZINC000360539023 148387707 /nfs/dbraw/zinc/38/77/07/148387707.db2.gz FGTYUAZJHDSYFE-UHFFFAOYSA-N 0 1 337.339 2.618 20 5 EFBDMN COc1ccc(-c2n[nH]c(CNc3ncc(C)cc3[N+](=O)[O-])n2)cc1 ZINC000361274634 148588246 /nfs/dbraw/zinc/58/82/46/148588246.db2.gz ZDJJGDKHRZMORL-UHFFFAOYSA-N 0 1 340.343 2.704 20 5 EFBDMN COc1ccc(-c2nc(CNc3ncc(C)cc3[N+](=O)[O-])n[nH]2)cc1 ZINC000361274634 148588248 /nfs/dbraw/zinc/58/82/48/148588248.db2.gz ZDJJGDKHRZMORL-UHFFFAOYSA-N 0 1 340.343 2.704 20 5 EFBDMN O=[N+]([O-])c1ccn(CCN2CCC(c3cccc(F)c3F)CC2)n1 ZINC000364202447 149091355 /nfs/dbraw/zinc/09/13/55/149091355.db2.gz KEEPHLWDKRRARH-UHFFFAOYSA-N 0 1 336.342 2.949 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@@H](C4CC4)C3)o2)c1 ZINC000368792786 150205100 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2.949 20 5 EFBDMN C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC12CCC2 ZINC000408088250 152150499 /nfs/dbraw/zinc/15/04/99/152150499.db2.gz PRHVOTQMEOROIP-AWEZNQCLSA-N 0 1 343.427 2.996 20 5 EFBDMN CC(C)NC(=O)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113320045 544568895 /nfs/dbraw/zinc/56/88/95/544568895.db2.gz VTYORJRSTKJZCB-UHFFFAOYSA-N 0 1 348.428 2.723 20 5 EFBDMN COCCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000191889120 265281136 /nfs/dbraw/zinc/28/11/36/265281136.db2.gz FLXSYQNDNPNKJJ-UHFFFAOYSA-N 0 1 336.369 2.585 20 5 EFBDMN CS[C@H]1CCCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269548967 265523285 /nfs/dbraw/zinc/52/32/85/265523285.db2.gz YYQIYGBZEVWOIU-JTQLQIEISA-N 0 1 326.422 2.799 20 5 EFBDMN CC[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271580062 266011507 /nfs/dbraw/zinc/01/15/07/266011507.db2.gz RSZIEMJHLVWUSS-GHMZBOCLSA-N 0 1 335.360 2.525 20 5 EFBDMN O=C(CN[C@H](CCCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000271833158 266073911 /nfs/dbraw/zinc/07/39/11/266073911.db2.gz UVPGJNJQZQGCOF-OAHLLOKOSA-N 0 1 343.383 2.637 20 5 EFBDMN CC(C)C[C@@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000271993008 266117198 /nfs/dbraw/zinc/11/71/98/266117198.db2.gz RJNNSARHVHHFQU-DGCLKSJQSA-N 0 1 346.387 2.795 20 5 EFBDMN O=C(Nc1ccc(N2CCCC2)cn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272510941 266290108 /nfs/dbraw/zinc/29/01/08/266290108.db2.gz GEJTYFWXZNUXPF-UHFFFAOYSA-N 0 1 328.328 2.548 20 5 EFBDMN C[C@H](O)[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000272570654 266311138 /nfs/dbraw/zinc/31/11/38/266311138.db2.gz VRYJFKLMCOLYFI-AAEUAGOBSA-N 0 1 333.413 2.921 20 5 EFBDMN CN1CC[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@H]2C1 ZINC000272579116 266313936 /nfs/dbraw/zinc/31/39/36/266313936.db2.gz GOCWKZPHDWLEGK-FZMZJTMJSA-N 0 1 345.424 2.976 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272623076 266329876 /nfs/dbraw/zinc/32/98/76/266329876.db2.gz MDYHUJDDJLLIMF-HEHGZKQESA-N 0 1 349.456 2.628 20 5 EFBDMN O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272644736 266338138 /nfs/dbraw/zinc/33/81/38/266338138.db2.gz FFPBKVAWAMPQLU-MRXNPFEDSA-N 0 1 342.351 2.544 20 5 EFBDMN C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272691434 266352784 /nfs/dbraw/zinc/35/27/84/266352784.db2.gz QLYQDQNQCYDMRY-NOZJJQNGSA-N 0 1 336.369 2.604 20 5 EFBDMN C[C@@H](O)C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000272693230 266353094 /nfs/dbraw/zinc/35/30/94/266353094.db2.gz RAAUXSNNRMVVHE-IUODEOHRSA-N 0 1 344.367 2.585 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2Cc3ccccc3OC[C@@H]2C)c1[N+](=O)[O-] ZINC000272793436 266384250 /nfs/dbraw/zinc/38/42/50/266384250.db2.gz DURYSQCYQZIQRP-NSHDSACASA-N 0 1 344.371 2.865 20 5 EFBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCCCS1 ZINC000273047908 266443507 /nfs/dbraw/zinc/44/35/07/266443507.db2.gz HJDZPEHORAINFT-LLVKDONJSA-N 0 1 333.373 2.604 20 5 EFBDMN Cc1[nH]nc(C(=O)N(Cc2c(F)cccc2F)C2CC2)c1[N+](=O)[O-] ZINC000276699688 267037390 /nfs/dbraw/zinc/03/73/90/267037390.db2.gz NDOJYPIEGKVWSJ-UHFFFAOYSA-N 0 1 336.298 2.709 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000277671775 267228287 /nfs/dbraw/zinc/22/82/87/267228287.db2.gz AFNLUOQVRCHSTQ-ZDUSSCGKSA-N 0 1 339.823 2.715 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277747012 267251911 /nfs/dbraw/zinc/25/19/11/267251911.db2.gz LFYPFISDLXKGSV-BXUZGUMPSA-N 0 1 348.321 2.609 20 5 EFBDMN CCC[C@]1(CO)CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000277808194 267269003 /nfs/dbraw/zinc/26/90/03/267269003.db2.gz PWVDRUHEWDCIHF-QGZVFWFLSA-N 0 1 336.388 2.588 20 5 EFBDMN CCC[C@@]1(CO)CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000277821239 267272204 /nfs/dbraw/zinc/27/22/04/267272204.db2.gz QXODHVGIPAUSLQ-KRWDZBQOSA-N 0 1 346.387 2.772 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000277834953 267275499 /nfs/dbraw/zinc/27/54/99/267275499.db2.gz MMCYSRUNFKBWAM-BDAKNGLRSA-N 0 1 335.339 2.857 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000277860677 267282187 /nfs/dbraw/zinc/28/21/87/267282187.db2.gz OBZWGMVPRBPFHC-IUCAKERBSA-N 0 1 335.339 2.857 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])n[nH]1 ZINC000277997494 267317394 /nfs/dbraw/zinc/31/73/94/267317394.db2.gz WQKVXALHFIIUGZ-BDAKNGLRSA-N 0 1 349.395 2.564 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])n[nH]1 ZINC000277997502 267317941 /nfs/dbraw/zinc/31/79/41/267317941.db2.gz WQKVXALHFIIUGZ-IUCAKERBSA-N 0 1 349.395 2.564 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(OC)ccc2[N+](=O)[O-])n[nH]1 ZINC000278025427 267323329 /nfs/dbraw/zinc/32/33/29/267323329.db2.gz YGCDRKCBWOHMNG-ZJUUUORDSA-N 0 1 347.375 2.726 20 5 EFBDMN CCC[C@@]1(COC)CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000278084255 267337315 /nfs/dbraw/zinc/33/73/15/267337315.db2.gz OIUUTSYAHPAENG-INIZCTEOSA-N 0 1 338.408 2.863 20 5 EFBDMN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000184608592 273049614 /nfs/dbraw/zinc/04/96/14/273049614.db2.gz HGVVCTRVOUFGDQ-HNNXBMFYSA-N 0 1 347.371 2.802 20 5 EFBDMN CCC[C@@H]1CN(c2cccc(OC)c2[N+](=O)[O-])CCN1CCOC ZINC000185653898 273050716 /nfs/dbraw/zinc/05/07/16/273050716.db2.gz VFORAQVFGJASNK-CQSZACIVSA-N 0 1 337.420 2.541 20 5 EFBDMN Cc1ccc([C@@H]2COCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])o1 ZINC000269482794 273081217 /nfs/dbraw/zinc/08/12/17/273081217.db2.gz WKTZKZDISVIYPW-NSHDSACASA-N 0 1 348.359 2.556 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000269503290 273081857 /nfs/dbraw/zinc/08/18/57/273081857.db2.gz BNKJLHKJYWMJBD-SNVBAGLBSA-N 0 1 332.360 2.980 20 5 EFBDMN CN(CCOc1ccccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269666911 273087949 /nfs/dbraw/zinc/08/79/49/273087949.db2.gz MJWUIMIWQICBHY-INIZCTEOSA-N 0 1 334.347 2.778 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000270611711 273095329 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/nfs/dbraw/zinc/04/54/05/274045405.db2.gz OOAASYORPMURNU-OAHLLOKOSA-N 0 1 341.358 2.787 20 5 EFBDMN CC(C)CN1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2C1 ZINC000285890777 274095032 /nfs/dbraw/zinc/09/50/32/274095032.db2.gz XMHAEXKJVHMGHT-UHFFFAOYSA-N 0 1 329.360 2.542 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCCC[C@@H]1C[C@H](C)O ZINC000286065011 274126334 /nfs/dbraw/zinc/12/63/34/274126334.db2.gz RQKPUWOIRGRODG-LSDHHAIUSA-N 0 1 349.431 2.857 20 5 EFBDMN CCOC[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000286157595 274144491 /nfs/dbraw/zinc/14/44/91/274144491.db2.gz NXXAERCJEYMGHD-CQSZACIVSA-N 0 1 334.376 2.796 20 5 EFBDMN C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000413156850 274226571 /nfs/dbraw/zinc/22/65/71/274226571.db2.gz SOIRVDKKMCCAHT-ZDUSSCGKSA-N 0 1 330.388 2.523 20 5 EFBDMN Cc1noc(C)c1C(C)(C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286695603 274253293 /nfs/dbraw/zinc/25/32/93/274253293.db2.gz PSHZHIIVQTXITG-UHFFFAOYSA-N 0 1 343.343 2.741 20 5 EFBDMN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H](N2CC=CC2)C1 ZINC000289311659 274739539 /nfs/dbraw/zinc/73/95/39/274739539.db2.gz AQKCBIMMPXJFTO-NSHDSACASA-N 0 1 336.779 2.726 20 5 EFBDMN O=[N+]([O-])c1cnc(N2CCN(C3CCC3)CC2)c(C(F)(F)F)c1 ZINC000413130983 275040825 /nfs/dbraw/zinc/04/08/25/275040825.db2.gz DHPWJYDRYLDFPU-UHFFFAOYSA-N 0 1 330.310 2.683 20 5 EFBDMN O=[N+]([O-])c1cnc(N2CCN(CC3CC3)CC2)c(C(F)(F)F)c1 ZINC000413071596 275040940 /nfs/dbraw/zinc/04/09/40/275040940.db2.gz NODAAOIFGUUAET-UHFFFAOYSA-N 0 1 330.310 2.541 20 5 EFBDMN CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)O ZINC000268563214 276003046 /nfs/dbraw/zinc/00/30/46/276003046.db2.gz OTBHBWLCKVLKMA-UHFFFAOYSA-N 0 1 334.376 2.628 20 5 EFBDMN CCN1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000362348858 276203393 /nfs/dbraw/zinc/20/33/93/276203393.db2.gz OBQQFUHKMMZMGO-UHFFFAOYSA-N 0 1 330.363 2.938 20 5 EFBDMN COCCCNC(=O)C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266528449 277208025 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CCCNC(=O)C1(NCc2cc([N+](=O)[O-])ccc2OC)CCCCC1 ZINC000132325311 293223781 /nfs/dbraw/zinc/22/37/81/293223781.db2.gz YNCGOWOWIUJWSF-UHFFFAOYSA-N 0 1 349.431 2.922 20 5 EFBDMN COCCOCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000290288313 294048467 /nfs/dbraw/zinc/04/84/67/294048467.db2.gz ZVPUGTSKKPEPKR-UHFFFAOYSA-N 0 1 334.372 2.950 20 5 EFBDMN CC1(C)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1[C@@H]1CCCO1 ZINC000290529200 294111916 /nfs/dbraw/zinc/11/19/16/294111916.db2.gz HSAKUDLYZKINBF-ZFWWWQNUSA-N 0 1 344.371 2.501 20 5 EFBDMN O=C(NC1(Cc2ccc(Cl)cc2)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000293737074 295038379 /nfs/dbraw/zinc/03/83/79/295038379.db2.gz KZPHJRXHPCNYMX-UHFFFAOYSA-N 0 1 334.763 2.867 20 5 EFBDMN CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccncc1 ZINC000293790214 295049947 /nfs/dbraw/zinc/04/99/47/295049947.db2.gz FMQQBODMIPFKHD-HNNXBMFYSA-N 0 1 327.340 2.919 20 5 EFBDMN COc1ccncc1CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000294090310 295109397 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CC[C@H](C)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000295281640 295292499 /nfs/dbraw/zinc/29/24/99/295292499.db2.gz BJWNNUGQMBEUIJ-ZDUSSCGKSA-N 0 1 345.403 2.561 20 5 EFBDMN CC[C@@H](C)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000295281636 295292610 /nfs/dbraw/zinc/29/26/10/295292610.db2.gz BJWNNUGQMBEUIJ-CYBMUJFWSA-N 0 1 345.403 2.561 20 5 EFBDMN C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN(C2CC2)C1 ZINC000295296972 295295827 /nfs/dbraw/zinc/29/58/27/295295827.db2.gz JBKAZJXUODNABU-GFCCVEGCSA-N 0 1 343.383 2.897 20 5 EFBDMN CC(C)N(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1COC1 ZINC000295305700 295297471 /nfs/dbraw/zinc/29/74/71/295297471.db2.gz FQKQIASEJONSMC-UHFFFAOYSA-N 0 1 331.372 2.902 20 5 EFBDMN CCOC1CC(N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000295425209 295318437 /nfs/dbraw/zinc/31/84/37/295318437.db2.gz VJWUYTVKORZVFJ-UHFFFAOYSA-N 0 1 344.371 2.624 20 5 EFBDMN CC(C)c1ccc(C(=O)NCc2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000295451229 295322884 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CC(C)CN1CCO[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301799601 311159134 /nfs/dbraw/zinc/15/91/34/311159134.db2.gz SGACONQRTBEGJG-GFCCVEGCSA-N 0 1 329.347 2.642 20 5 EFBDMN COc1cc(NC[C@H]2CN(CC(C)C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301970340 311169460 /nfs/dbraw/zinc/16/94/60/311169460.db2.gz RHYAJPYWZXOGBS-LBPRGKRZSA-N 0 1 341.383 2.511 20 5 EFBDMN CCOCCN1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302032101 311173530 /nfs/dbraw/zinc/17/35/30/311173530.db2.gz SLPJOARQHWIQJD-UHFFFAOYSA-N 0 1 344.415 2.610 20 5 EFBDMN Cc1ccnc(N2CCC(CCCN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000302040670 311174295 /nfs/dbraw/zinc/17/42/95/311174295.db2.gz RKDNFCQQGPAFAZ-UHFFFAOYSA-N 0 1 348.447 2.627 20 5 EFBDMN O=[N+]([O-])c1ccccc1N1CCC(CCCN2CCOCC2)CC1 ZINC000302048990 311174782 /nfs/dbraw/zinc/17/47/82/311174782.db2.gz WJVVNPOMVFPRTF-UHFFFAOYSA-N 0 1 333.432 2.924 20 5 EFBDMN O=[N+]([O-])c1cnc(NC2CCN(Cc3ccc(F)cc3)CC2)nc1 ZINC000302150820 311180747 /nfs/dbraw/zinc/18/07/47/311180747.db2.gz 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C[C@H](O)[C@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000305653062 311223730 /nfs/dbraw/zinc/22/37/30/311223730.db2.gz OKPQTZHCRPUGOO-OBJOEFQTSA-N 0 1 346.387 2.799 20 5 EFBDMN Cc1cc(C(=O)N2CCNC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000313370488 311232158 /nfs/dbraw/zinc/23/21/58/311232158.db2.gz GOCRKGHMXHWTRA-QGZVFWFLSA-N 0 1 325.368 2.690 20 5 EFBDMN C[C@H]1CCCC[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319570143 311236893 /nfs/dbraw/zinc/23/68/93/311236893.db2.gz STFITTPLGMWBDM-QWRGUYRKSA-N 0 1 330.381 2.839 20 5 EFBDMN C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000324167382 311241179 /nfs/dbraw/zinc/24/11/79/311241179.db2.gz FGMWJMYAUVCRBD-MLGOLLRUSA-N 0 1 330.388 2.512 20 5 EFBDMN CCN1C[C@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C1 ZINC000330813860 311336435 /nfs/dbraw/zinc/33/64/35/311336435.db2.gz FOKJKTMIKVWYLH-STQMWFEESA-N 0 1 345.403 2.559 20 5 EFBDMN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 ZINC000331583508 311393322 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EFBDMN CCc1[nH]nc(C(=O)N2CC(CC)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000458218721 313085256 /nfs/dbraw/zinc/08/52/56/313085256.db2.gz GPETVGAZYGQUAF-UHFFFAOYSA-N 0 1 328.372 2.684 20 5 EFBDMN C[C@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)[N@H+]1CCC[C@H](C)C1 ZINC000486937391 313350130 /nfs/dbraw/zinc/35/01/30/313350130.db2.gz MFVNXNDBWMLPMG-QWHCGFSZSA-N 0 1 345.403 2.599 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000487160384 313371459 /nfs/dbraw/zinc/37/14/59/313371459.db2.gz XZBCFXOGUIFIMG-CJNGLKHVSA-N 0 1 334.420 2.637 20 5 EFBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000492520528 314022644 /nfs/dbraw/zinc/02/26/44/314022644.db2.gz NEOCQHRPGQFVLM-NLZINVLXSA-N 0 1 349.350 2.632 20 5 EFBDMN CCN(CCNC(=O)Nc1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000492938528 314184475 /nfs/dbraw/zinc/18/44/75/314184475.db2.gz UVPUDFYUPWYGMC-UHFFFAOYSA-N 0 1 348.325 2.991 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1c1nnc[nH]1 ZINC000493082225 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343.387 2.716 20 5 EFBDMN CN1c2ccccc2N(Cc2cc(O)ccc2[N+](=O)[O-])CCC1=O ZINC000559144237 318503636 /nfs/dbraw/zinc/50/36/36/318503636.db2.gz LVIXTESMCZCHOD-UHFFFAOYSA-N 0 1 327.340 2.674 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000566007123 319022807 /nfs/dbraw/zinc/02/28/07/319022807.db2.gz GQKGFKIIXMTVPW-LSDHHAIUSA-N 0 1 347.415 2.733 20 5 EFBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000566074115 319028709 /nfs/dbraw/zinc/02/87/09/319028709.db2.gz MAPNUTQALMLBLL-IAGOWNOFSA-N 0 1 326.352 2.895 20 5 EFBDMN CC(C)[N@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000566272477 319055570 /nfs/dbraw/zinc/05/55/70/319055570.db2.gz AOAWSSDOZGKLBW-UHFFFAOYSA-N 0 1 341.795 2.510 20 5 EFBDMN O=C1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1c1ccccc1 ZINC000566630364 319096890 /nfs/dbraw/zinc/09/68/90/319096890.db2.gz JUPXWZOQLPDOJQ-SUMWQHHRSA-N 0 1 337.379 2.977 20 5 EFBDMN Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1C[NH+](C)C 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O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OC(F)F)c2)cc1 ZINC000055598514 472209508 /nfs/dbraw/zinc/20/95/08/472209508.db2.gz WGJVGJRVEPWMFB-UHFFFAOYSA-N 0 1 344.295 2.997 20 5 EFBDMN COCc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000055595306 472209833 /nfs/dbraw/zinc/20/98/33/472209833.db2.gz XPZSZHKGNCVQMQ-UHFFFAOYSA-N 0 1 336.369 2.850 20 5 EFBDMN O=C(NCCc1cccc(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000028064447 472211676 /nfs/dbraw/zinc/21/16/76/472211676.db2.gz XHVFJCMUYCOAGP-UHFFFAOYSA-N 0 1 328.303 2.583 20 5 EFBDMN Cc1cccc(OCCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000028064065 472212274 /nfs/dbraw/zinc/21/22/74/472212274.db2.gz JXLMHERHYHCQCC-UHFFFAOYSA-N 0 1 340.339 2.588 20 5 EFBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000085357951 472237761 /nfs/dbraw/zinc/23/77/61/472237761.db2.gz SPFMAEDOAGBKKT-UHFFFAOYSA-N 0 1 343.318 2.974 20 5 EFBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)Nc1cccc([N+](=O)[O-])c1 ZINC000085357938 472237901 /nfs/dbraw/zinc/23/79/01/472237901.db2.gz OQPDVFCRPRBDIS-UHFFFAOYSA-N 0 1 343.318 2.974 20 5 EFBDMN O=C(NCc1cccc2cccnc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000068793893 472244217 /nfs/dbraw/zinc/24/42/17/472244217.db2.gz QAVXPRRHJPMVHJ-UHFFFAOYSA-N 0 1 347.334 2.949 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000085490041 472254718 /nfs/dbraw/zinc/25/47/18/472254718.db2.gz YNDTWJXIGLCSDO-CYBMUJFWSA-N 0 1 342.355 2.504 20 5 EFBDMN CN1CCN(C[C@H](Nc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000068910713 472264013 /nfs/dbraw/zinc/26/40/13/472264013.db2.gz GXCOQXCKXDRPFF-SFHVURJKSA-N 0 1 340.427 2.995 20 5 EFBDMN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CCCCC1 ZINC000029523845 472279037 /nfs/dbraw/zinc/27/90/37/472279037.db2.gz HXAPSIAYEUECPI-UHFFFAOYSA-N 0 1 331.416 2.996 20 5 EFBDMN O=[N+]([O-])c1ccc(NCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000029618856 472285776 /nfs/dbraw/zinc/28/57/76/472285776.db2.gz FMAACWYYACQBEN-UHFFFAOYSA-N 0 1 344.390 2.968 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc(CN(C[C@H]3CCOC3)C3CC3)n2)cc1 ZINC000044977541 472362086 /nfs/dbraw/zinc/36/20/86/472362086.db2.gz AHVSSHCOWMRGSK-GFCCVEGCSA-N 0 1 344.371 2.646 20 5 EFBDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)nc2)ccc1[N+](=O)[O-] ZINC000076579845 472371046 /nfs/dbraw/zinc/37/10/46/472371046.db2.gz WOIGQRRXQGLQOH-UHFFFAOYSA-N 0 1 341.415 2.662 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000076654231 472381497 /nfs/dbraw/zinc/38/14/97/472381497.db2.gz PQJMNYXOXSYDSQ-BXKDBHETSA-N 0 1 332.335 2.784 20 5 EFBDMN C[C@H](c1ccccc1)[C@H](CO)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000613388727 479984601 /nfs/dbraw/zinc/98/46/01/479984601.db2.gz CUFRYTQCJZLMQH-WBMJQRKESA-N 0 1 341.367 2.990 20 5 EFBDMN C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)N1 ZINC000154236656 472405672 /nfs/dbraw/zinc/40/56/72/472405672.db2.gz WPJIFUKSXAUGON-PHIMTYICSA-N 0 1 346.412 2.541 20 5 EFBDMN CC1(C)[C@H](O)C[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000128213433 472419787 /nfs/dbraw/zinc/41/97/87/472419787.db2.gz IRJRLBZOIGWGLL-NWDGAFQWSA-N 0 1 329.194 2.606 20 5 EFBDMN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000128212978 472420010 /nfs/dbraw/zinc/42/00/10/472420010.db2.gz IRJRLBZOIGWGLL-RYUDHWBXSA-N 0 1 329.194 2.606 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000032732674 472459213 /nfs/dbraw/zinc/45/92/13/472459213.db2.gz IYKYBGTZMXCUKQ-INIZCTEOSA-N 0 1 331.347 2.767 20 5 EFBDMN Cc1ccc([C@H](C)NCC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000128575844 472470339 /nfs/dbraw/zinc/47/03/39/472470339.db2.gz UJZAQUIMQWHSKA-AWEZNQCLSA-N 0 1 327.384 2.870 20 5 EFBDMN CSCCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000155143702 472512910 /nfs/dbraw/zinc/51/29/10/472512910.db2.gz QVDQXYAZWJZDGB-UHFFFAOYSA-N 0 1 335.389 2.852 20 5 EFBDMN COc1ccc(NC(=O)CNC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000077378286 472515104 /nfs/dbraw/zinc/51/51/04/472515104.db2.gz QAHVJFJJWJQQGC-UHFFFAOYSA-N 0 1 341.367 2.821 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H](CCO)C3)co2)cc1 ZINC000089893168 472537134 /nfs/dbraw/zinc/53/71/34/472537134.db2.gz CEMXQSHHPAEKPF-CYBMUJFWSA-N 0 1 331.372 2.844 20 5 EFBDMN Cc1cc([C@@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)no1 ZINC000046354920 472547156 /nfs/dbraw/zinc/54/71/56/472547156.db2.gz ODCXHZXRYRXGOI-AWEZNQCLSA-N 0 1 341.327 2.745 20 5 EFBDMN C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119787786 472582209 /nfs/dbraw/zinc/58/22/09/472582209.db2.gz NDJYPFLOXLBFEV-GXTWGEPZSA-N 0 1 347.415 2.683 20 5 EFBDMN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000102676862 472588136 /nfs/dbraw/zinc/58/81/36/472588136.db2.gz FJTPBWOQIZPFJF-LLVKDONJSA-N 0 1 343.339 2.613 20 5 EFBDMN CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068427 472589395 /nfs/dbraw/zinc/58/93/95/472589395.db2.gz BMGYDTVNASEWBL-STQMWFEESA-N 0 1 345.321 2.799 20 5 EFBDMN Cn1ccc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000078001560 472651010 /nfs/dbraw/zinc/65/10/10/472651010.db2.gz 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O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2ccccc2CC1 ZINC000116217737 473639230 /nfs/dbraw/zinc/63/92/30/473639230.db2.gz KHXWSZXDEQECTA-UHFFFAOYSA-N 0 1 336.351 2.712 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000179413127 473685690 /nfs/dbraw/zinc/68/56/90/473685690.db2.gz MUEXEDRNIWUBNH-RYUDHWBXSA-N 0 1 337.420 2.947 20 5 EFBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000179413114 473685785 /nfs/dbraw/zinc/68/57/85/473685785.db2.gz MUEXEDRNIWUBNH-NEPJUHHUSA-N 0 1 337.420 2.947 20 5 EFBDMN NC(=O)c1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192632776 473698133 /nfs/dbraw/zinc/69/81/33/473698133.db2.gz CZUBKBVTOMFSCO-QGZVFWFLSA-N 0 1 325.368 2.861 20 5 EFBDMN CC(C)(C)c1csc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000269191496 473726633 /nfs/dbraw/zinc/72/66/33/473726633.db2.gz OJCWEVMIYVUWTM-UHFFFAOYSA-N 0 1 335.385 2.984 20 5 EFBDMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269197201 473729211 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EFBDMN C[C@@H](NCC(=O)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173392432 473825115 /nfs/dbraw/zinc/82/51/15/473825115.db2.gz POQWECDGZGRMML-GFCCVEGCSA-N 0 1 345.424 2.892 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cc(Cl)cn2C)c1[N+](=O)[O-] ZINC000269551860 473830399 /nfs/dbraw/zinc/83/03/99/473830399.db2.gz XZGAGZPZBZMZLK-UHFFFAOYSA-N 0 1 339.783 2.705 20 5 EFBDMN CO[C@]1(C)C[C@@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1(C)C ZINC000269556899 473832967 /nfs/dbraw/zinc/83/29/67/473832967.db2.gz ZLDCXKNUDLWSOI-QLJPJBMISA-N 0 1 338.408 2.717 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000263765879 473840367 /nfs/dbraw/zinc/84/03/67/473840367.db2.gz ZRGXTCGXNNXKRJ-UHFFFAOYSA-N 0 1 346.362 2.860 20 5 EFBDMN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000269692368 473863668 /nfs/dbraw/zinc/86/36/68/473863668.db2.gz VPRXNXXXGJDPBO-ROUUACIJSA-N 0 1 346.383 2.902 20 5 EFBDMN Cc1cccc(CNC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180430076 473875296 /nfs/dbraw/zinc/87/52/96/473875296.db2.gz NAGUNMWGQDEXLJ-CQSZACIVSA-N 0 1 327.384 2.870 20 5 EFBDMN CN(CCc1cccs1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000173758356 473925895 /nfs/dbraw/zinc/92/58/95/473925895.db2.gz QHRSYLBGNYQMFN-INIZCTEOSA-N 0 1 345.424 2.936 20 5 EFBDMN CCOc1cccc(N2CCC[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000282158086 473964183 /nfs/dbraw/zinc/96/41/83/473964183.db2.gz CRJGHMYZBMJZOM-OAHLLOKOSA-N 0 1 349.431 2.542 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000188154033 474002142 /nfs/dbraw/zinc/00/21/42/474002142.db2.gz SDNHUMYVEPGJFE-QMMMGPOBSA-N 0 1 338.314 2.992 20 5 EFBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000181505991 474042499 /nfs/dbraw/zinc/04/24/99/474042499.db2.gz SSKNVHNTCDGRBZ-NEPJUHHUSA-N 0 1 329.356 2.978 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1cccc(O)c1 ZINC000181533909 474045217 /nfs/dbraw/zinc/04/52/17/474045217.db2.gz SCQMINZRHYYNAJ-LBPRGKRZSA-N 0 1 329.356 2.898 20 5 EFBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(O)c1 ZINC000181535555 474045839 /nfs/dbraw/zinc/04/58/39/474045839.db2.gz ROCCYFYELOIXJW-GFCCVEGCSA-N 0 1 341.367 2.540 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CCOC1 ZINC000247147650 474076328 /nfs/dbraw/zinc/07/63/28/474076328.db2.gz UCNIGMZVYJKQCS-NWDGAFQWSA-N 0 1 332.360 2.674 20 5 EFBDMN NC(=O)C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000182020303 474082193 /nfs/dbraw/zinc/08/21/93/474082193.db2.gz OQYJMPDWRDCYBF-CYBMUJFWSA-N 0 1 346.387 2.650 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)c1[N+](=O)[O-] ZINC000188436239 474093659 /nfs/dbraw/zinc/09/36/59/474093659.db2.gz UKIYZFWXTDWUKD-MRVPVSSYSA-N 0 1 337.405 2.787 20 5 EFBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1N1CCCC1 ZINC000174812205 474100378 /nfs/dbraw/zinc/10/03/78/474100378.db2.gz PAEPGNXVYZDHPP-UHFFFAOYSA-N 0 1 329.404 2.524 20 5 EFBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCN1 ZINC000188476188 474105516 /nfs/dbraw/zinc/10/55/16/474105516.db2.gz RWWCXTJORJCAIG-CYBMUJFWSA-N 0 1 341.367 2.821 20 5 EFBDMN CCCCN(CCCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182159243 474111880 /nfs/dbraw/zinc/11/18/80/474111880.db2.gz VBAPVTXLQBMBAL-UHFFFAOYSA-N 0 1 343.811 2.671 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CCN(CCc3ccccc3)CC2)cc1 ZINC000247347139 474126204 /nfs/dbraw/zinc/12/62/04/474126204.db2.gz UXSSMLVGALNASW-UHFFFAOYSA-N 0 1 325.412 2.955 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCc3c(C)cc(C)cc3C2)c1[N+](=O)[O-] ZINC000188649568 474153489 /nfs/dbraw/zinc/15/34/89/474153489.db2.gz XULGWEHZTONULZ-UHFFFAOYSA-N 0 1 328.372 2.696 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCSC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000265262702 474171513 /nfs/dbraw/zinc/17/15/13/474171513.db2.gz SORHQMCQXDPJGN-LBPRGKRZSA-N 0 1 332.385 2.557 20 5 EFBDMN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1F ZINC000270565982 474172042 /nfs/dbraw/zinc/17/20/42/474172042.db2.gz MAPQYRWJIKYRSG-UHFFFAOYSA-N 0 1 333.363 2.806 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n[nH]1 ZINC000270597865 474184996 /nfs/dbraw/zinc/18/49/96/474184996.db2.gz COXHXFZSJUWRNI-SECBINFHSA-N 0 1 342.359 2.809 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n[nH]1 ZINC000270657668 474208388 /nfs/dbraw/zinc/20/83/88/474208388.db2.gz JTZNGGMUYWCDAT-JTQLQIEISA-N 0 1 332.364 2.775 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000270658687 474208699 /nfs/dbraw/zinc/20/86/99/474208699.db2.gz JWDCXJPLUCHDRA-MNOVXSKESA-N 0 1 346.391 2.958 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H](CO)C3CCCC3)co2)cc1 ZINC000289419968 474261385 /nfs/dbraw/zinc/26/13/85/474261385.db2.gz CCDSVMYSURERPN-INIZCTEOSA-N 0 1 331.372 2.891 20 5 EFBDMN Cc1c(CC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000270798854 474270287 /nfs/dbraw/zinc/27/02/87/474270287.db2.gz WDHLISDIDGSGHZ-NSHDSACASA-N 0 1 331.376 2.565 20 5 EFBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000289490441 474294683 /nfs/dbraw/zinc/29/46/83/474294683.db2.gz JAIREVRYEKUKGT-IKGGRYGDSA-N 0 1 332.400 2.662 20 5 EFBDMN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000289523988 474308411 /nfs/dbraw/zinc/30/84/11/474308411.db2.gz BGOBDEVCEHKBAD-UHFFFAOYSA-N 0 1 332.141 2.794 20 5 EFBDMN CCCC(O)(CCC)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265738889 474316419 /nfs/dbraw/zinc/31/64/19/474316419.db2.gz FNRNTVLLSBQJHH-UHFFFAOYSA-N 0 1 334.376 2.532 20 5 EFBDMN COC(=O)COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183062140 474318599 /nfs/dbraw/zinc/31/85/99/474318599.db2.gz HZQPIXZCDVZSFO-UHFFFAOYSA-N 0 1 344.367 2.779 20 5 EFBDMN COCCO[C@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000275889806 474353003 /nfs/dbraw/zinc/35/30/03/474353003.db2.gz XSLHFJZRQCSPAK-AWEZNQCLSA-N 0 1 331.372 2.693 20 5 EFBDMN CC(C)(C)CNC(=O)C(C)(C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000283276736 474357993 /nfs/dbraw/zinc/35/79/93/474357993.db2.gz WYNPUJHPDDWNHQ-UHFFFAOYSA-N 0 1 325.384 2.764 20 5 EFBDMN CC1(C)[C@H](O)C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000189324814 474359974 /nfs/dbraw/zinc/35/99/74/474359974.db2.gz ROUKGUQHNQGBLN-UONOGXRCSA-N 0 1 333.413 2.967 20 5 EFBDMN O=C(CCN1CCOCC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000283324390 474370825 /nfs/dbraw/zinc/37/08/25/474370825.db2.gz OXNQFZKDOPKYEF-UHFFFAOYSA-N 0 1 333.388 2.568 20 5 EFBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000189360265 474372220 /nfs/dbraw/zinc/37/22/20/474372220.db2.gz RPPAJKGKZULQAZ-QMMMGPOBSA-N 0 1 342.277 2.870 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1 ZINC000176128747 474390511 /nfs/dbraw/zinc/39/05/11/474390511.db2.gz SLJBKUFGAHHNIL-UHFFFAOYSA-N 0 1 328.303 2.849 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000176153399 474397266 /nfs/dbraw/zinc/39/72/66/474397266.db2.gz ZZPGGZOKGIBDJE-UHFFFAOYSA-N 0 1 342.330 2.891 20 5 EFBDMN Cc1cc([C@H]2CCCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000283456671 474408974 /nfs/dbraw/zinc/40/89/74/474408974.db2.gz HTAJJCNDTTZAQF-ZDUSSCGKSA-N 0 1 328.372 2.955 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC000283475558 474412528 /nfs/dbraw/zinc/41/25/28/474412528.db2.gz JXHJUTWJXLQJNO-ZDUSSCGKSA-N 0 1 339.823 2.797 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCS[C@H]2CCCC[C@@H]21 ZINC000176235513 474416921 /nfs/dbraw/zinc/41/69/21/474416921.db2.gz QNBIZEJMWPGFRW-KBPBESRZSA-N 0 1 346.412 2.971 20 5 EFBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1COC[C@H]1O ZINC000289777681 474422808 /nfs/dbraw/zinc/42/28/08/474422808.db2.gz RNFCUUAGTPHFNL-HUUCEWRRSA-N 0 1 334.397 2.515 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CCOCCO)C(C)C ZINC000283633470 474453538 /nfs/dbraw/zinc/45/35/38/474453538.db2.gz BTEOTBBDDCKFQN-UHFFFAOYSA-N 0 1 340.420 2.601 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000283644295 474456725 /nfs/dbraw/zinc/45/67/25/474456725.db2.gz NXTSXRYYRKRURR-HNNXBMFYSA-N 0 1 343.387 2.579 20 5 EFBDMN COc1cc(CN(CCCO)CC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000184210753 474486593 /nfs/dbraw/zinc/48/65/93/474486593.db2.gz GISXJPJGPSNZGB-UHFFFAOYSA-N 0 1 328.384 2.973 20 5 EFBDMN C[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266851016 474504200 /nfs/dbraw/zinc/50/42/00/474504200.db2.gz IUXQUSQEBMZHGK-CQSZACIVSA-N 0 1 348.424 2.860 20 5 EFBDMN CCN1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000276375029 474516361 /nfs/dbraw/zinc/51/63/61/474516361.db2.gz XSCOOAPXIJCQOQ-UHFFFAOYSA-N 0 1 328.372 2.510 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000266907275 474525881 /nfs/dbraw/zinc/52/58/81/474525881.db2.gz BNVLPUBRLHZGHM-JSGCOSHPSA-N 0 1 342.399 2.974 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000266907279 474526049 /nfs/dbraw/zinc/52/60/49/474526049.db2.gz BNVLPUBRLHZGHM-TZMCWYRMSA-N 0 1 342.399 2.974 20 5 EFBDMN C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266926877 474533762 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COc1cc(CNc2nnc(C(F)F)s2)cc([N+](=O)[O-])c1O ZINC000184856383 474621751 /nfs/dbraw/zinc/62/17/51/474621751.db2.gz AHTIQYXINDDICB-UHFFFAOYSA-N 0 1 332.288 2.710 20 5 EFBDMN CC(F)(F)CCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000609135699 480116869 /nfs/dbraw/zinc/11/68/69/480116869.db2.gz CXZBKRAEFLVRGX-UHFFFAOYSA-N 0 1 325.275 2.754 20 5 EFBDMN Cc1cccc(C)c1NC(=O)CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338898446 474713413 /nfs/dbraw/zinc/71/34/13/474713413.db2.gz DRSQOKBGGBZBBS-UHFFFAOYSA-N 0 1 343.383 2.988 20 5 EFBDMN Cc1ccc(NC(=O)CN(C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000338900686 474714687 /nfs/dbraw/zinc/71/46/87/474714687.db2.gz KNLFGQHSZAADRS-UHFFFAOYSA-N 0 1 329.356 2.679 20 5 EFBDMN Cc1[nH]nc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000609167895 480122049 /nfs/dbraw/zinc/12/20/49/480122049.db2.gz INGVPNOYKSBGLE-CQSZACIVSA-N 0 1 326.356 2.918 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000344421115 474740041 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O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000337251142 474827878 /nfs/dbraw/zinc/82/78/78/474827878.db2.gz KIYGCGIBHWRFDV-XPKDYRNWSA-N 0 1 340.807 2.610 20 5 EFBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@H]2OC(F)F)c2c(c1)COCO2 ZINC000337279001 474853087 /nfs/dbraw/zinc/85/30/87/474853087.db2.gz GJIPMMLVMRNHRV-CHWSQXEVSA-N 0 1 344.314 2.711 20 5 EFBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H](O)Cc1ccccc1 ZINC000293190565 474860637 /nfs/dbraw/zinc/86/06/37/474860637.db2.gz FDISWTFFNBHCOL-HNNXBMFYSA-N 0 1 341.367 2.771 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](O)CC1 ZINC000293207053 474868662 /nfs/dbraw/zinc/86/86/62/474868662.db2.gz RBYCAWRUTIAYOO-BXUZGUMPSA-N 0 1 332.360 2.553 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000339053512 474883265 /nfs/dbraw/zinc/88/32/65/474883265.db2.gz AVIRARHSEWOESA-STQMWFEESA-N 0 1 334.294 2.578 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](CO)CC1 ZINC000293250837 474890945 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EFBDMN CC[C@H](C)N(CCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000287460760 475159274 /nfs/dbraw/zinc/15/92/74/475159274.db2.gz RGHPOZWUKQLLNS-JTQLQIEISA-N 0 1 348.346 2.798 20 5 EFBDMN CC1(C)[C@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]2CCO[C@@H]21 ZINC000296187928 475218365 /nfs/dbraw/zinc/21/83/65/475218365.db2.gz LOPSEVAFXCEBCT-CFVMTHIKSA-N 0 1 344.371 2.548 20 5 EFBDMN CC(=O)N[C@H](C)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000361156513 475230105 /nfs/dbraw/zinc/23/01/05/475230105.db2.gz SHIZSGSFDZUCFD-HZRUHFOJSA-N 0 1 331.416 2.845 20 5 EFBDMN C[C@@]12CCCN1C[C@@H](c1noc(-c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000347328745 475235891 /nfs/dbraw/zinc/23/58/91/475235891.db2.gz CEAZXIMBHLQMQR-BBRMVZONSA-N 0 1 330.344 2.571 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000347331683 475237964 /nfs/dbraw/zinc/23/79/64/475237964.db2.gz FWHOUEHHBJHIIL-JIIJFUIFSA-N 0 1 329.400 2.741 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]1C(=O)NC1CC1 ZINC000347331686 475238084 /nfs/dbraw/zinc/23/80/84/475238084.db2.gz FWHOUEHHBJHIIL-QFSNBGPKSA-N 0 1 329.400 2.741 20 5 EFBDMN Cc1ccc(-c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000347347785 475254921 /nfs/dbraw/zinc/25/49/21/475254921.db2.gz YNYDMBNISSCADZ-PBHICJAKSA-N 0 1 344.371 2.879 20 5 EFBDMN CCOCCN1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347352600 475256997 /nfs/dbraw/zinc/25/69/97/475256997.db2.gz FKYPXRJZZDIMBJ-DTQAZKPQSA-N 0 1 333.432 2.652 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000354581557 475267985 /nfs/dbraw/zinc/26/79/85/475267985.db2.gz QGXSALLOZLBNJM-AWEZNQCLSA-N 0 1 328.372 2.864 20 5 EFBDMN CCOc1ccc([C@H](C)NCc2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000296323871 475269380 /nfs/dbraw/zinc/26/93/80/475269380.db2.gz GZGWSULKHHGTPR-JTQLQIEISA-N 0 1 331.376 2.840 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000354592443 475275385 /nfs/dbraw/zinc/27/53/85/475275385.db2.gz CWXDCGFKNUCVIS-SFHVURJKSA-N 0 1 340.335 2.572 20 5 EFBDMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613950733 480152873 /nfs/dbraw/zinc/15/28/73/480152873.db2.gz CUQMTOHGIUJTEC-UHFFFAOYSA-N 0 1 346.730 2.760 20 5 EFBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCc2n[nH]c(=O)cc2C1 ZINC000347380976 475281758 /nfs/dbraw/zinc/28/17/58/475281758.db2.gz SQMBUYJAMGUXMT-GHXNOFRVSA-N 0 1 326.356 2.552 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCC2)CC1 ZINC000361222044 475282479 /nfs/dbraw/zinc/28/24/79/475282479.db2.gz VJBPWDPCKAGLGJ-MRXNPFEDSA-N 0 1 345.443 2.860 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC)C[C@@H]1C ZINC000341800076 475311816 /nfs/dbraw/zinc/31/18/16/475311816.db2.gz QKHPBMCMBZIPGR-GOEBONIOSA-N 0 1 333.432 2.716 20 5 EFBDMN C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347490178 475317825 /nfs/dbraw/zinc/31/78/25/475317825.db2.gz GXIOEYVDDVMBMS-INIZCTEOSA-N 0 1 348.447 2.557 20 5 EFBDMN CNc1c(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cccc1[N+](=O)[O-] ZINC000361325321 475357038 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O=C1[C@@H](N2CC[C@@H](CC3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339675843 475398732 /nfs/dbraw/zinc/39/87/32/475398732.db2.gz QUTFKNQWJVLWRA-YOEHRIQHSA-N 0 1 329.400 2.822 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296625081 475400333 /nfs/dbraw/zinc/40/03/33/475400333.db2.gz WTUZCPHMMCLTGM-HZSPNIEDSA-N 0 1 334.420 2.698 20 5 EFBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000339699015 475422047 /nfs/dbraw/zinc/42/20/47/475422047.db2.gz MLDRYBCVBRALKL-UHFFFAOYSA-N 0 1 346.339 2.984 20 5 EFBDMN C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCOC1 ZINC000348142385 475424413 /nfs/dbraw/zinc/42/44/13/475424413.db2.gz NFQYQJSFRZJAID-WCQYABFASA-N 0 1 332.360 2.550 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000296752075 475461605 /nfs/dbraw/zinc/46/16/05/475461605.db2.gz NYGAXUGWWQBITE-GFCCVEGCSA-N 0 1 338.383 2.990 20 5 EFBDMN O=C(Nc1ccc2nc[nH]c2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000352619981 475465600 /nfs/dbraw/zinc/46/56/00/475465600.db2.gz YHOCQUKLKQEAJP-UHFFFAOYSA-N 0 1 348.322 2.909 20 5 EFBDMN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331953491 475466949 /nfs/dbraw/zinc/46/69/49/475466949.db2.gz KVIFXSBTXDXFCJ-XFJVYGCCSA-N 0 1 334.372 2.607 20 5 EFBDMN CS[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000296895678 475526168 /nfs/dbraw/zinc/52/61/68/475526168.db2.gz LEGFJYNDAILCBL-LBPRGKRZSA-N 0 1 332.385 2.562 20 5 EFBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccsc1)N(C)C ZINC000339907123 475605713 /nfs/dbraw/zinc/60/57/13/475605713.db2.gz WGKGXWGRXMISMF-OAHLLOKOSA-N 0 1 348.428 2.731 20 5 EFBDMN COc1c(C(=O)N2CCN(C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000332402321 475626207 /nfs/dbraw/zinc/62/62/07/475626207.db2.gz UVJCDKGVZZHHSU-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN CN(CC(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000361650204 475628506 /nfs/dbraw/zinc/62/85/06/475628506.db2.gz MPJOULNDJHYLDP-UHFFFAOYSA-N 0 1 325.328 2.546 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000332445290 475641049 /nfs/dbraw/zinc/64/10/49/475641049.db2.gz JSFGSUSATMLFOK-UHFFFAOYSA-N 0 1 344.371 2.655 20 5 EFBDMN O=C(c1cn[nH]c1-c1ccccn1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000355073574 475647183 /nfs/dbraw/zinc/64/71/83/475647183.db2.gz ZLBGNPGPWFAPON-UHFFFAOYSA-N 0 1 349.350 2.578 20 5 EFBDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000332596734 475679997 /nfs/dbraw/zinc/67/99/97/475679997.db2.gz MCABOYQHCNQTKP-WMLDXEAASA-N 0 1 345.443 2.958 20 5 EFBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2cncn2c1 ZINC000340006867 475682420 /nfs/dbraw/zinc/68/24/20/475682420.db2.gz VMMPENYLUIGNBA-UHFFFAOYSA-N 0 1 344.758 2.868 20 5 EFBDMN COC(=O)c1occc1CNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353175711 475746826 /nfs/dbraw/zinc/74/68/26/475746826.db2.gz SAAYVZMRIOESGO-UHFFFAOYSA-N 0 1 338.747 2.960 20 5 EFBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000353186751 475753520 /nfs/dbraw/zinc/75/35/20/475753520.db2.gz WFUVVWNROPSPOV-LLVKDONJSA-N 0 1 339.355 2.760 20 5 EFBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCOC(F)(F)F)c1 ZINC000353196666 475762486 /nfs/dbraw/zinc/76/24/86/475762486.db2.gz ZZMFPNZABDCVNS-UHFFFAOYSA-N 0 1 330.209 2.822 20 5 EFBDMN C[C@@H](NC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297472579 475770768 /nfs/dbraw/zinc/77/07/68/475770768.db2.gz UVXKMGNOFIOTAK-UONOGXRCSA-N 0 1 346.431 2.782 20 5 EFBDMN CN(C)Cc1ccnc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000355240087 475771314 /nfs/dbraw/zinc/77/13/14/475771314.db2.gz ONTSPBIPLYGZIC-UHFFFAOYSA-N 0 1 339.355 2.785 20 5 EFBDMN C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000297509775 475789234 /nfs/dbraw/zinc/78/92/34/475789234.db2.gz YVVWUDBEASEGBF-KDOFPFPSSA-N 0 1 346.431 2.783 20 5 EFBDMN CCC1(CC)[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1OC ZINC000361828579 475789729 /nfs/dbraw/zinc/78/97/29/475789729.db2.gz LRWMMXJWKSZZFX-KGLIPLIRSA-N 0 1 346.387 2.795 20 5 EFBDMN CC(C)[C@](C)(NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(N)=O ZINC000297566374 475810295 /nfs/dbraw/zinc/81/02/95/475810295.db2.gz HLWTWVUAUUCVHT-ZDUSSCGKSA-N 0 1 333.310 2.603 20 5 EFBDMN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350962 475815857 /nfs/dbraw/zinc/81/58/57/475815857.db2.gz RJKRFEXGERNYBS-XHSDSOJGSA-N 0 1 347.459 2.962 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000346777577 475851845 /nfs/dbraw/zinc/85/18/45/475851845.db2.gz SXHLRWNPZUZGCF-NEPJUHHUSA-N 0 1 337.445 2.871 20 5 EFBDMN C[C@H](CO)N1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000343209730 475856155 /nfs/dbraw/zinc/85/61/55/475856155.db2.gz WRSPWKRYNWJLBH-SNVBAGLBSA-N 0 1 348.230 2.795 20 5 EFBDMN O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343215801 475861641 /nfs/dbraw/zinc/86/16/41/475861641.db2.gz BULJUCAJTLSGCT-VIFPVBQESA-N 0 1 328.250 2.741 20 5 EFBDMN CC[C@@H](C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000343219630 475864061 /nfs/dbraw/zinc/86/40/61/475864061.db2.gz XXMFIWZDWYEVCH-NOZJJQNGSA-N 0 1 342.359 2.711 20 5 EFBDMN O=[N+]([O-])c1ccc(CCN[C@@H](c2nnc[nH]2)c2ccc(F)cc2)cc1 ZINC000340230955 475874090 /nfs/dbraw/zinc/87/40/90/475874090.db2.gz MPUHFXCSVWPLJP-MRXNPFEDSA-N 0 1 341.346 2.774 20 5 EFBDMN COC(=O)c1c(C)cccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355381238 475887537 /nfs/dbraw/zinc/88/75/37/475887537.db2.gz XVJSUTJJLPYMGW-UHFFFAOYSA-N 0 1 330.296 2.648 20 5 EFBDMN CC[C@H](NC[C@@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346825726 475890463 /nfs/dbraw/zinc/89/04/63/475890463.db2.gz ILRJRTXXMYWHIU-GJZGRUSLSA-N 0 1 326.418 2.603 20 5 EFBDMN CC[C@@H](CSC)N(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000358742445 475899178 /nfs/dbraw/zinc/89/91/78/475899178.db2.gz YOVCBVWFMOTMIU-LBPRGKRZSA-N 0 1 325.434 2.915 20 5 EFBDMN CCC[C@H](NC[C@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346840687 475903699 /nfs/dbraw/zinc/90/36/99/475903699.db2.gz UXQMXWVLYYHUNU-CVEARBPZSA-N 0 1 340.445 2.993 20 5 EFBDMN Cc1nc([C@@H]2CCCCN2C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000338440655 475906377 /nfs/dbraw/zinc/90/63/77/475906377.db2.gz ONEQXURDNCOQAA-ZDUSSCGKSA-N 0 1 348.338 2.920 20 5 EFBDMN C[C@@](NS(=O)(=O)c1ccccc1[N+](=O)[O-])(C1CC1)C(F)(F)F ZINC000358814127 475962072 /nfs/dbraw/zinc/96/20/72/475962072.db2.gz OMEMSWNZWSXRFZ-LLVKDONJSA-N 0 1 338.307 2.604 20 5 EFBDMN C[C@@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000362095381 475996706 /nfs/dbraw/zinc/99/67/06/475996706.db2.gz IKVYEEFZDYKVPG-LURJTMIESA-N 0 1 346.714 2.867 20 5 EFBDMN O=[N+]([O-])c1cccc([C@H](NC[C@H]2CC[C@@H](CO)O2)c2ccccc2)c1 ZINC000340414641 476020382 /nfs/dbraw/zinc/02/03/82/476020382.db2.gz ILUFYGZCVTXFPG-CEXWTWQISA-N 0 1 342.395 2.814 20 5 EFBDMN COCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[C@@H](C)C1 ZINC000362152629 476035554 /nfs/dbraw/zinc/03/55/54/476035554.db2.gz WEQKHGLUJULTSO-UKRRQHHQSA-N 0 1 349.431 2.979 20 5 EFBDMN COCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000362165506 476043420 /nfs/dbraw/zinc/04/34/20/476043420.db2.gz UWFJDXGPTMYLOS-UONOGXRCSA-N 0 1 335.404 2.670 20 5 EFBDMN COCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000362165505 476043666 /nfs/dbraw/zinc/04/36/66/476043666.db2.gz UWFJDXGPTMYLOS-KGLIPLIRSA-N 0 1 335.404 2.670 20 5 EFBDMN COCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000362165507 476044086 /nfs/dbraw/zinc/04/40/86/476044086.db2.gz UWFJDXGPTMYLOS-ZIAGYGMSSA-N 0 1 335.404 2.670 20 5 EFBDMN CN(CCN1CCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000343432483 476060409 /nfs/dbraw/zinc/06/04/09/476060409.db2.gz MBPAUVNCSRJKQQ-UHFFFAOYSA-N 0 1 333.413 2.977 20 5 EFBDMN COc1cc(C(=O)Nc2c(C)n[nH]c2C(F)F)ccc1[N+](=O)[O-] ZINC000353542668 476061519 /nfs/dbraw/zinc/06/15/19/476061519.db2.gz CZCWXBYAQRBKDV-UHFFFAOYSA-N 0 1 326.259 2.825 20 5 EFBDMN C[C@@H]1C[C@@H](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000338651578 476087749 /nfs/dbraw/zinc/08/77/49/476087749.db2.gz CDIWIGHORVGCIW-ZSBIGDGJSA-N 0 1 346.387 2.795 20 5 EFBDMN CN(Cc1ccccc1)C1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000343637836 476095266 /nfs/dbraw/zinc/09/52/66/476095266.db2.gz YOGFNSJZLWQSEN-UHFFFAOYSA-N 0 1 338.411 2.883 20 5 EFBDMN COc1cc(CN2CC[C@@H](Oc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000347110738 476101095 /nfs/dbraw/zinc/10/10/95/476101095.db2.gz XMIJVDMQZMFRNJ-OAHLLOKOSA-N 0 1 329.356 2.652 20 5 EFBDMN Cc1cccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1F ZINC000336861970 476146109 /nfs/dbraw/zinc/14/61/09/476146109.db2.gz BPKBJHYLNKUHHP-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338783383 476182336 /nfs/dbraw/zinc/18/23/36/476182336.db2.gz GVBMSYXOQOIRKK-UHFFFAOYSA-N 0 1 328.250 2.575 20 5 EFBDMN O=C([O-])[C@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCSC1 ZINC000340699176 476216377 /nfs/dbraw/zinc/21/63/77/476216377.db2.gz REOLOPWFQNACRY-INIZCTEOSA-N 0 1 348.380 2.905 20 5 EFBDMN CN(C)C(=O)C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000353756554 476249201 /nfs/dbraw/zinc/24/92/01/476249201.db2.gz VWAPJPNCEYYAPA-QGZVFWFLSA-N 0 1 327.384 2.904 20 5 EFBDMN COCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@H](C)C1 ZINC000357153236 476266807 /nfs/dbraw/zinc/26/68/07/476266807.db2.gz AVZJUXYASSUKTG-RYUDHWBXSA-N 0 1 346.387 2.748 20 5 EFBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000353887716 476313325 /nfs/dbraw/zinc/31/33/25/476313325.db2.gz JRURMDUERZMRBH-UHFFFAOYSA-N 0 1 342.714 2.627 20 5 EFBDMN CC(C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000360622814 476320076 /nfs/dbraw/zinc/32/00/76/476320076.db2.gz UVGXZDARZKINJO-UHFFFAOYSA-N 0 1 327.189 2.836 20 5 EFBDMN CCOc1cc(N2CCN(CCCSC)CC2)ccc1[N+](=O)[O-] ZINC000360724074 476353906 /nfs/dbraw/zinc/35/39/06/476353906.db2.gz YDEIENMLQAXTTH-UHFFFAOYSA-N 0 1 339.461 2.869 20 5 EFBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)CC[C@@H]1C ZINC000354005845 476357052 /nfs/dbraw/zinc/35/70/52/476357052.db2.gz IQGJCRDPKWQOBR-QWHCGFSZSA-N 0 1 337.445 2.628 20 5 EFBDMN COc1ccc(NC(=O)Cc2n[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC000360739119 476359520 /nfs/dbraw/zinc/35/95/20/476359520.db2.gz PAPLIEDUQKEIPC-UHFFFAOYSA-N 0 1 326.312 2.661 20 5 EFBDMN COc1ccc(NC(=O)c2cn[nH]c2-c2ccncc2)cc1[N+](=O)[O-] ZINC000360741573 476360427 /nfs/dbraw/zinc/36/04/27/476360427.db2.gz WZWRQNNQJSBJOU-UHFFFAOYSA-N 0 1 339.311 2.641 20 5 EFBDMN Cc1c(CN2CCC[C@@H](N3CCCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000369273668 476403690 /nfs/dbraw/zinc/40/36/90/476403690.db2.gz IKPBDOPYFDYWEA-MRXNPFEDSA-N 0 1 331.416 2.880 20 5 EFBDMN Cc1nn(C)c2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc12 ZINC000360835274 476417205 /nfs/dbraw/zinc/41/72/05/476417205.db2.gz RYLTVISGQADMFY-UHFFFAOYSA-N 0 1 326.312 2.748 20 5 EFBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000363527716 476424244 /nfs/dbraw/zinc/42/42/44/476424244.db2.gz LYIQZZQNRTWMRX-UHFFFAOYSA-N 0 1 327.275 2.771 20 5 EFBDMN O=C(N[C@@H]1CC(=O)c2ccccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354122801 476442484 /nfs/dbraw/zinc/44/24/84/476442484.db2.gz OPPNZMUXYLNNCI-CQSZACIVSA-N 0 1 336.307 2.529 20 5 EFBDMN Cc1ccc(C2=CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cn1 ZINC000357622558 476495226 /nfs/dbraw/zinc/49/52/26/476495226.db2.gz QZUVUZJWCLNTDS-UHFFFAOYSA-N 0 1 339.351 2.933 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000377658941 476503172 /nfs/dbraw/zinc/50/31/72/476503172.db2.gz YTNKVQQDAYLRPD-ZFWWWQNUSA-N 0 1 349.822 2.517 20 5 EFBDMN CNc1c(C(=O)NC[C@H](c2ccsc2)N(C)C)cccc1[N+](=O)[O-] ZINC000361137669 476629361 /nfs/dbraw/zinc/62/93/61/476629361.db2.gz ABLAQYMLLBHFQW-CQSZACIVSA-N 0 1 348.428 2.731 20 5 EFBDMN COc1ccc(C[C@H]2CCCN(Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000377954531 476652983 /nfs/dbraw/zinc/65/29/83/476652983.db2.gz QBIIZKWNPGYXQQ-OAHLLOKOSA-N 0 1 344.415 2.792 20 5 EFBDMN COCCCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000352366630 476665639 /nfs/dbraw/zinc/66/56/39/476665639.db2.gz HFGZYNNPZBLXGR-ZDUSSCGKSA-N 0 1 332.360 2.606 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@](O)(C2CC2)C1 ZINC000365850079 476730408 /nfs/dbraw/zinc/73/04/08/476730408.db2.gz RHHQUIVNAICALZ-APPDUMDISA-N 0 1 344.371 2.553 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@](O)(C4CC4)C3)co2)cc1 ZINC000365852955 476734296 /nfs/dbraw/zinc/73/42/96/476734296.db2.gz BGGYFNLMIVLPSI-KRWDZBQOSA-N 0 1 329.356 2.597 20 5 EFBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1 ZINC000430052067 476743699 /nfs/dbraw/zinc/74/36/99/476743699.db2.gz NZKFTXYYXJWJDJ-UHFFFAOYSA-N 0 1 329.337 2.944 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000456817946 476750018 /nfs/dbraw/zinc/75/00/18/476750018.db2.gz DAGDNEXHKIWOFS-OAHLLOKOSA-N 0 1 338.433 2.801 20 5 EFBDMN CCOC(=O)CC1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430226361 476786142 /nfs/dbraw/zinc/78/61/42/476786142.db2.gz OMZKSISFEPSHRZ-UHFFFAOYSA-N 0 1 336.388 2.769 20 5 EFBDMN C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000390530272 476796378 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2.502 20 5 EFBDMN O=C(CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCCCC1 ZINC000451550013 478085764 /nfs/dbraw/zinc/08/57/64/478085764.db2.gz QKVLKJZDBCGXMK-MRXNPFEDSA-N 0 1 331.416 2.787 20 5 EFBDMN O=C1[C@@H](N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CC1 ZINC000451549696 478085895 /nfs/dbraw/zinc/08/58/95/478085895.db2.gz QGAKCFUJMIFHTA-YOEHRIQHSA-N 0 1 329.400 2.538 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(C/C=C/c3ccncc3)C2)nc1 ZINC000494938784 478088039 /nfs/dbraw/zinc/08/80/39/478088039.db2.gz PCILWEWSLFXMSK-YLSAJCSVSA-N 0 1 325.372 2.584 20 5 EFBDMN COCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCC[C@@H]1C ZINC000487959923 478091409 /nfs/dbraw/zinc/09/14/09/478091409.db2.gz SKKAUVDBHZLVDC-YOEHRIQHSA-N 0 1 349.431 2.979 20 5 EFBDMN COCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000487963670 478093108 /nfs/dbraw/zinc/09/31/08/478093108.db2.gz RNLXWGAWIQUKAT-DZGCQCFKSA-N 0 1 335.404 2.670 20 5 EFBDMN CC(C)CSCCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000533555096 478098030 /nfs/dbraw/zinc/09/80/30/478098030.db2.gz MAKAJAVDAZANPW-UHFFFAOYSA-N 0 1 338.477 2.891 20 5 EFBDMN COCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000487987999 478100517 /nfs/dbraw/zinc/10/05/17/478100517.db2.gz MCEYKELPAGJKIH-UKRRQHHQSA-N 0 1 349.431 2.979 20 5 EFBDMN CO[C@@H]1CCC[C@H]1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451632205 478133494 /nfs/dbraw/zinc/13/34/94/478133494.db2.gz NNRLYNGFLXPBPI-LERXQTSPSA-N 0 1 332.360 2.863 20 5 EFBDMN COc1cc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000451701262 478165766 /nfs/dbraw/zinc/16/57/66/478165766.db2.gz PQXUEGSCLGLNBF-YRGRVCCFSA-N 0 1 338.379 2.725 20 5 EFBDMN COc1cccc(N2CCN(C)[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000561423747 478183348 /nfs/dbraw/zinc/18/33/48/478183348.db2.gz SOOJBRKXNGYRHJ-INIZCTEOSA-N 0 1 341.411 2.967 20 5 EFBDMN COc1cccc(N2CCN(C)[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000561423748 478184165 /nfs/dbraw/zinc/18/41/65/478184165.db2.gz SOOJBRKXNGYRHJ-MRXNPFEDSA-N 0 1 341.411 2.967 20 5 EFBDMN C[C@@H]1CC[C@H](N(CCO)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429762829 478188614 /nfs/dbraw/zinc/18/86/14/478188614.db2.gz QUCVIPBHKHDHGF-DOMZBBRYSA-N 0 1 346.387 2.628 20 5 EFBDMN O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)c1 ZINC000535081193 478197098 /nfs/dbraw/zinc/19/70/98/478197098.db2.gz NWSMNCQQBCMIFR-UHFFFAOYSA-N 0 1 337.383 2.793 20 5 EFBDMN O=[N+]([O-])c1cccc(N2CCN(Cc3ccc4[nH]cnc4c3)CC2)c1 ZINC000535081193 478197103 /nfs/dbraw/zinc/19/71/03/478197103.db2.gz NWSMNCQQBCMIFR-UHFFFAOYSA-N 0 1 337.383 2.793 20 5 EFBDMN O=[N+]([O-])c1cccc(N2CCN(Cc3ccc4nc[nH]c4c3)CC2)c1 ZINC000535081193 478197105 /nfs/dbraw/zinc/19/71/05/478197105.db2.gz NWSMNCQQBCMIFR-UHFFFAOYSA-N 0 1 337.383 2.793 20 5 EFBDMN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](CO)CC(C)(C)C ZINC000451777759 478199829 /nfs/dbraw/zinc/19/98/29/478199829.db2.gz JAGADDIDCRVKDG-AWEZNQCLSA-N 0 1 348.403 2.874 20 5 EFBDMN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](CO)CC(C)(C)C ZINC000451778161 478201444 /nfs/dbraw/zinc/20/14/44/478201444.db2.gz CUXIVDGIDVGTGY-CQSZACIVSA-N 0 1 348.403 2.874 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H](CO)CC(C)(C)C ZINC000451784497 478202367 /nfs/dbraw/zinc/20/23/67/478202367.db2.gz UHEAQLXOJJMXSY-ZDUSSCGKSA-N 0 1 337.420 2.571 20 5 EFBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1nc2ccc(F)cc2[nH]1 ZINC000488952028 478204972 /nfs/dbraw/zinc/20/49/72/478204972.db2.gz WRJNXAZDYJTSPU-UHFFFAOYSA-N 0 1 332.266 2.931 20 5 EFBDMN Cc1nc2ccccn2c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488991284 478208796 /nfs/dbraw/zinc/20/87/96/478208796.db2.gz XNQVKKUJDFRCTK-UHFFFAOYSA-N 0 1 340.387 2.585 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489398742 478240718 /nfs/dbraw/zinc/24/07/18/478240718.db2.gz SZUDPDVQVFYANY-WMZOPIPTSA-N 0 1 347.459 2.962 20 5 EFBDMN C[N@@H+](CCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000519827009 478265254 /nfs/dbraw/zinc/26/52/54/478265254.db2.gz SSGWRTVZXLAKBL-UHFFFAOYSA-N 0 1 336.392 2.755 20 5 EFBDMN COCCC1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000600190448 478273368 /nfs/dbraw/zinc/27/33/68/478273368.db2.gz VLRJQAKDKIBZIH-UHFFFAOYSA-N 0 1 336.388 2.615 20 5 EFBDMN CCO[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000590658530 478277710 /nfs/dbraw/zinc/27/77/10/478277710.db2.gz YHSRDZWKAHQLCF-IUODEOHRSA-N 0 1 336.388 2.613 20 5 EFBDMN COCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000490336635 478331904 /nfs/dbraw/zinc/33/19/04/478331904.db2.gz LSGFGBRDNRGQBE-RYUDHWBXSA-N 0 1 338.408 2.719 20 5 EFBDMN COCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000490336634 478332239 /nfs/dbraw/zinc/33/22/39/478332239.db2.gz LSGFGBRDNRGQBE-NWDGAFQWSA-N 0 1 338.408 2.719 20 5 EFBDMN CCC(C)(C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000594389080 478357009 /nfs/dbraw/zinc/35/70/09/478357009.db2.gz FDRQAYRNNPLGSU-UHFFFAOYSA-N 0 1 335.404 2.550 20 5 EFBDMN CCC(C)(C)N1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000594389840 478357319 /nfs/dbraw/zinc/35/73/19/478357319.db2.gz OJFWXLQDXBLWPP-UHFFFAOYSA-N 0 1 349.431 2.858 20 5 EFBDMN COc1ccc(C(=O)Nc2cc(C(C)=O)ccc2O)cc1[N+](=O)[O-] ZINC000538645228 478368936 /nfs/dbraw/zinc/36/89/36/478368936.db2.gz GEDZKUIYAHPBSP-UHFFFAOYSA-N 0 1 330.296 2.764 20 5 EFBDMN C[C@]12CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000590888302 478385605 /nfs/dbraw/zinc/38/56/05/478385605.db2.gz WBQYZCLCKFTJPW-YSYLPMMESA-N 0 1 340.383 2.979 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000539076785 478400717 /nfs/dbraw/zinc/40/07/17/478400717.db2.gz GGVODOBKIRRKRK-ZWNOBZJWSA-N 0 1 345.321 2.717 20 5 EFBDMN C[C@@H](NCC(=O)NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539276726 478408661 /nfs/dbraw/zinc/40/86/61/478408661.db2.gz JNPABLDAFVADBP-OAHLLOKOSA-N 0 1 341.411 2.994 20 5 EFBDMN CC[C@H](NCc1n[nH]c([C@H]2CCCO2)n1)c1cccc([N+](=O)[O-])c1 ZINC000594507291 478417339 /nfs/dbraw/zinc/41/73/39/478417339.db2.gz CFTDGGLSWIAQOQ-UONOGXRCSA-N 0 1 331.376 2.805 20 5 EFBDMN O=[N+]([O-])c1c(NCc2n[nH]c([C@H]3CCCO3)n2)ccc2ncccc21 ZINC000594589412 478450688 /nfs/dbraw/zinc/45/06/88/478450688.db2.gz JOIXUJGBOXMKDF-CYBMUJFWSA-N 0 1 340.343 2.725 20 5 EFBDMN O=[N+]([O-])c1cccc2c1ccnc2NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594589027 478451059 /nfs/dbraw/zinc/45/10/59/478451059.db2.gz HDZZHQNHMXJDTE-ZDUSSCGKSA-N 0 1 340.343 2.725 20 5 EFBDMN CCc1ccc(S(=O)(=O)Nc2nccc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000600668065 478459989 /nfs/dbraw/zinc/45/99/89/478459989.db2.gz QNGJHDJUBUWSDJ-UHFFFAOYSA-N 0 1 348.384 2.625 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCC[C@H]21 ZINC000600675617 478464519 /nfs/dbraw/zinc/46/45/19/478464519.db2.gz QSCUAQTYELUXSN-ZOWXZIJZSA-N 0 1 344.371 2.546 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCC[C@H]21 ZINC000600675617 478464528 /nfs/dbraw/zinc/46/45/28/478464528.db2.gz QSCUAQTYELUXSN-ZOWXZIJZSA-N 0 1 344.371 2.546 20 5 EFBDMN COc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000600676843 478465724 /nfs/dbraw/zinc/46/57/24/478465724.db2.gz YWXIOISIOWDTTP-HZSPNIEDSA-N 0 1 334.372 2.679 20 5 EFBDMN COc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000600676845 478465765 /nfs/dbraw/zinc/46/57/65/478465765.db2.gz YWXIOISIOWDTTP-MELADBBJSA-N 0 1 334.372 2.679 20 5 EFBDMN C[C@H](C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1)C(=O)[O-] ZINC000582009050 478489847 /nfs/dbraw/zinc/48/98/47/478489847.db2.gz OTTQPHCROQZUKT-LLVKDONJSA-N 0 1 345.355 2.935 20 5 EFBDMN O=C1NCCC[C@@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591243827 478497622 /nfs/dbraw/zinc/49/76/22/478497622.db2.gz AFIIWWPYHKWZEA-AEFFLSMTSA-N 0 1 339.395 2.800 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC000594733635 478520520 /nfs/dbraw/zinc/52/05/20/478520520.db2.gz ADGRTZORWUGLBX-GVDBMIGSSA-N 0 1 348.399 2.939 20 5 EFBDMN COC(=O)c1cc(-c2ccc([C@@H]3COCCN3)cc2)cc([N+](=O)[O-])c1 ZINC000600789776 478521575 /nfs/dbraw/zinc/52/15/75/478521575.db2.gz VREXISDXQLNKIS-KRWDZBQOSA-N 0 1 342.351 2.709 20 5 EFBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000600970451 478589900 /nfs/dbraw/zinc/58/99/00/478589900.db2.gz KGHOEFNKNCREJW-CQSZACIVSA-N 0 1 343.358 2.738 20 5 EFBDMN CCc1ccc(C(=O)NC[C@@H](N)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000591681203 478605321 /nfs/dbraw/zinc/60/53/21/478605321.db2.gz XPBZLCAWGSTYCP-OAHLLOKOSA-N 0 1 343.383 2.596 20 5 EFBDMN Cc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582493183 478613888 /nfs/dbraw/zinc/61/38/88/478613888.db2.gz ZDROMCIITOKDKI-ZDUSSCGKSA-N 0 1 335.404 2.912 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN[C@H](CO)C3CCCCC3)n2)c1 ZINC000541984591 478622150 /nfs/dbraw/zinc/62/21/50/478622150.db2.gz PFDROWZPEDBTII-OAHLLOKOSA-N 0 1 346.387 2.676 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C(=O)N1CCCC1)C(C)C ZINC000595019986 478631217 /nfs/dbraw/zinc/63/12/17/478631217.db2.gz SUDZGQLPVQDQCN-GUYCJALGSA-N 0 1 349.431 2.901 20 5 EFBDMN Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563814228 478638534 /nfs/dbraw/zinc/63/85/34/478638534.db2.gz RZIWZWVXTHYDTI-TYNCELHUSA-N 0 1 347.415 2.768 20 5 EFBDMN CCN(C)C(=O)[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595043601 478638739 /nfs/dbraw/zinc/63/87/39/478638739.db2.gz WTYIGMMTHHSKMV-WBMJQRKESA-N 0 1 337.420 2.757 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000595044670 478640504 /nfs/dbraw/zinc/64/05/04/478640504.db2.gz NMAIZLZYSJMABI-BHYNMZESSA-N 0 1 330.331 2.803 20 5 EFBDMN O=[N+]([O-])c1ccc(CNCc2ccnc(N3CCSCC3)c2)cc1 ZINC000601153434 478692724 /nfs/dbraw/zinc/69/27/24/478692724.db2.gz YKHMEVYEQHSTCW-UHFFFAOYSA-N 0 1 344.440 2.833 20 5 EFBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564094683 478693695 /nfs/dbraw/zinc/69/36/95/478693695.db2.gz UOEURQLKMXIUSZ-CQSZACIVSA-N 0 1 331.328 2.689 20 5 EFBDMN Cc1[nH+]ccn1CCCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000582847248 478702762 /nfs/dbraw/zinc/70/27/62/478702762.db2.gz HGZNIPDHCREEDE-UHFFFAOYSA-N 0 1 332.360 2.999 20 5 EFBDMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000571941401 478711599 /nfs/dbraw/zinc/71/15/99/478711599.db2.gz INBRLZFWZDJYRN-SCVCMEIPSA-N 0 1 332.360 2.545 20 5 EFBDMN COC1([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000595279606 478711701 /nfs/dbraw/zinc/71/17/01/478711701.db2.gz SEMVAULFRGMZCK-GOEBONIOSA-N 0 1 348.399 2.797 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000598301262 478754427 /nfs/dbraw/zinc/75/44/27/478754427.db2.gz WPANKLMRHSWPEK-MRXNPFEDSA-N 0 1 334.372 2.722 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3cccnc3)C2)c2c(c1)COCO2 ZINC000564564089 478760517 /nfs/dbraw/zinc/76/05/17/478760517.db2.gz KWDSZIORXYEZQS-AWEZNQCLSA-N 0 1 341.367 2.846 20 5 EFBDMN Cc1noc(CN2CCC[C@@H]2Cn2cnc3ccccc32)c1[N+](=O)[O-] ZINC000595393239 478761209 /nfs/dbraw/zinc/76/12/09/478761209.db2.gz PUXWQZPNUDANMK-CYBMUJFWSA-N 0 1 341.371 2.906 20 5 EFBDMN CC1(C)C[C@@]1(NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000595413327 478766300 /nfs/dbraw/zinc/76/63/00/478766300.db2.gz YRLPRCRDLAWALE-MRXNPFEDSA-N 0 1 347.396 2.594 20 5 EFBDMN Cc1c([C@@H](C)NC[C@@H](n2cncn2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000601295393 478771253 /nfs/dbraw/zinc/77/12/53/478771253.db2.gz VONWULQERXSZER-ZWNOBZJWSA-N 0 1 343.309 2.949 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ccccn1 ZINC000544144171 478812370 /nfs/dbraw/zinc/81/23/70/478812370.db2.gz ZQOYGIQIQMVASS-ZBFHGGJFSA-N 0 1 343.383 2.567 20 5 EFBDMN CCN(CCSC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000592200127 478823272 /nfs/dbraw/zinc/82/32/72/478823272.db2.gz KPXKLSPRSGEUEA-NSHDSACASA-N 0 1 341.433 2.615 20 5 EFBDMN Cc1ccc(CN2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1[N+](=O)[O-] ZINC000572378492 478823869 /nfs/dbraw/zinc/82/38/69/478823869.db2.gz GTYAWVQWFAPCDE-MRXNPFEDSA-N 0 1 331.416 2.640 20 5 EFBDMN CO[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000598437255 478823902 /nfs/dbraw/zinc/82/39/02/478823902.db2.gz HHZYOLYGOBQTNU-OAHLLOKOSA-N 0 1 346.387 2.796 20 5 EFBDMN CCN(CCSC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000592205088 478824083 /nfs/dbraw/zinc/82/40/83/478824083.db2.gz XIOLKLRJRMKRFB-GFCCVEGCSA-N 0 1 325.434 2.915 20 5 EFBDMN Cc1noc(CNC2(Cc3cccc(F)c3)CCOCC2)c1[N+](=O)[O-] ZINC000595504713 478824221 /nfs/dbraw/zinc/82/42/21/478824221.db2.gz HOAPTNQFESJTML-UHFFFAOYSA-N 0 1 349.362 2.912 20 5 EFBDMN CCN(CCSC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000592205105 478824836 /nfs/dbraw/zinc/82/48/36/478824836.db2.gz XIOLKLRJRMKRFB-LBPRGKRZSA-N 0 1 325.434 2.915 20 5 EFBDMN CCN(CCSC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000592200880 478825587 /nfs/dbraw/zinc/82/55/87/478825587.db2.gz RIJWJLJFOCNKND-LLVKDONJSA-N 0 1 341.433 2.615 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCCCS1(=O)=O ZINC000544386764 478830753 /nfs/dbraw/zinc/83/07/53/478830753.db2.gz QIXFHTWXILWMPW-TZMCWYRMSA-N 0 1 326.418 2.521 20 5 EFBDMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000583386734 478840351 /nfs/dbraw/zinc/84/03/51/478840351.db2.gz JGSLYFIIKNVRFY-MRXNPFEDSA-N 0 1 332.381 2.885 20 5 EFBDMN O=[N+]([O-])c1cc(Br)ccc1-c1nc([C@H]2CCCN2)no1 ZINC000592356644 478867479 /nfs/dbraw/zinc/86/74/79/478867479.db2.gz CAPGQBJEHWNHKD-SECBINFHSA-N 0 1 339.149 2.832 20 5 EFBDMN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1Cc1ccccc1 ZINC000598512401 478872342 /nfs/dbraw/zinc/87/23/42/478872342.db2.gz ZIQYDDFTOOCARL-QGZVFWFLSA-N 0 1 339.395 2.528 20 5 EFBDMN CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565023441 478888275 /nfs/dbraw/zinc/88/82/75/478888275.db2.gz COROSQVAMJGGCI-LLVKDONJSA-N 0 1 341.795 2.510 20 5 EFBDMN CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565023446 478888579 /nfs/dbraw/zinc/88/85/79/478888579.db2.gz COROSQVAMJGGCI-NSHDSACASA-N 0 1 341.795 2.510 20 5 EFBDMN CN(CCCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-])Cc1ccco1 ZINC000601584812 478891074 /nfs/dbraw/zinc/89/10/74/478891074.db2.gz PDSTZSADULUNGV-UHFFFAOYSA-N 0 1 349.362 2.921 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000492274594 478904992 /nfs/dbraw/zinc/90/49/92/478904992.db2.gz RVNCNLGTUQUOPI-BREXMAIKSA-N 0 1 347.350 2.866 20 5 EFBDMN Nc1ccc(-c2noc(-c3cc(-c4ccoc4)n[nH]3)n2)cc1[N+](=O)[O-] ZINC000545550953 478943184 /nfs/dbraw/zinc/94/31/84/478943184.db2.gz JKJNIWQCHZDIME-UHFFFAOYSA-N 0 1 338.283 2.877 20 5 EFBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000565212386 478952191 /nfs/dbraw/zinc/95/21/91/478952191.db2.gz HZJBCTYJGKKBDM-LLVKDONJSA-N 0 1 331.376 2.956 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000583993985 478988613 /nfs/dbraw/zinc/98/86/13/478988613.db2.gz HDMNYWCIJLYAOT-WFASDCNBSA-N 0 1 336.388 2.925 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595822334 479016350 /nfs/dbraw/zinc/01/63/50/479016350.db2.gz RBEPRVDDFJICSQ-UHFFFAOYSA-N 0 1 332.400 2.865 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN[C@@H](CO)c2ccc(F)cc2F)cc1 ZINC000595867448 479041366 /nfs/dbraw/zinc/04/13/66/479041366.db2.gz NIFUGPKOANAKFF-INIZCTEOSA-N 0 1 338.310 2.575 20 5 EFBDMN O=C([O-])C[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000565600261 479043723 /nfs/dbraw/zinc/04/37/23/479043723.db2.gz LTGZIKQAMOYCSA-CYBMUJFWSA-N 0 1 345.355 2.731 20 5 EFBDMN CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592829600 479063212 /nfs/dbraw/zinc/06/32/12/479063212.db2.gz RLWUAGYFPYJGBI-NSHDSACASA-N 0 1 341.795 2.510 20 5 EFBDMN CCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592832775 479064135 /nfs/dbraw/zinc/06/41/35/479064135.db2.gz VZAUBXRYOFDOIM-GFCCVEGCSA-N 0 1 325.796 2.805 20 5 EFBDMN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C)C1 ZINC000592832160 479065216 /nfs/dbraw/zinc/06/52/16/479065216.db2.gz RWTFOKLTJAPZEE-LBPRGKRZSA-N 0 1 325.796 2.805 20 5 EFBDMN CCOc1ccc(NC(=O)CN(C)C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595912373 479066498 /nfs/dbraw/zinc/06/64/98/479066498.db2.gz KRPMCUVBZIGULT-GFCCVEGCSA-N 0 1 335.404 2.910 20 5 EFBDMN COc1ccc2nc(SCCn3c(C)ncc3[N+](=O)[O-])[nH]c2c1 ZINC000601915962 479068660 /nfs/dbraw/zinc/06/86/60/479068660.db2.gz GZTRWEMRBQVCRZ-UHFFFAOYSA-N 0 1 333.373 2.777 20 5 EFBDMN C[C@]1(CO)CCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493608136 479079504 /nfs/dbraw/zinc/07/95/04/479079504.db2.gz ZRQISLRJLIVYMK-DOTOQJQBSA-N 0 1 331.372 2.891 20 5 EFBDMN CCC[C@@H]1CNCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915756 479084371 /nfs/dbraw/zinc/08/43/71/479084371.db2.gz OAUCBMOKNYKTCZ-LLVKDONJSA-N 0 1 326.784 2.854 20 5 EFBDMN CC[NH+]1CCN(C[C@H](C)CNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596082160 479127668 /nfs/dbraw/zinc/12/76/68/479127668.db2.gz MQJWHWGMRDCGNL-GFCCVEGCSA-N 0 1 326.466 2.650 20 5 EFBDMN Cc1cc(N[C@H]2CCc3nc(C)ncc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596106044 479141772 /nfs/dbraw/zinc/14/17/72/479141772.db2.gz PAOUXWMMBGMNJC-AWEZNQCLSA-N 0 1 349.394 2.941 20 5 EFBDMN COc1ccc(OCCN2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593056065 479148401 /nfs/dbraw/zinc/14/84/01/479148401.db2.gz XDEBNGVNGCPZTM-OAHLLOKOSA-N 0 1 338.404 2.872 20 5 EFBDMN CC[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593059364 479150721 /nfs/dbraw/zinc/15/07/21/479150721.db2.gz PLSVZEPRJLDCHU-ZIAGYGMSSA-N 0 1 335.404 2.813 20 5 EFBDMN CC[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)CO1 ZINC000593063271 479152698 /nfs/dbraw/zinc/15/26/98/479152698.db2.gz SYMNKPKNOPYHDT-UKRRQHHQSA-N 0 1 335.404 2.731 20 5 EFBDMN C[C@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)CN1CCOCC1 ZINC000596134679 479158242 /nfs/dbraw/zinc/15/82/42/479158242.db2.gz OCCQIVSCROGILJ-LLVKDONJSA-N 0 1 347.337 2.994 20 5 EFBDMN Cc1nc([C@H](C)Nc2c(Br)cccc2[N+](=O)[O-])n[nH]1 ZINC000596231789 479212791 /nfs/dbraw/zinc/21/27/91/479212791.db2.gz NEORNOKWJCFGJQ-LURJTMIESA-N 0 1 326.154 2.957 20 5 EFBDMN CC[C@H]1CN(C)CCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584574906 479182074 /nfs/dbraw/zinc/18/20/74/479182074.db2.gz HSTHZCVWASFHMV-ZFWWWQNUSA-N 0 1 334.420 2.700 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000602997158 479185852 /nfs/dbraw/zinc/18/58/52/479185852.db2.gz DMFRTZPUZAENIS-ZACQAIPSSA-N 0 1 348.399 2.587 20 5 EFBDMN CCc1ccc(S(=O)(=O)Nc2c(C)ccnc2C)cc1[N+](=O)[O-] ZINC000569846439 479192997 /nfs/dbraw/zinc/19/29/97/479192997.db2.gz TWWJICHHTIZIPR-UHFFFAOYSA-N 0 1 335.385 2.970 20 5 EFBDMN CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000574046894 479205139 /nfs/dbraw/zinc/20/51/39/479205139.db2.gz OQWGJUUWZXPOPV-ZENOOKHLSA-N 0 1 334.372 2.679 20 5 EFBDMN CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000574046893 479205580 /nfs/dbraw/zinc/20/55/80/479205580.db2.gz OQWGJUUWZXPOPV-XEZPLFJOSA-N 0 1 334.372 2.679 20 5 EFBDMN CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000574046891 479205941 /nfs/dbraw/zinc/20/59/41/479205941.db2.gz OQWGJUUWZXPOPV-HEHGZKQESA-N 0 1 334.372 2.679 20 5 EFBDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574053593 479207420 /nfs/dbraw/zinc/20/74/20/479207420.db2.gz QADRAWBLMMSQET-DZGCQCFKSA-N 0 1 342.399 2.903 20 5 EFBDMN CC1(C)CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCN1CCO ZINC000596224011 479210482 /nfs/dbraw/zinc/21/04/82/479210482.db2.gz WRUYENCVPMKXHT-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN C[C@H]1[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000596235842 479216204 /nfs/dbraw/zinc/21/62/04/479216204.db2.gz NFWLISVEQQPQRI-JSGCOSHPSA-N 0 1 328.372 2.770 20 5 EFBDMN C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1C ZINC000593187454 479228428 /nfs/dbraw/zinc/22/84/28/479228428.db2.gz KQGLDMLWIGUIKJ-AXFHLTTASA-N 0 1 325.796 2.801 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000593187640 479228561 /nfs/dbraw/zinc/22/85/61/479228561.db2.gz NGVFABHYZGZEOG-UPJWGTAASA-N 0 1 337.445 2.626 20 5 EFBDMN CCOc1ccc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593186886 479229284 /nfs/dbraw/zinc/22/92/84/479229284.db2.gz AJSCCIVIEHPIBQ-FRRDWIJNSA-N 0 1 335.404 2.547 20 5 EFBDMN CSc1cccc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000593189294 479230077 /nfs/dbraw/zinc/23/00/77/479230077.db2.gz KKEPZFLNYYVFLK-UTUOFQBUSA-N 0 1 337.445 2.870 20 5 EFBDMN CSc1ccc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593188122 479230431 /nfs/dbraw/zinc/23/04/31/479230431.db2.gz VTRSTJSOBGFGBC-UTUOFQBUSA-N 0 1 337.445 2.870 20 5 EFBDMN C[C@@H]1[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1C ZINC000593188569 479230445 /nfs/dbraw/zinc/23/04/45/479230445.db2.gz LWIQPQUVTRUSIA-QJPTWQEYSA-N 0 1 339.823 2.730 20 5 EFBDMN CC(C)Oc1cc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000593190712 479231931 /nfs/dbraw/zinc/23/19/31/479231931.db2.gz OISUPUUAKNQYSZ-MGPQQGTHSA-N 0 1 349.431 2.935 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000593291087 479279259 /nfs/dbraw/zinc/27/92/59/479279259.db2.gz XVSLVAOFLZGYDU-CYBMUJFWSA-N 0 1 349.387 2.561 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC2(CC2(F)F)CC1 ZINC000593300102 479283358 /nfs/dbraw/zinc/28/33/58/479283358.db2.gz LITVRKLGLIRNAW-UHFFFAOYSA-N 0 1 336.298 2.733 20 5 EFBDMN CN(Cc1cn(Cc2cccc([N+](=O)[O-])c2)nn1)C1CCCCC1 ZINC000603164119 479286246 /nfs/dbraw/zinc/28/62/46/479286246.db2.gz RVXBMOOKKGOGMK-UHFFFAOYSA-N 0 1 329.404 2.999 20 5 EFBDMN CC(C)(C)[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000574481387 479294635 /nfs/dbraw/zinc/29/46/35/479294635.db2.gz SYOGVXWFORYQFU-OAHLLOKOSA-N 0 1 335.404 2.670 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCc4cn[nH]c4C3)co2)cc1 ZINC000611172022 479301409 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COC(=O)[C@@H]1CCCCN1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903276 1286308025 /nfs/dbraw/zinc/30/80/25/1286308025.db2.gz GJUPHFBNSXPCGU-RDJZCZTQSA-N 0 1 332.400 2.870 20 5 EFBDMN COC(=O)[C@H]1[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]21 ZINC000814173330 1286356368 /nfs/dbraw/zinc/35/63/68/1286356368.db2.gz KDCHNHGMBRUMQA-HALDLXJZSA-N 0 1 342.351 2.706 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2nccs2)c1F ZINC001173174836 1286451570 /nfs/dbraw/zinc/45/15/70/1286451570.db2.gz DMKRWWSLSJOJAM-VIFPVBQESA-N 0 1 325.365 2.920 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H](C)[C@@](C)(O)C2)c1F ZINC001173180214 1286454755 /nfs/dbraw/zinc/45/47/55/1286454755.db2.gz JIKCYVICAHNKQY-QFSBIZTOSA-N 0 1 340.395 2.766 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCC[C@@H](O)C2)c1F ZINC001173179611 1286454984 /nfs/dbraw/zinc/45/49/84/1286454984.db2.gz FUYZOZIMGMUZKK-VXGBXAGGSA-N 0 1 326.368 2.520 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@](C)(O)[C@H](C)C2)c1F ZINC001173182768 1286456141 /nfs/dbraw/zinc/45/61/41/1286456141.db2.gz TWBOBQMCIZMQEB-BWACUDIHSA-N 0 1 340.395 2.766 20 5 EFBDMN COC[C@H]1CCCN1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182763 1286456231 /nfs/dbraw/zinc/45/62/31/1286456231.db2.gz TVKIXWNOPWLLBZ-NWDGAFQWSA-N 0 1 326.368 2.784 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ncccc2OC)c1F ZINC001173189385 1286457839 /nfs/dbraw/zinc/45/78/39/1286457839.db2.gz OVPNTFAVHGIAHX-NSHDSACASA-N 0 1 349.362 2.867 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC([C@@H](C)OC)C2)c1F ZINC001173192798 1286458879 /nfs/dbraw/zinc/45/88/79/1286458879.db2.gz MWFCAFNJMUFEMY-GHMZBOCLSA-N 0 1 326.368 2.640 20 5 EFBDMN COC[C@H]1Cn2nccc2CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224134 1286477599 /nfs/dbraw/zinc/47/75/99/1286477599.db2.gz FFBGHXBOKMARPI-GDBMZVCRSA-N 0 1 344.415 2.501 20 5 EFBDMN Cc1ccc(C(=O)NCCNCc2csc([N+](=O)[O-])c2)c(F)c1 ZINC001134301645 1286543558 /nfs/dbraw/zinc/54/35/58/1286543558.db2.gz FGMXJAWAKPCUML-UHFFFAOYSA-N 0 1 337.376 2.623 20 5 EFBDMN Cc1ccc(F)c(C(=O)NCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001134355674 1286589473 /nfs/dbraw/zinc/58/94/73/1286589473.db2.gz BDTPDYQEKHEKDG-UHFFFAOYSA-N 0 1 337.376 2.623 20 5 EFBDMN CCOc1ccc(C(=O)OCc2nnc(C(C)(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000814437031 1286590217 /nfs/dbraw/zinc/59/02/17/1286590217.db2.gz VJLIBXRJSVPWHD-UHFFFAOYSA-N 0 1 348.359 2.766 20 5 EFBDMN CCOc1ccc(C(=O)OCc2n[nH]c(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000814437031 1286590223 /nfs/dbraw/zinc/59/02/23/1286590223.db2.gz VJLIBXRJSVPWHD-UHFFFAOYSA-N 0 1 348.359 2.766 20 5 EFBDMN Cc1ccc(F)c(C(=O)NCCNCc2ccccc2[N+](=O)[O-])c1 ZINC001134357409 1286590853 /nfs/dbraw/zinc/59/08/53/1286590853.db2.gz YUJIMOYSLCLSBY-UHFFFAOYSA-N 0 1 331.347 2.562 20 5 EFBDMN CCOc1cccc(C(=O)NCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001134385150 1286632105 /nfs/dbraw/zinc/63/21/05/1286632105.db2.gz PSFCEGSXQHXYRJ-UHFFFAOYSA-N 0 1 349.412 2.575 20 5 EFBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1ccc2cc[nH]c2c1 ZINC001134367515 1286637889 /nfs/dbraw/zinc/63/78/89/1286637889.db2.gz IFLNRDVFVQCSAH-UHFFFAOYSA-N 0 1 344.396 2.657 20 5 EFBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814470974 1286670127 /nfs/dbraw/zinc/67/01/27/1286670127.db2.gz XBQJSNTUOFOKQS-UHFFFAOYSA-N 0 1 348.359 2.766 20 5 EFBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814470974 1286670140 /nfs/dbraw/zinc/67/01/40/1286670140.db2.gz XBQJSNTUOFOKQS-UHFFFAOYSA-N 0 1 348.359 2.766 20 5 EFBDMN Cc1ccc(N2CCN(CCn3ccc([N+](=O)[O-])n3)[C@H](C)C2)cc1C ZINC000747966810 1286867402 /nfs/dbraw/zinc/86/74/02/1286867402.db2.gz HCUFZSUQPHYKSZ-MRXNPFEDSA-N 0 1 343.431 2.619 20 5 EFBDMN CN(Cc1c2ccccc2cc2ccccc21)C(=O)Cc1nn[nH]n1 ZINC001176841178 1288146400 /nfs/dbraw/zinc/14/64/00/1288146400.db2.gz SQMXPINBJGJAEE-UHFFFAOYSA-N 0 1 331.379 2.707 20 5 EFBDMN NC(=O)C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000816653553 1288229453 /nfs/dbraw/zinc/22/94/53/1288229453.db2.gz XYQYXCJFXFBJII-AWEZNQCLSA-N 0 1 333.775 2.955 20 5 EFBDMN CO[C@H](CC(C)C)CS(=O)(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000817392613 1288581032 /nfs/dbraw/zinc/58/10/32/1288581032.db2.gz YIDJSBXPKOZNEE-LLVKDONJSA-N 0 1 348.396 2.845 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000821847802 1288809205 /nfs/dbraw/zinc/80/92/05/1288809205.db2.gz JGKIYCGZTNUFNX-LBPRGKRZSA-N 0 1 337.445 2.873 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000823955527 1289489243 /nfs/dbraw/zinc/48/92/43/1289489243.db2.gz GZOJBRZEFPEAAQ-RKDXNWHRSA-N 0 1 347.379 2.691 20 5 EFBDMN CN(C)[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccsc1 ZINC000824003189 1289498791 /nfs/dbraw/zinc/49/87/91/1289498791.db2.gz RUFOPRUVBGLRRY-AWEZNQCLSA-N 0 1 349.416 2.663 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCCS(=O)(=O)c1ccccc1 ZINC000873023812 1289527175 /nfs/dbraw/zinc/52/71/75/1289527175.db2.gz XLIAFMUBIVUUJU-UHFFFAOYSA-N 0 1 348.424 2.775 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(C2CCCC2)CC1 ZINC000873961537 1290139750 /nfs/dbraw/zinc/13/97/50/1290139750.db2.gz RIEGLMOGGQWSBJ-UHFFFAOYSA-N 0 1 331.416 2.912 20 5 EFBDMN O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2cncn2c1 ZINC000803531875 1312769340 /nfs/dbraw/zinc/76/93/40/1312769340.db2.gz AOURHWVMFUVMPB-UHFFFAOYSA-N 0 1 333.250 2.878 20 5 EFBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795576666 1290615246 /nfs/dbraw/zinc/61/52/46/1290615246.db2.gz SPWLJDQHZFEGHE-UHFFFAOYSA-N 0 1 334.332 2.592 20 5 EFBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795576666 1290615253 /nfs/dbraw/zinc/61/52/53/1290615253.db2.gz SPWLJDQHZFEGHE-UHFFFAOYSA-N 0 1 334.332 2.592 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)nc2)c1F ZINC000126186189 1291036670 /nfs/dbraw/zinc/03/66/70/1291036670.db2.gz BFBJICKYXAPENG-UHFFFAOYSA-N 0 1 345.739 2.892 20 5 EFBDMN O=[N+]([O-])c1sc(CNC[C@H](O)c2ccco2)cc1Br ZINC000876917867 1291072750 /nfs/dbraw/zinc/07/27/50/1291072750.db2.gz XFZFFRNBJOQZRU-VIFPVBQESA-N 0 1 347.190 2.835 20 5 EFBDMN C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795825371 1291513019 /nfs/dbraw/zinc/51/30/19/1291513019.db2.gz SSQFBQWHSNMARA-OIBJUYFYSA-N 0 1 336.772 2.854 20 5 EFBDMN CSC[C@H]1CCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878200337 1291552485 /nfs/dbraw/zinc/55/24/85/1291552485.db2.gz NKYIWVNJQUOVCP-LLVKDONJSA-N 0 1 334.401 2.972 20 5 EFBDMN Cc1ccc(-c2ccc(N3CC[C@H](N)C(F)(F)C3)nn2)cc1[N+](=O)[O-] ZINC001166959017 1312872320 /nfs/dbraw/zinc/87/23/20/1312872320.db2.gz PDJAMYSQGYHOTN-AWEZNQCLSA-N 0 1 349.341 2.533 20 5 EFBDMN CCc1n[nH]cc1C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001190143343 1292001942 /nfs/dbraw/zinc/00/19/42/1292001942.db2.gz XZSPVGPWKIAQMU-UHFFFAOYSA-N 0 1 332.363 2.663 20 5 EFBDMN CCOc1ccc(N(C)C([O-])=[NH+]c2c(C)cncc2[N+](=O)[O-])cc1 ZINC000879214179 1292020909 /nfs/dbraw/zinc/02/09/09/1292020909.db2.gz PCRMAZGPEMLMFW-UHFFFAOYSA-N 0 1 330.344 2.787 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766209 1292263425 /nfs/dbraw/zinc/26/34/25/1292263425.db2.gz VUAIBFUCHNMOFK-IINYFYTJSA-N 0 1 345.321 2.799 20 5 EFBDMN COc1ccc(C(=O)[O-])cc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000903596209 1312916663 /nfs/dbraw/zinc/91/66/63/1312916663.db2.gz OHYLROMBAUQOME-UHFFFAOYSA-N 0 1 344.367 2.976 20 5 EFBDMN O=[N+]([O-])c1c(F)nccc1NC1CCN(Cc2ccccn2)CC1 ZINC000881818738 1293016181 /nfs/dbraw/zinc/01/61/81/1293016181.db2.gz SRMRVEUJTLXXSB-UHFFFAOYSA-N 0 1 331.351 2.600 20 5 EFBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000775547823 1293052199 /nfs/dbraw/zinc/05/21/99/1293052199.db2.gz CFNMWUYBKWHKBP-LBPRGKRZSA-N 0 1 329.356 2.898 20 5 EFBDMN Cc1nn(C)c(N2CCN([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000882811652 1293333463 /nfs/dbraw/zinc/33/34/63/1293333463.db2.gz BSQRXRSPBMFEOB-AWEZNQCLSA-N 0 1 329.404 2.520 20 5 EFBDMN CN1CCC[C@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)C1 ZINC001233902180 1313014975 /nfs/dbraw/zinc/01/49/75/1313014975.db2.gz QHKUWFCGHNMNOQ-JTQLQIEISA-N 0 1 332.316 2.524 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccs1 ZINC000132484415 1293667551 /nfs/dbraw/zinc/66/75/51/1293667551.db2.gz WCWFVJUPJGUYTB-CYBMUJFWSA-N 0 1 337.376 2.828 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CC(F)(F)F)cc1F ZINC000867116107 1293896642 /nfs/dbraw/zinc/89/66/42/1293896642.db2.gz YLDXUHFSRAFMPU-ZETCQYMHSA-N 0 1 344.286 2.662 20 5 EFBDMN Cc1ccc(O)c(C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)n1 ZINC001195331217 1293905786 /nfs/dbraw/zinc/90/57/86/1293905786.db2.gz VFHQZTVUXYWZEQ-UHFFFAOYSA-N 0 1 345.358 2.786 20 5 EFBDMN Cc1nc(C2CCN(c3cc(F)c([N+](=O)[O-])cc3CO)CC2)[nH]c1C ZINC000884705728 1294225733 /nfs/dbraw/zinc/22/57/33/1294225733.db2.gz GBNNAMANPJIGAR-UHFFFAOYSA-N 0 1 348.378 2.950 20 5 EFBDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000885263239 1294374565 /nfs/dbraw/zinc/37/45/65/1294374565.db2.gz RSFDUVJWXHTKCT-VFZGTOFNSA-N 0 1 333.319 2.866 20 5 EFBDMN CC1CCN(CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000136132805 1294489175 /nfs/dbraw/zinc/48/91/75/1294489175.db2.gz SLEHHDIMVUSRSH-UHFFFAOYSA-N 0 1 339.823 2.939 20 5 EFBDMN C/C(=C\C(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001234530809 1313148393 /nfs/dbraw/zinc/14/83/93/1313148393.db2.gz ZOAGURGEPPUFJO-SDNWHVSQSA-N 0 1 331.416 2.889 20 5 EFBDMN C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000775984563 1295571544 /nfs/dbraw/zinc/57/15/44/1295571544.db2.gz GXPULRSHJXABQH-GHMZBOCLSA-N 0 1 342.237 2.882 20 5 EFBDMN C[C@H](C[NH+](C)C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234742932 1313187980 /nfs/dbraw/zinc/18/79/80/1313187980.db2.gz VTHKRYJGBYUPCD-SNVBAGLBSA-N 0 1 329.352 2.686 20 5 EFBDMN C[C@H](C[N+](C)(C)C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234876730 1313201689 /nfs/dbraw/zinc/20/16/89/1313201689.db2.gz JNMKRUAFFAUCMU-MRVPVSSYSA-O 0 1 334.190 2.536 20 5 EFBDMN C[C@]12CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933705549 1297507616 /nfs/dbraw/zinc/50/76/16/1297507616.db2.gz 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EFBDMN CC(C)c1n[nH]c(COC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000795235156 1300346925 /nfs/dbraw/zinc/34/69/25/1300346925.db2.gz IKLYRBWJCFXANB-UHFFFAOYSA-N 0 1 336.373 2.672 20 5 EFBDMN CC(C)c1nc(COC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000795235156 1300346936 /nfs/dbraw/zinc/34/69/36/1300346936.db2.gz IKLYRBWJCFXANB-UHFFFAOYSA-N 0 1 336.373 2.672 20 5 EFBDMN C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1NC(=O)C(F)(F)F ZINC000853986966 1300377175 /nfs/dbraw/zinc/37/71/75/1300377175.db2.gz WMOGGSWKYZJFQL-SFYZADRCSA-N 0 1 337.323 2.550 20 5 EFBDMN C[C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989224 1300458541 /nfs/dbraw/zinc/45/85/41/1300458541.db2.gz CQDNJHAWUGEFNF-QMMMGPOBSA-N 0 1 349.734 2.625 20 5 EFBDMN CCOc1ccc(C(=O)OCc2nc(C(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000795297539 1300676972 /nfs/dbraw/zinc/67/69/72/1300676972.db2.gz LOHUKPTWZXAIRZ-UHFFFAOYSA-N 0 1 334.332 2.592 20 5 EFBDMN CCOc1ccc(C(=O)OCc2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000795297539 1300676980 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ZINC001072466704 1316388992 /nfs/dbraw/zinc/38/89/92/1316388992.db2.gz PCOXHTNUQOIUMC-UHFFFAOYSA-N 0 1 341.367 2.536 20 5 EFBDMN CN1CCCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001262652785 1316477435 /nfs/dbraw/zinc/47/74/35/1316477435.db2.gz PXYIIPIZVSLTOB-NSHDSACASA-N 0 1 345.321 2.828 20 5 EFBDMN CC[C@@H](CC(F)(F)F)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001263273308 1316525332 /nfs/dbraw/zinc/52/53/32/1316525332.db2.gz AARKHQXZSQCWMX-GXFFZTMASA-N 0 1 333.310 2.616 20 5 EFBDMN CC(C)(C)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001318612423 1328651812 /nfs/dbraw/zinc/65/18/12/1328651812.db2.gz NJCIJDKBLRYZPV-UHFFFAOYSA-N 0 1 339.823 2.733 20 5 EFBDMN O=[N+]([O-])c1ccc(/C=C\c2nc([C@@H]3CN4CCC3CC4)no2)cc1 ZINC001320495016 1329145463 /nfs/dbraw/zinc/14/54/63/1329145463.db2.gz CHGIAGWJKFNWIV-OMVNSRBRSA-N 0 1 326.356 2.957 20 5 EFBDMN CC(C)n1cc2c(n1)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)CCC2 ZINC001320546264 1329159504 /nfs/dbraw/zinc/15/95/04/1329159504.db2.gz LTYDEIDRKBXJCQ-HNNXBMFYSA-N 0 1 344.371 2.885 20 5 EFBDMN CCOC(=O)C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001320870061 1329312371 /nfs/dbraw/zinc/31/23/71/1329312371.db2.gz XVGALYPIFSAUSZ-AWEZNQCLSA-N 0 1 336.388 2.911 20 5 EFBDMN Cc1c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])ccc2cncn21 ZINC001323490387 1329546560 /nfs/dbraw/zinc/54/65/60/1329546560.db2.gz OCIGFDBKUAMVAX-UHFFFAOYSA-N 0 1 338.367 2.866 20 5 EFBDMN CCc1n[nH]c(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC001324092208 1329598661 /nfs/dbraw/zinc/59/86/61/1329598661.db2.gz ZDWXRCYZZOBUII-UHFFFAOYSA-N 0 1 330.131 2.834 20 5 EFBDMN CCc1nc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC001324092208 1329598664 /nfs/dbraw/zinc/59/86/64/1329598664.db2.gz ZDWXRCYZZOBUII-UHFFFAOYSA-N 0 1 330.131 2.834 20 5 EFBDMN CC(C)(O)CN1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001333362137 1331124889 /nfs/dbraw/zinc/12/48/89/1331124889.db2.gz XAGMYSBTUHFQDM-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@H]4OCCC[C@@H]4C3)c2)cc1 ZINC001333605288 1331179533 /nfs/dbraw/zinc/17/95/33/1331179533.db2.gz KXRKYROSPXDTQZ-CRAIPNDOSA-N 0 1 342.399 2.917 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@H]4OCCC[C@H]4C3)c2)cc1 ZINC001333605291 1331179688 /nfs/dbraw/zinc/17/96/88/1331179688.db2.gz KXRKYROSPXDTQZ-MAUKXSAKSA-N 0 1 342.399 2.917 20 5 EFBDMN C[C@@](N)(C(=O)NCc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC001335738789 1331396290 /nfs/dbraw/zinc/39/62/90/1331396290.db2.gz GRROEKVMVMSSDS-IBGZPJMESA-N 0 1 339.395 2.574 20 5 EFBDMN CC(C)(CO)N1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001336692278 1331493101 /nfs/dbraw/zinc/49/31/01/1331493101.db2.gz JHZHWJYTAFYJSV-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCS[C@H]1C(F)(F)F ZINC001338043741 1331640488 /nfs/dbraw/zinc/64/04/88/1331640488.db2.gz ZVAHTFSPSRYADD-NSHDSACASA-N 0 1 346.290 2.549 20 5 EFBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3CC=CCC3)c2)CC1 ZINC001338334942 1331693892 /nfs/dbraw/zinc/69/38/92/1331693892.db2.gz HOOPPJJIORKQNF-AWEZNQCLSA-N 0 1 344.415 2.641 20 5 EFBDMN C[C@H]1CC[C@@H](C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])C1 ZINC001339066823 1331781681 /nfs/dbraw/zinc/78/16/81/1331781681.db2.gz YVDWGPOCJICRJF-UONOGXRCSA-N 0 1 346.431 2.721 20 5 EFBDMN CC(C)[C@@H](C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001339066841 1331781900 /nfs/dbraw/zinc/78/19/00/1331781900.db2.gz ZLMKBMTVQBSBET-CYBMUJFWSA-N 0 1 334.420 2.577 20 5 EFBDMN CC/C(C)=C/C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001339065358 1331782149 /nfs/dbraw/zinc/78/21/49/1331782149.db2.gz HXCFJVNSRDDTON-ACCUITESSA-N 0 1 332.404 2.641 20 5 EFBDMN CCOc1ccc([C@@H](C)NCc2c(C)c(C)n[nH]c2=O)cc1[N+](=O)[O-] ZINC001341693348 1332277696 /nfs/dbraw/zinc/27/76/96/1332277696.db2.gz WMKYCUPYAZBLQV-GFCCVEGCSA-N 0 1 346.387 2.957 20 5 EFBDMN CCC(C)(C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 ZINC001349825396 1333002226 /nfs/dbraw/zinc/00/22/26/1333002226.db2.gz LQAOBOOKGORMJE-UHFFFAOYSA-N 0 1 334.420 2.583 20 5 EFBDMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000847304940 1333514178 /nfs/dbraw/zinc/51/41/78/1333514178.db2.gz AKPYNPLPFKEEDW-JTQLQIEISA-N 0 1 336.779 2.809 20 5 EFBDMN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)OCc1cc(C2CC2)[nH]n1 ZINC000848010479 1334145389 /nfs/dbraw/zinc/14/53/89/1334145389.db2.gz JVMSZPYBVGGBDE-UHFFFAOYSA-N 0 1 343.339 2.902 20 5 EFBDMN COc1cc(C(=O)OCc2cc(C3CC3)[nH]n2)c([N+](=O)[O-])cc1OC ZINC000848015292 1334154905 /nfs/dbraw/zinc/15/49/05/1334154905.db2.gz IMBBFCTYINALNL-UHFFFAOYSA-N 0 1 347.327 2.570 20 5 EFBDMN CCOC[C@@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848480520 1334738334 /nfs/dbraw/zinc/73/83/34/1334738334.db2.gz OCAKPYHFEAEAMM-CQSZACIVSA-N 0 1 330.388 2.774 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)c(CNCc2n[nH]c([C@@H]3CCCO3)n2)c1 ZINC000848562849 1334796973 /nfs/dbraw/zinc/79/69/73/1334796973.db2.gz NUEAOSQQMPTIQY-LBPRGKRZSA-N 0 1 337.767 2.508 20 5 EFBDMN O=[N+]([O-])c1cc(F)c(N2CCC[C@H](N3CCOCC3)CC2)c(F)c1 ZINC000848792985 1334901507 /nfs/dbraw/zinc/90/15/07/1334901507.db2.gz FKDQETDRLLBWRA-LBPRGKRZSA-N 0 1 341.358 2.564 20 5 EFBDMN C[C@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001356510011 1335045921 /nfs/dbraw/zinc/04/59/21/1335045921.db2.gz AHBFRZBUSUDFBG-HZMBPMFUSA-N 0 1 346.353 2.660 20 5 EFBDMN Cc1c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)n[nH]c1C(F)(F)F ZINC001358007497 1335353969 /nfs/dbraw/zinc/35/39/69/1335353969.db2.gz VXWQIYVEFKJFIA-UHFFFAOYSA-N 0 1 340.261 2.801 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820570310 1428666833 /nfs/dbraw/zinc/66/68/33/1428666833.db2.gz GUUGVAFSWXCNEG-LBPRGKRZSA-N 0 1 338.371 2.968 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820570310 1428666842 /nfs/dbraw/zinc/66/68/42/1428666842.db2.gz GUUGVAFSWXCNEG-LBPRGKRZSA-N 0 1 338.371 2.968 20 5 EFBDMN O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000738368010 1427366038 /nfs/dbraw/zinc/36/60/38/1427366038.db2.gz BQHPBCTWVJOHEE-XBXARRHUSA-N 0 1 336.355 2.578 20 5 EFBDMN CC[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000120161217 712965436 /nfs/dbraw/zinc/96/54/36/712965436.db2.gz VHGISFAARHKRQW-JTQLQIEISA-N 0 1 345.402 2.691 20 5 EFBDMN O=C(N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1)C1CC2(CCC2)C1 ZINC001020487552 713068348 /nfs/dbraw/zinc/06/83/48/713068348.db2.gz DNMZBGUYICCWAF-HDJSIYSDSA-N 0 1 349.456 2.973 20 5 EFBDMN Cc1nc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n[nH]1 ZINC000840648428 713411832 /nfs/dbraw/zinc/41/18/32/713411832.db2.gz JMXNSOFXTRCZBD-SECBINFHSA-N 0 1 334.332 2.727 20 5 EFBDMN Cc1cc(C(=O)N[C@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C2)oc1C ZINC001021967819 714624561 /nfs/dbraw/zinc/62/45/61/714624561.db2.gz GQEHKZKIDACFSD-BETUJISGSA-N 0 1 349.412 2.917 20 5 EFBDMN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H](C)[N@@H+]1C ZINC000235668657 718000990 /nfs/dbraw/zinc/00/09/90/718000990.db2.gz QRIWWIUQAFGJPY-PHIMTYICSA-N 0 1 342.237 2.882 20 5 EFBDMN CC(C)CN1CCO[C@@H](COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255382916 714922350 /nfs/dbraw/zinc/92/23/50/714922350.db2.gz RILQHCINUHLDAO-CTEOGUNLSA-N 0 1 348.399 2.508 20 5 EFBDMN CN(Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000985448534 724388933 /nfs/dbraw/zinc/38/89/33/724388933.db2.gz QJDFZQSATGMAQA-UHFFFAOYSA-N 0 1 348.428 2.721 20 5 EFBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)C(C1CC1)C1CC1 ZINC001022955084 716012235 /nfs/dbraw/zinc/01/22/35/716012235.db2.gz YUBRDXNXISMSEU-OKILXGFUSA-N 0 1 349.456 2.829 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCO[C@H]1CCOC1 ZINC000897200664 724074747 /nfs/dbraw/zinc/07/47/47/724074747.db2.gz ZLRKQWFFGSHBRD-LBPRGKRZSA-N 0 1 334.294 2.509 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925244949 724472858 /nfs/dbraw/zinc/47/28/58/724472858.db2.gz WMKRQDDMCDCBOY-UKRRQHHQSA-N 0 1 334.420 2.782 20 5 EFBDMN O=C(C1CCC1)N1CC2(C1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000981571933 718818711 /nfs/dbraw/zinc/81/87/11/718818711.db2.gz IWPFEBRLVCKTFM-UHFFFAOYSA-N 0 1 343.427 2.819 20 5 EFBDMN CC1(C(=O)N2CC3(C2)CCCN(Cc2cccc([N+](=O)[O-])c2)C3)CC1 ZINC000981786453 719034618 /nfs/dbraw/zinc/03/46/18/719034618.db2.gz JSGRXYYEVKQMHC-UHFFFAOYSA-N 0 1 343.427 2.819 20 5 EFBDMN C[C@@H]1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC001164634165 719177870 /nfs/dbraw/zinc/17/78/70/719177870.db2.gz ILDFHUXHOQHSOH-ZJUUUORDSA-N 0 1 335.795 2.720 20 5 EFBDMN CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CC1 ZINC001025961501 719580697 /nfs/dbraw/zinc/58/06/97/719580697.db2.gz DKERNWGYAIOYJN-FVQHAEBGSA-N 0 1 343.427 2.577 20 5 EFBDMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CC1 ZINC001025961501 719580698 /nfs/dbraw/zinc/58/06/98/719580698.db2.gz DKERNWGYAIOYJN-FVQHAEBGSA-N 0 1 343.427 2.577 20 5 EFBDMN COc1c(O)ccc(CN2CCC([C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000893902868 720147672 /nfs/dbraw/zinc/14/76/72/720147672.db2.gz ZHSXULZXFVHBPS-HNNXBMFYSA-N 0 1 336.388 2.700 20 5 EFBDMN Cc1nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164725543 720332980 /nfs/dbraw/zinc/33/29/80/720332980.db2.gz NLVGVVHBHPNRRU-IAGOWNOFSA-N 0 1 339.399 2.546 20 5 EFBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000178943647 723132381 /nfs/dbraw/zinc/13/23/81/723132381.db2.gz IQWSSHBCCAJKNB-UHFFFAOYSA-N 0 1 339.411 2.524 20 5 EFBDMN O=C(OCc1cccnc1[N+](=O)[O-])c1ccc(CN2CCCCC2)o1 ZINC000923835315 728858502 /nfs/dbraw/zinc/85/85/02/728858502.db2.gz LSNZHVPXTNQLCW-UHFFFAOYSA-N 0 1 345.355 2.926 20 5 EFBDMN C[C@@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895249721 723938369 /nfs/dbraw/zinc/93/83/69/723938369.db2.gz VADKNPQETWQUDN-MFKMUULPSA-N 0 1 346.353 2.660 20 5 EFBDMN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000895247492 723941761 /nfs/dbraw/zinc/94/17/61/723941761.db2.gz UTKKGZDNQNLYDM-QMTHXVAHSA-N 0 1 346.353 2.660 20 5 EFBDMN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CN(C)CCN1C ZINC000895247492 723941770 /nfs/dbraw/zinc/94/17/70/723941770.db2.gz UTKKGZDNQNLYDM-QMTHXVAHSA-N 0 1 346.353 2.660 20 5 EFBDMN CCO/C=C\[C@@](O)(CNCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000895706922 724266177 /nfs/dbraw/zinc/26/61/77/724266177.db2.gz AFCHPCJYCYLGOL-FMFIFOJESA-N 0 1 334.294 2.528 20 5 EFBDMN O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000139333081 728897399 /nfs/dbraw/zinc/89/73/99/728897399.db2.gz PFOWBKWPTCPMBL-IAGOWNOFSA-N 0 1 338.363 2.570 20 5 EFBDMN N=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 ZINC000152018660 725905966 /nfs/dbraw/zinc/90/59/66/725905966.db2.gz ZLGZQNCKORTPJP-CYBMUJFWSA-N 0 1 342.746 2.694 20 5 EFBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000031555844 726254399 /nfs/dbraw/zinc/25/43/99/726254399.db2.gz DBEGHPUAMWTQAZ-UHFFFAOYSA-N 0 1 337.313 2.612 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCN(C[C@H]3CCCO3)CC2)ccc1Cl ZINC000915223975 726905156 /nfs/dbraw/zinc/90/51/56/726905156.db2.gz VHCGZGPQJJVEML-CQSZACIVSA-N 0 1 339.823 2.545 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)CCc2ccccc2F)c1[N+](=O)[O-] ZINC000731837252 726940525 /nfs/dbraw/zinc/94/05/25/726940525.db2.gz NTPPJQOSKRSNKG-UHFFFAOYSA-N 0 1 334.351 2.724 20 5 EFBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000732575998 727161937 /nfs/dbraw/zinc/16/19/37/727161937.db2.gz SIMDPLYVNAVRBG-UHFFFAOYSA-N 0 1 344.718 2.681 20 5 EFBDMN C[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000910342830 727432532 /nfs/dbraw/zinc/43/25/32/727432532.db2.gz ADGKWZPJMOVDBU-CHWSQXEVSA-N 0 1 335.404 2.897 20 5 EFBDMN CN(CC[N@@H+](C)C1CCCCC1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000910347312 727432846 /nfs/dbraw/zinc/43/28/46/727432846.db2.gz XOKISNIYTNFXLA-UHFFFAOYSA-N 0 1 349.431 2.923 20 5 EFBDMN C[C@H](CN1CCN(C)CC1)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596124570 728340367 /nfs/dbraw/zinc/34/03/67/728340367.db2.gz YYIGWZSIIYVAHI-LLVKDONJSA-N 0 1 328.363 2.580 20 5 EFBDMN Cc1ccc(CNCC(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000237762811 729621330 /nfs/dbraw/zinc/62/13/30/729621330.db2.gz UFXYLDLNAAMRAJ-UHFFFAOYSA-N 0 1 339.395 2.972 20 5 EFBDMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001595012943 951271911 /nfs/dbraw/zinc/27/19/11/951271911.db2.gz XUYQDTFOXSOAKX-LLVKDONJSA-N 0 1 332.360 2.690 20 5 EFBDMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901415579 956305038 /nfs/dbraw/zinc/30/50/38/956305038.db2.gz LCJLJGSRYULPDC-SNVBAGLBSA-N 0 1 332.278 2.910 20 5 EFBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901514061 956333031 /nfs/dbraw/zinc/33/30/31/956333031.db2.gz ZDFVWLQQBQPHSC-ZDUSSCGKSA-N 0 1 332.278 2.910 20 5 EFBDMN C[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901512928 956333870 /nfs/dbraw/zinc/33/38/70/956333870.db2.gz MYNVOXNUTUTZNC-NSHDSACASA-N 0 1 349.206 2.715 20 5 EFBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901512928 956333882 /nfs/dbraw/zinc/33/38/82/956333882.db2.gz MYNVOXNUTUTZNC-NSHDSACASA-N 0 1 349.206 2.715 20 5 EFBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001573712738 959859226 /nfs/dbraw/zinc/85/92/26/959859226.db2.gz VIJDHGKYIRPWTC-AAEUAGOBSA-N 0 1 345.355 2.935 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000716177826 977812308 /nfs/dbraw/zinc/81/23/08/977812308.db2.gz NTKYTJLNLJFQLC-HNNXBMFYSA-N 0 1 341.367 2.979 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000716177827 977812571 /nfs/dbraw/zinc/81/25/71/977812571.db2.gz NTKYTJLNLJFQLC-OAHLLOKOSA-N 0 1 341.367 2.979 20 5 EFBDMN O=C([O-])[C@@]1(F)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000901512770 980328628 /nfs/dbraw/zinc/32/86/28/980328628.db2.gz AFXDJZYBKDNQJF-MRXNPFEDSA-N 0 1 334.303 2.853 20 5 EFBDMN O=C([O-])[C@@]1(F)CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000901512770 980328634 /nfs/dbraw/zinc/32/86/34/980328634.db2.gz AFXDJZYBKDNQJF-MRXNPFEDSA-N 0 1 334.303 2.853 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000901678852 980441706 /nfs/dbraw/zinc/44/17/06/980441706.db2.gz QNANTTJRABSHNY-QXSWTLKVSA-N 0 1 348.399 2.954 20 5 EFBDMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000902007662 980684687 /nfs/dbraw/zinc/68/46/87/980684687.db2.gz NRLAUVXJWKSMIF-JTQLQIEISA-N 0 1 330.287 2.635 20 5 EFBDMN Cc1c(C[N@H+]2CCOc3ccccc3[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000903929036 981049634 /nfs/dbraw/zinc/04/96/34/981049634.db2.gz VDOMGXWPYSQMAT-KRWDZBQOSA-N 0 1 342.351 2.924 20 5 EFBDMN CC[N@H+](CCC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Br ZINC001596314934 983746669 /nfs/dbraw/zinc/74/66/69/983746669.db2.gz UZRJTLWXQUEIEX-UHFFFAOYSA-N 0 1 331.166 2.654 20 5 EFBDMN CC[N@@H+](CCC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Br ZINC001596314934 983746672 /nfs/dbraw/zinc/74/66/72/983746672.db2.gz UZRJTLWXQUEIEX-UHFFFAOYSA-N 0 1 331.166 2.654 20 5 EFBDMN C[N@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC001598520291 992671558 /nfs/dbraw/zinc/67/15/58/992671558.db2.gz TWMUFTQHUJZAKL-ZDUSSCGKSA-N 0 1 334.372 2.846 20 5 EFBDMN C[C@@]([NH2+]Cc1cccc(Cl)n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304507 994748500 /nfs/dbraw/zinc/74/85/00/994748500.db2.gz MXXDIDOJBDOMQG-HNNXBMFYSA-N 0 1 335.747 2.733 20 5 EFBDMN C[C@]([NH2+]Cc1ccncc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593310699 994774087 /nfs/dbraw/zinc/77/40/87/994774087.db2.gz JQHMNIFJIMZJQF-OAHLLOKOSA-N 0 1 335.747 2.733 20 5 EFBDMN C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593458950 995371872 /nfs/dbraw/zinc/37/18/72/995371872.db2.gz LHRHSXADWPAZMG-ZDUSSCGKSA-N 0 1 344.367 2.676 20 5 EFBDMN COc1ccc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c(OC)c1 ZINC001599532760 997687502 /nfs/dbraw/zinc/68/75/02/997687502.db2.gz VSFUEIFFFYMDIA-INIZCTEOSA-N 0 1 346.339 2.528 20 5 EFBDMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC001594103447 998135394 /nfs/dbraw/zinc/13/53/94/998135394.db2.gz WLZPEHIMQOKTJU-ZBFHGGJFSA-N 0 1 346.383 2.922 20 5 EFBDMN C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001594167898 998648409 /nfs/dbraw/zinc/64/84/09/998648409.db2.gz SNZUSXKFANNXDM-WCBMZHEXSA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001594167898 998648419 /nfs/dbraw/zinc/64/84/19/998648419.db2.gz SNZUSXKFANNXDM-WCBMZHEXSA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@@H](NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001576176304 1088978125 /nfs/dbraw/zinc/97/81/25/1088978125.db2.gz VGVDBCQAEANOCT-BMLIUANNSA-N 0 1 349.337 2.924 20 5 EFBDMN CC[C@@H](NC(=O)N[C@H](c1c[nH]nn1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001576603232 1089351557 /nfs/dbraw/zinc/35/15/57/1089351557.db2.gz OKAFKQYUGAWYHZ-HIFRSBDPSA-N 0 1 346.391 2.861 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCNC[C@H]2c2ccccc2)c1C ZINC001579734341 1090674606 /nfs/dbraw/zinc/67/46/06/1090674606.db2.gz FONQXEKOSFWDHP-KRWDZBQOSA-N 0 1 339.395 2.998 20 5 EFBDMN Cc1ccccc1[C@@H](N)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001579790307 1090688189 /nfs/dbraw/zinc/68/81/89/1090688189.db2.gz QSMNPEURBFAUQB-QGZVFWFLSA-N 0 1 327.384 2.604 20 5 EFBDMN NCc1nc2cc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc2[nH]1 ZINC001580352469 1090874144 /nfs/dbraw/zinc/87/41/44/1090874144.db2.gz NEWUNWPYDXSBLT-UHFFFAOYSA-N 0 1 345.746 2.836 20 5 EFBDMN Cc1c(CNCc2ccc(-c3nn[nH]n3)c(F)c2)cccc1[N+](=O)[O-] ZINC001580550923 1090944664 /nfs/dbraw/zinc/94/46/64/1090944664.db2.gz LZJDMIMNIQKKHV-UHFFFAOYSA-N 0 1 342.334 2.512 20 5 EFBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[nH]n2)ccn1 ZINC001589974047 1093205662 /nfs/dbraw/zinc/20/56/62/1093205662.db2.gz OIGIIRZKURKBFH-WDEREUQCSA-N 0 1 339.359 2.582 20 5 EFBDMN CCCCCCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001590595861 1093506872 /nfs/dbraw/zinc/50/68/72/1093506872.db2.gz NAYHTBDCQNFZSC-UHFFFAOYSA-N 0 1 342.359 2.670 20 5 EFBDMN CCCCCCn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001590595861 1093506880 /nfs/dbraw/zinc/50/68/80/1093506880.db2.gz NAYHTBDCQNFZSC-UHFFFAOYSA-N 0 1 342.359 2.670 20 5 EFBDMN CCCC[N@H+](C)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590600508 1093509724 /nfs/dbraw/zinc/50/97/24/1093509724.db2.gz KYBDNPQLHQHGHX-GFCCVEGCSA-N 0 1 347.423 2.616 20 5 EFBDMN CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590600508 1093509733 /nfs/dbraw/zinc/50/97/33/1093509733.db2.gz KYBDNPQLHQHGHX-GFCCVEGCSA-N 0 1 347.423 2.616 20 5 EFBDMN CCCC[N@H+](C)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590600508 1093509742 /nfs/dbraw/zinc/50/97/42/1093509742.db2.gz KYBDNPQLHQHGHX-GFCCVEGCSA-N 0 1 347.423 2.616 20 5 EFBDMN CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590600508 1093509750 /nfs/dbraw/zinc/50/97/50/1093509750.db2.gz KYBDNPQLHQHGHX-GFCCVEGCSA-N 0 1 347.423 2.616 20 5 EFBDMN Cc1cn2cc(Nc3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])ccc2[nH+]1 ZINC001600106685 1094773818 /nfs/dbraw/zinc/77/38/18/1094773818.db2.gz REIUHNDQQQHUTP-UHFFFAOYSA-N 0 1 327.300 2.696 20 5 EFBDMN Cc1cn2cc(Nc3ccc(CC(=O)[O-])cc3[N+](=O)[O-])ccc2[nH+]1 ZINC001600613463 1095210762 /nfs/dbraw/zinc/21/07/62/1095210762.db2.gz KIGDVTWYWIMWHR-UHFFFAOYSA-N 0 1 326.312 2.922 20 5 EFBDMN Cc1nn(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c2cc([N+](=O)[O-])ccc12 ZINC001600788924 1095334386 /nfs/dbraw/zinc/33/43/86/1095334386.db2.gz KWSBUNHRYXZBSP-LBPRGKRZSA-N 0 1 332.360 2.540 20 5 EFBDMN Cc1noc(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001600812947 1095349828 /nfs/dbraw/zinc/34/98/28/1095349828.db2.gz RWJUUUHBSYGLBF-NSHDSACASA-N 0 1 333.344 2.614 20 5 EFBDMN Cc1noc(C[N@@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001600812947 1095349841 /nfs/dbraw/zinc/34/98/41/1095349841.db2.gz RWJUUUHBSYGLBF-NSHDSACASA-N 0 1 333.344 2.614 20 5 EFBDMN CN(C[C@@H]1CCCOC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000107670134 1095614003 /nfs/dbraw/zinc/61/40/03/1095614003.db2.gz CXZBZUGCEIXYLP-AWEZNQCLSA-N 0 1 330.388 2.774 20 5 EFBDMN Cc1ncc(C(=O)N(C)CCCN(C)c2ccc(C)cc2[N+](=O)[O-])[nH]1 ZINC001112046412 1095774281 /nfs/dbraw/zinc/77/42/81/1095774281.db2.gz WAGBOOGXBHWCLL-UHFFFAOYSA-N 0 1 345.403 2.533 20 5 EFBDMN O=C([O-])[C@@H]1[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1(F)F ZINC001601748758 1095886017 /nfs/dbraw/zinc/88/60/17/1095886017.db2.gz IRKMODAWGGEQJG-STQMWFEESA-N 0 1 326.299 2.525 20 5 EFBDMN O=C([O-])/C=C/c1ccc(N[C@@H]2CCC[N@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC001601882311 1095955349 /nfs/dbraw/zinc/95/53/49/1095955349.db2.gz JDMWKRLIXKZWGS-DIECRNLCSA-N 0 1 337.351 2.538 20 5 EFBDMN O=C([O-])/C=C/c1ccc(N[C@@H]2CCC[N@@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC001601882311 1095955352 /nfs/dbraw/zinc/95/53/52/1095955352.db2.gz JDMWKRLIXKZWGS-DIECRNLCSA-N 0 1 337.351 2.538 20 5 EFBDMN O=C([O-])/C=C/c1ccc(N[C@H]2CCC[N@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC001601882309 1095955682 /nfs/dbraw/zinc/95/56/82/1095955682.db2.gz JDMWKRLIXKZWGS-BPJJOFIESA-N 0 1 337.351 2.538 20 5 EFBDMN O=C([O-])/C=C/c1ccc(N[C@H]2CCC[N@@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC001601882309 1095955694 /nfs/dbraw/zinc/95/56/94/1095955694.db2.gz JDMWKRLIXKZWGS-BPJJOFIESA-N 0 1 337.351 2.538 20 5 EFBDMN O=C([O-])COc1ccc(CNc2ccc3[nH]c[nH+]c3c2)cc1[N+](=O)[O-] ZINC001602084904 1096052796 /nfs/dbraw/zinc/05/27/96/1096052796.db2.gz KWNUSSKIUOXHKT-UHFFFAOYSA-N 0 1 342.311 2.547 20 5 EFBDMN O=C([O-])c1c(Cl)c(N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC001602232768 1096128938 /nfs/dbraw/zinc/12/89/38/1096128938.db2.gz LZYPGAXKQIBGIX-UHFFFAOYSA-N 0 1 339.779 2.621 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC001602985430 1096416810 /nfs/dbraw/zinc/41/68/10/1096416810.db2.gz YJZSHSZGVAYGMX-RQPMMQJISA-N 0 1 336.388 2.808 20 5 EFBDMN CC(C)(C)[N@H+]1CC[C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001603343841 1096509778 /nfs/dbraw/zinc/50/97/78/1096509778.db2.gz QDXOVJJVNVHCPV-CYBMUJFWSA-N 0 1 335.404 2.754 20 5 EFBDMN CC(C)[C@@H]1[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1(C)C ZINC001603761952 1096616416 /nfs/dbraw/zinc/61/64/16/1096616416.db2.gz LIYIGZOHEXVGKE-INIZCTEOSA-N 0 1 336.388 2.925 20 5 EFBDMN CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604286255 1096795745 /nfs/dbraw/zinc/79/57/45/1096795745.db2.gz YWQLPGKFLLAISO-GFCCVEGCSA-N 0 1 347.423 2.697 20 5 EFBDMN CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604286255 1096795750 /nfs/dbraw/zinc/79/57/50/1096795750.db2.gz YWQLPGKFLLAISO-GFCCVEGCSA-N 0 1 347.423 2.697 20 5 EFBDMN CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001604552844 1096901460 /nfs/dbraw/zinc/90/14/60/1096901460.db2.gz HIAUKOXLUXKARV-UHFFFAOYSA-N 0 1 344.371 2.601 20 5 EFBDMN CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001604552844 1096901466 /nfs/dbraw/zinc/90/14/66/1096901466.db2.gz HIAUKOXLUXKARV-UHFFFAOYSA-N 0 1 344.371 2.601 20 5 EFBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001604637452 1096919283 /nfs/dbraw/zinc/91/92/83/1096919283.db2.gz SOIZJLMJVHGYON-LDYMZIIASA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001604786448 1096955762 /nfs/dbraw/zinc/95/57/62/1096955762.db2.gz SXORWILKIGBDJW-VHSXEESVSA-N 0 1 341.795 2.723 20 5 EFBDMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001605443044 1097126487 /nfs/dbraw/zinc/12/64/87/1097126487.db2.gz PSHNEFYOPIJROK-UHFFFAOYSA-N 0 1 331.166 2.654 20 5 EFBDMN CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)[C@H](C)C1 ZINC001605479159 1097134551 /nfs/dbraw/zinc/13/45/51/1097134551.db2.gz USYJTHRZBJRIJO-SNVBAGLBSA-N 0 1 341.795 2.867 20 5 EFBDMN 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Cc1[nH]nc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000264204248 246179368 /nfs/dbraw/zinc/17/93/68/246179368.db2.gz QDSRMVVHOXYTGA-AWEZNQCLSA-N 0 1 328.372 2.864 20 5 EFBDMN CCc1ccc(C(=O)N2CCNC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000424000238 246674343 /nfs/dbraw/zinc/67/43/43/246674343.db2.gz OAWDSROGXVEKQP-GOSISDBHSA-N 0 1 339.395 2.944 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425694689 247170558 /nfs/dbraw/zinc/17/05/58/247170558.db2.gz XJVXOYMOQLKZPX-JLJPHGGASA-N 0 1 346.431 2.700 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC1(O)CCCCCC1 ZINC000426247693 247254688 /nfs/dbraw/zinc/25/46/88/247254688.db2.gz GDXQFEYRRLAVSA-UHFFFAOYSA-N 0 1 349.431 2.859 20 5 EFBDMN CCc1nc(C)c(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000426326605 247262594 /nfs/dbraw/zinc/26/25/94/247262594.db2.gz YPAOIRHPGUIPMD-LLVKDONJSA-N 0 1 346.387 2.961 20 5 EFBDMN CCN(CCNC(=O)c1ccc([N+](=O)[O-])s1)CCC(F)(F)F ZINC000427203836 247329901 /nfs/dbraw/zinc/32/99/01/247329901.db2.gz KZHVJLXWXSCKKG-UHFFFAOYSA-N 0 1 339.339 2.660 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000427625686 247374748 /nfs/dbraw/zinc/37/47/48/247374748.db2.gz GRMVVXBJOOZYQB-UHFFFAOYSA-N 0 1 344.302 2.549 20 5 EFBDMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000433090184 248014446 /nfs/dbraw/zinc/01/44/46/248014446.db2.gz KJCHCQVHSCKRPL-UHFFFAOYSA-N 0 1 349.310 2.509 20 5 EFBDMN COCCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCSC1 ZINC000433197716 248028189 /nfs/dbraw/zinc/02/81/89/248028189.db2.gz UFWMTXUTIKBIMU-HNNXBMFYSA-N 0 1 340.445 2.947 20 5 EFBDMN COCCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC(C)C ZINC000092563504 218150498 /nfs/dbraw/zinc/15/04/98/218150498.db2.gz HCJPAIOPYRRSAE-UHFFFAOYSA-N 0 1 326.393 2.716 20 5 EFBDMN O=C(NCCc1ccc2[nH]ccc2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000442994863 250148480 /nfs/dbraw/zinc/14/84/80/250148480.db2.gz AENPTUDWVSFDTG-UHFFFAOYSA-N 0 1 349.350 2.925 20 5 EFBDMN CC(C)C1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000444199998 250270607 /nfs/dbraw/zinc/27/06/07/250270607.db2.gz BWORQMOKVNEYBA-UHFFFAOYSA-N 0 1 331.416 2.852 20 5 EFBDMN CNC(=O)c1ccc(N(C)Cc2cc(C(C)(C)C)[nH]n2)c([N+](=O)[O-])c1 ZINC000444869801 250359782 /nfs/dbraw/zinc/35/97/82/250359782.db2.gz HQGZZVIRLFEDNW-UHFFFAOYSA-N 0 1 345.403 2.611 20 5 EFBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1nc2sccn2c1[N+](=O)[O-] ZINC000444877444 250360660 /nfs/dbraw/zinc/36/06/60/250360660.db2.gz QYXJECNACMCWIL-UHFFFAOYSA-N 0 1 334.405 2.961 20 5 EFBDMN CCN1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000449520294 251051515 /nfs/dbraw/zinc/05/15/15/251051515.db2.gz RUHWBRDBWOZXTF-ZDUSSCGKSA-N 0 1 329.356 2.565 20 5 EFBDMN C[C@H](N[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000267434011 251054303 /nfs/dbraw/zinc/05/43/03/251054303.db2.gz HNEKAFXALSAFPJ-RYUDHWBXSA-N 0 1 349.412 2.654 20 5 EFBDMN CCO[C@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000449499545 251044761 /nfs/dbraw/zinc/04/47/61/251044761.db2.gz TYXYEVTWWHLBCD-DOMZBBRYSA-N 0 1 338.404 2.859 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000450150472 251277800 /nfs/dbraw/zinc/27/78/00/251277800.db2.gz YWPDQLZRQFGTNZ-BETUJISGSA-N 0 1 326.356 2.857 20 5 EFBDMN O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000452592004 251915402 /nfs/dbraw/zinc/91/54/02/251915402.db2.gz PTBUSMBNVHMEHA-LBPRGKRZSA-N 0 1 338.726 2.992 20 5 EFBDMN Cc1ncccc1NC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453444164 252039150 /nfs/dbraw/zinc/03/91/50/252039150.db2.gz OCDFLCUYXNWUCI-YPMHNXCESA-N 0 1 328.372 2.976 20 5 EFBDMN C[C@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268822700 252272299 /nfs/dbraw/zinc/27/22/99/252272299.db2.gz SMVHOTVDGQKELQ-AWEZNQCLSA-N 0 1 348.424 2.860 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425286209 285085807 /nfs/dbraw/zinc/08/58/07/285085807.db2.gz QIAWWVZINWMEMJ-MRVPVSSYSA-N 0 1 327.266 2.726 20 5 EFBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000339097922 285137456 /nfs/dbraw/zinc/13/74/56/285137456.db2.gz XNFDWLYCWNYCFI-SFHVURJKSA-N 0 1 326.352 2.932 20 5 EFBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000339097922 285137457 /nfs/dbraw/zinc/13/74/57/285137457.db2.gz XNFDWLYCWNYCFI-SFHVURJKSA-N 0 1 326.352 2.932 20 5 EFBDMN COCCOC[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154063451 533114286 /nfs/dbraw/zinc/11/42/86/533114286.db2.gz OPCGSLVJQHMRJQ-CYBMUJFWSA-N 0 1 328.796 2.733 20 5 EFBDMN O=[N+]([O-])c1cnc(Nc2cc3n(n2)CCCC3)c(C(F)(F)F)c1 ZINC000413301704 285180299 /nfs/dbraw/zinc/18/02/99/285180299.db2.gz XQNLKBFQHIJECN-UHFFFAOYSA-N 0 1 327.266 2.707 20 5 EFBDMN O=[N+]([O-])c1cnc(N[C@@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000268899249 285180619 /nfs/dbraw/zinc/18/06/19/285180619.db2.gz ZRWGLLWZYCYIJM-SNVBAGLBSA-N 0 1 338.165 2.965 20 5 EFBDMN CS[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000117375355 221060466 /nfs/dbraw/zinc/06/04/66/221060466.db2.gz BFMQANVDVSXSOU-NXEZZACHSA-N 0 1 348.421 2.686 20 5 EFBDMN CS[C@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000117316748 221052542 /nfs/dbraw/zinc/05/25/42/221052542.db2.gz IJEQUXNISQZLIG-KOLCDFICSA-N 0 1 334.401 2.875 20 5 EFBDMN Cc1nn(C)c(NC2CCN([C@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000119271312 221282164 /nfs/dbraw/zinc/28/21/64/221282164.db2.gz SEQOEVXKERBOPP-CYBMUJFWSA-N 0 1 344.419 2.669 20 5 EFBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000344434727 142016110 /nfs/dbraw/zinc/01/61/10/142016110.db2.gz DKVKHOGGMWIRLG-CYBMUJFWSA-N 0 1 341.327 2.903 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000344480904 142025168 /nfs/dbraw/zinc/02/51/68/142025168.db2.gz ZPBZGFSKTGCOIR-RYUDHWBXSA-N 0 1 337.445 2.871 20 5 EFBDMN CN1CCC[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000344604549 142047492 /nfs/dbraw/zinc/04/74/92/142047492.db2.gz AMFKSNMBVGJMSW-HNNXBMFYSA-N 0 1 329.356 2.565 20 5 EFBDMN COc1ccc(-c2ccc(CNC[C@@H](O)C(F)F)o2)c([N+](=O)[O-])c1 ZINC000344780948 142076881 /nfs/dbraw/zinc/07/68/81/142076881.db2.gz WDMWFWWKGUCGSM-CYBMUJFWSA-N 0 1 342.298 2.579 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000344961814 142103604 /nfs/dbraw/zinc/10/36/04/142103604.db2.gz HKGHNYMJMOMWJP-CABCVRRESA-N 0 1 349.431 2.613 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000345923048 142118836 /nfs/dbraw/zinc/11/88/36/142118836.db2.gz PZUFMXHICFLMBI-MNOVXSKESA-N 0 1 325.796 2.803 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345935216 142120164 /nfs/dbraw/zinc/12/01/64/142120164.db2.gz APRPFZXTTWVNNM-QWRGUYRKSA-N 0 1 325.796 2.803 20 5 EFBDMN O=C(NCCc1ccc(F)c(F)c1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000346022845 142134926 /nfs/dbraw/zinc/13/49/26/142134926.db2.gz YQLXWGZYADILFH-UHFFFAOYSA-N 0 1 340.257 2.690 20 5 EFBDMN COc1cc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000347555524 142235338 /nfs/dbraw/zinc/23/53/38/142235338.db2.gz KSGFOSMCVVVHCX-LBPRGKRZSA-N 0 1 344.371 2.596 20 5 EFBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc[nH]n1 ZINC000347569957 142237713 /nfs/dbraw/zinc/23/77/13/142237713.db2.gz BXVXBWAZWDMFEL-UHFFFAOYSA-N 0 1 349.416 2.578 20 5 EFBDMN O=C(Nc1ccc(OC(F)F)cn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000347689002 142257106 /nfs/dbraw/zinc/25/71/06/142257106.db2.gz TUOYKUWCXKKOQC-UHFFFAOYSA-N 0 1 325.227 2.549 20 5 EFBDMN Cc1cccc(N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000349656349 142344024 /nfs/dbraw/zinc/34/40/24/142344024.db2.gz XCUFFFRCIBPETD-UHFFFAOYSA-N 0 1 327.384 2.931 20 5 EFBDMN CCC1(C)CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000337696407 143786979 /nfs/dbraw/zinc/78/69/79/143786979.db2.gz SUIMQWPZPMILNR-UHFFFAOYSA-N 0 1 331.416 2.996 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)CC[S@@](=O)c1ccccc1 ZINC000338374674 144658632 /nfs/dbraw/zinc/65/86/32/144658632.db2.gz DSOOVKNILFJKFM-HSZRJFAPSA-N 0 1 332.425 2.877 20 5 EFBDMN COC(=O)[C@]12CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000342136707 145068625 /nfs/dbraw/zinc/06/86/25/145068625.db2.gz RFUIILDXEBCTJU-SJKOYZFVSA-N 0 1 336.363 2.899 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]1c1ccccc1 ZINC000343571731 145241411 /nfs/dbraw/zinc/24/14/11/145241411.db2.gz JMUHKGRZWMEOPC-HZPDHXFCSA-N 0 1 328.368 2.782 20 5 EFBDMN COc1cccc(N2CC(N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000343624167 145255099 /nfs/dbraw/zinc/25/50/99/145255099.db2.gz JHRUKMUTOYCDCV-UHFFFAOYSA-N 0 1 327.384 2.924 20 5 EFBDMN O=C1[C@@H](N2CCC[C@@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344100701 145368083 /nfs/dbraw/zinc/36/80/83/145368083.db2.gz NMRLAFZKFAWRQE-PBHICJAKSA-N 0 1 329.400 2.822 20 5 EFBDMN COc1ccc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000351484021 146127733 /nfs/dbraw/zinc/12/77/33/146127733.db2.gz BQRRNKCZOOMCRA-SNVBAGLBSA-N 0 1 340.339 2.971 20 5 EFBDMN C[C@H](N[C@H]1CCC[C@]1(C)CO)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000351525436 146138559 /nfs/dbraw/zinc/13/85/59/146138559.db2.gz SASYLAVDQRRWBO-PZSREKOKSA-N 0 1 346.387 2.847 20 5 EFBDMN Cc1nc2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc2[nH]1 ZINC000351842117 146216472 /nfs/dbraw/zinc/21/64/72/146216472.db2.gz JDLGNGYGTUKRCC-UHFFFAOYSA-N 0 1 340.295 2.761 20 5 EFBDMN COc1ccc(OCCN2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000353021938 146376853 /nfs/dbraw/zinc/37/68/53/146376853.db2.gz LCOOTELWIPIOND-NSHDSACASA-N 0 1 346.330 2.543 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000353039792 146382810 /nfs/dbraw/zinc/38/28/10/146382810.db2.gz LTMYRDKCSKGHEH-FUHWJXTLSA-N 0 1 342.395 2.652 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000353039791 146382830 /nfs/dbraw/zinc/38/28/30/146382830.db2.gz LTMYRDKCSKGHEH-AEFFLSMTSA-N 0 1 342.395 2.652 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]2c2ccccc2)c1 ZINC000353047843 146385142 /nfs/dbraw/zinc/38/51/42/146385142.db2.gz FPYSRCUHLBBKJG-SJLPKXTDSA-N 0 1 328.368 2.782 20 5 EFBDMN CNC(=O)c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1Cl ZINC000355955078 147107802 /nfs/dbraw/zinc/10/78/02/147107802.db2.gz UWNRJNVEZMDJHG-UHFFFAOYSA-N 0 1 349.730 2.566 20 5 EFBDMN CCN(Cc1c([N+](=O)[O-])ncn1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000355960798 147109626 /nfs/dbraw/zinc/10/96/26/147109626.db2.gz VHIVQJFPHTYHPZ-CYBMUJFWSA-N 0 1 332.404 2.790 20 5 EFBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356208703 147176318 /nfs/dbraw/zinc/17/63/18/147176318.db2.gz NUDGGWUBDBQHTN-UHFFFAOYSA-N 0 1 327.275 2.771 20 5 EFBDMN CCC(=O)Nc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356329364 147214101 /nfs/dbraw/zinc/21/41/01/147214101.db2.gz AGRKCDYXGLTIOR-UHFFFAOYSA-N 0 1 329.312 2.901 20 5 EFBDMN O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356355935 147222352 /nfs/dbraw/zinc/22/23/52/147222352.db2.gz HQDBYWORJVKUEC-UHFFFAOYSA-N 0 1 338.222 2.874 20 5 EFBDMN COc1ccc(OCCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356406322 147235634 /nfs/dbraw/zinc/23/56/34/147235634.db2.gz KZKMYDMUIRUEKB-UHFFFAOYSA-N 0 1 346.339 2.508 20 5 EFBDMN Cc1cc(C)cc(OCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356470168 147252914 /nfs/dbraw/zinc/25/29/14/147252914.db2.gz ZZIZKHXIHLLHJL-UHFFFAOYSA-N 0 1 330.340 2.726 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccccc2N(C)C)c1[N+](=O)[O-] ZINC000356531063 147269760 /nfs/dbraw/zinc/26/97/60/147269760.db2.gz HBPGOEROIAKLLV-UHFFFAOYSA-N 0 1 345.403 2.609 20 5 EFBDMN O=C(NC[C@H]1CCOc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356551784 147274764 /nfs/dbraw/zinc/27/47/64/147274764.db2.gz QNPPKJMIDQOGRQ-LLVKDONJSA-N 0 1 328.324 2.597 20 5 EFBDMN CC(C)(O)COc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356571342 147280480 /nfs/dbraw/zinc/28/04/80/147280480.db2.gz BBZSEQSHVDPUPY-UHFFFAOYSA-N 0 1 346.339 2.702 20 5 EFBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC000356594305 147285849 /nfs/dbraw/zinc/28/58/49/147285849.db2.gz LVJAEZAVHQIDQV-JTQLQIEISA-N 0 1 340.339 2.678 20 5 EFBDMN Cc1[nH]nc(C(=O)N(C)C2CCC(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000356613702 147290485 /nfs/dbraw/zinc/29/04/85/147290485.db2.gz YKHVGJSHQLUDBF-UHFFFAOYSA-N 0 1 334.298 2.819 20 5 EFBDMN COc1c(C(=O)Nc2cc(C(C)=O)ccc2O)cccc1[N+](=O)[O-] ZINC000356708984 147315053 /nfs/dbraw/zinc/31/50/53/147315053.db2.gz WGFZKAATMRSKNI-UHFFFAOYSA-N 0 1 330.296 2.764 20 5 EFBDMN CC(C)(C)Oc1cccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000356734595 147322664 /nfs/dbraw/zinc/32/26/64/147322664.db2.gz VUJBRGKLBMIZTC-UHFFFAOYSA-N 0 1 345.355 2.803 20 5 EFBDMN COc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC000356808246 147341714 /nfs/dbraw/zinc/34/17/14/147341714.db2.gz XXDVDSULUWTGGW-UHFFFAOYSA-N 0 1 336.731 2.892 20 5 EFBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000359133473 148004326 /nfs/dbraw/zinc/00/43/26/148004326.db2.gz XRAMMAFSSUFOKP-UHFFFAOYSA-N 0 1 342.277 2.651 20 5 EFBDMN Cc1c(CNC(=O)N[C@H]2CCCc3cn[nH]c32)cccc1[N+](=O)[O-] ZINC000359224000 148027991 /nfs/dbraw/zinc/02/79/91/148027991.db2.gz SFMNJLLKCVLIPW-ZDUSSCGKSA-N 0 1 329.360 2.503 20 5 EFBDMN CS[C@H](C)CCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000359445996 148085739 /nfs/dbraw/zinc/08/57/39/148085739.db2.gz MKHGNBIBXDLTHD-SECBINFHSA-N 0 1 335.389 2.850 20 5 EFBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359471379 148094463 /nfs/dbraw/zinc/09/44/63/148094463.db2.gz HMJOYPYIGZGVIL-UHFFFAOYSA-N 0 1 332.266 2.679 20 5 EFBDMN Cc1cc(NCCCN2C[C@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000359839957 148204276 /nfs/dbraw/zinc/20/42/76/148204276.db2.gz LZADOVIQGAFFNY-STQMWFEESA-N 0 1 325.384 2.954 20 5 EFBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000360030356 148254976 /nfs/dbraw/zinc/25/49/76/148254976.db2.gz GDAMBDQYNGUBIV-UHFFFAOYSA-N 0 1 332.259 2.813 20 5 EFBDMN O=C(CNc1ccc2cc([N+](=O)[O-])ccc2n1)N1Cc2ccccc2C1 ZINC000360091755 148268951 /nfs/dbraw/zinc/26/89/51/148268951.db2.gz AGDZEAAGSLPMEI-UHFFFAOYSA-N 0 1 348.362 2.519 20 5 EFBDMN COc1cccc(Cl)c1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360154182 148286136 /nfs/dbraw/zinc/28/61/36/148286136.db2.gz OKDQZQFQVQMHBA-UHFFFAOYSA-N 0 1 336.731 2.892 20 5 EFBDMN Cc1[nH]nc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1[N+](=O)[O-] ZINC000360157032 148286429 /nfs/dbraw/zinc/28/64/29/148286429.db2.gz LWYJJUQWVHRBRR-UHFFFAOYSA-N 0 1 332.335 2.818 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC([C@@H](C)NC(C)=O)CC1 ZINC000360316474 148329183 /nfs/dbraw/zinc/32/91/83/148329183.db2.gz LKKPHEDHUQBCTB-CYBMUJFWSA-N 0 1 349.431 2.730 20 5 EFBDMN O=[N+]([O-])c1ccn(CCSc2nc(C=Cc3ccccc3)n[nH]2)n1 ZINC000360403343 148353925 /nfs/dbraw/zinc/35/39/25/148353925.db2.gz SKMOTDVSUSWKEY-SREVYHEPSA-N 0 1 342.384 2.872 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](n4cncn4)C3)o2)c1 ZINC000364513512 149172085 /nfs/dbraw/zinc/17/20/85/149172085.db2.gz UWILELFNLCAZMG-OAHLLOKOSA-N 0 1 339.355 2.893 20 5 EFBDMN O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000366702041 149694365 /nfs/dbraw/zinc/69/43/65/149694365.db2.gz PMGSLKCWHFNLDQ-OJAKKHQRSA-N 0 1 328.290 2.733 20 5 EFBDMN Cn1ccnc1C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000368479172 150128455 /nfs/dbraw/zinc/12/84/55/150128455.db2.gz RHJPVOKLFFTZPC-CYBMUJFWSA-N 0 1 332.379 2.922 20 5 EFBDMN Nc1ccc(NCC2(N3CCOCC3)CCCCC2)c([N+](=O)[O-])c1 ZINC000368605924 150161842 /nfs/dbraw/zinc/16/18/42/150161842.db2.gz UXZCEXAJGXIGLA-UHFFFAOYSA-N 0 1 334.420 2.624 20 5 EFBDMN COc1cc(CN2CCSCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000191815413 286219686 /nfs/dbraw/zinc/21/96/86/286219686.db2.gz DNIHACMUPRNQJT-NSHDSACASA-N 0 1 326.418 2.939 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000374210792 151301553 /nfs/dbraw/zinc/30/15/53/151301553.db2.gz HPLGGKNSLLWBKH-CYBMUJFWSA-N 0 1 344.371 2.564 20 5 EFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000374435371 151347623 /nfs/dbraw/zinc/34/76/23/151347623.db2.gz FHHBNEKABOLLES-IWSPIJDZSA-N 0 1 349.334 2.533 20 5 EFBDMN CN(C)C(=O)[C@H]1CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000122694290 222138611 /nfs/dbraw/zinc/13/86/11/222138611.db2.gz CXFRHADCKQBBGE-MRXNPFEDSA-N 0 1 343.383 2.907 20 5 EFBDMN CN(Cc1ccc([S@](C)=O)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093710674 544557062 /nfs/dbraw/zinc/55/70/62/544557062.db2.gz NXAIUGXCSIEPFY-HSZRJFAPSA-N 0 1 334.397 2.670 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC1(O)CCCCCC1 ZINC000187329759 265094381 /nfs/dbraw/zinc/09/43/81/265094381.db2.gz SYXPIBAIIUHXST-UHFFFAOYSA-N 0 1 349.431 2.859 20 5 EFBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2-n2cccn2)c1 ZINC000194148560 265364044 /nfs/dbraw/zinc/36/40/44/265364044.db2.gz NZMGCRLXDYOMDW-UHFFFAOYSA-N 0 1 344.352 2.581 20 5 EFBDMN CCCOc1ccc2c(c1)CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C2 ZINC000269550135 265524713 /nfs/dbraw/zinc/52/47/13/265524713.db2.gz ZFNZQHKJNFTLCV-UHFFFAOYSA-N 0 1 344.371 2.614 20 5 EFBDMN CC[C@@H]1CC[C@H](C)N1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271580074 266011139 /nfs/dbraw/zinc/01/11/39/266011139.db2.gz RSZIEMJHLVWUSS-WDEREUQCSA-N 0 1 335.360 2.525 20 5 EFBDMN CN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000271993101 266117791 /nfs/dbraw/zinc/11/77/91/266117791.db2.gz GRQBZMGOEPCXNZ-OALUTQOASA-N 0 1 341.411 2.617 20 5 EFBDMN Cc1cc(C2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000272075447 266144531 /nfs/dbraw/zinc/14/45/31/266144531.db2.gz INGVASSHYOMTLI-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN Cc1cc(C2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)n[nH]1 ZINC000272100614 266153930 /nfs/dbraw/zinc/15/39/30/266153930.db2.gz MOCKQWLEBKAWBO-UHFFFAOYSA-N 0 1 343.387 2.537 20 5 EFBDMN CCc1cc(N[C@@H](C)c2nnc[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272258640 266206992 /nfs/dbraw/zinc/20/69/92/266206992.db2.gz UTULEQVVYFJUGY-JTQLQIEISA-N 0 1 339.359 2.905 20 5 EFBDMN COc1ccccc1C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272508357 266288621 /nfs/dbraw/zinc/28/86/21/266288621.db2.gz JRMQPOTVWQPBKD-UHFFFAOYSA-N 0 1 342.351 2.771 20 5 EFBDMN COCC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272562349 266307560 /nfs/dbraw/zinc/30/75/60/266307560.db2.gz NUHRJNGFBMFRGJ-CQSZACIVSA-N 0 1 334.328 2.709 20 5 EFBDMN Cn1ccnc1[C@H](NCC1(C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272574925 266313304 /nfs/dbraw/zinc/31/33/04/266313304.db2.gz WWPNUEGCZWJXJN-MRXNPFEDSA-N 0 1 344.415 2.824 20 5 EFBDMN C[C@H]1CCCN(CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272591086 266317410 /nfs/dbraw/zinc/31/74/10/266317410.db2.gz SYHGZKYDRPRLSA-LBPRGKRZSA-N 0 1 341.358 2.535 20 5 EFBDMN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000272590714 266318122 /nfs/dbraw/zinc/31/81/22/266318122.db2.gz XGJOGZPUPNXVCA-LBPRGKRZSA-N 0 1 346.391 2.724 20 5 EFBDMN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCC2 ZINC000272637614 266336344 /nfs/dbraw/zinc/33/63/44/266336344.db2.gz CQYLOTYMXZDNHB-HUUCEWRRSA-N 0 1 334.372 2.720 20 5 EFBDMN C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272691435 266353141 /nfs/dbraw/zinc/35/31/41/266353141.db2.gz QLYQDQNQCYDMRY-RNCFNFMXSA-N 0 1 336.369 2.604 20 5 EFBDMN Cc1cc(NCCC[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272832041 266393168 /nfs/dbraw/zinc/39/31/68/266393168.db2.gz LFLOJMHCJHCGEM-UHFFFAOYSA-N 0 1 330.388 2.586 20 5 EFBDMN COc1ccc(NC(=O)CN2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000102926445 273000470 /nfs/dbraw/zinc/00/04/70/273000470.db2.gz UMZVEEFAKMEOLK-HNNXBMFYSA-N 0 1 333.388 2.806 20 5 EFBDMN CCOC(=O)[C@H](C)[C@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000274020479 266600242 /nfs/dbraw/zinc/60/02/42/266600242.db2.gz MUGUAZSZBXJQTD-NEPJUHHUSA-N 0 1 347.371 2.927 20 5 EFBDMN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000275594231 266837315 /nfs/dbraw/zinc/83/73/15/266837315.db2.gz KKEVOOGWIDDHMN-GUYCJALGSA-N 0 1 342.351 2.808 20 5 EFBDMN C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275747773 266868739 /nfs/dbraw/zinc/86/87/39/266868739.db2.gz RJWPCTWPHRVSOO-KCQAQPDRSA-N 0 1 329.404 2.785 20 5 EFBDMN Cc1cc(N2CC[C@H](N3CCCC3=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000276715722 267039881 /nfs/dbraw/zinc/03/98/81/267039881.db2.gz JVUJXRULFLUKCE-AWEZNQCLSA-N 0 1 340.383 2.653 20 5 EFBDMN CCCn1ccnc1CCCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000277606593 267210629 /nfs/dbraw/zinc/21/06/29/267210629.db2.gz QMZFEDMMMFHVDG-UHFFFAOYSA-N 0 1 346.387 2.612 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C[C@H]2CCOC2)CC1 ZINC000277671764 267229204 /nfs/dbraw/zinc/22/92/04/267229204.db2.gz AFNLUOQVRCHSTQ-CYBMUJFWSA-N 0 1 339.823 2.715 20 5 EFBDMN CCC[C@@]1(CO)CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000277808190 267269328 /nfs/dbraw/zinc/26/93/28/267269328.db2.gz PWVDRUHEWDCIHF-KRWDZBQOSA-N 0 1 336.388 2.588 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000278294563 267392672 /nfs/dbraw/zinc/39/26/72/267392672.db2.gz VHLPHNVUBAIYPD-UHFFFAOYSA-N 0 1 335.360 2.896 20 5 EFBDMN COc1ccc(S(=O)(=O)Nc2cscc2C)c([N+](=O)[O-])c1 ZINC000161616502 273022252 /nfs/dbraw/zinc/02/22/52/273022252.db2.gz HBRURIDTZYEGTF-UHFFFAOYSA-N 0 1 328.371 2.774 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000194803086 273070491 /nfs/dbraw/zinc/07/04/91/273070491.db2.gz HQDYVAVUHJSTHA-UHFFFAOYSA-N 0 1 345.374 2.904 20 5 EFBDMN CCO[C@@H]1C[C@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1(C)C ZINC000269481726 273081206 /nfs/dbraw/zinc/08/12/06/273081206.db2.gz KMTGXNFMWYSCNJ-WDEREUQCSA-N 0 1 338.408 2.717 20 5 EFBDMN Cc1ccc([C@H]2COCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])o1 ZINC000269482793 273081223 /nfs/dbraw/zinc/08/12/23/273081223.db2.gz WKTZKZDISVIYPW-LLVKDONJSA-N 0 1 348.359 2.556 20 5 EFBDMN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1OCCc2ccccc21 ZINC000269666450 273087757 /nfs/dbraw/zinc/08/77/57/273087757.db2.gz SIMSJDPOELJBIC-RTBURBONSA-N 0 1 342.395 2.874 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCc3cc(F)ccc3C2)c1[N+](=O)[O-] ZINC000271129196 273100151 /nfs/dbraw/zinc/10/01/51/273100151.db2.gz OMIJVPPATDGJKL-UHFFFAOYSA-N 0 1 332.335 2.779 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000274959081 273135559 /nfs/dbraw/zinc/13/55/59/273135559.db2.gz HMXFDYGNVUYILS-CQSZACIVSA-N 0 1 345.403 2.976 20 5 EFBDMN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279003418 273165347 /nfs/dbraw/zinc/16/53/47/273165347.db2.gz GCEAYIZWNOAAGW-IAQYHMDHSA-N 0 1 340.445 2.730 20 5 EFBDMN C[C@H](O)C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000279816866 273256708 /nfs/dbraw/zinc/25/67/08/273256708.db2.gz QHFCOXYRCGWXHD-WFASDCNBSA-N 0 1 336.388 2.587 20 5 EFBDMN CO[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000280340491 273317487 /nfs/dbraw/zinc/31/74/87/273317487.db2.gz IGMMAEULZIJLST-GUYCJALGSA-N 0 1 335.404 2.813 20 5 EFBDMN C[C@H](CO)N(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCC1 ZINC000280510836 273335597 /nfs/dbraw/zinc/33/55/97/273335597.db2.gz NNXVMVFWRMZMDG-GFCCVEGCSA-N 0 1 346.387 2.628 20 5 EFBDMN C[S@@](=O)C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000280706503 273357868 /nfs/dbraw/zinc/35/78/68/273357868.db2.gz SZWTYRBNBVTOJL-HSZRJFAPSA-N 0 1 348.371 2.587 20 5 EFBDMN CCC(=O)c1ccc(N[C@@H](C)CCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000281335506 273424826 /nfs/dbraw/zinc/42/48/26/273424826.db2.gz AZQLMOJUWWZAIK-AWEZNQCLSA-N 0 1 348.447 2.625 20 5 EFBDMN C[C@](O)(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000281982146 273497337 /nfs/dbraw/zinc/49/73/37/273497337.db2.gz VDLOQRSQMRBVJE-AWEZNQCLSA-N 0 1 348.321 2.751 20 5 EFBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CCOCC2)CC1 ZINC000284840185 273895672 /nfs/dbraw/zinc/89/56/72/273895672.db2.gz SMPHUFIPVQAXTI-AWEZNQCLSA-N 0 1 347.415 2.814 20 5 EFBDMN COc1cc(CNC[C@H](c2ccco2)N(C)C)c([N+](=O)[O-])cc1OC ZINC000237225641 274094470 /nfs/dbraw/zinc/09/44/70/274094470.db2.gz DXZWUYLWNYPRRC-CQSZACIVSA-N 0 1 349.387 2.598 20 5 EFBDMN Cc1nc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000286290617 274170757 /nfs/dbraw/zinc/17/07/57/274170757.db2.gz HNIUAUGVHIOVGM-ZCFIWIBFSA-N 0 1 343.265 2.531 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)c1n[nH]c(C)n1 ZINC000286329612 274179380 /nfs/dbraw/zinc/17/93/80/274179380.db2.gz JBODVRSNUXXFHI-ZCFIWIBFSA-N 0 1 339.739 2.634 20 5 EFBDMN O=C(Nc1nc(C2CCOCC2)cs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000286386850 274190278 /nfs/dbraw/zinc/19/02/78/274190278.db2.gz NMBQZLMIUWALQY-UHFFFAOYSA-N 0 1 349.368 2.903 20 5 EFBDMN C[C@@H]1COCC[C@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000287421540 274416994 /nfs/dbraw/zinc/41/69/94/274416994.db2.gz KBYITMICJMBIEB-UKPHBRMFSA-N 0 1 344.415 2.680 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(NC2CCN(Cc3cccnc3)CC2)n1 ZINC000287661652 274466940 /nfs/dbraw/zinc/46/69/40/274466940.db2.gz IMQPZMCKYXRACW-UHFFFAOYSA-N 0 1 327.388 2.770 20 5 EFBDMN Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000288657686 274638150 /nfs/dbraw/zinc/63/81/50/274638150.db2.gz RELMISVWFYZBFD-ZCFIWIBFSA-N 0 1 346.714 2.786 20 5 EFBDMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000096004872 274981280 /nfs/dbraw/zinc/98/12/80/274981280.db2.gz BCJFZSZLBWTEFO-AWEZNQCLSA-N 0 1 345.359 2.541 20 5 EFBDMN O=C1[C@H](N2CCCC3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000348181791 275029053 /nfs/dbraw/zinc/02/90/53/275029053.db2.gz PHADFWYBESUHQR-MRXNPFEDSA-N 0 1 329.400 2.966 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCCCO)CC1 ZINC000072242415 275033069 /nfs/dbraw/zinc/03/30/69/275033069.db2.gz ZBYJYGZFUBCBCX-UHFFFAOYSA-N 0 1 347.337 2.508 20 5 EFBDMN O=[N+]([O-])c1ccccc1C[C@H](NCc1nnc2n1CCCC2)C1CC1 ZINC000183865294 275040005 /nfs/dbraw/zinc/04/00/05/275040005.db2.gz NNQIWYQCRSAPGN-HNNXBMFYSA-N 0 1 341.415 2.634 20 5 EFBDMN CN(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccco1 ZINC000170639250 276827825 /nfs/dbraw/zinc/82/78/25/276827825.db2.gz RDNJNFWLOVUZCW-HNNXBMFYSA-N 0 1 344.371 2.787 20 5 EFBDMN COC(=O)C1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000272827100 277313563 /nfs/dbraw/zinc/31/35/63/277313563.db2.gz KEAIWSAJMQRWPG-UHFFFAOYSA-N 0 1 329.356 2.841 20 5 EFBDMN CC(C)c1ccc(CN2CCC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000353750437 278035735 /nfs/dbraw/zinc/03/57/35/278035735.db2.gz OFLXRTQLLIGMMM-GOSISDBHSA-N 0 1 331.416 2.820 20 5 EFBDMN CC1(C)CCC[N@@H+](CCN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000443963731 278214266 /nfs/dbraw/zinc/21/42/66/278214266.db2.gz OLVLHWBUYFDUES-UHFFFAOYSA-N 0 1 345.403 2.601 20 5 EFBDMN C[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000158529765 278381511 /nfs/dbraw/zinc/38/15/11/278381511.db2.gz QMZUMDMIPLJPPB-MFKMUULPSA-N 0 1 345.321 2.799 20 5 EFBDMN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360315960 280076044 /nfs/dbraw/zinc/07/60/44/280076044.db2.gz FOMPTVLLWGPBSB-ANRSDYALSA-N 0 1 332.287 2.692 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@H](CO)c1cccc(Cl)c1F ZINC000339152869 280369239 /nfs/dbraw/zinc/36/92/39/280369239.db2.gz GDLAKVGGBSEVOI-CYBMUJFWSA-N 0 1 340.738 2.916 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NCc1cccnc1N1CCN(C)CC1 ZINC000171232824 281261239 /nfs/dbraw/zinc/26/12/39/281261239.db2.gz FAHNVWMMNGWZTQ-UHFFFAOYSA-N 0 1 341.415 2.662 20 5 EFBDMN CN(C)C(=O)C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339066690 288971560 /nfs/dbraw/zinc/97/15/60/288971560.db2.gz DCOJGDLFYQFZQJ-INIZCTEOSA-N 0 1 343.383 2.610 20 5 EFBDMN O=C(NCc1cc(Cl)ccc1OC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000126428315 293038395 /nfs/dbraw/zinc/03/83/95/293038395.db2.gz SCGFSXZNKARNHF-UHFFFAOYSA-N 0 1 346.677 2.503 20 5 EFBDMN CSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000126657140 293046627 /nfs/dbraw/zinc/04/66/27/293046627.db2.gz UHBCYQBUFAABOM-GFCCVEGCSA-N 0 1 325.434 2.915 20 5 EFBDMN CSCC[C@@H](C)N(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000126657140 293046629 /nfs/dbraw/zinc/04/66/29/293046629.db2.gz UHBCYQBUFAABOM-GFCCVEGCSA-N 0 1 325.434 2.915 20 5 EFBDMN O=[N+]([O-])c1ccc(CN(C[C@@H](O)COc2ccccc2)C2CC2)cc1 ZINC000130670375 293174196 /nfs/dbraw/zinc/17/41/96/293174196.db2.gz ZXIALVXJSOVTHY-GOSISDBHSA-N 0 1 342.395 2.999 20 5 EFBDMN O=[N+]([O-])c1ccc(CN(C[C@H](O)COc2ccccc2)C2CC2)cc1 ZINC000130670574 293174556 /nfs/dbraw/zinc/17/45/56/293174556.db2.gz ZXIALVXJSOVTHY-SFHVURJKSA-N 0 1 342.395 2.999 20 5 EFBDMN CCOC(=O)N(C)C1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000130840753 293179874 /nfs/dbraw/zinc/17/98/74/293179874.db2.gz ZNZKCIOSQZKEQD-UHFFFAOYSA-N 0 1 335.404 2.956 20 5 EFBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000153448738 293375700 /nfs/dbraw/zinc/37/57/00/293375700.db2.gz ABDKRACWALEJKI-VIFPVBQESA-N 0 1 343.368 2.932 20 5 EFBDMN CC1(C)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1[C@H]1CCCO1 ZINC000290529191 294111658 /nfs/dbraw/zinc/11/16/58/294111658.db2.gz HSAKUDLYZKINBF-HIFRSBDPSA-N 0 1 344.371 2.501 20 5 EFBDMN CC(C)NC(=O)c1ccc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000290865966 294206978 /nfs/dbraw/zinc/20/69/78/294206978.db2.gz ZDURZDMPSMLDMU-GXTWGEPZSA-N 0 1 346.431 2.770 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC2(CCC2)[C@H]1C1CC1 ZINC000291057974 294261505 /nfs/dbraw/zinc/26/15/05/294261505.db2.gz HPMDULZKERUEST-OAHLLOKOSA-N 0 1 326.356 2.876 20 5 EFBDMN COc1cccc(C2(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c1 ZINC000291281580 294334384 /nfs/dbraw/zinc/33/43/84/294334384.db2.gz QXPRXRARUQXRJA-UHFFFAOYSA-N 0 1 342.351 2.771 20 5 EFBDMN CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccncc1 ZINC000293790218 295049751 /nfs/dbraw/zinc/04/97/51/295049751.db2.gz FMQQBODMIPFKHD-OAHLLOKOSA-N 0 1 327.340 2.919 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2Cc3ccccc3O[C@H](C)C2)c1[N+](=O)[O-] ZINC000294330357 295148326 /nfs/dbraw/zinc/14/83/26/295148326.db2.gz SXEXHCBQPAQHAL-LLVKDONJSA-N 0 1 344.371 2.694 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2Cc3ccccc3O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000294330374 295148509 /nfs/dbraw/zinc/14/85/09/295148509.db2.gz SXEXHCBQPAQHAL-NSHDSACASA-N 0 1 344.371 2.694 20 5 EFBDMN CC[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H](C)O1 ZINC000294496482 295176011 /nfs/dbraw/zinc/17/60/11/295176011.db2.gz FIPJLOBBRCHFGP-RISCZKNCSA-N 0 1 344.371 2.624 20 5 EFBDMN CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294594358 295191381 /nfs/dbraw/zinc/19/13/81/295191381.db2.gz CZUDLASTRRNPBD-NSHDSACASA-N 0 1 331.420 2.886 20 5 EFBDMN Cc1ccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N2CCCC2)o1 ZINC000294686361 295207890 /nfs/dbraw/zinc/20/78/90/295207890.db2.gz XCHKONUQCOPCOA-AWEZNQCLSA-N 0 1 337.420 2.677 20 5 EFBDMN Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)N2CCCC2)o1 ZINC000294783927 295226797 /nfs/dbraw/zinc/22/67/97/295226797.db2.gz ASQIVGVILOCXBW-CQSZACIVSA-N 0 1 331.376 2.844 20 5 EFBDMN COc1ccc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000294907612 295243994 /nfs/dbraw/zinc/24/39/94/295243994.db2.gz XWDQQPBLYAEMTK-CQSZACIVSA-N 0 1 349.431 2.717 20 5 EFBDMN COc1ccc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000294907606 295244109 /nfs/dbraw/zinc/24/41/09/295244109.db2.gz XWDQQPBLYAEMTK-AWEZNQCLSA-N 0 1 349.431 2.717 20 5 EFBDMN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1n[nH]c(C2CC2)n1 ZINC000294965634 295252101 /nfs/dbraw/zinc/25/21/01/295252101.db2.gz NMEWEOXXEXYBRF-UHFFFAOYSA-N 0 1 349.322 2.518 20 5 EFBDMN CC(C)(CCC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)[N+](=O)[O-] ZINC000294986087 295254410 /nfs/dbraw/zinc/25/44/10/295254410.db2.gz YPEJWYWKXKOROA-UHFFFAOYSA-N 0 1 337.767 2.899 20 5 EFBDMN CC(C)c1nc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])n[nH]1 ZINC000295026138 295259238 /nfs/dbraw/zinc/25/92/38/295259238.db2.gz VCTHEPMTVGRAKI-UHFFFAOYSA-N 0 1 330.270 2.862 20 5 EFBDMN C[C@H]([N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)O ZINC000295040399 295260415 /nfs/dbraw/zinc/26/04/15/295260415.db2.gz AGMZPCOKFJHVNO-VIFPVBQESA-N 0 1 331.210 2.949 20 5 EFBDMN C[C@H]1CSCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295041300 295260649 /nfs/dbraw/zinc/26/06/49/295260649.db2.gz SEDAISYNMGXXKB-JTQLQIEISA-N 0 1 332.385 2.562 20 5 EFBDMN Nc1ncccc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295050258 295261831 /nfs/dbraw/zinc/26/18/31/295261831.db2.gz ONKCGKXKULTOMA-UHFFFAOYSA-N 0 1 328.372 2.615 20 5 EFBDMN CC(C)c1nc(CNc2ncc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000295053370 295262290 /nfs/dbraw/zinc/26/22/90/295262290.db2.gz XZFOVNDOGJBNSH-UHFFFAOYSA-N 0 1 341.169 2.606 20 5 EFBDMN C[C@H]1CCSCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295121287 295270457 /nfs/dbraw/zinc/27/04/57/295270457.db2.gz IVKLTOVGWNMYBR-NSHDSACASA-N 0 1 346.412 2.953 20 5 EFBDMN CCN(C)C(=O)[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000295120442 295270529 /nfs/dbraw/zinc/27/05/29/295270529.db2.gz WNFVYPXIVBNIFD-AWEZNQCLSA-N 0 1 327.812 2.841 20 5 EFBDMN C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295323139 295300599 /nfs/dbraw/zinc/30/05/99/295300599.db2.gz LDXBWTAPGYEBHO-NSHDSACASA-N 0 1 337.807 2.805 20 5 EFBDMN Cc1[nH]nc(C(=O)N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)c1[N+](=O)[O-] ZINC000295405083 295314444 /nfs/dbraw/zinc/31/44/44/295314444.db2.gz OJSZTKILOPEPAI-NBEYISGCSA-N 0 1 334.298 2.818 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000295474948 295326799 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MPPGHZDRRXVNKL-UHFFFAOYSA-N 0 1 349.387 2.773 20 5 EFBDMN COC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000184535301 323367583 /nfs/dbraw/zinc/36/75/83/323367583.db2.gz NNGMRPDPFVDHES-CQSZACIVSA-N 0 1 347.371 2.802 20 5 EFBDMN Cc1[nH]ncc1CCCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184946441 323378221 /nfs/dbraw/zinc/37/82/21/323378221.db2.gz XIOLJHHQWZVFDK-SNVBAGLBSA-N 0 1 334.351 2.618 20 5 EFBDMN Cc1ccccc1CCNC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296529942 323544570 /nfs/dbraw/zinc/54/45/70/323544570.db2.gz CXQFYWRWVHJKBF-HNNXBMFYSA-N 0 1 341.411 2.913 20 5 EFBDMN O=C([O-])c1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000580332563 324143970 /nfs/dbraw/zinc/14/39/70/324143970.db2.gz ZXEKORFSQKLHJG-MLGOLLRUSA-N 0 1 345.399 2.746 20 5 EFBDMN O=C(CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)NC1CCCCC1 ZINC000486962005 447826783 /nfs/dbraw/zinc/82/67/83/447826783.db2.gz ZHARCEZZMDSBJT-UHFFFAOYSA-N 0 1 345.359 2.506 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC[N@H+](C)Cc2ccccc2)n1 ZINC000515485898 448319832 /nfs/dbraw/zinc/31/98/32/448319832.db2.gz CHPQOKAROIHKAR-UHFFFAOYSA-N 0 1 344.371 2.540 20 5 EFBDMN O=C(N[C@H]1CCc2c1cccc2O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111605540 473219635 /nfs/dbraw/zinc/21/96/35/473219635.db2.gz LMOBXHLTLACGTM-ZDUSSCGKSA-N 0 1 338.323 2.594 20 5 EFBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161396405 473232997 /nfs/dbraw/zinc/23/29/97/473232997.db2.gz FCVWAJVPVPZMSI-CQSZACIVSA-N 0 1 327.388 2.512 20 5 EFBDMN CC(C)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000095978097 473238760 /nfs/dbraw/zinc/23/87/60/473238760.db2.gz YBXMZCLHRREIIY-GFCCVEGCSA-N 0 1 342.359 2.711 20 5 EFBDMN CCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000124416839 473242809 /nfs/dbraw/zinc/24/28/09/473242809.db2.gz NVYMSAHIWJQCMV-UHFFFAOYSA-N 0 1 336.369 2.967 20 5 EFBDMN CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(C)noc1C ZINC000161657331 473251208 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EFBDMN Cc1c(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000125304757 473390891 /nfs/dbraw/zinc/39/08/91/473390891.db2.gz NVFFJICULGKUOK-CRAIPNDOSA-N 0 1 343.427 2.879 20 5 EFBDMN CC(C)c1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000355415379 475916588 /nfs/dbraw/zinc/91/65/88/475916588.db2.gz BWGXLPBEZPLDHF-UHFFFAOYSA-N 0 1 340.445 2.775 20 5 EFBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000446646925 476901401 /nfs/dbraw/zinc/90/14/01/476901401.db2.gz FOVSTESCGPQGFA-UHFFFAOYSA-N 0 1 346.387 2.653 20 5 EFBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000565111003 478919151 /nfs/dbraw/zinc/91/91/51/478919151.db2.gz UXOAHLSSFADWIO-IBGZPJMESA-N 0 1 340.379 2.866 20 5 EFBDMN COc1cccc(OC)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602638712 479440865 /nfs/dbraw/zinc/44/08/65/479440865.db2.gz GGICYPFCRNZKQF-UHFFFAOYSA-N 0 1 346.387 2.646 20 5 EFBDMN CCn1ccc(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000616482530 479922928 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EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(C2CC2)n1 ZINC000011470533 471751811 /nfs/dbraw/zinc/75/18/11/471751811.db2.gz ZFTAFMFEVVBDTL-UHFFFAOYSA-N 0 1 333.373 2.630 20 5 EFBDMN C[C@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000014389462 471871163 /nfs/dbraw/zinc/87/11/63/471871163.db2.gz HSKPTAWRLXGTEN-QMMMGPOBSA-N 0 1 333.373 2.710 20 5 EFBDMN C[C@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000014389462 471871170 /nfs/dbraw/zinc/87/11/70/471871170.db2.gz HSKPTAWRLXGTEN-QMMMGPOBSA-N 0 1 333.373 2.710 20 5 EFBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000016444655 471936670 /nfs/dbraw/zinc/93/66/70/471936670.db2.gz DTEWIWLFKRGZRZ-INIZCTEOSA-N 0 1 325.368 2.599 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000054125211 472060607 /nfs/dbraw/zinc/06/06/07/472060607.db2.gz GKTURGIJIFYYQR-CYBMUJFWSA-N 0 1 337.376 2.828 20 5 EFBDMN Cc1ccc(S(=O)(=O)Nc2cccc3n[nH]cc32)cc1[N+](=O)[O-] ZINC000054293923 472074056 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C[C@H](c1cccnc1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068294668 472164603 /nfs/dbraw/zinc/16/46/03/472164603.db2.gz WGEAEFSQXWBAEO-SNVBAGLBSA-N 0 1 325.328 2.699 20 5 EFBDMN Cc1cc(C(=O)NC[C@@H](c2cccs2)N(C)C)ccc1[N+](=O)[O-] ZINC000027317970 472170607 /nfs/dbraw/zinc/17/06/07/472170607.db2.gz QKMSCOPLDILQHZ-AWEZNQCLSA-N 0 1 333.413 2.997 20 5 EFBDMN CCc1nc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000028656557 472231877 /nfs/dbraw/zinc/23/18/77/472231877.db2.gz GMNPEMXVBLCPKY-SECBINFHSA-N 0 1 335.389 2.703 20 5 EFBDMN CCc1n[nH]c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000028656557 472231884 /nfs/dbraw/zinc/23/18/84/472231884.db2.gz GMNPEMXVBLCPKY-SECBINFHSA-N 0 1 335.389 2.703 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(C(F)(F)F)CC2)c1 ZINC000075996461 472235263 /nfs/dbraw/zinc/23/52/63/472235263.db2.gz GSCUGPWUHFRPKO-CYBMUJFWSA-N 0 1 348.321 2.609 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000028781145 472236521 /nfs/dbraw/zinc/23/65/21/472236521.db2.gz VJVYKCSZCXPQKH-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000085490047 472254413 /nfs/dbraw/zinc/25/44/13/472254413.db2.gz YNDTWJXIGLCSDO-ZDUSSCGKSA-N 0 1 342.355 2.504 20 5 EFBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000076092462 472268338 /nfs/dbraw/zinc/26/83/38/472268338.db2.gz ARGAZOBGSQEVHT-UHFFFAOYSA-N 0 1 342.330 2.512 20 5 EFBDMN O=[N+]([O-])c1ccc(NCCN2CCN(c3ccccc3)CC2)cc1 ZINC000029585352 472282474 /nfs/dbraw/zinc/28/24/74/472282474.db2.gz MTTFTSRWMWVLNU-UHFFFAOYSA-N 0 1 326.400 2.829 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000044311492 472297238 /nfs/dbraw/zinc/29/72/38/472297238.db2.gz JOUFRPAIZDHVSJ-SNVBAGLBSA-N 0 1 325.415 2.751 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1ccccn1 ZINC000056276335 472300437 /nfs/dbraw/zinc/30/04/37/472300437.db2.gz SUTJLYRQJQIWMP-HNNXBMFYSA-N 0 1 337.339 2.843 20 5 EFBDMN COc1ccc(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000044653008 472328813 /nfs/dbraw/zinc/32/88/13/472328813.db2.gz SUAFHKCSONIPFF-UHFFFAOYSA-N 0 1 340.339 2.752 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN(C[C@@H]3CCOC3)C3CC3)n2)c1 ZINC000044937998 472354745 /nfs/dbraw/zinc/35/47/45/472354745.db2.gz UGJAWNNDHPHDHA-LBPRGKRZSA-N 0 1 344.371 2.646 20 5 EFBDMN O=C(CCN1CCc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1 ZINC000088605337 472377827 /nfs/dbraw/zinc/37/78/27/472377827.db2.gz REQNTKZPGFECJH-UHFFFAOYSA-N 0 1 325.368 2.982 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1ccncc1 ZINC000032320706 472423148 /nfs/dbraw/zinc/42/31/48/472423148.db2.gz ZKHKVRBJTNGENM-HNNXBMFYSA-N 0 1 337.339 2.843 20 5 EFBDMN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000097057897 472430861 /nfs/dbraw/zinc/43/08/61/472430861.db2.gz IGYHKNASWFIQTE-MRVPVSSYSA-N 0 1 342.277 2.698 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000032589275 472444937 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O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccn(-c2ccncc2)n1 ZINC000071027848 472534960 /nfs/dbraw/zinc/53/49/60/472534960.db2.gz GAWAMMGZTNLNOC-SNAWJCMRSA-N 0 1 335.323 2.827 20 5 EFBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000077510048 472542606 /nfs/dbraw/zinc/54/26/06/472542606.db2.gz NKOSDZXBFDONKP-HNNXBMFYSA-N 0 1 343.358 2.738 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCCN2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000089969495 472564935 /nfs/dbraw/zinc/56/49/35/472564935.db2.gz ORCHEZRAFREKCU-UHFFFAOYSA-N 0 1 348.321 2.753 20 5 EFBDMN CC[N@@H+](C)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102425136 472577302 /nfs/dbraw/zinc/57/73/02/472577302.db2.gz JLEFAIUEZQWMCP-UHFFFAOYSA-N 0 1 333.388 2.905 20 5 EFBDMN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000058575214 472583820 /nfs/dbraw/zinc/58/38/20/472583820.db2.gz MMHLLRQEBQAALT-MRXNPFEDSA-N 0 1 344.367 2.745 20 5 EFBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1c1ccc(F)cc1 ZINC000090511612 472627936 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Cc1c(CN2CCC(N3CCCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000120481720 472697607 /nfs/dbraw/zinc/69/76/07/472697607.db2.gz ILCVCGZMGCSDDQ-UHFFFAOYSA-N 0 1 331.416 2.880 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000078454093 472716811 /nfs/dbraw/zinc/71/68/11/472716811.db2.gz JSBZATBVBCWNNL-UHFFFAOYSA-N 0 1 342.384 2.753 20 5 EFBDMN CC(C)c1ccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000120626124 472721648 /nfs/dbraw/zinc/72/16/48/472721648.db2.gz YIMIELVLGCPNFH-LSDHHAIUSA-N 0 1 335.448 2.605 20 5 EFBDMN CC[C@@H](CO)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000078522417 472727799 /nfs/dbraw/zinc/72/77/99/472727799.db2.gz GZSQKJZSICEHPC-LBPRGKRZSA-N 0 1 347.337 2.507 20 5 EFBDMN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000105388403 472750330 /nfs/dbraw/zinc/75/03/30/472750330.db2.gz ZTMNAZSBHLVZIJ-UHFFFAOYSA-N 0 1 346.368 2.889 20 5 EFBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(F)c(F)cc1F ZINC000105389857 472751008 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O=[N+]([O-])c1cnn(CCN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000157852433 472865156 /nfs/dbraw/zinc/86/51/56/472865156.db2.gz SNJNLUNOBZQYDD-KRWDZBQOSA-N 0 1 348.378 2.612 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000092425811 472911110 /nfs/dbraw/zinc/91/11/10/472911110.db2.gz FMZUJVFMVYURRZ-UHFFFAOYSA-N 0 1 343.387 2.658 20 5 EFBDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000073973460 472914320 /nfs/dbraw/zinc/91/43/20/472914320.db2.gz FYBPVHABKKTLBT-UHFFFAOYSA-N 0 1 333.691 2.879 20 5 EFBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079750762 472918149 /nfs/dbraw/zinc/91/81/49/472918149.db2.gz QERZGMHUXIZZLR-JTQLQIEISA-N 0 1 343.305 2.580 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)OC(C)(C)C1 ZINC000065424213 472940578 /nfs/dbraw/zinc/94/05/78/472940578.db2.gz AMNFHTCOFRQUEB-ZDUSSCGKSA-N 0 1 335.404 2.731 20 5 EFBDMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092730253 472974042 /nfs/dbraw/zinc/97/40/42/472974042.db2.gz MBDPUCXDLQSCEG-UONOGXRCSA-N 0 1 349.431 2.817 20 5 EFBDMN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CN1Cc1ccccc1 ZINC000134864396 472978799 /nfs/dbraw/zinc/97/87/99/472978799.db2.gz ACALHTFHQDEVBL-TZMCWYRMSA-N 0 1 329.356 2.581 20 5 EFBDMN CC[C@H](O)[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000074287073 472979320 /nfs/dbraw/zinc/97/93/20/472979320.db2.gz YPOQNBQKULTRMQ-CABCVRRESA-N 0 1 346.387 2.770 20 5 EFBDMN CCCCCOC1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000080378402 473023051 /nfs/dbraw/zinc/02/30/51/473023051.db2.gz BNSIZJJEMXAQGW-UHFFFAOYSA-N 0 1 332.360 2.502 20 5 EFBDMN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)COCc1ccco1)C1CC1 ZINC000135234044 473040834 /nfs/dbraw/zinc/04/08/34/473040834.db2.gz PZNMDSXYRYVNOW-MRXNPFEDSA-N 0 1 346.383 2.730 20 5 EFBDMN C[C@@H]1CCCN1C(=O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135241432 473042261 /nfs/dbraw/zinc/04/22/61/473042261.db2.gz HGVACWNXKVNHCX-CQSZACIVSA-N 0 1 331.416 2.960 20 5 EFBDMN Cc1[nH]ncc1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051381506 473045480 /nfs/dbraw/zinc/04/54/80/473045480.db2.gz LVPKLXATKVGMHK-UHFFFAOYSA-N 0 1 343.368 2.680 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159667430 473049872 /nfs/dbraw/zinc/04/98/72/473049872.db2.gz FQVFLANVWKPEHD-WFASDCNBSA-N 0 1 333.388 2.806 20 5 EFBDMN CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000051506469 473052856 /nfs/dbraw/zinc/05/28/56/473052856.db2.gz KVZGEZSPNWPITD-CQSZACIVSA-N 0 1 344.367 2.745 20 5 EFBDMN CNC(=O)c1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000051504453 473053574 /nfs/dbraw/zinc/05/35/74/473053574.db2.gz VDRWNROJBLMGIH-UHFFFAOYSA-N 0 1 327.384 2.895 20 5 EFBDMN Cc1cc(NCc2nc(-c3ccc(F)cc3)n[nH]2)ncc1[N+](=O)[O-] ZINC000074748491 473057283 /nfs/dbraw/zinc/05/72/83/473057283.db2.gz UFBQEYUAVLKZCV-UHFFFAOYSA-N 0 1 328.307 2.835 20 5 EFBDMN Cc1cc(NCc2n[nH]c(-c3ccc(F)cc3)n2)ncc1[N+](=O)[O-] ZINC000074748491 473057285 /nfs/dbraw/zinc/05/72/85/473057285.db2.gz UFBQEYUAVLKZCV-UHFFFAOYSA-N 0 1 328.307 2.835 20 5 EFBDMN Cc1cc(N2CC[C@H](CN3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000080650598 473064002 /nfs/dbraw/zinc/06/40/02/473064002.db2.gz UOPWFWWGSOMAEQ-CYBMUJFWSA-N 0 1 339.823 2.715 20 5 EFBDMN CSC[C@@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000135450245 473073775 /nfs/dbraw/zinc/07/37/75/473073775.db2.gz REHRISSLDBJLLS-ZDUSSCGKSA-N 0 1 334.401 2.972 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1 ZINC000080870135 473092865 /nfs/dbraw/zinc/09/28/65/473092865.db2.gz IGHMFDUUTSWCIP-UHFFFAOYSA-N 0 1 344.302 2.549 20 5 EFBDMN CC[C@]1(C)CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000135695979 473106801 /nfs/dbraw/zinc/10/68/01/473106801.db2.gz CSPJYFKCZSXYGZ-QGZVFWFLSA-N 0 1 335.404 2.733 20 5 EFBDMN CC[C@@]1(C)CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000135696003 473107037 /nfs/dbraw/zinc/10/70/37/473107037.db2.gz CSPJYFKCZSXYGZ-KRWDZBQOSA-N 0 1 335.404 2.733 20 5 EFBDMN CC(=O)NC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000123262643 473118515 /nfs/dbraw/zinc/11/85/15/473118515.db2.gz SVUJNDWGNYRXIY-UHFFFAOYSA-N 0 1 343.383 2.955 20 5 EFBDMN Cc1cc(N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160469802 473130524 /nfs/dbraw/zinc/13/05/24/473130524.db2.gz UMRYXCFFXJPUFJ-HLLBOEOZSA-N 0 1 333.432 2.981 20 5 EFBDMN O=C(NCC1(c2ccc(F)cc2)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000136259129 473146776 /nfs/dbraw/zinc/14/67/76/473146776.db2.gz HKLRCWVQHBFGFA-UHFFFAOYSA-N 0 1 332.335 2.699 20 5 EFBDMN Cn1ccnc1C[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000123566431 473159400 /nfs/dbraw/zinc/15/94/00/473159400.db2.gz HAGUXFSHPZSZOU-ZDUSSCGKSA-N 0 1 332.379 2.922 20 5 EFBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000075297414 473162623 /nfs/dbraw/zinc/16/26/23/473162623.db2.gz LJGGJCZVEMEXCG-UHFFFAOYSA-N 0 1 328.303 2.583 20 5 EFBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1Cc1ccccc1 ZINC000066921111 473176389 /nfs/dbraw/zinc/17/63/89/473176389.db2.gz IWMRPHSKBDCPHX-GOSISDBHSA-N 0 1 339.395 2.876 20 5 EFBDMN O=C(NC[C@@H]1CCc2ccccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000110974160 473186030 /nfs/dbraw/zinc/18/60/30/473186030.db2.gz RMYVFCXTEBRNED-LBPRGKRZSA-N 0 1 336.351 2.931 20 5 EFBDMN COCCN(C)c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000190794220 473395601 /nfs/dbraw/zinc/39/56/01/473395601.db2.gz VREYCGPAIYGYPQ-AWEZNQCLSA-N 0 1 344.415 2.923 20 5 EFBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(O)(c3ccccc3)CC2)c1 ZINC000185484032 473438377 /nfs/dbraw/zinc/43/83/77/473438377.db2.gz MXMSHTXJQSQTEQ-SFHVURJKSA-N 0 1 342.395 2.612 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)CCCc2ccccc2)c1[N+](=O)[O-] ZINC000171803855 473461605 /nfs/dbraw/zinc/46/16/05/473461605.db2.gz QWFJUOAKRIBIHM-UHFFFAOYSA-N 0 1 330.388 2.975 20 5 EFBDMN NC(=O)[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000151824807 473496777 /nfs/dbraw/zinc/49/67/77/473496777.db2.gz OLHXMFGRKKOPSI-KRWDZBQOSA-N 0 1 345.374 2.873 20 5 EFBDMN CCc1[nH]nc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000172092201 473520685 /nfs/dbraw/zinc/52/06/85/473520685.db2.gz RLWSQVHWYIFLDU-WCQYABFASA-N 0 1 328.372 2.899 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H](C3OCCO3)C2)c1 ZINC000172178077 473542821 /nfs/dbraw/zinc/54/28/21/473542821.db2.gz MXOCLLUSBVQNBT-LLVKDONJSA-N 0 1 326.780 2.833 20 5 EFBDMN CC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000172181830 473543443 /nfs/dbraw/zinc/54/34/43/473543443.db2.gz OXRJNCQRJOLVMY-UHFFFAOYSA-N 0 1 334.353 2.907 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2ccccc2N(C)C)ccc1[N+](=O)[O-] ZINC000172192948 473545896 /nfs/dbraw/zinc/54/58/96/473545896.db2.gz WCNOQQLQCNEHJZ-UHFFFAOYSA-N 0 1 335.385 2.770 20 5 EFBDMN Cn1cccc1[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000172252704 473561718 /nfs/dbraw/zinc/56/17/18/473561718.db2.gz OUAJOMJOGYNCAR-HNNXBMFYSA-N 0 1 339.355 2.787 20 5 EFBDMN CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186048967 473579578 /nfs/dbraw/zinc/57/95/78/473579578.db2.gz HWKIFTPVWPAWAX-NSHDSACASA-N 0 1 327.768 2.767 20 5 EFBDMN CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186048967 473579583 /nfs/dbraw/zinc/57/95/83/473579583.db2.gz HWKIFTPVWPAWAX-NSHDSACASA-N 0 1 327.768 2.767 20 5 EFBDMN Cc1cc(C2CC2)nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000191808101 473580534 /nfs/dbraw/zinc/58/05/34/473580534.db2.gz AQXHVLOTCSJUGT-UHFFFAOYSA-N 0 1 348.384 2.680 20 5 EFBDMN COc1ccc(NC(=O)[C@H](C)N2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153170944 473611904 /nfs/dbraw/zinc/61/19/04/473611904.db2.gz VTMOUJQOCLXOLX-YNEHKIRRSA-N 0 1 333.388 2.662 20 5 EFBDMN CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186297927 473641089 /nfs/dbraw/zinc/64/10/89/473641089.db2.gz JSMAXZDIPCHLMY-OAHLLOKOSA-N 0 1 343.383 2.924 20 5 EFBDMN CC(C)(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000116234606 473641313 /nfs/dbraw/zinc/64/13/13/473641313.db2.gz RENPUCXBDMVUMK-UHFFFAOYSA-N 0 1 331.357 2.593 20 5 EFBDMN CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186297943 473641377 /nfs/dbraw/zinc/64/13/77/473641377.db2.gz JSMAXZDIPCHLMY-HNNXBMFYSA-N 0 1 343.383 2.924 20 5 EFBDMN COC(=O)c1cc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000153906449 473648974 /nfs/dbraw/zinc/64/89/74/473648974.db2.gz MXUNFTCJRQASLC-UTUOFQBUSA-N 0 1 349.387 2.581 20 5 EFBDMN COC(=O)c1cc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000153906234 473649841 /nfs/dbraw/zinc/64/98/41/473649841.db2.gz MXUNFTCJRQASLC-TUAOUCFPSA-N 0 1 349.387 2.581 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)[C@](C)(N)c2ccccc2)cc1[N+](=O)[O-] ZINC000192507598 473686963 /nfs/dbraw/zinc/68/69/63/473686963.db2.gz UOLKUQHTCREYCZ-SCLBCKFNSA-N 0 1 327.384 2.955 20 5 EFBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000179510332 473692318 /nfs/dbraw/zinc/69/23/18/473692318.db2.gz SCJDHWJLTWOINQ-UHFFFAOYSA-N 0 1 342.359 2.754 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCCSC ZINC000281404687 473709429 /nfs/dbraw/zinc/70/94/29/473709429.db2.gz NUSDVWZLUVOOMP-LLVKDONJSA-N 0 1 341.433 2.615 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000172947046 473710269 /nfs/dbraw/zinc/71/02/69/473710269.db2.gz NIBUPWDBRHBNKD-AWEZNQCLSA-N 0 1 333.413 2.997 20 5 EFBDMN CC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cc(F)ccc1F ZINC000179773973 473723285 /nfs/dbraw/zinc/72/32/85/473723285.db2.gz LPBJCDMNLOPWMD-HNNXBMFYSA-N 0 1 337.326 2.776 20 5 EFBDMN COC(=O)c1cccc2nc(NC(=O)c3csc([N+](=O)[O-])c3)[nH]c21 ZINC000179776999 473724838 /nfs/dbraw/zinc/72/48/38/473724838.db2.gz DIMVMJVXLZRUOE-UHFFFAOYSA-N 0 1 346.324 2.572 20 5 EFBDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000263094317 473742437 /nfs/dbraw/zinc/74/24/37/473742437.db2.gz UYIDRYMNXBNRHA-ONGXEEELSA-N 0 1 344.314 2.739 20 5 EFBDMN CC(C)(C)S(=O)(=O)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192992266 473757511 /nfs/dbraw/zinc/75/75/11/473757511.db2.gz YIOTZVODEBBWSE-HNNXBMFYSA-N 0 1 340.445 2.775 20 5 EFBDMN O=C([O-])c1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000263510982 473764044 /nfs/dbraw/zinc/76/40/44/473764044.db2.gz YTLJABKSXZFQCZ-UHFFFAOYSA-N 0 1 341.367 2.615 20 5 EFBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000269299753 473765843 /nfs/dbraw/zinc/76/58/43/473765843.db2.gz TZQKLWHIWMGOEU-HNNXBMFYSA-N 0 1 326.352 2.930 20 5 EFBDMN COc1ccc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000269303698 473767521 /nfs/dbraw/zinc/76/75/21/473767521.db2.gz CZJFYPIFSFFGFV-UHFFFAOYSA-N 0 1 332.360 2.722 20 5 EFBDMN COc1ccccc1CN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269320865 473772167 /nfs/dbraw/zinc/77/21/67/473772167.db2.gz IVTPYYMYYGTACO-UHFFFAOYSA-N 0 1 332.360 2.722 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)COC3)ccc1[N+](=O)[O-] ZINC000180091050 473795440 /nfs/dbraw/zinc/79/54/40/473795440.db2.gz UNWJNGFHYMBVIC-UHFFFAOYSA-N 0 1 334.353 2.734 20 5 EFBDMN CCN(CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000173286604 473795835 /nfs/dbraw/zinc/79/58/35/473795835.db2.gz SEMBSHVTNJCYKU-MRXNPFEDSA-N 0 1 345.399 2.930 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000263695316 473809906 /nfs/dbraw/zinc/80/99/06/473809906.db2.gz JRHXXKAKCYARPN-ZDUSSCGKSA-N 0 1 332.335 2.997 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCS[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000269441640 473811368 /nfs/dbraw/zinc/81/13/68/473811368.db2.gz DYXFDYNPXWWXHG-JTQLQIEISA-N 0 1 326.422 2.655 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCS[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000269441643 473811658 /nfs/dbraw/zinc/81/16/58/473811658.db2.gz DYXFDYNPXWWXHG-SNVBAGLBSA-N 0 1 326.422 2.655 20 5 EFBDMN COc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000173471689 473846975 /nfs/dbraw/zinc/84/69/75/473846975.db2.gz UCSYJTKRXSYKRZ-CYBMUJFWSA-N 0 1 346.362 2.824 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246406049 473853455 /nfs/dbraw/zinc/85/34/55/473853455.db2.gz LKVKSELOUUDFHN-AGIUHOORSA-N 0 1 349.456 2.817 20 5 EFBDMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(Cl)c1F ZINC000187345744 473860807 /nfs/dbraw/zinc/86/08/07/473860807.db2.gz AFMPGWIQJGUVQB-UHFFFAOYSA-N 0 1 326.715 2.776 20 5 EFBDMN COc1ccc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180407637 473871242 /nfs/dbraw/zinc/87/12/42/473871242.db2.gz FCJHOOOWZATNQO-GFCCVEGCSA-N 0 1 329.356 2.893 20 5 EFBDMN COc1cccc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180437080 473878171 /nfs/dbraw/zinc/87/81/71/473878171.db2.gz AYXXZDLXPWPFLM-LBPRGKRZSA-N 0 1 329.356 2.893 20 5 EFBDMN Cc1ccccc1CCNC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443267 473879267 /nfs/dbraw/zinc/87/92/67/473879267.db2.gz SPWIZTPQRBSNLX-HNNXBMFYSA-N 0 1 341.411 2.913 20 5 EFBDMN C[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000246585686 473909541 /nfs/dbraw/zinc/90/95/41/473909541.db2.gz GJONRYUEQDXOMP-RYUDHWBXSA-N 0 1 349.387 2.630 20 5 EFBDMN C[C@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000246585686 473909551 /nfs/dbraw/zinc/90/95/51/473909551.db2.gz GJONRYUEQDXOMP-RYUDHWBXSA-N 0 1 349.387 2.630 20 5 EFBDMN CS[C@H]1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000274709099 473928619 /nfs/dbraw/zinc/92/86/19/473928619.db2.gz XDHQVNDKKZIZDN-IRXDYDNUSA-N 0 1 349.456 2.813 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@H](c3ccccc3)OCC2(C)C)c1[N+](=O)[O-] ZINC000264153070 473953100 /nfs/dbraw/zinc/95/31/00/473953100.db2.gz HBFSJMVVFPEEHX-CYBMUJFWSA-N 0 1 344.371 2.619 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000264160311 473953327 /nfs/dbraw/zinc/95/33/27/473953327.db2.gz BBDGZEAFUHWKQL-CYBMUJFWSA-N 0 1 331.376 2.722 20 5 EFBDMN CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000288485106 473956073 /nfs/dbraw/zinc/95/60/73/473956073.db2.gz FDNPWRHZUUCRBM-CYBMUJFWSA-N 0 1 332.360 2.858 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000274859895 473991652 /nfs/dbraw/zinc/99/16/52/473991652.db2.gz VSMFBUSMNWVART-GJZGRUSLSA-N 0 1 332.356 2.664 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000188154055 474002220 /nfs/dbraw/zinc/00/22/20/474002220.db2.gz SDNHUMYVEPGJFE-MRVPVSSYSA-N 0 1 338.314 2.992 20 5 EFBDMN C[C@@H](NC(=O)[C@H]1NCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000195111436 474007317 /nfs/dbraw/zinc/00/73/17/474007317.db2.gz OWIPUYTXHIDTDN-PXAZEXFGSA-N 0 1 325.368 2.659 20 5 EFBDMN C[C@H](NC(=O)[C@H]1NCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000195111424 474008411 /nfs/dbraw/zinc/00/84/11/474008411.db2.gz OWIPUYTXHIDTDN-SJCJKPOMSA-N 0 1 325.368 2.659 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000188236896 474028226 /nfs/dbraw/zinc/02/82/26/474028226.db2.gz BTQLJFATNYWYNT-CYBMUJFWSA-N 0 1 332.335 2.997 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(O)c1 ZINC000181519813 474043240 /nfs/dbraw/zinc/04/32/40/474043240.db2.gz WSSKHJZUVXOBOJ-NSHDSACASA-N 0 1 345.355 2.598 20 5 EFBDMN C[C@@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181570173 474048603 /nfs/dbraw/zinc/04/86/03/474048603.db2.gz SYEHBCVRBGKASX-NWDGAFQWSA-N 0 1 329.356 2.978 20 5 EFBDMN C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000264684114 474086778 /nfs/dbraw/zinc/08/67/78/474086778.db2.gz APIZDRMIWCLIAK-CYBMUJFWSA-N 0 1 342.399 2.626 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174872657 474109757 /nfs/dbraw/zinc/10/97/57/474109757.db2.gz GXHPWEYASMOCJN-UHFFFAOYSA-N 0 1 340.339 2.718 20 5 EFBDMN Cc1ccc2nc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC000174907923 474116176 /nfs/dbraw/zinc/11/61/76/474116176.db2.gz BJXLSAPBAROLID-UHFFFAOYSA-N 0 1 328.303 2.849 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CC=C(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000270434615 474116637 /nfs/dbraw/zinc/11/66/37/474116637.db2.gz IUPAERJVVUEDNP-UHFFFAOYSA-N 0 1 332.282 2.605 20 5 EFBDMN O=C(c1ccc(O)c(Cl)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188541247 474123569 /nfs/dbraw/zinc/12/35/69/474123569.db2.gz OIQKBDHLXSAIJJ-UHFFFAOYSA-N 0 1 348.742 2.857 20 5 EFBDMN O=C(c1cccc2nn[nH]c21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188595268 474137153 /nfs/dbraw/zinc/13/71/53/474137153.db2.gz RACHFCKAOQPRPG-UHFFFAOYSA-N 0 1 337.339 2.671 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@H]2C1 ZINC000247473133 474154774 /nfs/dbraw/zinc/15/47/74/474154774.db2.gz VMSSBYCOZAXYMQ-AVGNSLFASA-N 0 1 333.388 2.662 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000270596374 474183086 /nfs/dbraw/zinc/18/30/86/474183086.db2.gz CFPDCVFFTVMARO-JTQLQIEISA-N 0 1 349.416 2.806 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000247744754 474207701 /nfs/dbraw/zinc/20/77/01/474207701.db2.gz XUDBRRYIZXEWBM-OCCSQVGLSA-N 0 1 335.404 2.731 20 5 EFBDMN O=C(NCc1ccc(OC2CCCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000270748130 474249016 /nfs/dbraw/zinc/24/90/16/474249016.db2.gz ZOHWXZFKIRIPJH-UHFFFAOYSA-N 0 1 330.344 2.569 20 5 EFBDMN O=[N+]([O-])c1cc(Br)cc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000228560529 474249448 /nfs/dbraw/zinc/24/94/48/474249448.db2.gz GUJQFLFBJXMLNY-JTQLQIEISA-N 0 1 339.149 2.832 20 5 EFBDMN Cc1cnc([C@@H](C)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000175627767 474267610 /nfs/dbraw/zinc/26/76/10/474267610.db2.gz AOYQMAXQNUSXOH-MRVPVSSYSA-N 0 1 345.377 2.538 20 5 EFBDMN CC(C)c1ccc(C(=O)N2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000189066882 474279046 /nfs/dbraw/zinc/27/90/46/474279046.db2.gz YAAHMHHQLFGCBG-UHFFFAOYSA-N 0 1 331.416 2.886 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCC(=O)Nc1ccccn1 ZINC000608782115 480093389 /nfs/dbraw/zinc/09/33/89/480093389.db2.gz QJOXSEUTBCTAFK-UHFFFAOYSA-N 0 1 344.371 2.507 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3ccccc3OC)C2)c1[N+](=O)[O-] ZINC000265822729 474351173 /nfs/dbraw/zinc/35/11/73/474351173.db2.gz SDXVZTSTNSGATK-NSHDSACASA-N 0 1 344.371 2.519 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(CCC(N)=O)CC1 ZINC000270988861 474354428 /nfs/dbraw/zinc/35/44/28/474354428.db2.gz BAFLBPDUACDISG-UHFFFAOYSA-N 0 1 349.431 2.860 20 5 EFBDMN Cc1cc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000176138678 474393770 /nfs/dbraw/zinc/39/37/70/474393770.db2.gz OICBCRZWFKVBPN-UHFFFAOYSA-N 0 1 342.330 2.891 20 5 EFBDMN O=[N+]([O-])c1ccn(CCN(Cc2cccs2)C[C@H]2CCCO2)n1 ZINC000176197059 474406572 /nfs/dbraw/zinc/40/65/72/474406572.db2.gz BACGPOKQYWSNME-CYBMUJFWSA-N 0 1 336.417 2.534 20 5 EFBDMN COC[C@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000276066887 474406741 /nfs/dbraw/zinc/40/67/41/474406741.db2.gz RZGHYHQPCLXVCT-TZMCWYRMSA-N 0 1 331.372 2.692 20 5 EFBDMN COc1ccc([C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)c(OC)c1 ZINC000176198051 474406958 /nfs/dbraw/zinc/40/69/58/474406958.db2.gz SCDHFTGMKCOVPS-HNNXBMFYSA-N 0 1 346.387 2.646 20 5 EFBDMN CCCCNC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283470425 474411057 /nfs/dbraw/zinc/41/10/57/474411057.db2.gz IOTUXLWSPZHBSQ-AWEZNQCLSA-N 0 1 337.395 2.862 20 5 EFBDMN C[C@H](CF)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289760975 474414787 /nfs/dbraw/zinc/41/47/87/474414787.db2.gz IDDWCSHYCVRFGU-SSDOTTSWSA-N 0 1 338.120 2.647 20 5 EFBDMN C[C@@H](CF)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289760979 474415074 /nfs/dbraw/zinc/41/50/74/474415074.db2.gz IDDWCSHYCVRFGU-ZETCQYMHSA-N 0 1 338.120 2.647 20 5 EFBDMN C[C@@]1(CCCO)CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000271186557 474429371 /nfs/dbraw/zinc/42/93/71/474429371.db2.gz KFEMGQZQLBOLMI-KRWDZBQOSA-N 0 1 336.388 2.588 20 5 EFBDMN COc1ccc([C@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000266916636 474528348 /nfs/dbraw/zinc/52/83/48/474528348.db2.gz GLQUZPQOTYSWRY-OAHLLOKOSA-N 0 1 346.387 2.646 20 5 EFBDMN COCCOC[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266936284 474538406 /nfs/dbraw/zinc/53/84/06/474538406.db2.gz OKMNKFNRLCWFKS-GFCCVEGCSA-N 0 1 328.796 2.733 20 5 EFBDMN Cc1cc(C[C@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)n[nH]1 ZINC000284012233 474549359 /nfs/dbraw/zinc/54/93/59/474549359.db2.gz 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/nfs/dbraw/zinc/39/43/76/475394376.db2.gz AFUGGHMTZQGLPC-AWEZNQCLSA-N 0 1 329.400 2.606 20 5 EFBDMN O=C1[C@H](N2CC[C@@H](CC3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339675832 475399875 /nfs/dbraw/zinc/39/98/75/475399875.db2.gz QUTFKNQWJVLWRA-WMLDXEAASA-N 0 1 329.400 2.822 20 5 EFBDMN C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCOC1 ZINC000348142387 475423981 /nfs/dbraw/zinc/42/39/81/475423981.db2.gz NFQYQJSFRZJAID-YPMHNXCESA-N 0 1 332.360 2.550 20 5 EFBDMN COc1cccc(CNC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296723901 475446651 /nfs/dbraw/zinc/44/66/51/475446651.db2.gz NGKMGXBUUGKPAG-ZDUSSCGKSA-N 0 1 343.383 2.570 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000296764257 475465905 /nfs/dbraw/zinc/46/59/05/475465905.db2.gz BYMVDMPBSXQWDU-LLVKDONJSA-N 0 1 325.796 2.805 20 5 EFBDMN O=C(Nc1ccc2nc[nH]c2c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352625935 475468867 /nfs/dbraw/zinc/46/88/67/475468867.db2.gz KSCCUWQWDQEDKX-UHFFFAOYSA-N 0 1 349.306 2.977 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ZINC000361524522 475520534 /nfs/dbraw/zinc/52/05/34/475520534.db2.gz AOJKUVPZCPCEDI-MRXNPFEDSA-N 0 1 331.416 2.880 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000296915510 475533599 /nfs/dbraw/zinc/53/35/99/475533599.db2.gz LJVSQAZAULZJSL-GFCCVEGCSA-N 0 1 330.388 2.632 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1C ZINC000345904269 475542948 /nfs/dbraw/zinc/54/29/48/475542948.db2.gz KVIRJYKMBSOMMT-NEPJUHHUSA-N 0 1 330.388 2.631 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C2CCOCC2)C1 ZINC000332245719 475574096 /nfs/dbraw/zinc/57/40/96/475574096.db2.gz AUFDRWXQGRTHIC-HNNXBMFYSA-N 0 1 347.415 2.590 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C2CCOCC2)C1 ZINC000332245720 475574243 /nfs/dbraw/zinc/57/42/43/475574243.db2.gz AUFDRWXQGRTHIC-OAHLLOKOSA-N 0 1 347.415 2.590 20 5 EFBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN(CC2CC2)C2CCC2)cc1 ZINC000361589734 475576996 /nfs/dbraw/zinc/57/69/96/475576996.db2.gz WJWDARRFFUWURT-UHFFFAOYSA-N 0 1 338.429 2.633 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1C ZINC000332320529 475600463 /nfs/dbraw/zinc/60/04/63/475600463.db2.gz RHFOPTUJYBEGQB-MRXNPFEDSA-N 0 1 342.399 2.555 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000297119815 475618914 /nfs/dbraw/zinc/61/89/14/475618914.db2.gz YQXFCDHKHFQOGQ-ZDUSSCGKSA-N 0 1 344.415 2.561 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000297152106 475630612 /nfs/dbraw/zinc/63/06/12/475630612.db2.gz KNNJLYITHVJWBG-UHFFFAOYSA-N 0 1 332.364 2.775 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000332416437 475631105 /nfs/dbraw/zinc/63/11/05/475631105.db2.gz NERWRQTVFZNWEF-UHFFFAOYSA-N 0 1 328.372 2.900 20 5 EFBDMN Cc1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n[nH]1 ZINC000332426668 475634650 /nfs/dbraw/zinc/63/46/50/475634650.db2.gz CINSPVAVOSDMRL-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN C[C@H](NC(=O)N1C[C@@H]2CCCCN2C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000332432530 475636029 /nfs/dbraw/zinc/63/60/29/475636029.db2.gz HTFSYLUKYQQNQQ-ILXRZTDVSA-N 0 1 346.431 2.924 20 5 EFBDMN C[C@H](NC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000332432531 475636294 /nfs/dbraw/zinc/63/62/94/475636294.db2.gz HTFSYLUKYQQNQQ-KKUMJFAQSA-N 0 1 346.431 2.924 20 5 EFBDMN C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1CO ZINC000361658583 475636796 /nfs/dbraw/zinc/63/67/96/475636796.db2.gz XXVBPIFBQOLWOP-WCQYABFASA-N 0 1 333.413 2.779 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](N2CCCC2=O)C1 ZINC000361658740 475636973 /nfs/dbraw/zinc/63/69/73/475636973.db2.gz GJMBUBMQLQIMRP-SHRNQRGKSA-N 0 1 329.400 2.695 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](N2CCCC2=O)C1 ZINC000361658739 475638344 /nfs/dbraw/zinc/63/83/44/475638344.db2.gz GJMBUBMQLQIMRP-QXSWTLKVSA-N 0 1 329.400 2.695 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[nH]1 ZINC000343001668 475689963 /nfs/dbraw/zinc/68/99/63/475689963.db2.gz ONLGMGPQKRJYAA-QMMMGPOBSA-N 0 1 337.767 2.981 20 5 EFBDMN COc1cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000358499788 475727442 /nfs/dbraw/zinc/72/74/42/475727442.db2.gz UAYSVNYTWBBRMR-STQMWFEESA-N 0 1 349.431 2.905 20 5 EFBDMN Cc1nc(NC2CCN([C@@H](C)c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000297435544 475757421 /nfs/dbraw/zinc/75/74/21/475757421.db2.gz IHHZWPYKYAXXOW-ZDUSSCGKSA-N 0 1 342.403 2.726 20 5 EFBDMN CCC1(CC)[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1OC ZINC000361828578 475791004 /nfs/dbraw/zinc/79/10/04/475791004.db2.gz LRWMMXJWKSZZFX-KBPBESRZSA-N 0 1 346.387 2.795 20 5 EFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338327463 475791311 /nfs/dbraw/zinc/79/13/11/475791311.db2.gz WQASWOVRSRVGMN-GXTWGEPZSA-N 0 1 345.403 2.984 20 5 EFBDMN COc1cc(CN2CCCC[C@@H]2c2n[nH]c(C)n2)ccc1[N+](=O)[O-] ZINC000338332720 475796457 /nfs/dbraw/zinc/79/64/57/475796457.db2.gz MYDOZIKSCPGPSK-CQSZACIVSA-N 0 1 331.376 2.757 20 5 EFBDMN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000338345110 475809274 /nfs/dbraw/zinc/80/92/74/475809274.db2.gz ROSRFLGGRUCCIK-LLVKDONJSA-N 0 1 332.335 2.808 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000346777580 475852472 /nfs/dbraw/zinc/85/24/72/475852472.db2.gz SXHLRWNPZUZGCF-RYUDHWBXSA-N 0 1 337.445 2.871 20 5 EFBDMN CC1=CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000355352913 475857694 /nfs/dbraw/zinc/85/76/94/475857694.db2.gz HNMXQZHUBCKHSS-UHFFFAOYSA-N 0 1 337.807 2.559 20 5 EFBDMN CC1=CCN(CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000355355212 475859747 /nfs/dbraw/zinc/85/97/47/475859747.db2.gz NMTIFVJXCYTZQD-UHFFFAOYSA-N 0 1 344.415 2.551 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CCCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340211447 475861393 /nfs/dbraw/zinc/86/13/93/475861393.db2.gz XFHZZVLPUAKYDM-KBPBESRZSA-N 0 1 348.321 2.751 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000340228015 475870358 /nfs/dbraw/zinc/87/03/58/475870358.db2.gz FIJNGFPCMACXDK-AWEZNQCLSA-N 0 1 345.384 2.662 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000297745095 475872512 /nfs/dbraw/zinc/87/25/12/475872512.db2.gz KCGMTLGXOUHXDU-UHFFFAOYSA-N 0 1 330.348 2.529 20 5 EFBDMN CN(C)C(=O)Nc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000358738768 475895919 /nfs/dbraw/zinc/89/59/19/475895919.db2.gz BHWGWBAIHJBUIK-UHFFFAOYSA-N 0 1 328.372 2.978 20 5 EFBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2cn[nH]n2)c1 ZINC000346878518 475932823 /nfs/dbraw/zinc/93/28/23/475932823.db2.gz GGNDJVJZFLVNKW-UHFFFAOYSA-N 0 1 337.339 2.951 20 5 EFBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000343318731 475946368 /nfs/dbraw/zinc/94/63/68/475946368.db2.gz IRGFLEPWAYZJRQ-NSHDSACASA-N 0 1 335.429 2.673 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2c2cccnc2)c1 ZINC000346971763 475999158 /nfs/dbraw/zinc/99/91/58/475999158.db2.gz NTSQAHFLSHWAEP-FUHWJXTLSA-N 0 1 343.383 2.567 20 5 EFBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C1 ZINC000355531789 476011729 /nfs/dbraw/zinc/01/17/29/476011729.db2.gz KWVWGDQZIJTZOP-ZDUSSCGKSA-N 0 1 325.368 2.615 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1CNCC(=O)N1Cc2ccccc2C1 ZINC000355539010 476016296 /nfs/dbraw/zinc/01/62/96/476016296.db2.gz ZUDPNHPSFATZHO-UHFFFAOYSA-N 0 1 325.368 2.535 20 5 EFBDMN Cc1ccc(CN[C@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000355544821 476020737 /nfs/dbraw/zinc/02/07/37/476020737.db2.gz INNVTRUHXVATHE-CQSZACIVSA-N 0 1 339.395 2.924 20 5 EFBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCN(C3CCC3)CC2)c1 ZINC000353516624 476036505 /nfs/dbraw/zinc/03/65/05/476036505.db2.gz ZHCRYFOZCQYSAB-UHFFFAOYSA-N 0 1 341.358 2.866 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]1Cc1ccccc1 ZINC000358939060 476055575 /nfs/dbraw/zinc/05/55/75/476055575.db2.gz TXJIMQDUEVSUPY-ZDUSSCGKSA-N 0 1 336.351 2.928 20 5 EFBDMN Cc1ccc(C(C)(C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000353567111 476085422 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/nfs/dbraw/zinc/42/16/91/477421691.db2.gz IDYOUVKMNFTMIT-HNNXBMFYSA-N 0 1 349.431 2.938 20 5 EFBDMN CC(C)(C)c1ccncc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000412571975 477437968 /nfs/dbraw/zinc/43/79/68/477437968.db2.gz QSZVVDWDCDUJMQ-UHFFFAOYSA-N 0 1 329.356 2.923 20 5 EFBDMN CC(C)N1CCCC[C@H]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000412997613 477466617 /nfs/dbraw/zinc/46/66/17/477466617.db2.gz WZRPRBDKIUZMEX-JTQLQIEISA-N 0 1 331.214 2.817 20 5 EFBDMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436635795 477538652 /nfs/dbraw/zinc/53/86/52/477538652.db2.gz WOOQSDRSZYNMHN-CYBMUJFWSA-N 0 1 349.431 2.931 20 5 EFBDMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436954309 477647781 /nfs/dbraw/zinc/64/77/81/477647781.db2.gz VJRSNLVICZEOHX-OKILXGFUSA-N 0 1 349.431 2.788 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1n[nH]c(C(C)(C)C)n1 ZINC000413404688 477665713 /nfs/dbraw/zinc/66/57/13/477665713.db2.gz DULGXCZGOCYACH-UHFFFAOYSA-N 0 1 347.375 2.718 20 5 EFBDMN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000413409111 477668086 /nfs/dbraw/zinc/66/80/86/477668086.db2.gz PCRUUUJSIVPLNH-UHFFFAOYSA-N 0 1 335.404 2.550 20 5 EFBDMN Cc1cc(NCCN2C[C@H]3CC[C@@H](C2)O3)c2cccc([N+](=O)[O-])c2n1 ZINC000450792635 477718343 /nfs/dbraw/zinc/71/83/43/477718343.db2.gz OJYBVMUIYQDQIU-OKILXGFUSA-N 0 1 342.399 2.727 20 5 EFBDMN COC[C@H](C)Nc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000437601092 477726414 /nfs/dbraw/zinc/72/64/14/477726414.db2.gz GGEZPLLQNZCCMI-NSHDSACASA-N 0 1 345.355 3.000 20 5 EFBDMN CCN1CCN(CC(C)(C)Nc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000450924210 477763050 /nfs/dbraw/zinc/76/30/50/477763050.db2.gz TWXNNZZTIPIHAR-UHFFFAOYSA-N 0 1 338.427 2.870 20 5 EFBDMN CCN(CCNC(=O)Cc1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427212925 477767079 /nfs/dbraw/zinc/76/70/79/477767079.db2.gz OFPRZKYHIAXYND-UHFFFAOYSA-N 0 1 347.337 2.528 20 5 EFBDMN O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000437878922 477770463 /nfs/dbraw/zinc/77/04/63/477770463.db2.gz RNXJUANVANEZMC-OAHLLOKOSA-N 0 1 347.415 2.827 20 5 EFBDMN O=[N+]([O-])c1cnn(CCN2CCCN(c3ccccc3Cl)CC2)c1 ZINC000450995346 477786701 /nfs/dbraw/zinc/78/67/01/477786701.db2.gz DHGGGFKNAGUZSH-UHFFFAOYSA-N 0 1 349.822 2.657 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](C)C[C@@H](CO)C1 ZINC000420939181 477839858 /nfs/dbraw/zinc/83/98/58/477839858.db2.gz LRBNGJWBKOGHNJ-FRRDWIJNSA-N 0 1 346.387 2.656 20 5 EFBDMN Cc1c(NC(=O)CCN2CCOC[C@@H]2C2CCC2)cccc1[N+](=O)[O-] ZINC000515840684 477867439 /nfs/dbraw/zinc/86/74/39/477867439.db2.gz WLFOCTULAGUACH-QGZVFWFLSA-N 0 1 347.415 2.733 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000456341420 477872980 /nfs/dbraw/zinc/87/29/80/477872980.db2.gz FISZPVCUHGNGNJ-CYBMUJFWSA-N 0 1 330.388 2.632 20 5 EFBDMN CC[C@H]1CN(CC)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000456344633 477874097 /nfs/dbraw/zinc/87/40/97/477874097.db2.gz HJCVPMXYBJMOOS-LBPRGKRZSA-N 0 1 330.388 2.632 20 5 EFBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)cc1 ZINC000438815379 477888085 /nfs/dbraw/zinc/88/80/85/477888085.db2.gz UXHYJGCBIXXLPK-UHFFFAOYSA-N 0 1 344.352 2.786 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000456377610 477898770 /nfs/dbraw/zinc/89/87/70/477898770.db2.gz LVLYXNALFXDYGN-CYBMUJFWSA-N 0 1 339.823 2.733 20 5 EFBDMN NC(=O)c1cccc(NC[C@H](c2ccco2)N2CCCC2)c1[N+](=O)[O-] ZINC000439134071 477934341 /nfs/dbraw/zinc/93/43/41/477934341.db2.gz NCEYXYIUSHQTSL-CQSZACIVSA-N 0 1 344.371 2.536 20 5 EFBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1Cc2ccccc21 ZINC000439187544 477940234 /nfs/dbraw/zinc/94/02/34/477940234.db2.gz DCAVCCKHODUYHF-CQSZACIVSA-N 0 1 335.323 2.658 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H](CO)CC(F)F)o1 ZINC000428649319 477948884 /nfs/dbraw/zinc/94/88/84/477948884.db2.gz KYONZEZXWZZHGR-JTQLQIEISA-N 0 1 326.299 2.961 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CO)CC(F)F)o2)cc1 ZINC000428652220 477950049 /nfs/dbraw/zinc/95/00/49/477950049.db2.gz RTDSFACPQLQFMF-NSHDSACASA-N 0 1 326.299 2.961 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000456525067 477964669 /nfs/dbraw/zinc/96/46/69/477964669.db2.gz QCZXTIOLAGIZBB-AWEZNQCLSA-N 0 1 333.432 2.815 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000456523712 477964821 /nfs/dbraw/zinc/96/48/21/477964821.db2.gz FQGZXLDQTNCTQF-OLZOCXBDSA-N 0 1 337.395 2.780 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000456539749 477973296 /nfs/dbraw/zinc/97/32/96/477973296.db2.gz YVWPJQZVPPIREH-LBPRGKRZSA-N 0 1 337.445 2.873 20 5 EFBDMN CO[C@H](CC(C)C)CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000421138946 477977223 /nfs/dbraw/zinc/97/72/23/477977223.db2.gz JGQAFZCOYGWTQW-CYBMUJFWSA-N 0 1 330.406 2.706 20 5 EFBDMN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000428774391 477980049 /nfs/dbraw/zinc/98/00/49/477980049.db2.gz VTJODFSOSJRGKR-KRWDZBQOSA-N 0 1 346.408 2.973 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421166845 477991838 /nfs/dbraw/zinc/99/18/38/477991838.db2.gz RDDYSZXBQNDAOW-CQSZACIVSA-N 0 1 344.433 2.960 20 5 EFBDMN CCCC[N@H+]1CCCC[C@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516869622 478001197 /nfs/dbraw/zinc/00/11/97/478001197.db2.gz MKEBVIRQBRWAKE-LBPRGKRZSA-N 0 1 336.392 2.755 20 5 EFBDMN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000421226367 478012748 /nfs/dbraw/zinc/01/27/48/478012748.db2.gz BADLBBQABQNRNP-ZDUSSCGKSA-N 0 1 330.406 2.706 20 5 EFBDMN CO[C@]1(C)C[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451481152 478040791 /nfs/dbraw/zinc/04/07/91/478040791.db2.gz AHHVCBSLRFEIPG-SUMWQHHRSA-N 0 1 346.387 2.938 20 5 EFBDMN CO[C@@H]1[C@H](C)[C@@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000451504092 478055821 /nfs/dbraw/zinc/05/58/21/478055821.db2.gz JLAKDYTWOMFCLK-VCTAVGKDSA-N 0 1 346.387 2.794 20 5 EFBDMN CC(=O)N[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000421398307 478074362 /nfs/dbraw/zinc/07/43/62/478074362.db2.gz YMTLCCXDPVMJTO-AWEZNQCLSA-N 0 1 329.356 2.565 20 5 EFBDMN CC(C)N1CC[C@H](N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451545526 478081409 /nfs/dbraw/zinc/08/14/09/478081409.db2.gz HPNZOTGLQFDKTR-WBVHZDCISA-N 0 1 331.416 2.784 20 5 EFBDMN COc1ccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000451546856 478083313 /nfs/dbraw/zinc/08/33/13/478083313.db2.gz KBRJTYKGKMVSON-AWEZNQCLSA-N 0 1 328.372 2.773 20 5 EFBDMN C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccn(C)n1 ZINC000459779452 478087175 /nfs/dbraw/zinc/08/71/75/478087175.db2.gz FWQQGVPOVIKUMS-LBPRGKRZSA-N 0 1 341.371 2.877 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C/C=C\c3ccncc3)C2)nc1 ZINC000494938780 478088013 /nfs/dbraw/zinc/08/80/13/478088013.db2.gz PCILWEWSLFXMSK-DJYNDVHFSA-N 0 1 325.372 2.584 20 5 EFBDMN COCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000487987997 478101159 /nfs/dbraw/zinc/10/11/59/478101159.db2.gz MCEYKELPAGJKIH-DZGCQCFKSA-N 0 1 349.431 2.979 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC000517561497 478102320 /nfs/dbraw/zinc/10/23/20/478102320.db2.gz CLOBUAVMDSCRQX-RKDXNWHRSA-N 0 1 336.772 2.807 20 5 EFBDMN Cc1c(NC(=O)CC[N@@H+]2CCN(C)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000488038650 478110225 /nfs/dbraw/zinc/11/02/25/478110225.db2.gz HTGLGOLBCRQAAF-KRWDZBQOSA-N 0 1 348.447 2.504 20 5 EFBDMN COc1cc(CN[C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])cc1F ZINC000429319585 478111336 /nfs/dbraw/zinc/11/13/36/478111336.db2.gz SBMFBUIJXMJPTG-LBPRGKRZSA-N 0 1 332.331 2.705 20 5 EFBDMN O=C(Nc1ccc(Cl)cc1O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533970028 478121221 /nfs/dbraw/zinc/12/12/21/478121221.db2.gz AWVOQNFQDPTDBD-UHFFFAOYSA-N 0 1 336.687 2.935 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC[C@H]1C1CCC1 ZINC000518527815 478175351 /nfs/dbraw/zinc/17/53/51/478175351.db2.gz HSQKIVOFAKRZKU-KRWDZBQOSA-N 0 1 347.415 2.733 20 5 EFBDMN CC[C@H]1CN(CC)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451726425 478179840 /nfs/dbraw/zinc/17/98/40/478179840.db2.gz TZKLTDFIDFCEEO-AWEZNQCLSA-N 0 1 345.403 2.561 20 5 EFBDMN CC[C@H]1CN(CC)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000451731082 478181742 /nfs/dbraw/zinc/18/17/42/478181742.db2.gz QGXIRSGENCITMU-AWEZNQCLSA-N 0 1 345.403 2.561 20 5 EFBDMN C[C@H]1CC[C@@H](N(CCO)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429762831 478188083 /nfs/dbraw/zinc/18/80/83/478188083.db2.gz QUCVIPBHKHDHGF-SWLSCSKDSA-N 0 1 346.387 2.628 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000489204150 478224739 /nfs/dbraw/zinc/22/47/39/478224739.db2.gz JWGXJAGYCMJHFX-BDAKNGLRSA-N 0 1 335.339 2.857 20 5 EFBDMN CCOc1cc(CN(CCOC)[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000489408441 478242665 /nfs/dbraw/zinc/24/26/65/478242665.db2.gz FOIUQVZYKCCFHZ-HIFRSBDPSA-N 0 1 338.404 2.619 20 5 EFBDMN COC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000519713942 478252393 /nfs/dbraw/zinc/25/23/93/478252393.db2.gz XWISINZQTWZHIB-SUMWQHHRSA-N 0 1 336.388 2.777 20 5 EFBDMN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000579463491 478303403 /nfs/dbraw/zinc/30/34/03/478303403.db2.gz VTBATJCSHJDWGX-IPYPFGDCSA-N 0 1 346.383 2.841 20 5 EFBDMN O=C1CCCN1CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000562716819 478328453 /nfs/dbraw/zinc/32/84/53/478328453.db2.gz ZESRRRSEAZTVJA-INIZCTEOSA-N 0 1 331.416 2.787 20 5 EFBDMN COCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@@H]1C ZINC000490335329 478330289 /nfs/dbraw/zinc/33/02/89/478330289.db2.gz FGHLUNNAECDPNB-XHDPSFHLSA-N 0 1 346.387 2.748 20 5 EFBDMN C[C@H](Cc1cnc[nH]1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594326473 478332278 /nfs/dbraw/zinc/33/22/78/478332278.db2.gz YYKNUSPSDSFLBX-GFCCVEGCSA-N 0 1 328.372 2.688 20 5 EFBDMN COCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000490336636 478332694 /nfs/dbraw/zinc/33/26/94/478332694.db2.gz LSGFGBRDNRGQBE-VXGBXAGGSA-N 0 1 338.408 2.719 20 5 EFBDMN Cc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570454957 478364162 /nfs/dbraw/zinc/36/41/62/478364162.db2.gz SJWNZIVNVYMTFI-CYBMUJFWSA-N 0 1 335.404 2.912 20 5 EFBDMN C[C@]12CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000590888301 478386099 /nfs/dbraw/zinc/38/60/99/478386099.db2.gz WBQYZCLCKFTJPW-MSNRECKUSA-N 0 1 340.383 2.979 20 5 EFBDMN O=C(CN1CC[C@H](C2CCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591062989 478446073 /nfs/dbraw/zinc/44/60/73/478446073.db2.gz DYRUNTZBLPWVIJ-HNNXBMFYSA-N 0 1 329.400 2.606 20 5 EFBDMN O=C(CN1CC[C@@H](C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000591062070 478447050 /nfs/dbraw/zinc/44/70/50/478447050.db2.gz ULKGLJOJYKFEID-OAHLLOKOSA-N 0 1 329.400 2.606 20 5 EFBDMN COc1ccc(NC(=O)CN2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591061815 478447075 /nfs/dbraw/zinc/44/70/75/478447075.db2.gz JTPRSIQEQSGQJV-CYBMUJFWSA-N 0 1 333.388 2.664 20 5 EFBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c([C@@H]3CCCO3)n2)c2ncccc12 ZINC000594589793 478450080 /nfs/dbraw/zinc/45/00/80/478450080.db2.gz ORZAKQSNXZKOQM-ZDUSSCGKSA-N 0 1 340.343 2.725 20 5 EFBDMN CCC(=O)c1ccc(NCc2n[nH]c([C@@H]3CCCO3)n2)c([N+](=O)[O-])c1 ZINC000594589435 478451046 /nfs/dbraw/zinc/45/10/46/478451046.db2.gz JWSCBIJFTZFAEJ-AWEZNQCLSA-N 0 1 345.359 2.769 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nccc(C3CC3)n2)c1C ZINC000600667432 478459115 /nfs/dbraw/zinc/45/91/15/478459115.db2.gz GYOITGABGDKIAH-UHFFFAOYSA-N 0 1 348.384 2.680 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000600674458 478463339 /nfs/dbraw/zinc/46/33/39/478463339.db2.gz KYLNUVVUGWFPIG-OAGGEKHMSA-N 0 1 334.372 2.549 20 5 EFBDMN Cc1ccccc1NC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 ZINC000597728039 478482719 /nfs/dbraw/zinc/48/27/19/478482719.db2.gz LCUNEDXWFLXGIA-UHFFFAOYSA-N 0 1 343.387 2.781 20 5 EFBDMN C[N@H+]1CC[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000570970587 478491531 /nfs/dbraw/zinc/49/15/31/478491531.db2.gz XJVMNYBHKUIBFT-KGLIPLIRSA-N 0 1 342.355 2.545 20 5 EFBDMN Cc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)oc1C(=O)[O-] ZINC000563278435 478503493 /nfs/dbraw/zinc/50/34/93/478503493.db2.gz JXALWQKBUPZEKM-UHFFFAOYSA-N 0 1 345.355 2.517 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000594734089 478521065 /nfs/dbraw/zinc/52/10/65/478521065.db2.gz OAGMTCGHMOSCTN-ZNMIVQPWSA-N 0 1 348.399 2.939 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc(CN[C@H](CO)C3CCCCC3)n2)cc1 ZINC000541052087 478533306 /nfs/dbraw/zinc/53/33/06/478533306.db2.gz XWGRQYPMYDXFQG-OAHLLOKOSA-N 0 1 346.387 2.676 20 5 EFBDMN CC(C)[C@@H]1CNCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600965822 478588930 /nfs/dbraw/zinc/58/89/30/478588930.db2.gz BUYMDIPTOCVLDJ-ZDUSSCGKSA-N 0 1 326.784 2.710 20 5 EFBDMN CNc1ccc(C(=O)Nc2c(C)n[nH]c2C(F)F)cc1[N+](=O)[O-] ZINC000541849048 478596064 /nfs/dbraw/zinc/59/60/64/478596064.db2.gz BELWDTXVXKFIHA-UHFFFAOYSA-N 0 1 325.275 2.858 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C[C@H]1CC ZINC000582506367 478614545 /nfs/dbraw/zinc/61/45/45/478614545.db2.gz BOQKZGGCVWQSNB-HZPDHXFCSA-N 0 1 333.432 2.716 20 5 EFBDMN CCc1nn(C)c(NCCN(CC)CCC(F)(F)F)c1[N+](=O)[O-] ZINC000491682456 478630658 /nfs/dbraw/zinc/63/06/58/478630658.db2.gz YLSANTUXOLZASN-UHFFFAOYSA-N 0 1 337.346 2.577 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595026823 478633378 /nfs/dbraw/zinc/63/33/78/478633378.db2.gz MMWBQNNAZQOOLU-VXGBXAGGSA-N 0 1 335.404 2.653 20 5 EFBDMN COCCc1ncc(CNCc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000601102834 478657258 /nfs/dbraw/zinc/65/72/58/478657258.db2.gz GQISDCMZAONVCA-UHFFFAOYSA-N 0 1 337.401 2.539 20 5 EFBDMN Cc1nocc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000601142540 478684347 /nfs/dbraw/zinc/68/43/47/478684347.db2.gz UHGILELNFLGMGV-UHFFFAOYSA-N 0 1 327.344 2.582 20 5 EFBDMN C[C@@H](C(=O)Nc1nc(-c2ccncc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000571839245 478686700 /nfs/dbraw/zinc/68/67/00/478686700.db2.gz UXSKLUBRFRWFFX-SNVBAGLBSA-N 0 1 338.327 2.517 20 5 EFBDMN COc1ccccc1C[C@@](C)(CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000601154005 478692948 /nfs/dbraw/zinc/69/29/48/478692948.db2.gz WMVDPZFJVCIVQY-SFHVURJKSA-N 0 1 348.374 2.826 20 5 EFBDMN COc1ccc(CC(=O)Nc2cc(C(C)=O)ccc2O)cc1[N+](=O)[O-] ZINC000542833652 478697947 /nfs/dbraw/zinc/69/79/47/478697947.db2.gz OBXGJARJIHFIPG-UHFFFAOYSA-N 0 1 344.323 2.693 20 5 EFBDMN CCCC[N@H+]1CCCC[C@@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000582847321 478702682 /nfs/dbraw/zinc/70/26/82/478702682.db2.gz JOUUWTBRLDNJRF-GFCCVEGCSA-N 0 1 336.392 2.755 20 5 EFBDMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000571895172 478703539 /nfs/dbraw/zinc/70/35/39/478703539.db2.gz MIWOWCGKFLWJHF-BDJLRTHQSA-N 0 1 346.412 2.771 20 5 EFBDMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595279405 478711073 /nfs/dbraw/zinc/71/10/73/478711073.db2.gz JQFYHBKJDRKZRV-WWGRRREGSA-N 0 1 336.388 2.937 20 5 EFBDMN C[C@@]12C[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000595279688 478711958 /nfs/dbraw/zinc/71/19/58/478711958.db2.gz XAEQASUIILQQTK-IQFXKTMKSA-N 0 1 328.368 2.937 20 5 EFBDMN Cc1noc(CN2CCCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595287154 478713408 /nfs/dbraw/zinc/71/34/08/478713408.db2.gz LSQKPTVZWWOYHZ-UHFFFAOYSA-N 0 1 330.388 2.599 20 5 EFBDMN Cc1noc(CN2CCN(Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595300436 478720667 /nfs/dbraw/zinc/72/06/67/478720667.db2.gz RGCGDSOTWKEATI-UHFFFAOYSA-N 0 1 344.415 2.988 20 5 EFBDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491891368 478726549 /nfs/dbraw/zinc/72/65/49/478726549.db2.gz COQZSSOASMCITE-YSSGOKQJSA-N 0 1 329.400 2.693 20 5 EFBDMN Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583027493 478746856 /nfs/dbraw/zinc/74/68/56/478746856.db2.gz QMNCGMNEROKFBA-BFQNTYOBSA-N 0 1 347.415 2.768 20 5 EFBDMN CC1(C)C[C@]1(NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000595413326 478765674 /nfs/dbraw/zinc/76/56/74/478765674.db2.gz YRLPRCRDLAWALE-INIZCTEOSA-N 0 1 347.396 2.594 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3c(F)cccc3F)C2)nc1 ZINC000592079650 478766996 /nfs/dbraw/zinc/76/69/96/478766996.db2.gz DWZHSINVCIFJKB-GFCCVEGCSA-N 0 1 348.353 2.997 20 5 EFBDMN C[C@@H](NC[C@@H](n1cncn1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601295646 478771629 /nfs/dbraw/zinc/77/16/29/478771629.db2.gz ZEKHCRXWXWHIPC-BXKDBHETSA-N 0 1 329.282 2.641 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](n1cncn1)C(F)(F)F ZINC000601295536 478772101 /nfs/dbraw/zinc/77/21/01/478772101.db2.gz WZEYSVHHJHAVDC-MFKMUULPSA-N 0 1 343.309 2.949 20 5 EFBDMN CN(CCC(C)(C)C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592145368 478796685 /nfs/dbraw/zinc/79/66/85/478796685.db2.gz WISDWPBXKMKNOP-UHFFFAOYSA-N 0 1 337.376 2.630 20 5 EFBDMN CCOc1cc(N2CCN([C@H]3COC(C)(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000595464056 478799150 /nfs/dbraw/zinc/79/91/50/478799150.db2.gz FOBLBJWXYPOOKG-OAHLLOKOSA-N 0 1 349.431 2.683 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN[C@H](CCO)c2ccccc2F)cc1 ZINC000592161157 478806130 /nfs/dbraw/zinc/80/61/30/478806130.db2.gz OIQDARHVKPQPCM-QGZVFWFLSA-N 0 1 334.347 2.826 20 5 EFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC2(C[C@H]1C)CCOCC2 ZINC000592183598 478817466 /nfs/dbraw/zinc/81/74/66/478817466.db2.gz URXNCEMUCUPZKU-ZIAGYGMSSA-N 0 1 347.415 2.813 20 5 EFBDMN CCN(CCSC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000592200126 478823112 /nfs/dbraw/zinc/82/31/12/478823112.db2.gz KPXKLSPRSGEUEA-LLVKDONJSA-N 0 1 341.433 2.615 20 5 EFBDMN CNC(=O)[C@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000492102489 478823987 /nfs/dbraw/zinc/82/39/87/478823987.db2.gz FFBPPKMEHVRWIP-ZDUSSCGKSA-N 0 1 342.399 2.587 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCCc2cn[nH]c21 ZINC000492120925 478834130 /nfs/dbraw/zinc/83/41/30/478834130.db2.gz VUTMAOGJQLYLLE-IYNGYCSASA-N 0 1 330.319 2.664 20 5 EFBDMN CNc1ccc(C(=O)N=c2cc(-c3ccc(C)o3)[nH][nH]2)cc1[N+](=O)[O-] ZINC000572570268 478866349 /nfs/dbraw/zinc/86/63/49/478866349.db2.gz NPIFWQURDMCPIY-UHFFFAOYSA-N 0 1 341.327 2.602 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCN3)no2)c(Br)c1 ZINC000592356690 478866924 /nfs/dbraw/zinc/86/69/24/478866924.db2.gz FKGUFSOUHHRJNJ-JTQLQIEISA-N 0 1 339.149 2.832 20 5 EFBDMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000507207844 478910348 /nfs/dbraw/zinc/91/03/48/478910348.db2.gz CRHUVQFMHJMOTJ-UHFFFAOYSA-N 0 1 338.283 2.707 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000492312763 478924329 /nfs/dbraw/zinc/92/43/29/478924329.db2.gz MPITVTDXGPSFLQ-SKVAFPRGSA-N 0 1 329.360 2.727 20 5 EFBDMN C[C@@H](CO)[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595670619 478926715 /nfs/dbraw/zinc/92/67/15/478926715.db2.gz GIEXPCTWFXHECS-SWLSCSKDSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CCO ZINC000595697616 478941557 /nfs/dbraw/zinc/94/15/57/478941557.db2.gz MASYMYHATLDKEC-IUODEOHRSA-N 0 1 346.387 2.628 20 5 EFBDMN C[NH+](C)CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000545585412 478943792 /nfs/dbraw/zinc/94/37/92/478943792.db2.gz KNEZCMVANPLCAJ-UHFFFAOYSA-N 0 1 343.343 2.580 20 5 EFBDMN COc1cc(CN2CCC[C@@H](C)[C@@H]2CCO)c([N+](=O)[O-])cc1F ZINC000595702203 478946669 /nfs/dbraw/zinc/94/66/69/478946669.db2.gz SWBOUURCNRYSKA-RISCZKNCSA-N 0 1 326.368 2.725 20 5 EFBDMN CC(C)Oc1nc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000565227076 478956723 /nfs/dbraw/zinc/95/67/23/478956723.db2.gz VAFUGCGZJJJMOX-OFQRWUPVSA-N 0 1 348.447 2.944 20 5 EFBDMN O=C(C=Cc1ccccc1[N+](=O)[O-])N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000492395355 478967721 /nfs/dbraw/zinc/96/77/21/478967721.db2.gz HHNOHSQLVCOQIH-MQNTZWLQSA-N 0 1 349.350 2.632 20 5 EFBDMN COc1ccc(CC(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1[N+](=O)[O-] ZINC000583946647 478977795 /nfs/dbraw/zinc/97/77/95/478977795.db2.gz FDSDXFVQTNRZIZ-UHFFFAOYSA-N 0 1 344.249 2.527 20 5 EFBDMN Cc1ccc(CN2CC[C@@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)cc1 ZINC000601878537 479053685 /nfs/dbraw/zinc/05/36/85/479053685.db2.gz CCVVUVKBUFFFFH-OAHLLOKOSA-N 0 1 345.424 2.969 20 5 EFBDMN Cc1ccc(CN2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)cc1 ZINC000601882420 479056258 /nfs/dbraw/zinc/05/62/58/479056258.db2.gz YIUVQGOYMDGHPS-AWEZNQCLSA-N 0 1 329.356 2.501 20 5 EFBDMN Cc1ncc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000601930877 479079361 /nfs/dbraw/zinc/07/93/61/479079361.db2.gz AOGDTLKRSCLXSX-QMTHXVAHSA-N 0 1 346.412 2.816 20 5 EFBDMN CN(C[C@@H]1CCCN1C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000566083743 479084907 /nfs/dbraw/zinc/08/49/07/479084907.db2.gz QDBNYECHFPVUSS-HNNXBMFYSA-N 0 1 349.434 2.848 20 5 EFBDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000598936114 479090439 /nfs/dbraw/zinc/09/04/39/479090439.db2.gz JXYDGGRJXUKYCM-MLGOLLRUSA-N 0 1 342.399 2.685 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4COC[C@@H]4C3)cs2)c1 ZINC000601978184 479106278 /nfs/dbraw/zinc/10/62/78/479106278.db2.gz YFINJRXJWGUSFS-BETUJISGSA-N 0 1 331.397 2.797 20 5 EFBDMN CC[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593059362 479150129 /nfs/dbraw/zinc/15/01/29/479150129.db2.gz PLSVZEPRJLDCHU-UONOGXRCSA-N 0 1 335.404 2.813 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)CO1 ZINC000593063272 479153587 /nfs/dbraw/zinc/15/35/87/479153587.db2.gz SYMNKPKNOPYHDT-ZFWWWQNUSA-N 0 1 335.404 2.731 20 5 EFBDMN O=C(c1ccccc1)c1ccc(N2CC[N@H+]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000599083197 479154244 /nfs/dbraw/zinc/15/42/44/479154244.db2.gz KJSJNCTUSQEVBO-INIZCTEOSA-N 0 1 337.379 2.720 20 5 EFBDMN O=C(c1ccccc1)c1ccc(N2CCN3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000599083197 479154250 /nfs/dbraw/zinc/15/42/50/479154250.db2.gz KJSJNCTUSQEVBO-INIZCTEOSA-N 0 1 337.379 2.720 20 5 EFBDMN Cc1cc(N2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000596130215 479154820 /nfs/dbraw/zinc/15/48/20/479154820.db2.gz NSYYENRBBSCZSA-UHFFFAOYSA-N 0 1 325.434 2.513 20 5 EFBDMN O=C([O-])[C@@H](c1cccnc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000584541694 479173682 /nfs/dbraw/zinc/17/36/82/479173682.db2.gz VLQNXQCTIZIKKX-DOTOQJQBSA-N 0 1 341.367 2.995 20 5 EFBDMN Cc1cccc(CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000584587868 479188655 /nfs/dbraw/zinc/18/86/55/479188655.db2.gz HHQMCYDGOBJWRW-UHFFFAOYSA-N 0 1 326.400 2.663 20 5 EFBDMN CC1(C)C[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc21 ZINC000610899029 479227261 /nfs/dbraw/zinc/22/72/61/479227261.db2.gz XRKLNZMOXCUBOT-CYBMUJFWSA-N 0 1 347.396 2.691 20 5 EFBDMN CCNc1ccc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593187909 479229199 /nfs/dbraw/zinc/22/91/99/479229199.db2.gz RPZWVQIDKKLOFI-AGIUHOORSA-N 0 1 334.420 2.580 20 5 EFBDMN CC(C)O[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000593242134 479257230 /nfs/dbraw/zinc/25/72/30/479257230.db2.gz YCUAYLQSFPVZNK-GFCCVEGCSA-N 0 1 332.360 2.501 20 5 EFBDMN CCN1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000611092233 479281771 /nfs/dbraw/zinc/28/17/71/479281771.db2.gz MDKVQBIJHKJHDQ-QWHCGFSZSA-N 0 1 345.403 2.732 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](CO)CC3CC3)cs2)c1 ZINC000611108220 479284193 /nfs/dbraw/zinc/28/41/93/479284193.db2.gz IGVARMQKCNNFDI-CYBMUJFWSA-N 0 1 333.413 2.969 20 5 EFBDMN O=C(NC[C@@H]1CCN1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000596501456 479319077 /nfs/dbraw/zinc/31/90/77/479319077.db2.gz FKMWVNQPYVBADV-KRWDZBQOSA-N 0 1 340.383 2.991 20 5 EFBDMN COCCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000611257704 479326515 /nfs/dbraw/zinc/32/65/15/479326515.db2.gz YWXPRBPMIFTMRO-UHFFFAOYSA-N 0 1 336.388 2.757 20 5 EFBDMN Cn1ccnc1[C@H](N[C@H]1CC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000586790674 479355607 /nfs/dbraw/zinc/35/56/07/479355607.db2.gz NCFBJXPRRBYQJJ-UKPHBRMFSA-N 0 1 344.415 2.558 20 5 EFBDMN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611431691 479378456 /nfs/dbraw/zinc/37/84/56/479378456.db2.gz CLFYFDNMYITYKG-SJKOYZFVSA-N 0 1 347.371 2.948 20 5 EFBDMN CC(C)[C@H]1CNCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000602527063 479382756 /nfs/dbraw/zinc/38/27/56/479382756.db2.gz JIZCALGPAQAJCI-CYBMUJFWSA-N 0 1 333.413 2.880 20 5 EFBDMN Cc1cc(C2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000593586380 479394299 /nfs/dbraw/zinc/39/42/99/479394299.db2.gz XWKRONUOFFOUIH-UHFFFAOYSA-N 0 1 346.362 2.714 20 5 EFBDMN CS[C@@H](CO)[C@@H](C)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602556734 479395615 /nfs/dbraw/zinc/39/56/15/479395615.db2.gz MHNRGPIRDKOJRN-PELKAZGASA-N 0 1 338.351 2.816 20 5 EFBDMN CS[C@H](CO)[C@@H](C)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602556735 479395635 /nfs/dbraw/zinc/39/56/35/479395635.db2.gz MHNRGPIRDKOJRN-PRHODGIISA-N 0 1 338.351 2.816 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C[C@H]2CCCO2)CC1 ZINC000611515105 479401608 /nfs/dbraw/zinc/40/16/08/479401608.db2.gz XZDMVDDDFZZFAY-DOTOQJQBSA-N 0 1 333.432 2.761 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCNc1cnccn1 ZINC000602569822 479402149 /nfs/dbraw/zinc/40/21/49/479402149.db2.gz SOPPFLRMVVBTCR-UHFFFAOYSA-N 0 1 341.293 2.605 20 5 EFBDMN COc1cccc2c1OCC[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611555843 479414031 /nfs/dbraw/zinc/41/40/31/479414031.db2.gz MJPARULJUZGBPD-AWEZNQCLSA-N 0 1 344.323 2.563 20 5 EFBDMN O=[N+]([O-])c1sc(CN[C@H](CO)CC(F)F)cc1Br ZINC000602635475 479439052 /nfs/dbraw/zinc/43/90/52/479439052.db2.gz FONCZNVDXMEZFM-YFKPBYRVSA-N 0 1 345.165 2.525 20 5 EFBDMN Cc1oc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000593743460 479443058 /nfs/dbraw/zinc/44/30/58/479443058.db2.gz ZIHZPBNHMJNDTF-UHFFFAOYSA-N 0 1 334.328 2.705 20 5 EFBDMN O=C([O-])[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000593743405 479443769 /nfs/dbraw/zinc/44/37/69/479443769.db2.gz CTFRXAJGZPRPOJ-KRWDZBQOSA-N 0 1 342.351 2.658 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000593745427 479444500 /nfs/dbraw/zinc/44/45/00/479444500.db2.gz ZMKHPVDPYKOADU-MRXNPFEDSA-N 0 1 342.351 2.787 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000593745427 479444505 /nfs/dbraw/zinc/44/45/05/479444505.db2.gz ZMKHPVDPYKOADU-MRXNPFEDSA-N 0 1 342.351 2.787 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000593745422 479444796 /nfs/dbraw/zinc/44/47/96/479444796.db2.gz ZMKHPVDPYKOADU-INIZCTEOSA-N 0 1 342.351 2.787 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000593745422 479444801 /nfs/dbraw/zinc/44/48/01/479444801.db2.gz ZMKHPVDPYKOADU-INIZCTEOSA-N 0 1 342.351 2.787 20 5 EFBDMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000593749086 479446125 /nfs/dbraw/zinc/44/61/25/479446125.db2.gz PMKRRTUCRIXBHU-RCBQFDQVSA-N 0 1 334.372 2.549 20 5 EFBDMN COc1cc(C[N@@H+]2CCc3cccc(C(=O)[O-])c3C2)ccc1[N+](=O)[O-] ZINC000593754710 479448605 /nfs/dbraw/zinc/44/86/05/479448605.db2.gz ZUWZXESGOSZGNL-UHFFFAOYSA-N 0 1 342.351 2.860 20 5 EFBDMN COc1cc(C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)ccc1[N+](=O)[O-] ZINC000593754710 479448610 /nfs/dbraw/zinc/44/86/10/479448610.db2.gz ZUWZXESGOSZGNL-UHFFFAOYSA-N 0 1 342.351 2.860 20 5 EFBDMN CCOc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000593755659 479448811 /nfs/dbraw/zinc/44/88/11/479448811.db2.gz KEVWHBYCMBXDIC-UONOGXRCSA-N 0 1 334.372 2.536 20 5 EFBDMN O=C1Nc2ccccc2[C@@]12CCN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000614583884 479449627 /nfs/dbraw/zinc/44/96/27/479449627.db2.gz QWQQHVVRVDJOFM-SFHVURJKSA-N 0 1 341.342 2.830 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnnn1-c1ccccc1 ZINC000588969819 479465933 /nfs/dbraw/zinc/46/59/33/479465933.db2.gz LQDKSZVAILISAA-UHFFFAOYSA-N 0 1 337.383 2.850 20 5 EFBDMN CO[C@H](CNCc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602677076 479468809 /nfs/dbraw/zinc/46/88/09/479468809.db2.gz RPKMSEHTDPHIKQ-SNVBAGLBSA-N 0 1 335.223 2.933 20 5 EFBDMN O=[N+]([O-])c1cccnc1N1CCN(Cc2cccc3ncccc23)CC1 ZINC000602686185 479474516 /nfs/dbraw/zinc/47/45/16/479474516.db2.gz BRUVSJQMYRMQSU-UHFFFAOYSA-N 0 1 349.394 2.860 20 5 EFBDMN C[C@@H](O)CN1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000589113518 479480379 /nfs/dbraw/zinc/48/03/79/479480379.db2.gz DEPPVEXJIIFCQG-GHMZBOCLSA-N 0 1 347.337 2.505 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCOc2ccccc2C1 ZINC000604186814 479482948 /nfs/dbraw/zinc/48/29/48/479482948.db2.gz OINCWWZNDBBINY-UHFFFAOYSA-N 0 1 338.323 2.506 20 5 EFBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(C(C)(C)C)[nH]n1 ZINC000618551726 479488804 /nfs/dbraw/zinc/48/88/04/479488804.db2.gz OVFHXYOAFPLCAX-UHFFFAOYSA-N 0 1 345.403 2.686 20 5 EFBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000575871921 479491648 /nfs/dbraw/zinc/49/16/48/479491648.db2.gz XIYULIUCAXFKGX-MBNYWOFBSA-N 0 1 348.403 2.530 20 5 EFBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000575871922 479492949 /nfs/dbraw/zinc/49/29/49/479492949.db2.gz XIYULIUCAXFKGX-SCRDCRAPSA-N 0 1 348.403 2.530 20 5 EFBDMN CCOC1CC2(C1)CCN(Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000589189938 479494175 /nfs/dbraw/zinc/49/41/75/479494175.db2.gz BLYXRKBECYLITI-UHFFFAOYSA-N 0 1 348.399 2.757 20 5 EFBDMN CN(CCN1CCCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000593884648 479496338 /nfs/dbraw/zinc/49/63/38/479496338.db2.gz VKNJHWXWNLJICP-UHFFFAOYSA-N 0 1 331.372 2.899 20 5 EFBDMN COc1cc2nc(NCc3ccc([N+](=O)[O-])cc3F)[nH]c2cc1OC ZINC000618619227 479516872 /nfs/dbraw/zinc/51/68/72/479516872.db2.gz PRRCQQCQJFYIND-UHFFFAOYSA-N 0 1 346.318 2.661 20 5 EFBDMN Cc1ccncc1[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611939335 479527054 /nfs/dbraw/zinc/52/70/54/479527054.db2.gz INMFVINJHRRLHG-QWHCGFSZSA-N 0 1 328.372 2.976 20 5 EFBDMN Cc1ccncc1[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611938955 479527589 /nfs/dbraw/zinc/52/75/89/479527589.db2.gz DCZVIHLHPZGXGG-CHWSQXEVSA-N 0 1 328.372 2.976 20 5 EFBDMN CCN(CC)Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)o1 ZINC000604505412 479529777 /nfs/dbraw/zinc/52/97/77/479529777.db2.gz YWTMFVKAJKJBRE-UHFFFAOYSA-N 0 1 331.372 2.960 20 5 EFBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000604506148 479529861 /nfs/dbraw/zinc/52/98/61/479529861.db2.gz LQQGPZQNNSVXQT-NSHDSACASA-N 0 1 331.397 2.776 20 5 EFBDMN CCN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(OC)cc1OC ZINC000602766336 479536648 /nfs/dbraw/zinc/53/66/48/479536648.db2.gz QJJZWJGHHXKQPP-UHFFFAOYSA-N 0 1 348.403 2.639 20 5 EFBDMN COC1CCC(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CC1 ZINC000614916160 479546582 /nfs/dbraw/zinc/54/65/82/479546582.db2.gz LRJFGUDRPXGNNN-UHFFFAOYSA-N 0 1 345.359 2.524 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000600184288 479569313 /nfs/dbraw/zinc/56/93/13/479569313.db2.gz OUWOQPOSEAEVFB-DTORHVGOSA-N 0 1 330.335 2.805 20 5 EFBDMN COCc1ccc([C@@H]2CCCN2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602812883 479570857 /nfs/dbraw/zinc/57/08/57/479570857.db2.gz SGZLVVDHISNDHO-AWEZNQCLSA-N 0 1 334.376 2.676 20 5 EFBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602892171 479615020 /nfs/dbraw/zinc/61/50/20/479615020.db2.gz RAKINIDWJYCLTM-HOTGVXAUSA-N 0 1 338.379 2.534 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCc3n[nH]nc3C2)o1 ZINC000597249097 479643003 /nfs/dbraw/zinc/64/30/03/479643003.db2.gz GVRDHJNPGOQVBH-UHFFFAOYSA-N 0 1 325.328 2.531 20 5 EFBDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000590421299 479644165 /nfs/dbraw/zinc/64/41/65/479644165.db2.gz MXRSCOCGAIPQAZ-RISCZKNCSA-N 0 1 328.372 2.642 20 5 EFBDMN NC(=O)c1ccc(CN2CCC3(CCSCC3)CC2)c([N+](=O)[O-])c1 ZINC000602950248 479647192 /nfs/dbraw/zinc/64/71/92/479647192.db2.gz ZPKHDKPDYCBLPB-UHFFFAOYSA-N 0 1 349.456 2.803 20 5 EFBDMN Cc1ncc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000602957407 479650934 /nfs/dbraw/zinc/65/09/34/479650934.db2.gz SPDYDTZNTLMTGU-JTQLQIEISA-N 0 1 346.412 2.600 20 5 EFBDMN COc1cc(NCCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000590568762 479661397 /nfs/dbraw/zinc/66/13/97/479661397.db2.gz BVXZKZJVUGXSHS-KBPBESRZSA-N 0 1 337.420 2.823 20 5 EFBDMN CN(C)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccsc1 ZINC000590571646 479661448 /nfs/dbraw/zinc/66/14/48/479661448.db2.gz UNHYKNODAJAGLB-LLVKDONJSA-N 0 1 326.809 2.841 20 5 EFBDMN CCOC1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000590623447 479671384 /nfs/dbraw/zinc/67/13/84/479671384.db2.gz SUEBCBNXGKNWJP-UHFFFAOYSA-N 0 1 344.371 2.626 20 5 EFBDMN Nc1c(C(=O)Nc2ccccc2Nc2ccncc2)cccc1[N+](=O)[O-] ZINC000619582009 479835382 /nfs/dbraw/zinc/83/53/82/479835382.db2.gz UHMRZXAEEVZSPU-UHFFFAOYSA-N 0 1 349.350 2.990 20 5 EFBDMN Cn1nc(CNCCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000609466642 480164272 /nfs/dbraw/zinc/16/42/72/480164272.db2.gz XZGZTSXCSOKWIX-UHFFFAOYSA-N 0 1 326.356 2.650 20 5 EFBDMN COc1ccc2c(c1)CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000614032288 480170946 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ZINC001234876639 1313201667 /nfs/dbraw/zinc/20/16/67/1313201667.db2.gz ICMQQFJHSCIPOZ-VIFPVBQESA-N 0 1 331.166 2.536 20 5 EFBDMN COc1ccc(CN(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000776270261 1297323271 /nfs/dbraw/zinc/32/32/71/1297323271.db2.gz BHASTNKTBGOKIX-KRWDZBQOSA-N 0 1 346.383 2.777 20 5 EFBDMN C[C@@H]1C[C@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903949367 1313473003 /nfs/dbraw/zinc/47/30/03/1313473003.db2.gz MCRPTQLXPMVWOT-LMOYCYGVSA-N 0 1 336.388 2.793 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)CCN2CCCCC2)c1F ZINC000855034164 1300770804 /nfs/dbraw/zinc/77/08/04/1300770804.db2.gz VCGZJKHNHLVNIN-UHFFFAOYSA-N 0 1 341.358 2.739 20 5 EFBDMN CCc1[nH]nc(C(=O)N(OC)[C@@H](C)c2ccccc2OC)c1[N+](=O)[O-] ZINC000855130660 1300808143 /nfs/dbraw/zinc/80/81/43/1300808143.db2.gz RYRSPSXXHVWHOF-JTQLQIEISA-N 0 1 348.359 2.654 20 5 EFBDMN C[C@@H](O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000795387828 1300930240 /nfs/dbraw/zinc/93/02/40/1300930240.db2.gz MJXVOOUNKWMYGK-SECBINFHSA-N 0 1 340.332 2.588 20 5 EFBDMN C[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000795430999 1301339356 /nfs/dbraw/zinc/33/93/56/1301339356.db2.gz MGQQGQOTDPJYFQ-SUMWQHHRSA-N 0 1 328.368 2.911 20 5 EFBDMN C[C@@H](CN(C)Cc1cc(O)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860098155 1301701076 /nfs/dbraw/zinc/70/10/76/1301701076.db2.gz ZCTNTBNJWNPEOH-NSHDSACASA-N 0 1 339.392 2.645 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Cl)n[nH]1 ZINC000860484944 1301823260 /nfs/dbraw/zinc/82/32/60/1301823260.db2.gz BACLYURWTIEXIG-MRVPVSSYSA-N 0 1 337.767 2.981 20 5 EFBDMN CCC1(Nc2ccccc2[N+](=O)[O-])CCN(C(=O)c2ccn[nH]2)CC1 ZINC001066818596 1302246468 /nfs/dbraw/zinc/24/64/68/1302246468.db2.gz LMUUIURFTBHSLE-UHFFFAOYSA-N 0 1 343.387 2.815 20 5 EFBDMN CC(=O)CCCCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000862073263 1302277045 /nfs/dbraw/zinc/27/70/45/1302277045.db2.gz KFNJPMUMAZFQDR-UHFFFAOYSA-N 0 1 332.360 2.740 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCC(Nc3ccc4nn[nH]c4c3)CC2)cc1 ZINC000777235865 1302319930 /nfs/dbraw/zinc/31/99/30/1302319930.db2.gz MWYKYKHBJQRGMJ-UHFFFAOYSA-N 0 1 338.371 2.947 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCC(Nc3ccc4n[nH]nc4c3)CC2)cc1 ZINC000777235865 1302319939 /nfs/dbraw/zinc/31/99/39/1302319939.db2.gz MWYKYKHBJQRGMJ-UHFFFAOYSA-N 0 1 338.371 2.947 20 5 EFBDMN C[C@@H]1CN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@H]2CCCC[C@H]12 ZINC000794641319 1302846178 /nfs/dbraw/zinc/84/61/78/1302846178.db2.gz WCTYQBGDEQBAQK-UPJWGTAASA-N 0 1 331.372 2.971 20 5 EFBDMN C[C@H](CN1CCN(C)CC1)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000865525267 1303295218 /nfs/dbraw/zinc/29/52/18/1303295218.db2.gz VQUXBJFCITVCCG-SNVBAGLBSA-N 0 1 347.246 2.949 20 5 EFBDMN C[C@@H](CN1CCN(C)CC1)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000865525266 1303295289 /nfs/dbraw/zinc/29/52/89/1303295289.db2.gz VQUXBJFCITVCCG-JTQLQIEISA-N 0 1 347.246 2.949 20 5 EFBDMN C[C@@](N)(C(=O)NCCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867944334 1304032866 /nfs/dbraw/zinc/03/28/66/1304032866.db2.gz SIFITSDNPCIMIH-IBGZPJMESA-N 0 1 341.411 2.908 20 5 EFBDMN C[C@](N)(C(=O)NCCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867944335 1304032958 /nfs/dbraw/zinc/03/29/58/1304032958.db2.gz SIFITSDNPCIMIH-LJQANCHMSA-N 0 1 341.411 2.908 20 5 EFBDMN CC[C@@H](Cc1ccccc1)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867945741 1304034241 /nfs/dbraw/zinc/03/42/41/1304034241.db2.gz HVZRAHJPOHPMLS-QFBILLFUSA-N 0 1 341.411 2.906 20 5 EFBDMN CC[C@H](Cc1ccccc1)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867945742 1304034409 /nfs/dbraw/zinc/03/44/09/1304034409.db2.gz HVZRAHJPOHPMLS-VQIMIIECSA-N 0 1 341.411 2.906 20 5 EFBDMN C[C@](N)(C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867947884 1304035162 /nfs/dbraw/zinc/03/51/62/1304035162.db2.gz MGMMTIMQYIWHLZ-POZUXBRTSA-N 0 1 339.395 2.516 20 5 EFBDMN C[C@H](Cc1ccsc1)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867948255 1304036463 /nfs/dbraw/zinc/03/64/63/1304036463.db2.gz QYOKPRJWHIGGPC-BDJLRTHQSA-N 0 1 333.413 2.578 20 5 EFBDMN C[C@](N)(C(=O)N[C@H]1C[C@@H]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867948532 1304036584 /nfs/dbraw/zinc/03/65/84/1304036584.db2.gz YGKSOJFJKDHZHL-SOLBZPMBSA-N 0 1 331.416 2.854 20 5 EFBDMN CCc1ccc(CNC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)s1 ZINC000867950893 1304038336 /nfs/dbraw/zinc/03/83/36/1304038336.db2.gz IAPGBJZIKXJDFF-INIZCTEOSA-N 0 1 333.413 2.709 20 5 EFBDMN C[C@](N)(C(=O)NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867952716 1304040903 /nfs/dbraw/zinc/04/09/03/1304040903.db2.gz DNBWQPOBQZWUEZ-GOSISDBHSA-N 0 1 327.384 2.518 20 5 EFBDMN Cc1cc(F)ccc1CCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867956708 1304043746 /nfs/dbraw/zinc/04/37/46/1304043746.db2.gz SDWAAVQNZADXGP-GOSISDBHSA-N 0 1 345.374 2.575 20 5 EFBDMN Cc1ccc([C@@H]2C[C@H]2NC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)cc1 ZINC000867981167 1304056188 /nfs/dbraw/zinc/05/61/88/1304056188.db2.gz IUOIXDKDPVEMTG-YQVWRLOYSA-N 0 1 339.395 2.749 20 5 EFBDMN C[C@](N)(C(=O)NC[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867981402 1304057517 /nfs/dbraw/zinc/05/75/17/1304057517.db2.gz PAZZRVLPVLJJIS-UCLAIMLFSA-N 0 1 339.395 2.689 20 5 EFBDMN C[C@@](N)(C(=O)NC1CC(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870912721 1305678845 /nfs/dbraw/zinc/67/88/45/1305678845.db2.gz KJWUBQJTHPJOMA-KJXMEXGPSA-N 0 1 339.395 2.831 20 5 EFBDMN Cc1c(CN2CCCC[C@@H]2COC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000796550739 1306253898 /nfs/dbraw/zinc/25/38/98/1306253898.db2.gz FPKAUZGZRXSLRZ-OAHLLOKOSA-N 0 1 335.404 2.956 20 5 EFBDMN COc1ccc(Nc2nc[nH]c(=O)c2Br)c([N+](=O)[O-])c1 ZINC001248466123 1314936940 /nfs/dbraw/zinc/93/69/40/1314936940.db2.gz LDOMPBOWYYONNB-UHFFFAOYSA-N 0 1 341.121 2.605 20 5 EFBDMN CC1(NC(=O)c2ccc[nH]2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045363040 1307279012 /nfs/dbraw/zinc/27/90/12/1307279012.db2.gz AHMALNBBDHDYQO-UHFFFAOYSA-N 0 1 342.399 2.707 20 5 EFBDMN Nc1cc2nc3ccccc3n(-c3ccc4nc[nH]c4c3)c-2cc1=O ZINC001209851638 1314249504 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327.300 2.633 20 5 EFBDMN CCS(=O)(=O)c1ccc(O)c(Nc2cccc([N+](=O)[O-])c2F)c1 ZINC001210380269 1314324007 /nfs/dbraw/zinc/32/40/07/1314324007.db2.gz REOBSKUOBOOXKB-UHFFFAOYSA-N 0 1 340.332 2.977 20 5 EFBDMN O=C(c1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1)N1CCOCC1 ZINC001210394774 1314325373 /nfs/dbraw/zinc/32/53/73/1314325373.db2.gz GKUSZGBHUWXRNR-UHFFFAOYSA-N 0 1 343.339 2.516 20 5 EFBDMN COC(=O)c1cc(OC)c(OC)cc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210395485 1314325409 /nfs/dbraw/zinc/32/54/09/1314325409.db2.gz YBGZQXODAQMARL-UHFFFAOYSA-N 0 1 348.311 2.848 20 5 EFBDMN COc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)ccc1N1CCOCC1 ZINC001210397826 1314325996 /nfs/dbraw/zinc/32/59/96/1314325996.db2.gz JRICKTNMPMKDSH-UHFFFAOYSA-N 0 1 345.355 2.889 20 5 EFBDMN COC(=O)[C@@H]1Cc2cccc(Nc3ccc(O)c([N+](=O)[O-])c3)c2C1 ZINC001210397652 1314326016 /nfs/dbraw/zinc/32/60/16/1314326016.db2.gz FRSVHMDSTSXOPS-LLVKDONJSA-N 0 1 328.324 2.932 20 5 EFBDMN COC(=O)c1c(F)ccc(Nc2ccc(O)c([N+](=O)[O-])c2)c1OC ZINC001210397508 1314326047 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O=[N+]([O-])c1c(NCc2n[nH]c(-c3ccccc3)n2)nc2ccccn21 ZINC000750607674 1311082159 /nfs/dbraw/zinc/08/21/59/1311082159.db2.gz CSEJNEYLSQWDOK-UHFFFAOYSA-N 0 1 335.327 2.640 20 5 EFBDMN O=[N+]([O-])c1c(NCc2nc(-c3ccccc3)n[nH]2)nc2ccccn21 ZINC000750607674 1311082162 /nfs/dbraw/zinc/08/21/62/1311082162.db2.gz CSEJNEYLSQWDOK-UHFFFAOYSA-N 0 1 335.327 2.640 20 5 EFBDMN CC(C)(F)C(=O)NCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222252568 1311105401 /nfs/dbraw/zinc/10/54/01/1311105401.db2.gz LUPWHGFLZVSTCR-UHFFFAOYSA-N 0 1 337.395 2.671 20 5 EFBDMN CC(C)CC(=O)NCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222269556 1311107917 /nfs/dbraw/zinc/10/79/17/1311107917.db2.gz JZSRVOAGFSFOLE-UHFFFAOYSA-N 0 1 333.432 2.969 20 5 EFBDMN O=C(/C=C/C1CC1)NCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222741176 1311178698 /nfs/dbraw/zinc/17/86/98/1311178698.db2.gz MLEUHHXVWMOLSL-BQYQJAHWSA-N 0 1 343.427 2.889 20 5 EFBDMN O=C(CCCF)NCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001224105841 1311342438 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EFBDMN O=C(N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1)c1cccc(F)c1 ZINC001019951522 1314548000 /nfs/dbraw/zinc/54/80/00/1314548000.db2.gz XMPIRKUTJWICOW-HDJSIYSDSA-N 0 1 349.387 2.846 20 5 EFBDMN CC[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000119723705 1314693211 /nfs/dbraw/zinc/69/32/11/1314693211.db2.gz GIZFZHJZZMQEJM-SECBINFHSA-N 0 1 347.443 2.851 20 5 EFBDMN COc1nc(C)ccc1-c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC001216925278 1315022602 /nfs/dbraw/zinc/02/26/02/1315022602.db2.gz NLDIZPHMLKAANT-UHFFFAOYSA-N 0 1 328.284 2.729 20 5 EFBDMN O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@@H]1CCCC[NH2+]C1 ZINC001217973133 1315127830 /nfs/dbraw/zinc/12/78/30/1315127830.db2.gz CKOHJTHIAIDKJX-SECBINFHSA-N 0 1 331.166 2.584 20 5 EFBDMN O=[N+]([O-])c1cc2[n-]c(O[C@H]3C[NH2+]CCC[C@H]3F)nc2cc1Cl ZINC001217981117 1315129221 /nfs/dbraw/zinc/12/92/21/1315129221.db2.gz OLCITZHKTLFKBW-PELKAZGASA-N 0 1 328.731 2.593 20 5 EFBDMN O=[N+]([O-])c1cc2nc(O[C@H]3C[NH2+]CCC[C@H]3F)[n-]c2cc1Cl ZINC001217981117 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EFBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC(CNC(=O)OC(C)(C)C)C1 ZINC001254553476 1315722899 /nfs/dbraw/zinc/72/28/99/1315722899.db2.gz VQPVPQSWRWAHNV-CYBMUJFWSA-N 0 1 349.431 2.982 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1nccn1CC(F)(F)F)C2 ZINC001254583767 1315727382 /nfs/dbraw/zinc/72/73/82/1315727382.db2.gz DEDRDTYYSGGCQZ-GFCCVEGCSA-N 0 1 340.305 2.611 20 5 EFBDMN Cc1cccc(N2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254596076 1315729058 /nfs/dbraw/zinc/72/90/58/1315729058.db2.gz BQGRJAYFQJZDGE-GOSISDBHSA-N 0 1 338.411 2.588 20 5 EFBDMN O=C([C@@H]1CCCCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001254599954 1315729550 /nfs/dbraw/zinc/72/95/50/1315729550.db2.gz NEXUDBWLVWFHPI-MSOLQXFVSA-N 0 1 343.427 2.539 20 5 EFBDMN COC(=O)c1ccc2c(c1)CN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254609609 1315730954 /nfs/dbraw/zinc/73/09/54/1315730954.db2.gz YCMKEVBGCIVBDO-SFHVURJKSA-N 0 1 338.363 2.864 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(NCC2CCN(C(=O)c3ccn[nH]3)CC2)c1 ZINC001057475638 1315785214 /nfs/dbraw/zinc/78/52/14/1315785214.db2.gz GOBFXKPSJXHFQV-UHFFFAOYSA-N 0 1 343.387 2.591 20 5 EFBDMN CN1CCN(c2cc(-c3nnc(C4CCC4)o3)cc([N+](=O)[O-])c2)CC1 ZINC001255257347 1315797053 /nfs/dbraw/zinc/79/70/53/1315797053.db2.gz KAJKUOFRBCAVED-UHFFFAOYSA-N 0 1 343.387 2.664 20 5 EFBDMN Cc1cncc([N+](=O)[O-])c1NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC001261439679 1316412230 /nfs/dbraw/zinc/41/22/30/1316412230.db2.gz SKCSXHJAYPXVBS-AWEZNQCLSA-N 0 1 341.415 2.753 20 5 EFBDMN C[C@@H](CC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])C1CC1 ZINC001262812073 1316493347 /nfs/dbraw/zinc/49/33/47/1316493347.db2.gz JSXNWTFNGMZLLB-ZDUSSCGKSA-N 0 1 346.431 2.721 20 5 EFBDMN CCOc1ccc2c(c1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC001320367262 1329116439 /nfs/dbraw/zinc/11/64/39/1329116439.db2.gz OKPSKVQCEZMLOV-UHFFFAOYSA-N 0 1 342.351 2.898 20 5 EFBDMN CSc1cccc(C(=O)N2CCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001320452875 1329134907 /nfs/dbraw/zinc/13/49/07/1329134907.db2.gz DSYXLXRQOANNGB-UHFFFAOYSA-N 0 1 337.445 2.873 20 5 EFBDMN CN1CCN(c2ccccc2C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001322405049 1329456344 /nfs/dbraw/zinc/45/63/44/1329456344.db2.gz UTFQXJZFEAWXMH-UHFFFAOYSA-N 0 1 340.383 2.599 20 5 EFBDMN Cc1cc(F)cc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC001324494458 1329632943 /nfs/dbraw/zinc/63/29/43/1329632943.db2.gz HQUJIMMMBLLYBI-NSHDSACASA-N 0 1 335.379 2.599 20 5 EFBDMN COc1ccc(OC(=O)c2ccc3cncn3c2C)cc1[N+](=O)[O-] ZINC001324548404 1329638065 /nfs/dbraw/zinc/63/80/65/1329638065.db2.gz PSVQHVHUGPPAIB-UHFFFAOYSA-N 0 1 327.296 2.779 20 5 EFBDMN Cc1nn(CN2CCN([C@@H](C)c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC001331051840 1330788464 /nfs/dbraw/zinc/78/84/64/1330788464.db2.gz WSFOCNMGVSGKOY-HNNXBMFYSA-N 0 1 343.431 2.744 20 5 EFBDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333099313 1331077876 /nfs/dbraw/zinc/07/78/76/1331077876.db2.gz FJHOVABRCOZCDD-APPDUMDISA-N 0 1 340.383 2.569 20 5 EFBDMN O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCN(CCCCO)CC1 ZINC001336661437 1331489567 /nfs/dbraw/zinc/48/95/67/1331489567.db2.gz UXYRMIZLKXCKAU-UHFFFAOYSA-N 0 1 347.337 2.508 20 5 EFBDMN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC001336721454 1331496108 /nfs/dbraw/zinc/49/61/08/1331496108.db2.gz HSJLKAQTNGIPJV-SJCJKPOMSA-N 0 1 340.383 2.866 20 5 EFBDMN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC001336721461 1331496170 /nfs/dbraw/zinc/49/61/70/1331496170.db2.gz HSJLKAQTNGIPJV-YVEFUNNKSA-N 0 1 340.383 2.866 20 5 EFBDMN Cc1cc(C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])co1 ZINC001337580832 1331586161 /nfs/dbraw/zinc/58/61/61/1331586161.db2.gz SMYLLSSLMKWCOK-UHFFFAOYSA-N 0 1 344.371 2.500 20 5 EFBDMN CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001339066049 1331782062 /nfs/dbraw/zinc/78/20/62/1331782062.db2.gz OABPJEYPXODFAW-ZIAGYGMSSA-N 0 1 348.447 2.967 20 5 EFBDMN O=[N+]([O-])CCN(Cc1cccc(Br)c1)C1CCOCC1 ZINC001341300303 1332250128 /nfs/dbraw/zinc/25/01/28/1332250128.db2.gz OHXGDTYBFZZBQD-UHFFFAOYSA-N 0 1 343.221 2.707 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2cncn2c1C ZINC001342196655 1332316071 /nfs/dbraw/zinc/31/60/71/1332316071.db2.gz ZYVOMMKHIBMFJL-UHFFFAOYSA-N 0 1 326.312 2.812 20 5 EFBDMN COc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c([N+](=O)[O-])c1 ZINC001344470600 1332456173 /nfs/dbraw/zinc/45/61/73/1332456173.db2.gz BNMXQSGVOGKAOF-GFCCVEGCSA-N 0 1 331.332 2.526 20 5 EFBDMN O=C(OCc1ccc2[nH]nnc2c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001346026192 1332593070 /nfs/dbraw/zinc/59/30/70/1332593070.db2.gz HNVZIXIWZJEZMS-UHFFFAOYSA-N 0 1 337.295 2.704 20 5 EFBDMN O=C(OCc1ccc2nn[nH]c2c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001346026192 1332593073 /nfs/dbraw/zinc/59/30/73/1332593073.db2.gz HNVZIXIWZJEZMS-UHFFFAOYSA-N 0 1 337.295 2.704 20 5 EFBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(-c2ccc(F)cc2Br)o1 ZINC001346664558 1332670091 /nfs/dbraw/zinc/67/00/91/1332670091.db2.gz YXVQUYRQUQYXHJ-VXNVDRBHSA-N 0 1 328.097 2.771 20 5 EFBDMN COc1cccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC001347822986 1332775918 /nfs/dbraw/zinc/77/59/18/1332775918.db2.gz XWXOISRHMBXIMP-LBPRGKRZSA-N 0 1 343.387 2.983 20 5 EFBDMN COc1cccc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1[N+](=O)[O-] ZINC001347822986 1332775921 /nfs/dbraw/zinc/77/59/21/1332775921.db2.gz XWXOISRHMBXIMP-LBPRGKRZSA-N 0 1 343.387 2.983 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCn3c(Cl)ccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000848091533 1334279770 /nfs/dbraw/zinc/27/97/70/1334279770.db2.gz XLMMAEOFKZXFAO-QMMMGPOBSA-N 0 1 337.767 2.552 20 5 EFBDMN O=C(CC1CCC1)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002504924 1334306344 /nfs/dbraw/zinc/30/63/44/1334306344.db2.gz OBWAKRLFIBAUBI-UHFFFAOYSA-N 0 1 331.416 2.866 20 5 EFBDMN CCC(C)(C)N1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000848300619 1334598860 /nfs/dbraw/zinc/59/88/60/1334598860.db2.gz RCMRBPJHLAEHAX-UHFFFAOYSA-N 0 1 337.395 2.989 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](N3CCOCC3)CC2)c(Cl)c1 ZINC000848793549 1334901766 /nfs/dbraw/zinc/90/17/66/1334901766.db2.gz LTEREOATVMJNTA-CYBMUJFWSA-N 0 1 339.823 2.939 20 5 EFBDMN C[C@@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001356510015 1335046204 /nfs/dbraw/zinc/04/62/04/1335046204.db2.gz AHBFRZBUSUDFBG-QMTHXVAHSA-N 0 1 346.353 2.660 20 5 EFBDMN Cc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737341254 1429046659 /nfs/dbraw/zinc/04/66/59/1429046659.db2.gz DVLGDDFYPPAAKP-UHFFFAOYSA-N 0 1 342.334 2.512 20 5 EFBDMN O=[N+]([O-])c1ccccc1C[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826500175 1425115298 /nfs/dbraw/zinc/11/52/98/1425115298.db2.gz NPSKWGQKOOWMKU-UHFFFAOYSA-N 0 1 336.355 2.554 20 5 EFBDMN CC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)o1)c1cccc([N+](=O)[O-])c1 ZINC000820926156 1427412527 /nfs/dbraw/zinc/41/25/27/1427412527.db2.gz PPRRBWAJQMSLGK-CYBMUJFWSA-N 0 1 328.332 2.609 20 5 EFBDMN C[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1F)c1ccccc1[N+](=O)[O-] ZINC000824619661 1441800875 /nfs/dbraw/zinc/80/08/75/1441800875.db2.gz YJDXCGMISHNBBV-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN CC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)o1)c1cccc([N+](=O)[O-])c1 ZINC000820926157 1444029638 /nfs/dbraw/zinc/02/96/38/1444029638.db2.gz PPRRBWAJQMSLGK-ZDUSSCGKSA-N 0 1 328.332 2.609 20 5 EFBDMN C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824611751 1446960978 /nfs/dbraw/zinc/96/09/78/1446960978.db2.gz DLJCMTUQPXYCMC-SNVBAGLBSA-N 0 1 342.334 2.765 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000032585536 713263421 /nfs/dbraw/zinc/26/34/21/713263421.db2.gz MGICWHCTHNPSKB-UHFFFAOYSA-N 0 1 337.313 2.612 20 5 EFBDMN Cc1nc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n[nH]1 ZINC000840648436 713411857 /nfs/dbraw/zinc/41/18/57/713411857.db2.gz JMXNSOFXTRCZBD-VIFPVBQESA-N 0 1 334.332 2.727 20 5 EFBDMN Cc1cc(C(=O)N[C@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C2)co1 ZINC001022009928 714645881 /nfs/dbraw/zinc/64/58/81/714645881.db2.gz QUUNBJMEFJLUSO-BETUJISGSA-N 0 1 335.385 2.608 20 5 EFBDMN COCc1ccc(CNCc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC000892501542 717993455 /nfs/dbraw/zinc/99/34/55/717993455.db2.gz CAPVTHPQFSJVRT-UHFFFAOYSA-N 0 1 332.356 2.745 20 5 EFBDMN COc1ccc(C[C@](C)(CO)NCc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000933426045 714774084 /nfs/dbraw/zinc/77/40/84/714774084.db2.gz TUOHGZQJXIGVNF-GOSISDBHSA-N 0 1 348.374 2.826 20 5 EFBDMN CCN(C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])C(C)C ZINC000934044757 715180552 /nfs/dbraw/zinc/18/05/52/715180552.db2.gz YRZAEBHMFVTFPQ-UHFFFAOYSA-N 0 1 349.435 2.609 20 5 EFBDMN COC(=O)C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000934033464 715181809 /nfs/dbraw/zinc/18/18/09/715181809.db2.gz IVEWNWFBMHNBRU-CYBMUJFWSA-N 0 1 330.331 2.940 20 5 EFBDMN CC(C)(C(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)C1CC1 ZINC001022567793 715218170 /nfs/dbraw/zinc/21/81/70/715218170.db2.gz DGBWTQCRDOJQHK-BETUJISGSA-N 0 1 337.445 2.829 20 5 EFBDMN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000934166450 715237097 /nfs/dbraw/zinc/23/70/97/715237097.db2.gz RBKVJRHPHDTQOW-RGCMKSIDSA-N 0 1 335.404 2.788 20 5 EFBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000934574378 715685439 /nfs/dbraw/zinc/68/54/39/715685439.db2.gz GIHRQOHATVUPAF-YGRLFVJLSA-N 0 1 335.429 2.529 20 5 EFBDMN Cc1ccc2nc(CNC(=O)c3cc(C)cc([N+](=O)[O-])c3N)[nH]c2c1 ZINC000177011082 717342242 /nfs/dbraw/zinc/34/22/42/717342242.db2.gz BXRGLLBIQCMMOY-UHFFFAOYSA-N 0 1 339.355 2.600 20 5 EFBDMN Cc1noc(C)c1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072514550 718571011 /nfs/dbraw/zinc/57/10/11/718571011.db2.gz NKTXVWCCMCAHMD-UHFFFAOYSA-N 0 1 332.360 2.660 20 5 EFBDMN O=C(C1CCC1)N1CC2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981571938 718818543 /nfs/dbraw/zinc/81/85/43/718818543.db2.gz JFZRAAYDLHMDIL-UHFFFAOYSA-N 0 1 343.427 2.819 20 5 EFBDMN C[C@@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@H](C)CN1C ZINC001164632203 719178443 /nfs/dbraw/zinc/17/84/43/719178443.db2.gz DIGYNTYYYFHPJE-NXEZZACHSA-N 0 1 335.795 2.720 20 5 EFBDMN C[C@@H]1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)[C@@H](C)CN1C ZINC001164637256 719248290 /nfs/dbraw/zinc/24/82/90/719248290.db2.gz VDMRFWOLLYVWNV-NEPJUHHUSA-N 0 1 345.378 2.720 20 5 EFBDMN Cc1occc1C(=O)N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001019976902 719413504 /nfs/dbraw/zinc/41/35/04/719413504.db2.gz ZVFIONUKCLGKRM-HAQNSBGRSA-N 0 1 335.385 2.608 20 5 EFBDMN O=C(N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1)c1ccsc1 ZINC001019973572 719419017 /nfs/dbraw/zinc/41/90/17/719419017.db2.gz GPVQXMMCLVSWLC-HAQNSBGRSA-N 0 1 337.426 2.768 20 5 EFBDMN Cc1cnc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164727284 720334988 /nfs/dbraw/zinc/33/49/88/720334988.db2.gz SQISWBFUSFNCMJ-HZPDHXFCSA-N 0 1 339.399 2.546 20 5 EFBDMN Cc1ccnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164722183 720352819 /nfs/dbraw/zinc/35/28/19/720352819.db2.gz FHJGIQXULLMWOO-JKSUJKDBSA-N 0 1 339.399 2.546 20 5 EFBDMN COc1c(O)ccc(CN2CCC[C@H](CSC)C2)c1[N+](=O)[O-] ZINC000894599147 722794254 /nfs/dbraw/zinc/79/42/54/722794254.db2.gz PMXOGDPPDGHATB-NSHDSACASA-N 0 1 326.418 2.884 20 5 EFBDMN CC(C)(C)N1CC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000896956540 723913032 /nfs/dbraw/zinc/91/30/32/723913032.db2.gz ONZLYDINGONPTC-ZDUSSCGKSA-N 0 1 325.796 2.737 20 5 EFBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000895247490 723941728 /nfs/dbraw/zinc/94/17/28/723941728.db2.gz UTKKGZDNQNLYDM-HZMBPMFUSA-N 0 1 346.353 2.660 20 5 EFBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CN(C)CCN1C ZINC000895247490 723941738 /nfs/dbraw/zinc/94/17/38/723941738.db2.gz UTKKGZDNQNLYDM-HZMBPMFUSA-N 0 1 346.353 2.660 20 5 EFBDMN CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000897139258 724049286 /nfs/dbraw/zinc/04/92/86/724049286.db2.gz JOYLDXZJGCGEJK-MRXNPFEDSA-N 0 1 331.416 2.959 20 5 EFBDMN CC(C)(C)N1CC[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000897139258 724049289 /nfs/dbraw/zinc/04/92/89/724049289.db2.gz JOYLDXZJGCGEJK-MRXNPFEDSA-N 0 1 331.416 2.959 20 5 EFBDMN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 ZINC000007553095 724107833 /nfs/dbraw/zinc/10/78/33/724107833.db2.gz JGHZDVNTTMQUSZ-AWEZNQCLSA-N 0 1 349.412 2.587 20 5 EFBDMN Cc1cn(CN2CCC[C@H]2C(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728707191 724142136 /nfs/dbraw/zinc/14/21/36/724142136.db2.gz LFBDCYXCCDBNGF-HNNXBMFYSA-N 0 1 344.415 2.934 20 5 EFBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897262072 724145560 /nfs/dbraw/zinc/14/55/60/724145560.db2.gz UFJHYVCNUKXGJH-WMHVBEDNSA-N 0 1 332.400 2.614 20 5 EFBDMN COc1c(O)ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000895690417 724256530 /nfs/dbraw/zinc/25/65/30/724256530.db2.gz CYHVBXLDSGJMST-PBHICJAKSA-N 0 1 344.367 2.929 20 5 EFBDMN CCO/C=C/[C@](O)(CNCc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000895707720 724267150 /nfs/dbraw/zinc/26/71/50/724267150.db2.gz MPNYELFYVFEUOG-UZYOAWRESA-N 0 1 348.321 2.836 20 5 EFBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H](CO)C[C@@H]1CCCO1 ZINC000895747440 724293582 /nfs/dbraw/zinc/29/35/82/724293582.db2.gz HYOCWMNJKCLWLM-RYUDHWBXSA-N 0 1 349.214 2.921 20 5 EFBDMN COc1ccc(COC(=O)[C@H](C(C)C)N2CCCC2)cc1[N+](=O)[O-] ZINC000741013399 725586242 /nfs/dbraw/zinc/58/62/42/725586242.db2.gz JRNWIIYZVOVEOZ-INIZCTEOSA-N 0 1 336.388 2.767 20 5 EFBDMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000263568991 725929675 /nfs/dbraw/zinc/92/96/75/725929675.db2.gz YYJLXMGJCFXRTO-UHFFFAOYSA-N 0 1 327.768 2.598 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(F)nc1 ZINC000152791801 726261694 /nfs/dbraw/zinc/26/16/94/726261694.db2.gz JBNDOKNYWZBCAV-UHFFFAOYSA-N 0 1 325.321 2.547 20 5 EFBDMN CC(C)[N@@H+](C)CC1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000910344883 727432779 /nfs/dbraw/zinc/43/27/79/727432779.db2.gz MCYNCGDYNAGAMA-UHFFFAOYSA-N 0 1 349.431 2.779 20 5 EFBDMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000910346690 727432877 /nfs/dbraw/zinc/43/28/77/727432877.db2.gz SUAHSWSUSWWDKO-STQMWFEESA-N 0 1 335.404 2.754 20 5 EFBDMN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CCN1C1CCCC1 ZINC000911474136 727543592 /nfs/dbraw/zinc/54/35/92/727543592.db2.gz VNZNRTKWWCCEMO-AWEZNQCLSA-N 0 1 339.342 2.506 20 5 EFBDMN COCC(=O)Nc1cccc(CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000917134606 727775385 /nfs/dbraw/zinc/77/53/85/727775385.db2.gz CGRJNQLAYABQBO-UHFFFAOYSA-N 0 1 343.383 2.778 20 5 EFBDMN O=C(Nc1ccc2nc[nH]c2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000170260227 728436365 /nfs/dbraw/zinc/43/63/65/728436365.db2.gz VBYOEHCJDDGXJS-UHFFFAOYSA-N 0 1 327.256 2.632 20 5 EFBDMN O=[N+]([O-])c1ccc(NCCN2CCc3sccc3C2)c2nonc21 ZINC000919723712 729075313 /nfs/dbraw/zinc/07/53/13/729075313.db2.gz VEYOEXXTCIBWLN-UHFFFAOYSA-N 0 1 345.384 2.663 20 5 EFBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC000079486982 949003842 /nfs/dbraw/zinc/00/38/42/949003842.db2.gz AFTFODBEURICPG-CYBMUJFWSA-N 0 1 343.177 2.796 20 5 EFBDMN O=C([O-])[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001594843488 954104998 /nfs/dbraw/zinc/10/49/98/954104998.db2.gz LZIVTHKEYMEEGZ-AWEZNQCLSA-N 0 1 349.274 2.558 20 5 EFBDMN O=C([O-])C[N@@H+](CCc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000738607349 978572735 /nfs/dbraw/zinc/57/27/35/978572735.db2.gz KXFWVZRLKNKUEX-UHFFFAOYSA-N 0 1 332.331 2.863 20 5 EFBDMN CCC[N@H+]1CC[C@@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844208398 979357693 /nfs/dbraw/zinc/35/76/93/979357693.db2.gz QXBBTAXXUYMXFW-YVZNUBBCSA-N 0 1 333.388 2.836 20 5 EFBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1CC(=O)[O-] ZINC000846261715 979431318 /nfs/dbraw/zinc/43/13/18/979431318.db2.gz MITHIRMDHBRFMV-UHFFFAOYSA-N 0 1 328.368 2.896 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000901676003 980438868 /nfs/dbraw/zinc/43/88/68/980438868.db2.gz BXEOEBARYYNFRC-AWEZNQCLSA-N 0 1 336.388 2.667 20 5 EFBDMN O=C([O-])CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCO1 ZINC000901677410 980440175 /nfs/dbraw/zinc/44/01/75/980440175.db2.gz KWDIYLULNMHJBU-CYBMUJFWSA-N 0 1 342.779 2.704 20 5 EFBDMN O=C([O-])CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCO1 ZINC000901677410 980440178 /nfs/dbraw/zinc/44/01/78/980440178.db2.gz KWDIYLULNMHJBU-CYBMUJFWSA-N 0 1 342.779 2.704 20 5 EFBDMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901785089 980514919 /nfs/dbraw/zinc/51/49/19/980514919.db2.gz CIMDLCYCOPHVCZ-KQIUPUNMSA-N 0 1 344.289 2.947 20 5 EFBDMN Cc1ccc([C@@H](C)[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000902394628 980868896 /nfs/dbraw/zinc/86/88/96/980868896.db2.gz ITYDXCXRKMJKDU-CQSZACIVSA-N 0 1 349.431 2.883 20 5 EFBDMN O=C([O-])c1cnc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000903928033 981046460 /nfs/dbraw/zinc/04/64/60/981046460.db2.gz OQPOFXAAVOQGAU-NSHDSACASA-N 0 1 333.369 2.739 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000903935322 981055252 /nfs/dbraw/zinc/05/52/52/981055252.db2.gz JFHWBZQMNCDUMH-HNNXBMFYSA-N 0 1 348.399 2.932 20 5 EFBDMN CC[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC001596356656 983826117 /nfs/dbraw/zinc/82/61/17/983826117.db2.gz VNARXAFHWDMHNJ-QGZVFWFLSA-N 0 1 344.367 2.849 20 5 EFBDMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC001596356656 983826125 /nfs/dbraw/zinc/82/61/25/983826125.db2.gz VNARXAFHWDMHNJ-QGZVFWFLSA-N 0 1 344.367 2.849 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001589001452 984944515 /nfs/dbraw/zinc/94/45/15/984944515.db2.gz JUFWCBVXQSHUOL-VEMDQMBVSA-N 0 1 348.399 2.952 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H](COC1CCC1)C(=O)[O-] ZINC001589001451 984944617 /nfs/dbraw/zinc/94/46/17/984944617.db2.gz JUFWCBVXQSHUOL-JZUUQJBKSA-N 0 1 348.399 2.952 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001599866774 989278764 /nfs/dbraw/zinc/27/87/64/989278764.db2.gz SFQBCXUOEYQIGS-LDYMZIIASA-N 0 1 332.278 2.766 20 5 EFBDMN CC(C)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C(=O)[O-] ZINC001591320615 992285588 /nfs/dbraw/zinc/28/55/88/992285588.db2.gz RDVHWKWWHZBRNK-HNNXBMFYSA-N 0 1 338.404 2.697 20 5 EFBDMN CC(C)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C(=O)[O-] ZINC001591320616 992285710 /nfs/dbraw/zinc/28/57/10/992285710.db2.gz RDVHWKWWHZBRNK-OAHLLOKOSA-N 0 1 338.404 2.697 20 5 EFBDMN C[N@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC001598520286 992671570 /nfs/dbraw/zinc/67/15/70/992671570.db2.gz TWMUFTQHUJZAKL-CYBMUJFWSA-N 0 1 334.372 2.846 20 5 EFBDMN CC(C)[N@H+](C)CC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001591549314 992731250 /nfs/dbraw/zinc/73/12/50/992731250.db2.gz CJDXJXQNZQZBLL-UHFFFAOYSA-N 0 1 349.431 2.845 20 5 EFBDMN CC(C)[N@@H+](C)CC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001591549314 992731256 /nfs/dbraw/zinc/73/12/56/992731256.db2.gz CJDXJXQNZQZBLL-UHFFFAOYSA-N 0 1 349.431 2.845 20 5 EFBDMN C[C@@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001593373690 995068459 /nfs/dbraw/zinc/06/84/59/995068459.db2.gz HHMKKYLFMZQOCX-VXGBXAGGSA-N 0 1 348.403 2.753 20 5 EFBDMN C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593717907 996237706 /nfs/dbraw/zinc/23/77/06/996237706.db2.gz UFRUQNLFNYQUTA-LBPRGKRZSA-N 0 1 345.355 2.646 20 5 EFBDMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593717907 996237710 /nfs/dbraw/zinc/23/77/10/996237710.db2.gz UFRUQNLFNYQUTA-LBPRGKRZSA-N 0 1 345.355 2.646 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001593718203 996239378 /nfs/dbraw/zinc/23/93/78/996239378.db2.gz ZYWOAFQRLUKTFV-UGSOOPFHSA-N 0 1 348.399 2.738 20 5 EFBDMN COc1cc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)c([N+](=O)[O-])cc1F ZINC001599404886 997279092 /nfs/dbraw/zinc/27/90/92/997279092.db2.gz DVJGHSPUFRAQEV-VIFPVBQESA-N 0 1 326.324 2.570 20 5 EFBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001594167897 998647879 /nfs/dbraw/zinc/64/78/79/998647879.db2.gz SNZUSXKFANNXDM-SCZZXKLOSA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001594167897 998647885 /nfs/dbraw/zinc/64/78/85/998647885.db2.gz SNZUSXKFANNXDM-SCZZXKLOSA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC[N@H+]1C ZINC001594245826 998940245 /nfs/dbraw/zinc/94/02/45/998940245.db2.gz OXFLNXYNGHTBFU-NXEZZACHSA-N 0 1 341.795 2.865 20 5 EFBDMN C[C@H]1CC(CNC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C[C@H](C)C1 ZINC001576589494 1089339784 /nfs/dbraw/zinc/33/97/84/1089339784.db2.gz QFKBBBLIDKULAR-VFVRVIDISA-N 0 1 333.432 2.957 20 5 EFBDMN C[C@H]1CC(CNC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C[C@H](C)C1 ZINC001576589493 1089340227 /nfs/dbraw/zinc/34/02/27/1089340227.db2.gz QFKBBBLIDKULAR-SNUQEOBHSA-N 0 1 333.432 2.957 20 5 EFBDMN COc1cc(N[C@H]2CC[C@H](c3c[nH]nn3)CC2)c([N+](=O)[O-])cc1OC ZINC001577058368 1089621172 /nfs/dbraw/zinc/62/11/72/1089621172.db2.gz VUIGEIPSYMYSNX-XYPYZODXSA-N 0 1 347.375 2.868 20 5 EFBDMN Cc1cc(CN)oc1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001579595984 1090639557 /nfs/dbraw/zinc/63/95/57/1090639557.db2.gz OQMFQDPSTGWLGA-AWEZNQCLSA-N 0 1 343.383 2.975 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCNC[C@@H]2c2ccccc2)c1C ZINC001579734342 1090674035 /nfs/dbraw/zinc/67/40/35/1090674035.db2.gz FONQXEKOSFWDHP-QGZVFWFLSA-N 0 1 339.395 2.998 20 5 EFBDMN NCc1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[nH]1 ZINC001580355769 1090877932 /nfs/dbraw/zinc/87/79/32/1090877932.db2.gz SNGSWUVTDIASAM-UHFFFAOYSA-N 0 1 345.746 2.836 20 5 EFBDMN CC(C)(C)CCn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001589127561 1093036976 /nfs/dbraw/zinc/03/69/76/1093036976.db2.gz YTYSKRHVMKVDAW-UHFFFAOYSA-N 0 1 342.359 2.526 20 5 EFBDMN C[C@H](CCSc1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001589835278 1093157131 /nfs/dbraw/zinc/15/71/31/1093157131.db2.gz QJDFBKPCWGEDPW-SNVBAGLBSA-N 0 1 345.388 2.715 20 5 EFBDMN C[C@H](NCc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1ccsc1 ZINC001589965766 1093200011 /nfs/dbraw/zinc/20/00/11/1093200011.db2.gz PXGCUGKXJZEHHY-VIFPVBQESA-N 0 1 330.373 2.687 20 5 EFBDMN CC(=O)Nc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1C ZINC000780351895 1093309197 /nfs/dbraw/zinc/30/91/97/1093309197.db2.gz LFDVLOAUUSSVSN-UHFFFAOYSA-N 0 1 329.312 2.820 20 5 EFBDMN Cc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001591868334 1093904576 /nfs/dbraw/zinc/90/45/76/1093904576.db2.gz YSTRNYNQDGVSST-GFCCVEGCSA-N 0 1 338.371 2.934 20 5 EFBDMN O=[N+]([O-])c1ccc(CNCc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC001593474879 1094320305 /nfs/dbraw/zinc/32/03/05/1094320305.db2.gz BTUNLIOFVQKSOF-UHFFFAOYSA-N 0 1 344.762 2.718 20 5 EFBDMN Cc1cc(N2CCC(c3c[nH+]cn3C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600239979 1094910243 /nfs/dbraw/zinc/91/02/43/1094910243.db2.gz KWAGTPKPNCGFRM-UHFFFAOYSA-N 0 1 344.371 2.719 20 5 EFBDMN O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@H]1CCCC[NH2+]C1 ZINC001217973134 1095181776 /nfs/dbraw/zinc/18/17/76/1095181776.db2.gz CKOHJTHIAIDKJX-VIFPVBQESA-N 0 1 331.166 2.584 20 5 EFBDMN Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600777661 1095325372 /nfs/dbraw/zinc/32/53/72/1095325372.db2.gz KYVYADDWCIWWAO-INIZCTEOSA-N 0 1 344.371 2.672 20 5 EFBDMN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600777661 1095325384 /nfs/dbraw/zinc/32/53/84/1095325384.db2.gz KYVYADDWCIWWAO-INIZCTEOSA-N 0 1 344.371 2.672 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NCCN1CCSCC1 ZINC001167835388 1095331449 /nfs/dbraw/zinc/33/14/49/1095331449.db2.gz ULHDPORFXYNPNO-UHFFFAOYSA-N 0 1 336.392 2.743 20 5 EFBDMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601757750 1095892944 /nfs/dbraw/zinc/89/29/44/1095892944.db2.gz ZHWPTZHOMKOGIN-PWZJLYFZSA-N 0 1 326.299 2.558 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC001602082380 1096050579 /nfs/dbraw/zinc/05/05/79/1096050579.db2.gz QZAXABXAMGWDRD-UONOGXRCSA-N 0 1 334.372 2.823 20 5 EFBDMN O=C([O-])[C@]12CCC[C@H]1N(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)CC2 ZINC001602222460 1096123909 /nfs/dbraw/zinc/12/39/09/1096123909.db2.gz KGXGNWUKTDWBHP-WBVHZDCISA-N 0 1 327.340 2.977 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C2CCCCCC2)n1 ZINC001602405079 1096224795 /nfs/dbraw/zinc/22/47/95/1096224795.db2.gz KMQNIGHYJAIVPS-CYBMUJFWSA-N 0 1 348.403 2.897 20 5 EFBDMN CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001603343947 1096509916 /nfs/dbraw/zinc/50/99/16/1096509916.db2.gz CLBIGTBQCCGTCU-VUDGCMKMSA-N 0 1 333.388 2.977 20 5 EFBDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001604637446 1096919135 /nfs/dbraw/zinc/91/91/35/1096919135.db2.gz SOIZJLMJVHGYON-GZMMTYOYSA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@H]1C[C@@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001604677421 1096929655 /nfs/dbraw/zinc/92/96/55/1096929655.db2.gz ROXDQICIXAUIHR-DTWKUNHWSA-N 0 1 339.779 2.984 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001605755064 1097216848 /nfs/dbraw/zinc/21/68/48/1097216848.db2.gz BTAKHPOKBRPOGI-UHFFFAOYSA-N 0 1 338.371 2.715 20 5 EFBDMN Cc1ccc([C@@H](C)NCc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])s1 ZINC001605828626 1097241470 /nfs/dbraw/zinc/24/14/70/1097241470.db2.gz WAFSQJLCRKPYPU-SNVBAGLBSA-N 0 1 344.400 2.996 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001605884701 1097265473 /nfs/dbraw/zinc/26/54/73/1097265473.db2.gz WTKHDMQPWLAGOM-VIFPVBQESA-N 0 1 343.299 2.594 20 5 EFBDMN COCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC001606890276 1097465947 /nfs/dbraw/zinc/46/59/47/1097465947.db2.gz YTZRVEGXNJDDNJ-IUODEOHRSA-N 0 1 336.388 2.930 20 5 EFBDMN C[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC001607422073 1097626431 /nfs/dbraw/zinc/62/64/31/1097626431.db2.gz HXTLYNLCUQYDRK-LLVKDONJSA-N 0 1 343.339 2.582 20 5 EFBDMN Cc1occc1C[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001608056844 1097819396 /nfs/dbraw/zinc/81/93/96/1097819396.db2.gz VYLHQKWEGPQGCP-UHFFFAOYSA-N 0 1 334.328 2.592 20 5 EFBDMN Cc1occc1C[N@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001608056844 1097819405 /nfs/dbraw/zinc/81/94/05/1097819405.db2.gz VYLHQKWEGPQGCP-UHFFFAOYSA-N 0 1 334.328 2.592 20 5 EFBDMN O=c1cc[n-]c(OC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001225664927 1098003937 /nfs/dbraw/zinc/00/39/37/1098003937.db2.gz ULZPFLGTTFNHBL-UHFFFAOYSA-N 0 1 343.383 2.781 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001608759127 1098010795 /nfs/dbraw/zinc/01/07/95/1098010795.db2.gz YCFDFEOMQGTUTR-QGZVFWFLSA-N 0 1 346.383 2.823 20 5 EFBDMN C[C@@H](NCc1ccc(-c2nn[nH]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001609124515 1098158665 /nfs/dbraw/zinc/15/86/65/1098158665.db2.gz BSTUVAUAOYUUKR-SNVBAGLBSA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001609784155 1098457356 /nfs/dbraw/zinc/45/73/56/1098457356.db2.gz ADOICKBBLVHEGC-VXGBXAGGSA-N 0 1 348.403 2.753 20 5 EFBDMN C[C@H]1CCC[N@H+](C(C)(C)CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001609858177 1098478753 /nfs/dbraw/zinc/47/87/53/1098478753.db2.gz MEXNJFGBTZLOHR-NSHDSACASA-N 0 1 336.392 2.610 20 5 EFBDMN CC[N@H+]1CC[C@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC001610010326 1098521471 /nfs/dbraw/zinc/52/14/71/1098521471.db2.gz WIHSQGUYJIXULG-DOMZBBRYSA-N 0 1 335.404 2.598 20 5 EFBDMN Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610118650 1098552268 /nfs/dbraw/zinc/55/22/68/1098552268.db2.gz XXNKNVGNSAWKET-OAHLLOKOSA-N 0 1 344.371 2.536 20 5 EFBDMN Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610118650 1098552272 /nfs/dbraw/zinc/55/22/72/1098552272.db2.gz XXNKNVGNSAWKET-OAHLLOKOSA-N 0 1 344.371 2.536 20 5 EFBDMN Cc1[nH+]c2cc(Nc3nc(C(=O)[O-])ccc3[N+](=O)[O-])ccc2n1C ZINC001610561224 1098755024 /nfs/dbraw/zinc/75/50/24/1098755024.db2.gz IWFSQORBHUHFGV-UHFFFAOYSA-N 0 1 327.300 2.627 20 5 EFBDMN Cc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000011658055 1099093645 /nfs/dbraw/zinc/09/36/45/1099093645.db2.gz SWDZDCQOCZAOOE-ZCFIWIBFSA-N 0 1 341.780 2.794 20 5 EFBDMN Cc1n[nH]c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000011658055 1099093659 /nfs/dbraw/zinc/09/36/59/1099093659.db2.gz SWDZDCQOCZAOOE-ZCFIWIBFSA-N 0 1 341.780 2.794 20 5 EFBDMN COCCOc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000894391704 1099197472 /nfs/dbraw/zinc/19/74/72/1099197472.db2.gz RKBYHFILZRWUKC-UHFFFAOYSA-N 0 1 334.372 2.888 20 5 EFBDMN Cc1nc2ccc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3N)cc2[nH]1 ZINC000729516438 1100065932 /nfs/dbraw/zinc/06/59/32/1100065932.db2.gz UFMMJEATFVNASV-UHFFFAOYSA-N 0 1 325.328 2.922 20 5 EFBDMN COC[C@]1(C)CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000840103139 1100825122 /nfs/dbraw/zinc/82/51/22/1100825122.db2.gz AZACKQKTXARKFW-QGZVFWFLSA-N 0 1 330.388 2.774 20 5 EFBDMN O=C(Cc1cccs1)Nc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840328345 1101006624 /nfs/dbraw/zinc/00/66/24/1101006624.db2.gz IJHMZTWFRUIJFE-BXUZGUMPSA-N 0 1 345.380 2.533 20 5 EFBDMN Cc1nc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000840339686 1101014110 /nfs/dbraw/zinc/01/41/10/1101014110.db2.gz AUKJKUBDUQKSTP-ZCFIWIBFSA-N 0 1 344.249 2.958 20 5 EFBDMN Cc1nc([C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)C2)n[nH]1 ZINC000840377565 1101046971 /nfs/dbraw/zinc/04/69/71/1101046971.db2.gz FDOLCOQKORVGFM-VIFPVBQESA-N 0 1 330.373 2.625 20 5 EFBDMN Cc1nnc([C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)C2)[nH]1 ZINC000840377565 1101046979 /nfs/dbraw/zinc/04/69/79/1101046979.db2.gz FDOLCOQKORVGFM-VIFPVBQESA-N 0 1 330.373 2.625 20 5 EFBDMN Cc1ncc(C(=O)N(CCN(C)c2ccc([N+](=O)[O-])cc2)C(C)C)[nH]1 ZINC001125421032 1102831717 /nfs/dbraw/zinc/83/17/17/1102831717.db2.gz GDKGWBJKPXEGKP-UHFFFAOYSA-N 0 1 345.403 2.613 20 5 EFBDMN CC(C)(C)OC(=O)N1CCCc2cc(CNCC[N+](=O)[O-])ccc21 ZINC000905274853 1103021269 /nfs/dbraw/zinc/02/12/69/1103021269.db2.gz SYUQDNOVALNZSJ-UHFFFAOYSA-N 0 1 335.404 2.741 20 5 EFBDMN CO[C@@H]1CCOC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000897891715 1106133693 /nfs/dbraw/zinc/13/36/93/1106133693.db2.gz MSJFAXMNWBGEQD-NVXWUHKLSA-N 0 1 332.356 2.748 20 5 EFBDMN C[C@](O)(CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)F ZINC000905236183 1108558983 /nfs/dbraw/zinc/55/89/83/1108558983.db2.gz DUBGFQNXEPXNIL-NSHDSACASA-N 0 1 328.237 2.719 20 5 EFBDMN CCc1cc(C(=O)N(CC)CCNc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC001106684123 1111719324 /nfs/dbraw/zinc/71/93/24/1111719324.db2.gz DWSWQULLFKYRQV-UHFFFAOYSA-N 0 1 345.403 2.763 20 5 EFBDMN Cc1noc(C)c1CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072513740 1119701383 /nfs/dbraw/zinc/70/13/83/1119701383.db2.gz MRFVHJJRCYEULY-UHFFFAOYSA-N 0 1 332.360 2.660 20 5 EFBDMN COc1ccc(OCCN(C)Cc2scnc2C)c([N+](=O)[O-])c1 ZINC000173719977 231013322 /nfs/dbraw/zinc/01/33/22/231013322.db2.gz IXWURRXJEFJKOK-UHFFFAOYSA-N 0 1 337.401 2.879 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)c1[N+](=O)[O-] ZINC000178653536 529465733 /nfs/dbraw/zinc/46/57/33/529465733.db2.gz AGUWSNLIGFBRDV-ZDUSSCGKSA-N 0 1 343.387 2.597 20 5 EFBDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2)CC(F)F)c1[N+](=O)[O-] ZINC000185761007 529466052 /nfs/dbraw/zinc/46/60/52/529466052.db2.gz LXERHVOOQRQCMR-UHFFFAOYSA-N 0 1 338.314 2.788 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)c1[N+](=O)[O-] ZINC000171806845 529466254 /nfs/dbraw/zinc/46/62/54/529466254.db2.gz HOAHWETYYJDOJA-GFCCVEGCSA-N 0 1 344.371 2.519 20 5 EFBDMN CC[C@@H](NC(=O)N1CCN(CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176697447 529610804 /nfs/dbraw/zinc/61/08/04/529610804.db2.gz MHDKKHFIMRCBAW-QGZVFWFLSA-N 0 1 346.431 2.783 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](C3OCCO3)C2)ccc1Cl ZINC000178012767 232059550 /nfs/dbraw/zinc/05/95/50/232059550.db2.gz FIHWQALCJWSGRG-LBPRGKRZSA-N 0 1 326.780 2.833 20 5 EFBDMN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000101912665 219172529 /nfs/dbraw/zinc/17/25/29/219172529.db2.gz XPEXSZVCBSATBV-OAHLLOKOSA-N 0 1 349.431 2.732 20 5 EFBDMN C[C@@H]1CN(C[C@@H]2CCCN2Cc2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000066377572 215036583 /nfs/dbraw/zinc/03/65/83/215036583.db2.gz OZGMPQIQJGZNPU-GUTXKFCHSA-N 0 1 339.461 2.730 20 5 EFBDMN Cc1ccnc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000179599423 233206654 /nfs/dbraw/zinc/20/66/54/233206654.db2.gz JCEJBLMMDXGELM-GFCCVEGCSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1ccnc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1[N+](=O)[O-] ZINC000179599423 233206662 /nfs/dbraw/zinc/20/66/62/233206662.db2.gz JCEJBLMMDXGELM-GFCCVEGCSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1c([C@@H](C)NCC(=O)NCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000181401737 234175407 /nfs/dbraw/zinc/17/54/07/234175407.db2.gz JSHWVXDJUQZGIU-OAHLLOKOSA-N 0 1 341.411 2.913 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N(C)CCc2ccncc2)cccc1[N+](=O)[O-] ZINC000181471745 234198271 /nfs/dbraw/zinc/19/82/71/234198271.db2.gz XXNSTWSORAPPIR-AWEZNQCLSA-N 0 1 342.399 2.800 20 5 EFBDMN Cc1ccc([C@H](C)NCC(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000181839584 234345709 /nfs/dbraw/zinc/34/57/09/234345709.db2.gz VTBHOWFIVOCWQV-HNNXBMFYSA-N 0 1 341.411 2.913 20 5 EFBDMN Cc1c(NS(=O)(=O)c2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000037975707 213178465 /nfs/dbraw/zinc/17/84/65/213178465.db2.gz RTRFUSJXZDQWRX-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN C[C@@H]1CCCC[C@@H]1N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129257421 223036857 /nfs/dbraw/zinc/03/68/57/223036857.db2.gz ZQTGPBWGHOGLPA-CJNGLKHVSA-N 0 1 340.445 2.879 20 5 EFBDMN CC(C)N(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000193200829 240056029 /nfs/dbraw/zinc/05/60/29/240056029.db2.gz IDZDMYKKLSZMQV-UHFFFAOYSA-N 0 1 340.445 2.879 20 5 EFBDMN Cc1cc(NC(=O)N2CCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000193634486 240245198 /nfs/dbraw/zinc/24/51/98/240245198.db2.gz PYTDZJFASCHOJT-UHFFFAOYSA-N 0 1 332.404 2.995 20 5 EFBDMN O=[N+]([O-])c1ccn(CCN2CC3(CCOCC3)[C@H]2c2ccccc2)n1 ZINC000412002515 243066011 /nfs/dbraw/zinc/06/60/11/243066011.db2.gz UKKYJVJWNDQVCE-QGZVFWFLSA-N 0 1 342.399 2.645 20 5 EFBDMN CO[C@@](C)([C@H](C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000411951240 243041372 /nfs/dbraw/zinc/04/13/72/243041372.db2.gz PUQCRDXSCXCEAM-GTNSWQLSSA-N 0 1 346.387 2.938 20 5 EFBDMN CO[C@@](C)([C@@H](C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000411972838 243050157 /nfs/dbraw/zinc/05/01/57/243050157.db2.gz QRQPJWHFECHTJS-DIFFPNOSSA-N 0 1 346.387 2.938 20 5 EFBDMN CCN(Cc1occc1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412035341 243085079 /nfs/dbraw/zinc/08/50/79/243085079.db2.gz FTNGZVVIKOQTRD-OAHLLOKOSA-N 0 1 334.372 2.758 20 5 EFBDMN C[C@@H]1[C@@H](CO)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000412095721 243134883 /nfs/dbraw/zinc/13/48/83/243134883.db2.gz TXZOWVHHHNCBER-TZMCWYRMSA-N 0 1 331.372 2.843 20 5 EFBDMN C[C@H](NC(=O)N1CCN2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000246480999 243261918 /nfs/dbraw/zinc/26/19/18/243261918.db2.gz RSCNRMAIVFLGFA-BBRMVZONSA-N 0 1 332.404 2.536 20 5 EFBDMN CC1=CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000412248799 243227661 /nfs/dbraw/zinc/22/76/61/243227661.db2.gz MRDRIWVUUVYOBH-UHFFFAOYSA-N 0 1 347.415 2.764 20 5 EFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000246834397 243321699 /nfs/dbraw/zinc/32/16/99/243321699.db2.gz KGBRSIDTARCCIP-LBTNJELSSA-N 0 1 347.415 2.549 20 5 EFBDMN C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000412666304 243376409 /nfs/dbraw/zinc/37/64/09/243376409.db2.gz YOVPQMSQFLNIQR-ZETCQYMHSA-N 0 1 330.266 2.789 20 5 EFBDMN Cn1cc(CN2CCCO[C@H](CF)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414479270 244188403 /nfs/dbraw/zinc/18/84/03/244188403.db2.gz RPTVUYKGGZHXEP-MRXNPFEDSA-N 0 1 348.378 2.556 20 5 EFBDMN NC1(c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)CCCC1 ZINC000414611852 244254132 /nfs/dbraw/zinc/25/41/32/244254132.db2.gz CXNDPUWCTOQAIA-UHFFFAOYSA-N 0 1 327.344 2.709 20 5 EFBDMN CN(c1ccccc1)c1ccc(C[NH+]2CC(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000414655356 244277978 /nfs/dbraw/zinc/27/79/78/244277978.db2.gz KTHAODFCEPHCAG-UHFFFAOYSA-N 0 1 341.367 2.879 20 5 EFBDMN CCOc1ccc(NC(=O)CN2C[C@H](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419379039 245394964 /nfs/dbraw/zinc/39/49/64/245394964.db2.gz WCXDAJURLKVHDO-XQQFMLRXSA-N 0 1 335.404 2.908 20 5 EFBDMN C[C@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000078543519 217071534 /nfs/dbraw/zinc/07/15/34/217071534.db2.gz FPLBCEVZJHGPNG-LLVKDONJSA-N 0 1 346.353 2.661 20 5 EFBDMN O=[N+]([O-])c1cc(Br)ccc1NCCCc1nc[nH]n1 ZINC000080588494 217316655 /nfs/dbraw/zinc/31/66/55/217316655.db2.gz PAUPZTUAQJVVIR-UHFFFAOYSA-N 0 1 326.154 2.520 20 5 EFBDMN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C2(CCCCC2)C1 ZINC000080940464 217343314 /nfs/dbraw/zinc/34/33/14/217343314.db2.gz PGMLAIXRPJVGRN-UHFFFAOYSA-N 0 1 335.379 2.824 20 5 EFBDMN CC(=O)CN(CC(C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000421920643 246168504 /nfs/dbraw/zinc/16/85/04/246168504.db2.gz ODOGAFBXIGZXRU-UHFFFAOYSA-N 0 1 344.371 2.672 20 5 EFBDMN COc1ccnc(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000424314260 246725887 /nfs/dbraw/zinc/72/58/87/246725887.db2.gz ZUOAHWRXHPRAPP-DZGCQCFKSA-N 0 1 342.399 2.894 20 5 EFBDMN Cc1ccn2c(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)cnc2c1 ZINC000425987012 247222645 /nfs/dbraw/zinc/22/26/45/247222645.db2.gz XZGJDBRKDNDUBB-UHFFFAOYSA-N 0 1 340.387 2.585 20 5 EFBDMN CCc1nc(C)c(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000426327627 247262993 /nfs/dbraw/zinc/26/29/93/247262993.db2.gz VDDQLFYZTDTBEP-NSHDSACASA-N 0 1 346.387 2.961 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000266101775 248098310 /nfs/dbraw/zinc/09/83/10/248098310.db2.gz RTHJNCJKVLUYOX-OAHLLOKOSA-N 0 1 333.413 2.997 20 5 EFBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc([N+](=O)[O-])n3C)c2C)o1 ZINC000434497574 248159042 /nfs/dbraw/zinc/15/90/42/248159042.db2.gz FCLWAKZHEWSUIG-UHFFFAOYSA-N 0 1 329.316 2.786 20 5 EFBDMN Cc1[nH]nc(C(=O)N(C)CC(C)(C)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000266210185 248174436 /nfs/dbraw/zinc/17/44/36/248174436.db2.gz XPJRGXYSFPPFAG-UHFFFAOYSA-N 0 1 330.388 2.985 20 5 EFBDMN CCn1cc([C@H]2OCCC[C@@H]2NCc2csc([N+](=O)[O-])c2)cn1 ZINC000433944608 248105141 /nfs/dbraw/zinc/10/51/41/248105141.db2.gz WZKWJQOZAFPWSY-DZGCQCFKSA-N 0 1 336.417 2.883 20 5 EFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCN(c2cccnn2)CC1 ZINC000266539765 248351214 /nfs/dbraw/zinc/35/12/14/248351214.db2.gz PKMSUXWLVFEMJM-CQSZACIVSA-N 0 1 327.388 2.658 20 5 EFBDMN Cc1c(C(=O)NC[C@H](c2ccsc2)N(C)C)cccc1[N+](=O)[O-] ZINC000012348520 211354517 /nfs/dbraw/zinc/35/45/17/211354517.db2.gz SNIXCRPQMBSGKG-OAHLLOKOSA-N 0 1 333.413 2.997 20 5 EFBDMN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442321639 250078077 /nfs/dbraw/zinc/07/80/77/250078077.db2.gz IPXGOPWXQUDVJX-UHFFFAOYSA-N 0 1 332.341 2.580 20 5 EFBDMN CCC1(CO)CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000093591950 218234530 /nfs/dbraw/zinc/23/45/30/218234530.db2.gz DZSUTCPXXTZQBA-UHFFFAOYSA-N 0 1 338.404 2.597 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc(OC)c2[N+](=O)[O-])n[nH]1 ZINC000444400964 250297067 /nfs/dbraw/zinc/29/70/67/250297067.db2.gz DXXFJLLJWLVMIM-NXEZZACHSA-N 0 1 347.375 2.726 20 5 EFBDMN Cc1ccc(F)c(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000444742143 250339569 /nfs/dbraw/zinc/33/95/69/250339569.db2.gz WEAXSYFXZNNCPT-MRXNPFEDSA-N 0 1 348.374 2.914 20 5 EFBDMN CCN1C[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000449520740 251050974 /nfs/dbraw/zinc/05/09/74/251050974.db2.gz STYMEGIKNVPSRV-ZDUSSCGKSA-N 0 1 329.356 2.565 20 5 EFBDMN O=[N+]([O-])c1ccc(CN(CCO)C2CCSCC2)c(Cl)c1 ZINC000449682984 251115292 /nfs/dbraw/zinc/11/52/92/251115292.db2.gz IOMCUULCVZQQLY-UHFFFAOYSA-N 0 1 330.837 2.938 20 5 EFBDMN CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C ZINC000267779392 251340696 /nfs/dbraw/zinc/34/06/96/251340696.db2.gz MDGUBXNTKCBCIL-VXGBXAGGSA-N 0 1 338.408 2.682 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)N2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000268030152 251552484 /nfs/dbraw/zinc/55/24/84/251552484.db2.gz MGGXDIBMRSQSMO-AWEZNQCLSA-N 0 1 334.420 2.700 20 5 EFBDMN CCc1nc2c(s1)[C@H](N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-])CCC2 ZINC000268713153 252164521 /nfs/dbraw/zinc/16/45/21/252164521.db2.gz WAXJVHFTLWCMPM-SNVBAGLBSA-N 0 1 349.416 2.795 20 5 EFBDMN COCCOC[C@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000181513640 533136310 /nfs/dbraw/zinc/13/63/10/533136310.db2.gz HLSFOYLAIXUXPK-AWEZNQCLSA-N 0 1 345.399 2.941 20 5 EFBDMN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nnc[nH]1 ZINC000160124231 533217025 /nfs/dbraw/zinc/21/70/25/533217025.db2.gz PPZRVRGSEAQMQE-ZCFIWIBFSA-N 0 1 344.253 2.614 20 5 EFBDMN Cc1ccc(CCN2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000459512309 255889369 /nfs/dbraw/zinc/88/93/69/255889369.db2.gz QOBURAAYVNWIBM-UHFFFAOYSA-N 0 1 326.400 2.663 20 5 EFBDMN CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000117985397 221104791 /nfs/dbraw/zinc/10/47/91/221104791.db2.gz RGCNCAYOPBGQHT-UHFFFAOYSA-N 0 1 349.431 2.885 20 5 EFBDMN Cc1c(NC(=O)CC2(N3CCOCC3)CCCC2)cccc1[N+](=O)[O-] ZINC000118640206 221163347 /nfs/dbraw/zinc/16/33/47/221163347.db2.gz UWNIPNWMPVGSBP-UHFFFAOYSA-N 0 1 347.415 2.877 20 5 EFBDMN C[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC000319519066 296441634 /nfs/dbraw/zinc/44/16/34/296441634.db2.gz ZOPXOEBGMGHOEK-CKYFFXLPSA-N 0 1 330.381 2.837 20 5 EFBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(O)c1 ZINC000171306931 533319675 /nfs/dbraw/zinc/31/96/75/533319675.db2.gz RREAJCYSRQLLCG-SECBINFHSA-N 0 1 326.312 2.668 20 5 EFBDMN COC(=O)COc1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178656705 533567901 /nfs/dbraw/zinc/56/79/01/533567901.db2.gz BQJORKDMOOIDSN-CYBMUJFWSA-N 0 1 344.367 2.997 20 5 EFBDMN O=C(CSc1nc(-c2ccccn2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000343482161 142006231 /nfs/dbraw/zinc/00/62/31/142006231.db2.gz VDFQMZBKKZIVGZ-UHFFFAOYSA-N 0 1 341.352 2.750 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344429226 142015431 /nfs/dbraw/zinc/01/54/31/142015431.db2.gz REUREEBKWHVYAZ-VXGBXAGGSA-N 0 1 337.445 2.871 20 5 EFBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[C@@H]1C ZINC000344570008 142042174 /nfs/dbraw/zinc/04/21/74/142042174.db2.gz GTSUXSGTAHQYGJ-LBPRGKRZSA-N 0 1 337.445 2.873 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000344961816 142103664 /nfs/dbraw/zinc/10/36/64/142103664.db2.gz HKGHNYMJMOMWJP-HUUCEWRRSA-N 0 1 349.431 2.613 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000345898293 142114088 /nfs/dbraw/zinc/11/40/88/142114088.db2.gz CRIFEHZVKBKLGF-OLZOCXBDSA-N 0 1 344.415 2.560 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000345939157 142120778 /nfs/dbraw/zinc/12/07/78/142120778.db2.gz CEZQFJPCHAUNRC-RYUDHWBXSA-N 0 1 339.823 2.732 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1C ZINC000345974128 142126296 /nfs/dbraw/zinc/12/62/96/142126296.db2.gz XPXQNQLNHSOQTB-VXGBXAGGSA-N 0 1 330.388 2.631 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4CC[C@@H](O)[C@@H]4C3)cs2)c1 ZINC000346323125 142189369 /nfs/dbraw/zinc/18/93/69/142189369.db2.gz FNRCNUYNKCUFBI-APHBMKBZSA-N 0 1 345.424 2.921 20 5 EFBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000347496888 142226578 /nfs/dbraw/zinc/22/65/78/142226578.db2.gz PQQFGOIHLWUOAB-UHFFFAOYSA-N 0 1 330.388 2.817 20 5 EFBDMN COc1cc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000347568370 142237625 /nfs/dbraw/zinc/23/76/25/142237625.db2.gz VDWROYFCXNXDEE-NWDGAFQWSA-N 0 1 344.371 2.676 20 5 EFBDMN O=C(NCc1cc2ccccc2[nH]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000349646270 142343456 /nfs/dbraw/zinc/34/34/56/142343456.db2.gz RMABJGCRYSJWTM-UHFFFAOYSA-N 0 1 335.323 2.882 20 5 EFBDMN NC(=O)[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000349952593 142382137 /nfs/dbraw/zinc/38/21/37/142382137.db2.gz QFJFLZXPQOGUKI-OAHLLOKOSA-N 0 1 333.775 2.607 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000349954270 142383012 /nfs/dbraw/zinc/38/30/12/142383012.db2.gz JZELPSWHXSGGQQ-CYBMUJFWSA-N 0 1 328.372 2.728 20 5 EFBDMN Cc1ccccc1-n1cc(CNCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000342177993 145075459 /nfs/dbraw/zinc/07/54/59/145075459.db2.gz RVJKXWXPNOAYTA-UHFFFAOYSA-N 0 1 337.383 2.816 20 5 EFBDMN Cc1nn(C)c(C)c1NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342323999 145100896 /nfs/dbraw/zinc/10/08/96/145100896.db2.gz QTIVGFVBKVTZLG-LLVKDONJSA-N 0 1 345.403 2.543 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N(C)CC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342584793 145153115 /nfs/dbraw/zinc/15/31/15/145153115.db2.gz IDWHZQPZYOJBAB-KBPBESRZSA-N 0 1 335.404 2.731 20 5 EFBDMN C[C@H](c1ccncc1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000342653230 145166464 /nfs/dbraw/zinc/16/64/64/145166464.db2.gz VLJPEBZWTGPHRB-SNVBAGLBSA-N 0 1 325.328 2.699 20 5 EFBDMN COC[C@@H]1CCCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000342747931 145184213 /nfs/dbraw/zinc/18/42/13/145184213.db2.gz MKDNQUFVMHPKFQ-CQSZACIVSA-N 0 1 335.404 2.590 20 5 EFBDMN COc1ccc(S(=O)(=O)Nc2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000342951748 145227796 /nfs/dbraw/zinc/22/77/96/145227796.db2.gz MAPCNAFEAFPYKF-UHFFFAOYSA-N 0 1 344.295 2.682 20 5 EFBDMN CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000343621323 145254203 /nfs/dbraw/zinc/25/42/03/145254203.db2.gz HOWSQIJMLZKHRB-LJQANCHMSA-N 0 1 341.411 2.962 20 5 EFBDMN O=C1NC[C@H]2[C@H]1CCCN2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000343627026 145255733 /nfs/dbraw/zinc/25/57/33/145255733.db2.gz UPOSQMQLCWJSHL-CVEARBPZSA-N 0 1 341.367 2.565 20 5 EFBDMN O=C1NC[C@@H]2[C@@H]1CCCN2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000343627038 145255844 /nfs/dbraw/zinc/25/58/44/145255844.db2.gz UPOSQMQLCWJSHL-JKSUJKDBSA-N 0 1 341.367 2.565 20 5 EFBDMN O=C1NC[C@@H]2[C@@H]1CCCN2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000343629813 145256770 /nfs/dbraw/zinc/25/67/70/145256770.db2.gz YPODFPCHJGSZNV-GOEBONIOSA-N 0 1 341.367 2.565 20 5 EFBDMN CCCC1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000343870558 145312735 /nfs/dbraw/zinc/31/27/35/145312735.db2.gz HUYRXWHMYYOMOR-UHFFFAOYSA-N 0 1 330.381 2.983 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](C2CC2)C1 ZINC000344004046 145343102 /nfs/dbraw/zinc/34/31/02/145343102.db2.gz KGMUHKCFTJURSM-DGCLKSJQSA-N 0 1 333.388 2.662 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000344188235 145387805 /nfs/dbraw/zinc/38/78/05/145387805.db2.gz XSEGOPOHQRANKV-INIZCTEOSA-N 0 1 349.337 2.906 20 5 EFBDMN O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000344295275 145414378 /nfs/dbraw/zinc/41/43/78/145414378.db2.gz RCXDLQNTTUQXEB-UHFFFAOYSA-N 0 1 327.275 2.771 20 5 EFBDMN CC(C)c1ccc(CNC[C@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000344325492 145421635 /nfs/dbraw/zinc/42/16/35/145421635.db2.gz MNBRSAOVEMRGIK-CQSZACIVSA-N 0 1 340.445 2.775 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1C1CCOCC1 ZINC000348930098 146025425 /nfs/dbraw/zinc/02/54/25/146025425.db2.gz XORNXLGNKWZGHT-HNNXBMFYSA-N 0 1 347.415 2.733 20 5 EFBDMN CC1CCN(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000351614493 146158920 /nfs/dbraw/zinc/15/89/20/146158920.db2.gz GXKIOKHNTQGHCU-UHFFFAOYSA-N 0 1 339.823 2.639 20 5 EFBDMN Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000351781487 146202538 /nfs/dbraw/zinc/20/25/38/146202538.db2.gz ZJTJLHGYRBAMPK-GFCCVEGCSA-N 0 1 339.355 2.711 20 5 EFBDMN CC(=O)N1CC[C@@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000352844042 146331492 /nfs/dbraw/zinc/33/14/92/146331492.db2.gz ABEQLEMRWKRNDV-MJGOQNOKSA-N 0 1 339.395 2.895 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCCC[C@@H]1C[C@H](C)O ZINC000352876465 146338608 /nfs/dbraw/zinc/33/86/08/146338608.db2.gz MZTHAAWQANKIQS-LSDHHAIUSA-N 0 1 349.431 2.857 20 5 EFBDMN C[C@H](O)C[C@H]1CCCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352879261 146338984 /nfs/dbraw/zinc/33/89/84/146338984.db2.gz VMXYCXVNMPTBSR-QWHCGFSZSA-N 0 1 332.404 2.987 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCCC[C@@H]1C[C@@H](C)O ZINC000352882553 146339568 /nfs/dbraw/zinc/33/95/68/146339568.db2.gz HVWSKVJZVSASET-HUUCEWRRSA-N 0 1 349.431 2.857 20 5 EFBDMN COc1ccc(C(=O)Nc2c(C)n[nH]c2C(F)F)cc1[N+](=O)[O-] ZINC000355625437 147015395 /nfs/dbraw/zinc/01/53/95/147015395.db2.gz YQXJBIZXXQJUTG-UHFFFAOYSA-N 0 1 326.259 2.825 20 5 EFBDMN C[C@H](COc1cccc(F)c1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355632109 147018249 /nfs/dbraw/zinc/01/82/49/147018249.db2.gz GJRXSPAEMJGLHQ-SNVBAGLBSA-N 0 1 334.303 2.637 20 5 EFBDMN O=C(Nc1nccn1Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356337153 147216271 /nfs/dbraw/zinc/21/62/71/147216271.db2.gz KANRTFCMZHZPEW-UHFFFAOYSA-N 0 1 338.323 2.798 20 5 EFBDMN Cc1ccc(Cn2nccc2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)o1 ZINC000356356982 147223305 /nfs/dbraw/zinc/22/33/05/147223305.db2.gz IHNHIRQDAWYFBO-UHFFFAOYSA-N 0 1 342.311 2.699 20 5 EFBDMN O=C(NCc1coc(-c2cccs2)n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356372173 147226686 /nfs/dbraw/zinc/22/66/86/147226686.db2.gz XXWMUZXMMVKLFX-UHFFFAOYSA-N 0 1 345.336 2.947 20 5 EFBDMN O=C(Nc1ccc(-c2nnco2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356421952 147240585 /nfs/dbraw/zinc/24/05/85/147240585.db2.gz QAVLWWSLQOPEQF-UHFFFAOYSA-N 0 1 326.268 2.603 20 5 EFBDMN Cc1c(C[S@](C)=O)cccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356573099 147280552 /nfs/dbraw/zinc/28/05/52/147280552.db2.gz HCODRRHXQJLXGV-DEOSSOPVSA-N 0 1 348.380 2.740 20 5 EFBDMN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356576489 147281270 /nfs/dbraw/zinc/28/12/70/147281270.db2.gz LPUONVDTPMFAPF-BXUZGUMPSA-N 0 1 334.278 2.865 20 5 EFBDMN C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000356601535 147287487 /nfs/dbraw/zinc/28/74/87/147287487.db2.gz IDORHQQOSYTXBQ-JTQLQIEISA-N 0 1 334.303 2.637 20 5 EFBDMN Cc1ccc(O[C@H](C)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356603684 147288039 /nfs/dbraw/zinc/28/80/39/147288039.db2.gz CFHLKWMFVAKJEI-GFCCVEGCSA-N 0 1 330.340 2.806 20 5 EFBDMN CCOc1cccc([C@H]2C[C@H]2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356793535 147337137 /nfs/dbraw/zinc/33/71/37/147337137.db2.gz WAHNYCIVAZGMDM-IAGOWNOFSA-N 0 1 342.351 2.985 20 5 EFBDMN CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356793537 147337413 /nfs/dbraw/zinc/33/74/13/147337413.db2.gz WAHNYCIVAZGMDM-SJORKVTESA-N 0 1 342.351 2.985 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2)C1 ZINC000356802751 147339733 /nfs/dbraw/zinc/33/97/33/147339733.db2.gz LNALSPDSRGGUMZ-INIZCTEOSA-N 0 1 328.324 2.514 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000356802752 147339922 /nfs/dbraw/zinc/33/99/22/147339922.db2.gz LNALSPDSRGGUMZ-MRXNPFEDSA-N 0 1 328.324 2.514 20 5 EFBDMN O=C(Nc1nnc(CC(F)(F)F)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356807552 147340657 /nfs/dbraw/zinc/34/06/57/147340657.db2.gz VZKFIMVGPQUHEM-UHFFFAOYSA-N 0 1 348.262 2.509 20 5 EFBDMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356807585 147340951 /nfs/dbraw/zinc/34/09/51/147340951.db2.gz WNELRVNVPWZOTI-GJZGRUSLSA-N 0 1 336.388 2.966 20 5 EFBDMN Cc1cccnc1C(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359694959 148165202 /nfs/dbraw/zinc/16/52/02/148165202.db2.gz UUDYWJSQAVDXCQ-UHFFFAOYSA-N 0 1 329.356 2.711 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000360030763 148254516 /nfs/dbraw/zinc/25/45/16/148254516.db2.gz IQWQEEMPMYKUHW-UHFFFAOYSA-N 0 1 347.396 2.978 20 5 EFBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000360430891 148359196 /nfs/dbraw/zinc/35/91/96/148359196.db2.gz ZNFIDOLJJXVWDU-UHFFFAOYSA-N 0 1 329.291 2.753 20 5 EFBDMN CC[C@H](c1ccccc1OC)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000360546352 148389866 /nfs/dbraw/zinc/38/98/66/148389866.db2.gz MJTMJWGEJNBKNL-GFCCVEGCSA-N 0 1 332.360 2.858 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccccc1OC)N(C)C ZINC000360840744 148467016 /nfs/dbraw/zinc/46/70/16/148467016.db2.gz CJQPYGYQRZDFOV-CQSZACIVSA-N 0 1 347.419 2.843 20 5 EFBDMN O=C(C=Cc1cccc([N+](=O)[O-])c1)N1CCC(c2cnc[nH]2)CC1 ZINC000364373473 149139088 /nfs/dbraw/zinc/13/90/88/149139088.db2.gz GQEQNULDCCJCFC-SNAWJCMRSA-N 0 1 326.356 2.737 20 5 EFBDMN CSc1cccc(C(=O)N[C@H]2CCCc3cn[nH]c32)c1[N+](=O)[O-] ZINC000364505211 149170595 /nfs/dbraw/zinc/17/05/95/149170595.db2.gz NNVDNNYYCXYWRV-NSHDSACASA-N 0 1 332.385 2.847 20 5 EFBDMN Cn1ccnc1C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000368479173 150127630 /nfs/dbraw/zinc/12/76/30/150127630.db2.gz RHJPVOKLFFTZPC-ZDUSSCGKSA-N 0 1 332.379 2.922 20 5 EFBDMN Cc1c([C@@H](C)N[C@H]2CCCc3c2cnn3CCO)cccc1[N+](=O)[O-] ZINC000368564808 150150075 /nfs/dbraw/zinc/15/00/75/150150075.db2.gz WAEMYLHTURYNSR-CJNGLKHVSA-N 0 1 344.415 2.820 20 5 EFBDMN Cn1ccnc1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373233478 151138208 /nfs/dbraw/zinc/13/82/08/151138208.db2.gz VXQQOFYNHMTUMZ-CYBMUJFWSA-N 0 1 345.359 2.616 20 5 EFBDMN CO[C@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000373288107 151146915 /nfs/dbraw/zinc/14/69/15/151146915.db2.gz LQTVWXBUMRQLDZ-AWEZNQCLSA-N 0 1 332.360 2.646 20 5 EFBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000373345864 151155507 /nfs/dbraw/zinc/15/55/07/151155507.db2.gz RIRIAMXFWPENHY-NJELEJDNSA-N 0 1 342.399 2.777 20 5 EFBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000374607087 151379753 /nfs/dbraw/zinc/37/97/53/151379753.db2.gz UQBIUNOQHYKTMY-ZWKOTPCHSA-N 0 1 346.358 2.921 20 5 EFBDMN Cc1sc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378306539 152052933 /nfs/dbraw/zinc/05/29/33/152052933.db2.gz LEWLQCYBOISFOQ-ZIAGYGMSSA-N 0 1 345.424 2.792 20 5 EFBDMN C[C@@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC12CCC2 ZINC000408085671 152150035 /nfs/dbraw/zinc/15/00/35/152150035.db2.gz BSPSVXMIDNXDQG-CQSZACIVSA-N 0 1 343.427 2.996 20 5 EFBDMN Cc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000122467333 222093695 /nfs/dbraw/zinc/09/36/95/222093695.db2.gz DJEBQRRUMCWEKM-UHFFFAOYSA-N 0 1 331.416 2.738 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCc1ccccc1 ZINC000123652723 222312802 /nfs/dbraw/zinc/31/28/02/222312802.db2.gz BUOVYEZFYNEQPY-UHFFFAOYSA-N 0 1 338.360 2.645 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CN(CCO)CC3CC3)cs2)c1 ZINC000092505820 544546535 /nfs/dbraw/zinc/54/65/35/544546535.db2.gz CAMJGQSTCZWVDN-UHFFFAOYSA-N 0 1 333.413 2.923 20 5 EFBDMN CN(C)[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000043143583 272970224 /nfs/dbraw/zinc/97/02/24/272970224.db2.gz UYWVTFJQZLWNML-AWEZNQCLSA-N 0 1 348.428 2.758 20 5 EFBDMN C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1cccs1 ZINC000192707355 265306017 /nfs/dbraw/zinc/30/60/17/265306017.db2.gz MLFFLXXVVPAETL-CQSZACIVSA-N 0 1 336.413 2.666 20 5 EFBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1cccs1 ZINC000192707355 265306021 /nfs/dbraw/zinc/30/60/21/265306021.db2.gz MLFFLXXVVPAETL-CQSZACIVSA-N 0 1 336.413 2.666 20 5 EFBDMN CCOc1ccc([C@@H](C)NC[C@@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271505190 265995274 /nfs/dbraw/zinc/99/52/74/265995274.db2.gz MPOAGAAXYLMTKK-NOZJJQNGSA-N 0 1 336.310 2.957 20 5 EFBDMN CCN(CC)C(=O)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000271539909 266003575 /nfs/dbraw/zinc/00/35/75/266003575.db2.gz UBHXYPRULZLWGB-NSHDSACASA-N 0 1 327.812 2.985 20 5 EFBDMN CC[C@H]1CC[C@@H](C)N1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271580066 266010638 /nfs/dbraw/zinc/01/06/38/266010638.db2.gz RSZIEMJHLVWUSS-MNOVXSKESA-N 0 1 335.360 2.525 20 5 EFBDMN Cc1cc(C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000272064376 266140215 /nfs/dbraw/zinc/14/02/15/266140215.db2.gz GVTPRCKETMFHPB-UHFFFAOYSA-N 0 1 328.372 2.575 20 5 EFBDMN CC(C)CCOC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272480764 266279390 /nfs/dbraw/zinc/27/93/90/266279390.db2.gz BAPKTRNVNSGAJT-UHFFFAOYSA-N 0 1 336.388 2.968 20 5 EFBDMN CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272494473 266283704 /nfs/dbraw/zinc/28/37/04/266283704.db2.gz HQSXUGFRGLBOHM-KRWDZBQOSA-N 0 1 342.351 2.686 20 5 EFBDMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272555619 266306538 /nfs/dbraw/zinc/30/65/38/266306538.db2.gz MTQPNCFOBCKWRY-CYBMUJFWSA-N 0 1 343.383 2.551 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N(C)C[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000272595870 266320183 /nfs/dbraw/zinc/32/01/83/266320183.db2.gz UMHBKFLPQSCGJX-GRDNDAEWSA-N 0 1 349.431 2.713 20 5 EFBDMN C[C@H](O)C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000272693238 266352889 /nfs/dbraw/zinc/35/28/89/266352889.db2.gz RAAUXSNNRMVVHE-SWLSCSKDSA-N 0 1 344.367 2.585 20 5 EFBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000272705240 266356195 /nfs/dbraw/zinc/35/61/95/266356195.db2.gz VTHDOVKHKSZIJM-BMIGLBTASA-N 0 1 348.380 2.964 20 5 EFBDMN COC(=O)CCCCCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272707374 266358781 /nfs/dbraw/zinc/35/87/81/266358781.db2.gz WOPVAXSLNJCSPE-UHFFFAOYSA-N 0 1 338.360 2.544 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2Cc3ccccc3OC[C@H]2C)c1[N+](=O)[O-] ZINC000272793433 266384165 /nfs/dbraw/zinc/38/41/65/266384165.db2.gz DURYSQCYQZIQRP-LLVKDONJSA-N 0 1 344.371 2.865 20 5 EFBDMN CC(=O)N(C)C1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000272832035 266392712 /nfs/dbraw/zinc/39/27/12/266392712.db2.gz LFGBAGSBQDCVGF-UHFFFAOYSA-N 0 1 342.399 2.899 20 5 EFBDMN Cc1cc(N2CCC(CCC(N)=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272830517 266393059 /nfs/dbraw/zinc/39/30/59/266393059.db2.gz KZYPNFJRAQQFJL-UHFFFAOYSA-N 0 1 342.399 2.933 20 5 EFBDMN CNC(=O)CC1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000272854853 266399261 /nfs/dbraw/zinc/39/92/61/266399261.db2.gz PFWUQXBNHMWHPZ-UHFFFAOYSA-N 0 1 342.399 2.804 20 5 EFBDMN CC(C)(C(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1F ZINC000273903031 266576750 /nfs/dbraw/zinc/57/67/50/266576750.db2.gz XVIDCLDKUDGHHU-CQSZACIVSA-N 0 1 346.362 2.928 20 5 EFBDMN CCOC(=O)[C@@H](C)[C@@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000274020480 266599932 /nfs/dbraw/zinc/59/99/32/266599932.db2.gz MUGUAZSZBXJQTD-NWDGAFQWSA-N 0 1 347.371 2.927 20 5 EFBDMN Nc1c(F)c(NC2CCN(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000274717033 266696921 /nfs/dbraw/zinc/69/69/21/266696921.db2.gz ZYNBIRLUFBBENL-UHFFFAOYSA-N 0 1 345.378 2.788 20 5 EFBDMN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000107695417 273008053 /nfs/dbraw/zinc/00/80/53/273008053.db2.gz YRLKKVQOCNFZOC-LLVKDONJSA-N 0 1 341.795 2.545 20 5 EFBDMN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCOC1 ZINC000107693766 273008119 /nfs/dbraw/zinc/00/81/19/273008119.db2.gz BFPWKQFWLZTWSI-LBPRGKRZSA-N 0 1 332.360 2.503 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCc3c(cccc3C(C)C)C2)c1[N+](=O)[O-] ZINC000276573482 267015926 /nfs/dbraw/zinc/01/59/26/267015926.db2.gz IXFGDOPQWFLPOK-UHFFFAOYSA-N 0 1 328.372 2.948 20 5 EFBDMN CCOc1cc(CN2CCC(CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000276828342 267056888 /nfs/dbraw/zinc/05/68/88/267056888.db2.gz AOGQJLJWLDUWCJ-UHFFFAOYSA-N 0 1 349.431 2.684 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])n[nH]1 ZINC000277140223 267120318 /nfs/dbraw/zinc/12/03/18/267120318.db2.gz DOTYAYBBRYJKSV-RKDXNWHRSA-N 0 1 333.352 2.504 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)n[nH]1 ZINC000277176577 267125294 /nfs/dbraw/zinc/12/52/94/267125294.db2.gz RXMANOIVSIMBGI-VHSXEESVSA-N 0 1 347.375 2.726 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277747022 267252084 /nfs/dbraw/zinc/25/20/84/267252084.db2.gz LFYPFISDLXKGSV-SMDDNHRTSA-N 0 1 348.321 2.609 20 5 EFBDMN CCC[C@]1(CO)CCCN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000277772391 267259785 /nfs/dbraw/zinc/25/97/85/267259785.db2.gz NDNJEBPKFFUINX-MRXNPFEDSA-N 0 1 326.368 2.870 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277791109 267264421 /nfs/dbraw/zinc/26/44/21/267264421.db2.gz ONSHEVQDFPPECL-BXUZGUMPSA-N 0 1 348.321 2.609 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC(OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000269601916 273084994 /nfs/dbraw/zinc/08/49/94/273084994.db2.gz PCCDVXZRDBDNAJ-UHFFFAOYSA-N 0 1 338.408 2.861 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000270611715 273095311 /nfs/dbraw/zinc/09/53/11/273095311.db2.gz FJARVFMGQORULF-QMMMGPOBSA-N 0 1 337.767 2.981 20 5 EFBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1nnc2n1CCC2 ZINC000271118638 273099215 /nfs/dbraw/zinc/09/92/15/273099215.db2.gz IVIZKAYWDVXBPN-GFCCVEGCSA-N 0 1 347.444 2.793 20 5 EFBDMN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274321420 273132219 /nfs/dbraw/zinc/13/22/19/273132219.db2.gz XKIPQQJNZDFOGP-WMLDXEAASA-N 0 1 342.351 2.951 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000274960189 273135665 /nfs/dbraw/zinc/13/56/65/273135665.db2.gz IUXVVKUNHRQINI-UHFFFAOYSA-N 0 1 341.415 2.902 20 5 EFBDMN CCCNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000276971028 273144572 /nfs/dbraw/zinc/14/45/72/273144572.db2.gz WWVMNTMKCXFDLN-UHFFFAOYSA-N 0 1 349.431 2.732 20 5 EFBDMN COC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCCO1 ZINC000279062044 273172151 /nfs/dbraw/zinc/17/21/51/273172151.db2.gz LQCCLZNRUIETTB-RDJZCZTQSA-N 0 1 338.404 2.666 20 5 EFBDMN COC[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000279665355 273239769 /nfs/dbraw/zinc/23/97/69/273239769.db2.gz GYMQKMBUNONWGD-JTQLQIEISA-N 0 1 340.763 2.605 20 5 EFBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCN1C1CC1 ZINC000279669585 273240151 /nfs/dbraw/zinc/24/01/51/273240151.db2.gz FNYFOAOTEOKIIN-HNNXBMFYSA-N 0 1 337.807 2.833 20 5 EFBDMN CC1(C)CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000279752534 273249529 /nfs/dbraw/zinc/24/95/29/273249529.db2.gz QIHGFDVACLZAPJ-UHFFFAOYSA-N 0 1 349.456 2.701 20 5 EFBDMN C[C@@H](O)C[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279810989 273255967 /nfs/dbraw/zinc/25/59/67/273255967.db2.gz PWFZPCRLOJWGIQ-IUODEOHRSA-N 0 1 346.387 2.770 20 5 EFBDMN C[C@@H](O)C[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279810986 273256006 /nfs/dbraw/zinc/25/60/06/273256006.db2.gz PWFZPCRLOJWGIQ-DOMZBBRYSA-N 0 1 346.387 2.770 20 5 EFBDMN C[C@@H](O)C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000279816859 273256606 /nfs/dbraw/zinc/25/66/06/273256606.db2.gz QHFCOXYRCGWXHD-DOMZBBRYSA-N 0 1 336.388 2.587 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)c1[N+](=O)[O-] ZINC000280141116 273295432 /nfs/dbraw/zinc/29/54/32/273295432.db2.gz TYHNAKNAMJELSD-CYBMUJFWSA-N 0 1 328.372 2.873 20 5 EFBDMN CCOc1cc(N2CCN(C[C@H]3CC[C@@H](C)O3)CC2)ccc1[N+](=O)[O-] ZINC000280199186 273301420 /nfs/dbraw/zinc/30/14/20/273301420.db2.gz IVEMEYCTAUYNMT-GDBMZVCRSA-N 0 1 349.431 2.683 20 5 EFBDMN CO[C@]1(C)CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280237662 273305715 /nfs/dbraw/zinc/30/57/15/273305715.db2.gz AUCHSLGOBKDZEI-SUMWQHHRSA-N 0 1 335.404 2.813 20 5 EFBDMN CO[C@]1(C)CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280237643 273305732 /nfs/dbraw/zinc/30/57/32/273305732.db2.gz AUCHSLGOBKDZEI-CXAGYDPISA-N 0 1 335.404 2.813 20 5 EFBDMN Cc1cc(N2CCO[C@@]3(CCO[C@@H]3C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000280559678 273341046 /nfs/dbraw/zinc/34/10/46/273341046.db2.gz UPTPQBWNUAVVTC-ACJLOTCBSA-N 0 1 343.383 2.836 20 5 EFBDMN CCC(=O)c1ccc(N2C[C@@H](N(C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000280776778 273365501 /nfs/dbraw/zinc/36/55/01/273365501.db2.gz SKIOBNZAXVIAFW-ZBFHGGJFSA-N 0 1 337.445 2.669 20 5 EFBDMN Cc1ccc([C@@H](C)NCC2(S(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000280933224 273382775 /nfs/dbraw/zinc/38/27/75/273382775.db2.gz IHCIVSKUUGAUEI-GFCCVEGCSA-N 0 1 326.418 2.521 20 5 EFBDMN Cc1ccc([C@H](C)NCC2(S(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000280933237 273383004 /nfs/dbraw/zinc/38/30/04/273383004.db2.gz IHCIVSKUUGAUEI-LBPRGKRZSA-N 0 1 326.418 2.521 20 5 EFBDMN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000282071809 273510130 /nfs/dbraw/zinc/51/01/30/273510130.db2.gz NAHBDNKXOKHGGM-AHBIMHKDSA-N 0 1 348.399 2.702 20 5 EFBDMN COCCn1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000282956931 273645222 /nfs/dbraw/zinc/64/52/22/273645222.db2.gz ZLXICJGLCKXKTA-QGZVFWFLSA-N 0 1 330.388 2.605 20 5 EFBDMN CCOc1cccc(N2CCC[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000283371478 273707263 /nfs/dbraw/zinc/70/72/63/273707263.db2.gz CRJGHMYZBMJZOM-HNNXBMFYSA-N 0 1 349.431 2.542 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000285572135 274028113 /nfs/dbraw/zinc/02/81/13/274028113.db2.gz NUOBYVUHAGAKPH-CQSZACIVSA-N 0 1 348.321 2.753 20 5 EFBDMN Cc1ccc([C@@H](C)NCC2(S(C)(=O)=O)CCCC2)cc1[N+](=O)[O-] ZINC000285633829 274042396 /nfs/dbraw/zinc/04/23/96/274042396.db2.gz KOKBECVBODKRFN-CYBMUJFWSA-N 0 1 340.445 2.911 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC2(CCOCC2)CC1 ZINC000285645896 274044595 /nfs/dbraw/zinc/04/45/95/274044595.db2.gz GKNJTXWJEZXTOI-UHFFFAOYSA-N 0 1 344.371 2.504 20 5 EFBDMN C[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)N1[C@H](C)CC[C@H]1C ZINC000285785033 274074411 /nfs/dbraw/zinc/07/44/11/274074411.db2.gz OKGYEJLAKCVXEF-GMTAPVOTSA-N 0 1 331.376 2.671 20 5 EFBDMN CN(CCCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000285804034 274078129 /nfs/dbraw/zinc/07/81/29/274078129.db2.gz MTPFGIPRLMZZTD-UHFFFAOYSA-N 0 1 345.399 2.711 20 5 EFBDMN CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000285924409 274101447 /nfs/dbraw/zinc/10/14/47/274101447.db2.gz UWFUVSVHLKRYMZ-UHFFFAOYSA-N 0 1 331.372 2.782 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCCC[C@@H]1C[C@@H](C)O ZINC000286065009 274126311 /nfs/dbraw/zinc/12/63/11/274126311.db2.gz RQKPUWOIRGRODG-HUUCEWRRSA-N 0 1 349.431 2.857 20 5 EFBDMN COC(=O)[C@@]1(C(F)(F)F)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000286296829 274172073 /nfs/dbraw/zinc/17/20/73/274172073.db2.gz CGOLULJCIVNRBK-CQSZACIVSA-N 0 1 346.305 2.565 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@H](CN2CCOCC2)C1 ZINC000286438352 274201373 /nfs/dbraw/zinc/20/13/73/274201373.db2.gz MDENDPGCLCVEQB-CYBMUJFWSA-N 0 1 339.823 2.797 20 5 EFBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181570155 274254423 /nfs/dbraw/zinc/25/44/23/274254423.db2.gz SYEHBCVRBGKASX-NEPJUHHUSA-N 0 1 329.356 2.978 20 5 EFBDMN Cc1c(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000286740183 274263216 /nfs/dbraw/zinc/26/32/16/274263216.db2.gz YBPKXQGWLGTKIH-CHWSQXEVSA-N 0 1 332.322 2.896 20 5 EFBDMN O=C([C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CCCC1 ZINC000287251336 274377997 /nfs/dbraw/zinc/37/79/97/274377997.db2.gz GWVBQISIGPAFOX-ZDUSSCGKSA-N 0 1 337.807 2.693 20 5 EFBDMN O=CN1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000273008179 275031655 /nfs/dbraw/zinc/03/16/55/275031655.db2.gz VOGSEWWJTPONDN-UHFFFAOYSA-N 0 1 336.391 2.610 20 5 EFBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@H]1CCc2[nH]cnc2C1 ZINC000377328594 275040589 /nfs/dbraw/zinc/04/05/89/275040589.db2.gz CANPAJNVCQDJFI-ZETCQYMHSA-N 0 1 327.266 2.701 20 5 EFBDMN CC(=O)N[C@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000097083802 275486844 /nfs/dbraw/zinc/48/68/44/275486844.db2.gz NMCCJTNZURZQFD-ZDUSSCGKSA-N 0 1 328.372 2.556 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1C ZINC000345904270 276240015 /nfs/dbraw/zinc/24/00/15/276240015.db2.gz KVIRJYKMBSOMMT-NWDGAFQWSA-N 0 1 330.388 2.631 20 5 EFBDMN C[C@@H]1COc2ccccc2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000361011753 278862784 /nfs/dbraw/zinc/86/27/84/278862784.db2.gz CZMBLPFEOHKUMF-LLVKDONJSA-N 0 1 328.324 2.724 20 5 EFBDMN C[C@@H]1[C@H](C)N(c2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000356797940 279104613 /nfs/dbraw/zinc/10/46/13/279104613.db2.gz QZEJVOAYLOSBCO-ZJUUUORDSA-N 0 1 328.210 2.886 20 5 EFBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000432185627 279813726 /nfs/dbraw/zinc/81/37/26/279813726.db2.gz IRXGWQZERWMKGT-VIFPVBQESA-N 0 1 332.287 2.867 20 5 EFBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000360043505 280259629 /nfs/dbraw/zinc/25/96/29/280259629.db2.gz ZNUNWNBKZIGVSY-UHFFFAOYSA-N 0 1 347.396 2.978 20 5 EFBDMN Cc1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000363664955 280300202 /nfs/dbraw/zinc/30/02/02/280300202.db2.gz LKZVXRWNEPYCLK-ACJLOTCBSA-N 0 1 343.383 2.623 20 5 EFBDMN Cc1ccc2c(c1)CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C2 ZINC000360189563 281053051 /nfs/dbraw/zinc/05/30/51/281053051.db2.gz MIJRXSMQNUOVBR-UHFFFAOYSA-N 0 1 328.372 2.948 20 5 EFBDMN Cc1cccc(N2CCC(CCN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000364635270 281224674 /nfs/dbraw/zinc/22/46/74/281224674.db2.gz LKIZJYMKIBOJNM-UHFFFAOYSA-N 0 1 333.432 2.842 20 5 EFBDMN CSCC[C@H](C)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000126363236 293036432 /nfs/dbraw/zinc/03/64/32/293036432.db2.gz GKKLMXPORVMFOZ-LBPRGKRZSA-N 0 1 325.434 2.915 20 5 EFBDMN C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130408893 293164707 /nfs/dbraw/zinc/16/47/07/293164707.db2.gz QGRRVPVNBBMZNP-CYBMUJFWSA-N 0 1 335.404 2.542 20 5 EFBDMN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132727812 293235873 /nfs/dbraw/zinc/23/58/73/293235873.db2.gz DENBTRLUXGLPRP-ZETCQYMHSA-N 0 1 343.170 2.986 20 5 EFBDMN O=[N+]([O-])c1cccc(CN(C[C@@H](O)COCc2ccco2)C2CC2)c1 ZINC000153300830 293369989 /nfs/dbraw/zinc/36/99/89/293369989.db2.gz SRLYOWZSUSGFKK-QGZVFWFLSA-N 0 1 346.383 2.730 20 5 EFBDMN CCCN1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000156975296 293529733 /nfs/dbraw/zinc/52/97/33/293529733.db2.gz CPGUVYCDGPNTDJ-UHFFFAOYSA-N 0 1 329.347 2.724 20 5 EFBDMN O=C(NC[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)C(F)(F)F ZINC000290774937 294181819 /nfs/dbraw/zinc/18/18/19/294181819.db2.gz VVDOOYAYLKSMGB-VIFPVBQESA-N 0 1 349.284 2.629 20 5 EFBDMN CC(C)(CO)[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000293012473 294853051 /nfs/dbraw/zinc/85/30/51/294853051.db2.gz JZBAWDKPVPKMHR-OAHLLOKOSA-N 0 1 346.387 2.532 20 5 EFBDMN COc1ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293672052 295024899 /nfs/dbraw/zinc/02/48/99/295024899.db2.gz OYOIMPJHMNYLTR-QGZVFWFLSA-N 0 1 332.400 2.994 20 5 EFBDMN CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000293768767 295045102 /nfs/dbraw/zinc/04/51/02/295045102.db2.gz NKXNXJYIHMKBDJ-OAHLLOKOSA-N 0 1 327.340 2.919 20 5 EFBDMN CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1cccnc1 ZINC000293768765 295045130 /nfs/dbraw/zinc/04/51/30/295045130.db2.gz NKXNXJYIHMKBDJ-HNNXBMFYSA-N 0 1 327.340 2.919 20 5 EFBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000294474334 295173009 /nfs/dbraw/zinc/17/30/09/295173009.db2.gz BEKGBGQFVUAUKR-RFAUZJTJSA-N 0 1 348.380 2.794 20 5 EFBDMN CSC[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000294688623 295208532 /nfs/dbraw/zinc/20/85/32/295208532.db2.gz QBONPPCLCTYNLK-JTQLQIEISA-N 0 1 334.401 2.686 20 5 EFBDMN COc1ccc([C@H]2CCCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1 ZINC000352757906 295249212 /nfs/dbraw/zinc/24/92/12/295249212.db2.gz LQTHMAMONNVFIH-CYBMUJFWSA-N 0 1 330.344 2.612 20 5 EFBDMN O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000295085533 295266245 /nfs/dbraw/zinc/26/62/45/295266245.db2.gz BKYGEZZKRWAOCX-UONOGXRCSA-N 0 1 343.358 2.515 20 5 EFBDMN CC[C@@]1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCO1 ZINC000295227906 295285307 /nfs/dbraw/zinc/28/53/07/295285307.db2.gz NYRDUIFBRSMIGT-KRWDZBQOSA-N 0 1 344.371 2.626 20 5 EFBDMN CC[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCS1 ZINC000295287338 295293667 /nfs/dbraw/zinc/29/36/67/295293667.db2.gz MQEICLBXDPBRRI-CYBMUJFWSA-N 0 1 346.412 2.953 20 5 EFBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC000295400174 295313561 /nfs/dbraw/zinc/31/35/61/295313561.db2.gz RIQFAUASVVGSSO-GFCCVEGCSA-N 0 1 349.456 2.873 20 5 EFBDMN CO[C@@H]1[C@@H](C)[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000296009095 295411134 /nfs/dbraw/zinc/41/11/34/295411134.db2.gz MLUAKFWHSGLCDC-NZVBXONLSA-N 0 1 346.387 2.794 20 5 EFBDMN CCn1cc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000296229065 295444692 /nfs/dbraw/zinc/44/46/92/295444692.db2.gz WMEGOXOYPHAHOS-OLZOCXBDSA-N 0 1 345.403 2.797 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1(C(F)(F)F)CCC1 ZINC000354630505 302047458 /nfs/dbraw/zinc/04/74/58/302047458.db2.gz CBLBQQBTDWKTMB-UHFFFAOYSA-N 0 1 338.307 2.667 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000296604275 310829243 /nfs/dbraw/zinc/82/92/43/310829243.db2.gz HRXZIOHDBBEIRC-LBPRGKRZSA-N 0 1 336.392 2.551 20 5 EFBDMN Cc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000298754473 311020750 /nfs/dbraw/zinc/02/07/50/311020750.db2.gz WAAIRUMGFRVQSX-CQSZACIVSA-N 0 1 349.412 2.648 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000299001887 311041059 /nfs/dbraw/zinc/04/10/59/311041059.db2.gz OYYSYQUQNMCGOL-LBPRGKRZSA-N 0 1 337.376 2.828 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC(OC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000299540503 311094999 /nfs/dbraw/zinc/09/49/99/311094999.db2.gz HCFXVGGXMMZGFA-UHFFFAOYSA-N 0 1 336.392 2.580 20 5 EFBDMN Cc1cccc(CN2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)c1 ZINC000301187585 311123560 /nfs/dbraw/zinc/12/35/60/311123560.db2.gz KSJCMXFDPMGYEB-UHFFFAOYSA-N 0 1 326.400 2.929 20 5 EFBDMN C[C@H](CN1CCN(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000301304151 311130496 /nfs/dbraw/zinc/13/04/96/311130496.db2.gz XDTDHTWGPCJKLA-OAHLLOKOSA-N 0 1 341.415 2.612 20 5 EFBDMN Cc1cc(NCC2(CN3CCOCC3)CCCCC2)ncc1[N+](=O)[O-] ZINC000301591013 311146380 /nfs/dbraw/zinc/14/63/80/311146380.db2.gz TYGWCGDXUSAYCZ-UHFFFAOYSA-N 0 1 348.447 2.993 20 5 EFBDMN COc1cc(NCCCN2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301884174 311164507 /nfs/dbraw/zinc/16/45/07/311164507.db2.gz YOPHWZDKZAMDHG-TXEJJXNPSA-N 0 1 341.383 2.654 20 5 EFBDMN COC(=O)c1cnc(Nc2cc3cn[nH]c3cc2C)c([N+](=O)[O-])c1 ZINC000302723107 311198153 /nfs/dbraw/zinc/19/81/53/311198153.db2.gz NEIZADJJBPRATO-UHFFFAOYSA-N 0 1 327.300 2.705 20 5 EFBDMN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000302782089 311200899 /nfs/dbraw/zinc/20/08/99/311200899.db2.gz SFERYBUIEQOEMN-QWRGUYRKSA-N 0 1 347.337 2.505 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000305149549 311217630 /nfs/dbraw/zinc/21/76/30/311217630.db2.gz OFVRJSXEHRZKJA-CQSZACIVSA-N 0 1 348.321 2.609 20 5 EFBDMN C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319570137 311236863 /nfs/dbraw/zinc/23/68/63/311236863.db2.gz STFITTPLGMWBDM-GHMZBOCLSA-N 0 1 330.381 2.839 20 5 EFBDMN CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319429716 311236934 /nfs/dbraw/zinc/23/69/34/311236934.db2.gz GRFIQYAHDQFAJL-PWSUYJOCSA-N 0 1 330.381 2.981 20 5 EFBDMN C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000324167381 311241017 /nfs/dbraw/zinc/24/10/17/311241017.db2.gz FGMWJMYAUVCRBD-LRDDRELGSA-N 0 1 330.388 2.512 20 5 EFBDMN C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000324355827 311241562 /nfs/dbraw/zinc/24/15/62/311241562.db2.gz GUSVECNRCCTGDD-LLVKDONJSA-N 0 1 338.360 2.816 20 5 EFBDMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000324582935 311241949 /nfs/dbraw/zinc/24/19/49/311241949.db2.gz GQVAHIRVSVQRCE-QGZVFWFLSA-N 0 1 326.352 2.821 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000327349228 311245241 /nfs/dbraw/zinc/24/52/41/311245241.db2.gz LHTYWABFYUSXTQ-INIZCTEOSA-N 0 1 342.351 2.615 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000327349228 311245242 /nfs/dbraw/zinc/24/52/42/311245242.db2.gz LHTYWABFYUSXTQ-INIZCTEOSA-N 0 1 342.351 2.615 20 5 EFBDMN CCN1C[C@@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000330546074 311321438 /nfs/dbraw/zinc/32/14/38/311321438.db2.gz CCQCWKFZTFRWJO-QWHCGFSZSA-N 0 1 345.403 2.559 20 5 EFBDMN CCN1C[C@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000330562349 311322061 /nfs/dbraw/zinc/32/20/61/311322061.db2.gz JHWLNNPZUPIOBR-STQMWFEESA-N 0 1 345.403 2.559 20 5 EFBDMN CCN1C[C@@H](C)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000330573772 311322504 /nfs/dbraw/zinc/32/25/04/311322504.db2.gz NOFJQHDMXFCJRT-CHWSQXEVSA-N 0 1 345.403 2.559 20 5 EFBDMN CC(C)CN1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330860745 311339345 /nfs/dbraw/zinc/33/93/45/311339345.db2.gz PPSZHQLRSPKCIP-ZDUSSCGKSA-N 0 1 337.395 2.638 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC(C)(C)[C@H]1C ZINC000331052194 311351041 /nfs/dbraw/zinc/35/10/41/311351041.db2.gz MHZXQUDWAQSTQR-CYBMUJFWSA-N 0 1 335.404 2.731 20 5 EFBDMN CSc1ccc(C(=O)N2CCN(C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331163823 311358137 /nfs/dbraw/zinc/35/81/37/311358137.db2.gz RTTPAVKHLHWPST-AWEZNQCLSA-N 0 1 337.445 2.729 20 5 EFBDMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000331270440 311364081 /nfs/dbraw/zinc/36/40/81/311364081.db2.gz ANNZPXKRPXYMJC-JMSVASOKSA-N 0 1 346.387 2.626 20 5 EFBDMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000331299644 311365888 /nfs/dbraw/zinc/36/58/88/311365888.db2.gz VPLMWSGKFDJERT-TYNCELHUSA-N 0 1 346.387 2.626 20 5 EFBDMN CSC[C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331594019 311394838 /nfs/dbraw/zinc/39/48/38/311394838.db2.gz BYZSEDJYWRDTBE-CZUORRHYSA-N 0 1 349.456 2.775 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000331605359 311396137 /nfs/dbraw/zinc/39/61/37/311396137.db2.gz VGMQQYUDXGCQDI-INIZCTEOSA-N 0 1 334.372 2.722 20 5 EFBDMN CCC[C@H]1CNCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417719335 312261069 /nfs/dbraw/zinc/26/10/69/312261069.db2.gz PUEUIGUZNBITTI-KRWDZBQOSA-N 0 1 348.447 2.701 20 5 EFBDMN CCC[C@H]1CNCCN1C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000417844008 312280073 /nfs/dbraw/zinc/28/00/73/312280073.db2.gz HHEFUZAFCMVRLW-JKSUJKDBSA-N 0 1 334.420 2.829 20 5 EFBDMN CC(=O)c1ccc(O)c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000437004984 312608996 /nfs/dbraw/zinc/60/89/96/312608996.db2.gz YATNVAZYHJJWEQ-UHFFFAOYSA-N 0 1 344.323 2.829 20 5 EFBDMN Cc1cccc(C)c1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453580253 312912367 /nfs/dbraw/zinc/91/23/67/312912367.db2.gz SZOMZBLJAHYYFC-UHFFFAOYSA-N 0 1 326.400 2.929 20 5 EFBDMN CCNC(=O)C(C)(C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000453609334 312917466 /nfs/dbraw/zinc/91/74/66/312917466.db2.gz WALFRBCNSBLYEU-UHFFFAOYSA-N 0 1 331.372 2.859 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456281148 313035605 /nfs/dbraw/zinc/03/56/05/313035605.db2.gz NXMPEQWHHPNFEE-CZUORRHYSA-N 0 1 326.356 2.732 20 5 EFBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000458031592 313059229 /nfs/dbraw/zinc/05/92/29/313059229.db2.gz KNMDNAYXRTWQMO-UHFFFAOYSA-N 0 1 349.416 2.662 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000470147114 313129064 /nfs/dbraw/zinc/12/90/64/313129064.db2.gz NDVMOXCGDAYEJR-LXZTZZPZSA-N 0 1 329.400 2.584 20 5 EFBDMN CC1CCN(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000473918382 313202064 /nfs/dbraw/zinc/20/20/64/313202064.db2.gz BWTQGMJKAYQXOH-UHFFFAOYSA-N 0 1 333.432 2.766 20 5 EFBDMN Cc1c(CN[C@H](Cc2ccc(Cl)cc2)C(N)=O)cccc1[N+](=O)[O-] ZINC000479489720 313269450 /nfs/dbraw/zinc/26/94/50/313269450.db2.gz NHZSOKDVKDLOLY-OAHLLOKOSA-N 0 1 347.802 2.743 20 5 EFBDMN CC(C)CCn1ncc(Nc2ncc([N+](=O)[O-])c(N)n2)c1C(C)C ZINC000487108525 313367226 /nfs/dbraw/zinc/36/72/26/313367226.db2.gz GCIXLNCURAABQJ-UHFFFAOYSA-N 0 1 333.396 2.907 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000515531763 315625706 /nfs/dbraw/zinc/62/57/06/315625706.db2.gz VEMFCOPUWOPRMC-LRDDRELGSA-N 0 1 331.416 2.892 20 5 EFBDMN COc1ccc(OCCN2C[C@@H](C)S[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000525786402 316237567 /nfs/dbraw/zinc/23/75/67/316237567.db2.gz BAVSNKGTLYDCHZ-VXGBXAGGSA-N 0 1 326.418 2.808 20 5 EFBDMN CNc1ccc(C(=O)N2CCN(C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000531151025 317227370 /nfs/dbraw/zinc/22/73/70/317227370.db2.gz UCMCMLVTGZGPRU-UHFFFAOYSA-N 0 1 346.431 2.727 20 5 EFBDMN COc1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000531986838 317339379 /nfs/dbraw/zinc/33/93/79/317339379.db2.gz HDDWXZQKSQJLGJ-UHFFFAOYSA-N 0 1 340.339 2.718 20 5 EFBDMN CN(C)Cc1ccsc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000532044984 317346850 /nfs/dbraw/zinc/34/68/50/317346850.db2.gz LWLUPOQIFSUNLA-UHFFFAOYSA-N 0 1 349.412 2.527 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000539076770 317714689 /nfs/dbraw/zinc/71/46/89/317714689.db2.gz GGVODOBKIRRKRK-GWCFXTLKSA-N 0 1 345.321 2.717 20 5 EFBDMN COC[C@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000541594041 317782432 /nfs/dbraw/zinc/78/24/32/317782432.db2.gz NDGHIVRANSXNKO-RISCZKNCSA-N 0 1 334.376 2.966 20 5 EFBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc2N(C)C1=O ZINC000549527484 318176125 /nfs/dbraw/zinc/17/61/25/318176125.db2.gz OCXPFMLSTFJLRO-LBPRGKRZSA-N 0 1 341.367 2.920 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(N2CCN(C)[C@@H](Cc3ccccc3)C2)c1 ZINC000549552626 318177096 /nfs/dbraw/zinc/17/70/96/318177096.db2.gz HLUNGUYEBRWSQM-INIZCTEOSA-N 0 1 341.411 2.967 20 5 EFBDMN COC(=O)c1nc[nH]c1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000549695575 318180267 /nfs/dbraw/zinc/18/02/67/318180267.db2.gz ZSBQICUJXZCHOQ-UHFFFAOYSA-N 0 1 346.343 2.654 20 5 EFBDMN O=C([O-])c1coc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000565106836 318934413 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O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000011095077 471746324 /nfs/dbraw/zinc/74/63/24/471746324.db2.gz RTLRPRBRFAGYBH-UHFFFAOYSA-N 0 1 339.395 2.989 20 5 EFBDMN O=[N+]([O-])c1cc(CSc2nc(C3CC3)n[nH]2)c2c(c1)COCO2 ZINC000012992235 471810151 /nfs/dbraw/zinc/81/01/51/471810151.db2.gz QOEZJQJHBWWBDU-UHFFFAOYSA-N 0 1 334.357 2.749 20 5 EFBDMN O=[N+]([O-])c1cc(CSc2n[nH]c(C3CC3)n2)c2c(c1)COCO2 ZINC000012992235 471810154 /nfs/dbraw/zinc/81/01/54/471810154.db2.gz QOEZJQJHBWWBDU-UHFFFAOYSA-N 0 1 334.357 2.749 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(C4CC4)n[nH]3)o2)cc1 ZINC000012992229 471810910 /nfs/dbraw/zinc/81/09/10/471810910.db2.gz RMRDPKRMOVSIMJ-UHFFFAOYSA-N 0 1 344.356 2.933 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nnc(CSc3n[nH]c(C4CC4)n3)o2)cc1 ZINC000012992229 471810912 /nfs/dbraw/zinc/81/09/12/471810912.db2.gz RMRDPKRMOVSIMJ-UHFFFAOYSA-N 0 1 344.356 2.933 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)nc1 ZINC000014713207 471877771 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ZINC000056469572 472324689 /nfs/dbraw/zinc/32/46/89/472324689.db2.gz JGGNIOXHCOSCML-HNNXBMFYSA-N 0 1 340.339 2.589 20 5 EFBDMN O=C(NCCc1ccccc1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000044653124 472327846 /nfs/dbraw/zinc/32/78/46/472327846.db2.gz PVGZEAVDYUVXMT-UHFFFAOYSA-N 0 1 328.303 2.583 20 5 EFBDMN COc1cc(F)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000030530632 472337227 /nfs/dbraw/zinc/33/72/27/472337227.db2.gz DVAYOMLYTHADBT-UHFFFAOYSA-N 0 1 340.332 2.852 20 5 EFBDMN CCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000030542422 472338084 /nfs/dbraw/zinc/33/80/84/472338084.db2.gz WADVCNFOBBGWDA-INIZCTEOSA-N 0 1 343.339 2.895 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000044868654 472345755 /nfs/dbraw/zinc/34/57/55/472345755.db2.gz OYXMPTNRQMDJJP-CYBMUJFWSA-N 0 1 337.376 2.828 20 5 EFBDMN C[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCCCC1 ZINC000089204711 472391141 /nfs/dbraw/zinc/39/11/41/472391141.db2.gz JEFVEURSZUYOQV-NSHDSACASA-N 0 1 331.376 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472437704 /nfs/dbraw/zinc/43/77/04/472437704.db2.gz RFPQVQLTASRUJJ-AWEZNQCLSA-N 0 1 342.399 2.804 20 5 EFBDMN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000032585715 472444896 /nfs/dbraw/zinc/44/48/96/472444896.db2.gz SXYMDKVLKQPFQT-UHFFFAOYSA-N 0 1 349.368 2.662 20 5 EFBDMN CN(C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000154637525 472454694 /nfs/dbraw/zinc/45/46/94/472454694.db2.gz UMWMEFNYBQARRM-UHFFFAOYSA-N 0 1 349.337 2.865 20 5 EFBDMN CCOc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000045770605 472460279 /nfs/dbraw/zinc/46/02/79/472460279.db2.gz JSUOVBKQIHASLD-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN Cc1c([C@@H](C)NCCS(=O)(=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000089628523 472472420 /nfs/dbraw/zinc/47/24/20/472472420.db2.gz UVXDULVSHSIZSE-GFCCVEGCSA-N 0 1 328.434 2.767 20 5 EFBDMN C[C@H](Cc1cccs1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000033206279 472504999 /nfs/dbraw/zinc/50/49/99/472504999.db2.gz UYBHADMVLKCHPN-SECBINFHSA-N 0 1 330.369 2.894 20 5 EFBDMN CC(C)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089883294 472532392 /nfs/dbraw/zinc/53/23/92/472532392.db2.gz DYKYJDPHDVWCOV-UHFFFAOYSA-N 0 1 330.388 2.776 20 5 EFBDMN COCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCC1 ZINC000046600381 472575809 /nfs/dbraw/zinc/57/58/09/472575809.db2.gz HNMZHYODBXQPPQ-UHFFFAOYSA-N 0 1 336.388 2.852 20 5 EFBDMN CC(C)[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000071849534 472582919 /nfs/dbraw/zinc/58/29/19/472582919.db2.gz LSHAPBKURGUQNX-INIZCTEOSA-N 0 1 340.855 2.932 20 5 EFBDMN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000046708242 472588533 /nfs/dbraw/zinc/58/85/33/472588533.db2.gz YHNGYZSVTFRMOV-CQSZACIVSA-N 0 1 329.356 2.755 20 5 EFBDMN O=C(CCc1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103202372 472617741 /nfs/dbraw/zinc/61/77/41/472617741.db2.gz YYICBSYJRHHFOM-UHFFFAOYSA-N 0 1 337.339 2.951 20 5 EFBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1c1cccc(F)c1 ZINC000090518866 472628574 /nfs/dbraw/zinc/62/85/74/472628574.db2.gz CVBXKXZMHXMABK-MRXNPFEDSA-N 0 1 331.347 2.733 20 5 EFBDMN Cc1nc(C)c([C@H](C)N(C)CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000090529826 472630115 /nfs/dbraw/zinc/63/01/15/472630115.db2.gz FOPBYYCXQWUQRB-NSHDSACASA-N 0 1 336.417 2.523 20 5 EFBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc2ccccc2o1 ZINC000090551481 472633869 /nfs/dbraw/zinc/63/38/69/472633869.db2.gz OLABLJOVDXBMJK-UHFFFAOYSA-N 0 1 327.340 2.635 20 5 EFBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CCOCC1 ZINC000155919500 472640016 /nfs/dbraw/zinc/64/00/16/472640016.db2.gz QHAKBZCAANRYON-UHFFFAOYSA-N 0 1 341.795 2.545 20 5 EFBDMN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000104661139 472680693 /nfs/dbraw/zinc/68/06/93/472680693.db2.gz SQAZKUKFIJQJAF-BETUJISGSA-N 0 1 331.372 2.902 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000104684515 472683323 /nfs/dbraw/zinc/68/33/23/472683323.db2.gz CFWYLRFWQCMTAP-CQSZACIVSA-N 0 1 349.431 2.857 20 5 EFBDMN C[C@H](CN1CCN(c2ccccc2)CC1)Nc1ncccc1[N+](=O)[O-] ZINC000078307393 472694110 /nfs/dbraw/zinc/69/41/10/472694110.db2.gz YLTQNBJEFJYLIH-OAHLLOKOSA-N 0 1 341.415 2.612 20 5 EFBDMN O=C(CN1CCC[C@H]2CCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072693822 472701036 /nfs/dbraw/zinc/70/10/36/472701036.db2.gz HJPZSACFCPDPCY-CJNGLKHVSA-N 0 1 329.400 2.748 20 5 EFBDMN CC[C@@H](CSC)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000091099484 472704400 /nfs/dbraw/zinc/70/44/00/472704400.db2.gz HXPDSKNOTXDKQZ-ZDUSSCGKSA-N 0 1 337.445 2.557 20 5 EFBDMN CC[C@H](CSC)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000091099191 472704830 /nfs/dbraw/zinc/70/48/30/472704830.db2.gz WZYDVDXIPGJDME-LLVKDONJSA-N 0 1 341.433 2.615 20 5 EFBDMN CCNC(=O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072726987 472710047 /nfs/dbraw/zinc/71/00/47/472710047.db2.gz GINCESYUVFOZHG-UHFFFAOYSA-N 0 1 342.399 2.588 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc(C)c1F ZINC000072758358 472711625 /nfs/dbraw/zinc/71/16/25/472711625.db2.gz MJOLHXWGOCGUTP-UHFFFAOYSA-N 0 1 340.332 2.857 20 5 EFBDMN Cc1noc(C)c1[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000072843103 472725961 /nfs/dbraw/zinc/72/59/61/472725961.db2.gz CUSHTJUWFKTDCA-ZETCQYMHSA-N 0 1 329.316 2.567 20 5 EFBDMN C[C@@H](NC(=O)N1CCN2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000105159798 472729333 /nfs/dbraw/zinc/72/93/33/472729333.db2.gz RSCNRMAIVFLGFA-CZUORRHYSA-N 0 1 332.404 2.536 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CCC3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000072898668 472737462 /nfs/dbraw/zinc/73/74/62/472737462.db2.gz MQKJNGLXTFJCON-AWEZNQCLSA-N 0 1 347.415 2.733 20 5 EFBDMN Cc1cnc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000078660197 472750371 /nfs/dbraw/zinc/75/03/71/472750371.db2.gz IPSXZJBOBLPPQM-UHFFFAOYSA-N 0 1 328.307 2.835 20 5 EFBDMN Cc1cnc(NCc2n[nH]c(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000078660197 472750380 /nfs/dbraw/zinc/75/03/80/472750380.db2.gz IPSXZJBOBLPPQM-UHFFFAOYSA-N 0 1 328.307 2.835 20 5 EFBDMN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120882913 472762021 /nfs/dbraw/zinc/76/20/21/472762021.db2.gz GEPDZGXOGSQYCU-LBPRGKRZSA-N 0 1 341.371 2.610 20 5 EFBDMN CC(C)CN1CCO[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000078783721 472769119 /nfs/dbraw/zinc/76/91/19/472769119.db2.gz QQWGOOUWTLSEBQ-CQSZACIVSA-N 0 1 344.415 2.912 20 5 EFBDMN Cc1c(CN2CCC(C(=O)N(C)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000047925634 472782089 /nfs/dbraw/zinc/78/20/89/472782089.db2.gz IPJDILZONVWQLG-UHFFFAOYSA-N 0 1 333.432 2.982 20 5 EFBDMN Cc1c(NC(=O)CCN2CCO[C@@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000063567141 472788248 /nfs/dbraw/zinc/78/82/48/472788248.db2.gz HOJASRVGCRIZEQ-IAGOWNOFSA-N 0 1 347.415 2.875 20 5 EFBDMN CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000121063164 472792606 /nfs/dbraw/zinc/79/26/06/472792606.db2.gz SYVROTWGSJWGCR-CQSZACIVSA-N 0 1 335.404 2.541 20 5 EFBDMN O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000091797381 472809690 /nfs/dbraw/zinc/80/96/90/472809690.db2.gz HPICXSIYAVAUMJ-VIFPVBQESA-N 0 1 346.240 2.881 20 5 EFBDMN COc1ccc([C@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000157462587 472823561 /nfs/dbraw/zinc/82/35/61/472823561.db2.gz MHYWBBGUHHGFPZ-MRXNPFEDSA-N 0 1 346.387 2.646 20 5 EFBDMN CCCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000134109132 472875734 /nfs/dbraw/zinc/87/57/34/472875734.db2.gz GLJNXLAQUXBPAZ-ZDUSSCGKSA-N 0 1 332.360 2.988 20 5 EFBDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065044862 472894877 /nfs/dbraw/zinc/89/48/77/472894877.db2.gz YYJGJHAOFIOZOE-UHFFFAOYSA-N 0 1 338.283 2.707 20 5 EFBDMN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000134370669 472900278 /nfs/dbraw/zinc/90/02/78/472900278.db2.gz PUGGUYYLXZNZSN-ZDUSSCGKSA-N 0 1 343.811 2.526 20 5 EFBDMN CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092399993 472906596 /nfs/dbraw/zinc/90/65/96/472906596.db2.gz OSUIDMJJYPQBEJ-KBPBESRZSA-N 0 1 349.431 2.817 20 5 EFBDMN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092399994 472906744 /nfs/dbraw/zinc/90/67/44/472906744.db2.gz OSUIDMJJYPQBEJ-ZIAGYGMSSA-N 0 1 349.431 2.817 20 5 EFBDMN CN(C)Cc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000121786581 472914395 /nfs/dbraw/zinc/91/43/95/472914395.db2.gz GBDSPRMFFRYQRT-UHFFFAOYSA-N 0 1 345.374 2.654 20 5 EFBDMN O=C(C[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000121805682 472917807 /nfs/dbraw/zinc/91/78/07/472917807.db2.gz GUFQONNSZGCCNN-LBPRGKRZSA-N 0 1 334.401 2.590 20 5 EFBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1nc2ccc(F)cc2[nH]1 ZINC000158303799 472920365 /nfs/dbraw/zinc/92/03/65/472920365.db2.gz YCFNWTMUTRUTHK-UHFFFAOYSA-N 0 1 346.293 2.608 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)cc1[N+](=O)[O-] ZINC000121819586 472922066 /nfs/dbraw/zinc/92/20/66/472922066.db2.gz XMMPEYOGQYLQCC-SUMWQHHRSA-N 0 1 339.395 2.795 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1[N+](=O)[O-] ZINC000121819109 472922640 /nfs/dbraw/zinc/92/26/40/472922640.db2.gz XMMPEYOGQYLQCC-DYVFJYSZSA-N 0 1 339.395 2.795 20 5 EFBDMN CS[C@@H]1CCCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000134548962 472927440 /nfs/dbraw/zinc/92/74/40/472927440.db2.gz DCLSTIGCQLBBOY-HZPDHXFCSA-N 0 1 349.456 2.918 20 5 EFBDMN CCC[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCN1CCOC ZINC000121850693 472929380 /nfs/dbraw/zinc/92/93/80/472929380.db2.gz BKLDONHSRMXDJS-AWEZNQCLSA-N 0 1 339.411 2.667 20 5 EFBDMN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000134570368 472931031 /nfs/dbraw/zinc/93/10/31/472931031.db2.gz MMMCWYZHCIUIEX-UHFFFAOYSA-N 0 1 337.807 2.949 20 5 EFBDMN Cc1[nH]ncc1CCCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079966324 472950987 /nfs/dbraw/zinc/95/09/87/472950987.db2.gz KBUQHFXIBNVZCK-LLVKDONJSA-N 0 1 331.376 2.619 20 5 EFBDMN CCc1onc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000134765691 472963888 /nfs/dbraw/zinc/96/38/88/472963888.db2.gz KCEJHXHROUIWLW-UHFFFAOYSA-N 0 1 325.346 2.563 20 5 EFBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC000050008704 472974176 /nfs/dbraw/zinc/97/41/76/472974176.db2.gz ZRYUFIYNPKVQLM-UHFFFAOYSA-N 0 1 331.416 2.933 20 5 EFBDMN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COCc1ccccc1 ZINC000074289409 472978615 /nfs/dbraw/zinc/97/86/15/472978615.db2.gz OWACUNWZPVQGNU-GOSISDBHSA-N 0 1 330.384 2.604 20 5 EFBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCOC1 ZINC000107800432 472983123 /nfs/dbraw/zinc/98/31/23/472983123.db2.gz KMVCJNUZCFOACM-GFCCVEGCSA-N 0 1 332.360 2.503 20 5 EFBDMN COc1cc(C(=O)NC[C@H](c2cccs2)N(C)C)ccc1[N+](=O)[O-] ZINC000159044733 472993989 /nfs/dbraw/zinc/99/39/89/472993989.db2.gz SNPCCUDWHDDWOH-CYBMUJFWSA-N 0 1 349.412 2.698 20 5 EFBDMN CC(C)(C)NC(=O)CN1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080248129 473002978 /nfs/dbraw/zinc/00/29/78/473002978.db2.gz DWYVLWOTQSTMHC-UHFFFAOYSA-N 0 1 348.447 2.633 20 5 EFBDMN Cc1ccccc1CN1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074726299 473052442 /nfs/dbraw/zinc/05/24/42/473052442.db2.gz NSDQADMKEHREGF-UHFFFAOYSA-N 0 1 326.400 2.929 20 5 EFBDMN CN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000051506471 473052785 /nfs/dbraw/zinc/05/27/85/473052785.db2.gz KVZGEZSPNWPITD-AWEZNQCLSA-N 0 1 344.367 2.745 20 5 EFBDMN CNC(=O)c1ccc(CN(C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000051504456 473053183 /nfs/dbraw/zinc/05/31/83/473053183.db2.gz USDNNGQSSTYHIE-UHFFFAOYSA-N 0 1 343.383 2.595 20 5 EFBDMN CC(C)O[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000613535407 480028632 /nfs/dbraw/zinc/02/86/32/480028632.db2.gz CRRVLVZUYYRLIF-KBPBESRZSA-N 0 1 346.387 2.793 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000080869763 473093355 /nfs/dbraw/zinc/09/33/55/473093355.db2.gz RGYRGOQXXKSQCA-UHFFFAOYSA-N 0 1 344.302 2.549 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCCc3ccccc3C2)c1[N+](=O)[O-] ZINC000109688941 473113190 /nfs/dbraw/zinc/11/31/90/473113190.db2.gz VOPHWUKUNWXMEC-UHFFFAOYSA-N 0 1 328.372 2.859 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(OC)c(C)c2)c1[N+](=O)[O-] ZINC000109627454 473113510 /nfs/dbraw/zinc/11/35/10/473113510.db2.gz AXPAGEWXEFSXQM-UHFFFAOYSA-N 0 1 346.387 2.860 20 5 EFBDMN COc1cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093506099 473115066 /nfs/dbraw/zinc/11/50/66/473115066.db2.gz VACRZISFYRXOIP-DOMZBBRYSA-N 0 1 336.388 2.613 20 5 EFBDMN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cnccn1 ZINC000080966802 473116465 /nfs/dbraw/zinc/11/64/65/473116465.db2.gz OUQBTXMEFBKWEG-UHFFFAOYSA-N 0 1 339.355 2.714 20 5 EFBDMN COc1ccc(CN(C)CCOc2cccc([N+](=O)[O-])c2)cc1O ZINC000080975830 473121339 /nfs/dbraw/zinc/12/13/39/473121339.db2.gz TUHHPJQYGRSZHI-UHFFFAOYSA-N 0 1 332.356 2.820 20 5 EFBDMN Cc1occc1C(=O)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066890371 473170093 /nfs/dbraw/zinc/17/00/93/473170093.db2.gz MVUXEORCEWQRCE-UHFFFAOYSA-N 0 1 343.383 2.891 20 5 EFBDMN COc1ccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCCC2)cc1 ZINC000136799789 473177973 /nfs/dbraw/zinc/17/79/73/473177973.db2.gz FRUJGMXQHKGKHE-UHFFFAOYSA-N 0 1 330.344 2.526 20 5 EFBDMN COC(=O)COc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000185652543 473478530 /nfs/dbraw/zinc/47/85/30/473478530.db2.gz APQKIYNMTGURCB-CYBMUJFWSA-N 0 1 344.367 2.997 20 5 EFBDMN C[C@H](NCc1ccccc1CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000178296519 473485042 /nfs/dbraw/zinc/48/50/42/473485042.db2.gz VFNNTIJPWZEJEU-ZDUSSCGKSA-N 0 1 348.424 2.990 20 5 EFBDMN COc1cc(CN(C)C[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000178340958 473495609 /nfs/dbraw/zinc/49/56/09/473495609.db2.gz MUQPMWTVWIDOQI-JTQLQIEISA-N 0 1 346.330 2.673 20 5 EFBDMN C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1CO ZINC000191177218 473497896 /nfs/dbraw/zinc/49/78/96/473497896.db2.gz ZQGDABJQHRZPBA-IAQYHMDHSA-N 0 1 333.413 2.921 20 5 EFBDMN CCOC(=O)N1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000185783359 473512771 /nfs/dbraw/zinc/51/27/71/473512771.db2.gz OHKHSOVVGSLBTP-NSHDSACASA-N 0 1 327.768 2.569 20 5 EFBDMN COCCN(CCOc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000191247766 473518029 /nfs/dbraw/zinc/51/80/29/473518029.db2.gz RSKDTYNFZSTTNO-UHFFFAOYSA-N 0 1 331.372 2.517 20 5 EFBDMN CSCC[C@H](C)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000126485295 473520041 /nfs/dbraw/zinc/52/00/41/473520041.db2.gz LISQOMJNBYAQND-LBPRGKRZSA-N 0 1 337.445 2.557 20 5 EFBDMN CCc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000172092206 473520746 /nfs/dbraw/zinc/52/07/46/473520746.db2.gz RLWSQVHWYIFLDU-AAEUAGOBSA-N 0 1 328.372 2.899 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2cccc3n[nH]cc32)ccc1[N+](=O)[O-] ZINC000172183125 473543347 /nfs/dbraw/zinc/54/33/47/473543347.db2.gz PTYVUFLRYLUDRS-UHFFFAOYSA-N 0 1 332.341 2.580 20 5 EFBDMN COCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000172182404 473543605 /nfs/dbraw/zinc/54/36/05/473543605.db2.gz BIMISLLKHGTSEA-UHFFFAOYSA-N 0 1 336.369 2.850 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2ccc3nccnc3c2)ccc1[N+](=O)[O-] ZINC000172182941 473543890 /nfs/dbraw/zinc/54/38/90/473543890.db2.gz AJPHTNSKYJDXTE-UHFFFAOYSA-N 0 1 344.352 2.647 20 5 EFBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000152400126 473558568 /nfs/dbraw/zinc/55/85/68/473558568.db2.gz VKRDLHVNRYONBS-INIZCTEOSA-N 0 1 343.383 2.684 20 5 EFBDMN CCc1nc2c(s1)[C@H]([N@@H+](C)CCn1ccc([N+](=O)[O-])n1)CCC2 ZINC000152494047 473569601 /nfs/dbraw/zinc/56/96/01/473569601.db2.gz BQKAOLVPWJZFKG-GFCCVEGCSA-N 0 1 335.433 2.820 20 5 EFBDMN CC[N@@H+](CC(=O)[O-])C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000191993156 473599674 /nfs/dbraw/zinc/59/96/74/473599674.db2.gz HKORVFIXDFMQIX-ZDUSSCGKSA-N 0 1 335.404 2.527 20 5 EFBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000154052945 473664185 /nfs/dbraw/zinc/66/41/85/473664185.db2.gz NEEKCTVABODOJU-KRWDZBQOSA-N 0 1 346.431 2.581 20 5 EFBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000179313248 473673041 /nfs/dbraw/zinc/67/30/41/473673041.db2.gz DNPHOLGPKAPBSR-UHFFFAOYSA-N 0 1 337.339 2.652 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)[C@](C)(N)c2ccccc2)cc1[N+](=O)[O-] ZINC000192507584 473687233 /nfs/dbraw/zinc/68/72/33/473687233.db2.gz UOLKUQHTCREYCZ-FZKQIMNGSA-N 0 1 327.384 2.955 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000269156839 473712201 /nfs/dbraw/zinc/71/22/01/473712201.db2.gz QVVAVDWIYRRWPN-CHWSQXEVSA-N 0 1 348.403 2.770 20 5 EFBDMN CN(C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000172981469 473719298 /nfs/dbraw/zinc/71/92/98/473719298.db2.gz GJVKHOWVVSFIAF-KRWDZBQOSA-N 0 1 345.374 2.696 20 5 EFBDMN CCCO[C@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269462353 473818642 /nfs/dbraw/zinc/81/86/42/473818642.db2.gz SLDZGCSNMVUWJH-LBPRGKRZSA-N 0 1 338.408 2.863 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000269495638 473825052 /nfs/dbraw/zinc/82/50/52/473825052.db2.gz MEDSYRBDCBPDBC-WDEREUQCSA-N 0 1 338.433 2.942 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000269538037 473826947 /nfs/dbraw/zinc/82/69/47/473826947.db2.gz UQBABQLAKKOOAG-RYUDHWBXSA-N 0 1 348.403 2.805 20 5 EFBDMN CS[C@@H]1CCCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269548968 473831276 /nfs/dbraw/zinc/83/12/76/473831276.db2.gz YYQIYGBZEVWOIU-SNVBAGLBSA-N 0 1 326.422 2.799 20 5 EFBDMN CO[C@@]1(C)C[C@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1(C)C ZINC000269556897 473832977 /nfs/dbraw/zinc/83/29/77/473832977.db2.gz ZLDCXKNUDLWSOI-QFYYESIMSA-N 0 1 338.408 2.717 20 5 EFBDMN Cc1[nH]nc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)c1[N+](=O)[O-] ZINC000269573414 473836414 /nfs/dbraw/zinc/83/64/14/473836414.db2.gz BUCNRWRFVSVORD-UHFFFAOYSA-N 0 1 343.387 2.850 20 5 EFBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC1(O)CCCCCC1 ZINC000187321366 473857244 /nfs/dbraw/zinc/85/72/44/473857244.db2.gz RPUWYYGWEDKYAD-AWEZNQCLSA-N 0 1 349.431 2.939 20 5 EFBDMN Cc1c(CN2CCC([C@H](O)c3nccn3C)CC2)cccc1[N+](=O)[O-] ZINC000269701396 473867483 /nfs/dbraw/zinc/86/74/83/473867483.db2.gz LZOPXBRSVOWSHG-KRWDZBQOSA-N 0 1 344.415 2.582 20 5 EFBDMN O=C(CCN1CCOC2(CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000173580162 473882042 /nfs/dbraw/zinc/88/20/42/473882042.db2.gz MVJFKFMQLZSYJS-UHFFFAOYSA-N 0 1 347.415 2.959 20 5 EFBDMN COc1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000246619689 473917419 /nfs/dbraw/zinc/91/74/19/473917419.db2.gz QLBWLWZICNVXRE-XJKSGUPXSA-N 0 1 330.388 2.883 20 5 EFBDMN COc1ccc(OCCN2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000173769993 473928185 /nfs/dbraw/zinc/92/81/85/473928185.db2.gz MDVDDENDEXUZQP-NEPJUHHUSA-N 0 1 326.418 2.808 20 5 EFBDMN CN(Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000288408513 473933791 /nfs/dbraw/zinc/93/37/91/473933791.db2.gz NEJFHNNAQJFSFX-UHFFFAOYSA-N 0 1 325.368 2.551 20 5 EFBDMN CCN(C)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000264037761 473946167 /nfs/dbraw/zinc/94/61/67/473946167.db2.gz OWTCUPZXZPMCNC-SFHVURJKSA-N 0 1 341.411 2.947 20 5 EFBDMN CCN(CC)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccco1 ZINC000180714883 473948994 /nfs/dbraw/zinc/94/89/94/473948994.db2.gz NNXHJQOGNINSOB-AWEZNQCLSA-N 0 1 346.387 2.583 20 5 EFBDMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246885290 473992748 /nfs/dbraw/zinc/99/27/48/473992748.db2.gz IIWSUUNSSNDXOD-XHDPSFHLSA-N 0 1 337.807 2.805 20 5 EFBDMN C[C@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181545320 474047229 /nfs/dbraw/zinc/04/72/29/474047229.db2.gz SGROEXFFDWIEPA-RYUDHWBXSA-N 0 1 329.356 2.978 20 5 EFBDMN C[C@H](C(=O)N1CCC(C)CC1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282394324 474047884 /nfs/dbraw/zinc/04/78/84/474047884.db2.gz HCZZSQZYMOVKKR-OAHLLOKOSA-N 0 1 333.432 2.716 20 5 EFBDMN CC(=O)NCCN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC000282468271 474076522 /nfs/dbraw/zinc/07/65/22/474076522.db2.gz KNJFIIBWKXWPBA-UHFFFAOYSA-N 0 1 347.440 2.837 20 5 EFBDMN CCC(CC)(CCO)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000282506685 474092205 /nfs/dbraw/zinc/09/22/05/474092205.db2.gz RNNBVLRMKNRFSH-UHFFFAOYSA-N 0 1 334.376 2.676 20 5 EFBDMN Cc1cc([C@H]2CCCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000282528165 474099090 /nfs/dbraw/zinc/09/90/90/474099090.db2.gz VDZPNBLNPSRJGY-AWEZNQCLSA-N 0 1 343.387 2.716 20 5 EFBDMN Cc1cc([C@@H]2CCCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000282528171 474099607 /nfs/dbraw/zinc/09/96/07/474099607.db2.gz VDZPNBLNPSRJGY-CQSZACIVSA-N 0 1 343.387 2.716 20 5 EFBDMN O=C(N[C@H]1CCCC12CCOCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000282529347 474099707 /nfs/dbraw/zinc/09/97/07/474099707.db2.gz PHDHEHYXLZWNJG-AWEZNQCLSA-N 0 1 344.371 2.550 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCCc3nc(C)sc32)c1[N+](=O)[O-] ZINC000188472362 474104069 /nfs/dbraw/zinc/10/40/69/474104069.db2.gz GLFQRMCDCMZVNB-LLVKDONJSA-N 0 1 349.416 2.795 20 5 EFBDMN CCc1nn(C)c(Nc2cccc(N3CCC[NH+]=C3[O-])c2)c1[N+](=O)[O-] ZINC000288985035 474111136 /nfs/dbraw/zinc/11/11/36/474111136.db2.gz VKXBUPAWRKPPNQ-UHFFFAOYSA-N 0 1 344.375 2.554 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc2n[nH]cc21 ZINC000175007587 474129584 /nfs/dbraw/zinc/12/95/84/474129584.db2.gz ZFOJTIZSNQGVSE-UHFFFAOYSA-N 0 1 346.368 2.889 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCc3c(F)cccc3C2)c1[N+](=O)[O-] ZINC000270475796 474132461 /nfs/dbraw/zinc/13/24/61/474132461.db2.gz NRMRBZDZKKZHHF-UHFFFAOYSA-N 0 1 332.335 2.779 20 5 EFBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(COc3ccccc3)n2)s1 ZINC000613700091 480082669 /nfs/dbraw/zinc/08/26/69/480082669.db2.gz FUWDKVUONXGXKQ-UHFFFAOYSA-N 0 1 331.357 2.966 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 ZINC000270605851 474187160 /nfs/dbraw/zinc/18/71/60/474187160.db2.gz DOOLMISKCRZQOV-MRVPVSSYSA-N 0 1 345.384 2.981 20 5 EFBDMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc([N+](=O)[O-])o3)C1)CCCC2 ZINC000275448841 474189880 /nfs/dbraw/zinc/18/98/80/474189880.db2.gz WAEVJSZMVHBAQE-GFCCVEGCSA-N 0 1 344.371 2.659 20 5 EFBDMN CC[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000247744756 474206685 /nfs/dbraw/zinc/20/66/85/474206685.db2.gz XUDBRRYIZXEWBM-TZMCWYRMSA-N 0 1 335.404 2.731 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000270669181 474213455 /nfs/dbraw/zinc/21/34/55/474213455.db2.gz OOSXDRNTPMHVII-MNOVXSKESA-N 0 1 346.391 2.705 20 5 EFBDMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000182642735 474223821 /nfs/dbraw/zinc/22/38/21/474223821.db2.gz SYRRLKPXHWSREA-ZDUSSCGKSA-N 0 1 343.383 2.551 20 5 EFBDMN Cc1cccc(NCc2ccc(N3CCN(C)CC3)nc2)c1[N+](=O)[O-] ZINC000275531144 474224801 /nfs/dbraw/zinc/22/48/01/474224801.db2.gz YBXYWASFZFBCBJ-UHFFFAOYSA-N 0 1 341.415 2.662 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)C=Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000270750918 474249233 /nfs/dbraw/zinc/24/92/33/474249233.db2.gz MWKNYOUTCAPEJF-ANYFNZRUSA-N 0 1 329.360 2.727 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000270797990 474271337 /nfs/dbraw/zinc/27/13/37/474271337.db2.gz WDHHBKCBGWDSKY-NSHDSACASA-N 0 1 346.391 2.516 20 5 EFBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]nnc2c1 ZINC000175833590 474320312 /nfs/dbraw/zinc/32/03/12/474320312.db2.gz ICOLXQRLOJAYQM-UHFFFAOYSA-N 0 1 340.343 2.697 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCC([C@H]3CCCO3)CC2)c2c(c1)COCO2 ZINC000189196922 474322254 /nfs/dbraw/zinc/32/22/54/474322254.db2.gz PCCOISYMYYBFFU-QGZVFWFLSA-N 0 1 348.399 2.852 20 5 EFBDMN COC[C@@H]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000265773494 474331799 /nfs/dbraw/zinc/33/17/99/474331799.db2.gz JCBHCDIZEJWNFH-NWDGAFQWSA-N 0 1 332.360 2.674 20 5 EFBDMN C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248475241 474336539 /nfs/dbraw/zinc/33/65/39/474336539.db2.gz XQHDITZMMRJCME-GOEBONIOSA-N 0 1 342.395 2.954 20 5 EFBDMN C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248475240 474336626 /nfs/dbraw/zinc/33/66/26/474336626.db2.gz XQHDITZMMRJCME-GDBMZVCRSA-N 0 1 342.395 2.954 20 5 EFBDMN CC1(C)[C@@H](O)C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000189324774 474359486 /nfs/dbraw/zinc/35/94/86/474359486.db2.gz ROUKGUQHNQGBLN-KBPBESRZSA-N 0 1 333.413 2.967 20 5 EFBDMN CC1(C)[C@H](O)C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000189324796 474360086 /nfs/dbraw/zinc/36/00/86/474360086.db2.gz ROUKGUQHNQGBLN-ZIAGYGMSSA-N 0 1 333.413 2.967 20 5 EFBDMN COc1cc(CNC[C@@H](c2ccco2)N(C)C)c([N+](=O)[O-])cc1OC ZINC000237266507 474370527 /nfs/dbraw/zinc/37/05/27/474370527.db2.gz DXZWUYLWNYPRRC-AWEZNQCLSA-N 0 1 349.387 2.598 20 5 EFBDMN CN(C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000183575915 474394777 /nfs/dbraw/zinc/39/47/77/474394777.db2.gz YXVKUBPDDSGLAS-CQSZACIVSA-N 0 1 347.350 2.553 20 5 EFBDMN O=[N+]([O-])c1ccn(CCN(Cc2cccc(F)c2)C[C@@H]2CCCO2)n1 ZINC000176221072 474413848 /nfs/dbraw/zinc/41/38/48/474413848.db2.gz AETCIWIUJAPVSS-INIZCTEOSA-N 0 1 348.378 2.612 20 5 EFBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC2(CCOCC2)C1 ZINC000265987115 474415125 /nfs/dbraw/zinc/41/51/25/474415125.db2.gz DPUBXRRGFOSBIM-AWEZNQCLSA-N 0 1 347.415 2.814 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCS[C@H]2CCCC[C@H]21 ZINC000176235543 474416607 /nfs/dbraw/zinc/41/66/07/474416607.db2.gz QNBIZEJMWPGFRW-KGLIPLIRSA-N 0 1 346.412 2.971 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000176234419 474416790 /nfs/dbraw/zinc/41/67/90/474416790.db2.gz XFVSCZPLAKHRQR-RYUDHWBXSA-N 0 1 338.433 2.771 20 5 EFBDMN Cc1ccc([C@@H]2CSCCN2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176247655 474419811 /nfs/dbraw/zinc/41/98/11/474419811.db2.gz QAHTZQFNPZXVPT-HNNXBMFYSA-N 0 1 332.429 2.890 20 5 EFBDMN C[C@]1(CCCO)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000271196843 474437420 /nfs/dbraw/zinc/43/74/20/474437420.db2.gz OQWSUGCTDMGNEG-QGZVFWFLSA-N 0 1 346.387 2.772 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000276187682 474444922 /nfs/dbraw/zinc/44/49/22/474444922.db2.gz UOFXHZOUNVNAQG-JTQLQIEISA-N 0 1 331.376 2.890 20 5 EFBDMN Cc1ccc(NCCCNC(=O)[C@@H](N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000237667440 474453529 /nfs/dbraw/zinc/45/35/29/474453529.db2.gz IOHFXCHRMXCKTD-KRWDZBQOSA-N 0 1 342.399 2.521 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000283644299 474457061 /nfs/dbraw/zinc/45/70/61/474457061.db2.gz NXTSXRYYRKRURR-OAHLLOKOSA-N 0 1 343.387 2.579 20 5 EFBDMN COC(=O)CCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC(C)C ZINC000184258122 474491246 /nfs/dbraw/zinc/49/12/46/474491246.db2.gz JIJMBXKPFHLQAG-UHFFFAOYSA-N 0 1 342.367 2.764 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289973324 474509295 /nfs/dbraw/zinc/50/92/95/474509295.db2.gz RGZFGVJLIIOWED-CYBMUJFWSA-N 0 1 336.779 2.771 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289973328 474509698 /nfs/dbraw/zinc/50/96/98/474509698.db2.gz RGZFGVJLIIOWED-ZDUSSCGKSA-N 0 1 336.779 2.771 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(CC2CC2)CC1 ZINC000276385394 474520748 /nfs/dbraw/zinc/52/07/48/474520748.db2.gz HIWWGTFLEAGOJG-UHFFFAOYSA-N 0 1 332.404 2.771 20 5 EFBDMN C[C@@H](CO)N(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1 ZINC000276485568 474561260 /nfs/dbraw/zinc/56/12/60/474561260.db2.gz UCSVWWNJEISOAA-LBPRGKRZSA-N 0 1 346.387 2.770 20 5 EFBDMN COc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000272860260 474627369 /nfs/dbraw/zinc/62/73/69/474627369.db2.gz RYBXYWSEFSBXNW-UHFFFAOYSA-N 0 1 348.403 2.696 20 5 EFBDMN Cc1cc(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000273019524 474674571 /nfs/dbraw/zinc/67/45/71/474674571.db2.gz RWFUMKIYLZWFBK-KRWDZBQOSA-N 0 1 330.388 2.539 20 5 EFBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCCCS1 ZINC000273047910 474690949 /nfs/dbraw/zinc/69/09/49/474690949.db2.gz HJDZPEHORAINFT-NSHDSACASA-N 0 1 333.373 2.604 20 5 EFBDMN CC(C)[C@H]1[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000291796121 474691448 /nfs/dbraw/zinc/69/14/48/474691448.db2.gz AHDBNTHIBFNIJI-RHSMWYFYSA-N 0 1 334.416 2.845 20 5 EFBDMN CCN(CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000278546208 474693333 /nfs/dbraw/zinc/69/33/33/474693333.db2.gz SRFYXPTWJYVSOA-UHFFFAOYSA-N 0 1 345.321 2.714 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000609163253 480120779 /nfs/dbraw/zinc/12/07/79/480120779.db2.gz HKKCRKMTUVTSSO-CYBMUJFWSA-N 0 1 329.360 2.779 20 5 EFBDMN C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000284679316 474718525 /nfs/dbraw/zinc/71/85/25/474718525.db2.gz GXRBBKFRKNIRKT-HXUWFJFHSA-N 0 1 339.439 2.996 20 5 EFBDMN C[C@@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CN1C1CC1 ZINC000267974058 474731749 /nfs/dbraw/zinc/73/17/49/474731749.db2.gz NBIIRAXATYLQOY-ZYHUDNBSSA-N 0 1 329.356 2.696 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000344421118 474739657 /nfs/dbraw/zinc/73/96/57/474739657.db2.gz GXXKOVPFRYGCNC-XQQFMLRXSA-N 0 1 337.395 2.779 20 5 EFBDMN CCOC(=O)CCN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338954433 474774958 /nfs/dbraw/zinc/77/49/58/474774958.db2.gz PMVRLZKRDFZYPO-UHFFFAOYSA-N 0 1 334.294 2.999 20 5 EFBDMN Cc1nc([C@H](C)NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC000291970764 474781604 /nfs/dbraw/zinc/78/16/04/474781604.db2.gz WDCUZIMMTLMCBF-YFKPBYRVSA-N 0 1 344.158 2.819 20 5 EFBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000268107540 474802417 /nfs/dbraw/zinc/80/24/17/474802417.db2.gz DGTMKLFQVVQOTA-HNNXBMFYSA-N 0 1 343.358 2.738 20 5 EFBDMN CCOc1cc(CN2CCCC[C@H]2CC(=O)OC)ccc1[N+](=O)[O-] ZINC000617196423 480127010 /nfs/dbraw/zinc/12/70/10/480127010.db2.gz DSAXFORQYPUXNN-AWEZNQCLSA-N 0 1 336.388 2.911 20 5 EFBDMN COCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000340960943 474821832 /nfs/dbraw/zinc/82/18/32/474821832.db2.gz RJDMCYRJCFFJCO-UHFFFAOYSA-N 0 1 336.369 2.850 20 5 EFBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@@H]2OC(F)F)c2c(c1)COCO2 ZINC000337279002 474853134 /nfs/dbraw/zinc/85/31/34/474853134.db2.gz GJIPMMLVMRNHRV-OLZOCXBDSA-N 0 1 344.314 2.711 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000273388605 474874771 /nfs/dbraw/zinc/87/47/71/474874771.db2.gz JNSYUZPGUDAVLX-MRVPVSSYSA-N 0 1 336.327 2.858 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccoc1 ZINC000345088455 474879926 /nfs/dbraw/zinc/87/99/26/474879926.db2.gz CPSQALZOYSVKAO-UHFFFAOYSA-N 0 1 333.344 2.657 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000339053507 474882064 /nfs/dbraw/zinc/88/20/64/474882064.db2.gz AVIRARHSEWOESA-QWHCGFSZSA-N 0 1 334.294 2.578 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](CO)CC1 ZINC000293250842 474892295 /nfs/dbraw/zinc/89/22/95/474892295.db2.gz TZCDSDOIAXRMPS-STQMWFEESA-N 0 1 346.387 2.800 20 5 EFBDMN C[C@@H](Cc1cccs1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319481418 474901332 /nfs/dbraw/zinc/90/13/32/474901332.db2.gz SRYJUAMSLUWVPH-VIFPVBQESA-N 0 1 344.389 2.705 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000339074435 474904730 /nfs/dbraw/zinc/90/47/30/474904730.db2.gz MLYHTGXIPOWYAP-UHFFFAOYSA-N 0 1 328.324 2.808 20 5 EFBDMN C[C@@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000320021503 474906109 /nfs/dbraw/zinc/90/61/09/474906109.db2.gz HELSMUAOVJDMIW-MNOVXSKESA-N 0 1 330.381 2.981 20 5 EFBDMN CC1CCC(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000319994677 474906576 /nfs/dbraw/zinc/90/65/76/474906576.db2.gz FNYMYKAICAGKLI-UHFFFAOYSA-N 0 1 330.381 2.839 20 5 EFBDMN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000292218673 474909872 /nfs/dbraw/zinc/90/98/72/474909872.db2.gz UVLYFGXVFSHWNV-ZYHUDNBSSA-N 0 1 345.321 2.626 20 5 EFBDMN CC(C)(NC[C@@H](O)COc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000292218361 474909970 /nfs/dbraw/zinc/90/99/70/474909970.db2.gz USZRSWTVUWSVKI-CYBMUJFWSA-N 0 1 348.374 2.999 20 5 EFBDMN COc1ccc([C@H](CCO)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285168122 474915635 /nfs/dbraw/zinc/91/56/35/474915635.db2.gz MTUITLLHJCCWLJ-SJCJKPOMSA-N 0 1 345.399 2.960 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCCCCO ZINC000278960030 474942760 /nfs/dbraw/zinc/94/27/60/474942760.db2.gz WRQKSWLDIPZYJL-LBPRGKRZSA-N 0 1 334.376 2.800 20 5 EFBDMN Cc1c(CN[C@@H](C(N)=O)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000292345812 474975119 /nfs/dbraw/zinc/97/51/19/474975119.db2.gz XETOKZJSHLQQNM-SUMWQHHRSA-N 0 1 327.384 2.650 20 5 EFBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339158794 474985597 /nfs/dbraw/zinc/98/55/97/474985597.db2.gz VBFDZDDBZYSAGL-SECBINFHSA-N 0 1 343.305 2.580 20 5 EFBDMN COc1cccc(C=C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000268456716 474990378 /nfs/dbraw/zinc/99/03/78/474990378.db2.gz JVHCXLXXFQUKMK-UHFFFAOYSA-N 0 1 342.399 2.979 20 5 EFBDMN Cc1ccc([C@H](C)N[C@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000326940612 475013883 /nfs/dbraw/zinc/01/38/83/475013883.db2.gz XQANVLUEHYEJMN-BBRMVZONSA-N 0 1 344.415 2.820 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000261700019 475031072 /nfs/dbraw/zinc/03/10/72/475031072.db2.gz ORKWVVMHSSFYOT-GLQYFDAESA-N 0 1 334.372 2.821 20 5 EFBDMN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCCC1 ZINC000341462601 475061268 /nfs/dbraw/zinc/06/12/68/475061268.db2.gz NDZSXOWAPUYCGD-CYBMUJFWSA-N 0 1 343.383 2.955 20 5 EFBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000339231578 475061678 /nfs/dbraw/zinc/06/16/78/475061678.db2.gz DMXPFGPPIFDPEU-UHFFFAOYSA-N 0 1 328.250 2.609 20 5 EFBDMN CCS(=O)(=O)c1cccc(CNCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000341502374 475096204 /nfs/dbraw/zinc/09/62/04/475096204.db2.gz GHSURPSUDFSJLJ-UHFFFAOYSA-N 0 1 348.424 2.987 20 5 EFBDMN Nc1ncc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000261931301 475118641 /nfs/dbraw/zinc/11/86/41/475118641.db2.gz CTDIHWJXJXOEFF-UHFFFAOYSA-N 0 1 334.401 2.677 20 5 EFBDMN CSc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000269009643 475126458 /nfs/dbraw/zinc/12/64/58/475126458.db2.gz SIWJKCMOHKMIFM-LLVKDONJSA-N 0 1 332.385 2.847 20 5 EFBDMN C[C@@H]1[C@H](C)SCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295945314 475138922 /nfs/dbraw/zinc/13/89/22/475138922.db2.gz TZYKNUKGDPOVCH-MNOVXSKESA-N 0 1 346.412 2.951 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269043196 475142564 /nfs/dbraw/zinc/14/25/64/475142564.db2.gz YRJIVGHJZYTKDR-HZMBPMFUSA-N 0 1 346.412 2.992 20 5 EFBDMN Cc1c([C@@H](C)NCC2(S(C)(=O)=O)CCC2)cccc1[N+](=O)[O-] ZINC000281267184 475143606 /nfs/dbraw/zinc/14/36/06/475143606.db2.gz WTRHSJFJVGXGNH-GFCCVEGCSA-N 0 1 326.418 2.521 20 5 EFBDMN O=C(CCN1C[C@]2(CCCO2)[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000295962367 475145226 /nfs/dbraw/zinc/14/52/26/475145226.db2.gz JFXUKZRTGMUIKH-QZTJIDSGSA-N 0 1 345.399 2.567 20 5 EFBDMN CCCc1[nH]nc(C(=O)Nc2ccc3nc(C)[nH]c3c2)c1[N+](=O)[O-] ZINC000345390643 475152730 /nfs/dbraw/zinc/15/27/30/475152730.db2.gz OCHFZIHYLTTWCR-UHFFFAOYSA-N 0 1 328.332 2.707 20 5 EFBDMN CO[C@@H]1[C@@H](C)[C@@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000296009091 475164999 /nfs/dbraw/zinc/16/49/99/475164999.db2.gz MLUAKFWHSGLCDC-COLVAYQJSA-N 0 1 346.387 2.794 20 5 EFBDMN CC(C)C[C@H](N)c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000339385345 475182059 /nfs/dbraw/zinc/18/20/59/475182059.db2.gz NVDDPTYDVJLPFJ-ZDUSSCGKSA-N 0 1 342.359 2.876 20 5 EFBDMN O=C(NCc1n[nH]c(C2CC2)n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000296065494 475185116 /nfs/dbraw/zinc/18/51/16/475185116.db2.gz BBERCVBALBAAST-UHFFFAOYSA-N 0 1 336.739 2.565 20 5 EFBDMN CC(C)C[C@H](N)c1noc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000339389398 475186171 /nfs/dbraw/zinc/18/61/71/475186171.db2.gz PPPPUKNAYSRWFK-GWCFXTLKSA-N 0 1 347.375 2.515 20 5 EFBDMN CCN(C)C(=O)[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000296190910 475219695 /nfs/dbraw/zinc/21/96/95/475219695.db2.gz IWUSZBWEBAWMBM-AWEZNQCLSA-N 0 1 327.812 2.841 20 5 EFBDMN CNc1c(C(=O)N2CCN(CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000361163054 475234691 /nfs/dbraw/zinc/23/46/91/475234691.db2.gz WIGFDLAHVDYWCC-UHFFFAOYSA-N 0 1 348.447 2.831 20 5 EFBDMN CNc1c(C(=O)NCc2nc3ccc(C)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000361212306 475273672 /nfs/dbraw/zinc/27/36/72/475273672.db2.gz TZULJGAWKVTBFW-UHFFFAOYSA-N 0 1 339.355 2.751 20 5 EFBDMN COc1ccc2c(c1)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 ZINC000345576673 475277747 /nfs/dbraw/zinc/27/77/47/475277747.db2.gz QYEIFNPJLHEQJB-HNNXBMFYSA-N 0 1 344.323 2.563 20 5 EFBDMN NC(=O)c1ccc(CN[C@H](c2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000341853375 475359090 /nfs/dbraw/zinc/35/90/90/475359090.db2.gz NAKLINLARMPLJA-HNNXBMFYSA-N 0 1 331.397 2.996 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000296541957 475362526 /nfs/dbraw/zinc/36/25/26/475362526.db2.gz GGHIWDOHGJOZIF-UHFFFAOYSA-N 0 1 330.348 2.529 20 5 EFBDMN CCc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000345683704 475362899 /nfs/dbraw/zinc/36/28/99/475362899.db2.gz LDZCKEXEFSGLEB-HNNXBMFYSA-N 0 1 332.385 2.768 20 5 EFBDMN O=C(CN1CC[C@H](CC2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000339675601 475399044 /nfs/dbraw/zinc/39/90/44/475399044.db2.gz DYIYYGVYSNLZCD-CQSZACIVSA-N 0 1 329.400 2.606 20 5 EFBDMN Cc1cc(F)c(NC(=O)NCc2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000296673420 475424141 /nfs/dbraw/zinc/42/41/41/475424141.db2.gz HVOVHAQOFUFKPC-UHFFFAOYSA-N 0 1 336.327 2.606 20 5 EFBDMN O=[N+]([O-])c1cccc(SCC2=Nc3ccccc3S(=O)(=O)N2)c1 ZINC000337915420 475428889 /nfs/dbraw/zinc/42/88/89/475428889.db2.gz OWOMOWZMPYBGQX-UHFFFAOYSA-N 0 1 349.393 2.709 20 5 EFBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCNC(=O)CC1 ZINC000296686842 475429068 /nfs/dbraw/zinc/42/90/68/475429068.db2.gz CDPLAXRAZFJJIE-NSHDSACASA-N 0 1 325.796 2.596 20 5 EFBDMN CC(C)[C@@]1(CO)CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339706648 475429800 /nfs/dbraw/zinc/42/98/00/475429800.db2.gz VTJBCCSNVDUYTA-KSSFIOAISA-N 0 1 349.431 2.652 20 5 EFBDMN C[C@H](NCC(=O)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000296701723 475439009 /nfs/dbraw/zinc/43/90/09/475439009.db2.gz LAXAEGXLWSFGHY-LBPRGKRZSA-N 0 1 345.424 2.892 20 5 EFBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000345778190 475442988 /nfs/dbraw/zinc/44/29/88/475442988.db2.gz LEOMHAFAWVTKMK-WMLDXEAASA-N 0 1 348.447 2.998 20 5 EFBDMN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000354830031 475443486 /nfs/dbraw/zinc/44/34/86/475443486.db2.gz JJVQVFULIFSRBX-QWHCGFSZSA-N 0 1 345.374 2.903 20 5 EFBDMN CCOc1ccc([C@@H](C)N[C@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000358152872 475444268 /nfs/dbraw/zinc/44/42/68/475444268.db2.gz LEDVLEPNJRPEBS-OCCSQVGLSA-N 0 1 335.404 2.653 20 5 EFBDMN CC(C)c1nc(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)n[nH]1 ZINC000296749701 475459821 /nfs/dbraw/zinc/45/98/21/475459821.db2.gz NUEYBMLRWPHZAZ-UHFFFAOYSA-N 0 1 338.755 2.811 20 5 EFBDMN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]2C ZINC000332002251 475481663 /nfs/dbraw/zinc/48/16/63/475481663.db2.gz PZUNRDUFIRLDIK-MWLCHTKSSA-N 0 1 344.371 2.783 20 5 EFBDMN O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000352652783 475494427 /nfs/dbraw/zinc/49/44/27/475494427.db2.gz ONDRMMYITGNKFN-SNVBAGLBSA-N 0 1 342.277 2.784 20 5 EFBDMN COC(=O)c1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000348263306 475539048 /nfs/dbraw/zinc/53/90/48/475539048.db2.gz SHUZOFBRJISRCX-UHFFFAOYSA-N 0 1 331.372 2.745 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000296961308 475555024 /nfs/dbraw/zinc/55/50/24/475555024.db2.gz WJCMVDFBNMADIL-GFCCVEGCSA-N 0 1 336.392 2.551 20 5 EFBDMN CCN(C[C@H](C)OC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361572076 475557660 /nfs/dbraw/zinc/55/76/60/475557660.db2.gz CGPJEUVTTUEZPU-QWRGUYRKSA-N 0 1 343.811 2.932 20 5 EFBDMN COC(=O)COc1ccc(CN2CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000354976933 475574141 /nfs/dbraw/zinc/57/41/41/475574141.db2.gz HRDNXPDFEWFFFR-UHFFFAOYSA-N 0 1 336.388 2.769 20 5 EFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C2CCOCC2)C1 ZINC000332259836 475578643 /nfs/dbraw/zinc/57/86/43/475578643.db2.gz AXXUWPXEXAGPIZ-HIFRSBDPSA-N 0 1 347.415 2.670 20 5 EFBDMN COc1cccc(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)c1[N+](=O)[O-] ZINC000332266213 475581018 /nfs/dbraw/zinc/58/10/18/475581018.db2.gz BWMXXMLGIMCXPI-LBPRGKRZSA-N 0 1 344.371 2.655 20 5 EFBDMN CO[C@@]1(C)CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000332280969 475585273 /nfs/dbraw/zinc/58/52/73/475585273.db2.gz DMGKZYOKLRAROZ-KRWDZBQOSA-N 0 1 335.404 2.733 20 5 EFBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000332345596 475608284 /nfs/dbraw/zinc/60/82/84/475608284.db2.gz YEUIXQBCKHEFGX-DZGCQCFKSA-N 0 1 347.415 2.670 20 5 EFBDMN C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1CO ZINC000361658576 475636944 /nfs/dbraw/zinc/63/69/44/475636944.db2.gz XXVBPIFBQOLWOP-DGCLKSJQSA-N 0 1 333.413 2.779 20 5 EFBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000332434649 475637728 /nfs/dbraw/zinc/63/77/28/475637728.db2.gz ZWXGWOZULVHAPO-UHFFFAOYSA-N 0 1 336.367 2.826 20 5 EFBDMN CCCOc1ccc(C(C)(C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000358389952 475639968 /nfs/dbraw/zinc/63/99/68/475639968.db2.gz MTAZQOBSXAJKPQ-UHFFFAOYSA-N 0 1 332.360 2.772 20 5 EFBDMN CCCN1CCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000353125428 475700488 /nfs/dbraw/zinc/70/04/88/475700488.db2.gz LCFOPABOALTNMR-AWEZNQCLSA-N 0 1 337.420 2.576 20 5 EFBDMN Cc1cc([C@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000338244861 475707723 /nfs/dbraw/zinc/70/77/23/475707723.db2.gz GDYRDFRNQDKIMA-ZDUSSCGKSA-N 0 1 346.362 2.714 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CCO2 ZINC000358490797 475720083 /nfs/dbraw/zinc/72/00/83/475720083.db2.gz IIQFAVXQPPPQFY-UHFFFAOYSA-N 0 1 334.353 2.639 20 5 EFBDMN Cc1[nH]nc(C(=O)N(C)Cc2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000343050130 475721275 /nfs/dbraw/zinc/72/12/75/475721275.db2.gz XOAURPMXHZCRHD-UHFFFAOYSA-N 0 1 326.715 2.691 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000348534109 475733859 /nfs/dbraw/zinc/73/38/59/475733859.db2.gz OXIKQCBOIQZGFG-GDBMZVCRSA-N 0 1 330.388 2.556 20 5 EFBDMN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000361787490 475753918 /nfs/dbraw/zinc/75/39/18/475753918.db2.gz NOZQIRMPWGCGIU-SNVBAGLBSA-N 0 1 345.321 2.780 20 5 EFBDMN O=C(NCc1n[nH]c(C2CC2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000297483887 475775445 /nfs/dbraw/zinc/77/54/45/475775445.db2.gz OYCSGISYFUGECE-UHFFFAOYSA-N 0 1 336.739 2.565 20 5 EFBDMN C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297544080 475800617 /nfs/dbraw/zinc/80/06/17/475800617.db2.gz JCZOLLYUXZDMGR-WWGRRREGSA-N 0 1 334.420 2.637 20 5 EFBDMN COC(=O)c1oc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc1C ZINC000338349782 475812286 /nfs/dbraw/zinc/81/22/86/475812286.db2.gz IFPJOXPIUQKHIT-UHFFFAOYSA-N 0 1 332.356 2.957 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338359520 475824092 /nfs/dbraw/zinc/82/40/92/475824092.db2.gz OBCBCDJETSHBIF-QWHCGFSZSA-N 0 1 345.403 2.984 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C ZINC000346768213 475840927 /nfs/dbraw/zinc/84/09/27/475840927.db2.gz JQEJWGAHICUBLG-QWHCGFSZSA-N 0 1 342.399 2.698 20 5 EFBDMN CCNc1ccc(C(=O)N2C[C@H](C)N(CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346769709 475842644 /nfs/dbraw/zinc/84/26/44/475842644.db2.gz KXJAJOJNGKROJG-STQMWFEESA-N 0 1 334.420 2.581 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340211448 475861119 /nfs/dbraw/zinc/86/11/19/475861119.db2.gz XFHZZVLPUAKYDM-KGLIPLIRSA-N 0 1 348.321 2.751 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340210993 475861458 /nfs/dbraw/zinc/86/14/58/475861458.db2.gz OQDWHGBNAMAJCJ-ZIAGYGMSSA-N 0 1 348.321 2.751 20 5 EFBDMN Cc1c([C@@H](C)NC[C@@H]2CCCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000346805335 475874005 /nfs/dbraw/zinc/87/40/05/475874005.db2.gz IFTVPKSWGSCFBA-OLZOCXBDSA-N 0 1 326.418 2.521 20 5 EFBDMN Cc1ccc([C@@H](C)NC[C@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000346809799 475877517 /nfs/dbraw/zinc/87/75/17/475877517.db2.gz FVWOXJLWPWBVBK-TZMCWYRMSA-N 0 1 326.418 2.521 20 5 EFBDMN O=[N+]([O-])c1ccccc1CCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340247885 475887422 /nfs/dbraw/zinc/88/74/22/475887422.db2.gz QJBLXJKFUCJBOL-INIZCTEOSA-N 0 1 341.346 2.774 20 5 EFBDMN O=[N+]([O-])c1ccccc1CCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000340249090 475888619 /nfs/dbraw/zinc/88/86/19/475888619.db2.gz YANULFLFXZLKSQ-CQSZACIVSA-N 0 1 329.385 2.696 20 5 EFBDMN CN(Cc1ccccc1)C1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000353353396 475894154 /nfs/dbraw/zinc/89/41/54/475894154.db2.gz MZAHUNQVCNVIHF-UHFFFAOYSA-N 0 1 340.383 2.943 20 5 EFBDMN COCCCn1nccc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000338434856 475902009 /nfs/dbraw/zinc/90/20/09/475902009.db2.gz DMWJJIYPDXBNKP-UHFFFAOYSA-N 0 1 332.404 2.853 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)NCc2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000297884721 475915347 /nfs/dbraw/zinc/91/53/47/475915347.db2.gz JDBVOYGIUGYDPT-NSHDSACASA-N 0 1 346.391 2.705 20 5 EFBDMN CCO[C@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000362021180 475942713 /nfs/dbraw/zinc/94/27/13/475942713.db2.gz YSWTYDQGGGLQCN-WBVHZDCISA-N 0 1 338.404 2.666 20 5 EFBDMN COc1cc(CNc2ccc(OC(F)F)nc2)cc([N+](=O)[O-])c1O ZINC000338478374 475943036 /nfs/dbraw/zinc/94/30/36/475943036.db2.gz WFIAXSKQSALONH-UHFFFAOYSA-N 0 1 341.270 2.918 20 5 EFBDMN C[C@H]1c2cccn2CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298071151 475973838 /nfs/dbraw/zinc/97/38/38/475973838.db2.gz FACYGYBZSHWSNM-ZDUSSCGKSA-N 0 1 328.372 2.802 20 5 EFBDMN Cc1nc([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 ZINC000343357732 475982592 /nfs/dbraw/zinc/98/25/92/475982592.db2.gz FOFUANGUDMURQN-ZETCQYMHSA-N 0 1 331.357 2.727 20 5 EFBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C)ccc3[N+](=O)[O-])n2)o1 ZINC000353504060 476026974 /nfs/dbraw/zinc/02/69/74/476026974.db2.gz IDWGQMNYAJZOOV-UHFFFAOYSA-N 0 1 327.300 2.842 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1(O)CCC1 ZINC000353509550 476032723 /nfs/dbraw/zinc/03/27/23/476032723.db2.gz HMCFUROHBLYJIV-NSHDSACASA-N 0 1 332.360 2.553 20 5 EFBDMN CCN(CCNc1c([N+](=O)[O-])c(C)nn1CC)CCC(F)(F)F ZINC000358914929 476034383 /nfs/dbraw/zinc/03/43/83/476034383.db2.gz LSJIZQMMQCCYFT-UHFFFAOYSA-N 0 1 337.346 2.806 20 5 EFBDMN 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EFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2nccn2C)C1 ZINC000377887827 476629994 /nfs/dbraw/zinc/62/99/94/476629994.db2.gz HAPZCXQTAIOYQA-CYBMUJFWSA-N 0 1 330.388 2.717 20 5 EFBDMN COCCCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000352366629 476666098 /nfs/dbraw/zinc/66/60/98/476666098.db2.gz HFGZYNNPZBLXGR-CYBMUJFWSA-N 0 1 332.360 2.606 20 5 EFBDMN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)N1C ZINC000354460611 476674371 /nfs/dbraw/zinc/67/43/71/476674371.db2.gz ZTUHJMIUGWLGPM-QWRGUYRKSA-N 0 1 329.347 2.721 20 5 EFBDMN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cn[nH]c1-c1ccccc1 ZINC000354522476 476706168 /nfs/dbraw/zinc/70/61/68/476706168.db2.gz RHGXLXCUMIHKNX-UHFFFAOYSA-N 0 1 348.322 2.535 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@](O)(C2CC2)C1 ZINC000365850081 476730551 /nfs/dbraw/zinc/73/05/51/476730551.db2.gz RHHQUIVNAICALZ-GTNSWQLSSA-N 0 1 344.371 2.553 20 5 EFBDMN CCC1(CC)CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000445654225 476757799 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COc1ccc(C(=O)N=c2cc(-c3ccc(C)o3)[nH][nH]2)cc1[N+](=O)[O-] ZINC000447802870 477060138 /nfs/dbraw/zinc/06/01/38/477060138.db2.gz OFONIIPWMRNSOX-UHFFFAOYSA-N 0 1 342.311 2.569 20 5 EFBDMN Cc1ccc(-c2cc(=NC(=O)c3ccc(C)c([N+](=O)[O-])c3)[nH][nH]2)o1 ZINC000447803269 477060760 /nfs/dbraw/zinc/06/07/60/477060760.db2.gz ROMGDAFPMSYBGQ-UHFFFAOYSA-N 0 1 326.312 2.869 20 5 EFBDMN CN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000375892894 477065948 /nfs/dbraw/zinc/06/59/48/477065948.db2.gz RFSDCXNIFFJLGP-NVXWUHKLSA-N 0 1 343.358 2.562 20 5 EFBDMN CCN(CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000452846601 477105835 /nfs/dbraw/zinc/10/58/35/477105835.db2.gz KCQBXVTWHHZRNV-OAHLLOKOSA-N 0 1 331.416 2.785 20 5 EFBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000375968352 477107994 /nfs/dbraw/zinc/10/79/94/477107994.db2.gz ITISSABDKCZIQV-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN O=C(N[C@H](CO)CC1CCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416334363 477130929 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334.420 2.782 20 5 EFBDMN COc1cccc(C2(F)CCN(CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000366868419 477230246 /nfs/dbraw/zinc/23/02/46/477230246.db2.gz XRKBLKSEBUTQRV-UHFFFAOYSA-N 0 1 348.378 2.761 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H](O)C34CCCC4)n2)cc1 ZINC000433015560 477297730 /nfs/dbraw/zinc/29/77/30/477297730.db2.gz XSUFOBKDDDOIMK-CQSZACIVSA-N 0 1 344.371 2.524 20 5 EFBDMN O=C(CCCc1ccccc1)NCCNCc1ccccc1[N+](=O)[O-] ZINC000424191517 477323874 /nfs/dbraw/zinc/32/38/74/477323874.db2.gz RJAFKHPLFPFLNW-UHFFFAOYSA-N 0 1 341.411 2.824 20 5 EFBDMN CC(C)CN(CCN(C)C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448907971 477335576 /nfs/dbraw/zinc/33/55/76/477335576.db2.gz FCGAEHAHZUDIHX-UHFFFAOYSA-N 0 1 349.431 2.604 20 5 EFBDMN O=C(NCCN1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435813563 477375549 /nfs/dbraw/zinc/37/55/49/477375549.db2.gz JWWCRQFDQKJGMT-UHFFFAOYSA-N 0 1 335.407 2.507 20 5 EFBDMN CC[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1cccc([N+](=O)[O-])c1 ZINC000376517741 477378713 /nfs/dbraw/zinc/37/87/13/477378713.db2.gz BNZPLCIEQBHFSU-SJORKVTESA-N 0 1 344.415 2.902 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000367206928 477393965 /nfs/dbraw/zinc/39/39/65/477393965.db2.gz VARAVACGQPKMEZ-AWEZNQCLSA-N 0 1 348.321 2.753 20 5 EFBDMN Cc1[nH]ncc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436104958 477421190 /nfs/dbraw/zinc/42/11/90/477421190.db2.gz DHMBRUGAMOXVRG-UHFFFAOYSA-N 0 1 332.363 2.643 20 5 EFBDMN CC(C)CN1CCO[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413040299 477483107 /nfs/dbraw/zinc/48/31/07/477483107.db2.gz TVFVNWGCPCQQKZ-INIZCTEOSA-N 0 1 344.415 2.912 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000455110326 477503475 /nfs/dbraw/zinc/50/34/75/477503475.db2.gz WOVOJADEFNBJGZ-CYBMUJFWSA-N 0 1 336.392 2.551 20 5 EFBDMN C[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)CN1CCOCC1 ZINC000413153771 477543589 /nfs/dbraw/zinc/54/35/89/477543589.db2.gz LXSRPVQLASJZJA-ZDUSSCGKSA-N 0 1 330.388 2.523 20 5 EFBDMN CC(=O)c1ccc(O)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000436677200 477555189 /nfs/dbraw/zinc/55/51/89/477555189.db2.gz BVHUNWWPRBNYEB-UHFFFAOYSA-N 0 1 330.296 2.521 20 5 EFBDMN C[C@H](NCc1cnc(N2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000449349527 477557707 /nfs/dbraw/zinc/55/77/07/477557707.db2.gz QDHRTNWKKKXQNF-LBPRGKRZSA-N 0 1 348.428 2.739 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000449746047 477572609 /nfs/dbraw/zinc/57/26/09/477572609.db2.gz QAKHIRQBOFENRW-SCOADAFUSA-N 0 1 346.431 2.734 20 5 EFBDMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436770456 477584967 /nfs/dbraw/zinc/58/49/67/477584967.db2.gz MLVXZJUWZKRAOE-CYBMUJFWSA-N 0 1 343.383 2.551 20 5 EFBDMN CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CCN1C ZINC000413259075 477594765 /nfs/dbraw/zinc/59/47/65/477594765.db2.gz HMGUUACSOGQMSK-GFCCVEGCSA-N 0 1 332.326 2.785 20 5 EFBDMN Cc1nc(N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450419027 477594886 /nfs/dbraw/zinc/59/48/86/477594886.db2.gz NFMREYUDSJGIFY-KBPBESRZSA-N 0 1 341.415 2.792 20 5 EFBDMN COc1cc(CN2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000372009601 477598996 /nfs/dbraw/zinc/59/89/96/477598996.db2.gz KXLSTWILMVRQMS-CYBMUJFWSA-N 0 1 338.379 2.991 20 5 EFBDMN O=c1[nH]nc([C@@H]2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)o1 ZINC000413269913 477600985 /nfs/dbraw/zinc/60/09/85/477600985.db2.gz OIKFICHQWGALCS-LLVKDONJSA-N 0 1 341.327 2.616 20 5 EFBDMN COC(=O)Cc1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000450481235 477603203 /nfs/dbraw/zinc/60/32/03/477603203.db2.gz DKKWTPOEUWEDDR-OAHLLOKOSA-N 0 1 347.415 2.739 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458893620 477645375 /nfs/dbraw/zinc/64/53/75/477645375.db2.gz WMKRQDDMCDCBOY-DZGCQCFKSA-N 0 1 334.420 2.782 20 5 EFBDMN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])[N@@H+](C)Cc1ccccc1 ZINC000436969989 477652978 /nfs/dbraw/zinc/65/29/78/477652978.db2.gz BNBTXJLSHSQRMN-ZDUSSCGKSA-N 0 1 343.383 2.551 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2csc(NCc3n[nH]c(C4CC4)n3)n2)cc1 ZINC000450628729 477659678 /nfs/dbraw/zinc/65/96/78/477659678.db2.gz NKTLGOSHOKJKGX-UHFFFAOYSA-N 0 1 342.384 2.748 20 5 EFBDMN COc1ccc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c(O)c1 ZINC000436998597 477660813 /nfs/dbraw/zinc/66/08/13/477660813.db2.gz KXNHODOUFQPKRI-UHFFFAOYSA-N 0 1 328.284 2.608 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000372155894 477665974 /nfs/dbraw/zinc/66/59/74/477665974.db2.gz HUODNRREKIPRTJ-KKUMJFAQSA-N 0 1 347.415 2.589 20 5 EFBDMN O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000437864940 477767934 /nfs/dbraw/zinc/76/79/34/477767934.db2.gz FAFYLAIIIFURKP-HNNXBMFYSA-N 0 1 347.415 2.827 20 5 EFBDMN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(F)F ZINC000451069013 477808434 /nfs/dbraw/zinc/80/84/34/477808434.db2.gz DGBPSEMYQBTJAB-ZCFIWIBFSA-N 0 1 328.724 2.570 20 5 EFBDMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000428046876 477813055 /nfs/dbraw/zinc/81/30/55/477813055.db2.gz HCTCILVOMZUVAD-ZDUSSCGKSA-N 0 1 349.431 2.931 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420959720 477857770 /nfs/dbraw/zinc/85/77/70/477857770.db2.gz QSFYNQLBLQZYEK-HOTGVXAUSA-N 0 1 335.404 2.813 20 5 EFBDMN CCOCCN1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000493877179 477869950 /nfs/dbraw/zinc/86/99/50/477869950.db2.gz YXSKTTZGYUUZHE-ZDUSSCGKSA-N 0 1 341.839 2.791 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000456344630 477874607 /nfs/dbraw/zinc/87/46/07/477874607.db2.gz HJCVPMXYBJMOOS-GFCCVEGCSA-N 0 1 330.388 2.632 20 5 EFBDMN CCCc1nc(C)c(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000428378200 477879129 /nfs/dbraw/zinc/87/91/29/477879129.db2.gz IGHKAYAOBISQDU-ZDUSSCGKSA-N 0 1 345.403 2.925 20 5 EFBDMN CCCc1nc(C)c(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000428378193 477879798 /nfs/dbraw/zinc/87/97/98/477879798.db2.gz IGHKAYAOBISQDU-CYBMUJFWSA-N 0 1 345.403 2.925 20 5 EFBDMN CN(Cc1cccc2[nH]ccc21)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494000777 477899119 /nfs/dbraw/zinc/89/91/19/477899119.db2.gz UXKVMBCANGWJNT-UHFFFAOYSA-N 0 1 338.367 2.807 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@@H]1CC ZINC000516250299 477913596 /nfs/dbraw/zinc/91/35/96/477913596.db2.gz FJZHFESUGVOMSE-LBPRGKRZSA-N 0 1 336.392 2.551 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1CN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451296862 477937194 /nfs/dbraw/zinc/93/71/94/477937194.db2.gz BNBVFVNVKHRVCW-HWWQOWPSSA-N 0 1 340.807 2.610 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H](CO)CC(F)F)o1 ZINC000428649321 477948425 /nfs/dbraw/zinc/94/84/25/477948425.db2.gz KYONZEZXWZZHGR-SNVBAGLBSA-N 0 1 326.299 2.961 20 5 EFBDMN CC[C@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)OC ZINC000421168210 477993867 /nfs/dbraw/zinc/99/38/67/477993867.db2.gz XOPPQPHBSGTIFT-GFCCVEGCSA-N 0 1 345.421 2.582 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]3[C@H]3CCC[C@H]3O)nc2c1 ZINC000451420213 478007670 /nfs/dbraw/zinc/00/76/70/478007670.db2.gz NAQWKWBBYSNDGR-DAXOMENPSA-N 0 1 330.388 2.597 20 5 EFBDMN CN(Cc1c(Cl)cccc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000494812328 478068695 /nfs/dbraw/zinc/06/86/95/478068695.db2.gz MYVQXBOJJZNGAT-UHFFFAOYSA-N 0 1 328.796 2.612 20 5 EFBDMN CO[C@@H]1C[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000459740655 478068840 /nfs/dbraw/zinc/06/88/40/478068840.db2.gz BLPYPLDUZRZIFH-UONOGXRCSA-N 0 1 344.371 2.692 20 5 EFBDMN CO[C@@H]1C[C@@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000459740658 478070026 /nfs/dbraw/zinc/07/00/26/478070026.db2.gz BLPYPLDUZRZIFH-ZIAGYGMSSA-N 0 1 344.371 2.692 20 5 EFBDMN CC(C)(NC[C@@H](O)COc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429278115 478097131 /nfs/dbraw/zinc/09/71/31/478097131.db2.gz XIRTXKQTSVLLFA-CQSZACIVSA-N 0 1 330.384 2.859 20 5 EFBDMN COCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000487987998 478099834 /nfs/dbraw/zinc/09/98/34/478099834.db2.gz MCEYKELPAGJKIH-HIFRSBDPSA-N 0 1 349.431 2.979 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000560514204 478101978 /nfs/dbraw/zinc/10/19/78/478101978.db2.gz HSQYHPAEMSQUQJ-CYBMUJFWSA-N 0 1 343.387 2.856 20 5 EFBDMN COc1ccc(OCCN2CCSC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000451647132 478140753 /nfs/dbraw/zinc/14/07/53/478140753.db2.gz LVSHEJUSPIPCCI-HNNXBMFYSA-N 0 1 338.429 2.810 20 5 EFBDMN CC[C@@]1(O)CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000495229115 478147400 /nfs/dbraw/zinc/14/74/00/478147400.db2.gz NHFYZUSFWZPTRC-BDJLRTHQSA-N 0 1 332.360 2.553 20 5 EFBDMN CO[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)C1 ZINC000451664538 478148187 /nfs/dbraw/zinc/14/81/87/478148187.db2.gz YXDQJYOYKSGQMO-SMDDNHRTSA-N 0 1 344.371 2.624 20 5 EFBDMN CO[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1OC ZINC000488571852 478163820 /nfs/dbraw/zinc/16/38/20/478163820.db2.gz HBIFPEAFQQARGC-IAGOWNOFSA-N 0 1 332.356 2.700 20 5 EFBDMN COc1cc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000451701258 478166840 /nfs/dbraw/zinc/16/68/40/478166840.db2.gz PQXUEGSCLGLNBF-DYEKYZERSA-N 0 1 338.379 2.725 20 5 EFBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](CO)CC(C)(C)C ZINC000451784042 478202769 /nfs/dbraw/zinc/20/27/69/478202769.db2.gz TUOIVPXDDBCLQR-CQSZACIVSA-N 0 1 348.403 2.874 20 5 EFBDMN COC(=O)c1ccc([C@H](C)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000489027722 478212381 /nfs/dbraw/zinc/21/23/81/478212381.db2.gz OFHYDXSOVVMWKO-NSHDSACASA-N 0 1 348.359 2.569 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1C ZINC000489336874 478234965 /nfs/dbraw/zinc/23/49/65/478234965.db2.gz WAVZZLNFLMSRCT-AWEZNQCLSA-N 0 1 325.796 2.660 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000489352282 478235943 /nfs/dbraw/zinc/23/59/43/478235943.db2.gz PEFQFMCBIMSKFU-WBMJQRKESA-N 0 1 337.395 2.636 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)n[nH]1 ZINC000562354717 478237312 /nfs/dbraw/zinc/23/73/12/478237312.db2.gz GFEWCDRHFSDTOV-UWVGGRQHSA-N 0 1 346.391 2.759 20 5 EFBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)[C@H](C(C)C)C2)c1 ZINC000489375713 478238889 /nfs/dbraw/zinc/23/88/89/478238889.db2.gz WAVMMKYVBSHDSK-HNNXBMFYSA-N 0 1 337.445 2.729 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc4cc[nH]c43)CC2)cn1 ZINC000536638005 478264267 /nfs/dbraw/zinc/26/42/67/478264267.db2.gz IITVNSJIWLNEBQ-UHFFFAOYSA-N 0 1 337.383 2.793 20 5 EFBDMN CN(CCOC(C)(C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000590684050 478288134 /nfs/dbraw/zinc/28/81/34/478288134.db2.gz UHZCLCRCOTYWPX-UHFFFAOYSA-N 0 1 346.387 2.872 20 5 EFBDMN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000579463492 478302965 /nfs/dbraw/zinc/30/29/65/478302965.db2.gz VTBATJCSHJDWGX-NFAWXSAZSA-N 0 1 346.383 2.841 20 5 EFBDMN C[C@@H]1C[C@H]1c1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000579463494 478303274 /nfs/dbraw/zinc/30/32/74/478303274.db2.gz VTBATJCSHJDWGX-VNHYZAJKSA-N 0 1 346.383 2.841 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000579484879 478309666 /nfs/dbraw/zinc/30/96/66/478309666.db2.gz XBYRMZUHSZFKFA-UHFFFAOYSA-N 0 1 344.367 2.733 20 5 EFBDMN COC(C)(C)CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520472031 478314766 /nfs/dbraw/zinc/31/47/66/478314766.db2.gz AKVTYSXLRLQMKD-JTQLQIEISA-N 0 1 343.811 2.932 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000490302044 478327294 /nfs/dbraw/zinc/32/72/94/478327294.db2.gz SUEFYDMZEPOGCL-ZDUSSCGKSA-N 0 1 325.796 2.660 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000490302044 478327300 /nfs/dbraw/zinc/32/73/00/478327300.db2.gz SUEFYDMZEPOGCL-ZDUSSCGKSA-N 0 1 325.796 2.660 20 5 EFBDMN CN1CCCC[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590774977 478331599 /nfs/dbraw/zinc/33/15/99/478331599.db2.gz AQGBLUWIICFQKB-RDJZCZTQSA-N 0 1 331.416 2.785 20 5 EFBDMN O=C1[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H]2CCCCN12 ZINC000590780366 478334748 /nfs/dbraw/zinc/33/47/48/478334748.db2.gz COFJMWKLGAPBLG-KBRIMQKVSA-N 0 1 329.400 2.715 20 5 EFBDMN COc1ccc(C[N@@H+](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000581553962 478387515 /nfs/dbraw/zinc/38/75/15/478387515.db2.gz MCVZOELZBZUYRS-MRXNPFEDSA-N 0 1 344.367 2.731 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000539076781 478400775 /nfs/dbraw/zinc/40/07/75/478400775.db2.gz GGVODOBKIRRKRK-GXFFZTMASA-N 0 1 345.321 2.717 20 5 EFBDMN CC[C@H]1CN(C)CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597606605 478431084 /nfs/dbraw/zinc/43/10/84/478431084.db2.gz XXBRFMLRJTWGGV-ZDUSSCGKSA-N 0 1 331.372 2.897 20 5 EFBDMN CCc1ccc([C@H]2CNCCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000581806598 478441918 /nfs/dbraw/zinc/44/19/18/478441918.db2.gz RENXURCKLNJIJE-GOSISDBHSA-N 0 1 339.395 2.944 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C2CCC2)C1 ZINC000591062111 478447561 /nfs/dbraw/zinc/44/75/61/478447561.db2.gz VZORGTSFCXCIJY-ZDUSSCGKSA-N 0 1 333.388 2.664 20 5 EFBDMN O=[N+]([O-])c1ccc2ccnc(NCc3n[nH]c([C@@H]4CCCO4)n3)c2c1 ZINC000594589754 478450317 /nfs/dbraw/zinc/45/03/17/478450317.db2.gz NIWACMIUSZXFPY-ZDUSSCGKSA-N 0 1 340.343 2.725 20 5 EFBDMN Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570931030 478483441 /nfs/dbraw/zinc/48/34/41/478483441.db2.gz BJXIFSXKTIFOTM-ONXXMXGDSA-N 0 1 333.388 2.663 20 5 EFBDMN CO[C@@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCCC1 ZINC000594695702 478500124 /nfs/dbraw/zinc/50/01/24/478500124.db2.gz IJHMNGGGSGHKDD-HNNXBMFYSA-N 0 1 342.417 2.850 20 5 EFBDMN COc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000563282687 478504119 /nfs/dbraw/zinc/50/41/19/478504119.db2.gz KBQYGONKOCTBPJ-INIZCTEOSA-N 0 1 342.351 2.615 20 5 EFBDMN CCn1ncc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594731702 478519123 /nfs/dbraw/zinc/51/91/23/478519123.db2.gz YXHRYVHDEDJROJ-UHFFFAOYSA-N 0 1 344.780 2.574 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000594734086 478519866 /nfs/dbraw/zinc/51/98/66/478519866.db2.gz OAGMTCGHMOSCTN-KFWWJZLASA-N 0 1 348.399 2.939 20 5 EFBDMN CC(C)N1CCO[C@@H](Cn2cc(-c3ccc(F)cc3[N+](=O)[O-])cn2)C1 ZINC000600791398 478524125 /nfs/dbraw/zinc/52/41/25/478524125.db2.gz ZNHMITTVJKMSMO-OAHLLOKOSA-N 0 1 348.378 2.707 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCOc3cc(F)ccc3C2)c1[N+](=O)[O-] ZINC000600804043 478528595 /nfs/dbraw/zinc/52/85/95/478528595.db2.gz IHSAZXUZSXYUBN-UHFFFAOYSA-N 0 1 348.334 2.615 20 5 EFBDMN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2ccccc2O)c1 ZINC000594765183 478535910 /nfs/dbraw/zinc/53/59/10/478535910.db2.gz TYKJSYWYLFQROX-UHFFFAOYSA-N 0 1 348.380 2.654 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000563537436 478582367 /nfs/dbraw/zinc/58/23/67/478582367.db2.gz MBIRFKZKXMXHPQ-HIFRSBDPSA-N 0 1 345.399 2.746 20 5 EFBDMN O=C([O-])CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000571443862 478599542 /nfs/dbraw/zinc/59/95/42/478599542.db2.gz BEWUYWGGCGZUHV-HWKANZROSA-N 0 1 334.372 2.564 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(CC3CCC(F)(F)CC3)CC2)cn1 ZINC000571500748 478610607 /nfs/dbraw/zinc/61/06/07/478610607.db2.gz RDQHWASOWUWLJG-UHFFFAOYSA-N 0 1 340.374 2.937 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](O)COc1ccccc1 ZINC000595004546 478625346 /nfs/dbraw/zinc/62/53/46/478625346.db2.gz UAMZCCKHAHHXGE-HIFRSBDPSA-N 0 1 346.383 2.694 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C(=O)N1CCCC1)C(C)C ZINC000595019985 478631868 /nfs/dbraw/zinc/63/18/68/478631868.db2.gz SUDZGQLPVQDQCN-DYVFJYSZSA-N 0 1 349.431 2.901 20 5 EFBDMN CCC[C@@H](C)C(=O)NCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039594 478637309 /nfs/dbraw/zinc/63/73/09/478637309.db2.gz TZDRUVWXRFTMHH-CHWSQXEVSA-N 0 1 337.420 2.806 20 5 EFBDMN CC[C@H]1CN(C)CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000601188659 478713820 /nfs/dbraw/zinc/71/38/20/478713820.db2.gz LQAYGJWKYOJYRH-JTQLQIEISA-N 0 1 343.225 2.673 20 5 EFBDMN COc1ccc2c(c1)CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C2 ZINC000598224368 478714010 /nfs/dbraw/zinc/71/40/10/478714010.db2.gz QEMNLYVRLNVZKL-UHFFFAOYSA-N 0 1 344.371 2.648 20 5 EFBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000595397275 478761006 /nfs/dbraw/zinc/76/10/06/478761006.db2.gz PVRSKNUWPOZAKR-UHFFFAOYSA-N 0 1 339.411 2.524 20 5 EFBDMN C[C@H]1CN(CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000595405386 478763228 /nfs/dbraw/zinc/76/32/28/478763228.db2.gz WYPHZQZYYPOBII-GJZGRUSLSA-N 0 1 333.432 2.668 20 5 EFBDMN Cc1ccc([C@H](C)NC[C@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601293591 478769878 /nfs/dbraw/zinc/76/98/78/478769878.db2.gz IHBRNDSVXMHEKS-GWCFXTLKSA-N 0 1 343.309 2.949 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](n1cncn1)C(F)(F)F ZINC000601295537 478772198 /nfs/dbraw/zinc/77/21/98/478772198.db2.gz WZEYSVHHJHAVDC-ZWNOBZJWSA-N 0 1 343.309 2.949 20 5 EFBDMN CCOc1cc(N2CCN([C@@H]3COC(C)(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000595464055 478800407 /nfs/dbraw/zinc/80/04/07/478800407.db2.gz FOBLBJWXYPOOKG-HNNXBMFYSA-N 0 1 349.431 2.683 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN[C@H](CCO)c2ccccc2F)c1 ZINC000592160401 478806072 /nfs/dbraw/zinc/80/60/72/478806072.db2.gz JTDGEMYFRIKVIN-QGZVFWFLSA-N 0 1 334.347 2.826 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC2(C[C@H]1C)CCOCC2 ZINC000592181460 478815485 /nfs/dbraw/zinc/81/54/85/478815485.db2.gz DMHLZDKNPHWEML-CQSZACIVSA-N 0 1 347.415 2.733 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC2(C[C@@H]1C)CCOCC2 ZINC000592183124 478817070 /nfs/dbraw/zinc/81/70/70/478817070.db2.gz RKQGQRPRWVFCKB-AWEZNQCLSA-N 0 1 347.415 2.733 20 5 EFBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC2(C[C@@H]1C)CCOCC2 ZINC000592184031 478817774 /nfs/dbraw/zinc/81/77/74/478817774.db2.gz XRECKWRLOYNLPV-UONOGXRCSA-N 0 1 347.415 2.813 20 5 EFBDMN COc1cc([N+](=O)[O-])c(-c2nc([C@@H]3CCCN3)no2)cc1SC ZINC000592356933 478866163 /nfs/dbraw/zinc/86/61/63/478866163.db2.gz LYRURLLHTOKGDR-VIFPVBQESA-N 0 1 336.373 2.800 20 5 EFBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1Cc1ccccc1 ZINC000598511527 478872903 /nfs/dbraw/zinc/87/29/03/478872903.db2.gz SDEZSBVMTQBFCP-GOSISDBHSA-N 0 1 339.395 2.528 20 5 EFBDMN CN(Cc1cnc[nH]1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595591063 478873497 /nfs/dbraw/zinc/87/34/97/478873497.db2.gz CRJITKURZIHAEF-UHFFFAOYSA-N 0 1 325.166 2.712 20 5 EFBDMN C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000572725272 478906577 /nfs/dbraw/zinc/90/65/77/478906577.db2.gz GCKFHQFIXUGYNI-GFCCVEGCSA-N 0 1 333.388 2.604 20 5 EFBDMN CCc1oc(CNCCOc2ccc([N+](=O)[O-])cc2)cc1C(=O)OC ZINC000572739494 478909541 /nfs/dbraw/zinc/90/95/41/478909541.db2.gz MWCHGKOTAIMKQH-UHFFFAOYSA-N 0 1 348.355 2.705 20 5 EFBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnc(N2CCCC2)nc1 ZINC000583720155 478922826 /nfs/dbraw/zinc/92/28/26/478922826.db2.gz UDFAWPGRYWJQND-UHFFFAOYSA-N 0 1 341.415 2.660 20 5 EFBDMN C[C@H](CO)[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595672417 478925978 /nfs/dbraw/zinc/92/59/78/478925978.db2.gz IZTLNBCISFLTME-IUODEOHRSA-N 0 1 346.387 2.628 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)c1 ZINC000583739232 478930357 /nfs/dbraw/zinc/93/03/57/478930357.db2.gz QUVPCLHORXMFRJ-UHFFFAOYSA-N 0 1 331.416 2.851 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000583758546 478934985 /nfs/dbraw/zinc/93/49/85/478934985.db2.gz NSUJCFJHKTZNQJ-MRXNPFEDSA-N 0 1 344.367 2.731 20 5 EFBDMN COC(=O)c1cc(CNCc2ccc([N+](=O)[O-])cc2)n2c1CCCC2 ZINC000598638241 478939500 /nfs/dbraw/zinc/93/95/00/478939500.db2.gz CSVDFINNCAJBIK-UHFFFAOYSA-N 0 1 343.383 2.809 20 5 EFBDMN C[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CCO ZINC000595697618 478942856 /nfs/dbraw/zinc/94/28/56/478942856.db2.gz MASYMYHATLDKEC-SWLSCSKDSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CCO ZINC000595704836 478947515 /nfs/dbraw/zinc/94/75/15/478947515.db2.gz WGHQQEQVTSGQES-DOMZBBRYSA-N 0 1 346.387 2.628 20 5 EFBDMN CC(C)Oc1nc(N2CC[N@H+]([C@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000565227075 478957403 /nfs/dbraw/zinc/95/74/03/478957403.db2.gz VAFUGCGZJJJMOX-LZWOXQAQSA-N 0 1 348.447 2.944 20 5 EFBDMN O=C(C=Cc1ccccc1[N+](=O)[O-])N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000492395356 478966607 /nfs/dbraw/zinc/96/66/07/478966607.db2.gz HHNOHSQLVCOQIH-QXPKXGMISA-N 0 1 349.350 2.632 20 5 EFBDMN COc1cc(CN2CCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000595772786 478989173 /nfs/dbraw/zinc/98/91/73/478989173.db2.gz UZTQJKORJCIJNE-GXSJLCMTSA-N 0 1 346.330 2.550 20 5 EFBDMN CC1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595857039 479036705 /nfs/dbraw/zinc/03/67/05/479036705.db2.gz HTPMFPMRVIJCKB-LQDVMPOASA-N 0 1 329.400 2.747 20 5 EFBDMN Cc1cccc(CN2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000601848826 479038339 /nfs/dbraw/zinc/03/83/39/479038339.db2.gz CPAYRVRVYRFTFZ-MRXNPFEDSA-N 0 1 339.395 2.908 20 5 EFBDMN Cc1cccc(CN2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000601852149 479040673 /nfs/dbraw/zinc/04/06/73/479040673.db2.gz XHMJWNXBNYAXQB-AWEZNQCLSA-N 0 1 329.356 2.501 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN[C@H](CO)c2ccc(F)cc2F)c1 ZINC000595867125 479041635 /nfs/dbraw/zinc/04/16/35/479041635.db2.gz LNVLOXZJWSUMPH-MRXNPFEDSA-N 0 1 338.310 2.575 20 5 EFBDMN CCCC[N@H+]1CCCC[C@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573375044 479051405 /nfs/dbraw/zinc/05/14/05/479051405.db2.gz KZMIFTWBFJUGTL-ZDUSSCGKSA-N 0 1 336.392 2.755 20 5 EFBDMN CCCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592833248 479066366 /nfs/dbraw/zinc/06/63/66/479066366.db2.gz XNPOGCUGORACAF-CYBMUJFWSA-N 0 1 337.445 2.873 20 5 EFBDMN CC[N@@H+](CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CCC(F)(F)F ZINC000514792554 479067335 /nfs/dbraw/zinc/06/73/35/479067335.db2.gz OJQGRULQUHYBDE-UHFFFAOYSA-N 0 1 349.309 2.979 20 5 EFBDMN Cc1ccc(-c2noc([C@H]3CCCc4nn[nH]c43)n2)cc1[N+](=O)[O-] ZINC000596002740 479091106 /nfs/dbraw/zinc/09/11/06/479091106.db2.gz MMQRSCXTJJCTAK-JTQLQIEISA-N 0 1 326.316 2.540 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCCc3nn[nH]c32)n1 ZINC000596001364 479091486 /nfs/dbraw/zinc/09/14/86/479091486.db2.gz DHOAGAUPQMCKSO-LLVKDONJSA-N 0 1 326.316 2.540 20 5 EFBDMN Cc1c(-c2noc([C@@H]3CCCc4nn[nH]c43)n2)cccc1[N+](=O)[O-] ZINC000596004632 479093085 /nfs/dbraw/zinc/09/30/85/479093085.db2.gz ZWIWDWXBVDVMGS-SNVBAGLBSA-N 0 1 326.316 2.540 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)OC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000592904285 479098381 /nfs/dbraw/zinc/09/83/81/479098381.db2.gz NMLMHUWDFQTDLK-LLVKDONJSA-N 0 1 336.392 2.615 20 5 EFBDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000584356523 479108376 /nfs/dbraw/zinc/10/83/76/479108376.db2.gz QFSZNEJOBIVGCH-FZMZJTMJSA-N 0 1 345.355 2.587 20 5 EFBDMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592972129 479111409 /nfs/dbraw/zinc/11/14/09/479111409.db2.gz TVNYQJVRSZFSKF-BETUJISGSA-N 0 1 335.404 2.897 20 5 EFBDMN CC[N@@H+](C)Cc1cccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000515302525 479143305 /nfs/dbraw/zinc/14/33/05/479143305.db2.gz WZLMVKQWGGYJLY-UHFFFAOYSA-N 0 1 344.371 2.752 20 5 EFBDMN COC(=O)c1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])n1C ZINC000602024468 479145218 /nfs/dbraw/zinc/14/52/18/479145218.db2.gz NNHYNXWMQKYGRY-UHFFFAOYSA-N 0 1 331.372 2.745 20 5 EFBDMN CC(C)(CO)N1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596128095 479155080 /nfs/dbraw/zinc/15/50/80/479155080.db2.gz DEIYYYPZTZCKJE-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN CC[C@H]1CN(C)CCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584574904 479182980 /nfs/dbraw/zinc/18/29/80/479182980.db2.gz HSTHZCVWASFHMV-HIFRSBDPSA-N 0 1 334.420 2.700 20 5 EFBDMN CCOC[C@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000599157685 479187305 /nfs/dbraw/zinc/18/73/05/479187305.db2.gz CEGWNECEFNOQJF-CQSZACIVSA-N 0 1 331.372 2.693 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCc2c1cnn2CCO ZINC000610803585 479192108 /nfs/dbraw/zinc/19/21/08/479192108.db2.gz LYCPKMAUZGPDFI-CXAGYDPISA-N 0 1 344.415 2.820 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCc2c1cnn2CCO ZINC000610803594 479192556 /nfs/dbraw/zinc/19/25/56/479192556.db2.gz LYCPKMAUZGPDFI-SUMWQHHRSA-N 0 1 344.415 2.820 20 5 EFBDMN C[C@H]1[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000596235841 479216653 /nfs/dbraw/zinc/21/66/53/479216653.db2.gz NFWLISVEQQPQRI-GXTWGEPZSA-N 0 1 328.372 2.770 20 5 EFBDMN Cc1[nH]ncc1CN(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602174502 479217986 /nfs/dbraw/zinc/21/79/86/479217986.db2.gz WYWBSLXRZKQRHS-UHFFFAOYSA-N 0 1 342.277 2.917 20 5 EFBDMN CCO[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCCC2 ZINC000610891483 479225554 /nfs/dbraw/zinc/22/55/54/479225554.db2.gz QQMARFGTWHXWPO-GJZGRUSLSA-N 0 1 334.372 2.768 20 5 EFBDMN CCc1nc(CNc2c(Br)cccc2[N+](=O)[O-])n[nH]1 ZINC000596254739 479225788 /nfs/dbraw/zinc/22/57/88/479225788.db2.gz FFAAJALSANFVTE-UHFFFAOYSA-N 0 1 326.154 2.650 20 5 EFBDMN CCNc1ccc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593187912 479228440 /nfs/dbraw/zinc/22/84/40/479228440.db2.gz RPZWVQIDKKLOFI-UPJWGTAASA-N 0 1 334.420 2.580 20 5 EFBDMN C[C@@H]1[C@@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000593189642 479230500 /nfs/dbraw/zinc/23/05/00/479230500.db2.gz WNBMKHLTFFSANT-YNEHKIRRSA-N 0 1 337.445 2.626 20 5 EFBDMN Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000593291221 479279227 /nfs/dbraw/zinc/27/92/27/479279227.db2.gz ZNCDCZARKYHWOK-CYBMUJFWSA-N 0 1 349.387 2.561 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000593291088 479279293 /nfs/dbraw/zinc/27/92/93/479279293.db2.gz XVSLVAOFLZGYDU-ZDUSSCGKSA-N 0 1 349.387 2.561 20 5 EFBDMN CC(C)(C)c1ncc2c(n1)CCN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000599526859 479321202 /nfs/dbraw/zinc/32/12/02/479321202.db2.gz VDENHCBTGCYODJ-UHFFFAOYSA-N 0 1 342.399 2.946 20 5 EFBDMN O=[N+]([O-])c1ccccc1N1CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000611252106 479323209 /nfs/dbraw/zinc/32/32/09/479323209.db2.gz RSNFVSYZKYTDRE-UHFFFAOYSA-N 0 1 337.383 2.793 20 5 EFBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCN1Cc1ccccc1 ZINC000596559422 479339073 /nfs/dbraw/zinc/33/90/73/479339073.db2.gz YGMPPLQABKBYMF-OAHLLOKOSA-N 0 1 329.404 2.806 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCOC[C@H]1CCOC1 ZINC000602535732 479387964 /nfs/dbraw/zinc/38/79/64/479387964.db2.gz QTPGQYCSYICADO-NSHDSACASA-N 0 1 348.321 2.756 20 5 EFBDMN COC[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602573012 479403671 /nfs/dbraw/zinc/40/36/71/479403671.db2.gz WGVBZZYCVLAVSS-SNVBAGLBSA-N 0 1 335.223 2.933 20 5 EFBDMN O=C(NCc1c(F)c(F)cc(F)c1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611558393 479414639 /nfs/dbraw/zinc/41/46/39/479414639.db2.gz XPHDGVHBYYTPKD-UHFFFAOYSA-N 0 1 344.220 2.787 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611559696 479415456 /nfs/dbraw/zinc/41/54/56/479415456.db2.gz IOFODAVMPYKJKK-OLZOCXBDSA-N 0 1 334.372 2.579 20 5 EFBDMN C/C=C/C[C@@H](CO)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602617206 479425827 /nfs/dbraw/zinc/42/58/27/479425827.db2.gz BKVNMXGAIRAQNF-SGJFDWMWSA-N 0 1 335.223 2.836 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000593738764 479440479 /nfs/dbraw/zinc/44/04/79/479440479.db2.gz YKJGKYBLOATHDF-HNNXBMFYSA-N 0 1 334.372 2.684 20 5 EFBDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593738033 479440892 /nfs/dbraw/zinc/44/08/92/479440892.db2.gz KVRIVGPUMAXUDN-GJZGRUSLSA-N 0 1 336.388 2.928 20 5 EFBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)CC(=O)[O-])cc1OC ZINC000593744424 479442973 /nfs/dbraw/zinc/44/29/73/479442973.db2.gz MCXZSSSBWMYKNI-LLVKDONJSA-N 0 1 340.376 2.545 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000593748941 479446264 /nfs/dbraw/zinc/44/62/64/479446264.db2.gz XRLQSHSQTORSFK-CYBMUJFWSA-N 0 1 336.388 2.926 20 5 EFBDMN O=C([O-])c1ccc2c(c1)C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000593749182 479446286 /nfs/dbraw/zinc/44/62/86/479446286.db2.gz AKMIUTRMNGFJMA-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN CC(C)[C@H]1CNCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599915991 479470205 /nfs/dbraw/zinc/47/02/05/479470205.db2.gz AWJRGQZXQLFCAL-QGZVFWFLSA-N 0 1 348.447 2.557 20 5 EFBDMN Cc1ccncc1[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000611938889 479526615 /nfs/dbraw/zinc/52/66/15/479526615.db2.gz BLYJZOWGSPJAAM-CYBMUJFWSA-N 0 1 328.372 2.896 20 5 EFBDMN COc1ccc(NC(=O)CN[C@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611939786 479526777 /nfs/dbraw/zinc/52/67/77/479526777.db2.gz OLBOCOIYSKNOON-GFCCVEGCSA-N 0 1 344.371 2.596 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cnccc1C ZINC000611940344 479528437 /nfs/dbraw/zinc/52/84/37/479528437.db2.gz YCNYTBHUZXMNQO-GFCCVEGCSA-N 0 1 344.371 2.596 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCCCC[C@@H]3CO)co2)cc1 ZINC000594017361 479550797 /nfs/dbraw/zinc/55/07/97/479550797.db2.gz XAQKFSSKXJHBQC-MRXNPFEDSA-N 0 1 331.372 2.987 20 5 EFBDMN Cc1csc(C2(NCCn3c(C)ncc3[N+](=O)[O-])CCCC2)n1 ZINC000602793950 479556187 /nfs/dbraw/zinc/55/61/87/479556187.db2.gz UOHUHKKTUQAJNF-UHFFFAOYSA-N 0 1 335.433 2.924 20 5 EFBDMN Cc1ncc([C@@H](C)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000614962444 479561138 /nfs/dbraw/zinc/56/11/38/479561138.db2.gz DJTHAETVBFBIJQ-TZMCWYRMSA-N 0 1 342.403 2.644 20 5 EFBDMN CO[C@]1(C(F)(F)F)CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000615141344 479614018 /nfs/dbraw/zinc/61/40/18/479614018.db2.gz QAYHUZODDXSOKT-CYBMUJFWSA-N 0 1 334.294 2.844 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCOc3ccc(F)cc3C2)c1[N+](=O)[O-] ZINC000618886897 479624196 /nfs/dbraw/zinc/62/41/96/479624196.db2.gz DNEITJRJAXTRQP-UHFFFAOYSA-N 0 1 348.334 2.615 20 5 EFBDMN COc1cc(CN[C@@H]2C[C@]2(C)OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000597236363 479636704 /nfs/dbraw/zinc/63/67/04/479636704.db2.gz QFNREYFHEAHTJA-HIFRSBDPSA-N 0 1 346.330 2.514 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC([C@H]3CCCO3)CC1)OCCO2 ZINC000615283736 479647818 /nfs/dbraw/zinc/64/78/18/479647818.db2.gz XBQIXXSHHUXHSS-MRXNPFEDSA-N 0 1 348.399 2.757 20 5 EFBDMN CN(C)c1ccnc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000612346659 479650859 /nfs/dbraw/zinc/65/08/59/479650859.db2.gz LTWJSSOCYBTSAT-UHFFFAOYSA-N 0 1 328.372 2.972 20 5 EFBDMN Cc1ncc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000602957411 479651367 /nfs/dbraw/zinc/65/13/67/479651367.db2.gz SPDYDTZNTLMTGU-SNVBAGLBSA-N 0 1 346.412 2.600 20 5 EFBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1n[nH]c2cc(O)ccc21 ZINC000590557746 479659316 /nfs/dbraw/zinc/65/93/16/479659316.db2.gz IDQSDDVGDGLLHZ-UHFFFAOYSA-N 0 1 326.312 2.748 20 5 EFBDMN CCO[C@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000590625706 479672068 /nfs/dbraw/zinc/67/20/68/479672068.db2.gz HEDZZAVPMFDMEA-AWEZNQCLSA-N 0 1 344.371 2.626 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)Cc2csc(CC)n2)c1[N+](=O)[O-] ZINC000609476727 480164442 /nfs/dbraw/zinc/16/44/42/480164442.db2.gz BFIIKJNVKGRQPD-UHFFFAOYSA-N 0 1 337.405 2.562 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCS[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000609795196 480205760 /nfs/dbraw/zinc/20/57/60/480205760.db2.gz SZWZDUUFBUWGHI-GFCCVEGCSA-N 0 1 332.385 2.557 20 5 EFBDMN O=C(CN1C2CCCC1CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610395003 480296566 /nfs/dbraw/zinc/29/65/66/480296566.db2.gz IOLGFLAIDLIXJH-UHFFFAOYSA-N 0 1 329.400 2.891 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CNCCn3cnc4ccccc43)nc2c1 ZINC000610581449 480342001 /nfs/dbraw/zinc/34/20/01/480342001.db2.gz DJLYCGDXWDFOPT-UHFFFAOYSA-N 0 1 337.339 2.876 20 5 EFBDMN Cc1c([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000183391240 533955638 /nfs/dbraw/zinc/95/56/38/533955638.db2.gz QWZWPBHSMZWDLP-NWDGAFQWSA-N 0 1 345.403 2.623 20 5 EFBDMN Cc1cc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000178679934 533979409 /nfs/dbraw/zinc/97/94/09/533979409.db2.gz ZHGZUDWRPBMICK-VXGBXAGGSA-N 0 1 332.360 2.877 20 5 EFBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153445057 534005567 /nfs/dbraw/zinc/00/55/67/534005567.db2.gz FZDXERQSNSVIMM-OCCSQVGLSA-N 0 1 337.445 2.628 20 5 EFBDMN CC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000120174955 518462429 /nfs/dbraw/zinc/46/24/29/518462429.db2.gz NLCLLKRRPKSKCF-UHFFFAOYSA-N 0 1 334.353 2.907 20 5 EFBDMN CCCCc1nc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2[nH]1 ZINC000065903951 521311391 /nfs/dbraw/zinc/31/13/91/521311391.db2.gz IGLABNJQRNXGDJ-UHFFFAOYSA-N 0 1 342.359 2.649 20 5 EFBDMN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000140773420 521701922 /nfs/dbraw/zinc/70/19/22/521701922.db2.gz NWAXLYWEUTZZCF-HZPDHXFCSA-N 0 1 349.431 2.719 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000179391359 522981014 /nfs/dbraw/zinc/98/10/14/522981014.db2.gz PRONXSMRFNYFDQ-UHFFFAOYSA-N 0 1 340.332 2.684 20 5 EFBDMN Cc1cccc(C2(CNC(=O)c3n[nH]cc3[N+](=O)[O-])CCCC2)c1 ZINC000131206911 534685686 /nfs/dbraw/zinc/68/56/86/534685686.db2.gz PKWRBCRTKKZWFY-UHFFFAOYSA-N 0 1 328.372 2.868 20 5 EFBDMN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000159436896 534745540 /nfs/dbraw/zinc/74/55/40/534745540.db2.gz ZWMXDIYJDXJKRK-LLVKDONJSA-N 0 1 344.371 2.693 20 5 EFBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000193115650 524584213 /nfs/dbraw/zinc/58/42/13/524584213.db2.gz UHZHMILIGRPELY-NWDGAFQWSA-N 0 1 344.371 2.676 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000181878796 525456998 /nfs/dbraw/zinc/45/69/98/525456998.db2.gz AHORXXUSJVAFKU-UHFFFAOYSA-N 0 1 343.299 2.542 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](Cc2nccn2C)C1 ZINC000090004129 525458587 /nfs/dbraw/zinc/45/85/87/525458587.db2.gz PMKXEGROHPGJCC-CQSZACIVSA-N 0 1 344.415 2.792 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cccnc1 ZINC000194719715 525468844 /nfs/dbraw/zinc/46/88/44/525468844.db2.gz FJBDAEGMMDQYMN-VXGBXAGGSA-N 0 1 344.371 2.676 20 5 EFBDMN CC(C)CCSc1ccc(C(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000236601929 534909868 /nfs/dbraw/zinc/90/98/68/534909868.db2.gz KUXVOUWHOVIECD-UHFFFAOYSA-N 0 1 337.445 2.778 20 5 EFBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120906722 526717906 /nfs/dbraw/zinc/71/79/06/526717906.db2.gz HTOOEXLHNDFRMK-JTQLQIEISA-N 0 1 347.400 2.672 20 5 EFBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120906915 526718078 /nfs/dbraw/zinc/71/80/78/526718078.db2.gz HTOOEXLHNDFRMK-SNVBAGLBSA-N 0 1 347.400 2.672 20 5 EFBDMN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000152337993 526982341 /nfs/dbraw/zinc/98/23/41/526982341.db2.gz HYRBSABNSUKFGF-VNQPRFMTSA-N 0 1 334.335 2.539 20 5 EFBDMN O=C1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CN1c1c(F)cccc1F ZINC000180222424 527019555 /nfs/dbraw/zinc/01/95/55/527019555.db2.gz FMWFPFKRFRJAHF-GFCCVEGCSA-N 0 1 347.321 2.768 20 5 EFBDMN NC(=O)c1ccc(CN2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246170512 527046247 /nfs/dbraw/zinc/04/62/47/527046247.db2.gz RUIXTKNUMMHSMQ-UKRRQHHQSA-N 0 1 335.429 2.554 20 5 EFBDMN CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(Cl)c1F ZINC000183883132 527167695 /nfs/dbraw/zinc/16/76/95/527167695.db2.gz YHOSZJICKKGSLW-UHFFFAOYSA-N 0 1 340.742 2.818 20 5 EFBDMN O=C(Cc1n[nH]c2ccccc12)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089420636 527341391 /nfs/dbraw/zinc/34/13/91/527341391.db2.gz WDSLFAYBQOSOCU-UHFFFAOYSA-N 0 1 336.311 2.529 20 5 EFBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3ccnc3)c2)cc1 ZINC000116602159 527376881 /nfs/dbraw/zinc/37/68/81/527376881.db2.gz MRWKYUVCULIBLT-UHFFFAOYSA-N 0 1 344.352 2.581 20 5 EFBDMN CC(C)CN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134518718 528001705 /nfs/dbraw/zinc/00/17/05/528001705.db2.gz DJPMFQVGICFRIX-UHFFFAOYSA-N 0 1 325.796 2.662 20 5 EFBDMN CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccco1 ZINC000178180438 528279178 /nfs/dbraw/zinc/27/91/78/528279178.db2.gz XMHJKGXVDFCCTC-CQSZACIVSA-N 0 1 346.387 2.583 20 5 EFBDMN 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EFBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000844642211 1279161965 /nfs/dbraw/zinc/16/19/65/1279161965.db2.gz HYTYJSLTKCXDSS-MXWKQRLJSA-N 0 1 325.796 2.801 20 5 EFBDMN C[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000793216007 1279446329 /nfs/dbraw/zinc/44/63/29/1279446329.db2.gz SKERFZMIDJQHMB-JTQLQIEISA-N 0 1 327.356 2.737 20 5 EFBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CCS(C)(=O)=O ZINC000872045351 1287410874 /nfs/dbraw/zinc/41/08/74/1287410874.db2.gz ZSZPYNCAPCGFNQ-QWRGUYRKSA-N 0 1 346.474 2.791 20 5 EFBDMN Nc1ccc(N2CCC(CCCN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000804603024 1280308427 /nfs/dbraw/zinc/30/84/27/1280308427.db2.gz KQXXLFWIRICEGY-UHFFFAOYSA-N 0 1 348.447 2.506 20 5 EFBDMN Cc1cc(C2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000804607829 1280311956 /nfs/dbraw/zinc/31/19/56/1280311956.db2.gz ZHAHNKVQYYRBFT-UHFFFAOYSA-N 0 1 331.332 2.919 20 5 EFBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC=C(c3ccccn3)C2)c1 ZINC000846923353 1280620447 /nfs/dbraw/zinc/62/04/47/1280620447.db2.gz OLXHXWGLFPBHAA-SFHVURJKSA-N 0 1 325.368 2.813 20 5 EFBDMN COCC(C)(C)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000822497930 1289016261 /nfs/dbraw/zinc/01/62/61/1289016261.db2.gz ONWHFSMZDCXINS-UHFFFAOYSA-N 0 1 341.839 2.791 20 5 EFBDMN CCCCC(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147015314 1281088788 /nfs/dbraw/zinc/08/87/88/1281088788.db2.gz MVFVQDPUDRJZOO-UHFFFAOYSA-N 0 1 331.416 2.819 20 5 EFBDMN CC/C(C)=C/C(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147490520 1281196569 /nfs/dbraw/zinc/19/65/69/1281196569.db2.gz MNKPDKKJBLMASU-XNTDXEJSSA-N 0 1 343.427 2.985 20 5 EFBDMN CC/C(C)=C\C(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147490519 1281196678 /nfs/dbraw/zinc/19/66/78/1281196678.db2.gz MNKPDKKJBLMASU-GDNBJRDFSA-N 0 1 343.427 2.985 20 5 EFBDMN CCCc1occc1C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001147748094 1281262937 /nfs/dbraw/zinc/26/29/37/1281262937.db2.gz HQUZHHUUBGYWCZ-UHFFFAOYSA-N 0 1 337.401 2.721 20 5 EFBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 ZINC001130930860 1281304889 /nfs/dbraw/zinc/30/48/89/1281304889.db2.gz BRGGKHXELMUPCB-UHFFFAOYSA-N 0 1 338.367 2.596 20 5 EFBDMN COc1cccc2c(C(=O)OCc3cccc([N+](=O)[O-])c3)[nH]nc21 ZINC000808672627 1281854984 /nfs/dbraw/zinc/85/49/84/1281854984.db2.gz CZCBOLVKJUBYEP-UHFFFAOYSA-N 0 1 327.296 2.837 20 5 EFBDMN CN1CCN(c2ccc(Nc3cc([N+](=O)[O-])ccc3F)nc2)CC1 ZINC001175735521 1287532909 /nfs/dbraw/zinc/53/29/09/1287532909.db2.gz WGOXQVXILUFLLM-UHFFFAOYSA-N 0 1 331.351 2.624 20 5 EFBDMN O=[N+]([O-])c1ccc([C@@H](O)CNCc2nc3c(s2)CCCC3)cc1 ZINC000809732654 1282409884 /nfs/dbraw/zinc/40/98/84/1282409884.db2.gz ISNLPXPPXWSPAW-AWEZNQCLSA-N 0 1 333.413 2.753 20 5 EFBDMN CC(C)(C(=O)NCCNCc1csc([N+](=O)[O-])c1)C1CCC1 ZINC001131940474 1282605394 /nfs/dbraw/zinc/60/53/94/1282605394.db2.gz CZJWTBOLYFTLKF-UHFFFAOYSA-N 0 1 325.434 2.688 20 5 EFBDMN CSc1nc(=O)n(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH]1 ZINC000809964455 1282652433 /nfs/dbraw/zinc/65/24/33/1282652433.db2.gz RSYHVCWQPRQORN-UHFFFAOYSA-N 0 1 335.172 2.557 20 5 EFBDMN Cc1cccc(CCC(=O)NCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001131970075 1282692870 /nfs/dbraw/zinc/69/28/70/1282692870.db2.gz ZORQIDGGICYAJE-UHFFFAOYSA-N 0 1 347.440 2.803 20 5 EFBDMN C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555658 1287595082 /nfs/dbraw/zinc/59/50/82/1287595082.db2.gz DWUCNLPZLXAJCX-GFCCVEGCSA-N 0 1 342.399 2.730 20 5 EFBDMN C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596577 1287622651 /nfs/dbraw/zinc/62/26/51/1287622651.db2.gz YAPMACXULWLGKX-MLGOLLRUSA-N 0 1 346.431 2.761 20 5 EFBDMN CC(C)(C)C(C)(C)C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001132408012 1283504046 /nfs/dbraw/zinc/50/40/46/1283504046.db2.gz YIZJBNXMAVCMKC-UHFFFAOYSA-N 0 1 327.450 2.934 20 5 EFBDMN O=C(OC[C@H]1CCN(c2ccccc2F)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000810916735 1283783314 /nfs/dbraw/zinc/78/33/14/1283783314.db2.gz UDDPIGOLBYPLPE-NSHDSACASA-N 0 1 333.319 2.745 20 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/nfs/dbraw/zinc/45/59/98/1286455998.db2.gz WEBMTLURJBPTFJ-LLVKDONJSA-N 0 1 326.368 2.520 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC(OC)CC2)c1F ZINC001173184171 1286456081 /nfs/dbraw/zinc/45/60/81/1286456081.db2.gz LTBMBZJIPRTUIF-LLVKDONJSA-N 0 1 326.368 2.784 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC(OC)CC2)c1F ZINC001173184174 1286457093 /nfs/dbraw/zinc/45/70/93/1286457093.db2.gz LTBMBZJIPRTUIF-NSHDSACASA-N 0 1 326.368 2.784 20 5 EFBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(CNC(=O)OC(C)(C)C)C1 ZINC001173221998 1286475456 /nfs/dbraw/zinc/47/54/56/1286475456.db2.gz ODEDFXMELLCGAD-ZDUSSCGKSA-N 0 1 349.431 2.982 20 5 EFBDMN CC(C)(C)c1nnc(COC(=O)CCNc2ccccc2[N+](=O)[O-])[nH]1 ZINC000814436189 1286590864 /nfs/dbraw/zinc/59/08/64/1286590864.db2.gz WVGSLSOTWZWVPI-UHFFFAOYSA-N 0 1 347.375 2.556 20 5 EFBDMN CC(C)(C)c1nc(COC(=O)CCNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000814436189 1286590868 /nfs/dbraw/zinc/59/08/68/1286590868.db2.gz WVGSLSOTWZWVPI-UHFFFAOYSA-N 0 1 347.375 2.556 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821781885 1288795432 /nfs/dbraw/zinc/79/54/32/1288795432.db2.gz OWUOOBSFQMGUDC-OIISXLGYSA-N 0 1 331.416 2.641 20 5 EFBDMN CN(C)[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccsc1 ZINC000824003190 1289498184 /nfs/dbraw/zinc/49/81/84/1289498184.db2.gz RUFOPRUVBGLRRY-CQSZACIVSA-N 0 1 349.416 2.663 20 5 EFBDMN Cc1c(CNCC(=O)N2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000873044771 1289537965 /nfs/dbraw/zinc/53/79/65/1289537965.db2.gz AYMWKDMAMVDSQH-UHFFFAOYSA-N 0 1 325.368 2.582 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](n1cncn1)C(F)(F)F ZINC000873150225 1289602890 /nfs/dbraw/zinc/60/28/90/1289602890.db2.gz IDJZUFSXKTVQNP-ZDUSSCGKSA-N 0 1 343.309 2.696 20 5 EFBDMN CSc1cccc(C(=O)OCc2nc(C(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000795536485 1290051327 /nfs/dbraw/zinc/05/13/27/1290051327.db2.gz SSECDXLUGJTAQN-UHFFFAOYSA-N 0 1 336.373 2.915 20 5 EFBDMN CSc1cccc(C(=O)OCc2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000795536485 1290051338 /nfs/dbraw/zinc/05/13/38/1290051338.db2.gz SSECDXLUGJTAQN-UHFFFAOYSA-N 0 1 336.373 2.915 20 5 EFBDMN O=[N+]([O-])c1nc[nH]c1-c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001212893222 1290627914 /nfs/dbraw/zinc/62/79/14/1290627914.db2.gz SBRIRPGBWJYOGK-UHFFFAOYSA-N 0 1 327.634 2.967 20 5 EFBDMN Cc1ccc2[nH]nc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c2c1 ZINC000097255640 1290676856 /nfs/dbraw/zinc/67/68/56/1290676856.db2.gz XBEHVYACIQGGAD-UHFFFAOYSA-N 0 1 339.355 2.621 20 5 EFBDMN CC(C)C[C@@H](O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000876987735 1291099188 /nfs/dbraw/zinc/09/91/88/1291099188.db2.gz HQIDZGKMEQTLEY-MRVPVSSYSA-N 0 1 337.239 2.915 20 5 EFBDMN Cc1nn(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000795691914 1291205622 /nfs/dbraw/zinc/20/56/22/1291205622.db2.gz CYLYLIICVYGHMW-BRWVUGGUSA-N 0 1 342.399 2.562 20 5 EFBDMN Cc1n[nH]c(C2CC2)c1-c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212959252 1291246976 /nfs/dbraw/zinc/24/69/76/1291246976.db2.gz AOVGBYBKRLDGDV-UHFFFAOYSA-N 0 1 330.279 2.755 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC(C2CC2)C2CC2)c1 ZINC000795776705 1291440477 /nfs/dbraw/zinc/44/04/77/1291440477.db2.gz JWIOEDZZLJHPFP-UHFFFAOYSA-N 0 1 348.783 2.854 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCC2CCC2)c1 ZINC000795880651 1291600634 /nfs/dbraw/zinc/60/06/34/1291600634.db2.gz KHWHJPPDLFIQDS-UHFFFAOYSA-N 0 1 336.772 2.856 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)o1 ZINC000878291894 1291605979 /nfs/dbraw/zinc/60/59/79/1291605979.db2.gz RDFGJBDSPBOFKC-OLZOCXBDSA-N 0 1 344.371 2.503 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@@H]([C@H]3CCOC3)C2)o1 ZINC000878291894 1291605986 /nfs/dbraw/zinc/60/59/86/1291605986.db2.gz RDFGJBDSPBOFKC-OLZOCXBDSA-N 0 1 344.371 2.503 20 5 EFBDMN N[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1(F)F ZINC001166961193 1312872644 /nfs/dbraw/zinc/87/26/44/1312872644.db2.gz MJAJTGMOCGEKBD-ZDUSSCGKSA-N 0 1 334.326 2.830 20 5 EFBDMN COC[C@@]1(C)CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878663432 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COc1ccc(CN(CCCO)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000934509492 715572755 /nfs/dbraw/zinc/57/27/55/715572755.db2.gz XZMAFEKJLRPRCB-UHFFFAOYSA-N 0 1 330.384 2.988 20 5 EFBDMN Cc1cc(F)cc(C(=O)N2CCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000176734769 715721058 /nfs/dbraw/zinc/72/10/58/715721058.db2.gz GLISLGVNJMZVNA-UHFFFAOYSA-N 0 1 335.379 2.743 20 5 EFBDMN C/C=C(/C)C(=O)N1CC2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981698377 718954230 /nfs/dbraw/zinc/95/42/30/718954230.db2.gz BWESNNSPWSNFSO-CQPUUCJISA-N 0 1 343.427 2.985 20 5 EFBDMN COC(=O)N1CCC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892807872 719198707 /nfs/dbraw/zinc/19/87/07/719198707.db2.gz ZMJDYCXKEUWYSR-LBPRGKRZSA-N 0 1 327.768 2.569 20 5 EFBDMN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1cccs1 ZINC001025659113 719291148 /nfs/dbraw/zinc/29/11/48/719291148.db2.gz BRESSPHJGTWZMV-VIKVFOODSA-N 0 1 343.408 2.517 20 5 EFBDMN CC1(C)CC(C(=O)N[C@@H]2[C@H]3CN(Cc4cccc([N+](=O)[O-])c4)C[C@H]32)C1 ZINC001025764719 719310344 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AXRJDGVVWWFRAT-UHFFFAOYSA-N 0 1 342.399 2.911 20 5 EFBDMN CC(C)N(C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])ccn1)[C@H]2C ZINC001164862273 720921688 /nfs/dbraw/zinc/92/16/88/720921688.db2.gz VKQAGGZQERIOKV-ZDUSSCGKSA-N 0 1 344.419 2.608 20 5 EFBDMN Cc1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(F)c1 ZINC000047417781 721065957 /nfs/dbraw/zinc/06/59/57/721065957.db2.gz RDQNNLOZPHPUIE-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)nc2)cc([N+](=O)[O-])c1F ZINC000154430433 728756298 /nfs/dbraw/zinc/75/62/98/728756298.db2.gz RAOBNZMQKKVHAO-UHFFFAOYSA-N 0 1 345.739 2.892 20 5 EFBDMN CCOC1CC2(C1)CCN(Cc1ccc(O)c(OC)c1[N+](=O)[O-])C2 ZINC000894424038 722732820 /nfs/dbraw/zinc/73/28/20/722732820.db2.gz WCMVEBMBMYEQDY-UHFFFAOYSA-N 0 1 336.388 2.700 20 5 EFBDMN O=[N+]([O-])c1nn(CN(C2CC2)C2CCCC2)cc1Br ZINC000917615201 728768517 /nfs/dbraw/zinc/76/85/17/728768517.db2.gz IMCXTDXAMRGFKM-UHFFFAOYSA-N 0 1 329.198 2.918 20 5 EFBDMN COc1c(O)ccc(CN2CCC[C@](CO)(C(C)C)C2)c1[N+](=O)[O-] ZINC000894645389 722807430 /nfs/dbraw/zinc/80/74/30/722807430.db2.gz LQAGSWCSJZGLJQ-KRWDZBQOSA-N 0 1 338.404 2.540 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC(F)(F)F)cc1F ZINC000866900110 723179991 /nfs/dbraw/zinc/17/99/91/723179991.db2.gz SKFWHXSROCUXDK-UHFFFAOYSA-N 0 1 344.286 2.663 20 5 EFBDMN CN(Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)C(C)(C)F)CC1 ZINC000985200218 723968721 /nfs/dbraw/zinc/96/87/21/723968721.db2.gz KZEOQSLIGZVKKF-UHFFFAOYSA-N 0 1 343.424 2.827 20 5 EFBDMN C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)CC2CC2)CC1 ZINC000985207472 723988445 /nfs/dbraw/zinc/98/84/45/723988445.db2.gz XVISJTCKTAWOFE-UHFFFAOYSA-N 0 1 331.416 2.818 20 5 EFBDMN CC(C)(C)[N@H+]1CC[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000897139257 724049156 /nfs/dbraw/zinc/04/91/56/724049156.db2.gz JOYLDXZJGCGEJK-INIZCTEOSA-N 0 1 331.416 2.959 20 5 EFBDMN CC(C)(C)N1CC[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000897139257 724049159 /nfs/dbraw/zinc/04/91/59/724049159.db2.gz JOYLDXZJGCGEJK-INIZCTEOSA-N 0 1 331.416 2.959 20 5 EFBDMN O=C(N=c1sccn1Cc1ccccc1F)c1ccc([N+](=O)[O-])[nH]1 ZINC000728527084 724083011 /nfs/dbraw/zinc/08/30/11/724083011.db2.gz UBXVOYBEZPRUBN-UHFFFAOYSA-N 0 1 346.343 2.714 20 5 EFBDMN Cc1cccc(-c2nnc(COC(=O)c3ccc([N+](=O)[O-])[nH]3)o2)c1 ZINC000729211485 725540981 /nfs/dbraw/zinc/54/09/81/725540981.db2.gz JXRIGZRPJATLRP-UHFFFAOYSA-N 0 1 328.284 2.638 20 5 EFBDMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000263546927 725880089 /nfs/dbraw/zinc/88/00/89/725880089.db2.gz HSTXYJQGZZIOFA-GFCCVEGCSA-N 0 1 341.795 2.624 20 5 EFBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)nc2)ccc1Cl ZINC000152787164 726256117 /nfs/dbraw/zinc/25/61/17/726256117.db2.gz WHRWQBKKDBRBRQ-UHFFFAOYSA-N 0 1 331.712 2.583 20 5 EFBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CCCN(C)CC1 ZINC000888284967 727226991 /nfs/dbraw/zinc/22/69/91/727226991.db2.gz PWAFNUUEVWEGDY-UHFFFAOYSA-N 0 1 326.784 2.726 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000909261709 727354451 /nfs/dbraw/zinc/35/44/51/727354451.db2.gz LQMILRGRCPGANQ-JTQLQIEISA-N 0 1 343.786 2.944 20 5 EFBDMN CCN1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910269764 727425564 /nfs/dbraw/zinc/42/55/64/727425564.db2.gz HABXUCOKEWPKGH-AWEZNQCLSA-N 0 1 347.415 2.500 20 5 EFBDMN CCN1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910284209 727427344 /nfs/dbraw/zinc/42/73/44/727427344.db2.gz OJVUBEIFQGIJRD-GFCCVEGCSA-N 0 1 341.358 2.629 20 5 EFBDMN C[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000910342833 727432459 /nfs/dbraw/zinc/43/24/59/727432459.db2.gz ADGKWZPJMOVDBU-STQMWFEESA-N 0 1 335.404 2.897 20 5 EFBDMN C[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000910342832 727432472 /nfs/dbraw/zinc/43/24/72/727432472.db2.gz ADGKWZPJMOVDBU-QWHCGFSZSA-N 0 1 335.404 2.897 20 5 EFBDMN CN(CC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910345401 727432741 /nfs/dbraw/zinc/43/27/41/727432741.db2.gz MNBPTFUTHDALBZ-UHFFFAOYSA-N 0 1 335.404 2.994 20 5 EFBDMN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000913103179 727783107 /nfs/dbraw/zinc/78/31/07/727783107.db2.gz KTLDPKGOOAGSEZ-ZFWWWQNUSA-N 0 1 343.383 2.828 20 5 EFBDMN Cc1cccc2c1CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000170921985 728496106 /nfs/dbraw/zinc/49/61/06/728496106.db2.gz VACZZNLIFFZCPA-QGZVFWFLSA-N 0 1 342.395 2.701 20 5 EFBDMN O=C(CN1CCC2(CCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173822786 728636340 /nfs/dbraw/zinc/63/63/40/728636340.db2.gz KSRIWAVGSNDIIV-UHFFFAOYSA-N 0 1 329.400 2.750 20 5 EFBDMN O=C1[C@@H](N2CCC3(CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000173827578 728636495 /nfs/dbraw/zinc/63/64/95/728636495.db2.gz RBEYTQASNPPKDQ-INIZCTEOSA-N 0 1 329.400 2.966 20 5 EFBDMN O=C([O-])c1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC001595244843 949507458 /nfs/dbraw/zinc/50/74/58/949507458.db2.gz WGJHFHRKNHYTFC-UHFFFAOYSA-N 0 1 327.296 2.724 20 5 EFBDMN CCC[N@@H+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1Br ZINC000233006590 949795881 /nfs/dbraw/zinc/79/58/81/949795881.db2.gz WSCJVLGCCCSSCY-UHFFFAOYSA-N 0 1 331.166 2.654 20 5 EFBDMN O=C([O-])C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Br)C1CCC1 ZINC001595072860 951612848 /nfs/dbraw/zinc/61/28/48/951612848.db2.gz QWUYFTCXZLIDRS-UHFFFAOYSA-N 0 1 343.177 2.796 20 5 EFBDMN CC[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)[C@H](C)C(=O)[O-] ZINC000707972592 954989325 /nfs/dbraw/zinc/98/93/25/954989325.db2.gz NYGJYXZFYKTNIL-MRVPVSSYSA-N 0 1 331.166 2.652 20 5 EFBDMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923233052 957103865 /nfs/dbraw/zinc/10/38/65/957103865.db2.gz XZYXNIBJZCHDBP-GFCCVEGCSA-N 0 1 343.177 2.796 20 5 EFBDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1Br ZINC000062742853 957606249 /nfs/dbraw/zinc/60/62/49/957606249.db2.gz ICNVJEAANYFADZ-UHFFFAOYSA-N 0 1 345.193 2.900 20 5 EFBDMN COc1cc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001594056226 958039683 /nfs/dbraw/zinc/03/96/83/958039683.db2.gz JOQSHTRVLORMHL-LLVKDONJSA-N 0 1 340.351 2.819 20 5 EFBDMN COc1cc(C[N@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001594057447 958049362 /nfs/dbraw/zinc/04/93/62/958049362.db2.gz ODZHVGIXYWDRED-BXKDBHETSA-N 0 1 326.324 2.570 20 5 EFBDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162332648 959208329 /nfs/dbraw/zinc/20/83/29/959208329.db2.gz DVYQLRPPLCLSFD-UHFFFAOYSA-N 0 1 331.166 2.652 20 5 EFBDMN C[C@@H](C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000162334395 959209012 /nfs/dbraw/zinc/20/90/12/959209012.db2.gz WCTHNASEPIOARS-QMMMGPOBSA-N 0 1 331.166 2.510 20 5 EFBDMN Cc1c(NC(=O)CC[N@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001594265123 959736601 /nfs/dbraw/zinc/73/66/01/959736601.db2.gz WMRZQDYLVHTALS-IAQYHMDHSA-N 0 1 349.387 2.559 20 5 EFBDMN O=C([O-])COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001333136218 961650559 /nfs/dbraw/zinc/65/05/59/961650559.db2.gz ICYAUMWZERGNKE-UHFFFAOYSA-N 0 1 342.351 2.617 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001333136218 961650570 /nfs/dbraw/zinc/65/05/70/961650570.db2.gz ICYAUMWZERGNKE-UHFFFAOYSA-N 0 1 342.351 2.617 20 5 EFBDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Br)[C@H](C)C(=O)[O-] ZINC000707972821 969031231 /nfs/dbraw/zinc/03/12/31/969031231.db2.gz PQCAHUUHXHLZIZ-MRVPVSSYSA-N 0 1 331.166 2.652 20 5 EFBDMN C[C@@H](C[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1)C(=O)[O-] ZINC001592609707 978557301 /nfs/dbraw/zinc/55/73/01/978557301.db2.gz JRVUMGKNXBBHMP-LBPRGKRZSA-N 0 1 344.371 2.601 20 5 EFBDMN CCC[N@H+]1CC[C@@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844208396 979357823 /nfs/dbraw/zinc/35/78/23/979357823.db2.gz QXBBTAXXUYMXFW-SDQPKGBYSA-N 0 1 333.388 2.836 20 5 EFBDMN CC(C)(C)[N@H+]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844208655 979359136 /nfs/dbraw/zinc/35/91/36/979359136.db2.gz OHCHDAUNJNMPIK-UHFFFAOYSA-N 0 1 335.404 2.533 20 5 EFBDMN CC(C)[N@H+]1CC[C@@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844209054 979360852 /nfs/dbraw/zinc/36/08/52/979360852.db2.gz ZOMJXFRGGRNBGP-SDQPKGBYSA-N 0 1 333.388 2.835 20 5 EFBDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000901588221 980394568 /nfs/dbraw/zinc/39/45/68/980394568.db2.gz BRXVAFDROXDBLW-UHFFFAOYSA-N 0 1 332.303 2.739 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC000901886810 980599758 /nfs/dbraw/zinc/59/97/58/980599758.db2.gz AZTKEPMJCUJNKC-YRBHFNIASA-N 0 1 336.413 2.748 20 5 EFBDMN O=C([O-])c1cnc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000903928032 981047152 /nfs/dbraw/zinc/04/71/52/981047152.db2.gz OQPOFXAAVOQGAU-LLVKDONJSA-N 0 1 333.369 2.739 20 5 EFBDMN C[C@@H](C[NH2+]C1CCN(CCCC(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC000905778928 981150355 /nfs/dbraw/zinc/15/03/55/981150355.db2.gz ZNHDGSBMBSIARJ-AWEZNQCLSA-N 0 1 349.431 2.617 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001589001449 984944458 /nfs/dbraw/zinc/94/44/58/984944458.db2.gz JUFWCBVXQSHUOL-GQPJMJRUSA-N 0 1 348.399 2.952 20 5 EFBDMN C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC001594534858 986144625 /nfs/dbraw/zinc/14/46/25/986144625.db2.gz KWNPXCJBUGMSMP-CYBMUJFWSA-N 0 1 347.415 2.599 20 5 EFBDMN C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001594536688 986155480 /nfs/dbraw/zinc/15/54/80/986155480.db2.gz RVLAIEWDGBERHD-ZDUSSCGKSA-N 0 1 347.415 2.742 20 5 EFBDMN CCc1[nH]c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001597380455 987573613 /nfs/dbraw/zinc/57/36/13/987573613.db2.gz LPCHEIWQHAQMOD-UHFFFAOYSA-N 0 1 331.372 2.858 20 5 EFBDMN C[NH+](C)CCCC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001598213647 990865838 /nfs/dbraw/zinc/86/58/38/990865838.db2.gz VDOJGYJLENAMOW-UHFFFAOYSA-N 0 1 349.431 2.847 20 5 EFBDMN C[N@@H+](CCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC001598498800 992401709 /nfs/dbraw/zinc/40/17/09/992401709.db2.gz PQNQYTQPYLTEGR-UHFFFAOYSA-N 0 1 330.340 2.804 20 5 EFBDMN C[N@@H+](CCSc1nccc(C(=O)[O-])c1[N+](=O)[O-])Cc1ccccc1 ZINC001598500456 992428790 /nfs/dbraw/zinc/42/87/90/992428790.db2.gz ABLCYUHEHIZLQD-UHFFFAOYSA-N 0 1 347.396 2.912 20 5 EFBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(OCC(=O)[O-])cc1 ZINC001598501783 992444111 /nfs/dbraw/zinc/44/41/11/992444111.db2.gz GQZXZGAKFIWVEF-UHFFFAOYSA-N 0 1 344.367 2.733 20 5 EFBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001598502479 992453174 /nfs/dbraw/zinc/45/31/74/992453174.db2.gz XWWWWTVIVSIRDH-BQYQJAHWSA-N 0 1 330.340 2.960 20 5 EFBDMN C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(C(=O)[O-])cc1 ZINC001598513853 992596964 /nfs/dbraw/zinc/59/69/64/992596964.db2.gz CKFFQSIFBASASO-UHFFFAOYSA-N 0 1 340.339 2.801 20 5 EFBDMN C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(C(=O)[O-])cc1 ZINC001598513853 992596972 /nfs/dbraw/zinc/59/69/72/992596972.db2.gz CKFFQSIFBASASO-UHFFFAOYSA-N 0 1 340.339 2.801 20 5 EFBDMN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001598523797 992693299 /nfs/dbraw/zinc/69/32/99/992693299.db2.gz OIZLGYDVTVWUKG-UHFFFAOYSA-N 0 1 330.340 2.690 20 5 EFBDMN CC(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001591622561 992888862 /nfs/dbraw/zinc/88/88/62/992888862.db2.gz FGYZZMHOOFXSHJ-VIFPVBQESA-N 0 1 327.768 2.841 20 5 EFBDMN COc1cc(C[N@@H+](CCC(=O)[O-])CC(C)C)c([N+](=O)[O-])cc1F ZINC001599406441 997313992 /nfs/dbraw/zinc/31/39/92/997313992.db2.gz FFSDDWFKTLBBIA-UHFFFAOYSA-N 0 1 328.340 2.675 20 5 EFBDMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC001594103445 998136587 /nfs/dbraw/zinc/13/65/87/998136587.db2.gz WLZPEHIMQOKTJU-GOEBONIOSA-N 0 1 346.383 2.922 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001599461899 998286485 /nfs/dbraw/zinc/28/64/85/998286485.db2.gz FODWOMCSWZGCEU-UHFFFAOYSA-N 0 1 342.351 2.860 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001599461899 998286490 /nfs/dbraw/zinc/28/64/90/998286490.db2.gz FODWOMCSWZGCEU-UHFFFAOYSA-N 0 1 342.351 2.860 20 5 EFBDMN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC[N@H+]1C ZINC001594267459 999037405 /nfs/dbraw/zinc/03/74/05/999037405.db2.gz YCIRPBWDCWWEQK-IUCAKERBSA-N 0 1 327.768 2.841 20 5 EFBDMN C[C@@](N)(C(=O)NCc1cscc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001576086008 1088919543 /nfs/dbraw/zinc/91/95/43/1088919543.db2.gz OLHDLGOGJHTIMS-AWEZNQCLSA-N 0 1 339.804 2.800 20 5 EFBDMN O=C(NC1(c2c[nH]nn2)CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001577977119 1090225492 /nfs/dbraw/zinc/22/54/92/1090225492.db2.gz UIOMXAHKMSNYHZ-UHFFFAOYSA-N 0 1 335.751 2.566 20 5 EFBDMN C[C@H](N[C@@H](C)c1cc(-c2nn[nH]n2)ccn1)c1ccc([N+](=O)[O-])cc1 ZINC001589974046 1093205086 /nfs/dbraw/zinc/20/50/86/1093205086.db2.gz OIGIIRZKURKBFH-QWRGUYRKSA-N 0 1 339.359 2.582 20 5 EFBDMN Cc1c(C(=O)[O-])cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC001599994393 1094707959 /nfs/dbraw/zinc/70/79/59/1094707959.db2.gz XHEVJMVPPRHQBF-UHFFFAOYSA-N 0 1 337.763 2.883 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](C)[N@H+]2CCCC[C@H]2C)n1 ZINC001600107635 1094775811 /nfs/dbraw/zinc/77/58/11/1094775811.db2.gz ZUUUPULIYDYWJC-VXGBXAGGSA-N 0 1 336.392 2.671 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001600304904 1094957155 /nfs/dbraw/zinc/95/71/55/1094957155.db2.gz USNRVSLHXPYAFO-ZDUSSCGKSA-N 0 1 332.278 2.742 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CC(=O)[O-])C1CCCCC1 ZINC001600552478 1095158363 /nfs/dbraw/zinc/15/83/63/1095158363.db2.gz UZXYOABRIGXAIB-UHFFFAOYSA-N 0 1 349.387 2.561 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC001600552478 1095158369 /nfs/dbraw/zinc/15/83/69/1095158369.db2.gz UZXYOABRIGXAIB-UHFFFAOYSA-N 0 1 349.387 2.561 20 5 EFBDMN Cc1nn(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c2cc([N+](=O)[O-])ccc12 ZINC001600788923 1095334613 /nfs/dbraw/zinc/33/46/13/1095334613.db2.gz KWSBUNHRYXZBSP-GFCCVEGCSA-N 0 1 332.360 2.540 20 5 EFBDMN Cc1cc(C(=O)N(C)CCCN(C)c2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC001112033168 1095334819 /nfs/dbraw/zinc/33/48/19/1095334819.db2.gz SYYVBOVBBBNZGG-UHFFFAOYSA-N 0 1 345.403 2.533 20 5 EFBDMN O=C([O-])C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001602053512 1096042105 /nfs/dbraw/zinc/04/21/05/1096042105.db2.gz YNVRQNPFSXHCMF-UHFFFAOYSA-N 0 1 349.387 2.643 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC001602082378 1096050752 /nfs/dbraw/zinc/05/07/52/1096050752.db2.gz QZAXABXAMGWDRD-KGLIPLIRSA-N 0 1 334.372 2.823 20 5 EFBDMN O=C([O-])Cc1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001602126438 1096079003 /nfs/dbraw/zinc/07/90/03/1096079003.db2.gz FDHPZWRSNXVBPU-HIFRSBDPSA-N 0 1 333.388 2.651 20 5 EFBDMN O=C([O-])[C@H]1[C@@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC001602203804 1096116130 /nfs/dbraw/zinc/11/61/30/1096116130.db2.gz AYIFXFIVXIGJBX-FOLVSLTJSA-N 0 1 328.324 2.617 20 5 EFBDMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC001602223066 1096123996 /nfs/dbraw/zinc/12/39/96/1096123996.db2.gz PDAXLJWPVFRRQT-CJNGLKHVSA-N 0 1 331.328 2.565 20 5 EFBDMN O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001602299489 1096165616 /nfs/dbraw/zinc/16/56/16/1096165616.db2.gz XFPJVAMFGLHWHD-JTQLQIEISA-N 0 1 339.779 2.843 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001602404827 1096224037 /nfs/dbraw/zinc/22/40/37/1096224037.db2.gz BCZHVFYSJJTJOE-AWEZNQCLSA-N 0 1 333.388 2.969 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001602404829 1096224225 /nfs/dbraw/zinc/22/42/25/1096224225.db2.gz BCZHVFYSJJTJOE-CQSZACIVSA-N 0 1 333.388 2.969 20 5 EFBDMN C/C(=C\C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)C(=O)[O-] ZINC001602963073 1096409939 /nfs/dbraw/zinc/40/99/39/1096409939.db2.gz SFBZJZPVUDEVTC-BJFMEQNYSA-N 0 1 348.399 2.731 20 5 EFBDMN CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001603345286 1096509838 /nfs/dbraw/zinc/50/98/38/1096509838.db2.gz HLHMDRMFCKNMBJ-SCXUMTSISA-N 0 1 333.388 2.977 20 5 EFBDMN CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001603343943 1096510033 /nfs/dbraw/zinc/51/00/33/1096510033.db2.gz CLBIGTBQCCGTCU-SCXUMTSISA-N 0 1 333.388 2.977 20 5 EFBDMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604383272 1096834910 /nfs/dbraw/zinc/83/49/10/1096834910.db2.gz ITFMFGLGLLQRPX-SWLSCSKDSA-N 0 1 336.388 2.809 20 5 EFBDMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC001604754017 1096948042 /nfs/dbraw/zinc/94/80/42/1096948042.db2.gz PBKAFCZTRSDNAJ-BLLLJJGKSA-N 0 1 344.371 2.573 20 5 EFBDMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC001604754019 1096948437 /nfs/dbraw/zinc/94/84/37/1096948437.db2.gz PBKAFCZTRSDNAJ-MLGOLLRUSA-N 0 1 344.371 2.573 20 5 EFBDMN Cc1ccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001605856395 1097254856 /nfs/dbraw/zinc/25/48/56/1097254856.db2.gz MELCDYZGEYSMCN-LBPRGKRZSA-N 0 1 338.371 2.934 20 5 EFBDMN C[N@H+]1CCCC[C@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001606225956 1097355794 /nfs/dbraw/zinc/35/57/94/1097355794.db2.gz NIWWMKGXYCIURI-IZPAUZPXSA-N 0 1 333.388 2.836 20 5 EFBDMN COc1cc(C[N@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1O ZINC001607156821 1097546966 /nfs/dbraw/zinc/54/69/66/1097546966.db2.gz ORUBPALUYLNZLQ-UHFFFAOYSA-N 0 1 346.339 2.639 20 5 EFBDMN COc1cc(C[N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1O ZINC001607156821 1097546972 /nfs/dbraw/zinc/54/69/72/1097546972.db2.gz ORUBPALUYLNZLQ-UHFFFAOYSA-N 0 1 346.339 2.639 20 5 EFBDMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001607445972 1097629835 /nfs/dbraw/zinc/62/98/35/1097629835.db2.gz SCSPEKSNAQEBRY-DGCLKSJQSA-N 0 1 345.355 2.935 20 5 EFBDMN Cc1[nH+]c2cc(Nc3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])ccc2n1C ZINC001607587025 1097666968 /nfs/dbraw/zinc/66/69/68/1097666968.db2.gz GIGNQZWPOZLSIK-UHFFFAOYSA-N 0 1 341.327 2.935 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CC(=O)[O-])C1CCCCC1 ZINC001607826689 1097744615 /nfs/dbraw/zinc/74/46/15/1097744615.db2.gz YFJNQOUDTXZDDZ-UHFFFAOYSA-N 0 1 349.387 2.561 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC001607826689 1097744621 /nfs/dbraw/zinc/74/46/21/1097744621.db2.gz YFJNQOUDTXZDDZ-UHFFFAOYSA-N 0 1 349.387 2.561 20 5 EFBDMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001608580393 1097960732 /nfs/dbraw/zinc/96/07/32/1097960732.db2.gz CHXVVFBGUOTBGS-GOSISDBHSA-N 0 1 344.342 2.962 20 5 EFBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC001608809234 1098029101 /nfs/dbraw/zinc/02/91/01/1098029101.db2.gz YDUMJWZEODYZHR-HZPDHXFCSA-N 0 1 342.351 2.601 20 5 EFBDMN O=C([O-])[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC001608809234 1098029107 /nfs/dbraw/zinc/02/91/07/1098029107.db2.gz YDUMJWZEODYZHR-HZPDHXFCSA-N 0 1 342.351 2.601 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[NH+]2CCC(c3ncco3)CC2)c1 ZINC001608914528 1098069540 /nfs/dbraw/zinc/06/95/40/1098069540.db2.gz VNGMVPSPTYXRNU-UHFFFAOYSA-N 0 1 331.328 2.661 20 5 EFBDMN O=C([O-])c1ccnc(NC[C@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC001608953888 1098089583 /nfs/dbraw/zinc/08/95/83/1098089583.db2.gz WXIKMQXYLYQVAA-GFCCVEGCSA-N 0 1 334.376 2.507 20 5 EFBDMN C[C@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001609784151 1098457142 /nfs/dbraw/zinc/45/71/42/1098457142.db2.gz ADOICKBBLVHEGC-RYUDHWBXSA-N 0 1 348.403 2.753 20 5 EFBDMN C[C@@H]1Cc2[nH+]cn(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])c2C[C@H]1C ZINC001609876755 1098482416 /nfs/dbraw/zinc/48/24/16/1098482416.db2.gz AHEQBLRAOJVEJX-GHMZBOCLSA-N 0 1 329.356 2.909 20 5 EFBDMN C[N@@H+](CCSc1nc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001610116780 1098551386 /nfs/dbraw/zinc/55/13/86/1098551386.db2.gz FITGFADCOLZNSS-UHFFFAOYSA-N 0 1 347.396 2.912 20 5 EFBDMN COc1cc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001610293242 1098605443 /nfs/dbraw/zinc/60/54/43/1098605443.db2.gz VRQDCPFGBBNWRX-INIZCTEOSA-N 0 1 330.340 2.861 20 5 EFBDMN Cc1[nH]c(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC001610401131 1098657479 /nfs/dbraw/zinc/65/74/79/1098657479.db2.gz DSYKPXGSENMAFD-JTQLQIEISA-N 0 1 345.355 2.771 20 5 EFBDMN CN1C[C@@H]2CCN(C(=O)c3ccc4oc5ccccc5c(=O)c4c3)[C@@H]2C1 ZINC001270370151 1099019338 /nfs/dbraw/zinc/01/93/38/1099019338.db2.gz WXKUFYRODFANRD-WMLDXEAASA-N 0 1 348.402 2.722 20 5 EFBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000839729595 1100307207 /nfs/dbraw/zinc/30/72/07/1100307207.db2.gz UCSGOPWHNJLGEM-GRYCIOLGSA-N 0 1 345.168 2.821 20 5 EFBDMN COc1ccc([C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000840284899 1100979941 /nfs/dbraw/zinc/97/99/41/1100979941.db2.gz AFAOAMZMYHVDNO-ZACQAIPSSA-N 0 1 344.342 2.705 20 5 EFBDMN CC(C)N(Cc1cccc(Br)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840285043 1100980096 /nfs/dbraw/zinc/98/00/96/1100980096.db2.gz CMKMIBXXFVGCTC-CHWSQXEVSA-N 0 1 341.205 2.851 20 5 EFBDMN O=C(OCc1cc(F)c(C(F)(F)F)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000906189967 1103993075 /nfs/dbraw/zinc/99/30/75/1103993075.db2.gz DCNQNUBKKOMLET-HZGVNTEJSA-N 0 1 325.189 2.692 20 5 EFBDMN CCOC(=O)C1CO[C@@H](C)C1=Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001168158280 1104045730 /nfs/dbraw/zinc/04/57/30/1104045730.db2.gz LUADVYQPZGDWCI-JTQLQIEISA-N 0 1 343.339 2.791 20 5 EFBDMN COc1c(O)ccc(CN[C@H](c2ccncc2)C2CC2)c1[N+](=O)[O-] ZINC000898321303 1106307962 /nfs/dbraw/zinc/30/79/62/1106307962.db2.gz QDCXWZQWOGSCGF-HNNXBMFYSA-N 0 1 329.356 2.945 20 5 EFBDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000138583233 1108851767 /nfs/dbraw/zinc/85/17/67/1108851767.db2.gz CNLFNFSRXJYBJV-UHFFFAOYSA-N 0 1 333.691 2.879 20 5 EFBDMN CC(C)N1CCC[C@@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000899218478 1109251057 /nfs/dbraw/zinc/25/10/57/1109251057.db2.gz GEAOMAQZPOYYDP-OAHLLOKOSA-N 0 1 328.372 2.954 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC(N2CCOCC2)CC1 ZINC000899910584 1109547768 /nfs/dbraw/zinc/54/77/68/1109547768.db2.gz IUGPHCINVIKIJH-UHFFFAOYSA-N 0 1 347.415 2.733 20 5 EFBDMN CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)c1cnc(C)[nH]1 ZINC001106705517 1111738225 /nfs/dbraw/zinc/73/82/25/1111738225.db2.gz DMASHQFWAOTRBT-UHFFFAOYSA-N 0 1 331.376 2.509 20 5 EFBDMN Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)c(C(=O)NCC(C)C)c1 ZINC000920336432 1112338242 /nfs/dbraw/zinc/33/82/42/1112338242.db2.gz IOVUJXSCXRWLOK-UHFFFAOYSA-N 0 1 345.355 2.836 20 5 EFBDMN CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)CCc1cnc[nH]1 ZINC001106979094 1118972065 /nfs/dbraw/zinc/97/20/65/1118972065.db2.gz DFRAVBNGEIRZLI-UHFFFAOYSA-N 0 1 345.403 2.520 20 5 EFBDMN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000056168235 214363403 /nfs/dbraw/zinc/36/34/03/214363403.db2.gz VFPVTKRHVPZPPK-JSGCOSHPSA-N 0 1 329.356 2.753 20 5 EFBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000056197392 214365086 /nfs/dbraw/zinc/36/50/86/214365086.db2.gz GASUEFNHTHIWNY-ZIAGYGMSSA-N 0 1 327.384 2.950 20 5 EFBDMN CC[C@@H]1C[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CCO1 ZINC000183646059 529420910 /nfs/dbraw/zinc/42/09/10/529420910.db2.gz BGCTXOWRWUEJIA-WCQYABFASA-N 0 1 345.359 2.524 20 5 EFBDMN CCc1[nH]nc(C(=O)Nc2nnc(C(CC)CC)s2)c1[N+](=O)[O-] ZINC000171398796 529469656 /nfs/dbraw/zinc/46/96/56/529469656.db2.gz ZZLSTJLTSGSHLF-UHFFFAOYSA-N 0 1 338.393 2.888 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000171951978 529465864 /nfs/dbraw/zinc/46/58/64/529465864.db2.gz DKDGATAVNMDRDP-UHFFFAOYSA-N 0 1 344.346 2.949 20 5 EFBDMN CC[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000132403226 529489173 /nfs/dbraw/zinc/48/91/73/529489173.db2.gz AKECTHWYULSKGX-VIFPVBQESA-N 0 1 338.751 2.559 20 5 EFBDMN CC[C@H](NCC(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181560515 529587849 /nfs/dbraw/zinc/58/78/49/529587849.db2.gz LXHVMYDGNRFVOL-SFHVURJKSA-N 0 1 341.411 2.994 20 5 EFBDMN CN(CC1(O)CCCCCC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186920922 529857288 /nfs/dbraw/zinc/85/72/88/529857288.db2.gz ODJDTBDZBKRTST-UHFFFAOYSA-N 0 1 346.387 2.628 20 5 EFBDMN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc([S@@](C)=O)cc1 ZINC000178410650 529926392 /nfs/dbraw/zinc/92/63/92/529926392.db2.gz LAEDZHVEYUROLA-XMMPIXPASA-N 0 1 348.424 2.843 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H](C3OCCO3)C2)ccc1Cl ZINC000178012777 232059127 /nfs/dbraw/zinc/05/91/27/232059127.db2.gz FIHWQALCJWSGRG-GFCCVEGCSA-N 0 1 326.780 2.833 20 5 EFBDMN O=[N+]([O-])c1cccc(CN(C[C@@H](O)COc2ccccc2)C2CC2)c1 ZINC000153316970 293370771 /nfs/dbraw/zinc/37/07/71/293370771.db2.gz YSTRSGCUTDZMKQ-GOSISDBHSA-N 0 1 342.395 2.999 20 5 EFBDMN C[C@H]1CCCC[C@@H]1N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129257661 223036940 /nfs/dbraw/zinc/03/69/40/223036940.db2.gz ZQTGPBWGHOGLPA-BBRMVZONSA-N 0 1 340.445 2.879 20 5 EFBDMN CCOC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000072976085 216333578 /nfs/dbraw/zinc/33/35/78/216333578.db2.gz HENYGPRYXGBPHI-UONOGXRCSA-N 0 1 335.404 2.670 20 5 EFBDMN COc1cccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1[N+](=O)[O-] ZINC000192659786 240056955 /nfs/dbraw/zinc/05/69/55/240056955.db2.gz BBSKEHYEMBIATN-UHFFFAOYSA-N 0 1 344.302 2.549 20 5 EFBDMN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCN(C)C1 ZINC000132615935 223347523 /nfs/dbraw/zinc/34/75/23/223347523.db2.gz BMZPPMVCHGFSBM-GFCCVEGCSA-N 0 1 345.321 2.780 20 5 EFBDMN CC(C)(C)c1ccc(C(=O)NC2(c3nnc[nH]3)CCC2)cc1[N+](=O)[O-] ZINC000194287290 240147966 /nfs/dbraw/zinc/14/79/66/240147966.db2.gz GNGBPLGHGBRDOF-UHFFFAOYSA-N 0 1 343.387 2.820 20 5 EFBDMN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194626896 240168403 /nfs/dbraw/zinc/16/84/03/240168403.db2.gz NEONFCNKZUOIBE-UHFFFAOYSA-N 0 1 349.368 2.662 20 5 EFBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(OCCF)c2)c1 ZINC000194646744 240168896 /nfs/dbraw/zinc/16/88/96/240168896.db2.gz GEOSVGNELIJVHH-UHFFFAOYSA-N 0 1 340.332 2.744 20 5 EFBDMN COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000194666730 240171002 /nfs/dbraw/zinc/17/10/02/240171002.db2.gz WYNXHWIYGWIDEC-UHFFFAOYSA-N 0 1 326.305 2.543 20 5 EFBDMN C[C@@](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)(C1CC1)C(F)(F)F ZINC000410528218 242601712 /nfs/dbraw/zinc/60/17/12/242601712.db2.gz VCWJLKPWXDDVAT-CYBMUJFWSA-N 0 1 342.277 2.932 20 5 EFBDMN C[C@H](CC(F)F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000412001883 243066631 /nfs/dbraw/zinc/06/66/31/243066631.db2.gz RIFZJJPHFJOWIQ-SSDOTTSWSA-N 0 1 325.275 2.610 20 5 EFBDMN CN(C)C(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000411945029 243035962 /nfs/dbraw/zinc/03/59/62/243035962.db2.gz KCIZQPVUHXAWEL-SNVBAGLBSA-N 0 1 345.321 2.524 20 5 EFBDMN CCN(Cc1occc1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412029635 243080447 /nfs/dbraw/zinc/08/04/47/243080447.db2.gz UYLRCKRGXYKCEC-CQSZACIVSA-N 0 1 334.372 2.758 20 5 EFBDMN COCC[C@H](C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000414209120 244048670 /nfs/dbraw/zinc/04/86/70/244048670.db2.gz SHYOJRBARZHQKQ-XJKSGUPXSA-N 0 1 332.404 2.680 20 5 EFBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccn1C ZINC000414379774 244120913 /nfs/dbraw/zinc/12/09/13/244120913.db2.gz DTIRNFBIDKMWJH-UHFFFAOYSA-N 0 1 338.389 2.554 20 5 EFBDMN Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1C[NH+](C)C ZINC000414467369 244180705 /nfs/dbraw/zinc/18/07/05/244180705.db2.gz YWMPITOCCQBJCB-UHFFFAOYSA-N 0 1 349.412 2.766 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419371748 245391064 /nfs/dbraw/zinc/39/10/64/245391064.db2.gz LHLPCZZHYYSQFE-LOWDOPEQSA-N 0 1 335.404 2.907 20 5 EFBDMN CCOc1ccc(NC(=O)CN2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419379037 245392965 /nfs/dbraw/zinc/39/29/65/245392965.db2.gz WCXDAJURLKVHDO-AVGNSLFASA-N 0 1 335.404 2.908 20 5 EFBDMN CCOc1ccc(NC(=O)CN2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419379038 245394197 /nfs/dbraw/zinc/39/41/97/245394197.db2.gz WCXDAJURLKVHDO-RWMBFGLXSA-N 0 1 335.404 2.908 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000111273934 220131825 /nfs/dbraw/zinc/13/18/25/220131825.db2.gz XUDBRRYIZXEWBM-JSGCOSHPSA-N 0 1 335.404 2.731 20 5 EFBDMN CN(C[C@H]1CCCN1C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000421707989 246072517 /nfs/dbraw/zinc/07/25/17/246072517.db2.gz YUNUBFHKCPLRIS-CYBMUJFWSA-N 0 1 333.413 2.976 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)c1[N+](=O)[O-] ZINC000264153071 246116959 /nfs/dbraw/zinc/11/69/59/246116959.db2.gz HBFSJMVVFPEEHX-ZDUSSCGKSA-N 0 1 344.371 2.619 20 5 EFBDMN NC(=O)c1ccc(CN2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000264206943 246184065 /nfs/dbraw/zinc/18/40/65/246184065.db2.gz RHAGKUWMUFUQAS-AWEZNQCLSA-N 0 1 343.358 2.822 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CC[C@H](c3nc[nH]n3)C2)cc1C(F)(F)F ZINC000425284157 247028795 /nfs/dbraw/zinc/02/87/95/247028795.db2.gz MVDCWSIMUHQLAW-QMMMGPOBSA-N 0 1 327.266 2.726 20 5 EFBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C2CCC2)CC1 ZINC000264959303 247086637 /nfs/dbraw/zinc/08/66/37/247086637.db2.gz NOCYNBAYASHOAO-UHFFFAOYSA-N 0 1 338.795 2.950 20 5 EFBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3scnc3C3CC3)CC2)n1 ZINC000425976642 247220397 /nfs/dbraw/zinc/22/03/97/247220397.db2.gz HIUYPLSWGPBAMW-UHFFFAOYSA-N 0 1 333.417 2.962 20 5 EFBDMN COc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000426805231 247300967 /nfs/dbraw/zinc/30/09/67/247300967.db2.gz ZNDAIWDIXNJQNZ-LBPRGKRZSA-N 0 1 334.328 2.810 20 5 EFBDMN CCc1nc(C)c(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000426327626 247263061 /nfs/dbraw/zinc/26/30/61/247263061.db2.gz VDDQLFYZTDTBEP-LLVKDONJSA-N 0 1 346.387 2.961 20 5 EFBDMN CCOc1ccc(F)c(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1F ZINC000427393313 247346150 /nfs/dbraw/zinc/34/61/50/247346150.db2.gz YLFCENUKONAELN-UHFFFAOYSA-N 0 1 340.286 2.740 20 5 EFBDMN CCN(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000427405631 247346753 /nfs/dbraw/zinc/34/67/53/247346753.db2.gz FZBARQDUPRDDCM-UHFFFAOYSA-N 0 1 347.337 2.528 20 5 EFBDMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000433088373 248014971 /nfs/dbraw/zinc/01/49/71/248014971.db2.gz LWWGIEIQLHBWFO-UHFFFAOYSA-N 0 1 349.310 2.509 20 5 EFBDMN CC[C@@H](O)[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266000065 248015549 /nfs/dbraw/zinc/01/55/49/248015549.db2.gz IXIUTUYNRVNCPC-HUUCEWRRSA-N 0 1 346.387 2.770 20 5 EFBDMN CCn1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1=O ZINC000433098919 248016140 /nfs/dbraw/zinc/01/61/40/248016140.db2.gz YOUWNVVTOALLKH-QGZVFWFLSA-N 0 1 327.384 2.944 20 5 EFBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCSC1 ZINC000433181718 248024697 /nfs/dbraw/zinc/02/46/97/248024697.db2.gz KMPDFECTCIGQIO-OAHLLOKOSA-N 0 1 340.445 2.947 20 5 EFBDMN CCCCOC1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000434248010 248135935 /nfs/dbraw/zinc/13/59/35/248135935.db2.gz ZJJKBYFANBWMDQ-UHFFFAOYSA-N 0 1 338.408 2.863 20 5 EFBDMN Cc1ccc(N2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000266169202 248146203 /nfs/dbraw/zinc/14/62/03/248146203.db2.gz YXXICXYEKXGHMZ-HNNXBMFYSA-N 0 1 341.415 2.967 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCCC(F)(F)F ZINC000266429621 248297024 /nfs/dbraw/zinc/29/70/24/248297024.db2.gz IDWKJFNUHQVWKD-UHFFFAOYSA-N 0 1 346.714 2.869 20 5 EFBDMN COc1ccc(NC(=O)CN2CC[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000443646334 250214430 /nfs/dbraw/zinc/21/44/30/250214430.db2.gz CHKFCCVYGLSEJB-STQMWFEESA-N 0 1 335.404 2.910 20 5 EFBDMN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000443939097 250238748 /nfs/dbraw/zinc/23/87/48/250238748.db2.gz XZEBZGROJHPOGD-LDYMZIIASA-N 0 1 340.323 2.850 20 5 EFBDMN CCOC(=O)CC(C)(C)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444655540 250323195 /nfs/dbraw/zinc/32/31/95/250323195.db2.gz WEOBMFOPFPGGPC-UHFFFAOYSA-N 0 1 334.376 2.635 20 5 EFBDMN Cc1ccc(F)c(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000444736994 250336765 /nfs/dbraw/zinc/33/67/65/250336765.db2.gz OFJCIUNIPSYSPT-HNNXBMFYSA-N 0 1 348.374 2.914 20 5 EFBDMN Cc1ccc(F)c(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000444742141 250339114 /nfs/dbraw/zinc/33/91/14/250339114.db2.gz WEAXSYFXZNNCPT-INIZCTEOSA-N 0 1 348.374 2.914 20 5 EFBDMN CC(C)[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000444750362 250339986 /nfs/dbraw/zinc/33/99/86/250339986.db2.gz BPJDCDCJXDMNRA-OAHLLOKOSA-N 0 1 331.416 2.852 20 5 EFBDMN CCn1ccnc1[C@H](C)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449560987 251065166 /nfs/dbraw/zinc/06/51/66/251065166.db2.gz AGIWKFHTOYPNGV-STQMWFEESA-N 0 1 345.403 2.879 20 5 EFBDMN CCn1ccnc1[C@@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449560984 251065349 /nfs/dbraw/zinc/06/53/49/251065349.db2.gz AGIWKFHTOYPNGV-CHWSQXEVSA-N 0 1 345.403 2.879 20 5 EFBDMN CCO[C@@H]1COC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449724967 251131650 /nfs/dbraw/zinc/13/16/50/251131650.db2.gz ZDOKKACOOXCFFU-NVXWUHKLSA-N 0 1 332.356 2.748 20 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/nfs/dbraw/zinc/13/73/05/285137305.db2.gz XNFDWLYCWNYCFI-GOSISDBHSA-N 0 1 326.352 2.932 20 5 EFBDMN COCCOC[C@@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000181513659 533116932 /nfs/dbraw/zinc/11/69/32/533116932.db2.gz HLSFOYLAIXUXPK-CQSZACIVSA-N 0 1 345.399 2.941 20 5 EFBDMN O=[N+]([O-])c1cnn(CCN2CCC(c3c(F)cccc3F)CC2)c1 ZINC000372365702 285189482 /nfs/dbraw/zinc/18/94/82/285189482.db2.gz JKUWXWUQYSNFKI-UHFFFAOYSA-N 0 1 336.342 2.949 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000154995452 533213020 /nfs/dbraw/zinc/21/30/20/533213020.db2.gz FHJNHANRILSIJC-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN CS[C@@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000117316746 221053007 /nfs/dbraw/zinc/05/30/07/221053007.db2.gz IJEQUXNISQZLIG-MWLCHTKSSA-N 0 1 334.401 2.875 20 5 EFBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000155378445 224408171 /nfs/dbraw/zinc/40/81/71/224408171.db2.gz RSSKVGPINUHNNF-GFCCVEGCSA-N 0 1 344.371 2.538 20 5 EFBDMN COc1ccc2oc([C@H](C)NC(=O)c3n[nH]cc3[N+](=O)[O-])c(C)c2c1 ZINC000153239524 533359176 /nfs/dbraw/zinc/35/91/76/533359176.db2.gz IARHSCGAEHYGIP-VIFPVBQESA-N 0 1 344.327 2.872 20 5 EFBDMN COc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000305203240 141462534 /nfs/dbraw/zinc/46/25/34/141462534.db2.gz YBKZJWXPCWBJGD-GOSISDBHSA-N 0 1 328.368 2.527 20 5 EFBDMN O=C(Nc1nc2c(s1)CSCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000341725870 141856675 /nfs/dbraw/zinc/85/66/75/141856675.db2.gz DHCMCNXHEZBFPH-UHFFFAOYSA-N 0 1 337.382 2.799 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344429224 142015260 /nfs/dbraw/zinc/01/52/60/142015260.db2.gz REUREEBKWHVYAZ-RYUDHWBXSA-N 0 1 337.445 2.871 20 5 EFBDMN CCNc1ccc(C(=O)N2[C@H](C)CN(CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000344462262 142021320 /nfs/dbraw/zinc/02/13/20/142021320.db2.gz QTGAWNVGEOZGAI-CHWSQXEVSA-N 0 1 334.420 2.581 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000344961815 142103654 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2.580 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000349954271 142382697 /nfs/dbraw/zinc/38/26/97/142382697.db2.gz JZELPSWHXSGGQQ-ZDUSSCGKSA-N 0 1 328.372 2.728 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CCO)c1ccccc1 ZINC000341185756 145008099 /nfs/dbraw/zinc/00/80/99/145008099.db2.gz BCTSWVSOTIPZKN-OAHLLOKOSA-N 0 1 343.383 2.555 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cccc2cc[nH]c21 ZINC000342166428 145074004 /nfs/dbraw/zinc/07/40/04/145074004.db2.gz YFEUNDIWTHGHTN-UHFFFAOYSA-N 0 1 349.343 2.694 20 5 EFBDMN CN1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000342401908 145117396 /nfs/dbraw/zinc/11/73/96/145117396.db2.gz ZRETUQPDGNMZDG-LJQANCHMSA-N 0 1 341.411 2.962 20 5 EFBDMN COc1ccc(NC(=O)CCN(C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000342636664 145163840 /nfs/dbraw/zinc/16/38/40/145163840.db2.gz ROFNUYVIEITBLU-UHFFFAOYSA-N 0 1 333.344 2.657 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H]1c1ccccc1 ZINC000343571730 145241299 /nfs/dbraw/zinc/24/12/99/145241299.db2.gz JMUHKGRZWMEOPC-HOTGVXAUSA-N 0 1 328.368 2.782 20 5 EFBDMN O=C1NC[C@@H]2[C@H]1CCCN2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000343627034 145255772 /nfs/dbraw/zinc/25/57/72/145255772.db2.gz UPOSQMQLCWJSHL-HZPDHXFCSA-N 0 1 341.367 2.565 20 5 EFBDMN CN1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H]1Cc1ccccc1 ZINC000343644304 145260469 /nfs/dbraw/zinc/26/04/69/145260469.db2.gz FFRSEZGTAZQMRK-AWEZNQCLSA-N 0 1 344.390 2.679 20 5 EFBDMN COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343954721 145332101 /nfs/dbraw/zinc/33/21/01/145332101.db2.gz MOGNSLYKKBOBSW-WCQYABFASA-N 0 1 333.388 2.662 20 5 EFBDMN C[C@H]1C[C@H](CO)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344129432 145375158 /nfs/dbraw/zinc/37/51/58/145375158.db2.gz MBKCNNPGIFTGCL-QWHCGFSZSA-N 0 1 331.372 2.843 20 5 EFBDMN C[C@@H]1C[C@@H](CO)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344129431 145375187 /nfs/dbraw/zinc/37/51/87/145375187.db2.gz MBKCNNPGIFTGCL-OLZOCXBDSA-N 0 1 331.372 2.843 20 5 EFBDMN C[C@@H]1C[C@H](CO)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344129429 145375324 /nfs/dbraw/zinc/37/53/24/145375324.db2.gz MBKCNNPGIFTGCL-CHWSQXEVSA-N 0 1 331.372 2.843 20 5 EFBDMN O=C(Nc1ccc2nc[nH]c2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000344129857 145375614 /nfs/dbraw/zinc/37/56/14/145375614.db2.gz QXJUKIMAXXEHIB-UHFFFAOYSA-N 0 1 348.322 2.909 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000344188236 145387546 /nfs/dbraw/zinc/38/75/46/145387546.db2.gz XSEGOPOHQRANKV-MRXNPFEDSA-N 0 1 349.337 2.906 20 5 EFBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000346894037 145744275 /nfs/dbraw/zinc/74/42/75/145744275.db2.gz ITTNOYZYDQDUOM-UHFFFAOYSA-N 0 1 349.310 2.509 20 5 EFBDMN Cc1c(NC(=O)CCN2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000351202686 146115281 /nfs/dbraw/zinc/11/52/81/146115281.db2.gz MUAJYTKSHQBAOA-INIZCTEOSA-N 0 1 335.404 2.589 20 5 EFBDMN COc1ccc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000351484020 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EFBDMN C[C@@H](NC(=O)N1CCN(C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000355423559 146953561 /nfs/dbraw/zinc/95/35/61/146953561.db2.gz RKERRPXXYSKADB-CYBMUJFWSA-N 0 1 332.404 2.536 20 5 EFBDMN O=C(N[C@H]1CCCOc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356502657 147261777 /nfs/dbraw/zinc/26/17/77/147261777.db2.gz DOGRHSSAVFTTPQ-HNNXBMFYSA-N 0 1 328.324 2.944 20 5 EFBDMN O=C(NCCc1cccc2cccnc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356542508 147271784 /nfs/dbraw/zinc/27/17/84/147271784.db2.gz AEXBBAFDZWKNIV-UHFFFAOYSA-N 0 1 337.335 2.821 20 5 EFBDMN Cc1ccc(C=Cc2n[nH]c(SCc3c([N+](=O)[O-])ncn3C)n2)o1 ZINC000356570615 147280470 /nfs/dbraw/zinc/28/04/70/147280470.db2.gz YYOJXBAPIMDSSQ-WAYWQWQTSA-N 0 1 346.372 2.811 20 5 EFBDMN O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356576494 147281109 /nfs/dbraw/zinc/28/11/09/147281109.db2.gz LPUONVDTPMFAPF-RISCZKNCSA-N 0 1 334.278 2.865 20 5 EFBDMN Cn1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc2cc(F)ccc21 ZINC000356614280 147290649 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C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360315962 148329595 /nfs/dbraw/zinc/32/95/95/148329595.db2.gz FOMPTVLLWGPBSB-GLEZIHRCSA-N 0 1 332.287 2.692 20 5 EFBDMN Cc1c(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)cccc1[N+](=O)[O-] ZINC000360528128 148384539 /nfs/dbraw/zinc/38/45/39/148384539.db2.gz KRUCSGAUPOMFLD-UHFFFAOYSA-N 0 1 337.339 2.618 20 5 EFBDMN COc1ccc(CN(C)[C@@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000361469154 148633970 /nfs/dbraw/zinc/63/39/70/148633970.db2.gz LLNVPLJDLFMVAT-HNNXBMFYSA-N 0 1 343.383 2.652 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000363881422 149026365 /nfs/dbraw/zinc/02/63/65/149026365.db2.gz JACMEOIQHIGIFX-INIZCTEOSA-N 0 1 339.355 2.601 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](n4cncn4)C3)o2)c1 ZINC000364513511 149172593 /nfs/dbraw/zinc/17/25/93/149172593.db2.gz UWILELFNLCAZMG-HNNXBMFYSA-N 0 1 339.355 2.893 20 5 EFBDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000368656981 150172540 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CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286671873 274247802 /nfs/dbraw/zinc/24/78/02/274247802.db2.gz KRNWKACZWYOZOU-INIZCTEOSA-N 0 1 348.447 2.653 20 5 EFBDMN O=C([C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1)N1CCCC1 ZINC000287177455 274361061 /nfs/dbraw/zinc/36/10/61/274361061.db2.gz CGYPYDAGANRTLE-GFCCVEGCSA-N 0 1 337.807 2.693 20 5 EFBDMN O=C([C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CCCC1 ZINC000287251335 274378102 /nfs/dbraw/zinc/37/81/02/274378102.db2.gz GWVBQISIGPAFOX-CYBMUJFWSA-N 0 1 337.807 2.693 20 5 EFBDMN CC[N@@H+](CC(=O)[O-])C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000263561789 276087840 /nfs/dbraw/zinc/08/78/40/276087840.db2.gz SCZQYRVTRRXODZ-UHFFFAOYSA-N 0 1 341.795 2.624 20 5 EFBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccco1)N1CCCC1 ZINC000195333943 276722422 /nfs/dbraw/zinc/72/24/22/276722422.db2.gz VVSKZKVRKJCYML-CYBMUJFWSA-N 0 1 333.392 2.962 20 5 EFBDMN CN(C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000183630184 276860358 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COCCOCCN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000290115218 294002937 /nfs/dbraw/zinc/00/29/37/294002937.db2.gz INZLBEYNDWKCQI-UHFFFAOYSA-N 0 1 334.372 2.950 20 5 EFBDMN CC(C)S(=O)(=O)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000290190437 294022340 /nfs/dbraw/zinc/02/23/40/294022340.db2.gz FYIVPYRDNNQRBN-HNNXBMFYSA-N 0 1 340.445 2.730 20 5 EFBDMN CC(C)S(=O)(=O)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000290190439 294022654 /nfs/dbraw/zinc/02/26/54/294022654.db2.gz FYIVPYRDNNQRBN-OAHLLOKOSA-N 0 1 340.445 2.730 20 5 EFBDMN O=C(NC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1)C(F)(F)F ZINC000290613486 294135860 /nfs/dbraw/zinc/13/58/60/294135860.db2.gz FUKCYKRAAXVCGX-SECBINFHSA-N 0 1 349.284 2.629 20 5 EFBDMN O=C(NC[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1)C(F)(F)F ZINC000290813718 294192227 /nfs/dbraw/zinc/19/22/27/294192227.db2.gz ZZWZBDUXPUBYKF-VIFPVBQESA-N 0 1 349.284 2.629 20 5 EFBDMN CC[C@@H](CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])OC ZINC000290844433 294201518 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CC(C)(CO)[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000293014182 294853584 /nfs/dbraw/zinc/85/35/84/294853584.db2.gz KBJNUYOKYGPRRF-OAHLLOKOSA-N 0 1 346.387 2.532 20 5 EFBDMN CCc1ccc([C@H]2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)cc1 ZINC000294377474 295156722 /nfs/dbraw/zinc/15/67/22/295156722.db2.gz CRVLOBLSJQUCNZ-AWEZNQCLSA-N 0 1 328.372 2.818 20 5 EFBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCS1 ZINC000294498327 295176239 /nfs/dbraw/zinc/17/62/39/295176239.db2.gz GWLVXFFZVFYUDJ-SNVBAGLBSA-N 0 1 332.385 2.562 20 5 EFBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)NC(=O)CO2 ZINC000294699611 295210607 /nfs/dbraw/zinc/21/06/07/295210607.db2.gz OASADPMXPSUPHD-UHFFFAOYSA-N 0 1 341.367 2.600 20 5 EFBDMN CC(C)N1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294708746 295212394 /nfs/dbraw/zinc/21/23/94/295212394.db2.gz VWDBATCYNXTKAY-UHFFFAOYSA-N 0 1 347.415 2.500 20 5 EFBDMN CC(C)c1nc(CNc2c(Br)cncc2[N+](=O)[O-])n[nH]1 ZINC000294900123 295243108 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ZINC000295484873 295328393 /nfs/dbraw/zinc/32/83/93/295328393.db2.gz ZLDKAIGERYPISP-NSHDSACASA-N 0 1 337.807 2.805 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295622322 295350668 /nfs/dbraw/zinc/35/06/68/295350668.db2.gz ONAMAASMAAINQS-CYBMUJFWSA-N 0 1 349.431 2.717 20 5 EFBDMN COC(C)(C)c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000295772196 295373973 /nfs/dbraw/zinc/37/39/73/295373973.db2.gz BTJFOVONIGIWNH-UHFFFAOYSA-N 0 1 329.316 2.916 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000295912706 295395879 /nfs/dbraw/zinc/39/58/79/295395879.db2.gz DVOFKJULHFFQNH-KBPBESRZSA-N 0 1 349.431 2.713 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc([C@@H]4CCCO4)no3)[nH]n2)cc1 ZINC000295931344 295398506 /nfs/dbraw/zinc/39/85/06/295398506.db2.gz NNGXEVXWWMPTOR-ZDUSSCGKSA-N 0 1 327.300 2.886 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000296054508 295418048 /nfs/dbraw/zinc/41/80/48/295418048.db2.gz BYGYXZBRPIFKFW-GFCCVEGCSA-N 0 1 336.392 2.551 20 5 EFBDMN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000134775181 310646355 /nfs/dbraw/zinc/64/63/55/310646355.db2.gz NERKZMYNIXQWFQ-UHFFFAOYSA-N 0 1 334.353 2.907 20 5 EFBDMN C[C@@H](NCC(=O)NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180401624 310799038 /nfs/dbraw/zinc/79/90/38/310799038.db2.gz SKBPEQYXEHCQRR-GFCCVEGCSA-N 0 1 331.347 2.701 20 5 EFBDMN CCO[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@H]1SC ZINC000298221394 310968961 /nfs/dbraw/zinc/96/89/61/310968961.db2.gz AKYYTSIHGBSBGK-NWANDNLSSA-N 0 1 326.418 2.602 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000298287969 310975203 /nfs/dbraw/zinc/97/52/03/310975203.db2.gz IEMVZZAXOWNJKE-NSHDSACASA-N 0 1 325.796 2.805 20 5 EFBDMN CSc1n[nH]c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000299539860 311094902 /nfs/dbraw/zinc/09/49/02/311094902.db2.gz OWZXYCPWSIXUQM-SSDOTTSWSA-N 0 1 339.402 2.554 20 5 EFBDMN Cc1[nH]nc(C(=O)N(CCc2ccccc2)CC(C)C)c1[N+](=O)[O-] ZINC000299544272 311095237 /nfs/dbraw/zinc/09/52/37/311095237.db2.gz PAIQYCKLAGWTJA-UHFFFAOYSA-N 0 1 330.388 2.967 20 5 EFBDMN COc1cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)ccc1[N+](=O)[O-] ZINC000299564409 311097321 /nfs/dbraw/zinc/09/73/21/311097321.db2.gz GRMOKLOMKSELRZ-AWEZNQCLSA-N 0 1 349.412 2.698 20 5 EFBDMN C[C@H](O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000301290926 311129418 /nfs/dbraw/zinc/12/94/18/311129418.db2.gz WRJSQLWOMRMVAH-MNOVXSKESA-N 0 1 347.337 2.505 20 5 EFBDMN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000301456160 311138351 /nfs/dbraw/zinc/13/83/51/311138351.db2.gz WVPNULUMXPRIBA-GHMZBOCLSA-N 0 1 347.337 2.505 20 5 EFBDMN Nc1nc(Nc2cnn(Cc3ccc(Cl)cc3)c2)ncc1[N+](=O)[O-] ZINC000301482770 311140059 /nfs/dbraw/zinc/14/00/59/311140059.db2.gz XJMZXGZEURQQDF-UHFFFAOYSA-N 0 1 345.750 2.609 20 5 EFBDMN CC(C)CN1CCO[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301548200 311143762 /nfs/dbraw/zinc/14/37/62/311143762.db2.gz UNBLWCUUIXZRQY-INIZCTEOSA-N 0 1 344.415 2.912 20 5 EFBDMN Cc1c(Nc2ncc([N+](=O)[O-])c(N)n2)cnn1-c1cc(C)ccc1C ZINC000301798078 311158878 /nfs/dbraw/zinc/15/88/78/311158878.db2.gz VBKLBFBDMBGBOG-UHFFFAOYSA-N 0 1 339.359 2.822 20 5 EFBDMN Cc1cc(NCc2ccc(C(N)=O)o2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302152431 311181086 /nfs/dbraw/zinc/18/10/86/311181086.db2.gz HYLIPOGXSUOAOJ-UHFFFAOYSA-N 0 1 326.312 2.755 20 5 EFBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1nnc[nH]1 ZINC000302151476 311181096 /nfs/dbraw/zinc/18/10/96/311181096.db2.gz BVPWWFVHMQDFOS-NSHDSACASA-N 0 1 340.343 2.860 20 5 EFBDMN O=[N+]([O-])c1ccccc1NCc1n[nH]c(COc2ccccc2)n1 ZINC000302231983 311186340 /nfs/dbraw/zinc/18/63/40/311186340.db2.gz CHVILLVJVQMJAV-UHFFFAOYSA-N 0 1 325.328 2.904 20 5 EFBDMN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C)C1 ZINC000302782087 311200712 /nfs/dbraw/zinc/20/07/12/311200712.db2.gz SFERYBUIEQOEMN-GHMZBOCLSA-N 0 1 347.337 2.505 20 5 EFBDMN C[C@H]1CN(CC(C)(C)O)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302783720 311200895 /nfs/dbraw/zinc/20/08/95/311200895.db2.gz UDWCQRXRQCYRFX-NSHDSACASA-N 0 1 327.812 2.530 20 5 EFBDMN Cc1cc(C(=O)N2CCNC[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000313337941 311231860 /nfs/dbraw/zinc/23/18/60/311231860.db2.gz CZGLGIQWRDDIKB-QGZVFWFLSA-N 0 1 325.368 2.690 20 5 EFBDMN Cc1c(C(=O)N2CCNC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000313393921 311232628 /nfs/dbraw/zinc/23/26/28/311232628.db2.gz WUDGYDHWAQXPRX-QGZVFWFLSA-N 0 1 325.368 2.690 20 5 EFBDMN CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319429711 311236859 /nfs/dbraw/zinc/23/68/59/311236859.db2.gz GRFIQYAHDQFAJL-CMPLNLGQSA-N 0 1 330.381 2.981 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](C1CC1)C1CCC1 ZINC000324952840 311242611 /nfs/dbraw/zinc/24/26/11/311242611.db2.gz FSLVGCLICNIBKU-CYBMUJFWSA-N 0 1 328.365 2.591 20 5 EFBDMN COc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000326751703 311244580 /nfs/dbraw/zinc/24/45/80/311244580.db2.gz GSGZNHAAFDUDQX-QGZVFWFLSA-N 0 1 342.351 2.787 20 5 EFBDMN COc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000326751697 311244624 /nfs/dbraw/zinc/24/46/24/311244624.db2.gz GSGZNHAAFDUDQX-KRWDZBQOSA-N 0 1 342.351 2.787 20 5 EFBDMN C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CN1C ZINC000330583439 311322732 /nfs/dbraw/zinc/32/27/32/311322732.db2.gz KHZMPXBRITZWFZ-STQMWFEESA-N 0 1 330.388 2.774 20 5 EFBDMN COc1c(C(=O)N2CCN(CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000331076763 311352824 /nfs/dbraw/zinc/35/28/24/311352824.db2.gz WNGWLOLVOIRLLB-UHFFFAOYSA-N 0 1 349.431 2.797 20 5 EFBDMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000331273004 311363974 /nfs/dbraw/zinc/36/39/74/311363974.db2.gz CQQKSIYSJRMCJB-JMSVASOKSA-N 0 1 346.387 2.626 20 5 EFBDMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000331273491 311364046 /nfs/dbraw/zinc/36/40/46/311364046.db2.gz CQQKSIYSJRMCJB-TYNCELHUSA-N 0 1 346.387 2.626 20 5 EFBDMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000331270451 311364150 /nfs/dbraw/zinc/36/41/50/311364150.db2.gz ANNZPXKRPXYMJC-TYNCELHUSA-N 0 1 346.387 2.626 20 5 EFBDMN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000334029737 311690494 /nfs/dbraw/zinc/69/04/94/311690494.db2.gz JBJPSNQNXPFEMW-NHYWBVRUSA-N 0 1 336.388 2.872 20 5 EFBDMN COc1cccc([C@@H]2C[C@H]2CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000412876864 312028630 /nfs/dbraw/zinc/02/86/30/312028630.db2.gz PGFYTEDHZHMRSJ-GUYCJALGSA-N 0 1 342.351 2.843 20 5 EFBDMN CN(c1ncccc1[N+](=O)[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000450951519 312782760 /nfs/dbraw/zinc/78/27/60/312782760.db2.gz QDJNVDQUUGNEBY-UHFFFAOYSA-N 0 1 332.326 2.843 20 5 EFBDMN CCc1ccc(C(=O)NCc2n[nH]c(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000458021697 313056378 /nfs/dbraw/zinc/05/63/78/313056378.db2.gz KUHFSEMHECCHSP-UHFFFAOYSA-N 0 1 331.376 2.503 20 5 EFBDMN CC(C)(C)c1nc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[nH]1 ZINC000458029401 313058197 /nfs/dbraw/zinc/05/81/97/313058197.db2.gz UXRNSVROSNGJSZ-UHFFFAOYSA-N 0 1 343.343 2.687 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)N2CCN(C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486472640 313337967 /nfs/dbraw/zinc/33/79/67/313337967.db2.gz UBMJJJWNKGVECX-YOEHRIQHSA-N 0 1 348.447 2.946 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)N2CCN(C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486472638 313338233 /nfs/dbraw/zinc/33/82/33/313338233.db2.gz UBMJJJWNKGVECX-RHSMWYFYSA-N 0 1 348.447 2.946 20 5 EFBDMN COc1c(F)cc(S(=O)(=O)Nc2cscc2C)cc1[N+](=O)[O-] ZINC000488275937 313472648 /nfs/dbraw/zinc/47/26/48/313472648.db2.gz CDZRRDMRZBPYQY-UHFFFAOYSA-N 0 1 346.361 2.913 20 5 EFBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000492520529 314022565 /nfs/dbraw/zinc/02/25/65/314022565.db2.gz NEOCQHRPGQFVLM-SDMNGIDPSA-N 0 1 349.350 2.632 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496440498 315067570 /nfs/dbraw/zinc/06/75/70/315067570.db2.gz SUTQICJPRWBXLS-RCBBPTIPSA-N 0 1 333.388 2.771 20 5 EFBDMN O=C([O-])c1ccnc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000521252495 316011113 /nfs/dbraw/zinc/01/11/13/316011113.db2.gz IRZXMLOMODOIGC-ZDUSSCGKSA-N 0 1 348.403 2.897 20 5 EFBDMN O=C([O-])c1ccnc(NC[C@H]2CCC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000521252494 316011436 /nfs/dbraw/zinc/01/14/36/316011436.db2.gz IRZXMLOMODOIGC-CYBMUJFWSA-N 0 1 348.403 2.897 20 5 EFBDMN CC(C)n1cc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000524280419 316151798 /nfs/dbraw/zinc/15/17/98/316151798.db2.gz FFGUAUGBLLKSFR-JTQLQIEISA-N 0 1 342.359 2.740 20 5 EFBDMN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000527213953 316349279 /nfs/dbraw/zinc/34/92/79/316349279.db2.gz UHRHPODAIGMZLY-JTQLQIEISA-N 0 1 347.352 2.776 20 5 EFBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000530528108 317142501 /nfs/dbraw/zinc/14/25/01/317142501.db2.gz YNTLQFRNUBTSFV-UHFFFAOYSA-N 0 1 345.338 2.656 20 5 EFBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000530528108 317142502 /nfs/dbraw/zinc/14/25/02/317142502.db2.gz YNTLQFRNUBTSFV-UHFFFAOYSA-N 0 1 345.338 2.656 20 5 EFBDMN COC(=O)CCC1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000530763062 317176198 /nfs/dbraw/zinc/17/61/98/317176198.db2.gz GPPJSMLPFJGVRK-UHFFFAOYSA-N 0 1 336.388 2.769 20 5 EFBDMN COCCOc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000531683125 317300869 /nfs/dbraw/zinc/30/08/69/317300869.db2.gz VFVXNZLITPHSSI-CYBMUJFWSA-N 0 1 331.372 2.866 20 5 EFBDMN Cc1nc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2n1C ZINC000533204623 317482283 /nfs/dbraw/zinc/48/22/83/317482283.db2.gz VJIIPXFUZDNYLS-UHFFFAOYSA-N 0 1 326.312 2.748 20 5 EFBDMN Cc1ccccc1[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000547799003 318043141 /nfs/dbraw/zinc/04/31/41/318043141.db2.gz JEOYSGYCEXUQRE-QGZVFWFLSA-N 0 1 342.351 2.823 20 5 EFBDMN O=C(Nc1cc2c(cc1Cl)OCO2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548135669 318077315 /nfs/dbraw/zinc/07/73/15/318077315.db2.gz GOJTTXHQVHUNQQ-UHFFFAOYSA-N 0 1 336.687 2.935 20 5 EFBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000552145818 318245318 /nfs/dbraw/zinc/24/53/18/318245318.db2.gz JEDCVZVCVWZDRD-VNHYZAJKSA-N 0 1 349.456 2.771 20 5 EFBDMN C[C@H](C(=O)N1CCN(C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562395138 318643157 /nfs/dbraw/zinc/64/31/57/318643157.db2.gz MZXWQRUINPCUFX-AWEZNQCLSA-N 0 1 331.416 2.785 20 5 EFBDMN CCc1noc(CC)c1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564850958 318900193 /nfs/dbraw/zinc/90/01/93/318900193.db2.gz ZPYICSJPMZDLFP-UHFFFAOYSA-N 0 1 346.387 2.826 20 5 EFBDMN CNc1ccc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc1[N+](=O)[O-] ZINC000565990066 319020441 /nfs/dbraw/zinc/02/04/41/319020441.db2.gz QFUZPEAGKGWRTI-UHFFFAOYSA-N 0 1 345.403 2.929 20 5 EFBDMN C[C@@H]1CCCC[N@H+]1CCCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000566295184 319059245 /nfs/dbraw/zinc/05/92/45/319059245.db2.gz PMPJFNHZDXXMAM-GFCCVEGCSA-N 0 1 336.392 2.755 20 5 EFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000566367352 319067996 /nfs/dbraw/zinc/06/79/96/319067996.db2.gz DMTVBNQTFGUHNJ-PXAZEXFGSA-N 0 1 336.388 2.925 20 5 EFBDMN CCOc1cc(C[N@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000566367120 319068007 /nfs/dbraw/zinc/06/80/07/319068007.db2.gz IZHXNOYWPNTWGZ-QGZVFWFLSA-N 0 1 336.388 2.926 20 5 EFBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCS(=O)(=O)c1ccccc1 ZINC000568533550 319294207 /nfs/dbraw/zinc/29/42/07/319294207.db2.gz SZDRHSADAPJILX-INIZCTEOSA-N 0 1 346.408 2.646 20 5 EFBDMN Cn1ccc2c1cccc2NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000572101251 319636859 /nfs/dbraw/zinc/63/68/59/319636859.db2.gz LETJAWRQWZELEO-UHFFFAOYSA-N 0 1 331.353 2.887 20 5 EFBDMN O=C([O-])c1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000574405610 319859724 /nfs/dbraw/zinc/85/97/24/319859724.db2.gz BEMBLUGOZJRSBV-UHFFFAOYSA-N 0 1 347.396 2.677 20 5 EFBDMN O=C([O-])c1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000576831031 320052994 /nfs/dbraw/zinc/05/29/94/320052994.db2.gz ZWWJWAFOMGFTNL-UHFFFAOYSA-N 0 1 347.396 2.677 20 5 EFBDMN CN(C(=O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC000577865702 320152854 /nfs/dbraw/zinc/15/28/54/320152854.db2.gz KMMCCJRFTUIEFR-MRXNPFEDSA-N 0 1 331.416 2.963 20 5 EFBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000578779288 320239216 /nfs/dbraw/zinc/23/92/16/320239216.db2.gz OJQIJCYIAHRKHD-SFHVURJKSA-N 0 1 326.352 2.823 20 5 EFBDMN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000182667237 323293883 /nfs/dbraw/zinc/29/38/83/323293883.db2.gz UKTVZFLINQCFFS-OAHLLOKOSA-N 0 1 340.383 2.749 20 5 EFBDMN CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184113069 323356169 /nfs/dbraw/zinc/35/61/69/323356169.db2.gz UISGQTQOFJJUAA-LRDDRELGSA-N 0 1 337.395 2.636 20 5 EFBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184113069 323356172 /nfs/dbraw/zinc/35/61/72/323356172.db2.gz UISGQTQOFJJUAA-LRDDRELGSA-N 0 1 337.395 2.636 20 5 EFBDMN C[C@H](CC(=O)[O-])[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 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2.667 20 5 EFBDMN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2ccccc2Cl)CC1 ZINC000592137649 478792933 /nfs/dbraw/zinc/79/29/33/478792933.db2.gz LOKMQYNIXWLCIJ-UHFFFAOYSA-N 0 1 333.775 2.689 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H](O)C(F)(F)F)o2)c1 ZINC000616487278 479923994 /nfs/dbraw/zinc/92/39/94/479923994.db2.gz NGZGWIUPHGAUDP-CYBMUJFWSA-N 0 1 330.262 2.868 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)C(F)(F)F)o2)cc1 ZINC000616487243 479924208 /nfs/dbraw/zinc/92/42/08/479924208.db2.gz FJRJKOMDURJQJN-CYBMUJFWSA-N 0 1 330.262 2.868 20 5 EFBDMN CCc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000005262276 471496124 /nfs/dbraw/zinc/49/61/24/471496124.db2.gz ITCQHEZOXOLMKD-UHFFFAOYSA-N 0 1 336.369 2.967 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000007385875 471610611 /nfs/dbraw/zinc/61/06/11/471610611.db2.gz KVCWCUXWNZVGKM-XQQFMLRXSA-N 0 1 335.404 2.908 20 5 EFBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000012083366 471763656 /nfs/dbraw/zinc/76/36/56/471763656.db2.gz IFUUADRMCCDDBI-UHFFFAOYSA-N 0 1 328.303 2.583 20 5 EFBDMN C[C@@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000014389459 471871002 /nfs/dbraw/zinc/87/10/02/471871002.db2.gz HSKPTAWRLXGTEN-MRVPVSSYSA-N 0 1 333.373 2.710 20 5 EFBDMN C[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000014389459 471871007 /nfs/dbraw/zinc/87/10/07/471871007.db2.gz HSKPTAWRLXGTEN-MRVPVSSYSA-N 0 1 333.373 2.710 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000016101133 471925211 /nfs/dbraw/zinc/92/52/11/471925211.db2.gz GASPEWBTUWMTQU-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000067547240 472048043 /nfs/dbraw/zinc/04/80/43/472048043.db2.gz IIDNTAVHNUEBTJ-HNNXBMFYSA-N 0 1 349.412 2.698 20 5 EFBDMN CN(CCc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000054174631 472065477 /nfs/dbraw/zinc/06/54/77/472065477.db2.gz MTWWQVCBBQURDK-UHFFFAOYSA-N 0 1 338.367 2.506 20 5 EFBDMN O=[N+]([O-])c1ccccc1NCCN1CCN(Cc2ccccc2)CC1 ZINC000025280602 472088083 /nfs/dbraw/zinc/08/80/83/472088083.db2.gz HPZPJALVRHAOOZ-UHFFFAOYSA-N 0 1 340.427 2.825 20 5 EFBDMN Cc1cccc(C(=O)NC[C@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000025328794 472090784 /nfs/dbraw/zinc/09/07/84/472090784.db2.gz BUWYKHFBYXIPQX-CQSZACIVSA-N 0 1 333.413 2.997 20 5 EFBDMN CN(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000025784437 472111460 /nfs/dbraw/zinc/11/14/60/472111460.db2.gz PUYRVTIJXVYJJN-AWEZNQCLSA-N 0 1 333.413 2.618 20 5 EFBDMN COc1cc(F)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000026546617 472142191 /nfs/dbraw/zinc/14/21/91/472142191.db2.gz LBYBQVWSNKWRDH-UHFFFAOYSA-N 0 1 340.332 2.852 20 5 EFBDMN CNc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000068414864 472185667 /nfs/dbraw/zinc/18/56/67/472185667.db2.gz DETRSYDMIPORBN-AWEZNQCLSA-N 0 1 348.428 2.731 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000043121951 472201667 /nfs/dbraw/zinc/20/16/67/472201667.db2.gz HIRQFMNTWYSLSM-UHFFFAOYSA-N 0 1 348.403 2.696 20 5 EFBDMN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000029177274 472257739 /nfs/dbraw/zinc/25/77/39/472257739.db2.gz ATVDIVYHKZLQMS-CQSZACIVSA-N 0 1 329.356 2.755 20 5 EFBDMN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000029177273 472258038 /nfs/dbraw/zinc/25/80/38/472258038.db2.gz ATVDIVYHKZLQMS-AWEZNQCLSA-N 0 1 329.356 2.755 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000044311491 472296961 /nfs/dbraw/zinc/29/69/61/472296961.db2.gz JOUFRPAIZDHVSJ-JTQLQIEISA-N 0 1 325.415 2.751 20 5 EFBDMN Cc1cc(C(=O)NCCN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000030363282 472329433 /nfs/dbraw/zinc/32/94/33/472329433.db2.gz IFQRHQCWPUULDA-UHFFFAOYSA-N 0 1 339.395 2.691 20 5 EFBDMN Cc1cc(F)ccc1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000087562407 472342323 /nfs/dbraw/zinc/34/23/23/472342323.db2.gz USODFJFPVROMDC-UHFFFAOYSA-N 0 1 342.330 2.891 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000076654226 472381710 /nfs/dbraw/zinc/38/17/10/472381710.db2.gz PQJMNYXOXSYDSQ-CABZTGNLSA-N 0 1 332.335 2.784 20 5 EFBDMN C[C@@H](c1ccccc1)[C@H](CO)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000613388725 479984423 /nfs/dbraw/zinc/98/44/23/479984423.db2.gz CUFRYTQCJZLMQH-LRDDRELGSA-N 0 1 341.367 2.990 20 5 EFBDMN Cc1cccc(C(=O)NC[C@@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000069688621 472397250 /nfs/dbraw/zinc/39/72/50/472397250.db2.gz YMWZADVXLJEYGI-ZDUSSCGKSA-N 0 1 333.413 2.997 20 5 EFBDMN C[C@@H](c1ccccc1)[C@@H](CO)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000613388715 479984943 /nfs/dbraw/zinc/98/49/43/479984943.db2.gz CUFRYTQCJZLMQH-BLLLJJGKSA-N 0 1 341.367 2.990 20 5 EFBDMN O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000097031823 472412718 /nfs/dbraw/zinc/41/27/18/472412718.db2.gz CPXDVRNFVLOQDY-WCBMZHEXSA-N 0 1 340.261 2.623 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2n[nH]cc2c1 ZINC000032591511 472445011 /nfs/dbraw/zinc/44/50/11/472445011.db2.gz GSNKERCZOOBPDY-UHFFFAOYSA-N 0 1 332.341 2.580 20 5 EFBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000077140399 472458338 /nfs/dbraw/zinc/45/83/38/472458338.db2.gz UCUXREDVWAYJNL-AWEZNQCLSA-N 0 1 342.399 2.660 20 5 EFBDMN Cc1c([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2=O)cccc1[N+](=O)[O-] ZINC000089618314 472470263 /nfs/dbraw/zinc/47/02/63/472470263.db2.gz QEFNQVHBVMPPDT-ZYHUDNBSSA-N 0 1 345.321 2.717 20 5 EFBDMN CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C)CC1 ZINC000045851946 472475352 /nfs/dbraw/zinc/47/53/52/472475352.db2.gz COMUORUHMLYIRY-INIZCTEOSA-N 0 1 340.855 2.932 20 5 EFBDMN CC(C)CN1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000070745813 472507611 /nfs/dbraw/zinc/50/76/11/472507611.db2.gz DXEFCOSPGZZCAP-UHFFFAOYSA-N 0 1 325.796 2.662 20 5 EFBDMN CC(C)CCSc1ccc(C(=O)NCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000070825042 472515296 /nfs/dbraw/zinc/51/52/96/472515296.db2.gz BRVIQINSHSFLNK-UHFFFAOYSA-N 0 1 349.416 2.781 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1cccnc1)C1CC1 ZINC000058225488 472522123 /nfs/dbraw/zinc/52/21/23/472522123.db2.gz SRNGKSNUYBQASI-UHFFFAOYSA-N 0 1 337.339 2.671 20 5 EFBDMN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000058379155 472559278 /nfs/dbraw/zinc/55/92/78/472559278.db2.gz LUMYFCMJOCWBCW-JGGQBBKZSA-N 0 1 345.399 2.613 20 5 EFBDMN O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])CN1 ZINC000119586799 472567585 /nfs/dbraw/zinc/56/75/85/472567585.db2.gz NYQTUWYEBSPGAY-RISCZKNCSA-N 0 1 337.807 2.739 20 5 EFBDMN O=C1C[C@@H]([C@@H]2CCCCN2Cc2c(Cl)cccc2[N+](=O)[O-])CN1 ZINC000119586799 472567595 /nfs/dbraw/zinc/56/75/95/472567595.db2.gz NYQTUWYEBSPGAY-RISCZKNCSA-N 0 1 337.807 2.739 20 5 EFBDMN Cc1noc(C)c1CN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000058440648 472570189 /nfs/dbraw/zinc/57/01/89/472570189.db2.gz XAXDAYBFGDYSGG-UHFFFAOYSA-N 0 1 346.387 2.969 20 5 EFBDMN C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000058516641 472579191 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CCc1nc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cs1 ZINC000111120178 473194200 /nfs/dbraw/zinc/19/42/00/473194200.db2.gz SOQDNVXSNJJMCV-QMMMGPOBSA-N 0 1 345.384 2.981 20 5 EFBDMN Cc1ccc(CNc2ccc(N3CCN(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000162890404 473393467 /nfs/dbraw/zinc/39/34/67/473393467.db2.gz LQHIHDSYRLUKQI-UHFFFAOYSA-N 0 1 341.415 2.662 20 5 EFBDMN Cn1cc(Cl)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000171484582 473399102 /nfs/dbraw/zinc/39/91/02/473399102.db2.gz WSAIMSVUQDIFIT-UHFFFAOYSA-N 0 1 346.734 2.624 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC[C@@H]1CC(C)C ZINC000113941902 473425769 /nfs/dbraw/zinc/42/57/69/473425769.db2.gz LMURQUNNALPWLI-INIZCTEOSA-N 0 1 349.431 2.979 20 5 EFBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000125736679 473451776 /nfs/dbraw/zinc/45/17/76/473451776.db2.gz XSFNGHOYBQMNLB-CYBMUJFWSA-N 0 1 325.368 2.835 20 5 EFBDMN CN(CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCSC1 ZINC000163539415 473453126 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C[C@H](N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000185897673 473542520 /nfs/dbraw/zinc/54/25/20/473542520.db2.gz UJRNBEBKCBEHSO-ZBEGNZNMSA-N 0 1 347.802 2.995 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2ccc3n[nH]cc3c2)ccc1[N+](=O)[O-] ZINC000172182430 473543908 /nfs/dbraw/zinc/54/39/08/473543908.db2.gz GOOQDHNKJMQIRX-UHFFFAOYSA-N 0 1 332.341 2.580 20 5 EFBDMN COc1cc(CNc2cnc3n[nH]c(C)c3c2)cc([N+](=O)[O-])c1O ZINC000185911334 473546075 /nfs/dbraw/zinc/54/60/75/473546075.db2.gz WHBUXSQRWOKBDE-UHFFFAOYSA-N 0 1 329.316 2.501 20 5 EFBDMN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000152390959 473557195 /nfs/dbraw/zinc/55/71/95/473557195.db2.gz ZWZVGKBQDGMRNC-LXZKKBNFSA-N 0 1 348.362 2.787 20 5 EFBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccco1)N1CCCC1 ZINC000152400219 473558545 /nfs/dbraw/zinc/55/85/45/473558545.db2.gz VKRDLHVNRYONBS-MRXNPFEDSA-N 0 1 343.383 2.684 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@]1(CO)CC(C)C ZINC000191660340 473564990 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EFBDMN COc1cc(CN2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1OC ZINC000271226817 474452061 /nfs/dbraw/zinc/45/20/61/474452061.db2.gz RPXPIUKQAMUBBG-UHFFFAOYSA-N 0 1 336.388 2.615 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2CC)n[nH]1 ZINC000289845210 474452782 /nfs/dbraw/zinc/45/27/82/474452782.db2.gz PYLCZUQSAUSTJX-SECBINFHSA-N 0 1 332.364 2.720 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCC(c3ncc[nH]3)CC2)c2c(c1)COCO2 ZINC000266753624 474470970 /nfs/dbraw/zinc/47/09/70/474470970.db2.gz OORHJQTZAFUZDM-UHFFFAOYSA-N 0 1 344.371 2.564 20 5 EFBDMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000248935095 474487805 /nfs/dbraw/zinc/48/78/05/474487805.db2.gz YGAITUBBCZZJFZ-GXTWGEPZSA-N 0 1 345.424 2.907 20 5 EFBDMN CCOc1cc(CN2CC[C@@H](n3cc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000289948232 474499250 /nfs/dbraw/zinc/49/92/50/474499250.db2.gz PZBKFENHPPAKNO-OAHLLOKOSA-N 0 1 330.388 2.945 20 5 EFBDMN Cc1nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)n[nH]1 ZINC000271343478 474500903 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CO[C@@H]1CN(Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H]1OC ZINC000276826368 474572715 /nfs/dbraw/zinc/57/27/15/474572715.db2.gz FXRFDYPGINDZSW-HDICACEKSA-N 0 1 339.391 2.792 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000284313554 474617174 /nfs/dbraw/zinc/61/71/74/474617174.db2.gz HLNKSJKOIPKKRC-SNVBAGLBSA-N 0 1 347.375 2.726 20 5 EFBDMN COc1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000272891278 474635050 /nfs/dbraw/zinc/63/50/50/474635050.db2.gz YORSXNQLPDENKY-NSHDSACASA-N 0 1 331.332 2.526 20 5 EFBDMN C[C@@H]1COc2ccccc2CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000272890420 474635063 /nfs/dbraw/zinc/63/50/63/474635063.db2.gz DUYAYDUKHZXSHF-CXAGYDPISA-N 0 1 328.368 2.911 20 5 EFBDMN CCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000272904437 474637773 /nfs/dbraw/zinc/63/77/73/474637773.db2.gz DTAGHSJSKQBFIA-UHFFFAOYSA-N 0 1 326.418 2.633 20 5 EFBDMN O=C(Nc1ccc(-c2nnc[nH]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000344338195 474661426 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MDGREYIHEJWLTF-CQSZACIVSA-N 0 1 343.358 2.822 20 5 EFBDMN CC[C@]1(C)COCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000340905542 474766560 /nfs/dbraw/zinc/76/65/60/474766560.db2.gz NXWHDKAZRZJCAR-QGZVFWFLSA-N 0 1 335.404 2.733 20 5 EFBDMN CC(C)OCCN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000254952781 474778393 /nfs/dbraw/zinc/77/83/93/474778393.db2.gz DNHRFFIRYPDNBV-ALCCZGGFSA-N 0 1 333.432 2.651 20 5 EFBDMN CCOc1cc(CN[C@@](C)(CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000617198778 480126689 /nfs/dbraw/zinc/12/66/89/480126689.db2.gz BQNIPPSFFPXFCT-SFHVURJKSA-N 0 1 330.384 2.991 20 5 EFBDMN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@@H]2OC(F)F)c2c(c1)COCO2 ZINC000337279005 474854083 /nfs/dbraw/zinc/85/40/83/474854083.db2.gz GJIPMMLVMRNHRV-STQMWFEESA-N 0 1 344.314 2.711 20 5 EFBDMN COC[C@H](c1ccc(Cl)cc1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000278823142 474854833 /nfs/dbraw/zinc/85/48/33/474854833.db2.gz CJRAZNQOTMTVRT-OAHLLOKOSA-N 0 1 338.795 2.764 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000339035487 474863133 /nfs/dbraw/zinc/86/31/33/474863133.db2.gz CWHPPLCDQMBTLM-UHFFFAOYSA-N 0 1 333.367 2.544 20 5 EFBDMN COC(=O)[C@H](c1ccccc1)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339037819 474865166 /nfs/dbraw/zinc/86/51/66/474865166.db2.gz SCSVOODXISNBIS-INIZCTEOSA-N 0 1 330.340 2.647 20 5 EFBDMN Cc1nc2sccn2c1CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339047729 474876776 /nfs/dbraw/zinc/87/67/76/474876776.db2.gz HUATWMNQJWHEEC-UHFFFAOYSA-N 0 1 332.385 2.950 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000339053506 474881667 /nfs/dbraw/zinc/88/16/67/474881667.db2.gz AVIRARHSEWOESA-OLZOCXBDSA-N 0 1 334.294 2.578 20 5 EFBDMN C[C@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000285087034 474886039 /nfs/dbraw/zinc/88/60/39/474886039.db2.gz LBXPCUUMCVSNFY-LBPRGKRZSA-N 0 1 326.418 2.603 20 5 EFBDMN C[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000285087028 474886179 /nfs/dbraw/zinc/88/61/79/474886179.db2.gz LBXPCUUMCVSNFY-GFCCVEGCSA-N 0 1 326.418 2.603 20 5 EFBDMN C[C@@H]1CC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000319050657 474897382 /nfs/dbraw/zinc/89/73/82/474897382.db2.gz DFOHBQBLPAGBAZ-VWYCJHECSA-N 0 1 330.381 2.837 20 5 EFBDMN C[C@@H]1CC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000319184487 474897531 /nfs/dbraw/zinc/89/75/31/474897531.db2.gz KHSRLQHGLGIGFX-FOGDFJRCSA-N 0 1 330.381 2.837 20 5 EFBDMN Cc1ccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(F)c1 ZINC000319492097 474900690 /nfs/dbraw/zinc/90/06/90/474900690.db2.gz VLVPXXDDLKJWEI-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN C[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000319519068 474901067 /nfs/dbraw/zinc/90/10/67/474901067.db2.gz ZOPXOEBGMGHOEK-JFGNBEQYSA-N 0 1 330.381 2.837 20 5 EFBDMN Cc1cc(C2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)[nH]n1 ZINC000273490133 474925066 /nfs/dbraw/zinc/92/50/66/474925066.db2.gz MPNYFPGBOLVUCQ-UHFFFAOYSA-N 0 1 332.389 2.720 20 5 EFBDMN Cc1ccc(-c2cc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])[nH]n2)o1 ZINC000278932780 474925315 /nfs/dbraw/zinc/92/53/15/474925315.db2.gz WOCPFTFNFGWSJH-UHFFFAOYSA-N 0 1 344.331 2.985 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000339131520 474960723 /nfs/dbraw/zinc/96/07/23/474960723.db2.gz JYIDGHYFGSAMFG-AWEZNQCLSA-N 0 1 347.346 2.878 20 5 EFBDMN C[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285327942 474974077 /nfs/dbraw/zinc/97/40/77/474974077.db2.gz UEAOVMBMQMVKGH-GFCCVEGCSA-N 0 1 334.420 2.619 20 5 EFBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339158795 474986035 /nfs/dbraw/zinc/98/60/35/474986035.db2.gz VBFDZDDBZYSAGL-VIFPVBQESA-N 0 1 343.305 2.580 20 5 EFBDMN NC1(c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)CCCC1 ZINC000261642620 475009093 /nfs/dbraw/zinc/00/90/93/475009093.db2.gz DKBJAEGKFSILQG-UHFFFAOYSA-N 0 1 341.327 2.627 20 5 EFBDMN NC1(c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)CCCC1 ZINC000261652879 475011011 /nfs/dbraw/zinc/01/10/11/475011011.db2.gz FAZBHEWUJCGHCT-UHFFFAOYSA-N 0 1 340.343 2.559 20 5 EFBDMN Cc1cc(C2CCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000273682664 475011022 /nfs/dbraw/zinc/01/10/22/475011022.db2.gz ZKJIUVIOFQDPRN-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN Cc1ccc([C@@H](C)N[C@@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000326940614 475015042 /nfs/dbraw/zinc/01/50/42/475015042.db2.gz XQANVLUEHYEJMN-CZUORRHYSA-N 0 1 344.415 2.820 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000261700023 475031365 /nfs/dbraw/zinc/03/13/65/475031365.db2.gz ORKWVVMHSSFYOT-UGFHNGPFSA-N 0 1 334.372 2.821 20 5 EFBDMN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339209297 475043316 /nfs/dbraw/zinc/04/33/16/475043316.db2.gz MDHRUYFOXLGNFB-CHWSQXEVSA-N 0 1 349.431 2.768 20 5 EFBDMN CS[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000345277549 475053048 /nfs/dbraw/zinc/05/30/48/475053048.db2.gz MCCANYHBCPJFJX-GFCCVEGCSA-N 0 1 336.417 2.979 20 5 EFBDMN CSC[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000292535672 475075773 /nfs/dbraw/zinc/07/57/73/475075773.db2.gz XHHSMZMULXLZAE-CYBMUJFWSA-N 0 1 337.445 2.633 20 5 EFBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000281156149 475093368 /nfs/dbraw/zinc/09/33/68/475093368.db2.gz BCLDKGSXHXWSKT-OLZOCXBDSA-N 0 1 335.404 2.655 20 5 EFBDMN COc1ccc(CN(CCCO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000268962595 475096761 /nfs/dbraw/zinc/09/67/61/475096761.db2.gz IYQOUERKFYMXDI-UHFFFAOYSA-N 0 1 330.384 2.988 20 5 EFBDMN CSc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000269010609 475125903 /nfs/dbraw/zinc/12/59/03/475125903.db2.gz SIWJKCMOHKMIFM-NSHDSACASA-N 0 1 332.385 2.847 20 5 EFBDMN O=C(CCN1C[C@@]2(CCCO2)[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000295962370 475146794 /nfs/dbraw/zinc/14/67/94/475146794.db2.gz JFXUKZRTGMUIKH-ROUUACIJSA-N 0 1 345.399 2.567 20 5 EFBDMN COc1cc(OCc2nc([C@@H](N)CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000339367805 475164487 /nfs/dbraw/zinc/16/44/87/475164487.db2.gz TZIWIQAXOKXFDD-NSHDSACASA-N 0 1 336.348 2.611 20 5 EFBDMN O=C(N[C@H]1CCCC[C@@H]1OC(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000337595694 475165977 /nfs/dbraw/zinc/16/59/77/475165977.db2.gz FRQQHMGDKLKXAY-RYUDHWBXSA-N 0 1 330.287 2.581 20 5 EFBDMN COc1c(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cccc1[N+](=O)[O-] ZINC000337646979 475209130 /nfs/dbraw/zinc/20/91/30/475209130.db2.gz IJPRJFRMSSGDJP-UHFFFAOYSA-N 0 1 330.222 2.598 20 5 EFBDMN CCc1nc(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC000296174183 475215087 /nfs/dbraw/zinc/21/50/87/475215087.db2.gz XJRIJVJZDHLPSU-UHFFFAOYSA-N 0 1 330.175 2.872 20 5 EFBDMN COc1ccc(C[C@H](C)CN(C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341673250 475216656 /nfs/dbraw/zinc/21/66/56/475216656.db2.gz DYSWEKMZFZHCGP-ZDUSSCGKSA-N 0 1 332.404 2.648 20 5 EFBDMN CC1(C)[C@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]2CCO[C@H]21 ZINC000296187920 475218776 /nfs/dbraw/zinc/21/87/76/475218776.db2.gz LOPSEVAFXCEBCT-BPLDGKMQSA-N 0 1 344.371 2.548 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1 ZINC000337663472 475220262 /nfs/dbraw/zinc/22/02/62/475220262.db2.gz UORLSJLDOWXQIG-UHFFFAOYSA-N 0 1 330.222 2.598 20 5 EFBDMN CC(=O)N[C@@H](C)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000361156511 475228687 /nfs/dbraw/zinc/22/86/87/475228687.db2.gz SHIZSGSFDZUCFD-DYLGSBMWSA-N 0 1 331.416 2.845 20 5 EFBDMN Cc1c(-c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)cccc1[N+](=O)[O-] ZINC000347332733 475239166 /nfs/dbraw/zinc/23/91/66/475239166.db2.gz HVPXGXGVTMAXQD-YOEHRIQHSA-N 0 1 344.371 2.879 20 5 EFBDMN Cc1c(-c2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)cccc1[N+](=O)[O-] ZINC000347332725 475240352 /nfs/dbraw/zinc/24/03/52/475240352.db2.gz HVPXGXGVTMAXQD-WMLDXEAASA-N 0 1 344.371 2.879 20 5 EFBDMN CCC1(C)CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000337689210 475241846 /nfs/dbraw/zinc/24/18/46/475241846.db2.gz MWBXSFHYMCDQNF-UHFFFAOYSA-N 0 1 331.416 2.996 20 5 EFBDMN CCOC(=O)c1cc(CNCc2ccc(OC)c([N+](=O)[O-])c2)[nH]c1C ZINC000296338326 475274368 /nfs/dbraw/zinc/27/43/68/475274368.db2.gz IDXWNWGPUTVJRZ-UHFFFAOYSA-N 0 1 347.371 2.706 20 5 EFBDMN CN(C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccsc1 ZINC000347401244 475297305 /nfs/dbraw/zinc/29/73/05/475297305.db2.gz CAFZHTBXZHIAMM-CQSZACIVSA-N 0 1 343.412 2.736 20 5 EFBDMN Cc1cnc(N2CCN(CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000361258808 475308806 /nfs/dbraw/zinc/30/88/06/475308806.db2.gz ARVPLRIDPSDEKZ-UHFFFAOYSA-N 0 1 326.400 2.663 20 5 EFBDMN CC[C@@H](N[C@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352496579 475350573 /nfs/dbraw/zinc/35/05/73/475350573.db2.gz XFIPVQHKVVVAHY-ZIAGYGMSSA-N 0 1 325.434 2.503 20 5 EFBDMN COC[C@@]1(C)CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296563589 475372449 /nfs/dbraw/zinc/37/24/49/475372449.db2.gz CPDVHMKLYNEZOF-GUYCJALGSA-N 0 1 335.404 2.589 20 5 EFBDMN C[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000358088708 475390573 /nfs/dbraw/zinc/39/05/73/475390573.db2.gz QIDIESDMHGIOMC-LBPRGKRZSA-N 0 1 349.412 2.817 20 5 EFBDMN O=C1[C@H](N2CC[C@H](CC3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339675331 475399742 /nfs/dbraw/zinc/39/97/42/475399742.db2.gz QUTFKNQWJVLWRA-RHSMWYFYSA-N 0 1 329.400 2.822 20 5 EFBDMN CCn1cc(S(=O)(=O)Nc2cc(C)ccc2Cl)c([N+](=O)[O-])n1 ZINC000339689517 475414114 /nfs/dbraw/zinc/41/41/14/475414114.db2.gz WTPDMIGCTRHDHB-UHFFFAOYSA-N 0 1 344.780 2.574 20 5 EFBDMN C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCOC1 ZINC000348135907 475418377 /nfs/dbraw/zinc/41/83/77/475418377.db2.gz LWIPDZCOWMZJHK-AAEUAGOBSA-N 0 1 332.360 2.550 20 5 EFBDMN Cc1ccc(C=Cc2n[nH]c(SCCn3cc([N+](=O)[O-])cn3)n2)o1 ZINC000348156978 475433801 /nfs/dbraw/zinc/43/38/01/475433801.db2.gz GRUBJGVQQDAQKJ-SNAWJCMRSA-N 0 1 346.372 2.774 20 5 EFBDMN Cc1cc(F)c(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000296698816 475436458 /nfs/dbraw/zinc/43/64/58/475436458.db2.gz KIHMNSOBZWDGAT-LBPRGKRZSA-N 0 1 348.338 2.920 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000296752077 475461405 /nfs/dbraw/zinc/46/14/05/475461405.db2.gz NYGAXUGWWQBITE-LBPRGKRZSA-N 0 1 338.383 2.990 20 5 EFBDMN Cc1nc2ccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC000361472689 475476978 /nfs/dbraw/zinc/47/69/78/475476978.db2.gz DQQMRWMARLAPSM-UHFFFAOYSA-N 0 1 339.355 2.854 20 5 EFBDMN COc1cc(CN(CC2CCC2)[C@H](C)CO)c([N+](=O)[O-])cc1F ZINC000361501605 475501060 /nfs/dbraw/zinc/50/10/60/475501060.db2.gz RSVSVVSALMWLOX-LLVKDONJSA-N 0 1 326.368 2.725 20 5 EFBDMN COc1ccccc1CNC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296850994 475505781 /nfs/dbraw/zinc/50/57/81/475505781.db2.gz YBZAAXQXXWCXSS-ZDUSSCGKSA-N 0 1 343.383 2.570 20 5 EFBDMN O=[N+]([O-])c1cnn(CCNCc2ccc(Sc3ccccn3)o2)c1 ZINC000352670214 475514666 /nfs/dbraw/zinc/51/46/66/475514666.db2.gz FAHAVGNHOZPKBJ-UHFFFAOYSA-N 0 1 345.384 2.720 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2ccnn2C)C1 ZINC000338030165 475523355 /nfs/dbraw/zinc/52/33/55/475523355.db2.gz UMDVTAIFPFNEEV-ZDUSSCGKSA-N 0 1 330.388 2.717 20 5 EFBDMN CS[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000296895671 475526123 /nfs/dbraw/zinc/52/61/23/475526123.db2.gz LEGFJYNDAILCBL-GFCCVEGCSA-N 0 1 332.385 2.562 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000296915514 475532778 /nfs/dbraw/zinc/53/27/78/475532778.db2.gz LJVSQAZAULZJSL-LBPRGKRZSA-N 0 1 330.388 2.632 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H](C)CC)CC2)c1 ZINC000296967699 475557191 /nfs/dbraw/zinc/55/71/91/475557191.db2.gz OLLGPSYXLZRMLM-ZDUSSCGKSA-N 0 1 335.404 2.550 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000296978279 475561052 /nfs/dbraw/zinc/56/10/52/475561052.db2.gz PBTHAIWAOLCASN-LBPRGKRZSA-N 0 1 337.445 2.873 20 5 EFBDMN CC(C)N(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000332231797 475567613 /nfs/dbraw/zinc/56/76/13/475567613.db2.gz DUXMERSQPSVBDH-UHFFFAOYSA-N 0 1 332.360 2.501 20 5 EFBDMN COc1c(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000332241882 475572002 /nfs/dbraw/zinc/57/20/02/475572002.db2.gz AOYLREKQFROQDA-LBPRGKRZSA-N 0 1 344.371 2.655 20 5 EFBDMN CC(C)c1ccc(CNC(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000358305980 475576978 /nfs/dbraw/zinc/57/69/78/475576978.db2.gz YHYPIYUAQJVMBL-UHFFFAOYSA-N 0 1 328.434 2.631 20 5 EFBDMN C[C@H](NC(=O)N1C[C@@H]2CCCCN2C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000332436328 475637358 /nfs/dbraw/zinc/63/73/58/475637358.db2.gz GVZNNYGFXJNPLU-KEYYUXOJSA-N 0 1 346.431 2.924 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000332443319 475639561 /nfs/dbraw/zinc/63/95/61/475639561.db2.gz IVUFEMIZUGMGSG-UHFFFAOYSA-N 0 1 331.416 2.912 20 5 EFBDMN CC(C)n1nc2c(c1NC(=O)c1cc(O)cc([N+](=O)[O-])c1)CCC2 ZINC000358396862 475646781 /nfs/dbraw/zinc/64/67/81/475646781.db2.gz VDSIZFWEEOZTDM-UHFFFAOYSA-N 0 1 330.344 2.819 20 5 EFBDMN C[C@H](NC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000332522390 475658150 /nfs/dbraw/zinc/65/81/50/475658150.db2.gz ZSWTUPUGADYXRC-ZQIUZPCESA-N 0 1 346.431 2.924 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000342995667 475683239 /nfs/dbraw/zinc/68/32/39/475683239.db2.gz CURVXBKRUSSNEB-UWVGGRQHSA-N 0 1 349.416 2.633 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n[nH]1 ZINC000343004670 475691209 /nfs/dbraw/zinc/69/12/09/475691209.db2.gz WWLCOZWBWLYRIP-SECBINFHSA-N 0 1 342.359 2.809 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n[nH]1 ZINC000343004671 475692312 /nfs/dbraw/zinc/69/23/12/475692312.db2.gz WWLCOZWBWLYRIP-VIFPVBQESA-N 0 1 342.359 2.809 20 5 EFBDMN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355214144 475749790 /nfs/dbraw/zinc/74/97/90/475749790.db2.gz GSUYYHUQLMWLTN-UHFFFAOYSA-N 0 1 345.311 2.520 20 5 EFBDMN C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000297509779 475788907 /nfs/dbraw/zinc/78/89/07/475788907.db2.gz YVVWUDBEASEGBF-RDTXWAMCSA-N 0 1 346.431 2.783 20 5 EFBDMN C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000297509773 475789262 /nfs/dbraw/zinc/78/92/62/475789262.db2.gz YVVWUDBEASEGBF-KBXCAEBGSA-N 0 1 346.431 2.783 20 5 EFBDMN O=C(NCCc1cccc(Cl)c1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000343127419 475791436 /nfs/dbraw/zinc/79/14/36/475791436.db2.gz GSVXDUCFPAURAW-UHFFFAOYSA-N 0 1 329.143 2.597 20 5 EFBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338327466 475791846 /nfs/dbraw/zinc/79/18/46/475791846.db2.gz WQASWOVRSRVGMN-TZMCWYRMSA-N 0 1 345.403 2.984 20 5 EFBDMN CC(C)c1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000297592097 475820909 /nfs/dbraw/zinc/82/09/09/475820909.db2.gz YMURHYFCSBWIMQ-UHFFFAOYSA-N 0 1 338.755 2.811 20 5 EFBDMN COc1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000340173591 475823820 /nfs/dbraw/zinc/82/38/20/475823820.db2.gz SIVOQTFWTHIPPM-AWEZNQCLSA-N 0 1 328.372 2.685 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000338361915 475826080 /nfs/dbraw/zinc/82/60/80/475826080.db2.gz SBTXYKSANLSJGT-GOSISDBHSA-N 0 1 339.395 2.875 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C ZINC000346768211 475840825 /nfs/dbraw/zinc/84/08/25/475840825.db2.gz JQEJWGAHICUBLG-OLZOCXBDSA-N 0 1 342.399 2.698 20 5 EFBDMN CCNc1ccc(C(=O)N2C[C@H](C)N(CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000346769708 475842396 /nfs/dbraw/zinc/84/23/96/475842396.db2.gz KXJAJOJNGKROJG-QWHCGFSZSA-N 0 1 334.420 2.581 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000297658275 475846169 /nfs/dbraw/zinc/84/61/69/475846169.db2.gz DRZFPFANLDZYNI-UHFFFAOYSA-N 0 1 332.364 2.775 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297701210 475860011 /nfs/dbraw/zinc/86/00/11/475860011.db2.gz RFKIJGISWWKMIH-KBPBESRZSA-N 0 1 334.420 2.782 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN1CC=C(C)CC1 ZINC000355354502 475860235 /nfs/dbraw/zinc/86/02/35/475860235.db2.gz LEFZIRDYSPXCLD-UHFFFAOYSA-N 0 1 331.416 2.902 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CCCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340211449 475861359 /nfs/dbraw/zinc/86/13/59/475861359.db2.gz XFHZZVLPUAKYDM-UONOGXRCSA-N 0 1 348.321 2.751 20 5 EFBDMN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000338409780 475877683 /nfs/dbraw/zinc/87/76/83/475877683.db2.gz MMHLLRQEBQAALT-INIZCTEOSA-N 0 1 344.367 2.745 20 5 EFBDMN CCc1cnccc1[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000358726980 475886479 /nfs/dbraw/zinc/88/64/79/475886479.db2.gz ZVYGYMYVRXRWQN-JTQLQIEISA-N 0 1 339.355 2.920 20 5 EFBDMN CSc1n[nH]c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000340264685 475899479 /nfs/dbraw/zinc/89/94/79/475899479.db2.gz NRHOFAAQBMAINR-UHFFFAOYSA-N 0 1 335.370 2.902 20 5 EFBDMN COCC1(C)CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358745462 475901087 /nfs/dbraw/zinc/90/10/87/475901087.db2.gz OTPULZDWFORWEO-CYBMUJFWSA-N 0 1 335.404 2.670 20 5 EFBDMN CCO[C@H]1COCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000362021179 475941551 /nfs/dbraw/zinc/94/15/51/475941551.db2.gz YSWTYDQGGGLQCN-RDJZCZTQSA-N 0 1 338.404 2.666 20 5 EFBDMN O=C(NCc1nc2cc(Cl)ccc2s1)c1n[nH]cc1[N+](=O)[O-] ZINC000343324775 475950918 /nfs/dbraw/zinc/95/09/18/475950918.db2.gz QXGRTKYQOBAIQT-UHFFFAOYSA-N 0 1 337.748 2.511 20 5 EFBDMN Cc1nc2cccc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c2[nH]1 ZINC000338506127 475963674 /nfs/dbraw/zinc/96/36/74/475963674.db2.gz TVDBNCINWHRXDA-UHFFFAOYSA-N 0 1 339.355 2.621 20 5 EFBDMN C[C@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000362095382 475996535 /nfs/dbraw/zinc/99/65/35/475996535.db2.gz IKVYEEFZDYKVPG-ZCFIWIBFSA-N 0 1 346.714 2.867 20 5 EFBDMN CC1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000358885941 476011863 /nfs/dbraw/zinc/01/18/63/476011863.db2.gz XIUKKDQNQBPEGD-UHFFFAOYSA-N 0 1 339.200 2.980 20 5 EFBDMN COc1ccncc1CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340402123 476012400 /nfs/dbraw/zinc/01/24/00/476012400.db2.gz CSHYARRIDZIYSX-LBPRGKRZSA-N 0 1 344.371 2.505 20 5 EFBDMN COc1ccc(CNC(=O)c2cccc3nc(C)[nH]c32)cc1[N+](=O)[O-] ZINC000338578507 476024506 /nfs/dbraw/zinc/02/45/06/476024506.db2.gz BGGHKYDWDRKHOQ-UHFFFAOYSA-N 0 1 340.339 2.718 20 5 EFBDMN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000343400982 476028137 /nfs/dbraw/zinc/02/81/37/476028137.db2.gz LCWNVRNQJFVGIE-GJZGRUSLSA-N 0 1 334.351 2.570 20 5 EFBDMN COCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[C@@H](C)C1 ZINC000362144969 476029829 /nfs/dbraw/zinc/02/98/29/476029829.db2.gz SOBATISMAQHKMS-HIFRSBDPSA-N 0 1 349.431 2.979 20 5 EFBDMN COCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[C@H](C)C1 ZINC000362144968 476029852 /nfs/dbraw/zinc/02/98/52/476029852.db2.gz SOBATISMAQHKMS-DZGCQCFKSA-N 0 1 349.431 2.979 20 5 EFBDMN C[C@@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCN1C ZINC000343472923 476075088 /nfs/dbraw/zinc/07/50/88/476075088.db2.gz WGUCYPSGHXHJFX-BXKDBHETSA-N 0 1 345.321 2.826 20 5 EFBDMN CO[C@@H]1CCC[C@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353635485 476142642 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Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCCO)CC(C)(C)C ZINC000303974596 476254242 /nfs/dbraw/zinc/25/42/42/476254242.db2.gz AWUKUYUUVKGYOZ-UHFFFAOYSA-N 0 1 337.420 2.572 20 5 EFBDMN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000362487384 476278382 /nfs/dbraw/zinc/27/83/82/476278382.db2.gz UOORWGDMCXHYTQ-CQSZACIVSA-N 0 1 342.399 2.660 20 5 EFBDMN CC(C)C[C@@H]1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000362552627 476306170 /nfs/dbraw/zinc/30/61/70/476306170.db2.gz USCVYCDPMLSSAC-BBRMVZONSA-N 0 1 345.399 2.595 20 5 EFBDMN CC[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000360638479 476326049 /nfs/dbraw/zinc/32/60/49/476326049.db2.gz ZYFXWUMVKHDDQA-ZCFIWIBFSA-N 0 1 327.189 2.978 20 5 EFBDMN CCN(Cc1ccncc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000353960992 476337646 /nfs/dbraw/zinc/33/76/46/476337646.db2.gz RLBKRITWALAEPC-UHFFFAOYSA-N 0 1 325.328 2.528 20 5 EFBDMN O=[N+]([O-])c1cc(CNc2ncnc3[nH]cnc32)cc(C(F)(F)F)c1 ZINC000362669164 476346466 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ZINC000590774978 478331637 /nfs/dbraw/zinc/33/16/37/478331637.db2.gz AQGBLUWIICFQKB-WBVHZDCISA-N 0 1 331.416 2.785 20 5 EFBDMN C[C@H](Cc1cnc[nH]1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594333795 478333644 /nfs/dbraw/zinc/33/36/44/478333644.db2.gz UDUSELLJMOGCFS-GFCCVEGCSA-N 0 1 328.372 2.688 20 5 EFBDMN Cc1nc(NS(=O)(=O)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000538713755 478379211 /nfs/dbraw/zinc/37/92/11/478379211.db2.gz ONCHCGMXKBPUER-UHFFFAOYSA-N 0 1 343.311 2.518 20 5 EFBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc4c(n3)CCC4)CC2)n1 ZINC000570537712 478383908 /nfs/dbraw/zinc/38/39/08/478383908.db2.gz LKEQLPMPXJHLEK-UHFFFAOYSA-N 0 1 327.388 2.512 20 5 EFBDMN COc1cccc2c1CN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C2 ZINC000600514099 478397789 /nfs/dbraw/zinc/39/77/89/478397789.db2.gz GGKNMYFSUWWXTD-UHFFFAOYSA-N 0 1 330.344 2.606 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594511778 478419173 /nfs/dbraw/zinc/41/91/73/478419173.db2.gz OTHNSWQZPPGALF-FZMZJTMJSA-N 0 1 331.376 2.724 20 5 EFBDMN CC[C@H]1CN(C)CCCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597603272 478427371 /nfs/dbraw/zinc/42/73/71/478427371.db2.gz AZOQEHORLNWYNO-HNNXBMFYSA-N 0 1 347.415 2.500 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000597604058 478429189 /nfs/dbraw/zinc/42/91/89/478429189.db2.gz JFYBDFANUSZAHU-ZACQAIPSSA-N 0 1 348.399 2.846 20 5 EFBDMN CC(C)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)[O-] ZINC000570730226 478431902 /nfs/dbraw/zinc/43/19/02/478431902.db2.gz RWOMGHRMSFEMIP-UHFFFAOYSA-N 0 1 333.344 2.587 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000591062110 478446414 /nfs/dbraw/zinc/44/64/14/478446414.db2.gz VZORGTSFCXCIJY-CYBMUJFWSA-N 0 1 333.388 2.664 20 5 EFBDMN O=[N+]([O-])c1cccc2c(NCc3n[nH]c([C@H]4CCCO4)n3)ccnc21 ZINC000594589399 478450264 /nfs/dbraw/zinc/45/02/64/478450264.db2.gz IYNBUBLIHXBJQE-CYBMUJFWSA-N 0 1 340.343 2.725 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000600674459 478464239 /nfs/dbraw/zinc/46/42/39/478464239.db2.gz KYLNUVVUGWFPIG-XHSDSOJGSA-N 0 1 334.372 2.549 20 5 EFBDMN C[C@@H](C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1)C(=O)[O-] ZINC000582009051 478490313 /nfs/dbraw/zinc/49/03/13/478490313.db2.gz OTTQPHCROQZUKT-NSHDSACASA-N 0 1 345.355 2.935 20 5 EFBDMN O=C1NCCC[C@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591243830 478497849 /nfs/dbraw/zinc/49/78/49/478497849.db2.gz AFIIWWPYHKWZEA-WMZOPIPTSA-N 0 1 339.395 2.800 20 5 EFBDMN CO[C@H](CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000594694722 478499064 /nfs/dbraw/zinc/49/90/64/478499064.db2.gz CMIFCKRLPUVHLQ-CQSZACIVSA-N 0 1 328.390 2.542 20 5 EFBDMN Cc1cc(N)cc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000591280735 478508146 /nfs/dbraw/zinc/50/81/46/478508146.db2.gz BVZHOYFKJALYLZ-UHFFFAOYSA-N 0 1 329.356 2.546 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC000594733634 478520774 /nfs/dbraw/zinc/52/07/74/478520774.db2.gz ADGRTZORWUGLBX-BRWVUGGUSA-N 0 1 348.399 2.939 20 5 EFBDMN O=C([O-])[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000582240945 478547911 /nfs/dbraw/zinc/54/79/11/478547911.db2.gz UJBWNHJEZJOFNJ-ZWKOTPCHSA-N 0 1 340.379 2.938 20 5 EFBDMN C[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CC(C)C1 ZINC000563410468 478551054 /nfs/dbraw/zinc/55/10/54/478551054.db2.gz XRKPCDZZJMYQSP-GDBMZVCRSA-N 0 1 331.416 2.641 20 5 EFBDMN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000496136601 478560795 /nfs/dbraw/zinc/56/07/95/478560795.db2.gz HRZFUNWLTARPTO-LERXQTSPSA-N 0 1 349.387 2.876 20 5 EFBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000600970450 478590022 /nfs/dbraw/zinc/59/00/22/478590022.db2.gz KGHOEFNKNCREJW-AWEZNQCLSA-N 0 1 343.358 2.738 20 5 EFBDMN CSCC1(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000597980830 478605096 /nfs/dbraw/zinc/60/50/96/478605096.db2.gz DDHNCBGIZOXNAD-UHFFFAOYSA-N 0 1 334.401 2.734 20 5 EFBDMN Cc1ccc(CNCC2(S(C)(=O)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000594974659 478613674 /nfs/dbraw/zinc/61/36/74/478613674.db2.gz DRKQYQCUUQITBK-UHFFFAOYSA-N 0 1 340.445 2.740 20 5 EFBDMN Cc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582493182 478614161 /nfs/dbraw/zinc/61/41/61/478614161.db2.gz ZDROMCIITOKDKI-CYBMUJFWSA-N 0 1 335.404 2.912 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2noc(CN[C@@H](CO)C3CCCCC3)n2)c1 ZINC000541984589 478622846 /nfs/dbraw/zinc/62/28/46/478622846.db2.gz PFDROWZPEDBTII-HNNXBMFYSA-N 0 1 346.387 2.676 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)COc1ccccc1 ZINC000595004545 478625365 /nfs/dbraw/zinc/62/53/65/478625365.db2.gz UAMZCCKHAHHXGE-DZGCQCFKSA-N 0 1 346.383 2.694 20 5 EFBDMN COc1cc(CNc2nc(C(F)(F)F)cs2)cc([N+](=O)[O-])c1O ZINC000601064531 478637029 /nfs/dbraw/zinc/63/70/29/478637029.db2.gz ORFNLUVVAYDQMP-UHFFFAOYSA-N 0 1 349.290 2.818 20 5 EFBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cn(CC)nn1 ZINC000595066712 478649782 /nfs/dbraw/zinc/64/97/82/478649782.db2.gz BJIPURXZSMCYOY-LBPRGKRZSA-N 0 1 335.433 2.867 20 5 EFBDMN C[C@H](NCC1(S(C)(=O)=O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595076020 478652632 /nfs/dbraw/zinc/65/26/32/478652632.db2.gz COWLPZTYGHJAMA-ZDUSSCGKSA-N 0 1 340.445 2.993 20 5 EFBDMN Cc1oc(C(=O)[O-])cc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000571691687 478657576 /nfs/dbraw/zinc/65/75/76/478657576.db2.gz IATBRQSSQTWLCT-UHFFFAOYSA-N 0 1 345.355 2.517 20 5 EFBDMN CC(C)C[N@H+]1CC[C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000582787983 478685592 /nfs/dbraw/zinc/68/55/92/478685592.db2.gz BAZICBZGRFGKEW-CQSZACIVSA-N 0 1 335.404 2.612 20 5 EFBDMN COC1([C@H](C(=O)[O-])[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000595279608 478711330 /nfs/dbraw/zinc/71/13/30/478711330.db2.gz SEMVAULFRGMZCK-HOCLYGCPSA-N 0 1 348.399 2.797 20 5 EFBDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491861574 478713317 /nfs/dbraw/zinc/71/33/17/478713317.db2.gz VIWJQBYNHDKIMA-NRXPATIISA-N 0 1 329.400 2.693 20 5 EFBDMN CC(C)n1cc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000543505370 478749882 /nfs/dbraw/zinc/74/98/82/478749882.db2.gz QJMCEQVRLOSUKG-ZDUSSCGKSA-N 0 1 345.403 2.686 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000598306599 478756531 /nfs/dbraw/zinc/75/65/31/478756531.db2.gz IAJUJCIWHGNYRK-BLLLJJGKSA-N 0 1 334.372 2.722 20 5 EFBDMN CCOC(=O)c1c(C)[nH]nc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415001 478765942 /nfs/dbraw/zinc/76/59/42/478765942.db2.gz PMVPJGSJUSGBGS-SNVBAGLBSA-N 0 1 332.360 2.654 20 5 EFBDMN C[C@H](NC[C@@H](n1cncn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601294495 478769573 /nfs/dbraw/zinc/76/95/73/478769573.db2.gz OWKVCCFRRRCVMF-JOYOIKCWSA-N 0 1 329.282 2.641 20 5 EFBDMN Cc1ccc(OCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C)c1 ZINC000543737991 478778762 /nfs/dbraw/zinc/77/87/62/478778762.db2.gz AWIJHTADOHQXCZ-UHFFFAOYSA-N 0 1 330.340 2.726 20 5 EFBDMN CC[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000595437375 478782371 /nfs/dbraw/zinc/78/23/71/478782371.db2.gz GDOIPIZXFNVJEA-MRXNPFEDSA-N 0 1 344.415 2.988 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc4c(n3)CCC4)C2)nc1 ZINC000583189427 478786482 /nfs/dbraw/zinc/78/64/82/478786482.db2.gz HZSOPSFDJPFSII-OAHLLOKOSA-N 0 1 339.399 2.560 20 5 EFBDMN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000601333869 478792047 /nfs/dbraw/zinc/79/20/47/478792047.db2.gz HHHVMHGBBGIOIL-UHFFFAOYSA-N 0 1 335.379 2.824 20 5 EFBDMN COc1ccc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000595482878 478813115 /nfs/dbraw/zinc/81/31/15/478813115.db2.gz CJIPDOGYDYFOIG-STQMWFEESA-N 0 1 336.310 2.641 20 5 EFBDMN Cc1noc(CN2CCCN3c4ccccc4C[C@H]3C2)c1[N+](=O)[O-] ZINC000595488726 478816359 /nfs/dbraw/zinc/81/63/59/478816359.db2.gz IMWFWWZKVNOACL-AWEZNQCLSA-N 0 1 328.372 2.528 20 5 EFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC2(C[C@@H]1C)CCOCC2 ZINC000592183596 478817591 /nfs/dbraw/zinc/81/75/91/478817591.db2.gz URXNCEMUCUPZKU-UONOGXRCSA-N 0 1 347.415 2.813 20 5 EFBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@](CO)(c2ccccc2)C1 ZINC000595493437 478818292 /nfs/dbraw/zinc/81/82/92/478818292.db2.gz KIPAFKGAKLLADC-SFHVURJKSA-N 0 1 330.359 2.870 20 5 EFBDMN CC[C@@H](CC(F)F)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595522637 478833842 /nfs/dbraw/zinc/83/38/42/478833842.db2.gz DIJJNGHIFBFNTM-LBPRGKRZSA-N 0 1 328.363 2.793 20 5 EFBDMN Cc1noc(CNC2(Cc3ccccc3)CCOCC2)c1[N+](=O)[O-] ZINC000595525705 478836097 /nfs/dbraw/zinc/83/60/97/478836097.db2.gz GOHOYEIGMMIUTC-UHFFFAOYSA-N 0 1 331.372 2.773 20 5 EFBDMN O=[N+]([O-])c1cc(-c2nc([C@H]3CCCN3)no2)ccc1N1CCCC1 ZINC000592357913 478866576 /nfs/dbraw/zinc/86/65/76/478866576.db2.gz UUTLEQNAQRCYGY-GFCCVEGCSA-N 0 1 329.360 2.670 20 5 EFBDMN O=[N+]([O-])c1cc(Br)ccc1-c1nc([C@@H]2CCCN2)no1 ZINC000592356645 478867055 /nfs/dbraw/zinc/86/70/55/478867055.db2.gz CAPGQBJEHWNHKD-VIFPVBQESA-N 0 1 339.149 2.832 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1cnc[nH]1 ZINC000595595346 478874879 /nfs/dbraw/zinc/87/48/79/478874879.db2.gz URNJNNLVGFHWEZ-SNVBAGLBSA-N 0 1 328.332 2.561 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](CO)Cc1ccccc1 ZINC000595595112 478875002 /nfs/dbraw/zinc/87/50/02/478875002.db2.gz HABWISVMRNWMSY-QGZVFWFLSA-N 0 1 330.384 2.639 20 5 EFBDMN COc1cc(CN(C)Cc2cnc[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000595598219 478877548 /nfs/dbraw/zinc/87/75/48/478877548.db2.gz ZGHOVHVIHPFCFT-UHFFFAOYSA-N 0 1 342.302 2.560 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000492252481 478893568 /nfs/dbraw/zinc/89/35/68/478893568.db2.gz NKWYONHLJALSME-WDDYJBPVSA-N 0 1 329.360 2.727 20 5 EFBDMN C[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000507231434 478909578 /nfs/dbraw/zinc/90/95/78/478909578.db2.gz MFPFTARJEJWFMU-BXUZGUMPSA-N 0 1 347.337 2.509 20 5 EFBDMN C[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1CCO ZINC000595695899 478940327 /nfs/dbraw/zinc/94/03/27/478940327.db2.gz IYKGEYXYXBUJNW-WFASDCNBSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@@H]1CCC[N@@H+](CCCCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000572884592 478943949 /nfs/dbraw/zinc/94/39/49/478943949.db2.gz MIMIDXJBDXDOGM-GFCCVEGCSA-N 0 1 336.392 2.612 20 5 EFBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000572967728 478963815 /nfs/dbraw/zinc/96/38/15/478963815.db2.gz SDOSIVWICWAGMF-HZPDHXFCSA-N 0 1 326.352 2.895 20 5 EFBDMN COc1ccc([C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000595750951 478974626 /nfs/dbraw/zinc/97/46/26/478974626.db2.gz DOCRCLIPTFUXIZ-HNNXBMFYSA-N 0 1 334.351 2.776 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC[C@H]1C1CCC1 ZINC000565420356 479003192 /nfs/dbraw/zinc/00/31/92/479003192.db2.gz FMUQSJSULUSXOK-KRWDZBQOSA-N 0 1 347.415 2.733 20 5 EFBDMN Cc1[nH+]ccn1CCCN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000514606270 479032846 /nfs/dbraw/zinc/03/28/46/479032846.db2.gz WECUNQMQAPXHGI-UHFFFAOYSA-N 0 1 332.360 2.633 20 5 EFBDMN Cc1cccc(CN2CC[C@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000601848823 479037479 /nfs/dbraw/zinc/03/74/79/479037479.db2.gz CPAYRVRVYRFTFZ-INIZCTEOSA-N 0 1 339.395 2.908 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN[C@H](CO)c1ccc(F)cc1F ZINC000595867709 479041030 /nfs/dbraw/zinc/04/10/30/479041030.db2.gz OOIWCXMOPYIMLM-CQSZACIVSA-N 0 1 338.310 2.575 20 5 EFBDMN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000595898450 479059946 /nfs/dbraw/zinc/05/99/46/479059946.db2.gz OPLWUXPTDDQXFB-UTBFZLOTSA-N 0 1 340.326 2.550 20 5 EFBDMN CCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592832777 479064292 /nfs/dbraw/zinc/06/42/92/479064292.db2.gz VZAUBXRYOFDOIM-LBPRGKRZSA-N 0 1 325.796 2.805 20 5 EFBDMN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573452491 479072530 /nfs/dbraw/zinc/07/25/30/479072530.db2.gz ROLIVPVPGOELBW-NSHDSACASA-N 0 1 333.344 2.935 20 5 EFBDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573452491 479072534 /nfs/dbraw/zinc/07/25/34/479072534.db2.gz ROLIVPVPGOELBW-NSHDSACASA-N 0 1 333.344 2.935 20 5 EFBDMN CC[C@](C)(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000514914071 479087871 /nfs/dbraw/zinc/08/78/71/479087871.db2.gz OTVZVXOAGFCQQF-LBPRGKRZSA-N 0 1 330.266 2.932 20 5 EFBDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000598937557 479090938 /nfs/dbraw/zinc/09/09/38/479090938.db2.gz SNAKTYVTOOTSTA-WFASDCNBSA-N 0 1 342.399 2.685 20 5 EFBDMN C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCC1 ZINC000547746016 479120364 /nfs/dbraw/zinc/12/03/64/479120364.db2.gz XDWVMNLEYUJCNK-CQSZACIVSA-N 0 1 349.434 2.895 20 5 EFBDMN O=[N+]([O-])c1cncc(Cl)c1NC1CCN(Cc2ccncc2)CC1 ZINC000596081386 479126059 /nfs/dbraw/zinc/12/60/59/479126059.db2.gz HPAXNWVHLGNUQR-UHFFFAOYSA-N 0 1 347.806 2.537 20 5 EFBDMN C[C@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000596104458 479140805 /nfs/dbraw/zinc/14/08/05/479140805.db2.gz LDCALMUCNRROMT-LLVKDONJSA-N 0 1 346.353 2.661 20 5 EFBDMN C[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000596104259 479141191 /nfs/dbraw/zinc/14/11/91/479141191.db2.gz IUOZATKHQHLSCR-LLVKDONJSA-N 0 1 328.363 2.580 20 5 EFBDMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000584474915 479149419 /nfs/dbraw/zinc/14/94/19/479149419.db2.gz MYJASAFISCHMHP-KRWDZBQOSA-N 0 1 345.355 2.937 20 5 EFBDMN CCCn1cc[nH+]c1CCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000584532332 479168397 /nfs/dbraw/zinc/16/83/97/479168397.db2.gz JUITWGGZRLTPMD-UHFFFAOYSA-N 0 1 346.387 2.969 20 5 EFBDMN CC[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000610786672 479188785 /nfs/dbraw/zinc/18/87/85/479188785.db2.gz IRASZGQLNQYOKJ-AWEZNQCLSA-N 0 1 345.403 2.859 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000584664290 479199587 /nfs/dbraw/zinc/19/95/87/479199587.db2.gz BLVQBFNHOBWQBW-GHMZBOCLSA-N 0 1 325.796 2.803 20 5 EFBDMN C[C@@H]1[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000593187641 479228659 /nfs/dbraw/zinc/22/86/59/479228659.db2.gz NGVFABHYZGZEOG-XQQFMLRXSA-N 0 1 337.445 2.626 20 5 EFBDMN CSc1ccc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593188121 479230939 /nfs/dbraw/zinc/23/09/39/479230939.db2.gz VTRSTJSOBGFGBC-IJLUTSLNSA-N 0 1 337.445 2.870 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000593188232 479231118 /nfs/dbraw/zinc/23/11/18/479231118.db2.gz ZDAVJITUFIDNCR-UPJWGTAASA-N 0 1 346.431 2.722 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCc3ccccc3CC2)c1[N+](=O)[O-] ZINC000610922933 479232718 /nfs/dbraw/zinc/23/27/18/479232718.db2.gz BQTWTUSSLSRAIP-UHFFFAOYSA-N 0 1 328.372 2.682 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2c2ccccn2)c1[N+](=O)[O-] ZINC000610920562 479233604 /nfs/dbraw/zinc/23/36/04/479233604.db2.gz WGNBYEPSYMTRNY-GFCCVEGCSA-N 0 1 329.360 2.814 20 5 EFBDMN Cc1cc(N[C@@H]2CCC[C@H]([S@@](C)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596373532 479271004 /nfs/dbraw/zinc/27/10/04/479271004.db2.gz PNKBMNBUIKPGKH-OZZYPVQVSA-N 0 1 347.440 2.975 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H](CO)CC3CC3)cs2)c1 ZINC000611108221 479284043 /nfs/dbraw/zinc/28/40/43/479284043.db2.gz IGVARMQKCNNFDI-ZDUSSCGKSA-N 0 1 333.413 2.969 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC4(CCOC4)CC3)n2)cc1 ZINC000611177800 479301864 /nfs/dbraw/zinc/30/18/64/479301864.db2.gz LVXUJXXZRLLJEL-UHFFFAOYSA-N 0 1 344.371 2.647 20 5 EFBDMN CN[C@H](C)c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603230524 479311829 /nfs/dbraw/zinc/31/18/29/479311829.db2.gz AXHUZLNMRIJBLQ-MRVPVSSYSA-N 0 1 329.282 2.534 20 5 EFBDMN CCN1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000611271189 479332216 /nfs/dbraw/zinc/33/22/16/479332216.db2.gz UFRUEKZLMXECQI-LLVKDONJSA-N 0 1 329.347 2.722 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3n[nH]c4ccccc34)C2)nc1 ZINC000611272501 479332671 /nfs/dbraw/zinc/33/26/71/479332671.db2.gz HOOZKSHSUNRING-LBPRGKRZSA-N 0 1 338.371 2.553 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3[nH]nc4ccccc43)C2)nc1 ZINC000611272501 479332688 /nfs/dbraw/zinc/33/26/88/479332688.db2.gz HOOZKSHSUNRING-LBPRGKRZSA-N 0 1 338.371 2.553 20 5 EFBDMN O=[N+]([O-])c1c(NC[C@@H]2CCN2Cc2ccccc2)nc2sccn21 ZINC000596554219 479337149 /nfs/dbraw/zinc/33/71/49/479337149.db2.gz WSMNZCYQUZHXSZ-ZDUSSCGKSA-N 0 1 343.412 2.990 20 5 EFBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])CC1(C)COC1 ZINC000599572951 479337504 /nfs/dbraw/zinc/33/75/04/479337504.db2.gz JYZKPARZOYANCI-UHFFFAOYSA-N 0 1 329.194 2.826 20 5 EFBDMN CC(C)NC(=O)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602507868 479373778 /nfs/dbraw/zinc/37/37/78/479373778.db2.gz IMJNJRRZDNPTDG-UHFFFAOYSA-N 0 1 333.310 2.618 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CNCCN3Cc4ccccc4C3)nc2c1 ZINC000602509706 479374596 /nfs/dbraw/zinc/37/45/96/479374596.db2.gz IILDDWJFPWBENU-UHFFFAOYSA-N 0 1 338.367 2.841 20 5 EFBDMN CN1CCN(C)[C@H](CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000587975169 479378105 /nfs/dbraw/zinc/37/81/05/479378105.db2.gz JKGXISZMIONYOT-SNVBAGLBSA-N 0 1 333.219 2.559 20 5 EFBDMN COC(=O)[C@H]1CCCC[C@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611431689 479378327 /nfs/dbraw/zinc/37/83/27/479378327.db2.gz CLFYFDNMYITYKG-PXAZEXFGSA-N 0 1 347.371 2.948 20 5 EFBDMN CC(C)[C@H]1CNCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000602527745 479382928 /nfs/dbraw/zinc/38/29/28/479382928.db2.gz KRLZSMAASKFMSC-SWLSCSKDSA-N 0 1 337.445 2.532 20 5 EFBDMN Cc1cc(CNCc2cc(Br)c([N+](=O)[O-])s2)n[nH]1 ZINC000602549791 479392631 /nfs/dbraw/zinc/39/26/31/479392631.db2.gz DXUUKKMEKZLSQZ-UHFFFAOYSA-N 0 1 331.195 2.740 20 5 EFBDMN O=C(NCc1ccccc1N1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611554614 479414251 /nfs/dbraw/zinc/41/42/51/479414251.db2.gz CHCZSARRESNOEI-UHFFFAOYSA-N 0 1 341.367 2.831 20 5 EFBDMN O=C(NC1CCN(c2cccs2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611558520 479415000 /nfs/dbraw/zinc/41/50/00/479415000.db2.gz ASLNOCHQOMFZIS-UHFFFAOYSA-N 0 1 347.396 2.761 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611559697 479415975 /nfs/dbraw/zinc/41/59/75/479415975.db2.gz IOFODAVMPYKJKK-QWHCGFSZSA-N 0 1 334.372 2.579 20 5 EFBDMN CCc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnn1CC(C)C ZINC000611559351 479416105 /nfs/dbraw/zinc/41/61/05/479416105.db2.gz LIWBDFASIVNHKH-UHFFFAOYSA-N 0 1 332.360 2.968 20 5 EFBDMN O=C([O-])Cc1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000575185024 479417175 /nfs/dbraw/zinc/41/71/75/479417175.db2.gz KNEGLXGECDNZIO-AWEZNQCLSA-N 0 1 333.388 2.651 20 5 EFBDMN CCO[C@@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1OC ZINC000602614785 479424138 /nfs/dbraw/zinc/42/41/38/479424138.db2.gz DCUQGTULEFNMJH-MRVWCRGKSA-N 0 1 348.321 2.896 20 5 EFBDMN C/C=C\C[C@@H](CO)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602617204 479425541 /nfs/dbraw/zinc/42/55/41/479425541.db2.gz BKVNMXGAIRAQNF-KZUAUGPASA-N 0 1 335.223 2.836 20 5 EFBDMN Cc1nccc([C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834295 479434941 /nfs/dbraw/zinc/43/49/41/479434941.db2.gz OQKDFMXTELTNGN-HNNXBMFYSA-N 0 1 342.399 2.952 20 5 EFBDMN COc1ccc(CN2CCCN(c3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000603845120 479435936 /nfs/dbraw/zinc/43/59/36/479435936.db2.gz QUKJTBDCMSSZGQ-UHFFFAOYSA-N 0 1 342.399 2.711 20 5 EFBDMN O=[N+]([O-])c1ncccc1NCCCN1CCN(c2ccccc2)CC1 ZINC000603852123 479439402 /nfs/dbraw/zinc/43/94/02/479439402.db2.gz LVBZNPPAKKEXKN-UHFFFAOYSA-N 0 1 341.415 2.614 20 5 EFBDMN O=C([O-])c1cccc2c1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000593752452 479447415 /nfs/dbraw/zinc/44/74/15/479447415.db2.gz LSHUZWJIRAPBQP-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000593754298 479448496 /nfs/dbraw/zinc/44/84/96/479448496.db2.gz VGBAWYRBJWXKKG-INIZCTEOSA-N 0 1 331.328 2.546 20 5 EFBDMN C[S@](=O)C1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602650749 479450072 /nfs/dbraw/zinc/45/00/72/479450072.db2.gz GXEYFHGLQGOVKS-QFIPXVFZSA-N 0 1 336.335 2.614 20 5 EFBDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602665693 479460932 /nfs/dbraw/zinc/46/09/32/479460932.db2.gz XRJHEHVKLKGFQN-OORQEUNZSA-N 0 1 329.356 2.591 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)N2CCNC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599920181 479470971 /nfs/dbraw/zinc/47/09/71/479470971.db2.gz HQUXWFNYBMPUPN-CJNGLKHVSA-N 0 1 334.420 2.604 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCSC[C@@H]3CO)o2)cc1 ZINC000602750461 479530028 /nfs/dbraw/zinc/53/00/28/479530028.db2.gz HVBSWSPGMWUNMZ-AWEZNQCLSA-N 0 1 334.397 2.765 20 5 EFBDMN C[C@H](O)CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000594063626 479574364 /nfs/dbraw/zinc/57/43/64/479574364.db2.gz JYPOAFFVVHPXHZ-VIFPVBQESA-N 0 1 329.194 2.703 20 5 EFBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(=O)c2ccccc2)CC1 ZINC000602757803 479532756 /nfs/dbraw/zinc/53/27/56/479532756.db2.gz AFEGBJVCDQACAR-UHFFFAOYSA-N 0 1 342.399 2.695 20 5 EFBDMN Cc1ncc([C@H](C)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000614962434 479560761 /nfs/dbraw/zinc/56/07/61/479560761.db2.gz DJTHAETVBFBIJQ-GXTWGEPZSA-N 0 1 342.403 2.644 20 5 EFBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](C)C1(F)F ZINC000600182618 479567538 /nfs/dbraw/zinc/56/75/38/479567538.db2.gz GOLIQOYTPQMLGA-IUCAKERBSA-N 0 1 338.314 2.834 20 5 EFBDMN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1COCCO1 ZINC000597204928 479619562 /nfs/dbraw/zinc/61/95/62/479619562.db2.gz HNKFECUELJEBQX-CQSZACIVSA-N 0 1 332.356 2.702 20 5 EFBDMN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1COCCO1 ZINC000597204927 479620201 /nfs/dbraw/zinc/62/02/01/479620201.db2.gz HNKFECUELJEBQX-AWEZNQCLSA-N 0 1 332.356 2.702 20 5 EFBDMN CC(C)(CO)[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cccnc1 ZINC000590374820 479636086 /nfs/dbraw/zinc/63/60/86/479636086.db2.gz STGALWWLTUXXSE-MRXNPFEDSA-N 0 1 331.372 2.545 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000578995276 479644936 /nfs/dbraw/zinc/64/49/36/479644936.db2.gz HDQDWWCHTACAQJ-INIZCTEOSA-N 0 1 344.367 2.731 20 5 EFBDMN Cc1ncc([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000602955295 479649691 /nfs/dbraw/zinc/64/96/91/479649691.db2.gz IXMBGBUDSPGRQW-JTQLQIEISA-N 0 1 334.401 2.957 20 5 EFBDMN Cc1c(CC(=O)Nc2n[nH]c3cc(O)ccc32)cccc1[N+](=O)[O-] ZINC000590557738 479659602 /nfs/dbraw/zinc/65/96/02/479659602.db2.gz HUTAALCQQHDWIQ-UHFFFAOYSA-N 0 1 326.312 2.666 20 5 EFBDMN Cc1ccc2nc([C@H]3CCCN(c4c([N+](=O)[O-])ncn4C)C3)[nH]c2c1 ZINC000612451889 479674796 /nfs/dbraw/zinc/67/47/96/479674796.db2.gz AZASXCWCFZGGFL-LBPRGKRZSA-N 0 1 340.387 2.897 20 5 EFBDMN C[C@@H](C(=O)Nc1cc(N(C)C)ccn1)c1ccc([N+](=O)[O-])cc1F ZINC000612488678 479680822 /nfs/dbraw/zinc/68/08/22/479680822.db2.gz FQVVQOMKJLARCP-SNVBAGLBSA-N 0 1 332.335 2.937 20 5 EFBDMN O=C(Nc1ccc(-c2nnc[nH]2)cc1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000619252918 479733199 /nfs/dbraw/zinc/73/31/99/479733199.db2.gz YZWQMVYDRNYPGL-UHFFFAOYSA-N 0 1 345.265 2.910 20 5 EFBDMN COC(=O)CCC1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000619531656 479820469 /nfs/dbraw/zinc/82/04/69/479820469.db2.gz BZWSFESPVCHUEY-UHFFFAOYSA-N 0 1 336.388 2.769 20 5 EFBDMN CCc1cc(N2CCN(C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609450873 480161725 /nfs/dbraw/zinc/16/17/25/480161725.db2.gz ZXBVQHOCSXJKGG-CYBMUJFWSA-N 0 1 341.415 2.755 20 5 EFBDMN O=C(CN1C2CCCC1CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610395020 480296200 /nfs/dbraw/zinc/29/62/00/480296200.db2.gz LEYGVANSAKHXRR-UHFFFAOYSA-N 0 1 329.400 2.891 20 5 EFBDMN CC1CCC(N(Cc2c([N+](=O)[O-])ncn2C)C[C@H]2CCCO2)CC1 ZINC000610476437 480315268 /nfs/dbraw/zinc/31/52/68/480315268.db2.gz HCFWXDSDVMAISG-YMAMQOFZSA-N 0 1 336.436 2.888 20 5 EFBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)c1[N+](=O)[O-] ZINC000618241066 480582568 /nfs/dbraw/zinc/58/25/68/480582568.db2.gz MHZBVLBQGRITSI-SFYZADRCSA-N 0 1 334.298 2.683 20 5 EFBDMN Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000154854184 533753393 /nfs/dbraw/zinc/75/33/93/533753393.db2.gz KMVXQIJZWPVRRL-UHFFFAOYSA-N 0 1 331.416 2.994 20 5 EFBDMN COc1cc(CN(C)CCc2ccncc2)c([N+](=O)[O-])cc1OC ZINC000183756896 533786208 /nfs/dbraw/zinc/78/62/08/533786208.db2.gz JWLWXWULMPFBOM-UHFFFAOYSA-N 0 1 331.372 2.682 20 5 EFBDMN COc1cc(CN(C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000129972030 533796080 /nfs/dbraw/zinc/79/60/80/533796080.db2.gz PGXNXNHQQCYQIM-GFCCVEGCSA-N 0 1 336.388 2.613 20 5 EFBDMN Cc1c(C[N@H+](C)Cc2nc(=O)c3sccc3[n-]2)cccc1[N+](=O)[O-] ZINC000131708035 533843642 /nfs/dbraw/zinc/84/36/42/533843642.db2.gz LMIJBNBOJTYUDI-UHFFFAOYSA-N 0 1 344.396 2.833 20 5 EFBDMN Cc1c(C[N@@H+](C)Cc2nc(=O)c3sccc3[n-]2)cccc1[N+](=O)[O-] ZINC000131708035 533843646 /nfs/dbraw/zinc/84/36/46/533843646.db2.gz LMIJBNBOJTYUDI-UHFFFAOYSA-N 0 1 344.396 2.833 20 5 EFBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000178649242 533977317 /nfs/dbraw/zinc/97/73/17/533977317.db2.gz AMEFNJSPPUEZKS-KBPBESRZSA-N 0 1 327.384 2.950 20 5 EFBDMN CCc1cnc(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)s1 ZINC000083009823 517858628 /nfs/dbraw/zinc/85/86/28/517858628.db2.gz KFKVBNNZDOBGES-UHFFFAOYSA-N 0 1 345.384 2.762 20 5 EFBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCSC[C@@H]1c1ccccc1 ZINC000159829613 534320927 /nfs/dbraw/zinc/32/09/27/534320927.db2.gz HNVDVARVUQXNTD-MRXNPFEDSA-N 0 1 345.424 2.547 20 5 EFBDMN CC(C)(C(=O)Nc1ccc2[nH]nnc2c1)c1ccccc1[N+](=O)[O-] ZINC000342212029 534377535 /nfs/dbraw/zinc/37/75/35/534377535.db2.gz XWTUOELAMOKASW-UHFFFAOYSA-N 0 1 325.328 2.782 20 5 EFBDMN CCS[C@H]1CC[C@@H](N(C)C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000178079062 521732550 /nfs/dbraw/zinc/73/25/50/521732550.db2.gz NJHHTRMZIIHQOY-ZJUUUORDSA-N 0 1 326.422 2.627 20 5 EFBDMN CN(CCc1ccccc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067377462 522956763 /nfs/dbraw/zinc/95/67/63/522956763.db2.gz OMPRCRXGOPRUIS-GOSISDBHSA-N 0 1 339.395 2.875 20 5 EFBDMN COc1cc([C@H]2Nc3ccc(C)cc3C(=O)N2C)cc([N+](=O)[O-])c1O ZINC000153669637 522966141 /nfs/dbraw/zinc/96/61/41/522966141.db2.gz CLHKJUZXVHSPGP-INIZCTEOSA-N 0 1 343.339 2.814 20 5 EFBDMN CN(CCc1cccs1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000173758343 522971294 /nfs/dbraw/zinc/97/12/94/522971294.db2.gz QHRSYLBGNYQMFN-MRXNPFEDSA-N 0 1 345.424 2.936 20 5 EFBDMN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364883830 534680277 /nfs/dbraw/zinc/68/02/77/534680277.db2.gz VWXAUYLNLDNAEB-AWEZNQCLSA-N 0 1 343.387 2.656 20 5 EFBDMN COCc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000179390746 523086522 /nfs/dbraw/zinc/08/65/22/523086522.db2.gz HQOKYKMPGJDUOI-UHFFFAOYSA-N 0 1 336.369 2.850 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000176523461 523666322 /nfs/dbraw/zinc/66/63/22/523666322.db2.gz MVRJEOCVHZXBIL-DGCLKSJQSA-N 0 1 328.372 2.899 20 5 EFBDMN CN(c1ncc([N+](=O)[O-])s1)C1CCN(CCc2ccccn2)CC1 ZINC000195512018 523666297 /nfs/dbraw/zinc/66/62/97/523666297.db2.gz VWOKOGRYWIKBFO-UHFFFAOYSA-N 0 1 347.444 2.590 20 5 EFBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(NS(C)(=O)=O)cc1 ZINC000195235730 525466411 /nfs/dbraw/zinc/46/64/11/525466411.db2.gz BEIVQRZLXLZTKZ-LBPRGKRZSA-N 0 1 349.412 2.817 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000194719702 525468130 /nfs/dbraw/zinc/46/81/30/525468130.db2.gz FJBDAEGMMDQYMN-NWDGAFQWSA-N 0 1 344.371 2.676 20 5 EFBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccn1 ZINC000146489595 525504028 /nfs/dbraw/zinc/50/40/28/525504028.db2.gz BHBZVHYRPRNNMB-VIFPVBQESA-N 0 1 341.776 2.683 20 5 EFBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccnc1 ZINC000146543445 525574124 /nfs/dbraw/zinc/57/41/24/525574124.db2.gz ZYCUFOFPKYMHCP-SECBINFHSA-N 0 1 341.776 2.683 20 5 EFBDMN Cc1c(NS(=O)(=O)c2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000119678256 525872316 /nfs/dbraw/zinc/87/23/16/525872316.db2.gz SOUGIXJNPAJINI-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccccn3)CC2)n1 ZINC000121566740 526059586 /nfs/dbraw/zinc/05/95/86/526059586.db2.gz QWDDHKRFDCQUNU-UHFFFAOYSA-N 0 1 327.388 2.770 20 5 EFBDMN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1Cc1ccccc1 ZINC000057174174 526760635 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CCC[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000131880940 527786121 /nfs/dbraw/zinc/78/61/21/527786121.db2.gz WVLOPIYBAUSOQW-OAHLLOKOSA-N 0 1 335.404 2.733 20 5 EFBDMN CC[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178670991 529207436 /nfs/dbraw/zinc/20/74/36/529207436.db2.gz BMGYDTVNASEWBL-OLZOCXBDSA-N 0 1 345.321 2.799 20 5 EFBDMN CCS[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000178032626 529214750 /nfs/dbraw/zinc/21/47/50/529214750.db2.gz LTPNYDUSAKPGCZ-QWHCGFSZSA-N 0 1 334.401 2.875 20 5 EFBDMN CC(C)Oc1cc(C(=O)N2CCN(C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000412285191 534944703 /nfs/dbraw/zinc/94/47/03/534944703.db2.gz KNUGYRLHCJQQFG-MRXNPFEDSA-N 0 1 349.431 2.794 20 5 EFBDMN CCCNC(=O)c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356343902 535153060 /nfs/dbraw/zinc/15/30/60/535153060.db2.gz QAJNUWZKRIPNOJ-UHFFFAOYSA-N 0 1 343.339 2.693 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccccc2N(C)C)c1[N+](=O)[O-] ZINC000356542794 535319591 /nfs/dbraw/zinc/31/95/91/535319591.db2.gz PAIMAFXEIKMQTE-UHFFFAOYSA-N 0 1 345.403 2.780 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000343491695 535420605 /nfs/dbraw/zinc/42/06/05/535420605.db2.gz BCLDKGSXHXWSKT-QWHCGFSZSA-N 0 1 335.404 2.655 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412399519 535562904 /nfs/dbraw/zinc/56/29/04/535562904.db2.gz ZRKZQRFBHNNCRB-XOKHGSTOSA-N 0 1 331.416 2.641 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345935218 535777167 /nfs/dbraw/zinc/77/71/67/535777167.db2.gz APRPFZXTTWVNNM-WDEREUQCSA-N 0 1 325.796 2.803 20 5 EFBDMN CC[C@@H](O)[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266000070 535815502 /nfs/dbraw/zinc/81/55/02/535815502.db2.gz IXIUTUYNRVNCPC-LSDHHAIUSA-N 0 1 346.387 2.770 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@](C)(c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000364294134 536002883 /nfs/dbraw/zinc/00/28/83/536002883.db2.gz WMCSRIGTENCXPH-SFHVURJKSA-N 0 1 342.399 2.993 20 5 EFBDMN CCc1cnccc1[C@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000361136585 536105087 /nfs/dbraw/zinc/10/50/87/536105087.db2.gz QXKGSBAPNBYMDO-ZDUSSCGKSA-N 0 1 342.399 2.866 20 5 EFBDMN CN(C)c1nc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2o1 ZINC000356807271 536156111 /nfs/dbraw/zinc/15/61/11/536156111.db2.gz VNHBXFKZTNKEMU-UHFFFAOYSA-N 0 1 342.311 2.760 20 5 EFBDMN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356784247 536557129 /nfs/dbraw/zinc/55/71/29/536557129.db2.gz PQARVMJWQLEGPR-MGPLVRAMSA-N 0 1 348.330 2.946 20 5 EFBDMN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356761223 536674128 /nfs/dbraw/zinc/67/41/28/536674128.db2.gz BWMGLDOVJMNBKS-QFYYESIMSA-N 0 1 348.330 2.946 20 5 EFBDMN COc1ccc(O[C@H](C)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356633052 536862091 /nfs/dbraw/zinc/86/20/91/536862091.db2.gz JRTWGJYAMMWENT-LLVKDONJSA-N 0 1 346.339 2.506 20 5 EFBDMN CN(Cc1n[nH]c(=O)o1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000673479131 547903389 /nfs/dbraw/zinc/90/33/89/547903389.db2.gz MCGODELKNCSGME-UHFFFAOYSA-N 0 1 334.335 2.749 20 5 EFBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000756335033 575719419 /nfs/dbraw/zinc/71/94/19/575719419.db2.gz WBMMIYNPTYUWOR-VHSXEESVSA-N 0 1 326.784 2.805 20 5 EFBDMN COC(C)(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000758815706 575877874 /nfs/dbraw/zinc/87/78/74/575877874.db2.gz LOKFRYHGYHMSKC-JTQLQIEISA-N 0 1 343.811 2.932 20 5 EFBDMN COC(C)(C)CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000758815706 575877875 /nfs/dbraw/zinc/87/78/75/575877875.db2.gz LOKFRYHGYHMSKC-JTQLQIEISA-N 0 1 343.811 2.932 20 5 EFBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(Nc3ccccn3)CC2)c1 ZINC000761121545 576116919 /nfs/dbraw/zinc/11/69/19/576116919.db2.gz WBCZYXZAWQACHJ-QGZVFWFLSA-N 0 1 342.399 2.600 20 5 EFBDMN NC(=O)CCC1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761511704 576172982 /nfs/dbraw/zinc/17/29/82/576172982.db2.gz ODSBNYYPBAAPFQ-UHFFFAOYSA-N 0 1 325.796 2.726 20 5 EFBDMN N=C(NOCc1c(F)cccc1[N+](=O)[O-])[C@H]1COc2ccccc2O1 ZINC000764578697 576474628 /nfs/dbraw/zinc/47/46/28/576474628.db2.gz PPRNIWUVBRFJDT-OAHLLOKOSA-N 0 1 347.302 2.572 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(=O)NCc1ccccc1 ZINC000765380369 577037158 /nfs/dbraw/zinc/03/71/58/577037158.db2.gz DIEYCOUAGOZPDZ-AWEZNQCLSA-N 0 1 327.384 2.870 20 5 EFBDMN O=C(Cc1ccccc1[N+](=O)[O-])OC[C@H]1CCCN1Cc1ccco1 ZINC000765970788 577093896 /nfs/dbraw/zinc/09/38/96/577093896.db2.gz IXLYVRHHTOYIRL-OAHLLOKOSA-N 0 1 344.367 2.938 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766554145 577166114 /nfs/dbraw/zinc/16/61/14/577166114.db2.gz FWEDZFGGNARADR-GHMZBOCLSA-N 0 1 325.796 2.803 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000766555038 577166172 /nfs/dbraw/zinc/16/61/72/577166172.db2.gz IBKUPEDMYFHTDI-WDEREUQCSA-N 0 1 325.796 2.803 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000766555036 577166203 /nfs/dbraw/zinc/16/62/03/577166203.db2.gz IBKUPEDMYFHTDI-MNOVXSKESA-N 0 1 325.796 2.803 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n[nH]1 ZINC000768716827 577296894 /nfs/dbraw/zinc/29/68/94/577296894.db2.gz SFPJJZHASDUVCI-QMMMGPOBSA-N 0 1 337.767 2.981 20 5 EFBDMN C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc([N+](=O)[O-])cc1F ZINC000768945898 577319205 /nfs/dbraw/zinc/31/92/05/577319205.db2.gz MYHABOMXDMQVAO-SNVBAGLBSA-N 0 1 327.356 2.737 20 5 EFBDMN CN(CCOC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000769051495 577328414 /nfs/dbraw/zinc/32/84/14/577328414.db2.gz XNNSEUFGBXWUJU-UHFFFAOYSA-N 0 1 346.358 2.952 20 5 EFBDMN CCCCN(CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000726586539 577374245 /nfs/dbraw/zinc/37/42/45/577374245.db2.gz LKRXTCCWNQNGEE-UHFFFAOYSA-N 0 1 346.387 2.585 20 5 EFBDMN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H](N2CC=CC2)C1 ZINC000770018380 577397986 /nfs/dbraw/zinc/39/79/86/577397986.db2.gz YIQIIHJAVARRLI-LBPRGKRZSA-N 0 1 336.779 2.726 20 5 EFBDMN CCN(CCc1ccccn1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000771295595 581196697 /nfs/dbraw/zinc/19/66/97/581196697.db2.gz IUABRMFHEKTKLN-UHFFFAOYSA-N 0 1 331.376 2.541 20 5 EFBDMN CCCOC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000772816283 581371298 /nfs/dbraw/zinc/37/12/98/581371298.db2.gz WMADUULRYZUJEC-AWEZNQCLSA-N 0 1 332.312 2.774 20 5 EFBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc(F)n1 ZINC000773091403 581396039 /nfs/dbraw/zinc/39/60/39/581396039.db2.gz WYAANSWCHLYMQL-NSHDSACASA-N 0 1 332.335 2.636 20 5 EFBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cc1n[nH]c3ccccc31)CC2 ZINC000773990080 581477292 /nfs/dbraw/zinc/47/72/92/581477292.db2.gz BTTGYNLBVIDIFX-UHFFFAOYSA-N 0 1 336.351 2.911 20 5 EFBDMN O=C([O-])C[C@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000819385210 597048187 /nfs/dbraw/zinc/04/81/87/597048187.db2.gz GDVFYZFKSCQOLQ-CYBMUJFWSA-N 0 1 344.371 2.603 20 5 EFBDMN O=C([O-])[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000821510800 598128760 /nfs/dbraw/zinc/12/87/60/598128760.db2.gz LSHNVNZSNADUAL-NSHDSACASA-N 0 1 333.369 2.625 20 5 EFBDMN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000739624718 600083220 /nfs/dbraw/zinc/08/32/20/600083220.db2.gz KCJOTORPGKOJLD-INIZCTEOSA-N 0 1 330.315 2.745 20 5 EFBDMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000739624718 600083224 /nfs/dbraw/zinc/08/32/24/600083224.db2.gz KCJOTORPGKOJLD-INIZCTEOSA-N 0 1 330.315 2.745 20 5 EFBDMN C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000737449994 600214929 /nfs/dbraw/zinc/21/49/29/600214929.db2.gz VGZJXJUFZOMNCR-MRXNPFEDSA-N 0 1 330.340 2.731 20 5 EFBDMN O=C([O-])CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000739724107 600216290 /nfs/dbraw/zinc/21/62/90/600216290.db2.gz HNDJCBSKOMPAHH-ZDUSSCGKSA-N 0 1 342.779 2.704 20 5 EFBDMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000827928749 601012430 /nfs/dbraw/zinc/01/24/30/601012430.db2.gz OTGBAFUYKKVVBE-WDEREUQCSA-N 0 1 346.343 2.528 20 5 EFBDMN C[C@@H]1C[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000828184090 601562096 /nfs/dbraw/zinc/56/20/96/601562096.db2.gz NSCZJSUAHCVKDD-FZKQWKSJSA-N 0 1 331.372 2.730 20 5 EFBDMN O=C([O-])c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000833306594 602252535 /nfs/dbraw/zinc/25/25/35/602252535.db2.gz CZOYMBUSHZUIFI-NXEZZACHSA-N 0 1 339.779 2.985 20 5 EFBDMN Cc1cc(N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891022 602316948 /nfs/dbraw/zinc/31/69/48/602316948.db2.gz KKPBYXLCGCBISL-CABCVRRESA-N 0 1 333.388 2.664 20 5 EFBDMN Cc1c(NC(=O)CC[N@@H+](CC(=O)[O-])C2CCCC2)cccc1[N+](=O)[O-] ZINC000832857695 602339262 /nfs/dbraw/zinc/33/92/62/602339262.db2.gz VJMOSWHKEBPQLN-UHFFFAOYSA-N 0 1 349.387 2.561 20 5 EFBDMN CC[N@H+]1CCC[C@@H]1CN(C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000829764860 604270886 /nfs/dbraw/zinc/27/08/86/604270886.db2.gz ABMVSITWZSQYGI-SNVBAGLBSA-N 0 1 341.795 2.867 20 5 EFBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000833553573 604674455 /nfs/dbraw/zinc/67/44/55/604674455.db2.gz FPHAGEWRJAFIPX-CYBMUJFWSA-N 0 1 343.177 2.654 20 5 EFBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000833419521 604862942 /nfs/dbraw/zinc/86/29/42/604862942.db2.gz MVIFQHGKMFVILF-ZDUSSCGKSA-N 0 1 346.387 2.725 20 5 EFBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000833419476 604866264 /nfs/dbraw/zinc/86/62/64/604866264.db2.gz LFOIWFUCGOSICS-ZDUSSCGKSA-N 0 1 346.387 2.725 20 5 EFBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000833212183 604976944 /nfs/dbraw/zinc/97/69/44/604976944.db2.gz UVMSBMKRHJORJL-SECBINFHSA-N 0 1 337.357 2.769 20 5 EFBDMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000833584605 605358463 /nfs/dbraw/zinc/35/84/63/605358463.db2.gz QIZLLLHHYBVLHG-OAHLLOKOSA-N 0 1 332.356 2.707 20 5 EFBDMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000833585148 605379718 /nfs/dbraw/zinc/37/97/18/605379718.db2.gz UYGNJCGACUXYBD-HNNXBMFYSA-N 0 1 332.356 2.707 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1COC2(CCCC2)O1 ZINC000850449320 1250489937 /nfs/dbraw/zinc/48/99/37/1250489937.db2.gz VMNLSRKQEBWIBL-GXTWGEPZSA-N 0 1 336.388 2.940 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1COc2ccccc2[C@@H]1O ZINC000850468509 1250496020 /nfs/dbraw/zinc/49/60/20/1250496020.db2.gz HYMFDEXNXYOTHT-GYOIFBIXSA-N 0 1 344.367 2.749 20 5 EFBDMN COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(C)c1C ZINC000851194718 1250853040 /nfs/dbraw/zinc/85/30/40/1250853040.db2.gz DXACPXBBVOIILK-CQSZACIVSA-N 0 1 332.312 2.611 20 5 EFBDMN Cc1n[nH]c(C(=O)NCC=CCNc2cc(C)ccc2[N+](=O)[O-])c1C ZINC001107119302 1253732193 /nfs/dbraw/zinc/73/21/93/1253732193.db2.gz WQPVQNGXEIJMOS-PLNGDYQASA-N 0 1 343.387 2.641 20 5 EFBDMN CCC(=O)N1CC[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]2CC1 ZINC000946424350 1258755441 /nfs/dbraw/zinc/75/54/41/1258755441.db2.gz IAYCHHYXCOCUJP-OKILXGFUSA-N 0 1 337.445 2.737 20 5 EFBDMN CCN1CCC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000922640262 1266513916 /nfs/dbraw/zinc/51/39/16/1266513916.db2.gz RRNOXUNODRXDLF-OAHLLOKOSA-N 0 1 343.383 2.955 20 5 EFBDMN CC(C)[C@H](N)c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000843149513 1262878760 /nfs/dbraw/zinc/87/87/60/1262878760.db2.gz AKZUKIDWOAKMKL-AWEZNQCLSA-N 0 1 331.376 2.901 20 5 EFBDMN CCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000734152175 1266885837 /nfs/dbraw/zinc/88/58/37/1266885837.db2.gz QTFISQAAZZYSQI-NSHDSACASA-N 0 1 341.795 2.545 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000735562393 1267366309 /nfs/dbraw/zinc/36/63/09/1267366309.db2.gz KKYSUPOMHZFRMZ-HNNXBMFYSA-N 0 1 339.823 2.545 20 5 EFBDMN CN(C(=O)C(C)(C)F)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005031310 1268432418 /nfs/dbraw/zinc/43/24/18/1268432418.db2.gz RLJGISPUOYVFII-UHFFFAOYSA-N 0 1 337.395 2.766 20 5 EFBDMN CC(C)[C@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000741014052 1269231867 /nfs/dbraw/zinc/23/18/67/1269231867.db2.gz ILNZIBIHLMPNHB-MRXNPFEDSA-N 0 1 336.388 2.637 20 5 EFBDMN C[C@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000741017563 1269249688 /nfs/dbraw/zinc/24/96/88/1269249688.db2.gz CPOCFNYXRLIEGX-MGPQQGTHSA-N 0 1 336.388 2.778 20 5 EFBDMN C[C@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@@H]1C ZINC000741017561 1269249896 /nfs/dbraw/zinc/24/98/96/1269249896.db2.gz CPOCFNYXRLIEGX-HZSPNIEDSA-N 0 1 336.388 2.778 20 5 EFBDMN C[C@@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000741028799 1269262197 /nfs/dbraw/zinc/26/21/97/1269262197.db2.gz JALIJWMMMIJQRD-AWEZNQCLSA-N 0 1 336.388 2.781 20 5 EFBDMN O=[N+]([O-])c1ccc2c(cnn2CN2CCCC3(CCOCC3)C2)c1 ZINC000742159126 1269921607 /nfs/dbraw/zinc/92/16/07/1269921607.db2.gz MVQPSMQEOHOPKB-UHFFFAOYSA-N 0 1 330.388 2.795 20 5 EFBDMN CC(C)[C@@H](CCO)NCc1c(Br)cccc1[N+](=O)[O-] ZINC000742380461 1270013996 /nfs/dbraw/zinc/01/39/96/1270013996.db2.gz MOYBRUXDGAAOJV-GFCCVEGCSA-N 0 1 331.210 2.854 20 5 EFBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CCc3nn(-c4ccccc4)cc3C2)C1 ZINC001169036728 1272600538 /nfs/dbraw/zinc/60/05/38/1272600538.db2.gz HFXXTGYBQDCIIX-YOEHRIQHSA-N 0 1 326.400 2.676 20 5 EFBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ccc(F)cc3F)CC2)C1 ZINC001169038306 1272605619 /nfs/dbraw/zinc/60/56/19/1272605619.db2.gz XXJKVRXALDKRGT-JSGCOSHPSA-N 0 1 325.359 2.532 20 5 EFBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1cc2c(o1)CCCC2 ZINC001129186486 1274164506 /nfs/dbraw/zinc/16/45/06/1274164506.db2.gz GBSFNGAWTZCKII-UHFFFAOYSA-N 0 1 349.412 2.648 20 5 EFBDMN CCc1cc(C(=O)N(C)CCCNc2ccc(C)cc2[N+](=O)[O-])n[nH]1 ZINC001109369945 1274199919 /nfs/dbraw/zinc/19/99/19/1274199919.db2.gz PIKIIFCAWZIBGA-UHFFFAOYSA-N 0 1 345.403 2.763 20 5 EFBDMN Cc1ccc(NCCCN(C)C(=O)CCc2cnc[nH]2)c([N+](=O)[O-])c1 ZINC001109652787 1274521369 /nfs/dbraw/zinc/52/13/69/1274521369.db2.gz BGBZUUQWOCXSAD-UHFFFAOYSA-N 0 1 345.403 2.520 20 5 EFBDMN O=C(CC1(C(F)(F)F)CC1)NCCNCc1ccccc1[N+](=O)[O-] ZINC001129234952 1275288364 /nfs/dbraw/zinc/28/83/64/1275288364.db2.gz KXFSUDZNUJMCBQ-UHFFFAOYSA-N 0 1 345.321 2.533 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)CO1 ZINC000844389953 1278942746 /nfs/dbraw/zinc/94/27/46/1278942746.db2.gz BJSZAGDTLSICGG-YPMHNXCESA-N 0 1 339.367 2.562 20 5 EFBDMN COc1ccc(C[C@H](C)N2CCc3cnccc3C2)c([N+](=O)[O-])c1 ZINC001170329855 1279020606 /nfs/dbraw/zinc/02/06/06/1279020606.db2.gz VZBUAXMGZHPKGE-ZDUSSCGKSA-N 0 1 327.384 2.988 20 5 EFBDMN CC(C)(C)Oc1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819201504 1276675215 /nfs/dbraw/zinc/67/52/15/1276675215.db2.gz QMRRBYTZRXWDMX-INIZCTEOSA-N 0 1 345.399 2.990 20 5 EFBDMN C[C@@H]1CN(CCN(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000789763951 1276971133 /nfs/dbraw/zinc/97/11/33/1276971133.db2.gz AXMKTCIYLABXAW-BETUJISGSA-N 0 1 341.839 2.789 20 5 EFBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1ccsc1Cl ZINC001134812420 1287255463 /nfs/dbraw/zinc/25/54/63/1287255463.db2.gz KNHZXILEHOIPMI-UHFFFAOYSA-N 0 1 339.804 2.829 20 5 EFBDMN COc1ccc(C[C@@H](C)N2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170334433 1279026056 /nfs/dbraw/zinc/02/60/56/1279026056.db2.gz DRRSVFVXAYVHOD-YGRLFVJLSA-N 0 1 348.321 2.534 20 5 EFBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923245355 1277342638 /nfs/dbraw/zinc/34/26/38/1277342638.db2.gz VAYJWPWRNSSJFY-CYBMUJFWSA-N 0 1 343.177 2.654 20 5 EFBDMN CN(CC(C)(C)CNc1ccccc1[N+](=O)[O-])C(=O)c1ccn[nH]1 ZINC001113409485 1277780737 /nfs/dbraw/zinc/78/07/37/1277780737.db2.gz MAEPRAXKRBNMKI-UHFFFAOYSA-N 0 1 331.376 2.528 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(NCC(C)(C)CN(C)C(=O)c2ccn[nH]2)c1 ZINC001113409390 1277781595 /nfs/dbraw/zinc/78/15/95/1277781595.db2.gz GMFCEQVPRLHVTD-UHFFFAOYSA-N 0 1 345.403 2.837 20 5 EFBDMN Cc1cc(NCC(C)(C)CN(C)C(=O)c2ccn[nH]2)ccc1[N+](=O)[O-] ZINC001113409680 1277782442 /nfs/dbraw/zinc/78/24/42/1277782442.db2.gz VULCJRKUESDCPN-UHFFFAOYSA-N 0 1 345.403 2.837 20 5 EFBDMN COc1ccc(COC(=O)c2c(F)cc(O)cc2F)cc1[N+](=O)[O-] ZINC000746987310 1277982274 /nfs/dbraw/zinc/98/22/74/1277982274.db2.gz OKAXCTNMOPNIPB-UHFFFAOYSA-N 0 1 339.250 2.944 20 5 EFBDMN COc1ccc(C[C@H](C)N2CCc3ccncc3C2)c([N+](=O)[O-])c1 ZINC001170348475 1279056128 /nfs/dbraw/zinc/05/61/28/1279056128.db2.gz XNTGOPJRBVZNGS-ZDUSSCGKSA-N 0 1 327.384 2.988 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000844643571 1279162401 /nfs/dbraw/zinc/16/24/01/1279162401.db2.gz UKHXVMXIVFHXSC-GMTAPVOTSA-N 0 1 325.796 2.801 20 5 EFBDMN C[C@@H]1[C@H](C)N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H](C)CN1C ZINC000844643570 1279162591 /nfs/dbraw/zinc/16/25/91/1279162591.db2.gz UKHXVMXIVFHXSC-AXFHLTTASA-N 0 1 325.796 2.801 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793124911 1279370269 /nfs/dbraw/zinc/37/02/69/1279370269.db2.gz RDBWCCJNLKTKQA-UHFFFAOYSA-N 0 1 340.295 2.608 20 5 EFBDMN O=[N+]([O-])c1cc(F)c(Cl)cc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000845554228 1279722212 /nfs/dbraw/zinc/72/22/12/1279722212.db2.gz GESLVLFCYOHCSD-JTQLQIEISA-N 0 1 331.775 2.646 20 5 EFBDMN CCO[C@@H]1COC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872079219 1287422236 /nfs/dbraw/zinc/42/22/36/1287422236.db2.gz XODZJRGXJMAOKU-LERXQTSPSA-N 0 1 326.418 2.771 20 5 EFBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCC=C(c3ccccn3)C2)cc1 ZINC000846924671 1280619840 /nfs/dbraw/zinc/61/98/40/1280619840.db2.gz ZIWYPDBWTUCZJR-GOSISDBHSA-N 0 1 325.368 2.813 20 5 EFBDMN Cc1ccc(CCC(=O)NCCNCc2ccccc2[N+](=O)[O-])cc1 ZINC001131094299 1281469218 /nfs/dbraw/zinc/46/92/18/1281469218.db2.gz LSSZCGDXYNZHLZ-UHFFFAOYSA-N 0 1 341.411 2.742 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H](C4CC4)C3)n2)cc1 ZINC000808230831 1281600865 /nfs/dbraw/zinc/60/08/65/1281600865.db2.gz QZHJVPDFQCCXBP-HNNXBMFYSA-N 0 1 327.388 2.933 20 5 EFBDMN Cc1ccc(C)c(C(=O)NCCNCc2ccccc2[N+](=O)[O-])c1 ZINC001148961468 1281822320 /nfs/dbraw/zinc/82/23/20/1281822320.db2.gz PHTUMSFMYGDJJY-UHFFFAOYSA-N 0 1 327.384 2.731 20 5 EFBDMN COc1cccc2c(C(=O)OCCc3ccc([N+](=O)[O-])cc3)[nH]nc21 ZINC000808676908 1281861244 /nfs/dbraw/zinc/86/12/44/1281861244.db2.gz SITBPPMARKOBBE-UHFFFAOYSA-N 0 1 341.323 2.879 20 5 EFBDMN COc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000809058821 1282006258 /nfs/dbraw/zinc/00/62/58/1282006258.db2.gz XCGOWZWVTVMBAV-UHFFFAOYSA-N 0 1 341.117 2.913 20 5 EFBDMN O=[N+]([O-])c1ccccc1Cc1noc(Cc2[nH]nc3c2CCCC3)n1 ZINC000809239890 1282096128 /nfs/dbraw/zinc/09/61/28/1282096128.db2.gz IVJWRYVVQIQRDU-UHFFFAOYSA-N 0 1 339.355 2.761 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc(Cc3[nH]nc4c3CCCC4)n2)s1 ZINC000809467901 1282227016 /nfs/dbraw/zinc/22/70/16/1282227016.db2.gz DOCBEWCYVOACJA-UHFFFAOYSA-N 0 1 331.357 2.899 20 5 EFBDMN O=[N+]([O-])c1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)cc1Cl ZINC000809793111 1282490732 /nfs/dbraw/zinc/49/07/32/1282490732.db2.gz RJNGDMVHIZTGST-CZUORRHYSA-N 0 1 334.759 2.832 20 5 EFBDMN C[C@@H]1[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCN1C ZINC000809915849 1282563440 /nfs/dbraw/zinc/56/34/40/1282563440.db2.gz RYPHSJZNNJZAJR-ZJUUUORDSA-N 0 1 326.784 2.805 20 5 EFBDMN Cc1cc(F)cc(C)c1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001132239241 1283197803 /nfs/dbraw/zinc/19/78/03/1283197803.db2.gz CAYSWJMVRLAQPQ-UHFFFAOYSA-N 0 1 345.374 2.870 20 5 EFBDMN Cc1ccc(NCCNC(=O)c2cccc3nc[nH]c32)c([N+](=O)[O-])c1 ZINC001093800968 1284531719 /nfs/dbraw/zinc/53/17/19/1284531719.db2.gz YFMHZJGUKXMDRX-UHFFFAOYSA-N 0 1 339.355 2.621 20 5 EFBDMN Cc1c(Cl)nccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000811835986 1284666791 /nfs/dbraw/zinc/66/67/91/1284666791.db2.gz YQEFHIZLGYTJGW-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN Cc1cc(C(=O)NCCNCc2ccccc2[N+](=O)[O-])ccc1F ZINC001133157241 1284887987 /nfs/dbraw/zinc/88/79/87/1284887987.db2.gz FXBQHJMMWQYXBG-UHFFFAOYSA-N 0 1 331.347 2.562 20 5 EFBDMN Cc1nc([C@H](C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000813331814 1285815847 /nfs/dbraw/zinc/81/58/47/1285815847.db2.gz VOSLTLFYRHNIJL-VIFPVBQESA-N 0 1 344.400 2.996 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2nccs2)c1F ZINC001173174835 1286451246 /nfs/dbraw/zinc/45/12/46/1286451246.db2.gz DMKRWWSLSJOJAM-SECBINFHSA-N 0 1 325.365 2.920 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cc(C)n(C)n2)c1F ZINC001173176369 1286452603 /nfs/dbraw/zinc/45/26/03/1286452603.db2.gz GWBGUWRYNQCTRG-JTQLQIEISA-N 0 1 336.367 2.505 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ncccc2F)c1F ZINC001173176234 1286452782 /nfs/dbraw/zinc/45/27/82/1286452782.db2.gz GWKWMHFGPLUMTP-SNVBAGLBSA-N 0 1 337.326 2.997 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H](O)CC2)c1F ZINC001173178841 1286453563 /nfs/dbraw/zinc/45/35/63/1286453563.db2.gz BRPVHPGLYCFBFB-RYUDHWBXSA-N 0 1 326.368 2.520 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@H](O)CC2)c1F ZINC001173178425 1286453899 /nfs/dbraw/zinc/45/38/99/1286453899.db2.gz BRPVHPGLYCFBFB-NWDGAFQWSA-N 0 1 326.368 2.520 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@H](O)CC2)c1F ZINC001173178424 1286453929 /nfs/dbraw/zinc/45/39/29/1286453929.db2.gz BRPVHPGLYCFBFB-NEPJUHHUSA-N 0 1 326.368 2.520 20 5 EFBDMN CCn1cnc(CN[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173178816 1286453948 /nfs/dbraw/zinc/45/39/48/1286453948.db2.gz IOJWCAHINPBZIF-NSHDSACASA-N 0 1 336.367 2.680 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCC[C@@H](O)C2)c1F ZINC001173179606 1286454548 /nfs/dbraw/zinc/45/45/48/1286454548.db2.gz FUYZOZIMGMUZKK-NWDGAFQWSA-N 0 1 326.368 2.520 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)Nc2cccnc2CN)c1F ZINC001173184501 1286456090 /nfs/dbraw/zinc/45/60/90/1286456090.db2.gz QQJSDQYFFYWBIA-SNVBAGLBSA-N 0 1 334.351 2.639 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@]3(CCCO3)C2)c1F ZINC001173183456 1286456554 /nfs/dbraw/zinc/45/65/54/1286456554.db2.gz YIEQFVDEYIPEIV-SJCJKPOMSA-N 0 1 338.379 2.928 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ncccc2[O-])c1F ZINC001173190655 1286457916 /nfs/dbraw/zinc/45/79/16/1286457916.db2.gz FYUIYIRFWCLWBH-JTQLQIEISA-N 0 1 335.335 2.564 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2(c3cccnn3)CC2)c1F ZINC001173189991 1286458145 /nfs/dbraw/zinc/45/81/45/1286458145.db2.gz SPWQMBIIKOQKDC-LLVKDONJSA-N 0 1 346.362 2.742 20 5 EFBDMN COC[C@@H]1Cn2nccc2CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224140 1286477210 /nfs/dbraw/zinc/47/72/10/1286477210.db2.gz FFBGHXBOKMARPI-ZBFHGGJFSA-N 0 1 344.415 2.501 20 5 EFBDMN CCOC(=O)C1(F)CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225465 1286480768 /nfs/dbraw/zinc/48/07/68/1286480768.db2.gz CINJUXUKAOAQSJ-CYBMUJFWSA-N 0 1 338.379 2.893 20 5 EFBDMN CCOC(=O)C1(F)CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225466 1286481110 /nfs/dbraw/zinc/48/11/10/1286481110.db2.gz CINJUXUKAOAQSJ-ZDUSSCGKSA-N 0 1 338.379 2.893 20 5 EFBDMN CCCNC(=O)[C@@H]1CCCCN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226707 1286482147 /nfs/dbraw/zinc/48/21/47/1286482147.db2.gz KZHHBCWBKZGOQF-PBHICJAKSA-N 0 1 333.432 2.907 20 5 EFBDMN CCCNC(=O)[C@H]1CCCCN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226710 1286482265 /nfs/dbraw/zinc/48/22/65/1286482265.db2.gz KZHHBCWBKZGOQF-RHSMWYFYSA-N 0 1 333.432 2.907 20 5 EFBDMN Cc1cc(F)cc(C(=O)NCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001134246486 1286483748 /nfs/dbraw/zinc/48/37/48/1286483748.db2.gz ZFGKNTLOMYTBGP-UHFFFAOYSA-N 0 1 337.376 2.623 20 5 EFBDMN COc1cc2c(cn1)CCN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173238422 1286496618 /nfs/dbraw/zinc/49/66/18/1286496618.db2.gz SBOUTSCOVJDGGX-CYBMUJFWSA-N 0 1 327.384 2.988 20 5 EFBDMN Cc1ccccc1CCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001134298981 1286541466 /nfs/dbraw/zinc/54/14/66/1286541466.db2.gz TYXYEENHSADFRA-UHFFFAOYSA-N 0 1 341.411 2.742 20 5 EFBDMN CC(C)(C)c1nnc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC000814443286 1286594286 /nfs/dbraw/zinc/59/42/86/1286594286.db2.gz MXUIIJUMJFIQKJ-UHFFFAOYSA-N 0 1 343.343 2.849 20 5 EFBDMN CC(C)(C)c1nc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)n[nH]1 ZINC000814443286 1286594293 /nfs/dbraw/zinc/59/42/93/1286594293.db2.gz MXUIIJUMJFIQKJ-UHFFFAOYSA-N 0 1 343.343 2.849 20 5 EFBDMN CC(C)(C)c1nnc(COC(=O)CCOc2ccccc2[N+](=O)[O-])[nH]1 ZINC000814445834 1286636751 /nfs/dbraw/zinc/63/67/51/1286636751.db2.gz XBPRZVBBURWXIY-UHFFFAOYSA-N 0 1 348.359 2.523 20 5 EFBDMN CC(C)(C)c1nc(COC(=O)CCOc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000814445834 1286636757 /nfs/dbraw/zinc/63/67/57/1286636757.db2.gz XBPRZVBBURWXIY-UHFFFAOYSA-N 0 1 348.359 2.523 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)C[C@@H]1CCCN1C ZINC000817131890 1288432372 /nfs/dbraw/zinc/43/23/72/1288432372.db2.gz UDMLPXRYGGXXKA-JTQLQIEISA-N 0 1 341.795 2.565 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000817239661 1288482643 /nfs/dbraw/zinc/48/26/43/1288482643.db2.gz UUUFIKQXPBLNET-UHFFFAOYSA-N 0 1 332.360 2.984 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000817239661 1288482645 /nfs/dbraw/zinc/48/26/45/1288482645.db2.gz UUUFIKQXPBLNET-UHFFFAOYSA-N 0 1 332.360 2.984 20 5 EFBDMN CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000817348883 1288545476 /nfs/dbraw/zinc/54/54/76/1288545476.db2.gz UFJLBGFWLGBUKG-LLVKDONJSA-N 0 1 334.369 2.537 20 5 EFBDMN CN1CC[C@]2(CCC[N@H+]2Cc2ccc3ccc4cccnc4c3n2)C1=O ZINC001277648226 1312675632 /nfs/dbraw/zinc/67/56/32/1312675632.db2.gz HIEFYPUKFVFILC-OAQYLSRUSA-N 0 1 346.434 2.980 20 5 EFBDMN CN1CC[C@]2(CCCN2Cc2ccc3ccc4cccnc4c3n2)C1=O ZINC001277648226 1312675635 /nfs/dbraw/zinc/67/56/35/1312675635.db2.gz HIEFYPUKFVFILC-OAQYLSRUSA-N 0 1 346.434 2.980 20 5 EFBDMN CN(C)c1ccnc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC000753013765 1288892262 /nfs/dbraw/zinc/89/22/62/1288892262.db2.gz SWMKZJPCXADRJZ-UHFFFAOYSA-N 0 1 336.298 2.786 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000823955526 1289489257 /nfs/dbraw/zinc/48/92/57/1289489257.db2.gz GZOJBRZEFPEAAQ-IUCAKERBSA-N 0 1 347.379 2.691 20 5 EFBDMN Cc1[nH]ncc1CN(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000824056792 1289523906 /nfs/dbraw/zinc/52/39/06/1289523906.db2.gz LEOYSHTYWMBOAE-UHFFFAOYSA-N 0 1 340.742 2.620 20 5 EFBDMN Cc1c(CNCc2ccc3c(c2)CCS3(=O)=O)cccc1[N+](=O)[O-] ZINC000873076121 1289555528 /nfs/dbraw/zinc/55/55/28/1289555528.db2.gz WIPSIQVDWLGBSC-UHFFFAOYSA-N 0 1 346.408 2.523 20 5 EFBDMN CC(C)c1n[nH]c(COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000795554113 1290197145 /nfs/dbraw/zinc/19/71/45/1290197145.db2.gz BUSACMQPQCCABW-UHFFFAOYSA-N 0 1 338.751 2.776 20 5 EFBDMN CC(C)c1nc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000795554113 1290197148 /nfs/dbraw/zinc/19/71/48/1290197148.db2.gz BUSACMQPQCCABW-UHFFFAOYSA-N 0 1 338.751 2.776 20 5 EFBDMN O=C([N-]CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC000091594972 1290277155 /nfs/dbraw/zinc/27/71/55/1290277155.db2.gz AXSPDMVFCNMNRB-UHFFFAOYSA-N 0 1 345.321 2.628 20 5 EFBDMN O=C([N-]CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC000091594972 1290277161 /nfs/dbraw/zinc/27/71/61/1290277161.db2.gz AXSPDMVFCNMNRB-UHFFFAOYSA-N 0 1 345.321 2.628 20 5 EFBDMN Cc1[nH]nc2cc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc12 ZINC000091827029 1290470986 /nfs/dbraw/zinc/47/09/86/1290470986.db2.gz RXHUBJUYWJADFO-UHFFFAOYSA-N 0 1 341.283 2.940 20 5 EFBDMN Cc1ccc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c(O)c1 ZINC000092258443 1290671028 /nfs/dbraw/zinc/67/10/28/1290671028.db2.gz DTZPZUREOHCRRI-UHFFFAOYSA-N 0 1 340.332 2.857 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000877486414 1291245396 /nfs/dbraw/zinc/24/53/96/1291245396.db2.gz MHZHYMHBMKILTJ-JOQOYGCGSA-N 0 1 334.416 2.980 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H](C)OC2(CCOCC2)C1 ZINC000877485737 1291246222 /nfs/dbraw/zinc/24/62/22/1291246222.db2.gz FBPFBMWULCKSRP-AWEZNQCLSA-N 0 1 334.416 2.982 20 5 EFBDMN CONC(=O)C1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000877787486 1291381586 /nfs/dbraw/zinc/38/15/86/1291381586.db2.gz NDRBTJJCPXVQFK-UHFFFAOYSA-N 0 1 335.404 2.608 20 5 EFBDMN CCN1C[C@@H](C)N(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878326868 1291626111 /nfs/dbraw/zinc/62/61/11/1291626111.db2.gz BCVJRLKRVVQSPI-CHWSQXEVSA-N 0 1 345.403 2.559 20 5 EFBDMN Cc1cc(N2CC[C@@H](N)C(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001166962611 1312872748 /nfs/dbraw/zinc/87/27/48/1312872748.db2.gz YVSNMNAQEFILIT-CYBMUJFWSA-N 0 1 349.341 2.533 20 5 EFBDMN N[C@H]1CCN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1(F)F ZINC001166960101 1312872175 /nfs/dbraw/zinc/87/21/75/1312872175.db2.gz GXOCIEVYWXVHQA-LBPRGKRZSA-N 0 1 342.733 2.969 20 5 EFBDMN Cc1cc(N2CC[C@H](N)C(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001166962613 1312872876 /nfs/dbraw/zinc/87/28/76/1312872876.db2.gz YVSNMNAQEFILIT-ZDUSSCGKSA-N 0 1 349.341 2.533 20 5 EFBDMN Cn1cc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c(-c2ccccc2)n1 ZINC000775284835 1291797397 /nfs/dbraw/zinc/79/73/97/1291797397.db2.gz AYIVKCFZOZMDBV-UHFFFAOYSA-N 0 1 326.312 2.680 20 5 EFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766212 1292263354 /nfs/dbraw/zinc/26/33/54/1292263354.db2.gz VUAIBFUCHNMOFK-YGRLFVJLSA-N 0 1 345.321 2.799 20 5 EFBDMN C[C@@H](O)CCCC(=O)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC001233501004 1312944548 /nfs/dbraw/zinc/94/45/48/1312944548.db2.gz WPKYEHWMGVBHPC-SSDOTTSWSA-N 0 1 327.724 2.581 20 5 EFBDMN Cc1occc1C(=O)NCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001233740830 1312982570 /nfs/dbraw/zinc/98/25/70/1312982570.db2.gz OKGYYBFCQBTQEN-UHFFFAOYSA-N 0 1 331.372 2.748 20 5 EFBDMN Cc1nn(C)c(N2CCN([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000882811653 1293333732 /nfs/dbraw/zinc/33/37/32/1293333732.db2.gz BSQRXRSPBMFEOB-CQSZACIVSA-N 0 1 329.404 2.520 20 5 EFBDMN COC(=O)c1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000883343870 1293552753 /nfs/dbraw/zinc/55/27/53/1293552753.db2.gz CQOMYOIUMIBICC-LLVKDONJSA-N 0 1 331.372 2.879 20 5 EFBDMN CCc1ncc(S(=O)(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)s1 ZINC000800052315 1293896690 /nfs/dbraw/zinc/89/66/90/1293896690.db2.gz PWWODSDGLWVUOC-UHFFFAOYSA-N 0 1 345.377 2.862 20 5 EFBDMN CN1[C@@H]2C[C@@H](Oc3ccnc4c3ccc3cccnc34)[C@H]1CC(=O)C2 ZINC001234087348 1313055026 /nfs/dbraw/zinc/05/50/26/1313055026.db2.gz NRDFKKJRBXOEHM-FDQGKXFDSA-N 0 1 333.391 2.966 20 5 EFBDMN O=C(OCc1cccnc1[N+](=O)[O-])[C@H]1CCCCN1C1CCCC1 ZINC000884526071 1294168771 /nfs/dbraw/zinc/16/87/71/1294168771.db2.gz KTJODCVEZBCAPF-OAHLLOKOSA-N 0 1 333.388 2.830 20 5 EFBDMN CN(CCCNC(=O)c1ccccc1O)Cc1ccccc1[N+](=O)[O-] ZINC001234099960 1313057305 /nfs/dbraw/zinc/05/73/05/1313057305.db2.gz UCZOPVWMVMCOPV-UHFFFAOYSA-N 0 1 343.383 2.552 20 5 EFBDMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cccnc2[N+](=O)[O-])C1 ZINC000885967345 1294596622 /nfs/dbraw/zinc/59/66/22/1294596622.db2.gz MNISESHJEOZXQO-DZGCQCFKSA-N 0 1 334.420 2.507 20 5 EFBDMN CCN(CC)C(=O)CCC1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886122454 1294713888 /nfs/dbraw/zinc/71/38/88/1294713888.db2.gz BGYPZTDFRBKVBF-UHFFFAOYSA-N 0 1 348.447 2.850 20 5 EFBDMN O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000886212940 1294765137 /nfs/dbraw/zinc/76/51/37/1294765137.db2.gz IMFVAXDLNHCPLZ-LJQANCHMSA-N 0 1 341.411 2.807 20 5 EFBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000886212940 1294765146 /nfs/dbraw/zinc/76/51/46/1294765146.db2.gz IMFVAXDLNHCPLZ-LJQANCHMSA-N 0 1 341.411 2.807 20 5 EFBDMN C[C@H](c1ccccc1)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886315330 1294847299 /nfs/dbraw/zinc/84/72/99/1294847299.db2.gz GRQYUMVOUNGLRL-OAHLLOKOSA-N 0 1 326.400 2.869 20 5 EFBDMN O=C(CC(C1CC1)C1CC1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001152547524 1295434125 /nfs/dbraw/zinc/43/41/25/1295434125.db2.gz QKUCWOSXXJRMHI-UHFFFAOYSA-N 0 1 337.445 2.688 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000925235985 1296813489 /nfs/dbraw/zinc/81/34/89/1296813489.db2.gz JMFVRHBFSHYPOD-BFHYXJOUSA-N 0 1 334.420 2.780 20 5 EFBDMN Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000903940669 1313453545 /nfs/dbraw/zinc/45/35/45/1313453545.db2.gz ILKNAKSZWZLVLV-XIRDDKMYSA-N 0 1 348.399 2.747 20 5 EFBDMN Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000903940666 1313453644 /nfs/dbraw/zinc/45/36/44/1313453644.db2.gz ILKNAKSZWZLVLV-BHYGNILZSA-N 0 1 348.399 2.747 20 5 EFBDMN Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000903940667 1313453696 /nfs/dbraw/zinc/45/36/96/1313453696.db2.gz ILKNAKSZWZLVLV-UAGQMJEPSA-N 0 1 348.399 2.747 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903953300 1313477147 /nfs/dbraw/zinc/47/71/47/1313477147.db2.gz QQXACSOBCXHXLE-XSUJLISDSA-N 0 1 336.388 2.923 20 5 EFBDMN CN(CCN(C)C(=O)OC(C)(C)C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000779596886 1298372180 /nfs/dbraw/zinc/37/21/80/1298372180.db2.gz OFVCSNUZYUSAKZ-UHFFFAOYSA-N 0 1 339.392 2.599 20 5 EFBDMN Cc1nc2sccn2c1CN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590880 1299672745 /nfs/dbraw/zinc/67/27/45/1299672745.db2.gz JVOMRYLZDUAMIF-OAHLLOKOSA-N 0 1 346.412 2.778 20 5 EFBDMN COc1ccc2c(c1)CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852550986 1299752908 /nfs/dbraw/zinc/75/29/08/1299752908.db2.gz NGCHGLQPEOEWEO-GOSISDBHSA-N 0 1 328.368 2.695 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(N2CCOC2=O)CC1 ZINC000852721929 1299831526 /nfs/dbraw/zinc/83/15/26/1299831526.db2.gz YLFXESGQJPLUSF-CYBMUJFWSA-N 0 1 333.388 2.881 20 5 EFBDMN CCC(CC)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])N1CCOCC1 ZINC000853134788 1300020962 /nfs/dbraw/zinc/02/09/62/1300020962.db2.gz OJFOCBRYRSCVLO-KRWDZBQOSA-N 0 1 336.436 2.726 20 5 EFBDMN CN(C[C@@H]1CC1(C)C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000853627418 1300199109 /nfs/dbraw/zinc/19/91/09/1300199109.db2.gz BTNCYEXNOJYHBY-ZDUSSCGKSA-N 0 1 332.404 2.772 20 5 EFBDMN C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C[C@@H]1NC(=O)C(F)(F)F ZINC000853989819 1300379045 /nfs/dbraw/zinc/37/90/45/1300379045.db2.gz SJTWIJDYGGCJJQ-SFYZADRCSA-N 0 1 337.323 2.550 20 5 EFBDMN COC(=O)NC1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000853992349 1300380516 /nfs/dbraw/zinc/38/05/16/1300380516.db2.gz MNEINPJHPBCQJP-UHFFFAOYSA-N 0 1 344.371 2.776 20 5 EFBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1nc[nH]c1C(F)(F)F ZINC000854417415 1300559027 /nfs/dbraw/zinc/55/90/27/1300559027.db2.gz YFVJGNVAYQVSDN-UHFFFAOYSA-N 0 1 342.277 2.651 20 5 EFBDMN C[C@H]1CCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C[C@H]1C ZINC000245719124 1300745953 /nfs/dbraw/zinc/74/59/53/1300745953.db2.gz HDVSYVRZQBYIKB-UONOGXRCSA-N 0 1 332.404 2.772 20 5 EFBDMN C[C@H](O)c1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1F ZINC000795380246 1300875744 /nfs/dbraw/zinc/87/57/44/1300875744.db2.gz IJGICIWKZQWZRA-ZETCQYMHSA-N 0 1 346.361 2.650 20 5 EFBDMN CC(C)c1n[nH]c(COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC000795478651 1302206055 /nfs/dbraw/zinc/20/60/55/1302206055.db2.gz FHHYOUYDCHWSIA-UHFFFAOYSA-N 0 1 341.327 2.742 20 5 EFBDMN CC(C)c1nc(COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n[nH]1 ZINC000795478651 1302206062 /nfs/dbraw/zinc/20/60/62/1302206062.db2.gz FHHYOUYDCHWSIA-UHFFFAOYSA-N 0 1 341.327 2.742 20 5 EFBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(F)c(Br)cc1F ZINC000862636675 1302430104 /nfs/dbraw/zinc/43/01/04/1302430104.db2.gz FHCKHYVCEINKEL-AODONOJDSA-N 0 1 349.131 2.570 20 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/nfs/dbraw/zinc/02/39/56/1304023956.db2.gz XOKLVKNCIOWFAZ-OAHLLOKOSA-N 0 1 339.461 2.807 20 5 EFBDMN C[C@](N)(C(=O)N[C@H]1CCc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000867941841 1304029593 /nfs/dbraw/zinc/02/95/93/1304029593.db2.gz KHVVIHWIWTTYQT-FUHWJXTLSA-N 0 1 343.358 2.712 20 5 EFBDMN C[C@@H](CCc1ccccc1)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867943319 1304030935 /nfs/dbraw/zinc/03/09/35/1304030935.db2.gz RGJPUUCNDVHSQB-LIRRHRJNSA-N 0 1 341.411 2.906 20 5 EFBDMN Cc1ccc(C[C@@H](C)NC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)s1 ZINC000867944829 1304032143 /nfs/dbraw/zinc/03/21/43/1304032143.db2.gz JKIVYXBJDILDPB-DIFFPNOSSA-N 0 1 347.440 2.886 20 5 EFBDMN CC[C@@H](Cc1ccccc1)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867945740 1304034212 /nfs/dbraw/zinc/03/42/12/1304034212.db2.gz HVZRAHJPOHPMLS-LPHOPBHVSA-N 0 1 341.411 2.906 20 5 EFBDMN Cc1ccc(CCNC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000867946501 1304034373 /nfs/dbraw/zinc/03/43/73/1304034373.db2.gz RXUIJVLNYFKNEZ-IBGZPJMESA-N 0 1 341.411 2.744 20 5 EFBDMN Cc1cccc([C@H](C)CNC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)c1 ZINC000867948068 1304035047 /nfs/dbraw/zinc/03/50/47/1304035047.db2.gz XOYHRASALGNCMZ-AUUYWEPGSA-N 0 1 341.411 2.997 20 5 EFBDMN Cc1cccc([C@@H](C)CNC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)c1 ZINC000867948071 1304035651 /nfs/dbraw/zinc/03/56/51/1304035651.db2.gz XOYHRASALGNCMZ-LIRRHRJNSA-N 0 1 341.411 2.997 20 5 EFBDMN Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867948201 1304036189 /nfs/dbraw/zinc/03/61/89/1304036189.db2.gz ZTRJALVUZRGDBV-MJGOQNOKSA-N 0 1 339.395 2.881 20 5 EFBDMN C[C@](N)(C(=O)N[C@H]1C[C@]1(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867948591 1304036692 /nfs/dbraw/zinc/03/66/92/1304036692.db2.gz ZGPZEPSWAMPWLW-QXAKKESOSA-N 0 1 339.395 2.615 20 5 EFBDMN C[C@H](CNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000867948659 1304036999 /nfs/dbraw/zinc/03/69/99/1304036999.db2.gz AUBSYUCRWVRPAV-SJCJKPOMSA-N 0 1 347.440 2.825 20 5 EFBDMN Cc1cccc2c1CC[C@H]2NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867951820 1304039802 /nfs/dbraw/zinc/03/98/02/1304039802.db2.gz QXQONRKDQRAUPU-MJGOQNOKSA-N 0 1 339.395 2.881 20 5 EFBDMN CS[C@@H]1CCC[C@@H](NC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000867953133 1304041169 /nfs/dbraw/zinc/04/11/69/1304041169.db2.gz NRTQUVVWLKHZOF-XPKDYRNWSA-N 0 1 337.445 2.559 20 5 EFBDMN CS[C@@H]1CCC[C@H](NC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000867953130 1304041190 /nfs/dbraw/zinc/04/11/90/1304041190.db2.gz NRTQUVVWLKHZOF-BJJXKVORSA-N 0 1 337.445 2.559 20 5 EFBDMN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867956800 1304042948 /nfs/dbraw/zinc/04/29/48/1304042948.db2.gz UFYOVFSNIMUQSF-SQWLQELKSA-N 0 1 337.445 2.559 20 5 EFBDMN CC1(NC(=O)c2ccco2)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045347199 1307262859 /nfs/dbraw/zinc/26/28/59/1307262859.db2.gz UZBWNABPWUOLHE-UHFFFAOYSA-N 0 1 343.383 2.972 20 5 EFBDMN 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ZINC001337704556 1331593441 /nfs/dbraw/zinc/59/34/41/1331593441.db2.gz SWDUWPVRUCVHHY-UHFFFAOYSA-N 0 1 344.371 2.500 20 5 EFBDMN O=C(CSc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccco2)n[nH]1 ZINC001339145801 1331802416 /nfs/dbraw/zinc/80/24/16/1331802416.db2.gz CESJRKXXRUJJDL-UHFFFAOYSA-N 0 1 345.340 2.704 20 5 EFBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3n1CCN[C@H]3C)CC2 ZINC001340427315 1332193002 /nfs/dbraw/zinc/19/30/02/1332193002.db2.gz DJUCJSORFRRWJB-LBPRGKRZSA-N 0 1 340.383 2.572 20 5 EFBDMN CS[C@@H]1CC[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001340801278 1332206548 /nfs/dbraw/zinc/20/65/48/1332206548.db2.gz MSILIARIKNQLGB-LSDHHAIUSA-N 0 1 337.445 2.774 20 5 EFBDMN C[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)CN1CCOCC1 ZINC001349978708 1333021269 /nfs/dbraw/zinc/02/12/69/1333021269.db2.gz BYNRLOYOPBWTGV-CYBMUJFWSA-N 0 1 330.388 2.523 20 5 EFBDMN C[C@@H]1c2ccc(Cl)n2CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000848088704 1334275441 /nfs/dbraw/zinc/27/54/41/1334275441.db2.gz DBAGDDVUCCJHKL-SECBINFHSA-N 0 1 335.747 2.972 20 5 EFBDMN CN(C[C@H]1CCCOC1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848479060 1334737136 /nfs/dbraw/zinc/73/71/36/1334737136.db2.gz ZMIJNZLDSKZQJZ-CQSZACIVSA-N 0 1 330.388 2.774 20 5 EFBDMN CCOC[C@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848480519 1334738289 /nfs/dbraw/zinc/73/82/89/1334738289.db2.gz OCAKPYHFEAEAMM-AWEZNQCLSA-N 0 1 330.388 2.774 20 5 EFBDMN COC1(C)CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848483422 1334739457 /nfs/dbraw/zinc/73/94/57/1334739457.db2.gz FZRZYRYMCOOKMZ-UHFFFAOYSA-N 0 1 330.388 2.917 20 5 EFBDMN CO[C@]1(C)CCCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487230 1334743198 /nfs/dbraw/zinc/74/31/98/1334743198.db2.gz POOVZIUBTGQPFZ-QGZVFWFLSA-N 0 1 330.388 2.917 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000848489625 1334746286 /nfs/dbraw/zinc/74/62/86/1334746286.db2.gz PUEKYLBAOYSDCS-DYVFJYSZSA-N 0 1 328.372 2.527 20 5 EFBDMN O=[N+]([O-])c1ccc2nc(NCc3n[nH]c([C@@H]4CCCO4)n3)sc2c1 ZINC000848750207 1334874027 /nfs/dbraw/zinc/87/40/27/1334874027.db2.gz URVNWQSONJUGBK-JTQLQIEISA-N 0 1 346.372 2.786 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](N3CCOCC3)CC2)c(Cl)c1 ZINC000848793550 1334901789 /nfs/dbraw/zinc/90/17/89/1334901789.db2.gz LTEREOATVMJNTA-ZDUSSCGKSA-N 0 1 339.823 2.939 20 5 EFBDMN CC(C)=C(C)CC(=O)N(C)CCNCc1csc([N+](=O)[O-])c1 ZINC001753220143 1426328112 /nfs/dbraw/zinc/32/81/12/1426328112.db2.gz DZMWMYBLWMMHDV-UHFFFAOYSA-N 0 1 325.434 2.951 20 5 EFBDMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000820426660 1426339767 /nfs/dbraw/zinc/33/97/67/1426339767.db2.gz MCNMRWILWQSLPE-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824606913 1427889105 /nfs/dbraw/zinc/88/91/05/1427889105.db2.gz SPJJZHVFUBKGKU-GFCCVEGCSA-N 0 1 338.371 2.668 20 5 EFBDMN C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000824626701 1441703901 /nfs/dbraw/zinc/70/39/01/1441703901.db2.gz RXDRNBKEWLXCMP-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824607487 1450451299 /nfs/dbraw/zinc/45/12/99/1450451299.db2.gz ZBTGVGQLHZYSBH-GFCCVEGCSA-N 0 1 338.371 2.668 20 5 EFBDMN Cc1cocc1C(=O)N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001020473941 713051969 /nfs/dbraw/zinc/05/19/69/713051969.db2.gz HADAIQSVCBCZOD-HAQNSBGRSA-N 0 1 335.385 2.608 20 5 EFBDMN Cc1occc1C(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001021816005 714514504 /nfs/dbraw/zinc/51/45/04/714514504.db2.gz ZVFIONUKCLGKRM-TXEJJXNPSA-N 0 1 335.385 2.608 20 5 EFBDMN Cc1ccoc1C(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001021837587 714552044 /nfs/dbraw/zinc/55/20/44/714552044.db2.gz RDVKAXDVUJMOGR-TXEJJXNPSA-N 0 1 335.385 2.608 20 5 EFBDMN Cc1cc(C)c(C(=O)N[C@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C2)o1 ZINC001021936080 714605071 /nfs/dbraw/zinc/60/50/71/714605071.db2.gz HDPRLKXJUCSBJD-BETUJISGSA-N 0 1 349.412 2.917 20 5 EFBDMN CCc1occc1C(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001022029043 714664408 /nfs/dbraw/zinc/66/44/08/714664408.db2.gz OPKCFEZJHFCGJY-TXEJJXNPSA-N 0 1 349.412 2.862 20 5 EFBDMN CC(C)CN1CCO[C@H](COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255382915 714922305 /nfs/dbraw/zinc/92/23/05/714922305.db2.gz RILQHCINUHLDAO-AFCDSYGPSA-N 0 1 348.399 2.508 20 5 EFBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)C1(F)CCCC1 ZINC001022334634 715020637 /nfs/dbraw/zinc/02/06/37/715020637.db2.gz TUBWTWJCSBFMQR-TXEJJXNPSA-N 0 1 341.408 2.675 20 5 EFBDMN CCC(CC)NC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000934043257 715180308 /nfs/dbraw/zinc/18/03/08/715180308.db2.gz IIXKFFMXNKQLDB-UHFFFAOYSA-N 0 1 349.435 2.657 20 5 EFBDMN CCc1ccoc1C(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001022656812 715277310 /nfs/dbraw/zinc/27/73/10/715277310.db2.gz SHBVGOCERMEWGO-BETUJISGSA-N 0 1 349.412 2.862 20 5 EFBDMN Cc1cc(C(=O)N[C@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C2)c(C)[nH]1 ZINC001022779008 715644946 /nfs/dbraw/zinc/64/49/46/715644946.db2.gz AIJYEPVTCJDNDR-BETUJISGSA-N 0 1 348.428 2.652 20 5 EFBDMN COc1c(O)ccc(CNCCOc2ccccc2C)c1[N+](=O)[O-] ZINC000892651330 718377229 /nfs/dbraw/zinc/37/72/29/718377229.db2.gz WHVYVEWGCVUMFN-UHFFFAOYSA-N 0 1 332.356 2.786 20 5 EFBDMN CC(C)(F)C(=O)N1CC2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981574373 718821625 /nfs/dbraw/zinc/82/16/25/718821625.db2.gz ASHYLGRVHNJKQW-UHFFFAOYSA-N 0 1 349.406 2.767 20 5 EFBDMN O=C(CC1CC1)N1CC2(C1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000981581038 718845184 /nfs/dbraw/zinc/84/51/84/718845184.db2.gz XQVYUSRECSWTGP-UHFFFAOYSA-N 0 1 343.427 2.819 20 5 EFBDMN CCCC(=O)N1CC2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981585180 718849507 /nfs/dbraw/zinc/84/95/07/718849507.db2.gz PROJSIBLWGRJBI-UHFFFAOYSA-N 0 1 331.416 2.819 20 5 EFBDMN Cc1nc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000840578580 718883666 /nfs/dbraw/zinc/88/36/66/718883666.db2.gz BSVJMDNPFXQGSW-ZCFIWIBFSA-N 0 1 344.249 2.958 20 5 EFBDMN C[C@@H]1CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)[C@@H](C)CN1C ZINC001164643541 719233742 /nfs/dbraw/zinc/23/37/42/719233742.db2.gz ZEBMVSRSDNQFDK-OLZOCXBDSA-N 0 1 327.388 2.581 20 5 EFBDMN CC(C)CN1CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001164652643 719331333 /nfs/dbraw/zinc/33/13/33/719331333.db2.gz NYOCVXXFXUSMOE-UHFFFAOYSA-N 0 1 348.781 2.966 20 5 EFBDMN CSc1nc(Cl)nc(N2CCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC001164655012 719333800 /nfs/dbraw/zinc/33/38/00/719333800.db2.gz YSJCMKHFBVEPHC-UHFFFAOYSA-N 0 1 345.856 2.538 20 5 EFBDMN CC1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)CCCC1 ZINC001025931046 719548034 /nfs/dbraw/zinc/54/80/34/719548034.db2.gz JKZMBQVWGZWLLQ-FVQHAEBGSA-N 0 1 343.427 2.722 20 5 EFBDMN CCC(=O)N1C[C@]2(C)C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000982178191 719630597 /nfs/dbraw/zinc/63/05/97/719630597.db2.gz BSXHWNWCHQFZHN-HDICACEKSA-N 0 1 331.416 2.675 20 5 EFBDMN CCC(=O)N1C[C@@]2(C)CN(Cc3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000982178191 719630600 /nfs/dbraw/zinc/63/06/00/719630600.db2.gz BSXHWNWCHQFZHN-HDICACEKSA-N 0 1 331.416 2.675 20 5 EFBDMN CC(C)C(=O)N1C[C@@]2(C)CN(Cc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982212316 719667842 /nfs/dbraw/zinc/66/78/42/719667842.db2.gz VENNGBGYNWQIII-KDURUIRLSA-N 0 1 345.443 2.921 20 5 EFBDMN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164721409 720334206 /nfs/dbraw/zinc/33/42/06/720334206.db2.gz BYQMKXOABCVMSD-DLBZAZTESA-N 0 1 339.399 2.546 20 5 EFBDMN O=C(OCc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672510 721978139 /nfs/dbraw/zinc/97/81/39/721978139.db2.gz AMCZOQOQLPEWTC-RDDDGLTNSA-N 0 1 340.307 2.797 20 5 EFBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000840672694 722056335 /nfs/dbraw/zinc/05/63/35/722056335.db2.gz OOYKWBYYUFIMHV-LERXQTSPSA-N 0 1 334.372 2.520 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H](CO)CC(F)F ZINC000894566490 722784432 /nfs/dbraw/zinc/78/44/32/722784432.db2.gz KWBSWXCQJAVOME-VIFPVBQESA-N 0 1 328.237 2.719 20 5 EFBDMN COc1c(O)ccc(CN2CCC[C@@](CO)(C(C)C)C2)c1[N+](=O)[O-] ZINC000894645390 722807322 /nfs/dbraw/zinc/80/73/22/722807322.db2.gz LQAGSWCSJZGLJQ-QGZVFWFLSA-N 0 1 338.404 2.540 20 5 EFBDMN CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000896509804 723322031 /nfs/dbraw/zinc/32/20/31/723322031.db2.gz YJHWLPRUVJBQST-MRXNPFEDSA-N 0 1 333.432 2.907 20 5 EFBDMN CC(C)(C)N1CC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000896509804 723322033 /nfs/dbraw/zinc/32/20/33/723322033.db2.gz YJHWLPRUVJBQST-MRXNPFEDSA-N 0 1 333.432 2.907 20 5 EFBDMN CC(C)(C)N1CC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000896956539 723912784 /nfs/dbraw/zinc/91/27/84/723912784.db2.gz ONZLYDINGONPTC-CYBMUJFWSA-N 0 1 325.796 2.737 20 5 EFBDMN C[C@H](Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895248378 723936805 /nfs/dbraw/zinc/93/68/05/723936805.db2.gz KSXIYKDLWUVFRY-CABZTGNLSA-N 0 1 347.246 2.948 20 5 EFBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(F)F)[C@@H]1CN(C)CCN1C ZINC000895246746 723941257 /nfs/dbraw/zinc/94/12/57/723941257.db2.gz DFEBBZGUMGTMBD-YGRLFVJLSA-N 0 1 328.363 2.579 20 5 EFBDMN COCc1csc(CNCc2ccc(O)c(OC)c2[N+](=O)[O-])c1 ZINC000895377053 724087459 /nfs/dbraw/zinc/08/74/59/724087459.db2.gz IYBQXNNVBPZXFT-UHFFFAOYSA-N 0 1 338.385 2.807 20 5 EFBDMN CCO/C=C\[C@](O)(CNCc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000895707716 724266781 /nfs/dbraw/zinc/26/67/81/724266781.db2.gz MPNYELFYVFEUOG-AFNCTOJWSA-N 0 1 348.321 2.836 20 5 EFBDMN CCO/C=C\[C@](O)(CNCc1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000895715981 724275559 /nfs/dbraw/zinc/27/55/59/724275559.db2.gz FSFKABLWPKQJJU-DANTVBBOSA-N 0 1 348.321 2.836 20 5 EFBDMN CC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000031555907 726254771 /nfs/dbraw/zinc/25/47/71/726254771.db2.gz HGKUELGXMLQKBY-UHFFFAOYSA-N 0 1 334.353 2.907 20 5 EFBDMN Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000152999983 726371661 /nfs/dbraw/zinc/37/16/61/726371661.db2.gz SLSBZQSHMZFEOW-UHFFFAOYSA-N 0 1 345.739 2.892 20 5 EFBDMN COCCN1CCC(Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731209188 726822955 /nfs/dbraw/zinc/82/29/55/726822955.db2.gz MGTWUMDBICQXCY-UHFFFAOYSA-N 0 1 336.417 2.727 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCN(C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000915223974 726904896 /nfs/dbraw/zinc/90/48/96/726904896.db2.gz VHCGZGPQJJVEML-AWEZNQCLSA-N 0 1 339.823 2.545 20 5 EFBDMN O=C(COC(=O)c1cc(-c2ccco2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000731703196 726920086 /nfs/dbraw/zinc/92/00/86/726920086.db2.gz LMONIKLATVRLRM-UHFFFAOYSA-N 0 1 341.279 2.618 20 5 EFBDMN CC1=CCN(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000907385047 726926262 /nfs/dbraw/zinc/92/62/62/726926262.db2.gz BWDYZNCGWZFWNE-UHFFFAOYSA-N 0 1 341.770 2.769 20 5 EFBDMN Nc1ccc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000731873601 726947233 /nfs/dbraw/zinc/94/72/33/726947233.db2.gz AMSVPVGGVJHWGS-UHFFFAOYSA-N 0 1 345.746 2.637 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)c1ccc(F)cc1F ZINC000915355189 726958264 /nfs/dbraw/zinc/95/82/64/726958264.db2.gz IWOTVVODNVFRAH-HNNXBMFYSA-N 0 1 338.310 2.705 20 5 EFBDMN Cc1n[nH]c(C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000732560813 727154632 /nfs/dbraw/zinc/15/46/32/727154632.db2.gz OOHQBKWTBNZYFQ-ZETCQYMHSA-N 0 1 348.750 2.647 20 5 EFBDMN COc1cccc(C(=O)N2CCN(C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908570541 727217717 /nfs/dbraw/zinc/21/77/17/727217717.db2.gz HKNYALRYDJBMGF-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908571521 727218026 /nfs/dbraw/zinc/21/80/26/727218026.db2.gz WOITVPAHPBCBQE-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC12CCCCC2 ZINC000908577129 727220251 /nfs/dbraw/zinc/22/02/51/727220251.db2.gz QQDXWUMTJGOYNT-UHFFFAOYSA-N 0 1 335.379 2.824 20 5 EFBDMN C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000910346689 727432819 /nfs/dbraw/zinc/43/28/19/727432819.db2.gz SUAHSWSUSWWDKO-QWHCGFSZSA-N 0 1 335.404 2.754 20 5 EFBDMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000929922716 727668243 /nfs/dbraw/zinc/66/82/43/727668243.db2.gz KJGJWYNERGRLRR-UONOGXRCSA-N 0 1 327.425 2.517 20 5 EFBDMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000929922718 727668607 /nfs/dbraw/zinc/66/86/07/727668607.db2.gz KJGJWYNERGRLRR-ZIAGYGMSSA-N 0 1 327.425 2.517 20 5 EFBDMN O=C(CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000916570749 727697267 /nfs/dbraw/zinc/69/72/67/727697267.db2.gz RSSJLGXZBSJFJS-HNNXBMFYSA-N 0 1 349.774 2.510 20 5 EFBDMN COc1ccc(CN2CCC(C(=O)NCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000917010146 727754501 /nfs/dbraw/zinc/75/45/01/727754501.db2.gz QZYKZMQXAIOQIC-UHFFFAOYSA-N 0 1 349.431 2.588 20 5 EFBDMN Cc1c(CNCc2cccc(C(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000917134967 727775464 /nfs/dbraw/zinc/77/54/64/727775464.db2.gz FOTKFSZMQNFJLC-UHFFFAOYSA-N 0 1 327.384 2.895 20 5 EFBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000221852302 727897982 /nfs/dbraw/zinc/89/79/82/727897982.db2.gz ZLBSEOMBVBKJKJ-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN O=C(Nc1nnc(C(F)F)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000170796776 728480323 /nfs/dbraw/zinc/48/03/23/728480323.db2.gz IKCOFOQBYALQBU-UHFFFAOYSA-N 0 1 336.226 2.914 20 5 EFBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154959838 729016269 /nfs/dbraw/zinc/01/62/69/729016269.db2.gz UJNWZGMWWHIOQH-UHFFFAOYSA-N 0 1 344.718 2.681 20 5 EFBDMN O=[N+]([O-])CCN(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000930081386 729037535 /nfs/dbraw/zinc/03/75/35/729037535.db2.gz LUZGWWCGTWKESD-IBGZPJMESA-N 0 1 326.396 2.599 20 5 EFBDMN Cc1nc2ccccc2n1CCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000920792456 729231340 /nfs/dbraw/zinc/23/13/40/729231340.db2.gz VLYKKBGLRMHSAH-UHFFFAOYSA-N 0 1 328.328 2.828 20 5 EFBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179643185 729602763 /nfs/dbraw/zinc/60/27/63/729602763.db2.gz SVYXNGDQXVKRMO-UHFFFAOYSA-N 0 1 337.313 2.612 20 5 EFBDMN C[C@@H](NCC(=O)Nc1cccnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180447633 729742381 /nfs/dbraw/zinc/74/23/81/729742381.db2.gz FDUGOXNHCXKUCW-SNVBAGLBSA-N 0 1 334.763 2.933 20 5 EFBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162335545 949390105 /nfs/dbraw/zinc/39/01/05/949390105.db2.gz RQLOBSFWMXPJFZ-SNVBAGLBSA-N 0 1 331.166 2.652 20 5 EFBDMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000236440504 949905082 /nfs/dbraw/zinc/90/50/82/949905082.db2.gz FIKDZCQRQQYBDA-LLVKDONJSA-N 0 1 343.177 2.796 20 5 EFBDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001589280294 953495081 /nfs/dbraw/zinc/49/50/81/953495081.db2.gz CIBBAIWLUQYALD-WCQYABFASA-N 0 1 345.355 2.792 20 5 EFBDMN C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000162336569 959209775 /nfs/dbraw/zinc/20/97/75/959209775.db2.gz APXVEAOCSJGLSP-UHFFFAOYSA-N 0 1 331.166 2.652 20 5 EFBDMN CC[N@H+](CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1Br ZINC000233456495 960321908 /nfs/dbraw/zinc/32/19/08/960321908.db2.gz CZXFRYBZXHBVQQ-UHFFFAOYSA-N 0 1 331.166 2.654 20 5 EFBDMN CC[N@@H+](CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1Br ZINC000233456495 960321918 /nfs/dbraw/zinc/32/19/18/960321918.db2.gz CZXFRYBZXHBVQQ-UHFFFAOYSA-N 0 1 331.166 2.654 20 5 EFBDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000235639078 960471091 /nfs/dbraw/zinc/47/10/91/960471091.db2.gz OWTHVYFQUKDKQA-WCBMZHEXSA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@](CC(=O)[O-])([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccnc1 ZINC001592320172 977714983 /nfs/dbraw/zinc/71/49/83/977714983.db2.gz XLQSUQGIAWPZQX-MRXNPFEDSA-N 0 1 333.319 2.609 20 5 EFBDMN Cc1c(C[N@H+]2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000903942249 981064690 /nfs/dbraw/zinc/06/46/90/981064690.db2.gz BDYNVVGLYDAEIM-RRQGHBQHSA-N 0 1 348.399 2.747 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]([C@@H]2CCCO2)C1 ZINC000903942661 981065681 /nfs/dbraw/zinc/06/56/81/981065681.db2.gz FDMBLNZFBJFIQO-AGIUHOORSA-N 0 1 340.401 2.501 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]([C@@H]2CCCO2)C1 ZINC000903942661 981065686 /nfs/dbraw/zinc/06/56/86/981065686.db2.gz FDMBLNZFBJFIQO-AGIUHOORSA-N 0 1 340.401 2.501 20 5 EFBDMN C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001599902358 984861525 /nfs/dbraw/zinc/86/15/25/984861525.db2.gz ZDTSFEZMXPQBOY-NSHDSACASA-N 0 1 343.339 2.582 20 5 EFBDMN C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(C(=O)[O-])cc1 ZINC001598499670 992416547 /nfs/dbraw/zinc/41/65/47/992416547.db2.gz QHCFBSONUQSFAC-UHFFFAOYSA-N 0 1 330.340 2.804 20 5 EFBDMN C[N@@H+](Cc1ccccc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598530017 992768269 /nfs/dbraw/zinc/76/82/69/992768269.db2.gz VXDIUBQMBNGVGK-UHFFFAOYSA-N 0 1 330.340 2.690 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001599622431 994102636 /nfs/dbraw/zinc/10/26/36/994102636.db2.gz MNWPUNAVFOKHHI-CXAGYDPISA-N 0 1 334.372 2.680 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001599622466 994103034 /nfs/dbraw/zinc/10/30/34/994103034.db2.gz OPCMFJZCQKGOPH-UHFFFAOYSA-N 0 1 345.355 2.797 20 5 EFBDMN C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593722701 996252865 /nfs/dbraw/zinc/25/28/65/996252865.db2.gz ABGMZHPCNBLOIJ-LBPRGKRZSA-N 0 1 345.355 2.646 20 5 EFBDMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593722701 996252868 /nfs/dbraw/zinc/25/28/68/996252868.db2.gz ABGMZHPCNBLOIJ-LBPRGKRZSA-N 0 1 345.355 2.646 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001593738546 996349164 /nfs/dbraw/zinc/34/91/64/996349164.db2.gz XISQKLRNDZEBAC-GIPNMCIBSA-N 0 1 346.343 2.501 20 5 EFBDMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC001594103446 998135049 /nfs/dbraw/zinc/13/50/49/998135049.db2.gz WLZPEHIMQOKTJU-HOCLYGCPSA-N 0 1 346.383 2.922 20 5 EFBDMN COc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC001599573199 998399316 /nfs/dbraw/zinc/39/93/16/998399316.db2.gz ULFQXPVRDNTILU-UHFFFAOYSA-N 0 1 334.303 2.731 20 5 EFBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001594167895 998648233 /nfs/dbraw/zinc/64/82/33/998648233.db2.gz SNZUSXKFANNXDM-PSASIEDQSA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001594167895 998648236 /nfs/dbraw/zinc/64/82/36/998648236.db2.gz SNZUSXKFANNXDM-PSASIEDQSA-N 0 1 343.177 2.652 20 5 EFBDMN C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC[N@H+]1C ZINC001594245832 998940326 /nfs/dbraw/zinc/94/03/26/998940326.db2.gz OXFLNXYNGHTBFU-ZJUUUORDSA-N 0 1 341.795 2.865 20 5 EFBDMN C[C@@H]1CCC[N@H+]1CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001594387069 999463849 /nfs/dbraw/zinc/46/38/49/999463849.db2.gz DDSTVRFFNUOSAM-SECBINFHSA-N 0 1 327.768 2.843 20 5 EFBDMN C[C@@](N)(C(=O)NCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001576081718 1088912994 /nfs/dbraw/zinc/91/29/94/1088912994.db2.gz OVMXSVXKIAXADG-KRWDZBQOSA-N 0 1 347.802 2.781 20 5 EFBDMN C[C@](N)(C(=O)NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001576082082 1088915393 /nfs/dbraw/zinc/91/53/93/1088915393.db2.gz UIEZISCDCJRGTO-MRXNPFEDSA-N 0 1 333.775 2.739 20 5 EFBDMN C[C@@H](NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001576176307 1088976998 /nfs/dbraw/zinc/97/69/98/1088976998.db2.gz VGVDBCQAEANOCT-QGHHPUGFSA-N 0 1 349.337 2.924 20 5 EFBDMN CN(CCOCc1c[nH]nn1)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001576838983 1089485688 /nfs/dbraw/zinc/48/56/88/1089485688.db2.gz JLSMXHAMYPBZHA-UHFFFAOYSA-N 0 1 346.174 2.673 20 5 EFBDMN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(-c3c[nH]nn3)cc2)c1 ZINC001576921250 1089529351 /nfs/dbraw/zinc/52/93/51/1089529351.db2.gz DWNBFRWHPTZSLO-UHFFFAOYSA-N 0 1 339.311 2.910 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[C@H](c4c[nH]nn4)CC3)nc2c1 ZINC001578047332 1090236115 /nfs/dbraw/zinc/23/61/15/1090236115.db2.gz HSHOKPXDVKBIGE-MGCOHNPYSA-N 0 1 327.348 2.728 20 5 EFBDMN CC[C@H](NC(=O)c1ccc2n1CCN[C@H]2C)c1cccc([N+](=O)[O-])c1 ZINC001578233950 1090314209 /nfs/dbraw/zinc/31/42/09/1090314209.db2.gz AZOJJJXDFYXTFV-WFASDCNBSA-N 0 1 342.399 2.942 20 5 EFBDMN Cc1c(CNC(=O)[C@@H](N)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC001579532017 1090627645 /nfs/dbraw/zinc/62/76/45/1090627645.db2.gz HBGMEPDUJRWLBE-HNNXBMFYSA-N 0 1 333.775 2.873 20 5 EFBDMN Cc1c(CNC(=O)[C@H](N)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC001579532018 1090627814 /nfs/dbraw/zinc/62/78/14/1090627814.db2.gz HBGMEPDUJRWLBE-OAHLLOKOSA-N 0 1 333.775 2.873 20 5 EFBDMN Cc1c(NC(=O)N2CCN[C@H](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579542441 1090630935 /nfs/dbraw/zinc/63/09/35/1090630935.db2.gz VLQBLXFCOAUKTF-MRVPVSSYSA-N 0 1 346.309 2.748 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2n1CCN[C@H]2C ZINC001579735122 1090674342 /nfs/dbraw/zinc/67/43/42/1090674342.db2.gz YECZZRLQXIBDQP-LBPRGKRZSA-N 0 1 328.372 2.930 20 5 EFBDMN O=C(CN1CCCC1)NCC1(Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC001104395737 1092379486 /nfs/dbraw/zinc/37/94/86/1092379486.db2.gz ASDUNVFDJUAAHJ-UHFFFAOYSA-N 0 1 346.431 2.532 20 5 EFBDMN CCC[N@@H+](C)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC001104400909 1092632582 /nfs/dbraw/zinc/63/25/82/1092632582.db2.gz HJFFPFFICJNOLU-UHFFFAOYSA-N 0 1 348.447 2.778 20 5 EFBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)C(F)=C1CCCC1 ZINC001125650783 1093293119 /nfs/dbraw/zinc/29/31/19/1093293119.db2.gz MCDCHKJPHSYQOY-UHFFFAOYSA-N 0 1 327.381 2.660 20 5 EFBDMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1cccs1 ZINC001591769781 1093852592 /nfs/dbraw/zinc/85/25/92/1093852592.db2.gz BOCBSUDOQAOSTL-VIFPVBQESA-N 0 1 330.373 2.687 20 5 EFBDMN O=[N+]([O-])c1cn(CCCCc2cccc(Cl)c2)nc1-c1nn[nH]n1 ZINC001593486572 1094329060 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EFBDMN Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000071900199 203143825 /nfs/dbraw/zinc/14/38/25/203143825.db2.gz TZIRTMAHFKQWJK-IAGOWNOFSA-N 0 1 325.368 2.584 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000071912060 203148333 /nfs/dbraw/zinc/14/83/33/203148333.db2.gz DEJKYRPKPJAARY-CYBMUJFWSA-N 0 1 343.343 2.584 20 5 EFBDMN Cc1ccc(CN[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000414537095 244217610 /nfs/dbraw/zinc/21/76/10/244217610.db2.gz YSAVSXPPDINFEZ-MRXNPFEDSA-N 0 1 343.358 2.937 20 5 EFBDMN NC1(c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)CCC1 ZINC000414655473 244278485 /nfs/dbraw/zinc/27/84/85/244278485.db2.gz ZYPYNTYGUDLHPC-UHFFFAOYSA-N 0 1 339.149 2.745 20 5 EFBDMN Cc1nnc(SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]1 ZINC000073046376 203255456 /nfs/dbraw/zinc/25/54/56/203255456.db2.gz PMAXBTQGBDFGDQ-UHFFFAOYSA-N 0 1 349.416 2.551 20 5 EFBDMN Cc1n[nH]c(SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000073046376 203255459 /nfs/dbraw/zinc/25/54/59/203255459.db2.gz PMAXBTQGBDFGDQ-UHFFFAOYSA-N 0 1 349.416 2.551 20 5 EFBDMN CCO[C@H](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000074290959 203284893 /nfs/dbraw/zinc/28/48/93/203284893.db2.gz TVCDYQZHSALSBI-CQSZACIVSA-N 0 1 334.376 2.652 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000076041835 203332649 /nfs/dbraw/zinc/33/26/49/203332649.db2.gz PBHSRUCARYDYAC-RISCZKNCSA-N 0 1 344.371 2.537 20 5 EFBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342894763 284184462 /nfs/dbraw/zinc/18/44/62/284184462.db2.gz OSGASRUHOJNQFV-LBPRGKRZSA-N 0 1 325.328 2.607 20 5 EFBDMN COc1ccc(CN2CCC[C@H](CNC(=O)C(C)C)C2)cc1[N+](=O)[O-] ZINC000101909408 204025941 /nfs/dbraw/zinc/02/59/41/204025941.db2.gz ANCPSAMPTHIZSJ-OAHLLOKOSA-N 0 1 349.431 2.588 20 5 EFBDMN COc1ccc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)cc1[N+](=O)[O-] ZINC000101909403 204026331 /nfs/dbraw/zinc/02/63/31/204026331.db2.gz ANCPSAMPTHIZSJ-HNNXBMFYSA-N 0 1 349.431 2.588 20 5 EFBDMN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000107695413 204242865 /nfs/dbraw/zinc/24/28/65/204242865.db2.gz YRLKKVQOCNFZOC-NSHDSACASA-N 0 1 341.795 2.545 20 5 EFBDMN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCCOC1 ZINC000107686872 204243298 /nfs/dbraw/zinc/24/32/98/204243298.db2.gz OQWMRVNDZNXFOX-GFCCVEGCSA-N 0 1 332.360 2.503 20 5 EFBDMN O=[N+]([O-])c1cc(NS(=O)(=O)C[C@@H]2CCCCO2)ccc1Cl ZINC000110096364 204303374 /nfs/dbraw/zinc/30/33/74/204303374.db2.gz AGAMICURMKHPQU-JTQLQIEISA-N 0 1 334.781 2.559 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](C)[C@H](C)[C@H]1C ZINC000419371750 245391512 /nfs/dbraw/zinc/39/15/12/245391512.db2.gz LHLPCZZHYYSQFE-RVMXOQNASA-N 0 1 335.404 2.907 20 5 EFBDMN COCCCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000419379752 245393828 /nfs/dbraw/zinc/39/38/28/245393828.db2.gz FUSMUAGMLVIVLL-UHFFFAOYSA-N 0 1 329.784 2.545 20 5 EFBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)c(F)c1 ZINC000127779128 205117165 /nfs/dbraw/zinc/11/71/65/205117165.db2.gz PDQRFMQZTSXKSI-UHFFFAOYSA-N 0 1 339.754 2.681 20 5 EFBDMN CN1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000263722180 245581454 /nfs/dbraw/zinc/58/14/54/245581454.db2.gz KBMNZQCLMMKQGX-JTQLQIEISA-N 0 1 349.774 2.829 20 5 EFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246834364 205236431 /nfs/dbraw/zinc/23/64/31/205236431.db2.gz KGBRSIDTARCCIP-GLJUWKHASA-N 0 1 347.415 2.549 20 5 EFBDMN CN1CCN(CCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000228841280 205398434 /nfs/dbraw/zinc/39/84/34/205398434.db2.gz XNKDJRXXEIOYSA-UHFFFAOYSA-N 0 1 333.219 2.561 20 5 EFBDMN O=[N+]([O-])c1cnn(CCN(Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000157852580 206159210 /nfs/dbraw/zinc/15/92/10/206159210.db2.gz SNJNLUNOBZQYDD-QGZVFWFLSA-N 0 1 348.378 2.612 20 5 EFBDMN CCCN(CCn1cc([N+](=O)[O-])cn1)[C@H](C)C(=O)Nc1ccccc1 ZINC000157881583 206160190 /nfs/dbraw/zinc/16/01/90/206160190.db2.gz VQSFFBZQOWBKDO-CQSZACIVSA-N 0 1 345.403 2.531 20 5 EFBDMN C[C@@H](c1ccc(F)c(F)c1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159708893 206259126 /nfs/dbraw/zinc/25/91/26/206259126.db2.gz QBHVYBMJMLOPCN-NSHDSACASA-N 0 1 337.326 2.728 20 5 EFBDMN Cc1c(CC(=O)N2CCNC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000424004089 246676401 /nfs/dbraw/zinc/67/64/01/246676401.db2.gz RUKMIMMBLCMQFV-GOSISDBHSA-N 0 1 339.395 2.619 20 5 EFBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000425461089 247093447 /nfs/dbraw/zinc/09/34/47/247093447.db2.gz UGOHZHYZJHIORC-DGCLKSJQSA-N 0 1 329.194 2.703 20 5 EFBDMN CC[C@@H](O)[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000265054485 247164321 /nfs/dbraw/zinc/16/43/21/247164321.db2.gz QTHMBKLKVHZYRI-HUUCEWRRSA-N 0 1 346.387 2.770 20 5 EFBDMN CC[C@H](O)[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000265054483 247165433 /nfs/dbraw/zinc/16/54/33/247165433.db2.gz QTHMBKLKVHZYRI-CABCVRRESA-N 0 1 346.387 2.770 20 5 EFBDMN CCOc1ccc(NC(=O)CN2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426474047 247285659 /nfs/dbraw/zinc/28/56/59/247285659.db2.gz ZAJPZAALOQARBI-WFASDCNBSA-N 0 1 333.388 2.806 20 5 EFBDMN C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000160317380 206289726 /nfs/dbraw/zinc/28/97/26/206289726.db2.gz BJJJOMUJVSGFAY-ZDUSSCGKSA-N 0 1 343.383 2.551 20 5 EFBDMN COCc1cc([N+](=O)[O-])ccc1NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000266008523 248024668 /nfs/dbraw/zinc/02/46/68/248024668.db2.gz MXFKWZIUHINNJF-OKILXGFUSA-N 0 1 337.420 2.652 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)Cc2cc(F)cc(F)c2)c1[N+](=O)[O-] ZINC000434345865 248143410 /nfs/dbraw/zinc/14/34/10/248143410.db2.gz FGGHFJWWSWLURA-UHFFFAOYSA-N 0 1 338.314 2.821 20 5 EFBDMN CC1(C)CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000434708474 248181448 /nfs/dbraw/zinc/18/14/48/248181448.db2.gz VGRGLAZCIHIPOU-HNNXBMFYSA-N 0 1 349.456 2.918 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)Cc2cc(C)ccc2F)c1[N+](=O)[O-] ZINC000444446880 250301831 /nfs/dbraw/zinc/30/18/31/250301831.db2.gz UOLPHEUJEPRGFN-UHFFFAOYSA-N 0 1 334.351 2.990 20 5 EFBDMN O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(O)c(Cl)c3)n2)nc1 ZINC000445231186 250396664 /nfs/dbraw/zinc/39/66/64/250396664.db2.gz NZPKZWHGEFNCJV-UHFFFAOYSA-N 0 1 332.703 2.990 20 5 EFBDMN C[C@H](CCc1cccn1C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174436720 207019791 /nfs/dbraw/zinc/01/97/91/207019791.db2.gz QBJCYJCWGOODMG-LLVKDONJSA-N 0 1 341.371 2.561 20 5 EFBDMN C[C@@H](CCc1cccn1C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174436707 207019925 /nfs/dbraw/zinc/01/99/25/207019925.db2.gz QBJCYJCWGOODMG-NSHDSACASA-N 0 1 341.371 2.561 20 5 EFBDMN C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000267426923 251048387 /nfs/dbraw/zinc/04/83/87/251048387.db2.gz LOXQVIORKNKYOS-CQSZACIVSA-N 0 1 342.399 2.677 20 5 EFBDMN CCO[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000449503088 251045391 /nfs/dbraw/zinc/04/53/91/251045391.db2.gz XHNIWXKDHDWMQR-MLGOLLRUSA-N 0 1 336.388 2.708 20 5 EFBDMN CC[C@H](N[C@H](C)C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000267445367 251062677 /nfs/dbraw/zinc/06/26/77/251062677.db2.gz PYESYUNBOHTNTN-SKDRFNHKSA-N 0 1 333.310 2.703 20 5 EFBDMN CCn1ccnc1[C@H](C)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449563238 251067647 /nfs/dbraw/zinc/06/76/47/251067647.db2.gz SVWVZKUNIQQNAF-STQMWFEESA-N 0 1 345.403 2.879 20 5 EFBDMN CO[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1O ZINC000449569499 251068837 /nfs/dbraw/zinc/06/88/37/251068837.db2.gz BYSBNALBHMSIFB-HUUCEWRRSA-N 0 1 334.397 2.515 20 5 EFBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000449574278 251069478 /nfs/dbraw/zinc/06/94/78/251069478.db2.gz UIJSIHMHOSDARS-TYNCELHUSA-N 0 1 343.387 2.804 20 5 EFBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000449569086 251070022 /nfs/dbraw/zinc/07/00/22/251070022.db2.gz GDWVNVHNMIGBAL-JMSVASOKSA-N 0 1 343.387 2.804 20 5 EFBDMN CC(C)c1ccc(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449544979 251058838 /nfs/dbraw/zinc/05/88/38/251058838.db2.gz RVRWJPZKIZCCPA-GASCZTMLSA-N 0 1 335.448 2.605 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175381836 207122607 /nfs/dbraw/zinc/12/26/07/207122607.db2.gz SKGHGKJTOLILNB-CYBMUJFWSA-N 0 1 328.372 2.585 20 5 EFBDMN CCOc1cccc(CN(CCO)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000449764206 251148053 /nfs/dbraw/zinc/14/80/53/251148053.db2.gz ZODLBMMJWQTMJI-UHFFFAOYSA-N 0 1 330.384 2.988 20 5 EFBDMN CO[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)C1 ZINC000449846206 251175265 /nfs/dbraw/zinc/17/52/65/251175265.db2.gz WOUPSCQEIOQAGI-WCQYABFASA-N 0 1 345.359 2.524 20 5 EFBDMN C[C@@H]1N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCOC1(C)C ZINC000450189481 251293222 /nfs/dbraw/zinc/29/32/22/251293222.db2.gz XFKBUSCHVPCICK-NSHDSACASA-N 0 1 344.371 2.624 20 5 EFBDMN C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])CN1CCOCC1 ZINC000450349856 251355338 /nfs/dbraw/zinc/35/53/38/251355338.db2.gz VPNCRPAQQBEFTI-CYBMUJFWSA-N 0 1 330.388 2.523 20 5 EFBDMN Cc1nc(N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450419029 251381052 /nfs/dbraw/zinc/38/10/52/251381052.db2.gz NFMREYUDSJGIFY-KGLIPLIRSA-N 0 1 341.415 2.792 20 5 EFBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177275113 207315425 /nfs/dbraw/zinc/31/54/25/207315425.db2.gz QGUNATDTSKFPDW-OUCADQQQSA-N 0 1 335.429 2.603 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000456529009 255646715 /nfs/dbraw/zinc/64/67/15/255646715.db2.gz LLAPNJMMKVUWJK-GFCCVEGCSA-N 0 1 339.823 2.733 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000456539747 255647231 /nfs/dbraw/zinc/64/72/31/255647231.db2.gz YVWPJQZVPPIREH-GFCCVEGCSA-N 0 1 337.445 2.873 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccnc(N(C)C)n1 ZINC000468587877 256017261 /nfs/dbraw/zinc/01/72/61/256017261.db2.gz QCDWUZHXDCYEHD-UKTHLTGXSA-N 0 1 327.388 2.644 20 5 EFBDMN C[C@@H]1CCCC[C@H]1N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129257866 533606855 /nfs/dbraw/zinc/60/68/55/533606855.db2.gz ZQTGPBWGHOGLPA-CZUORRHYSA-N 0 1 340.445 2.879 20 5 EFBDMN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000340508682 141807372 /nfs/dbraw/zinc/80/73/72/141807372.db2.gz YUQYGTWPCMNPBD-WCQYABFASA-N 0 1 346.836 2.694 20 5 EFBDMN CCn1ccnc1[C@@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000343400985 141989872 /nfs/dbraw/zinc/98/98/72/141989872.db2.gz LCWNVRNQJFVGIE-LSDHHAIUSA-N 0 1 334.351 2.570 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000344427910 142014719 /nfs/dbraw/zinc/01/47/19/142014719.db2.gz JWCRJRCBBIZTJF-GHMZBOCLSA-N 0 1 325.796 2.803 20 5 EFBDMN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2nc[nH]c2c1 ZINC000344467859 142022333 /nfs/dbraw/zinc/02/23/33/142022333.db2.gz URQVNUJEOIDSIO-UHFFFAOYSA-N 0 1 326.312 2.879 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345960505 142124450 /nfs/dbraw/zinc/12/44/50/142124450.db2.gz NZBPNZXVRMLYSU-OLZOCXBDSA-N 0 1 337.445 2.628 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345960507 142124621 /nfs/dbraw/zinc/12/46/21/142124621.db2.gz NZBPNZXVRMLYSU-QWHCGFSZSA-N 0 1 337.445 2.628 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1C ZINC000345974125 142126311 /nfs/dbraw/zinc/12/63/11/142126311.db2.gz XPXQNQLNHSOQTB-NEPJUHHUSA-N 0 1 330.388 2.631 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1C ZINC000345974126 142126508 /nfs/dbraw/zinc/12/65/08/142126508.db2.gz XPXQNQLNHSOQTB-NWDGAFQWSA-N 0 1 330.388 2.631 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345975093 142126793 /nfs/dbraw/zinc/12/67/93/142126793.db2.gz XVNALAUNHQNWLS-GJZGRUSLSA-N 0 1 348.447 2.728 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000346003915 142131252 /nfs/dbraw/zinc/13/12/52/142131252.db2.gz YMGMVHYNRLRYDC-GHMZBOCLSA-N 0 1 325.796 2.803 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346005011 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EFBDMN C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC(C)(C)C1 ZINC000344056725 145357169 /nfs/dbraw/zinc/35/71/69/145357169.db2.gz KBODISARKDKEQV-ZDUSSCGKSA-N 0 1 331.416 2.852 20 5 EFBDMN CN(C)c1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2[nH]1 ZINC000344100061 145367948 /nfs/dbraw/zinc/36/79/48/145367948.db2.gz BKWGRFKYXNRJRK-UHFFFAOYSA-N 0 1 325.328 2.789 20 5 EFBDMN CC(C)(C)[C@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000344169986 145384090 /nfs/dbraw/zinc/38/40/90/145384090.db2.gz XUXRTPOTLUNAJX-NSHDSACASA-N 0 1 349.387 2.630 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](C(C)C)C1 ZINC000351093063 146109745 /nfs/dbraw/zinc/10/97/45/146109745.db2.gz ANJCOSHSFOMLKE-MRXNPFEDSA-N 0 1 335.404 2.589 20 5 EFBDMN CC(C)(C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000351106474 146110418 /nfs/dbraw/zinc/11/04/18/146110418.db2.gz HLZZOHIPFPRYFM-UHFFFAOYSA-N 0 1 327.189 2.978 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351144395 146112839 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O=C(Nc1ncccc1OC(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356514235 147265174 /nfs/dbraw/zinc/26/51/74/147265174.db2.gz PABYTQLNHCRSME-UHFFFAOYSA-N 0 1 325.227 2.549 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000356518992 147266284 /nfs/dbraw/zinc/26/62/84/147266284.db2.gz WWWIUQCSXKFQIY-AWEZNQCLSA-N 0 1 327.340 2.627 20 5 EFBDMN COc1ccc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000356555920 147276279 /nfs/dbraw/zinc/27/62/79/147276279.db2.gz XHZFYYZAVHOMNI-UHFFFAOYSA-N 0 1 328.324 2.728 20 5 EFBDMN Cn1nc(CC(C)(C)C)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356555277 147276306 /nfs/dbraw/zinc/27/63/06/147276306.db2.gz XBMCPVIWFVMYLE-UHFFFAOYSA-N 0 1 332.360 2.875 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000356570469 147280579 /nfs/dbraw/zinc/28/05/79/147280579.db2.gz ARPFOEGZYGKWGI-QGZVFWFLSA-N 0 1 342.351 2.984 20 5 EFBDMN O=C(NCc1cccc(N2CC=CC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356587939 147284298 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O=C(NCc1csc(-c2ccco2)n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356807204 147341217 /nfs/dbraw/zinc/34/12/17/147341217.db2.gz VBWCTYDBKFUYRU-UHFFFAOYSA-N 0 1 345.336 2.947 20 5 EFBDMN CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])s1)Cc1ccco1 ZINC000356815153 147343280 /nfs/dbraw/zinc/34/32/80/147343280.db2.gz PFOAZISYEGYPIQ-UHFFFAOYSA-N 0 1 337.401 2.843 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2Cc2ccccc2C)c1[N+](=O)[O-] ZINC000358842986 147916212 /nfs/dbraw/zinc/91/62/12/147916212.db2.gz XBGKFTPKVKUKKE-AWEZNQCLSA-N 0 1 328.372 2.782 20 5 EFBDMN CCC[C@@H]1CNCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000359234018 148031493 /nfs/dbraw/zinc/03/14/93/148031493.db2.gz KNAQQYZGHFIMRR-GXTWGEPZSA-N 0 1 337.445 2.676 20 5 EFBDMN CS[C@@H](C)CCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000359445997 148086534 /nfs/dbraw/zinc/08/65/34/148086534.db2.gz MKHGNBIBXDLTHD-VIFPVBQESA-N 0 1 335.389 2.850 20 5 EFBDMN Cc1nn(C)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc12 ZINC000359565266 148124675 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Cc1nc(-c2ccccc2)sc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000131765192 293208188 /nfs/dbraw/zinc/20/81/88/293208188.db2.gz CXZDYOKBJNLJRA-UHFFFAOYSA-N 0 1 343.368 2.680 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000133288203 293252988 /nfs/dbraw/zinc/25/29/88/293252988.db2.gz IBOJHNQKKBKZSZ-INIZCTEOSA-N 0 1 349.337 2.906 20 5 EFBDMN Cc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c(OCCC(C)C)c1 ZINC000153567863 293381822 /nfs/dbraw/zinc/38/18/22/293381822.db2.gz RTBMHVVNIXXBQS-UHFFFAOYSA-N 0 1 346.387 2.981 20 5 EFBDMN CN(C)Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000154575208 293431296 /nfs/dbraw/zinc/43/12/96/293431296.db2.gz FAQRQWQZUCDRFW-UHFFFAOYSA-N 0 1 345.374 2.654 20 5 EFBDMN CSC1(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000290386080 294072775 /nfs/dbraw/zinc/07/27/75/294072775.db2.gz IYAUZARSKTUGRG-UHFFFAOYSA-N 0 1 349.456 2.638 20 5 EFBDMN C[C@H](C[S@](C)=O)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290845432 294201394 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EFBDMN COc1ccncc1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000294090303 295109017 /nfs/dbraw/zinc/10/90/17/295109017.db2.gz IVHCVDZWBHWLAY-GFCCVEGCSA-N 0 1 344.371 2.505 20 5 EFBDMN O=C(NCCCCCCCCCCCO)c1n[nH]cc1[N+](=O)[O-] ZINC000294578952 295188874 /nfs/dbraw/zinc/18/88/74/295188874.db2.gz HMVQNZNNLVEFNE-UHFFFAOYSA-N 0 1 326.397 2.551 20 5 EFBDMN O=C(NCCN1CCCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294582368 295189225 /nfs/dbraw/zinc/18/92/25/295189225.db2.gz TWUSIHPLRAUDCW-UHFFFAOYSA-N 0 1 345.321 2.829 20 5 EFBDMN CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294678604 295206480 /nfs/dbraw/zinc/20/64/80/295206480.db2.gz XODRWKHDLRBEGJ-CQSZACIVSA-N 0 1 344.371 2.626 20 5 EFBDMN O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000294711448 295212833 /nfs/dbraw/zinc/21/28/33/295212833.db2.gz DRCZJULTRHGHMI-GXTWGEPZSA-N 0 1 343.358 2.515 20 5 EFBDMN CC(C)OCCCN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294813804 295231914 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CO[C@]1(C)C[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000296336212 295460409 /nfs/dbraw/zinc/46/04/09/295460409.db2.gz RAVXUDSIBWDZNR-SUMWQHHRSA-N 0 1 346.387 2.938 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000297303981 310878640 /nfs/dbraw/zinc/87/86/40/310878640.db2.gz HYCFSXQXKUKOAX-ZIAGYGMSSA-N 0 1 334.420 2.782 20 5 EFBDMN CC[C@@H]1CO[C@@H](C)CN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000299209767 311061733 /nfs/dbraw/zinc/06/17/33/311061733.db2.gz BLGRPKWCWZGJMC-GXTWGEPZSA-N 0 1 335.404 2.731 20 5 EFBDMN CCN(CC)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC000299324948 311072788 /nfs/dbraw/zinc/07/27/88/311072788.db2.gz GBGOHUPUDKLGHU-OAHLLOKOSA-N 0 1 346.387 2.583 20 5 EFBDMN COc1ccnc(N2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000301191660 311123968 /nfs/dbraw/zinc/12/39/68/311123968.db2.gz LZQZIQRRQNCTHP-UHFFFAOYSA-N 0 1 328.372 2.633 20 5 EFBDMN C[C@@H](CN1CCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301297655 311129758 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EFBDMN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000302545100 311192877 /nfs/dbraw/zinc/19/28/77/311192877.db2.gz UPAODMUCJGBFBS-XHSDSOJGSA-N 0 1 333.432 2.981 20 5 EFBDMN C[C@@H]1CN(CCN(C)c2ccc([N+](=O)[O-])c3cccnc32)C[C@H](C)O1 ZINC000302843186 311204099 /nfs/dbraw/zinc/20/40/99/311204099.db2.gz FCKXWMYRYSKAPG-OKILXGFUSA-N 0 1 344.415 2.688 20 5 EFBDMN Cc1ccc(C(=O)N2CCNC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000313333809 311231752 /nfs/dbraw/zinc/23/17/52/311231752.db2.gz AMCSIGOGUYTZHC-KRWDZBQOSA-N 0 1 325.368 2.690 20 5 EFBDMN Cc1cc(C(=O)N2CCNC[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000313337937 311231903 /nfs/dbraw/zinc/23/19/03/311231903.db2.gz CZGLGIQWRDDIKB-KRWDZBQOSA-N 0 1 325.368 2.690 20 5 EFBDMN CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000319177452 311237010 /nfs/dbraw/zinc/23/70/10/311237010.db2.gz JAFGOWLXNTZFBI-GHMZBOCLSA-N 0 1 330.381 2.981 20 5 EFBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000319229140 311237081 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COc1cc(Cc2noc(C34CCCN3CCC4)n2)ccc1[N+](=O)[O-] ZINC000351304111 311878157 /nfs/dbraw/zinc/87/81/57/311878157.db2.gz UYCZEAQRZWJRIU-UHFFFAOYSA-N 0 1 344.371 2.662 20 5 EFBDMN NC(=O)c1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417316548 312207915 /nfs/dbraw/zinc/20/79/15/312207915.db2.gz UKBRFXKFVSSJPW-MRXNPFEDSA-N 0 1 340.383 2.646 20 5 EFBDMN Cc1ncc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(=O)[nH]1 ZINC000417340029 312211441 /nfs/dbraw/zinc/21/14/41/312211441.db2.gz JHODIPMQFLVUQF-INIZCTEOSA-N 0 1 328.372 2.956 20 5 EFBDMN CC(=O)Nc1ccc(C)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432494226 312569258 /nfs/dbraw/zinc/56/92/58/312569258.db2.gz DHBBHNLQWFGSKM-UHFFFAOYSA-N 0 1 329.312 2.820 20 5 EFBDMN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(F)F ZINC000451069012 312810763 /nfs/dbraw/zinc/81/07/63/312810763.db2.gz DGBPSEMYQBTJAB-LURJTMIESA-N 0 1 328.724 2.570 20 5 EFBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cnc(C3CC3)o2)n1 ZINC000453354312 312891638 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343.427 2.942 20 5 EFBDMN COC(=O)c1ccc(C)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000471792353 313160033 /nfs/dbraw/zinc/16/00/33/313160033.db2.gz KFGZZEFGJIUWOA-UHFFFAOYSA-N 0 1 330.296 2.648 20 5 EFBDMN CCc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1[N+](=O)[O-] ZINC000471797847 313160414 /nfs/dbraw/zinc/16/04/14/313160414.db2.gz HMHLIMZIQFCYOU-UHFFFAOYSA-N 0 1 338.327 2.590 20 5 EFBDMN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000472339811 313187045 /nfs/dbraw/zinc/18/70/45/313187045.db2.gz UTQYZWRBFUMOKY-IRXDYDNUSA-N 0 1 333.432 2.859 20 5 EFBDMN CC[C@@H]1CCCC[N@H+]1CCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486951892 313351534 /nfs/dbraw/zinc/35/15/34/313351534.db2.gz VVSCCNFVQDYGHK-CQSZACIVSA-N 0 1 345.403 2.743 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2noc(N3CCC(c4ccn[nH]4)CC3)n2)cc1 ZINC000486980955 313354936 /nfs/dbraw/zinc/35/49/36/313354936.db2.gz PUWQYLKSEXZLKN-UHFFFAOYSA-N 0 1 340.343 2.752 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc(C2CCC2)n[nH]1 ZINC000492605805 314055085 /nfs/dbraw/zinc/05/50/85/314055085.db2.gz UUCJLSHBNARKHL-FNORWQNLSA-N 0 1 331.307 2.771 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])Nc1n[nH]c(C2CCC2)n1 ZINC000492605805 314055088 /nfs/dbraw/zinc/05/50/88/314055088.db2.gz UUCJLSHBNARKHL-FNORWQNLSA-N 0 1 331.307 2.771 20 5 EFBDMN C[C@@]1(CO)CCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493608138 314417143 /nfs/dbraw/zinc/41/71/43/314417143.db2.gz ZRQISLRJLIVYMK-RDJZCZTQSA-N 0 1 331.372 2.891 20 5 EFBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000496753211 315182570 /nfs/dbraw/zinc/18/25/70/315182570.db2.gz AVLSCRSRIFOMRS-MWLCHTKSSA-N 0 1 339.348 2.526 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(CCCCC3CCOCC3)CC2)cn1 ZINC000520210976 315937913 /nfs/dbraw/zinc/93/79/13/315937913.db2.gz IZJKUYYNWOKZPH-UHFFFAOYSA-N 0 1 348.447 2.709 20 5 EFBDMN COc1cc(CN[C@@H]2COc3cc(F)ccc3C2)c([N+](=O)[O-])cc1O ZINC000520610936 315970512 /nfs/dbraw/zinc/97/05/12/315970512.db2.gz COYMOIPLKXANSY-ZDUSSCGKSA-N 0 1 348.330 2.541 20 5 EFBDMN CCc1cccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000527050794 316327252 /nfs/dbraw/zinc/32/72/52/316327252.db2.gz HPVVESABTRXRNL-UHFFFAOYSA-N 0 1 326.400 2.874 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(S(C)(=O)=O)CCC1 ZINC000530365961 317115184 /nfs/dbraw/zinc/11/51/84/317115184.db2.gz HJFSECBIONUVJY-GFCCVEGCSA-N 0 1 326.418 2.521 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000530590488 317151751 /nfs/dbraw/zinc/15/17/51/317151751.db2.gz CLZINPONQBPWAZ-CQSZACIVSA-N 0 1 336.779 2.609 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000531306031 317248328 /nfs/dbraw/zinc/24/83/28/317248328.db2.gz GEEHYKXAXKNNHH-LBPRGKRZSA-N 0 1 337.763 2.874 20 5 EFBDMN C[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000537955496 317686378 /nfs/dbraw/zinc/68/63/78/317686378.db2.gz YOTSBDPUKLDEQP-GFCCVEGCSA-N 0 1 346.408 2.775 20 5 EFBDMN C[C@H](NCC(=O)NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539276724 317717120 /nfs/dbraw/zinc/71/71/20/317717120.db2.gz JNPABLDAFVADBP-HNNXBMFYSA-N 0 1 341.411 2.994 20 5 EFBDMN C[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000540159813 317740619 /nfs/dbraw/zinc/74/06/19/317740619.db2.gz DREPOACBHUCUBC-LBPRGKRZSA-N 0 1 346.408 2.775 20 5 EFBDMN O=C(NC1(c2ccccc2)CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548449468 318109512 /nfs/dbraw/zinc/10/95/12/318109512.db2.gz XZJZNSZWDHJGHI-UHFFFAOYSA-N 0 1 342.351 2.736 20 5 EFBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccccc2N(C)C1=O ZINC000549527483 318176183 /nfs/dbraw/zinc/17/61/83/318176183.db2.gz OCXPFMLSTFJLRO-GFCCVEGCSA-N 0 1 341.367 2.920 20 5 EFBDMN C[C@@H]1C[C@H]1c1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000550175420 318189291 /nfs/dbraw/zinc/18/92/91/318189291.db2.gz SRCNODSVSCHDIK-HACGYAERSA-N 0 1 346.383 2.841 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000552145817 318245183 /nfs/dbraw/zinc/24/51/83/318245183.db2.gz JEDCVZVCVWZDRD-KCQAQPDRSA-N 0 1 349.456 2.771 20 5 EFBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccccc2Cl)c1 ZINC000555516075 318358778 /nfs/dbraw/zinc/35/87/78/318358778.db2.gz NBCIYMVASVUTNN-AWEZNQCLSA-N 0 1 336.775 2.778 20 5 EFBDMN CC[C@@H]1CN(C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555878908 318372676 /nfs/dbraw/zinc/37/26/76/318372676.db2.gz QRNRZBBJYKZOMO-OAHLLOKOSA-N 0 1 330.388 2.776 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)C1 ZINC000566467361 319080851 /nfs/dbraw/zinc/08/08/51/319080851.db2.gz VCWIAGUSTRRZCY-TXEJJXNPSA-N 0 1 330.388 2.631 20 5 EFBDMN O=C([O-])c1cccc2c1CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000566572553 319091414 /nfs/dbraw/zinc/09/14/14/319091414.db2.gz GJXJDKYBTPZNRF-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(C2CC2)s1 ZINC000568705961 319308696 /nfs/dbraw/zinc/30/86/96/319308696.db2.gz IYVFZPSNCYBTIU-UHFFFAOYSA-N 0 1 334.357 2.975 20 5 EFBDMN CNC(=O)c1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000569237676 319362241 /nfs/dbraw/zinc/36/22/41/319362241.db2.gz GXGVYMFCVXPFCX-MRXNPFEDSA-N 0 1 325.368 2.732 20 5 EFBDMN CC(C)(C)N1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000576702919 320040603 /nfs/dbraw/zinc/04/06/03/320040603.db2.gz CSQUMHJQJHPGIG-JKSUJKDBSA-N 0 1 331.416 2.961 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@H](N2CCOCC2)CC1 ZINC000576838067 320053744 /nfs/dbraw/zinc/05/37/44/320053744.db2.gz OMGMBPJPZQBWKS-ZDUSSCGKSA-N 0 1 339.823 2.939 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@@H](N2CCOCC2)CC1 ZINC000576838065 320053811 /nfs/dbraw/zinc/05/38/11/320053811.db2.gz OMGMBPJPZQBWKS-CYBMUJFWSA-N 0 1 339.823 2.939 20 5 EFBDMN Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577377530 320105307 /nfs/dbraw/zinc/10/53/07/320105307.db2.gz NBYXTXWGGAITFO-LLVKDONJSA-N 0 1 330.344 2.709 20 5 EFBDMN C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000577521570 320118837 /nfs/dbraw/zinc/11/88/37/320118837.db2.gz JBHFPQOXZYOZTR-KRWDZBQOSA-N 0 1 328.368 2.765 20 5 EFBDMN O=C(Nc1ncccc1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000181000356 323224337 /nfs/dbraw/zinc/22/43/37/323224337.db2.gz BSZQCMCOWBZQPE-UHFFFAOYSA-N 0 1 327.218 2.967 20 5 EFBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000181479916 323236265 /nfs/dbraw/zinc/23/62/65/323236265.db2.gz QOQXELYGTJEJGH-SECBINFHSA-N 0 1 335.389 2.704 20 5 EFBDMN CC[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCO1 ZINC000182370109 323279846 /nfs/dbraw/zinc/27/98/46/323279846.db2.gz XJSDYTTYJANNSN-KBPBESRZSA-N 0 1 332.360 2.692 20 5 EFBDMN C[C@H](C(=O)Nc1cc(CN(C)C)ccn1)c1ccc([N+](=O)[O-])cc1F ZINC000184517551 323366259 /nfs/dbraw/zinc/36/62/59/323366259.db2.gz CMQWRVVOVODAIV-NSHDSACASA-N 0 1 346.362 2.933 20 5 EFBDMN C[C@@H](N[C@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000185897733 323400592 /nfs/dbraw/zinc/40/05/92/323400592.db2.gz UJRNBEBKCBEHSO-BDJLRTHQSA-N 0 1 347.802 2.995 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]3[C@H]3CCCOC3)nc2c1 ZINC000579709447 324016825 /nfs/dbraw/zinc/01/68/25/324016825.db2.gz SYSKBQYSANWEBD-LRDDRELGSA-N 0 1 330.388 2.862 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]3[C@@H]3CCCOC3)nc2c1 ZINC000579709453 324017220 /nfs/dbraw/zinc/01/72/20/324017220.db2.gz SYSKBQYSANWEBD-WBMJQRKESA-N 0 1 330.388 2.862 20 5 EFBDMN C[C@H](Cc1ccsc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000580285435 324132136 /nfs/dbraw/zinc/13/21/36/324132136.db2.gz QERUUMVNBWECPD-CYBMUJFWSA-N 0 1 332.429 2.805 20 5 EFBDMN CCc1ccc(S(=O)(=O)Nc2ccc(C)nc2C)cc1[N+](=O)[O-] ZINC000580892822 324260720 /nfs/dbraw/zinc/26/07/20/324260720.db2.gz LSKLKTZDLBYZJH-UHFFFAOYSA-N 0 1 335.385 2.970 20 5 EFBDMN C[C@@H](CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000583398548 324804640 /nfs/dbraw/zinc/80/46/40/324804640.db2.gz YUCNOSAQTJKABK-JTQLQIEISA-N 0 1 347.246 2.949 20 5 EFBDMN CCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000049480637 472950340 /nfs/dbraw/zinc/95/03/40/472950340.db2.gz VIVHHOOCVYRSCL-UHFFFAOYSA-N 0 1 330.182 2.638 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)CCCCc2cn[nH]n2)cc1[N+](=O)[O-] ZINC000139461916 473233148 /nfs/dbraw/zinc/23/31/48/473233148.db2.gz UOTOJKRMKJIFIJ-LBPRGKRZSA-N 0 1 331.376 2.612 20 5 EFBDMN CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000124374498 473238482 /nfs/dbraw/zinc/23/84/82/473238482.db2.gz MKPQWJDHKUJAEK-UHFFFAOYSA-N 0 1 336.369 2.967 20 5 EFBDMN Cc1c(NC(=O)CCN2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000139803209 473238796 /nfs/dbraw/zinc/23/87/96/473238796.db2.gz CDFSZMJJSSJLAJ-UHFFFAOYSA-N 0 1 347.415 2.877 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000139934222 473240640 /nfs/dbraw/zinc/24/06/40/473240640.db2.gz HSDPBUQIPDNJJI-UHFFFAOYSA-N 0 1 349.822 2.694 20 5 EFBDMN COc1cc(N2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000140365876 473244678 /nfs/dbraw/zinc/24/46/78/473244678.db2.gz NWKOECFEDXMHID-UHFFFAOYSA-N 0 1 327.384 2.926 20 5 EFBDMN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000124509588 473253438 /nfs/dbraw/zinc/25/34/38/473253438.db2.gz QCKKIVFWLRKORY-CZUORRHYSA-N 0 1 344.371 2.524 20 5 EFBDMN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000124509354 473253900 /nfs/dbraw/zinc/25/39/00/473253900.db2.gz QCKKIVFWLRKORY-BBRMVZONSA-N 0 1 344.371 2.524 20 5 EFBDMN CCN(CCC(=O)OC)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162444319 473339292 /nfs/dbraw/zinc/33/92/92/473339292.db2.gz MTDVUCUTBLVCGG-UHFFFAOYSA-N 0 1 345.193 2.742 20 5 EFBDMN C[C@H]1CCC[C@H](C)N(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000125220332 473375890 /nfs/dbraw/zinc/37/58/90/473375890.db2.gz ZGPPOCVPGQDHIQ-RYUDHWBXSA-N 0 1 349.387 2.773 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000162841168 473389486 /nfs/dbraw/zinc/38/94/86/473389486.db2.gz ZRPOEEXDLVMZLB-SCLBCKFNSA-N 0 1 339.395 2.967 20 5 EFBDMN CC[C@@H](C)N(CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000311528808 474838446 /nfs/dbraw/zinc/83/84/46/474838446.db2.gz AMUGCTGEMJSFAI-SNVBAGLBSA-N 0 1 331.210 2.950 20 5 EFBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000619782647 479883054 /nfs/dbraw/zinc/88/30/54/479883054.db2.gz IEVHVCQHPQNTBD-NSHDSACASA-N 0 1 331.397 2.896 20 5 EFBDMN O=C(NCc1ccc(F)c(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000358809047 475957771 /nfs/dbraw/zinc/95/77/71/475957771.db2.gz UDWNEFLPUXRQOX-UHFFFAOYSA-N 0 1 332.266 2.679 20 5 EFBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000010707795 471740183 /nfs/dbraw/zinc/74/01/83/471740183.db2.gz LRACVENBKOBFKH-UHFFFAOYSA-N 0 1 339.395 2.943 20 5 EFBDMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F ZINC000038594601 472019928 /nfs/dbraw/zinc/01/99/28/472019928.db2.gz ITGRUZXITLAACE-UHFFFAOYSA-N 0 1 326.305 2.543 20 5 EFBDMN C[C@@H](c1ccccn1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068269010 472161100 /nfs/dbraw/zinc/16/11/00/472161100.db2.gz KSVCPZALPJJLEE-JTQLQIEISA-N 0 1 325.328 2.699 20 5 EFBDMN CCN(Cc1ccccn1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000084366451 472171187 /nfs/dbraw/zinc/17/11/87/472171187.db2.gz AKABEWVJUHAFDK-UHFFFAOYSA-N 0 1 325.328 2.528 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000027592153 472186584 /nfs/dbraw/zinc/18/65/84/472186584.db2.gz TXQLRMZOIQIOPF-GFCCVEGCSA-N 0 1 337.376 2.828 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)OC(C)(C)C1 ZINC000068476158 472198012 /nfs/dbraw/zinc/19/80/12/472198012.db2.gz AHSGOQWKFQMXCJ-CYBMUJFWSA-N 0 1 335.404 2.731 20 5 EFBDMN Cc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000043147877 472205478 /nfs/dbraw/zinc/20/54/78/472205478.db2.gz GXHRWZBCVLAXTP-UHFFFAOYSA-N 0 1 332.404 2.995 20 5 EFBDMN Cc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000028065539 472212157 /nfs/dbraw/zinc/21/21/57/472212157.db2.gz ZBDHOMXCKICTEU-UHFFFAOYSA-N 0 1 328.303 2.849 20 5 EFBDMN COc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000028781208 472236478 /nfs/dbraw/zinc/23/64/78/472236478.db2.gz TXMFPCIYHMGHKL-UHFFFAOYSA-N 0 1 344.295 2.682 20 5 EFBDMN 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EFBDMN Cc1ccc([C@@H](C)NC(=O)c2[nH]nc3c2CCCC3)cc1[N+](=O)[O-] ZINC000177850543 473443932 /nfs/dbraw/zinc/44/39/32/473443932.db2.gz KMYATDXUGMLFKB-LLVKDONJSA-N 0 1 328.372 2.996 20 5 EFBDMN C[C@@H](C(=O)N1CCCC[C@H]1c1nnc[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000185566911 473458694 /nfs/dbraw/zinc/45/86/94/473458694.db2.gz GRIVQUCNQCPOBQ-YGRLFVJLSA-N 0 1 347.350 2.709 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3ccc(OC)cc3)C2)c1[N+](=O)[O-] ZINC000171806842 473461909 /nfs/dbraw/zinc/46/19/09/473461909.db2.gz HOAHWETYYJDOJA-LBPRGKRZSA-N 0 1 344.371 2.519 20 5 EFBDMN C[N@@H+](CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000164042569 473477206 /nfs/dbraw/zinc/47/72/06/473477206.db2.gz DRANSACNYNLHID-UHFFFAOYSA-N 0 1 343.383 2.552 20 5 EFBDMN C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1CO ZINC000191177234 473498380 /nfs/dbraw/zinc/49/83/80/473498380.db2.gz ZQGDABJQHRZPBA-XHDPSFHLSA-N 0 1 333.413 2.921 20 5 EFBDMN C[C@@H](Cc1ccc(O)cc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000151936039 473509474 /nfs/dbraw/zinc/50/94/74/473509474.db2.gz AMIXDWNXXAOBDX-JTQLQIEISA-N 0 1 340.339 2.538 20 5 EFBDMN Cc1[nH]ncc1CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165728628 473515956 /nfs/dbraw/zinc/51/59/56/473515956.db2.gz HUAVJPCCLIXCNJ-UHFFFAOYSA-N 0 1 326.154 2.704 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1Cc2ccccc2C1 ZINC000165932659 473518995 /nfs/dbraw/zinc/51/89/95/473518995.db2.gz WLFXOVLAAMMRRM-UHFFFAOYSA-N 0 1 339.395 2.941 20 5 EFBDMN CCc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000172092211 473520452 /nfs/dbraw/zinc/52/04/52/473520452.db2.gz RLWSQVHWYIFLDU-YPMHNXCESA-N 0 1 328.372 2.899 20 5 EFBDMN CCOC(=O)CCCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172173428 473541920 /nfs/dbraw/zinc/54/19/20/473541920.db2.gz KEANSLSTCKIRFC-UHFFFAOYSA-N 0 1 349.431 2.840 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC000172182210 473543211 /nfs/dbraw/zinc/54/32/11/473543211.db2.gz LSRPSPYVEFKAFU-UHFFFAOYSA-N 0 1 328.296 2.982 20 5 EFBDMN C[C@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)C1 ZINC000127553377 473625203 /nfs/dbraw/zinc/62/52/03/473625203.db2.gz GJONRYUEQDXOMP-NWDGAFQWSA-N 0 1 349.387 2.630 20 5 EFBDMN C[C@@H]1CN(CCCNc2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000153555762 473629583 /nfs/dbraw/zinc/62/95/83/473629583.db2.gz VAWHSJJFHOQYQG-PHIMTYICSA-N 0 1 328.800 2.554 20 5 EFBDMN CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000154053052 473664323 /nfs/dbraw/zinc/66/43/23/473664323.db2.gz NEEKCTVABODOJU-QGZVFWFLSA-N 0 1 346.431 2.581 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2ccccc2OC)c1[N+](=O)[O-] ZINC000192509888 473686750 /nfs/dbraw/zinc/68/67/50/473686750.db2.gz ULBXGHONFPMYQS-ZDUSSCGKSA-N 0 1 344.371 2.866 20 5 EFBDMN CC(C)CN1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000179553921 473694296 /nfs/dbraw/zinc/69/42/96/473694296.db2.gz ZFKMJWUKANPEMC-UHFFFAOYSA-N 0 1 342.399 2.557 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)Cc2ccccc2OC)c1[N+](=O)[O-] ZINC000192645134 473699000 /nfs/dbraw/zinc/69/90/00/473699000.db2.gz KRVCJMDOLXTADR-NSHDSACASA-N 0 1 346.387 2.592 20 5 EFBDMN O=C(NCCCOCCc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269200674 473730351 /nfs/dbraw/zinc/73/03/51/473730351.db2.gz REPBUCMXLMPJNW-UHFFFAOYSA-N 0 1 344.367 2.680 20 5 EFBDMN Cc1csc([C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C2CC2)n1 ZINC000269264709 473754741 /nfs/dbraw/zinc/75/47/41/473754741.db2.gz CSQGAEOZAXJGSB-CYBMUJFWSA-N 0 1 333.369 2.946 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccc(Cl)s2)c1[N+](=O)[O-] ZINC000263641588 473788132 /nfs/dbraw/zinc/78/81/32/473788132.db2.gz CBGHLNPTXJQHOP-UHFFFAOYSA-N 0 1 328.781 2.867 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000269401785 473800039 /nfs/dbraw/zinc/80/00/39/473800039.db2.gz TUNKXEPYNUQDMF-CYBMUJFWSA-N 0 1 344.371 2.655 20 5 EFBDMN CCOC[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246265523 473810763 /nfs/dbraw/zinc/81/07/63/473810763.db2.gz VFNNZCDCOITMMT-ZIAGYGMSSA-N 0 1 335.404 2.589 20 5 EFBDMN Cc1[nH]ncc1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000274429942 473820002 /nfs/dbraw/zinc/82/00/02/473820002.db2.gz VRBSJVWIEUJZRK-UHFFFAOYSA-N 0 1 329.360 2.501 20 5 EFBDMN CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000281728813 473821298 /nfs/dbraw/zinc/82/12/98/473821298.db2.gz ISZPEAAEDDXZRK-OAHLLOKOSA-N 0 1 344.371 2.884 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000269538034 473826896 /nfs/dbraw/zinc/82/68/96/473826896.db2.gz UQBABQLAKKOOAG-NWDGAFQWSA-N 0 1 348.403 2.805 20 5 EFBDMN O=C(CCc1cnc[nH]1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000281769010 473832053 /nfs/dbraw/zinc/83/20/53/473832053.db2.gz IBIFGMCDEUOIQT-UHFFFAOYSA-N 0 1 342.277 2.586 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCOC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000269557867 473833037 /nfs/dbraw/zinc/83/30/37/473833037.db2.gz ZQVMNQHMKAUZDP-UHFFFAOYSA-N 0 1 336.392 2.617 20 5 EFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(N2CCCNC2=O)CC1 ZINC000269677432 473857437 /nfs/dbraw/zinc/85/74/37/473857437.db2.gz CWTKPCNIWYYLQM-CYBMUJFWSA-N 0 1 332.404 2.536 20 5 EFBDMN COc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000269684510 473860435 /nfs/dbraw/zinc/86/04/35/473860435.db2.gz NKESBRMIDWUFBO-HNNXBMFYSA-N 0 1 347.415 2.627 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(Cc2ccncc2)CC1 ZINC000288174256 473866284 /nfs/dbraw/zinc/86/62/84/473866284.db2.gz QMEFEDBJNCZPIY-UHFFFAOYSA-N 0 1 344.419 2.591 20 5 EFBDMN Cc1ccccc1CNC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427987 473875470 /nfs/dbraw/zinc/87/54/70/473875470.db2.gz MNPOEDCYQKQUAO-AWEZNQCLSA-N 0 1 327.384 2.870 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(CC2CC2)CC1 ZINC000281925309 473886827 /nfs/dbraw/zinc/88/68/27/473886827.db2.gz KDABKCFNLBGWSU-UHFFFAOYSA-N 0 1 348.403 2.553 20 5 EFBDMN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCC2 ZINC000194454640 473900764 /nfs/dbraw/zinc/90/07/64/473900764.db2.gz JDEPWZCIOUZRCK-LSDHHAIUSA-N 0 1 335.360 2.940 20 5 EFBDMN Cc1cc(NC2CCN(Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000173913945 473957370 /nfs/dbraw/zinc/95/73/70/473957370.db2.gz YVGZVUPPYCQXFG-UHFFFAOYSA-N 0 1 327.388 2.770 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(C/C=C/Cl)CC3)nc2c1 ZINC000274844531 473984731 /nfs/dbraw/zinc/98/47/31/473984731.db2.gz PHKHSNDKBFQXTR-ORCRQEGFSA-N 0 1 335.795 2.736 20 5 EFBDMN COCCOC[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000174100993 473986270 /nfs/dbraw/zinc/98/62/70/473986270.db2.gz HZBJAQGIFHMORW-LBPRGKRZSA-N 0 1 328.796 2.733 20 5 EFBDMN COc1cc(CNc2ccc(C(=O)N(C)C)cc2)cc([N+](=O)[O-])c1O ZINC000195063377 473999576 /nfs/dbraw/zinc/99/95/76/473999576.db2.gz XMCMYNHTTAKDNW-UHFFFAOYSA-N 0 1 345.355 2.623 20 5 EFBDMN CN(CCCn1ccnc1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181103545 474006118 /nfs/dbraw/zinc/00/61/18/474006118.db2.gz VNHQEXOSSSJOHA-UHFFFAOYSA-N 0 1 341.371 2.968 20 5 EFBDMN COc1cc(CNc2nnc(CC(C)C)s2)cc([N+](=O)[O-])c1O ZINC000181543603 474047696 /nfs/dbraw/zinc/04/76/96/474047696.db2.gz FMNAJOJRBRCGOH-UHFFFAOYSA-N 0 1 338.389 2.971 20 5 EFBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(O)c1 ZINC000181559603 474048751 /nfs/dbraw/zinc/04/87/51/474048751.db2.gz WSXRQLPIPHFBNS-SJKOYZFVSA-N 0 1 341.367 2.757 20 5 EFBDMN Cc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000174507039 474053660 /nfs/dbraw/zinc/05/36/60/474053660.db2.gz KFOJYVKDOIKMBA-UHFFFAOYSA-N 0 1 342.330 2.891 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000264598006 474054747 /nfs/dbraw/zinc/05/47/47/474054747.db2.gz IFIFORCMFOBFRM-UHFFFAOYSA-N 0 1 338.314 2.821 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CCOC1 ZINC000247147665 474075108 /nfs/dbraw/zinc/07/51/08/474075108.db2.gz UCNIGMZVYJKQCS-VXGBXAGGSA-N 0 1 332.360 2.674 20 5 EFBDMN Cc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000198152736 474104553 /nfs/dbraw/zinc/10/45/53/474104553.db2.gz UCQZDCMMGODECQ-MRXNPFEDSA-N 0 1 339.395 2.908 20 5 EFBDMN Cc1ccc2nc(CNC(=O)CNc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000174886890 474113016 /nfs/dbraw/zinc/11/30/16/474113016.db2.gz NBYRBBUOCPKGNT-UHFFFAOYSA-N 0 1 339.355 2.508 20 5 EFBDMN CO[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275256851 474121790 /nfs/dbraw/zinc/12/17/90/474121790.db2.gz RITNNAMHBWXDCF-KBPBESRZSA-N 0 1 332.360 2.692 20 5 EFBDMN CCc1n[nH]c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000182252195 474134547 /nfs/dbraw/zinc/13/45/47/474134547.db2.gz ZEZFHFREMJUIEN-UHFFFAOYSA-N 0 1 329.238 2.546 20 5 EFBDMN CCc1nc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000182252195 474134555 /nfs/dbraw/zinc/13/45/55/474134555.db2.gz ZEZFHFREMJUIEN-UHFFFAOYSA-N 0 1 329.238 2.546 20 5 EFBDMN COCCCn1nccc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000282734917 474174244 /nfs/dbraw/zinc/17/42/44/474174244.db2.gz SVFYUDQQDBMSQM-CQSZACIVSA-N 0 1 332.404 2.987 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n[nH]1 ZINC000270597867 474184375 /nfs/dbraw/zinc/18/43/75/474184375.db2.gz COXHXFZSJUWRNI-VIFPVBQESA-N 0 1 342.359 2.809 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000182495206 474190326 /nfs/dbraw/zinc/19/03/26/474190326.db2.gz ZVXRSTGQRACLAX-SECBINFHSA-N 0 1 337.405 2.603 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCSC[C@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000265391511 474197371 /nfs/dbraw/zinc/19/73/71/474197371.db2.gz UVWOYYCXBMUGLU-ZDUSSCGKSA-N 0 1 346.412 2.865 20 5 EFBDMN CC[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000247672108 474197514 /nfs/dbraw/zinc/19/75/14/474197514.db2.gz QAVBLSXZJNEGCZ-UKRRQHHQSA-N 0 1 335.404 2.731 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000270669179 474213082 /nfs/dbraw/zinc/21/30/82/474213082.db2.gz OOSXDRNTPMHVII-GHMZBOCLSA-N 0 1 346.391 2.705 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCS[C@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000265473244 474228154 /nfs/dbraw/zinc/22/81/54/474228154.db2.gz JKLIRFJYDVEKCO-IAQYHMDHSA-N 0 1 346.412 2.945 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n[nH]1 ZINC000270735348 474242522 /nfs/dbraw/zinc/24/25/22/474242522.db2.gz KILLTYRLSCVTIN-SECBINFHSA-N 0 1 342.359 2.809 20 5 EFBDMN CNC(=O)CCCN(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289395421 474251866 /nfs/dbraw/zinc/25/18/66/474251866.db2.gz RPROIIATEFYSRS-UHFFFAOYSA-N 0 1 334.203 2.860 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000270769042 474257973 /nfs/dbraw/zinc/25/79/73/474257973.db2.gz RMAZCJUIFQTINI-SSDOTTSWSA-N 0 1 338.755 2.811 20 5 EFBDMN Cc1cnc([C@H](C)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000175627784 474267710 /nfs/dbraw/zinc/26/77/10/474267710.db2.gz AOYQMAXQNUSXOH-QMMMGPOBSA-N 0 1 345.377 2.538 20 5 EFBDMN Cc1cnc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000270815458 474278137 /nfs/dbraw/zinc/27/81/37/474278137.db2.gz QOSXTKHTEDGSLU-LBPRGKRZSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1cnc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])c1 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Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2O)c1C ZINC000320773007 474916797 /nfs/dbraw/zinc/91/67/97/474916797.db2.gz ZUNHVUMBOGVQHE-UHFFFAOYSA-N 0 1 340.332 2.857 20 5 EFBDMN Cc1cc(C)cc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273504295 474935012 /nfs/dbraw/zinc/93/50/12/474935012.db2.gz PTDIVHPTIORRGT-UHFFFAOYSA-N 0 1 348.424 2.775 20 5 EFBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCN(C)C1 ZINC000293371288 474949644 /nfs/dbraw/zinc/94/96/44/474949644.db2.gz PCNKOVBPRTTZBH-NSHDSACASA-N 0 1 345.321 2.780 20 5 EFBDMN Cc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1F ZINC000324372069 474966794 /nfs/dbraw/zinc/96/67/94/474966794.db2.gz JVNVBNKUCUMWGL-UHFFFAOYSA-N 0 1 342.323 2.660 20 5 EFBDMN Cc1n[nH]c([C@@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000268424999 474971496 /nfs/dbraw/zinc/97/14/96/474971496.db2.gz DPHBIGXIFKTOMX-LLVKDONJSA-N 0 1 342.359 2.542 20 5 EFBDMN CSC[C@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000292373088 474988943 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/nfs/dbraw/zinc/34/95/44/475349544.db2.gz IBXDSOUQBGFCEC-TZMCWYRMSA-N 0 1 339.461 2.764 20 5 EFBDMN O=[N+]([O-])c1ccc(CNCc2ccccc2Cn2cncn2)c(F)c1 ZINC000337820552 475351434 /nfs/dbraw/zinc/35/14/34/475351434.db2.gz ROXALBDSLILFKD-UHFFFAOYSA-N 0 1 341.346 2.664 20 5 EFBDMN CCc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000345683705 475363090 /nfs/dbraw/zinc/36/30/90/475363090.db2.gz LDZCKEXEFSGLEB-OAHLLOKOSA-N 0 1 332.385 2.768 20 5 EFBDMN CCN(CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000345694025 475372822 /nfs/dbraw/zinc/37/28/22/475372822.db2.gz YRCWSCOQXODCJY-MRXNPFEDSA-N 0 1 335.429 2.653 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000331715442 475387836 /nfs/dbraw/zinc/38/78/36/475387836.db2.gz HPYXMFWLVQRNGG-CQSZACIVSA-N 0 1 328.372 2.721 20 5 EFBDMN Cc1cc(F)c(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000296614997 475395181 /nfs/dbraw/zinc/39/51/81/475395181.db2.gz BBVPHCUUCKVURV-LLVKDONJSA-N 0 1 333.323 2.965 20 5 EFBDMN C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCOC1 ZINC000348145958 475425253 /nfs/dbraw/zinc/42/52/53/475425253.db2.gz MKSWCRNCZZCGAH-YPMHNXCESA-N 0 1 332.360 2.550 20 5 EFBDMN O=[N+]([O-])c1cnn(CCSc2nc(C=Cc3ccccc3)n[nH]2)c1 ZINC000348155518 475434193 /nfs/dbraw/zinc/43/41/93/475434193.db2.gz CWXMAWVTKVRZMW-SREVYHEPSA-N 0 1 342.384 2.872 20 5 EFBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cn[nH]c1-c1ccccn1 ZINC000352609449 475456965 /nfs/dbraw/zinc/45/69/65/475456965.db2.gz HXOJFUKCBOSCFH-UHFFFAOYSA-N 0 1 337.339 2.652 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000296748327 475459662 /nfs/dbraw/zinc/45/96/62/475459662.db2.gz AZZCBNSCANPLIW-NSHDSACASA-N 0 1 325.796 2.805 20 5 EFBDMN CN1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000341980569 475472575 /nfs/dbraw/zinc/47/25/75/475472575.db2.gz AJJWGIWJNSXPRS-IBGZPJMESA-N 0 1 325.412 2.954 20 5 EFBDMN O=[N+]([O-])c1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)c(Cl)c1 ZINC000339756200 475473259 /nfs/dbraw/zinc/47/32/59/475473259.db2.gz CHAFWLOMKVHILM-CVEARBPZSA-N 0 1 340.807 2.658 20 5 EFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2sccc2[C@@H]1c1cccs1 ZINC000361527338 475521881 /nfs/dbraw/zinc/52/18/81/475521881.db2.gz YSEFZCDPIBQMEI-JTNHKYCSSA-N 0 1 334.422 2.949 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000296924510 475537410 /nfs/dbraw/zinc/53/74/10/475537410.db2.gz ZHUJYLVYBLPLBM-TXEJJXNPSA-N 0 1 336.392 2.550 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H](C)CC)CC2)c1 ZINC000296967696 475556955 /nfs/dbraw/zinc/55/69/55/475556955.db2.gz OLLGPSYXLZRMLM-CYBMUJFWSA-N 0 1 335.404 2.550 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@](CO)(c2ccccc2)C1 ZINC000361590761 475575335 /nfs/dbraw/zinc/57/53/35/475575335.db2.gz JYHHMQFDTRTZMS-SFHVURJKSA-N 0 1 330.359 2.870 20 5 EFBDMN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCN1C ZINC000346427601 475600772 /nfs/dbraw/zinc/60/07/72/475600772.db2.gz VGVKERQVNGFLRM-ZANVPECISA-N 0 1 345.321 2.826 20 5 EFBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccsc1)N(C)C ZINC000339907122 475605750 /nfs/dbraw/zinc/60/57/50/475605750.db2.gz WGKGXWGRXMISMF-HNNXBMFYSA-N 0 1 348.428 2.731 20 5 EFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000332345598 475609313 /nfs/dbraw/zinc/60/93/13/475609313.db2.gz YEUIXQBCKHEFGX-UKRRQHHQSA-N 0 1 347.415 2.670 20 5 EFBDMN COC(=O)COc1ccc(CN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000355045633 475622265 /nfs/dbraw/zinc/62/22/65/475622265.db2.gz ARSYLQSWTSHPPD-UHFFFAOYSA-N 0 1 336.388 2.769 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000358376057 475629115 /nfs/dbraw/zinc/62/91/15/475629115.db2.gz RKWORHSHJZGLHG-ONGXEEELSA-N 0 1 336.310 2.957 20 5 EFBDMN COc1ccc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000332440422 475638870 /nfs/dbraw/zinc/63/88/70/475638870.db2.gz ISKOOEAJOMMZNP-UHFFFAOYSA-N 0 1 344.371 2.655 20 5 EFBDMN COc1cccc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)c1[N+](=O)[O-] ZINC000332466736 475644935 /nfs/dbraw/zinc/64/49/35/475644935.db2.gz SGGSJOWTCNZUHF-UHFFFAOYSA-N 0 1 344.371 2.655 20 5 EFBDMN COc1ccc(OCCN2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000361703435 475679694 /nfs/dbraw/zinc/67/96/94/475679694.db2.gz SIUWTCCFLURDGL-UHFFFAOYSA-N 0 1 330.331 2.959 20 5 EFBDMN CCc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000342991771 475679736 /nfs/dbraw/zinc/67/97/36/475679736.db2.gz CWCXBOLWMGOGHU-UHFFFAOYSA-N 0 1 329.238 2.546 20 5 EFBDMN CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000342991771 475679746 /nfs/dbraw/zinc/67/97/46/475679746.db2.gz CWCXBOLWMGOGHU-UHFFFAOYSA-N 0 1 329.238 2.546 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000342995669 475682889 /nfs/dbraw/zinc/68/28/89/475682889.db2.gz CURVXBKRUSSNEB-ZJUUUORDSA-N 0 1 349.416 2.633 20 5 EFBDMN COc1cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000358499780 475728204 /nfs/dbraw/zinc/72/82/04/475728204.db2.gz UAYSVNYTWBBRMR-CHWSQXEVSA-N 0 1 349.431 2.905 20 5 EFBDMN O=C(NCc1cnc2ccccc2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000358521202 475742215 /nfs/dbraw/zinc/74/22/15/475742215.db2.gz XMDCIFJSBLVFAM-UHFFFAOYSA-N 0 1 347.334 2.949 20 5 EFBDMN CCN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCCCCC1 ZINC000353182096 475749082 /nfs/dbraw/zinc/74/90/82/475749082.db2.gz NLXBUFFVIGXHPA-UHFFFAOYSA-N 0 1 333.432 2.862 20 5 EFBDMN C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000297509777 475788202 /nfs/dbraw/zinc/78/82/02/475788202.db2.gz YVVWUDBEASEGBF-KSSFIOAISA-N 0 1 346.431 2.783 20 5 EFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000338327464 475791718 /nfs/dbraw/zinc/79/17/18/475791718.db2.gz WQASWOVRSRVGMN-JSGCOSHPSA-N 0 1 345.403 2.984 20 5 EFBDMN Cc1ccc2c(c1)CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000361843097 475801899 /nfs/dbraw/zinc/80/18/99/475801899.db2.gz OEDDREHQLMVICY-KRWDZBQOSA-N 0 1 342.395 2.701 20 5 EFBDMN C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350959 475815123 /nfs/dbraw/zinc/81/51/23/475815123.db2.gz RJKRFEXGERNYBS-BZUAXINKSA-N 0 1 347.459 2.962 20 5 EFBDMN COc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000340173593 475823751 /nfs/dbraw/zinc/82/37/51/475823751.db2.gz SIVOQTFWTHIPPM-CQSZACIVSA-N 0 1 328.372 2.685 20 5 EFBDMN Nc1c(F)c(N2CCN(CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000348721894 475834457 /nfs/dbraw/zinc/83/44/57/475834457.db2.gz PNOBAJBCKKSCNL-UHFFFAOYSA-N 0 1 344.390 2.681 20 5 EFBDMN CN(CCc1cccc([N+](=O)[O-])c1)CC[S@](=O)c1ccccc1 ZINC000338374692 475839228 /nfs/dbraw/zinc/83/92/28/475839228.db2.gz DSOOVKNILFJKFM-QHCPKHFHSA-N 0 1 332.425 2.877 20 5 EFBDMN O=[N+]([O-])c1ccc(CCN2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340208375 475858194 /nfs/dbraw/zinc/85/81/94/475858194.db2.gz DOIAMYUEGWQUSG-ZIAGYGMSSA-N 0 1 332.322 2.915 20 5 EFBDMN O=[N+]([O-])c1ccc(CCN2CCCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340208367 475858684 /nfs/dbraw/zinc/85/86/84/475858684.db2.gz DOIAMYUEGWQUSG-UONOGXRCSA-N 0 1 332.322 2.915 20 5 EFBDMN Cc1ccsc1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000358685804 475859910 /nfs/dbraw/zinc/85/99/10/475859910.db2.gz RAYUORPGAILMGZ-UHFFFAOYSA-N 0 1 330.369 2.814 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000340210990 475860670 /nfs/dbraw/zinc/86/06/70/475860670.db2.gz OQDWHGBNAMAJCJ-KGLIPLIRSA-N 0 1 348.321 2.751 20 5 EFBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cncs1 ZINC000338422240 475888199 /nfs/dbraw/zinc/88/81/99/475888199.db2.gz JMZJFMQYMKXSNK-ZETCQYMHSA-N 0 1 347.805 2.744 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358728927 475888781 /nfs/dbraw/zinc/88/87/81/475888781.db2.gz WVTVSXNFUXLFNF-IIAWOOMASA-N 0 1 333.432 2.715 20 5 EFBDMN CC[C@@H](NC[C@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346825733 475890679 /nfs/dbraw/zinc/89/06/79/475890679.db2.gz ILRJRTXXMYWHIU-HUUCEWRRSA-N 0 1 326.418 2.603 20 5 EFBDMN COCC1(C)CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000358741105 475897883 /nfs/dbraw/zinc/89/78/83/475897883.db2.gz DKVNYBXNQBHFLJ-UHFFFAOYSA-N 0 1 346.387 2.893 20 5 EFBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000353400512 475938987 /nfs/dbraw/zinc/93/89/87/475938987.db2.gz GLHBXBDGLZFTTB-NSHDSACASA-N 0 1 327.340 2.777 20 5 EFBDMN C[C@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340316925 475940436 /nfs/dbraw/zinc/94/04/36/475940436.db2.gz OTXQLAVYTQHSCS-JTQLQIEISA-N 0 1 345.321 2.780 20 5 EFBDMN CCO[C@H]1COCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000362020425 475942119 /nfs/dbraw/zinc/94/21/19/475942119.db2.gz XKEDOZVSYHTZFR-HOTGVXAUSA-N 0 1 347.371 2.533 20 5 EFBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CC12CCCC2 ZINC000355472917 475968397 /nfs/dbraw/zinc/96/83/97/475968397.db2.gz LVCGFABPNQZRIR-GFCCVEGCSA-N 0 1 327.344 2.899 20 5 EFBDMN Cc1c(CN[C@@H](c2cccs2)c2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000340366311 475982939 /nfs/dbraw/zinc/98/29/39/475982939.db2.gz PJJDXKLKDSWPHL-AWEZNQCLSA-N 0 1 329.385 2.962 20 5 EFBDMN CN(C)C(=O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000340410741 476017437 /nfs/dbraw/zinc/01/74/37/476017437.db2.gz YYZHPSLFEOPDLD-UHFFFAOYSA-N 0 1 342.399 2.541 20 5 EFBDMN Cc1ccc(CN[C@@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000355544817 476021695 /nfs/dbraw/zinc/02/16/95/476021695.db2.gz INNVTRUHXVATHE-AWEZNQCLSA-N 0 1 339.395 2.924 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1(O)CCC1 ZINC000353509549 476031902 /nfs/dbraw/zinc/03/19/02/476031902.db2.gz HMCFUROHBLYJIV-LLVKDONJSA-N 0 1 332.360 2.553 20 5 EFBDMN COc1c(C(=O)NC[C@@H](c2cccs2)N(C)C)cccc1[N+](=O)[O-] ZINC000353515559 476036781 /nfs/dbraw/zinc/03/67/81/476036781.db2.gz PPFIARKCNPDECH-ZDUSSCGKSA-N 0 1 349.412 2.698 20 5 EFBDMN COCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000362163215 476041951 /nfs/dbraw/zinc/04/19/51/476041951.db2.gz OOHHIWSEABGPMS-DZGCQCFKSA-N 0 1 349.431 2.979 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]1Cc1ccccc1 ZINC000358939059 476055738 /nfs/dbraw/zinc/05/57/38/476055738.db2.gz TXJIMQDUEVSUPY-CYBMUJFWSA-N 0 1 336.351 2.928 20 5 EFBDMN CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000340508680 476073413 /nfs/dbraw/zinc/07/34/13/476073413.db2.gz YUQYGTWPCMNPBD-AAEUAGOBSA-N 0 1 346.836 2.694 20 5 EFBDMN Cc1nc2ccc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)cc2[nH]1 ZINC000338639637 476075355 /nfs/dbraw/zinc/07/53/55/476075355.db2.gz RHKVPCDEPZACBD-UHFFFAOYSA-N 0 1 342.359 2.622 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000350185883 476086671 /nfs/dbraw/zinc/08/66/71/476086671.db2.gz YGXTUOMPCGNBQE-INIZCTEOSA-N 0 1 333.432 2.671 20 5 EFBDMN Cc1cnc(N2CCN(C)[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000343648822 476097422 /nfs/dbraw/zinc/09/74/22/476097422.db2.gz MKQIMHJYQYDJKI-MRXNPFEDSA-N 0 1 326.400 2.661 20 5 EFBDMN Cc1ccnc(N2CCN(C)[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000343695289 476104013 /nfs/dbraw/zinc/10/40/13/476104013.db2.gz CTWDTUGNYYHHAY-INIZCTEOSA-N 0 1 326.400 2.661 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000343777704 476112686 /nfs/dbraw/zinc/11/26/86/476112686.db2.gz IQUPVQZDPYLYQI-JSGCOSHPSA-N 0 1 337.445 2.518 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)CN(C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000343777704 476112693 /nfs/dbraw/zinc/11/26/93/476112693.db2.gz IQUPVQZDPYLYQI-JSGCOSHPSA-N 0 1 337.445 2.518 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)n[nH]1 ZINC000357058951 476195091 /nfs/dbraw/zinc/19/50/91/476195091.db2.gz RHFXPZJNJGDDAY-VHSXEESVSA-N 0 1 347.375 2.726 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)n[nH]1 ZINC000357058947 476195622 /nfs/dbraw/zinc/19/56/22/476195622.db2.gz RHFXPZJNJGDDAY-NXEZZACHSA-N 0 1 347.375 2.726 20 5 EFBDMN CC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000350478150 476202828 /nfs/dbraw/zinc/20/28/28/476202828.db2.gz MWYGJVYPGJGMBA-UHFFFAOYSA-N 0 1 338.316 2.737 20 5 EFBDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000350485400 476208142 /nfs/dbraw/zinc/20/81/42/476208142.db2.gz WKVKJVIWNGTZOC-CVEARBPZSA-N 0 1 349.431 2.695 20 5 EFBDMN O=C([O-])[C@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCSC1 ZINC000340690744 476208543 /nfs/dbraw/zinc/20/85/43/476208543.db2.gz MGIWHAGNZLVEQP-INIZCTEOSA-N 0 1 348.380 2.905 20 5 EFBDMN CC[C@@]1(C)CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000362385026 476210215 /nfs/dbraw/zinc/21/02/15/476210215.db2.gz QIKUVHGYXHTJFQ-SFHVURJKSA-N 0 1 331.416 2.996 20 5 EFBDMN COCC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000357089069 476221752 /nfs/dbraw/zinc/22/17/52/476221752.db2.gz NATHKWRTGULVCZ-CYBMUJFWSA-N 0 1 344.327 2.572 20 5 EFBDMN O=[N+]([O-])c1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)cs1 ZINC000344323190 476250227 /nfs/dbraw/zinc/25/02/27/476250227.db2.gz ZFMAMBPDWOEPPW-GXTWGEPZSA-N 0 1 342.367 2.983 20 5 EFBDMN CC1(C)CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000303949305 476252734 /nfs/dbraw/zinc/25/27/34/476252734.db2.gz VGPIEAFDYKOHLU-UHFFFAOYSA-N 0 1 331.416 2.996 20 5 EFBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C)CC1 ZINC000357175571 476277551 /nfs/dbraw/zinc/27/75/51/476277551.db2.gz PCGUDZXPZSKAGE-UHFFFAOYSA-N 0 1 337.445 2.875 20 5 EFBDMN CNC(=O)COc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000353813833 476285621 /nfs/dbraw/zinc/28/56/21/476285621.db2.gz HXKILINRPSBNEZ-ZDUSSCGKSA-N 0 1 343.383 2.570 20 5 EFBDMN CNC(=O)COc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000353813832 476285880 /nfs/dbraw/zinc/28/58/80/476285880.db2.gz HXKILINRPSBNEZ-CYBMUJFWSA-N 0 1 343.383 2.570 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(F)cc1O ZINC000360604901 476314827 /nfs/dbraw/zinc/31/48/27/476314827.db2.gz OBFKJFKYYKSTIT-UHFFFAOYSA-N 0 1 340.332 2.857 20 5 EFBDMN C[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360647138 476328390 /nfs/dbraw/zinc/32/83/90/476328390.db2.gz NTPWTYGLONMJNA-CQSZACIVSA-N 0 1 342.399 2.709 20 5 EFBDMN O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000357382150 476352144 /nfs/dbraw/zinc/35/21/44/476352144.db2.gz FOYQOPRHYXBPRO-LRDDRELGSA-N 0 1 336.351 2.832 20 5 EFBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(Cn3cnc4ccccc43)no2)c1 ZINC000357479458 476407797 /nfs/dbraw/zinc/40/77/97/476407797.db2.gz GXMCVRFIARSRDZ-UHFFFAOYSA-N 0 1 337.295 2.748 20 5 EFBDMN CCOc1cc(NC[C@@H]2CN(CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000362826906 476429311 /nfs/dbraw/zinc/42/93/11/476429311.db2.gz OZGZHFANBLHYER-OAHLLOKOSA-N 0 1 337.420 2.762 20 5 EFBDMN Cc1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000363664958 476484860 /nfs/dbraw/zinc/48/48/60/476484860.db2.gz LKZVXRWNEPYCLK-UGSOOPFHSA-N 0 1 343.383 2.623 20 5 EFBDMN CNc1c(C(=O)N2CCN(C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000360936764 476488080 /nfs/dbraw/zinc/48/80/80/476488080.db2.gz GWRXFNKKPOCIGR-UHFFFAOYSA-N 0 1 346.431 2.727 20 5 EFBDMN CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354199671 476496054 /nfs/dbraw/zinc/49/60/54/476496054.db2.gz GVTDKOJPIAAKKC-CYBMUJFWSA-N 0 1 335.404 2.541 20 5 EFBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000362985337 476514299 /nfs/dbraw/zinc/51/42/99/476514299.db2.gz FIUPGMURWUBVAP-KZNAEPCWSA-N 0 1 339.395 2.993 20 5 EFBDMN COC(=O)COc1ccc(CN2CCC(C)=C(C)C2)cc1[N+](=O)[O-] ZINC000361115833 476611182 /nfs/dbraw/zinc/61/11/82/476611182.db2.gz YLMOXVBVWKLZIH-UHFFFAOYSA-N 0 1 334.372 2.689 20 5 EFBDMN CNc1c(C(=O)NC[C@H](c2cccs2)N(C)C)cccc1[N+](=O)[O-] ZINC000361147919 476636202 /nfs/dbraw/zinc/63/62/02/476636202.db2.gz YGOYLORVMFCUDN-CYBMUJFWSA-N 0 1 348.428 2.731 20 5 EFBDMN COC[C@H]1CCCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000375110954 476679913 /nfs/dbraw/zinc/67/99/13/476679913.db2.gz APOQOPMENLLRSS-ZDUSSCGKSA-N 0 1 346.387 2.893 20 5 EFBDMN CN1Cc2ccccc2[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000378267587 476688513 /nfs/dbraw/zinc/68/85/13/476688513.db2.gz DIUYVLDECKKBDY-LBPRGKRZSA-N 0 1 329.385 2.903 20 5 EFBDMN Cc1[nH]ncc1C1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000375199529 476714314 /nfs/dbraw/zinc/71/43/14/476714314.db2.gz HXRPRFORLSPOOP-UHFFFAOYSA-N 0 1 343.387 2.716 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@](O)(C2CC2)C1 ZINC000365850082 476730739 /nfs/dbraw/zinc/73/07/39/476730739.db2.gz RHHQUIVNAICALZ-PIGZYNQJSA-N 0 1 344.371 2.553 20 5 EFBDMN CCC1(CC)CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000445654228 476757385 /nfs/dbraw/zinc/75/73/85/476757385.db2.gz KKGFWKYRDDHSHP-OAHLLOKOSA-N 0 1 345.399 2.739 20 5 EFBDMN CC(C)(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1(O)CCCC1 ZINC000456858146 476764859 /nfs/dbraw/zinc/76/48/59/476764859.db2.gz JWXRJVNVYCTQBY-UHFFFAOYSA-N 0 1 346.387 2.532 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452012316 476775399 /nfs/dbraw/zinc/77/53/99/476775399.db2.gz LWDIMFAKZVCAFU-ZIAGYGMSSA-N 0 1 334.420 2.700 20 5 EFBDMN CCCC(=O)NC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430206583 476780539 /nfs/dbraw/zinc/78/05/39/476780539.db2.gz WYRZYOOBIIMGEE-CQSZACIVSA-N 0 1 349.431 2.732 20 5 EFBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccccc1S(C)(=O)=O ZINC000414235205 476876954 /nfs/dbraw/zinc/87/69/54/476876954.db2.gz GURNCLUWLITGTJ-CYBMUJFWSA-N 0 1 348.424 2.719 20 5 EFBDMN Cc1nc(NS(=O)(=O)Cc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000446767249 476917857 /nfs/dbraw/zinc/91/78/57/476917857.db2.gz KPHVCNCCUVTVSB-UHFFFAOYSA-N 0 1 341.776 2.894 20 5 EFBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000408416137 476950756 /nfs/dbraw/zinc/95/07/56/476950756.db2.gz RMCLVQNXSNBQHL-VNHYZAJKSA-N 0 1 347.415 2.778 20 5 EFBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000408417644 476952436 /nfs/dbraw/zinc/95/24/36/476952436.db2.gz ZQXYANULPNGAGK-VNHYZAJKSA-N 0 1 347.415 2.778 20 5 EFBDMN CCc1[nH]nc(C(=O)N2Cc3sccc3CC2(C)C)c1[N+](=O)[O-] ZINC000457304154 476965753 /nfs/dbraw/zinc/96/57/53/476965753.db2.gz FYXHXTIVQKZADR-UHFFFAOYSA-N 0 1 334.401 2.919 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1[N+](=O)[O-] ZINC000452603834 477014428 /nfs/dbraw/zinc/01/44/28/477014428.db2.gz JUPJMCZPGPNJLM-DRAKQNMHSA-N 0 1 330.388 2.726 20 5 EFBDMN Cc1[nH]ncc1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375841979 477041601 /nfs/dbraw/zinc/04/16/01/477041601.db2.gz URNMBQHUEUKMIA-UHFFFAOYSA-N 0 1 328.372 2.575 20 5 EFBDMN COc1cccc(C(=O)N=c2cc(-c3ccc(C)o3)[nH][nH]2)c1[N+](=O)[O-] ZINC000447802709 477061221 /nfs/dbraw/zinc/06/12/21/477061221.db2.gz NCMLLTKHXMOVHU-UHFFFAOYSA-N 0 1 342.311 2.569 20 5 EFBDMN Cc1ccc(-c2cc(=NC(=O)c3cc([N+](=O)[O-])ccc3C)[nH][nH]2)o1 ZINC000447807722 477062427 /nfs/dbraw/zinc/06/24/27/477062427.db2.gz TUFYSDNNDVRFKG-UHFFFAOYSA-N 0 1 326.312 2.869 20 5 EFBDMN CCc1ccc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)cc1[N+](=O)[O-] ZINC000366601127 477091029 /nfs/dbraw/zinc/09/10/29/477091029.db2.gz JYNKUWRQDWJJQC-UHFFFAOYSA-N 0 1 338.327 2.590 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000366612337 477096521 /nfs/dbraw/zinc/09/65/21/477096521.db2.gz YTTAPDACHSYYFP-XJKSGUPXSA-N 0 1 330.388 2.883 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000366611869 477096687 /nfs/dbraw/zinc/09/66/87/477096687.db2.gz XEQZJHKHESFLMA-SFHVURJKSA-N 0 1 346.358 2.836 20 5 EFBDMN CCc1cc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000452884453 477118566 /nfs/dbraw/zinc/11/85/66/477118566.db2.gz QAMVDJIOJDAZEX-ZDUSSCGKSA-N 0 1 328.372 2.900 20 5 EFBDMN CCc1cncc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000448103839 477131931 /nfs/dbraw/zinc/13/19/31/477131931.db2.gz XPNADRWQUVSDRD-UHFFFAOYSA-N 0 1 338.327 2.590 20 5 EFBDMN CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccc(F)cc21 ZINC000432176928 477174281 /nfs/dbraw/zinc/17/42/81/477174281.db2.gz NFXFDGWJIWZLBV-UHFFFAOYSA-N 0 1 331.303 2.536 20 5 EFBDMN Cc1[nH]ncc1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000457785504 477196951 /nfs/dbraw/zinc/19/69/51/477196951.db2.gz FGVSZEBMLWZKQH-CQSZACIVSA-N 0 1 343.387 2.716 20 5 EFBDMN CC(C)CN1CCO[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432341913 477198022 /nfs/dbraw/zinc/19/80/22/477198022.db2.gz CVSXMJCWDLZBAN-AWEZNQCLSA-N 0 1 344.415 2.912 20 5 EFBDMN CC(C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000411376545 477210085 /nfs/dbraw/zinc/21/00/85/477210085.db2.gz UIVZEGMNFSBPTR-UHFFFAOYSA-N 0 1 334.401 2.905 20 5 EFBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(CC)CC1 ZINC000371274275 477210979 /nfs/dbraw/zinc/21/09/79/477210979.db2.gz DLLKVTYODAKWMO-UHFFFAOYSA-N 0 1 337.445 2.875 20 5 EFBDMN C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c2nccn21 ZINC000453345524 477211128 /nfs/dbraw/zinc/21/11/28/477211128.db2.gz KENLYTREFCUJKI-RFGFWPKPSA-N 0 1 330.392 2.767 20 5 EFBDMN CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000453603515 477247311 /nfs/dbraw/zinc/24/73/11/477247311.db2.gz HZBVEKBNQSCAEH-QGZVFWFLSA-N 0 1 336.388 2.854 20 5 EFBDMN CC(C)c1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453608744 477249465 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EFBDMN NC1(c2noc(CCC(=O)c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000424349900 477378702 /nfs/dbraw/zinc/37/87/02/477378702.db2.gz WUSILNZBTVJKJJ-UHFFFAOYSA-N 0 1 344.371 2.911 20 5 EFBDMN COc1cc(F)cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000449029589 477399729 /nfs/dbraw/zinc/39/97/29/477399729.db2.gz PBITXUGOVUOPAR-AWEZNQCLSA-N 0 1 346.362 2.824 20 5 EFBDMN Cn1c(=O)c2sccc2nc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436477490 477489192 /nfs/dbraw/zinc/48/91/92/477489192.db2.gz XGBZIGKLWWZJBI-UHFFFAOYSA-N 0 1 349.393 2.901 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000455096018 477498074 /nfs/dbraw/zinc/49/80/74/477498074.db2.gz BPVNCEORRMFVFT-BBRMVZONSA-N 0 1 334.420 2.637 20 5 EFBDMN Cc1nc([C@@H]2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)n[nH]1 ZINC000413187455 477561045 /nfs/dbraw/zinc/56/10/45/477561045.db2.gz DWXPARIKWNGMFW-CYBMUJFWSA-N 0 1 338.371 2.954 20 5 EFBDMN Cc1nnc([C@@H]2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)[nH]1 ZINC000413187455 477561049 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CCCCOC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000440826276 478167022 /nfs/dbraw/zinc/16/70/22/478167022.db2.gz UTVKTPDNVXXTQP-UHFFFAOYSA-N 0 1 346.387 2.892 20 5 EFBDMN C[C@@H]1CC[C@@H](N(CCO)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429770523 478189109 /nfs/dbraw/zinc/18/91/09/478189109.db2.gz GFQAECFULSHXRN-TZMCWYRMSA-N 0 1 346.387 2.628 20 5 EFBDMN COc1cc(CN(C)[C@@H](CO)CC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000451777049 478200334 /nfs/dbraw/zinc/20/03/34/478200334.db2.gz BGZQLJCDBJIROX-GFCCVEGCSA-N 0 1 328.384 2.971 20 5 EFBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](CO)CC(C)(C)C ZINC000451784041 478202709 /nfs/dbraw/zinc/20/27/09/478202709.db2.gz TUOIVPXDDBCLQR-AWEZNQCLSA-N 0 1 348.403 2.874 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000489225489 478225160 /nfs/dbraw/zinc/22/51/60/478225160.db2.gz ZUHZNGOIFCVYAJ-UWVGGRQHSA-N 0 1 349.366 2.785 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1C ZINC000489336876 478235278 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2.748 20 5 EFBDMN C[C@@H](Cc1cnc[nH]1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594333796 478332652 /nfs/dbraw/zinc/33/26/52/478332652.db2.gz UDUSELLJMOGCFS-LBPRGKRZSA-N 0 1 328.372 2.688 20 5 EFBDMN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594334795 478333164 /nfs/dbraw/zinc/33/31/64/478333164.db2.gz KJDBVDRBCQOPIN-CQSZACIVSA-N 0 1 341.367 2.761 20 5 EFBDMN CCCCc1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1 ZINC000570332767 478336937 /nfs/dbraw/zinc/33/69/37/478336937.db2.gz VLFANRBEXVODHT-UHFFFAOYSA-N 0 1 336.373 2.528 20 5 EFBDMN C[C@@H](NCC(=O)NCCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538178755 478348289 /nfs/dbraw/zinc/34/82/89/478348289.db2.gz IGTQWIJEPBWCSC-CYBMUJFWSA-N 0 1 345.374 2.743 20 5 EFBDMN C[C@H](NCC(=O)NCCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538178760 478348567 /nfs/dbraw/zinc/34/85/67/478348567.db2.gz IGTQWIJEPBWCSC-ZDUSSCGKSA-N 0 1 345.374 2.743 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000594375428 478349881 /nfs/dbraw/zinc/34/98/81/478349881.db2.gz OGMNUIOVRULPNJ-RYUDHWBXSA-N 0 1 330.388 2.631 20 5 EFBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000594390128 478357449 /nfs/dbraw/zinc/35/74/49/478357449.db2.gz SNUDDYSCRCEIHD-UHFFFAOYSA-N 0 1 349.431 2.940 20 5 EFBDMN Cc1nc2c(n1Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCCC2 ZINC000581645608 478407705 /nfs/dbraw/zinc/40/77/05/478407705.db2.gz KZTJABKCVXHEQK-UHFFFAOYSA-N 0 1 329.356 2.893 20 5 EFBDMN CC(C)c1ccc(CNCc2n[nH]c([C@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000594509306 478417126 /nfs/dbraw/zinc/41/71/26/478417126.db2.gz DNEQLXPDFLPMRH-OAHLLOKOSA-N 0 1 345.403 2.978 20 5 EFBDMN Cc1ccc([C@H](C)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000594511432 478418759 /nfs/dbraw/zinc/41/87/59/478418759.db2.gz NGIKWNUPAMMAOB-FZMZJTMJSA-N 0 1 331.376 2.724 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1n[nH]c([C@@H]3CCCO3)n1)CCC2 ZINC000594510122 478419258 /nfs/dbraw/zinc/41/92/58/478419258.db2.gz 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478906199 /nfs/dbraw/zinc/90/61/99/478906199.db2.gz GCKFHQFIXUGYNI-LBPRGKRZSA-N 0 1 333.388 2.604 20 5 EFBDMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000507452238 478922836 /nfs/dbraw/zinc/92/28/36/478922836.db2.gz URMSTDFJQDJZFJ-BETUJISGSA-N 0 1 349.431 2.787 20 5 EFBDMN C[C@@H](CO)[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595670620 478926485 /nfs/dbraw/zinc/92/64/85/478926485.db2.gz GIEXPCTWFXHECS-WFASDCNBSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1CO ZINC000598647051 478942355 /nfs/dbraw/zinc/94/23/55/478942355.db2.gz MXNXRVKKYCKYHA-GXTWGEPZSA-N 0 1 331.372 2.700 20 5 EFBDMN C[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CCO ZINC000595697621 478943178 /nfs/dbraw/zinc/94/31/78/478943178.db2.gz MASYMYHATLDKEC-WFASDCNBSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647758 478944444 /nfs/dbraw/zinc/94/44/44/478944444.db2.gz 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O=[N+]([O-])c1cccc(OCCN[C@@H](CO)c2ccc(F)cc2F)c1 ZINC000595867124 479041184 /nfs/dbraw/zinc/04/11/84/479041184.db2.gz LNVLOXZJWSUMPH-INIZCTEOSA-N 0 1 338.310 2.575 20 5 EFBDMN O=C([O-])c1ccc2c(c1)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000584178288 479043019 /nfs/dbraw/zinc/04/30/19/479043019.db2.gz KYGIETPGBBHSKG-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](C)[C@@](C)(CO)C1 ZINC000595880412 479048166 /nfs/dbraw/zinc/04/81/66/479048166.db2.gz YSQAHWGSNLPEKA-XWCIJXRUSA-N 0 1 346.387 2.656 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)[C@](C)(CO)C1 ZINC000595880411 479048395 /nfs/dbraw/zinc/04/83/95/479048395.db2.gz YSQAHWGSNLPEKA-QFSBIZTOSA-N 0 1 346.387 2.656 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000592801584 479049451 /nfs/dbraw/zinc/04/94/51/479049451.db2.gz JGLBAAQXZVRPBP-OAHLLOKOSA-N 0 1 343.387 2.889 20 5 EFBDMN C[C@H]1CCCC[N@H+]1CCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] 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0 1 326.316 2.540 20 5 EFBDMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000601962157 479096236 /nfs/dbraw/zinc/09/62/36/479096236.db2.gz BUSJCFVFEBIREI-QGZVFWFLSA-N 0 1 344.367 2.904 20 5 EFBDMN COC(=O)c1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000602014906 479136672 /nfs/dbraw/zinc/13/66/72/479136672.db2.gz WUOUFCXDKPPOST-GFCCVEGCSA-N 0 1 331.372 2.879 20 5 EFBDMN C[N@H+]1CCC[C@]2(CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000493751572 479145392 /nfs/dbraw/zinc/14/53/92/479145392.db2.gz VMFPWURZCUXHOK-JXTAAOLFSA-N 0 1 347.390 2.691 20 5 EFBDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000599128516 479171681 /nfs/dbraw/zinc/17/16/81/479171681.db2.gz MYEFNZGDCRSZPU-MRXNPFEDSA-N 0 1 343.431 2.675 20 5 EFBDMN O=C([O-])[C@H](c1cccnc1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000584541697 479173718 /nfs/dbraw/zinc/17/37/18/479173718.db2.gz VLQNXQCTIZIKKX-WBVHZDCISA-N 0 1 341.367 2.995 20 5 EFBDMN CC[C@]1(O)CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000602983798 479179193 /nfs/dbraw/zinc/17/91/93/479179193.db2.gz UKHRVPNFKKPUOU-KRWDZBQOSA-N 0 1 331.372 2.987 20 5 EFBDMN CCOC[C@@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000599157683 479186624 /nfs/dbraw/zinc/18/66/24/479186624.db2.gz CEGWNECEFNOQJF-AWEZNQCLSA-N 0 1 331.372 2.693 20 5 EFBDMN CS[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000596197656 479193024 /nfs/dbraw/zinc/19/30/24/479193024.db2.gz ZDROIABZUOLBNE-CHWSQXEVSA-N 0 1 342.852 2.659 20 5 EFBDMN CN1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602140803 479199602 /nfs/dbraw/zinc/19/96/02/479199602.db2.gz IRMVBGLNESVBHA-ZDUSSCGKSA-N 0 1 345.321 2.714 20 5 EFBDMN Cc1[nH]ncc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000602170637 479214515 /nfs/dbraw/zinc/21/45/15/479214515.db2.gz BXFDLGMVHLDSBC-UHFFFAOYSA-N 0 1 342.277 2.917 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)C1 ZINC000584730371 479222542 /nfs/dbraw/zinc/22/25/42/479222542.db2.gz QNSULSQFXHWDHG-VXGBXAGGSA-N 0 1 330.388 2.631 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000593187456 479228578 /nfs/dbraw/zinc/22/85/78/479228578.db2.gz KQGLDMLWIGUIKJ-GMTAPVOTSA-N 0 1 325.796 2.801 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593188568 479230238 /nfs/dbraw/zinc/23/02/38/479230238.db2.gz LWIQPQUVTRUSIA-IJLUTSLNSA-N 0 1 339.823 2.730 20 5 EFBDMN Cc1cc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n[nH]1 ZINC000610964168 479245189 /nfs/dbraw/zinc/24/51/89/479245189.db2.gz PBYFFBFFQSADEG-UHFFFAOYSA-N 0 1 329.360 2.501 20 5 EFBDMN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000610964375 479245579 /nfs/dbraw/zinc/24/55/79/479245579.db2.gz GXORMFGNWIQOOM-UHFFFAOYSA-N 0 1 328.250 2.575 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C(C)(C)C)C1 ZINC000584804148 479246232 /nfs/dbraw/zinc/24/62/32/479246232.db2.gz ONFDQDKBDJIBLL-GFCCVEGCSA-N 0 1 335.404 2.910 20 5 EFBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cnc(C4CC4)s3)CC2)n1 ZINC000584815775 479249956 /nfs/dbraw/zinc/24/99/56/479249956.db2.gz ISCVFAVCUIWUIC-UHFFFAOYSA-N 0 1 333.417 2.962 20 5 EFBDMN CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000593256565 479263088 /nfs/dbraw/zinc/26/30/88/479263088.db2.gz PJOKSHDZKZIESO-PWSUYJOCSA-N 0 1 332.360 2.501 20 5 EFBDMN COc1ccc(OCCN(C)Cc2ccc(OC)nc2)c([N+](=O)[O-])c1 ZINC000611080237 479278170 /nfs/dbraw/zinc/27/81/70/479278170.db2.gz NHZCPSRHLHQANI-UHFFFAOYSA-N 0 1 347.371 2.518 20 5 EFBDMN Cc1cc(N2CC[C@H]3NC(=O)CC[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596458315 479302903 /nfs/dbraw/zinc/30/29/03/479302903.db2.gz HLARQHLLHHKJKI-SWLSCSKDSA-N 0 1 340.383 2.556 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CCC3(CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000611178566 479304285 /nfs/dbraw/zinc/30/42/85/479304285.db2.gz XUQWXJMHNPTQOY-AWEZNQCLSA-N 0 1 347.415 2.733 20 5 EFBDMN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCN(C2CCCC2)CC1 ZINC000611195264 479307788 /nfs/dbraw/zinc/30/77/88/479307788.db2.gz NPAVYHFIBLCTHI-UHFFFAOYSA-N 0 1 342.399 2.777 20 5 EFBDMN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@]2(CO)CCOC2)cc1 ZINC000585718705 479315992 /nfs/dbraw/zinc/31/59/92/479315992.db2.gz ULQZLVSXBDUQGE-IBGZPJMESA-N 0 1 342.395 2.748 20 5 EFBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000611263424 479328689 /nfs/dbraw/zinc/32/86/89/479328689.db2.gz CPSYSCQAUSNWQC-IYBDPMFKSA-N 0 1 339.395 2.869 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1(C)COC1 ZINC000599571734 479337769 /nfs/dbraw/zinc/33/77/69/479337769.db2.gz SUUMHTQQMFDOGZ-NSHDSACASA-N 0 1 332.360 2.674 20 5 EFBDMN Cc1ccncc1[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000611299697 479341300 /nfs/dbraw/zinc/34/13/00/479341300.db2.gz DQVWEXJSVVCUTQ-SNVBAGLBSA-N 0 1 325.328 2.666 20 5 EFBDMN Cc1ccncc1[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000611299695 479341777 /nfs/dbraw/zinc/34/17/77/479341777.db2.gz DQVWEXJSVVCUTQ-JTQLQIEISA-N 0 1 325.328 2.666 20 5 EFBDMN NC(=O)C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602483483 479360715 /nfs/dbraw/zinc/36/07/15/479360715.db2.gz RKFJPJGUHKZWRR-JTQLQIEISA-N 0 1 345.321 2.701 20 5 EFBDMN CN(Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1CCOC1 ZINC000602486049 479362342 /nfs/dbraw/zinc/36/23/42/479362342.db2.gz UQARDWQPJUUKRV-MRVPVSSYSA-N 0 1 335.223 2.887 20 5 EFBDMN CN(Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1CCOC1 ZINC000602486051 479362985 /nfs/dbraw/zinc/36/29/85/479362985.db2.gz UQARDWQPJUUKRV-QMMMGPOBSA-N 0 1 335.223 2.887 20 5 EFBDMN Cc1cc(N2CCC(N3CCOC[C@H]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000603399545 479370341 /nfs/dbraw/zinc/37/03/41/479370341.db2.gz CEUWDTLCTJMTHF-CYBMUJFWSA-N 0 1 337.395 2.732 20 5 EFBDMN Cc1cc(N2CCC(N3CCOC[C@@H]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000603399547 479370487 /nfs/dbraw/zinc/37/04/87/479370487.db2.gz CEUWDTLCTJMTHF-ZDUSSCGKSA-N 0 1 337.395 2.732 20 5 EFBDMN COc1cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000596655994 479375067 /nfs/dbraw/zinc/37/50/67/479375067.db2.gz DGIRHKDRUODCQT-UHFFFAOYSA-N 0 1 340.376 2.545 20 5 EFBDMN Cc1nc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cs1 ZINC000602512754 479375957 /nfs/dbraw/zinc/37/59/57/479375957.db2.gz UECRNZZFHDSJTK-UHFFFAOYSA-N 0 1 333.417 2.513 20 5 EFBDMN CCC(O)(CC)CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599672512 479384749 /nfs/dbraw/zinc/38/47/49/479384749.db2.gz DWLWHBDDGVHSBF-UHFFFAOYSA-N 0 1 343.811 2.670 20 5 EFBDMN CC[C@@H](C)[C@@H](O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602565712 479399934 /nfs/dbraw/zinc/39/99/34/479399934.db2.gz RQINFRAHTBNQPL-XCBNKYQSSA-N 0 1 337.239 2.915 20 5 EFBDMN COc1ccc(C)cc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000603524845 479400725 /nfs/dbraw/zinc/40/07/25/479400725.db2.gz FXALWUVCKDZLDF-UHFFFAOYSA-N 0 1 340.339 2.718 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C[C@H]2CCCO2)CC1 ZINC000611515106 479401746 /nfs/dbraw/zinc/40/17/46/479401746.db2.gz XZDMVDDDFZZFAY-NVXWUHKLSA-N 0 1 333.432 2.761 20 5 EFBDMN CCC(=O)N1CC[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602570939 479402445 /nfs/dbraw/zinc/40/24/45/479402445.db2.gz YMONNOSOWVZYRT-GFCCVEGCSA-N 0 1 345.321 2.714 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000611556098 479415132 /nfs/dbraw/zinc/41/51/32/479415132.db2.gz CNRKLLSJGAAXPQ-QGZVFWFLSA-N 0 1 342.351 2.904 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611559695 479415395 /nfs/dbraw/zinc/41/53/95/479415395.db2.gz IOFODAVMPYKJKK-CHWSQXEVSA-N 0 1 334.372 2.579 20 5 EFBDMN Cc1[nH]ncc1C1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593688650 479423711 /nfs/dbraw/zinc/42/37/11/479423711.db2.gz HGHBXAJBODSLNA-UHFFFAOYSA-N 0 1 346.362 2.714 20 5 EFBDMN CCO[C@@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1OC ZINC000602614783 479423934 /nfs/dbraw/zinc/42/39/34/479423934.db2.gz DCUQGTULEFNMJH-BNOWGMLFSA-N 0 1 348.321 2.896 20 5 EFBDMN COc1ccccc1CC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736398 479439257 /nfs/dbraw/zinc/43/92/57/479439257.db2.gz NFNTUPNGAFLICF-UHFFFAOYSA-N 0 1 344.367 2.976 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000593740992 479441818 /nfs/dbraw/zinc/44/18/18/479441818.db2.gz GIWWREVHJLMVMW-OAHLLOKOSA-N 0 1 334.372 2.684 20 5 EFBDMN C[C@@H]1CC2(C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCOCC2 ZINC000593743233 479443089 /nfs/dbraw/zinc/44/30/89/479443089.db2.gz WTFBKXKUBYPWLI-GFCCVEGCSA-N 0 1 334.372 2.684 20 5 EFBDMN O=C([O-])[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000593743407 479443321 /nfs/dbraw/zinc/44/33/21/479443321.db2.gz CTFRXAJGZPRPOJ-QGZVFWFLSA-N 0 1 342.351 2.658 20 5 EFBDMN C[C@H]1CC2(C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCOCC2 ZINC000593743234 479443399 /nfs/dbraw/zinc/44/33/99/479443399.db2.gz WTFBKXKUBYPWLI-LBPRGKRZSA-N 0 1 334.372 2.684 20 5 EFBDMN CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593743531 479443956 /nfs/dbraw/zinc/44/39/56/479443956.db2.gz INHLDPABSOKHHA-RHSMWYFYSA-N 0 1 336.388 2.928 20 5 EFBDMN C[N@H+](CCOCc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593744986 479443971 /nfs/dbraw/zinc/44/39/71/479443971.db2.gz XNOPQTBCZLIGEK-UHFFFAOYSA-N 0 1 344.367 2.942 20 5 EFBDMN C[N@@H+](CCOCc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593744986 479443976 /nfs/dbraw/zinc/44/39/76/479443976.db2.gz XNOPQTBCZLIGEK-UHFFFAOYSA-N 0 1 344.367 2.942 20 5 EFBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000593747869 479445086 /nfs/dbraw/zinc/44/50/86/479445086.db2.gz DWVGRXOBOMYFRI-CYBMUJFWSA-N 0 1 336.388 2.796 20 5 EFBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593748922 479446024 /nfs/dbraw/zinc/44/60/24/479446024.db2.gz WUAXVRXWRKYARX-ZDUSSCGKSA-N 0 1 336.388 2.796 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000593753157 479447486 /nfs/dbraw/zinc/44/74/86/479447486.db2.gz QLVHFZGTWQPIAB-UHFFFAOYSA-N 0 1 342.351 2.860 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000593753157 479447492 /nfs/dbraw/zinc/44/74/92/479447492.db2.gz QLVHFZGTWQPIAB-UHFFFAOYSA-N 0 1 342.351 2.860 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000611772943 479473516 /nfs/dbraw/zinc/47/35/16/479473516.db2.gz SFWLLPPVZRSBBS-HNNXBMFYSA-N 0 1 339.823 2.545 20 5 EFBDMN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2nc[nH]c2C1 ZINC000599952765 479478971 /nfs/dbraw/zinc/47/89/71/479478971.db2.gz RFEBBANMABPNRS-UHFFFAOYSA-N 0 1 340.261 2.535 20 5 EFBDMN C[C@H](O)CN1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000589113527 479480460 /nfs/dbraw/zinc/48/04/60/479480460.db2.gz DEPPVEXJIIFCQG-QWRGUYRKSA-N 0 1 347.337 2.505 20 5 EFBDMN C[C@H](Cc1ccsc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000604200121 479484664 /nfs/dbraw/zinc/48/46/64/479484664.db2.gz BVHQDMAWKOLDJP-SECBINFHSA-N 0 1 330.369 2.894 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCCN3CC(F)F)nc2c1 ZINC000602719387 479502342 /nfs/dbraw/zinc/50/23/42/479502342.db2.gz CSZUZPARYCENTO-LLVKDONJSA-N 0 1 340.330 2.555 20 5 EFBDMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000575929095 479504887 /nfs/dbraw/zinc/50/48/87/479504887.db2.gz NOTVGGXMMPAMOS-INIZCTEOSA-N 0 1 333.344 2.669 20 5 EFBDMN Cc1ccncc1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611938966 479526537 /nfs/dbraw/zinc/52/65/37/479526537.db2.gz DCZVIHLHPZGXGG-QWHCGFSZSA-N 0 1 328.372 2.976 20 5 EFBDMN Cc1ccncc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611939333 479526587 /nfs/dbraw/zinc/52/65/87/479526587.db2.gz INMFVINJHRRLHG-CHWSQXEVSA-N 0 1 328.372 2.976 20 5 EFBDMN Cc1ccncc1[C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611939263 479527637 /nfs/dbraw/zinc/52/76/37/479527637.db2.gz GLKXQPGNUIHZBZ-CYBMUJFWSA-N 0 1 340.383 2.538 20 5 EFBDMN C[C@@H]1CN(c2cccc(Cl)c2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000593994241 479537940 /nfs/dbraw/zinc/53/79/40/479537940.db2.gz XFRVWLPYJJNBPV-CYBMUJFWSA-N 0 1 349.822 2.655 20 5 EFBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCCO[C@H](c2ccccc2)C1 ZINC000602773454 479543045 /nfs/dbraw/zinc/54/30/45/479543045.db2.gz TWKYYIIXLRKJSC-INIZCTEOSA-N 0 1 330.388 2.563 20 5 EFBDMN Cc1cc(=O)[nH]c(C(C)(C)NCC=Cc2ccccc2[N+](=O)[O-])n1 ZINC000600181490 479567883 /nfs/dbraw/zinc/56/78/83/479567883.db2.gz QPLKPBNRBVXLEV-VURMDHGXSA-N 0 1 328.372 2.937 20 5 EFBDMN COC(=O)COc1ccc(CN2CCC(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000590052873 479597685 /nfs/dbraw/zinc/59/76/85/479597685.db2.gz OQINIYSAQQEYON-UHFFFAOYSA-N 0 1 348.399 2.769 20 5 EFBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602892169 479616037 /nfs/dbraw/zinc/61/60/37/479616037.db2.gz RAKINIDWJYCLTM-CVEARBPZSA-N 0 1 338.379 2.534 20 5 EFBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1COCCO1 ZINC000597206646 479620359 /nfs/dbraw/zinc/62/03/59/479620359.db2.gz PSPDUARIFMMTLQ-MRXNPFEDSA-N 0 1 332.356 2.702 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCc4n[nH]nc4C3)s2)cc1 ZINC000597248678 479642940 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2.828 20 5 EFBDMN C[C@@H](C[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)[O-] ZINC000901595760 728019979 /nfs/dbraw/zinc/01/99/79/728019979.db2.gz BXSMEEVFLGSNSQ-LURJTMIESA-N 0 1 337.195 2.571 20 5 EFBDMN Cc1ccncc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000071414157 728161527 /nfs/dbraw/zinc/16/15/27/728161527.db2.gz CDTZLSJEIUFJBQ-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN COCCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)C ZINC000063496344 728628346 /nfs/dbraw/zinc/62/83/46/728628346.db2.gz HUDWFULVLBSDBW-UHFFFAOYSA-N 0 1 343.811 2.791 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc3cc(-c4nn[nH]n4)ccc3[nH]2)c(Cl)c1 ZINC000826498360 948414229 /nfs/dbraw/zinc/41/42/29/948414229.db2.gz RHFRZQVGILYKKR-UHFFFAOYSA-N 0 1 341.718 2.972 20 5 EFBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC000079486985 949005396 /nfs/dbraw/zinc/00/53/96/949005396.db2.gz AFTFODBEURICPG-ZDUSSCGKSA-N 0 1 343.177 2.796 20 5 EFBDMN O=C([O-])c1ccccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001595254959 949583063 /nfs/dbraw/zinc/58/30/63/949583063.db2.gz AYXHQUIXWVHPAV-UHFFFAOYSA-N 0 1 327.296 2.724 20 5 EFBDMN O=C([O-])[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC001594843377 954102155 /nfs/dbraw/zinc/10/21/55/954102155.db2.gz KOMDLBTZFYQBSC-HNNXBMFYSA-N 0 1 344.302 2.526 20 5 EFBDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901415578 956305064 /nfs/dbraw/zinc/30/50/64/956305064.db2.gz LCJLJGSRYULPDC-JTQLQIEISA-N 0 1 332.278 2.910 20 5 EFBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000233880321 967748540 /nfs/dbraw/zinc/74/85/40/967748540.db2.gz VXMFEBTVSMGAOQ-SECBINFHSA-N 0 1 331.166 2.652 20 5 EFBDMN COc1cc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001604709612 973912555 /nfs/dbraw/zinc/91/25/55/973912555.db2.gz ZWSAZTRNQFOORH-LLVKDONJSA-N 0 1 326.324 2.572 20 5 EFBDMN C[N@@H+](CCCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000844213268 979371501 /nfs/dbraw/zinc/37/15/01/979371501.db2.gz VWEQBBKAKXCXTL-WEVVVXLNSA-N 0 1 333.388 2.979 20 5 EFBDMN Cc1ccc([C@H](C)[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000902394627 980868448 /nfs/dbraw/zinc/86/84/48/980868448.db2.gz ITYDXCXRKMJKDU-AWEZNQCLSA-N 0 1 349.431 2.883 20 5 EFBDMN Cc1c(C[N@H+]2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000903942250 981064188 /nfs/dbraw/zinc/06/41/88/981064188.db2.gz BDYNVVGLYDAEIM-XKQJLSEDSA-N 0 1 348.399 2.747 20 5 EFBDMN Cc1c(C[N@H+]2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000903942248 981064228 /nfs/dbraw/zinc/06/42/28/981064228.db2.gz BDYNVVGLYDAEIM-JQFCIGGWSA-N 0 1 348.399 2.747 20 5 EFBDMN CCC[N@@H+](CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Br ZINC000923229493 982851300 /nfs/dbraw/zinc/85/13/00/982851300.db2.gz GVUXDSFGUGNQOG-UHFFFAOYSA-N 0 1 331.166 2.654 20 5 EFBDMN C[C@H]([NH2+][C@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1[N+](=O)[O-] ZINC001599902311 984859978 /nfs/dbraw/zinc/85/99/78/984859978.db2.gz XMFQZHDTAXFKEK-JQWIXIFHSA-N 0 1 330.344 2.675 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H](COC1CCC1)C(=O)[O-] ZINC001589001450 984944320 /nfs/dbraw/zinc/94/43/20/984944320.db2.gz JUFWCBVXQSHUOL-HOFZKYPUSA-N 0 1 348.399 2.952 20 5 EFBDMN Cc1[nH]c(C(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC001599947636 985556474 /nfs/dbraw/zinc/55/64/74/985556474.db2.gz RGBMHFCRDGZRSD-SNVBAGLBSA-N 0 1 345.355 2.771 20 5 EFBDMN C[N@H+](Cc1cccc(F)c1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598526138 992723143 /nfs/dbraw/zinc/72/31/43/992723143.db2.gz NJPCEWLZRNKALH-UHFFFAOYSA-N 0 1 348.330 2.829 20 5 EFBDMN C[N@@H+](Cc1cccc(F)c1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598526138 992723149 /nfs/dbraw/zinc/72/31/49/992723149.db2.gz NJPCEWLZRNKALH-UHFFFAOYSA-N 0 1 348.330 2.829 20 5 EFBDMN C[N@@H+]1Cc2ccccc2[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598630389 994164976 /nfs/dbraw/zinc/16/49/76/994164976.db2.gz GXKGNTRIBDZQLE-OAHLLOKOSA-N 0 1 327.340 2.892 20 5 EFBDMN C[C@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001593373689 995068314 /nfs/dbraw/zinc/06/83/14/995068314.db2.gz HHMKKYLFMZQOCX-RYUDHWBXSA-N 0 1 348.403 2.753 20 5 EFBDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC001593779373 996489577 /nfs/dbraw/zinc/48/95/77/996489577.db2.gz YJISWRHRMJTLKN-QGZVFWFLSA-N 0 1 344.371 2.603 20 5 EFBDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001599079489 996962290 /nfs/dbraw/zinc/96/22/90/996962290.db2.gz SJVNZGPZGXVZLQ-KRWDZBQOSA-N 0 1 346.339 2.530 20 5 EFBDMN COc1cc(C[N@@H+](C2CC2)C2(C(=O)[O-])CCC2)c([N+](=O)[O-])cc1F ZINC001599405071 997282624 /nfs/dbraw/zinc/28/26/24/997282624.db2.gz LAOQKKYTYBTPGT-UHFFFAOYSA-N 0 1 338.335 2.714 20 5 EFBDMN C[C@](N)(C(=O)NCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001576081719 1088913533 /nfs/dbraw/zinc/91/35/33/1088913533.db2.gz OVMXSVXKIAXADG-QGZVFWFLSA-N 0 1 347.802 2.781 20 5 EFBDMN N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001580133970 1090786024 /nfs/dbraw/zinc/78/60/24/1090786024.db2.gz DZJYJLCBDFCAIZ-AWEZNQCLSA-N 0 1 342.330 2.724 20 5 EFBDMN C[C@@H](CCSc1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001589835276 1093156020 /nfs/dbraw/zinc/15/60/20/1093156020.db2.gz QJDFBKPCWGEDPW-JTQLQIEISA-N 0 1 345.388 2.715 20 5 EFBDMN CC[C@@H](C)CON=c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001590409659 1093409929 /nfs/dbraw/zinc/40/99/29/1093409929.db2.gz IVPWRLZVPROMET-SECBINFHSA-N 0 1 343.347 2.713 20 5 EFBDMN CCC(CC)[C@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[NH+](C)C ZINC001590432967 1093420202 /nfs/dbraw/zinc/42/02/02/1093420202.db2.gz TXQVKNVJJYYBLG-HNNXBMFYSA-N 0 1 347.423 2.553 20 5 EFBDMN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(-c2nnn[n-]2)c1 ZINC001591122210 1093664847 /nfs/dbraw/zinc/66/48/47/1093664847.db2.gz CYWCGNCVEAYZNE-UHFFFAOYSA-N 0 1 344.400 2.511 20 5 EFBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(-c2nnn[n-]2)c1 ZINC001591122210 1093664853 /nfs/dbraw/zinc/66/48/53/1093664853.db2.gz CYWCGNCVEAYZNE-UHFFFAOYSA-N 0 1 344.400 2.511 20 5 EFBDMN Cc1cccc(CN(C)Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])c1 ZINC001592230025 1094039897 /nfs/dbraw/zinc/03/98/97/1094039897.db2.gz ITGUSFKPAKSEMH-UHFFFAOYSA-N 0 1 338.371 2.715 20 5 EFBDMN O=C([O-])Cc1ccc(NC[C@@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC001602136000 1096084801 /nfs/dbraw/zinc/08/48/01/1096084801.db2.gz DLVOHXQTIYPFFB-AWEZNQCLSA-N 0 1 333.388 2.651 20 5 EFBDMN O=C([O-])c1cc(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)no1 ZINC001602252515 1096139875 /nfs/dbraw/zinc/13/98/75/1096139875.db2.gz IFCTZAOYXPYTJX-UHFFFAOYSA-N 0 1 349.318 2.800 20 5 EFBDMN O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC001602298332 1096164945 /nfs/dbraw/zinc/16/49/45/1096164945.db2.gz AWKZANDYMNCDPJ-SSDOTTSWSA-N 0 1 336.735 2.639 20 5 EFBDMN O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC001602298332 1096164952 /nfs/dbraw/zinc/16/49/52/1096164952.db2.gz AWKZANDYMNCDPJ-SSDOTTSWSA-N 0 1 336.735 2.639 20 5 EFBDMN O=C([O-])c1cccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC001602460271 1096257874 /nfs/dbraw/zinc/25/78/74/1096257874.db2.gz UHRODJKDYNRKMT-UHFFFAOYSA-N 0 1 330.315 2.990 20 5 EFBDMN O=C([O-])c1cccc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC001602460271 1096257885 /nfs/dbraw/zinc/25/78/85/1096257885.db2.gz UHRODJKDYNRKMT-UHFFFAOYSA-N 0 1 330.315 2.990 20 5 EFBDMN O=C(N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000843703364 1096622830 /nfs/dbraw/zinc/62/28/30/1096622830.db2.gz SGDGLJCAWVURGM-KXHDPYLZSA-N 0 1 345.252 2.692 20 5 EFBDMN C[C@H](C1CC1)[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C1CC1 ZINC001604051287 1096710822 /nfs/dbraw/zinc/71/08/22/1096710822.db2.gz KXHJGRCKFCZENK-LLVKDONJSA-N 0 1 334.372 2.821 20 5 EFBDMN CCC[NH+](CCC)CCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604205041 1096772839 /nfs/dbraw/zinc/77/28/39/1096772839.db2.gz QHBVYFBJTFVFQW-UHFFFAOYSA-N 0 1 347.423 2.699 20 5 EFBDMN CCC[NH+](CCC)CCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604205041 1096772841 /nfs/dbraw/zinc/77/28/41/1096772841.db2.gz QHBVYFBJTFVFQW-UHFFFAOYSA-N 0 1 347.423 2.699 20 5 EFBDMN CC1(C)C[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC001604546451 1096900850 /nfs/dbraw/zinc/90/08/50/1096900850.db2.gz UQSGPFDPUHFLCZ-MRXNPFEDSA-N 0 1 334.372 2.679 20 5 EFBDMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC001604754020 1096947744 /nfs/dbraw/zinc/94/77/44/1096947744.db2.gz PBKAFCZTRSDNAJ-WBMJQRKESA-N 0 1 344.371 2.573 20 5 EFBDMN C[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1(C)C ZINC001604754431 1096947996 /nfs/dbraw/zinc/94/79/96/1096947996.db2.gz WBYUVVRTYMFDQG-LBPRGKRZSA-N 0 1 336.388 2.926 20 5 EFBDMN C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001604786447 1096954980 /nfs/dbraw/zinc/95/49/80/1096954980.db2.gz SXORWILKIGBDJW-UWVGGRQHSA-N 0 1 341.795 2.723 20 5 EFBDMN CC[N@@H+](CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001605448078 1097127416 /nfs/dbraw/zinc/12/74/16/1097127416.db2.gz QWEWUYCWIUIUKJ-UHFFFAOYSA-N 0 1 327.768 2.843 20 5 EFBDMN Cc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1-c1nn[nH]n1 ZINC001605660966 1097182512 /nfs/dbraw/zinc/18/25/12/1097182512.db2.gz KGPZZRNVGMHERX-GFCCVEGCSA-N 0 1 338.371 2.934 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CCCC2(CC2)CC1 ZINC001607084077 1097509824 /nfs/dbraw/zinc/50/98/24/1097509824.db2.gz SGPDQWQFSBFFNS-UHFFFAOYSA-N 0 1 328.376 2.541 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001607192005 1097556565 /nfs/dbraw/zinc/55/65/65/1097556565.db2.gz USVQIBQNVULKEE-UHFFFAOYSA-N 0 1 330.340 2.934 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001607192005 1097556569 /nfs/dbraw/zinc/55/65/69/1097556569.db2.gz USVQIBQNVULKEE-UHFFFAOYSA-N 0 1 330.340 2.934 20 5 EFBDMN C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]1(C)C(=O)[O-] ZINC001607478401 1097636551 /nfs/dbraw/zinc/63/65/51/1097636551.db2.gz KVLAXFVMYPQQPT-GTNSWQLSSA-N 0 1 345.355 2.792 20 5 EFBDMN O=C([O-])C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001608702776 1097994326 /nfs/dbraw/zinc/99/43/26/1097994326.db2.gz ZCDMBFQCLCPUFG-CQSZACIVSA-N 0 1 346.339 2.530 20 5 EFBDMN O=C([O-])C[C@@H]1COCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001608702776 1097994333 /nfs/dbraw/zinc/99/43/33/1097994333.db2.gz ZCDMBFQCLCPUFG-CQSZACIVSA-N 0 1 346.339 2.530 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC001608914219 1098069322 /nfs/dbraw/zinc/06/93/22/1098069322.db2.gz FWWYBTNZMCFJDA-UHFFFAOYSA-N 0 1 342.351 2.599 20 5 EFBDMN Cc1cccc(Oc2nc(Cl)c(-c3nn[nH]n3)s2)c1[N+](=O)[O-] ZINC001609433385 1098318211 /nfs/dbraw/zinc/31/82/11/1098318211.db2.gz ASPZOKIQPXSWNR-UHFFFAOYSA-N 0 1 338.736 2.986 20 5 EFBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCc2ccc(-c3nn[nH]n3)cc21 ZINC001609603532 1098396404 /nfs/dbraw/zinc/39/64/04/1098396404.db2.gz KZQRZFQTVVDZPW-HNNXBMFYSA-N 0 1 336.355 2.552 20 5 EFBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccncc1 ZINC001609729796 1098440605 /nfs/dbraw/zinc/44/06/05/1098440605.db2.gz CSUQIQXJXGXWMY-INIZCTEOSA-N 0 1 333.319 2.609 20 5 EFBDMN C[C@@H]1Cc2c([nH+]cn2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC001609876758 1098482355 /nfs/dbraw/zinc/48/23/55/1098482355.db2.gz AHEQBLRAOJVEJX-WDEREUQCSA-N 0 1 329.356 2.909 20 5 EFBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001610730459 1098857382 /nfs/dbraw/zinc/85/73/82/1098857382.db2.gz WBRGXLIODQOLIE-SFHVURJKSA-N 0 1 342.351 2.529 20 5 EFBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001610730459 1098857389 /nfs/dbraw/zinc/85/73/89/1098857389.db2.gz WBRGXLIODQOLIE-SFHVURJKSA-N 0 1 342.351 2.529 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC001610842415 1098928470 /nfs/dbraw/zinc/92/84/70/1098928470.db2.gz WQRJYNFJVNOARG-KGLIPLIRSA-N 0 1 348.399 2.932 20 5 EFBDMN COc1cc(CSc2nnc(C)[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000010779514 1099069950 /nfs/dbraw/zinc/06/99/50/1099069950.db2.gz YYLANAFPBWMVKQ-UHFFFAOYSA-N 0 1 346.315 2.924 20 5 EFBDMN CN(C)C(=O)Sc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1Cl ZINC000840459793 1101082243 /nfs/dbraw/zinc/08/22/43/1101082243.db2.gz HXSPDYLFPGYEII-PSASIEDQSA-N 0 1 343.792 2.717 20 5 EFBDMN CCN1CC[C@H](Oc2c(F)cc(Br)cc2[N+](=O)[O-])C1 ZINC001228481327 1103764405 /nfs/dbraw/zinc/76/44/05/1103764405.db2.gz NZUHSHKQKHFYJW-VIFPVBQESA-N 0 1 333.157 2.969 20 5 EFBDMN C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000905986394 1103794715 /nfs/dbraw/zinc/79/47/15/1103794715.db2.gz XZUHGABWDNWNAT-LKFLVWNSSA-N 0 1 331.416 2.638 20 5 EFBDMN CC(C)(CC(=O)NCCNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC001126716391 1104462878 /nfs/dbraw/zinc/46/28/78/1104462878.db2.gz HKNDVSMSJKCEMI-UHFFFAOYSA-N 0 1 325.434 2.688 20 5 EFBDMN C[C@]1(O)CN[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001211935635 1104643678 /nfs/dbraw/zinc/64/36/78/1104643678.db2.gz PSZYOBHWFZWNMT-IFXJQAMLSA-N 0 1 347.378 2.618 20 5 EFBDMN COc1cc(OC)cc(Oc2ccc(CNCC[N+](=O)[O-])cc2)c1 ZINC000905255963 1108546468 /nfs/dbraw/zinc/54/64/68/1108546468.db2.gz WLJJEUVECHOAIJ-UHFFFAOYSA-N 0 1 332.356 2.862 20 5 EFBDMN C=C1N=C(SCC[N+](=O)[O-])N[C@H](c2ccccc2)C1C(=O)OCC ZINC000899877557 1109531460 /nfs/dbraw/zinc/53/14/60/1109531460.db2.gz ZYVPEOURNNEWLQ-CQSZACIVSA-N 0 1 349.412 2.534 20 5 EFBDMN CC(C)[N@@H+]1CC[C@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234878877 1111430990 /nfs/dbraw/zinc/43/09/90/1111430990.db2.gz ZLQDGJLLAGEDEQ-JTQLQIEISA-N 0 1 345.193 2.924 20 5 EFBDMN CC(C)[N@H+]1CC[C@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234878877 1111430992 /nfs/dbraw/zinc/43/09/92/1111430992.db2.gz ZLQDGJLLAGEDEQ-JTQLQIEISA-N 0 1 345.193 2.924 20 5 EFBDMN CC(C)CN1CCO[C@H](COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000073015857 1120430571 /nfs/dbraw/zinc/43/05/71/1120430571.db2.gz RILQHCINUHLDAO-JZLODUJNSA-N 0 1 348.399 2.508 20 5 EFBDMN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153824656 529380458 /nfs/dbraw/zinc/38/04/58/529380458.db2.gz LPBODMZWRXYBEA-LLVKDONJSA-N 0 1 332.360 2.734 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)CCCOc2ccccc2C)c1[N+](=O)[O-] ZINC000171400620 529465026 /nfs/dbraw/zinc/46/50/26/529465026.db2.gz SXNFWDVGJGZTSM-UHFFFAOYSA-N 0 1 346.387 2.730 20 5 EFBDMN CCc1[nH]nc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)c1[N+](=O)[O-] ZINC000171368509 529465547 /nfs/dbraw/zinc/46/55/47/529465547.db2.gz DFTCCBVJSLIOKJ-UHFFFAOYSA-N 0 1 344.371 2.694 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC(OCCC(C)C)CC2)c1[N+](=O)[O-] ZINC000171803907 529465663 /nfs/dbraw/zinc/46/56/63/529465663.db2.gz BWAKZIJHHVADHC-UHFFFAOYSA-N 0 1 338.408 2.548 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000171368962 529465684 /nfs/dbraw/zinc/46/56/84/529465684.db2.gz WRFKNRZSWQKCMH-CQSZACIVSA-N 0 1 344.371 2.866 20 5 EFBDMN CCc1[nH]nc(C(=O)N(CC)Cc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000179544267 529465844 /nfs/dbraw/zinc/46/58/44/529465844.db2.gz PCCMJJPFPNENBQ-UHFFFAOYSA-N 0 1 332.360 2.551 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000171369561 529466033 /nfs/dbraw/zinc/46/60/33/529466033.db2.gz QVWRXSLVRZKPGQ-CYBMUJFWSA-N 0 1 328.372 2.728 20 5 EFBDMN CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000174568295 530068673 /nfs/dbraw/zinc/06/86/73/530068673.db2.gz SQFBKXMJEWQSAD-UHFFFAOYSA-N 0 1 331.416 2.614 20 5 EFBDMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000140773235 282396492 /nfs/dbraw/zinc/39/64/92/282396492.db2.gz NWAXLYWEUTZZCF-HOTGVXAUSA-N 0 1 349.431 2.719 20 5 EFBDMN COc1cccc(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000040510376 213326676 /nfs/dbraw/zinc/32/66/76/213326676.db2.gz KXLAUVNXAOTBCS-UHFFFAOYSA-N 0 1 340.339 2.752 20 5 EFBDMN COC[C@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000181570571 234236426 /nfs/dbraw/zinc/23/64/26/234236426.db2.gz JWAJMPPZYYPVRQ-YGRLFVJLSA-N 0 1 332.360 2.720 20 5 EFBDMN COc1cc(CNc2nnc(CCC(C)C)o2)cc([N+](=O)[O-])c1O ZINC000181785477 234322507 /nfs/dbraw/zinc/32/25/07/234322507.db2.gz YHHLGVPTFOZWKK-UHFFFAOYSA-N 0 1 336.348 2.893 20 5 EFBDMN C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000119788104 299246937 /nfs/dbraw/zinc/24/69/37/299246937.db2.gz NDJYPFLOXLBFEV-JSGCOSHPSA-N 0 1 347.415 2.683 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C)(CO)CC1 ZINC000186946785 236073563 /nfs/dbraw/zinc/07/35/63/236073563.db2.gz GAQIEDHYQIAFMI-GFCCVEGCSA-N 0 1 346.387 2.800 20 5 EFBDMN COc1cc(C(=O)N2CCN(C3CCCC3)CC2)cc([N+](=O)[O-])c1C ZINC000188070759 236413780 /nfs/dbraw/zinc/41/37/80/236413780.db2.gz AOTIRGHSYBNKFK-UHFFFAOYSA-N 0 1 347.415 2.612 20 5 EFBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1[nH]nc2c1CCCCC2 ZINC000190183087 238278712 /nfs/dbraw/zinc/27/87/12/238278712.db2.gz UDQBMYZJIJOYSL-UHFFFAOYSA-N 0 1 328.372 2.559 20 5 EFBDMN Cc1cccc(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000159744441 239034842 /nfs/dbraw/zinc/03/48/42/239034842.db2.gz OJXHFUVLTMJRCN-UHFFFAOYSA-N 0 1 338.360 2.563 20 5 EFBDMN Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000191811898 239314414 /nfs/dbraw/zinc/31/44/14/239314414.db2.gz ADWHGYQCDRPNBW-UHFFFAOYSA-N 0 1 348.384 2.680 20 5 EFBDMN C[C@H]1CC[C@@H](CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)O1 ZINC000175993878 239296167 /nfs/dbraw/zinc/29/61/67/239296167.db2.gz JCOJSQWMXCHOID-GWCFXTLKSA-N 0 1 345.359 2.666 20 5 EFBDMN Cc1cnc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000177857744 239392470 /nfs/dbraw/zinc/39/24/70/239392470.db2.gz RODHBCXVTVTBHR-QMMMGPOBSA-N 0 1 331.357 2.727 20 5 EFBDMN Nc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccccn3)CC2)c1 ZINC000192780580 239879384 /nfs/dbraw/zinc/87/93/84/239879384.db2.gz JVIPAPAKQXFOEB-UHFFFAOYSA-N 0 1 327.388 2.649 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000023133200 212353210 /nfs/dbraw/zinc/35/32/10/212353210.db2.gz UCADMLAJLVXGPI-CQSZACIVSA-N 0 1 349.412 2.698 20 5 EFBDMN CCCCc1nc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2[nH]1 ZINC000194111971 240138399 /nfs/dbraw/zinc/13/83/99/240138399.db2.gz GTHPIRQCXDKJCV-UHFFFAOYSA-N 0 1 342.359 2.649 20 5 EFBDMN COc1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000194716841 240175508 /nfs/dbraw/zinc/17/55/08/240175508.db2.gz WCZJMTUVLSDYQX-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000194777655 240178350 /nfs/dbraw/zinc/17/83/50/240178350.db2.gz QDQKDQFCSJRGDR-UHFFFAOYSA-N 0 1 328.303 2.849 20 5 EFBDMN COc1cccc(C(=O)NC[C@@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000195319592 240214143 /nfs/dbraw/zinc/21/41/43/240214143.db2.gz BLQSOSGTNCPVRT-LBPRGKRZSA-N 0 1 349.412 2.698 20 5 EFBDMN Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365498115 242327657 /nfs/dbraw/zinc/32/76/57/242327657.db2.gz ZNVBZMGBPNWMSH-LBPRGKRZSA-N 0 1 345.359 2.616 20 5 EFBDMN Cn1nccc1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365498115 242327663 /nfs/dbraw/zinc/32/76/63/242327663.db2.gz ZNVBZMGBPNWMSH-LBPRGKRZSA-N 0 1 345.359 2.616 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@](C)(C(=O)OC)C1 ZINC000412059921 243108498 /nfs/dbraw/zinc/10/84/98/243108498.db2.gz DLTHUGDLRAOVQK-KRWDZBQOSA-N 0 1 336.388 2.769 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000412220979 243210610 /nfs/dbraw/zinc/21/06/10/243210610.db2.gz AZDRWVSYYNHCKR-OSRSDYAFSA-N 0 1 331.416 2.639 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@@H]1C ZINC000412234809 243220444 /nfs/dbraw/zinc/22/04/44/243220444.db2.gz QJFFWSILOKBMQC-KBPBESRZSA-N 0 1 349.431 2.937 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000246529452 243268575 /nfs/dbraw/zinc/26/85/75/243268575.db2.gz CMPIWPSGOIHYDZ-OLZOCXBDSA-N 0 1 335.404 2.910 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C)C[C@H](C)C1 ZINC000246529452 243268582 /nfs/dbraw/zinc/26/85/82/243268582.db2.gz CMPIWPSGOIHYDZ-OLZOCXBDSA-N 0 1 335.404 2.910 20 5 EFBDMN CCc1nc(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n[nH]1 ZINC000253494092 244003866 /nfs/dbraw/zinc/00/38/66/244003866.db2.gz WJUHVQXAKFEVEN-ZETCQYMHSA-N 0 1 339.352 2.534 20 5 EFBDMN CCc1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC000253494092 244003872 /nfs/dbraw/zinc/00/38/72/244003872.db2.gz WJUHVQXAKFEVEN-ZETCQYMHSA-N 0 1 339.352 2.534 20 5 EFBDMN CCc1ccc([C@H](NC[C@H]2CNC(=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414199961 244043718 /nfs/dbraw/zinc/04/37/18/244043718.db2.gz LEURIDJHSNFGDV-KZULUSFZSA-N 0 1 343.383 2.565 20 5 EFBDMN CCOC(=O)c1cc(-c2nc([C@H](N)CC(C)C)no2)cc([N+](=O)[O-])c1 ZINC000414615543 244255151 /nfs/dbraw/zinc/25/51/51/244255151.db2.gz IQGKMCGECFRDFR-CYBMUJFWSA-N 0 1 348.359 2.867 20 5 EFBDMN COc1ccc(NC(=O)[C@H](C)N2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419380481 245393002 /nfs/dbraw/zinc/39/30/02/245393002.db2.gz XRTUWGXCLKVVRY-CYDGBPFRSA-N 0 1 335.404 2.907 20 5 EFBDMN COc1ccc(NC(=O)[C@H](C)N2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419380488 245395192 /nfs/dbraw/zinc/39/51/92/245395192.db2.gz XRTUWGXCLKVVRY-RVMXOQNASA-N 0 1 335.404 2.907 20 5 EFBDMN Cc1nc(C)c(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000078950138 217156117 /nfs/dbraw/zinc/15/61/17/217156117.db2.gz OJUBCMBZVHHOMC-LBPRGKRZSA-N 0 1 333.417 2.750 20 5 EFBDMN COc1ccc(C(=O)N2CCN(C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000080957945 217344496 /nfs/dbraw/zinc/34/44/96/217344496.db2.gz PSTXKJRIQIENRX-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000264880070 247002792 /nfs/dbraw/zinc/00/27/92/247002792.db2.gz CKOIXOHPRFIYNJ-CQSZACIVSA-N 0 1 328.372 2.782 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000264960340 247088926 /nfs/dbraw/zinc/08/89/26/247088926.db2.gz MAVRLHXRBOQHOQ-KRWDZBQOSA-N 0 1 328.372 2.820 20 5 EFBDMN CCOc1ccc(NC(=O)CN2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426474045 247285723 /nfs/dbraw/zinc/28/57/23/247285723.db2.gz ZAJPZAALOQARBI-IUODEOHRSA-N 0 1 333.388 2.806 20 5 EFBDMN O=C(NCc1nc2ccccc2s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427686527 247382738 /nfs/dbraw/zinc/38/27/38/247382738.db2.gz FFTKFSHGIXGHAM-UHFFFAOYSA-N 0 1 329.337 2.840 20 5 EFBDMN C[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000266140930 248125605 /nfs/dbraw/zinc/12/56/05/248125605.db2.gz HBNYBSWZSJJIQJ-SECBINFHSA-N 0 1 339.193 2.942 20 5 EFBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)c1 ZINC000442239230 250074333 /nfs/dbraw/zinc/07/43/33/250074333.db2.gz CHOCVIPAASPGDD-UHFFFAOYSA-N 0 1 344.352 2.786 20 5 EFBDMN Cc1ccc(CN2CCC(N3CCCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000093741554 218245652 /nfs/dbraw/zinc/24/56/52/218245652.db2.gz CWTJEGQTMCVIOX-UHFFFAOYSA-N 0 1 331.416 2.880 20 5 EFBDMN COC(=O)c1cc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000444039598 250253066 /nfs/dbraw/zinc/25/30/66/250253066.db2.gz MXUNFTCJRQASLC-GRYCIOLGSA-N 0 1 349.387 2.581 20 5 EFBDMN CC(C)C[C@]1(CO)CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444715910 250333185 /nfs/dbraw/zinc/33/31/85/250333185.db2.gz NWQNEVIUDXNEKB-KRWDZBQOSA-N 0 1 332.404 2.844 20 5 EFBDMN CCO[C@@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000449499546 251044792 /nfs/dbraw/zinc/04/47/92/251044792.db2.gz TYXYEVTWWHLBCD-IUODEOHRSA-N 0 1 338.404 2.859 20 5 EFBDMN CC[C@@H](N[C@@H](C)C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000267445365 251062392 /nfs/dbraw/zinc/06/23/92/251062392.db2.gz PYESYUNBOHTNTN-JOYOIKCWSA-N 0 1 333.310 2.703 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000449746044 251137729 /nfs/dbraw/zinc/13/77/29/251137729.db2.gz QAKHIRQBOFENRW-DKGMDFAASA-N 0 1 346.431 2.734 20 5 EFBDMN CCCCO[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C ZINC000267779386 251338657 /nfs/dbraw/zinc/33/86/57/251338657.db2.gz MDGUBXNTKCBCIL-NEPJUHHUSA-N 0 1 338.408 2.682 20 5 EFBDMN C[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])CN1CCOCC1 ZINC000450349857 251354151 /nfs/dbraw/zinc/35/41/51/251354151.db2.gz VPNCRPAQQBEFTI-ZDUSSCGKSA-N 0 1 330.388 2.523 20 5 EFBDMN C[C@]12CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452054986 251770741 /nfs/dbraw/zinc/77/07/41/251770741.db2.gz SRKBROMJYSTVEB-KYZVSKTDSA-N 0 1 329.400 2.901 20 5 EFBDMN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC000453436534 252038027 /nfs/dbraw/zinc/03/80/27/252038027.db2.gz LHCDEHTVBGJRHP-HUUCEWRRSA-N 0 1 341.411 2.993 20 5 EFBDMN Cc1ccc(CN[C@H](C)C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000453625075 252056396 /nfs/dbraw/zinc/05/63/96/252056396.db2.gz ZJGCUFLYIUKWSF-OAHLLOKOSA-N 0 1 341.411 2.740 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000454135037 252151301 /nfs/dbraw/zinc/15/13/01/252151301.db2.gz PMBVVHOVJRPCJF-GFCCVEGCSA-N 0 1 336.392 2.551 20 5 EFBDMN C[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268822703 252273070 /nfs/dbraw/zinc/27/30/70/252273070.db2.gz SMVHOTVDGQKELQ-CQSZACIVSA-N 0 1 348.424 2.860 20 5 EFBDMN O=c1[nH]nc([C@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)o1 ZINC000375042061 285079816 /nfs/dbraw/zinc/07/98/16/285079816.db2.gz KGGSAEDTBCGCNO-JTQLQIEISA-N 0 1 341.327 2.616 20 5 EFBDMN CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000112699663 220377287 /nfs/dbraw/zinc/37/72/87/220377287.db2.gz YKVGDECJXRBFEB-HNNXBMFYSA-N 0 1 333.432 2.969 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1N1CCC(CCN2CCOCC2)CC1 ZINC000341853780 285155985 /nfs/dbraw/zinc/15/59/85/285155985.db2.gz OPRPXRDLDQNQNS-UHFFFAOYSA-N 0 1 337.395 2.673 20 5 EFBDMN O=[N+]([O-])c1ccccc1N1CCN(CCCO[C@@H]2CCCCO2)CC1 ZINC000338255309 285163540 /nfs/dbraw/zinc/16/35/40/285163540.db2.gz ZJFVHXWGDXJNHC-GOSISDBHSA-N 0 1 349.431 2.650 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@]2(CCSC2)C1 ZINC000456886269 255665275 /nfs/dbraw/zinc/66/52/75/255665275.db2.gz XZGYCORIGPYWIN-MRXNPFEDSA-N 0 1 346.412 2.830 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000458297708 255730588 /nfs/dbraw/zinc/73/05/88/255730588.db2.gz ZABJVCPNDNYXFN-SNVBAGLBSA-N 0 1 334.351 2.723 20 5 EFBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000119604105 221357735 /nfs/dbraw/zinc/35/77/35/221357735.db2.gz VFTFJSXGAKRTRA-CYBMUJFWSA-N 0 1 325.368 2.835 20 5 EFBDMN C[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178652273 533455698 /nfs/dbraw/zinc/45/56/98/533455698.db2.gz UCEJYFAPYLYPFL-CYBMUJFWSA-N 0 1 348.424 2.990 20 5 EFBDMN C[C@@](O)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000344445725 142018228 /nfs/dbraw/zinc/01/82/28/142018228.db2.gz JVBLADBXCSIUDQ-MRXNPFEDSA-N 0 1 333.413 2.969 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c1[N+](=O)[O-] ZINC000344456975 142019999 /nfs/dbraw/zinc/01/99/99/142019999.db2.gz KZMBODCQENJBCJ-MRVPVSSYSA-N 0 1 336.298 2.664 20 5 EFBDMN CCNc1ccc(C(=O)N2[C@H](C)CN(CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000344462260 142020975 /nfs/dbraw/zinc/02/09/75/142020975.db2.gz QTGAWNVGEOZGAI-BETUJISGSA-N 0 1 334.420 2.581 20 5 EFBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[C@H]1C ZINC000344570007 142042149 /nfs/dbraw/zinc/04/21/49/142042149.db2.gz GTSUXSGTAHQYGJ-GFCCVEGCSA-N 0 1 337.445 2.873 20 5 EFBDMN COc1c(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)c(C)nn1C ZINC000344870245 142090501 /nfs/dbraw/zinc/09/05/01/142090501.db2.gz SJUYHIALCBSQTI-WQLSENKSSA-N 0 1 330.388 2.838 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC000344890435 142093160 /nfs/dbraw/zinc/09/31/60/142093160.db2.gz QFTNKDDPKCDMKU-UHFFFAOYSA-N 0 1 341.327 2.582 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C ZINC000345938414 142120616 /nfs/dbraw/zinc/12/06/16/142120616.db2.gz BXWSKZKDCCKEPY-VXGBXAGGSA-N 0 1 330.388 2.631 20 5 EFBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000347430622 142215296 /nfs/dbraw/zinc/21/52/96/142215296.db2.gz DNLADKRXFREBLD-UHFFFAOYSA-N 0 1 346.387 2.653 20 5 EFBDMN O=C([C@@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000347442567 142217270 /nfs/dbraw/zinc/21/72/70/142217270.db2.gz HLCCVBCILPCTID-GFCCVEGCSA-N 0 1 337.807 2.693 20 5 EFBDMN COc1ccc(-c2ccc(CN[C@H]3C=C[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000347779856 142270413 /nfs/dbraw/zinc/27/04/13/142270413.db2.gz QHBIPUVRMYAANQ-OLZOCXBDSA-N 0 1 344.367 2.890 20 5 EFBDMN CCc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000347843896 142280879 /nfs/dbraw/zinc/28/08/79/142280879.db2.gz AHWUSHFSEQZMLG-HNNXBMFYSA-N 0 1 327.388 2.634 20 5 EFBDMN CN(c1ccccc1)c1ccc(CN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000349792221 142360025 /nfs/dbraw/zinc/36/00/25/142360025.db2.gz UTULEIRSNYIOFE-MRXNPFEDSA-N 0 1 327.384 2.929 20 5 EFBDMN COc1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000341221267 145016229 /nfs/dbraw/zinc/01/62/29/145016229.db2.gz UMYGFGRIBJEYJP-LLVKDONJSA-N 0 1 329.356 2.553 20 5 EFBDMN O=C(NCCOC1CCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342205646 145080139 /nfs/dbraw/zinc/08/01/39/145080139.db2.gz RHEQCYNGYSEMBA-UHFFFAOYSA-N 0 1 332.360 2.550 20 5 EFBDMN Cn1nncc1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000342248437 145086951 /nfs/dbraw/zinc/08/69/51/145086951.db2.gz OHOZWCDWLMJFGQ-UHFFFAOYSA-N 0 1 329.385 2.742 20 5 EFBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCc2cn[nH]c21 ZINC000342656875 145167201 /nfs/dbraw/zinc/16/72/01/145167201.db2.gz OYSZDCVVQRSEKZ-ZDUSSCGKSA-N 0 1 349.778 2.848 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000342724612 145179945 /nfs/dbraw/zinc/17/99/45/145179945.db2.gz KXZHXJWSWDIVKT-HUUCEWRRSA-N 0 1 345.374 2.781 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000342724614 145180212 /nfs/dbraw/zinc/18/02/12/145180212.db2.gz KXZHXJWSWDIVKT-LSDHHAIUSA-N 0 1 345.374 2.781 20 5 EFBDMN COC[C@H]1CCCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000342744199 145183403 /nfs/dbraw/zinc/18/34/03/145183403.db2.gz RWQHBUSRVLLXNK-AWEZNQCLSA-N 0 1 335.404 2.590 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC=C(c2ccncc2)C1 ZINC000343562249 145238229 /nfs/dbraw/zinc/23/82/29/145238229.db2.gz IZOMUKJUOKPGJA-UHFFFAOYSA-N 0 1 325.324 2.625 20 5 EFBDMN O=C1NC[C@H]2[C@@H]1CCCN2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000343622021 145255185 /nfs/dbraw/zinc/25/51/85/145255185.db2.gz MYBHDFWEOBWYTE-HOTGVXAUSA-N 0 1 341.367 2.565 20 5 EFBDMN Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n[nH]1 ZINC000343905115 145321370 /nfs/dbraw/zinc/32/13/70/145321370.db2.gz BIDNCSJEDGNOFO-SECBINFHSA-N 0 1 342.334 2.817 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](C2CC2)C1 ZINC000344004057 145343035 /nfs/dbraw/zinc/34/30/35/145343035.db2.gz KGMUHKCFTJURSM-YPMHNXCESA-N 0 1 333.388 2.662 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](C2CC2)C1 ZINC000344004043 145343285 /nfs/dbraw/zinc/34/32/85/145343285.db2.gz KGMUHKCFTJURSM-AAEUAGOBSA-N 0 1 333.388 2.662 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(F)cc2O)c1 ZINC000350731019 146084823 /nfs/dbraw/zinc/08/48/23/146084823.db2.gz XTOFMOWZOCFEMT-UHFFFAOYSA-N 0 1 340.332 2.857 20 5 EFBDMN Cc1ccc(S(=O)(=O)Nc2ncccc2Cl)c([N+](=O)[O-])c1 ZINC000351511592 146135028 /nfs/dbraw/zinc/13/50/28/146135028.db2.gz PPZYBXZXDWKUMJ-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN COC(=O)c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C)cc1C ZINC000351779491 146202283 /nfs/dbraw/zinc/20/22/83/146202283.db2.gz XXKVJZVFPPLNLZ-UHFFFAOYSA-N 0 1 344.323 2.956 20 5 EFBDMN Cc1cc(C(=O)N2CC(N(C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000352860250 146333666 /nfs/dbraw/zinc/33/36/66/146333666.db2.gz XHUGOPIYXAWTKS-UHFFFAOYSA-N 0 1 339.395 2.860 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000352873615 146337540 /nfs/dbraw/zinc/33/75/40/146337540.db2.gz XYSLMHXHKQLLMD-UHFFFAOYSA-N 0 1 339.395 2.860 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCCC[C@H]1C[C@@H](C)O ZINC000352876461 146337980 /nfs/dbraw/zinc/33/79/80/146337980.db2.gz MZTHAAWQANKIQS-CABCVRRESA-N 0 1 349.431 2.857 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCCC[C@@H]1C[C@@H](C)O ZINC000352876464 146338125 /nfs/dbraw/zinc/33/81/25/146338125.db2.gz MZTHAAWQANKIQS-HUUCEWRRSA-N 0 1 349.431 2.857 20 5 EFBDMN Cc1n[nH]c(C(F)F)c1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000355632361 147017825 /nfs/dbraw/zinc/01/78/25/147017825.db2.gz WWTQYRGLRHOWOH-UHFFFAOYSA-N 0 1 325.275 2.615 20 5 EFBDMN O=C(Nc1cccnc1N1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355646969 147022504 /nfs/dbraw/zinc/02/25/04/147022504.db2.gz CBXLQEKZZLXSPI-UHFFFAOYSA-N 0 1 342.355 2.938 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC12CCCCC2 ZINC000356132976 147155765 /nfs/dbraw/zinc/15/57/65/147155765.db2.gz PUWYWBVBRPFYSC-GFCCVEGCSA-N 0 1 328.365 2.735 20 5 EFBDMN CCSc1nnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)s1 ZINC000356306264 147207217 /nfs/dbraw/zinc/20/72/17/147207217.db2.gz AZKRHGUJKAQTBJ-UHFFFAOYSA-N 0 1 326.359 2.516 20 5 EFBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000356357436 147222876 /nfs/dbraw/zinc/22/28/76/147222876.db2.gz YLQQCZDDGWYNLL-GUTXKFCHSA-N 0 1 347.415 2.778 20 5 EFBDMN O=C(NCCc1ccc(Cl)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356357516 147223065 /nfs/dbraw/zinc/22/30/65/147223065.db2.gz YQTSASODSBVBGA-UHFFFAOYSA-N 0 1 326.761 2.988 20 5 EFBDMN COc1ccc(CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1C ZINC000356512888 147264727 /nfs/dbraw/zinc/26/47/27/147264727.db2.gz MUXXLYABJUOEEN-UHFFFAOYSA-N 0 1 330.340 2.890 20 5 EFBDMN Cc1ccc(-c2n[nH]c(SCc3c([N+](=O)[O-])ncn3C)n2)cc1 ZINC000356563848 147277609 /nfs/dbraw/zinc/27/76/09/147277609.db2.gz IWSKHCBXOPJCFA-UHFFFAOYSA-N 0 1 330.373 2.714 20 5 EFBDMN COC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356636080 147296222 /nfs/dbraw/zinc/29/62/22/147296222.db2.gz TZPRXGAJOJRCAD-INIZCTEOSA-N 0 1 344.367 2.630 20 5 EFBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000356735092 147322846 /nfs/dbraw/zinc/32/28/46/147322846.db2.gz WLBPUIHSEKLUGW-CCGUKBGLSA-N 0 1 348.380 2.529 20 5 EFBDMN C[C@@H]1[C@H](C)N(C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357001607 147396417 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EFBDMN COc1c(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cccc1[N+](=O)[O-] ZINC000359844290 148205873 /nfs/dbraw/zinc/20/58/73/148205873.db2.gz NDSLKUOKUSYQTP-UHFFFAOYSA-N 0 1 343.299 2.542 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000360391103 148349329 /nfs/dbraw/zinc/34/93/29/148349329.db2.gz BTEUPUNPHLAILA-NWDGAFQWSA-N 0 1 336.392 2.550 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC1CC1 ZINC000360794935 148453751 /nfs/dbraw/zinc/45/37/51/148453751.db2.gz BMZATDWFKSCFIP-UHFFFAOYSA-N 0 1 339.200 2.980 20 5 EFBDMN Nc1ccc(-c2noc(-c3cccc(-c4nnc[nH]4)c3)n2)cc1[N+](=O)[O-] ZINC000364098490 149068286 /nfs/dbraw/zinc/06/82/86/149068286.db2.gz FRKXIUJXTRFJMZ-UHFFFAOYSA-N 0 1 349.310 2.679 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000367989398 150003717 /nfs/dbraw/zinc/00/37/17/150003717.db2.gz XHALAWOFZKSABV-CQSZACIVSA-N 0 1 336.779 2.771 20 5 EFBDMN CO[C@@]1(C)CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000373647577 151204833 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CCN1CCCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186018874 265055144 /nfs/dbraw/zinc/05/51/44/265055144.db2.gz IHTFFUNSCRNYKC-AWEZNQCLSA-N 0 1 325.796 2.739 20 5 EFBDMN CCc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000187158744 265089576 /nfs/dbraw/zinc/08/95/76/265089576.db2.gz NCLREQNRHBLFFB-UHFFFAOYSA-N 0 1 336.369 2.967 20 5 EFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC1(O)CCCCCC1 ZINC000187344166 265094816 /nfs/dbraw/zinc/09/48/16/265094816.db2.gz MCZXFGYSVGRNCP-CQSZACIVSA-N 0 1 349.431 2.939 20 5 EFBDMN O=[N+]([O-])c1cccc(N2CCN(CCOc3ccccc3)CC2)c1 ZINC000047745190 272982598 /nfs/dbraw/zinc/98/25/98/272982598.db2.gz YFJSVYWNQSBZAN-UHFFFAOYSA-N 0 1 327.384 2.796 20 5 EFBDMN COc1cccc(C(=O)N2CCN(C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000194532774 265375734 /nfs/dbraw/zinc/37/57/34/265375734.db2.gz HXEBIDUATFWFHV-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN CCN(CC(C)(C)O)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270707367 265783934 /nfs/dbraw/zinc/78/39/34/265783934.db2.gz HBORFMKAZVJQIJ-SNVBAGLBSA-N 0 1 343.811 2.668 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[nH]1 ZINC000270777711 265803975 /nfs/dbraw/zinc/80/39/75/265803975.db2.gz RXIKTPRUAJLPCR-QMMMGPOBSA-N 0 1 329.316 2.513 20 5 EFBDMN CC[C@H]1CC[C@H](C)N1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271580069 266010921 /nfs/dbraw/zinc/01/09/21/266010921.db2.gz RSZIEMJHLVWUSS-QWRGUYRKSA-N 0 1 335.360 2.525 20 5 EFBDMN COc1cccc([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000271614703 266021736 /nfs/dbraw/zinc/02/17/36/266021736.db2.gz CBBJXGYOWDJNMZ-CYBMUJFWSA-N 0 1 343.383 2.917 20 5 EFBDMN CN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000271993096 266117774 /nfs/dbraw/zinc/11/77/74/266117774.db2.gz GRQBZMGOEPCXNZ-MOPGFXCFSA-N 0 1 341.411 2.617 20 5 EFBDMN Cc1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)n[nH]1 ZINC000272078435 266146297 /nfs/dbraw/zinc/14/62/97/266146297.db2.gz JAPQVTSZXHGUOQ-UHFFFAOYSA-N 0 1 332.335 2.785 20 5 EFBDMN COCCCN(C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272275888 266213252 /nfs/dbraw/zinc/21/32/52/266213252.db2.gz MDBGXURSLBCBLM-UHFFFAOYSA-N 0 1 348.346 2.716 20 5 EFBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272343951 266234829 /nfs/dbraw/zinc/23/48/29/266234829.db2.gz NLYNSCLRITVMMT-GFCCVEGCSA-N 0 1 336.298 2.604 20 5 EFBDMN COc1cc(CNC[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272411091 266257954 /nfs/dbraw/zinc/25/79/54/266257954.db2.gz KUQHUFLUUMHHIA-LLVKDONJSA-N 0 1 346.330 2.516 20 5 EFBDMN COc1c(C)cnc(CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)c1C ZINC000272449399 266268764 /nfs/dbraw/zinc/26/87/64/266268764.db2.gz ANSRBUQMSUZKNZ-UHFFFAOYSA-N 0 1 345.355 2.593 20 5 EFBDMN Cc1ccccc1N1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272572032 266310621 /nfs/dbraw/zinc/31/06/21/266310621.db2.gz JVCGZDWKYSPEBP-UHFFFAOYSA-N 0 1 341.367 2.571 20 5 EFBDMN O=C(Nc1ccc(N2CCCCC2)nc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272579139 266314364 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RAAUXSNNRMVVHE-DOMZBBRYSA-N 0 1 344.367 2.585 20 5 EFBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000272705243 266357492 /nfs/dbraw/zinc/35/74/92/266357492.db2.gz VTHDOVKHKSZIJM-ZUZCIYMTSA-N 0 1 348.380 2.964 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000273574896 266521438 /nfs/dbraw/zinc/52/14/38/266521438.db2.gz YIEFTQIMCXOHFX-VIFPVBQESA-N 0 1 337.405 2.774 20 5 EFBDMN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCCOC1 ZINC000107693771 273008085 /nfs/dbraw/zinc/00/80/85/273008085.db2.gz BFPWKQFWLZTWSI-GFCCVEGCSA-N 0 1 332.360 2.503 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277664481 267227476 /nfs/dbraw/zinc/22/74/76/267227476.db2.gz FDAODNNWXPJZGD-BXUZGUMPSA-N 0 1 348.321 2.609 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277747015 267251673 /nfs/dbraw/zinc/25/16/73/267251673.db2.gz LFYPFISDLXKGSV-FZMZJTMJSA-N 0 1 348.321 2.609 20 5 EFBDMN Cc1cc(C(F)(F)F)ccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000190491758 273059908 /nfs/dbraw/zinc/05/99/08/273059908.db2.gz XKOODVQYHOJVDG-UHFFFAOYSA-N 0 1 328.250 2.575 20 5 EFBDMN CCO[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1(C)C ZINC000269481724 273081268 /nfs/dbraw/zinc/08/12/68/273081268.db2.gz KMTGXNFMWYSCNJ-MNOVXSKESA-N 0 1 338.408 2.717 20 5 EFBDMN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000269512319 273082633 /nfs/dbraw/zinc/08/26/33/273082633.db2.gz UUVABVXIQTZNLW-UHFFFAOYSA-N 0 1 345.321 2.781 20 5 EFBDMN Cc1c(CC(=O)NC[C@H](c2ccsc2)N(C)C)cccc1[N+](=O)[O-] ZINC000269602540 273085063 /nfs/dbraw/zinc/08/50/63/273085063.db2.gz HVYZIZGMFGOVCY-MRXNPFEDSA-N 0 1 347.440 2.926 20 5 EFBDMN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272680213 273113992 /nfs/dbraw/zinc/11/39/92/273113992.db2.gz NIVVOFDPLVGDKD-CYBMUJFWSA-N 0 1 334.372 2.912 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000277066271 273145407 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EFBDMN Cc1cc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000280099954 273290710 /nfs/dbraw/zinc/29/07/10/273290710.db2.gz AWUOTBQILZSALE-ACJLOTCBSA-N 0 1 343.383 2.836 20 5 EFBDMN Cc1cc(N2C[C@H](C)O[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000280099962 273290716 /nfs/dbraw/zinc/29/07/16/273290716.db2.gz AWUOTBQILZSALE-UGSOOPFHSA-N 0 1 343.383 2.836 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@](C)(O)CC1 ZINC000280119843 273292958 /nfs/dbraw/zinc/29/29/58/273292958.db2.gz PXEBUOVLSJWTFH-YVEFUNNKSA-N 0 1 346.387 2.943 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@H](c3ccc(C)cc3C)C2)c1[N+](=O)[O-] ZINC000280141122 273295416 /nfs/dbraw/zinc/29/54/16/273295416.db2.gz TYHNAKNAMJELSD-ZDUSSCGKSA-N 0 1 328.372 2.873 20 5 EFBDMN CO[C@@]1(C)CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280237649 273305735 /nfs/dbraw/zinc/30/57/35/273305735.db2.gz AUCHSLGOBKDZEI-DYVFJYSZSA-N 0 1 335.404 2.813 20 5 EFBDMN C[C@@H](CO)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCC1 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C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC(C)(C)O1 ZINC000294626466 295196494 /nfs/dbraw/zinc/19/64/94/295196494.db2.gz FSKLPIYGEWHXQF-LLVKDONJSA-N 0 1 344.371 2.624 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N(CC(F)F)C1CC1 ZINC000294641518 295199228 /nfs/dbraw/zinc/19/92/28/295199228.db2.gz OXUKTEUPSIFWAM-UHFFFAOYSA-N 0 1 336.298 2.855 20 5 EFBDMN CCN(CC)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccco1 ZINC000294652264 295200797 /nfs/dbraw/zinc/20/07/97/295200797.db2.gz HNCXBSFDJXWLQJ-CYBMUJFWSA-N 0 1 325.409 2.614 20 5 EFBDMN Cc1cc(Cl)c(C(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000294941307 295248811 /nfs/dbraw/zinc/24/88/11/295248811.db2.gz VIZZZLJUOWHITI-UHFFFAOYSA-N 0 1 325.796 2.772 20 5 EFBDMN CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CCN1Cc1ccccc1 ZINC000295092158 295267220 /nfs/dbraw/zinc/26/72/20/295267220.db2.gz SHICVMPETHFDMI-INIZCTEOSA-N 0 1 341.415 2.794 20 5 EFBDMN COc1c(C)cnc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000295101011 295268233 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EFBDMN CC[C@@H](C)N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000296090725 295423008 /nfs/dbraw/zinc/42/30/08/295423008.db2.gz PQKZSRSHDWVZOC-CYBMUJFWSA-N 0 1 345.403 2.561 20 5 EFBDMN CCn1cc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000296229068 295444637 /nfs/dbraw/zinc/44/46/37/295444637.db2.gz WMEGOXOYPHAHOS-QWHCGFSZSA-N 0 1 345.403 2.797 20 5 EFBDMN CC1(C)[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCO[C@@H]21 ZINC000296334265 295460118 /nfs/dbraw/zinc/46/01/18/295460118.db2.gz QWRQWKPNJOSUMC-CFVMTHIKSA-N 0 1 344.371 2.548 20 5 EFBDMN Cc1nc(NC[C@@H](c2ccco2)N2CCCCC2)ncc1[N+](=O)[O-] ZINC000296600042 310828808 /nfs/dbraw/zinc/82/88/08/310828808.db2.gz SRUXYBMHNBIVCT-AWEZNQCLSA-N 0 1 331.376 2.925 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000296978274 310838014 /nfs/dbraw/zinc/83/80/14/310838014.db2.gz PBTHAIWAOLCASN-GFCCVEGCSA-N 0 1 337.445 2.873 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000298312305 310977497 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Cc1[nH]nc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000299454246 311086544 /nfs/dbraw/zinc/08/65/44/311086544.db2.gz UJBBIFWFQWKDCX-UHFFFAOYSA-N 0 1 342.277 2.917 20 5 EFBDMN COc1ccnc(N2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000301213486 311124657 /nfs/dbraw/zinc/12/46/57/311124657.db2.gz WIWIJKXYFWPUOX-UHFFFAOYSA-N 0 1 328.372 2.633 20 5 EFBDMN C[C@H](CN1CCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301297657 311129725 /nfs/dbraw/zinc/12/97/25/311129725.db2.gz SNBDMDNNQNEQAB-OAHLLOKOSA-N 0 1 341.415 2.612 20 5 EFBDMN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000301456162 311138359 /nfs/dbraw/zinc/13/83/59/311138359.db2.gz WVPNULUMXPRIBA-QWRGUYRKSA-N 0 1 347.337 2.505 20 5 EFBDMN C[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CN1CCOCC1 ZINC000301464850 311139001 /nfs/dbraw/zinc/13/90/01/311139001.db2.gz GYJGIMNOXHTIQT-LLVKDONJSA-N 0 1 347.337 2.994 20 5 EFBDMN Cc1cc(NC[C@@H](C)CN2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000301486518 311140259 /nfs/dbraw/zinc/14/02/59/311140259.db2.gz XPUHGNPVJHWINS-LLVKDONJSA-N 0 1 327.812 2.937 20 5 EFBDMN CC(=O)c1ccc(N2CCC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000301627573 311148395 /nfs/dbraw/zinc/14/83/95/311148395.db2.gz BHWAMDAXSQYNFB-ZDUSSCGKSA-N 0 1 329.360 2.608 20 5 EFBDMN CC(=O)c1ccc(N2CCC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000301627573 311148396 /nfs/dbraw/zinc/14/83/96/311148396.db2.gz BHWAMDAXSQYNFB-ZDUSSCGKSA-N 0 1 329.360 2.608 20 5 EFBDMN Cc1nc(NCC2(N3CCOCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000301640224 311149347 /nfs/dbraw/zinc/14/93/47/311149347.db2.gz LZPJJLLCDVLRHJ-UHFFFAOYSA-N 0 1 334.420 2.745 20 5 EFBDMN Cc1nc(NCC2(CN3CCOCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000301677655 311152012 /nfs/dbraw/zinc/15/20/12/311152012.db2.gz TWJAFYKQUHEIEJ-UHFFFAOYSA-N 0 1 348.447 2.993 20 5 EFBDMN Cc1ccnc(NCc2n[nH]c(COc3ccccc3)n2)c1[N+](=O)[O-] ZINC000302239278 311186833 /nfs/dbraw/zinc/18/68/33/311186833.db2.gz HJAWXFAZHKHNTP-UHFFFAOYSA-N 0 1 340.343 2.607 20 5 EFBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000302237497 311186848 /nfs/dbraw/zinc/18/68/48/311186848.db2.gz GNDOJFZVKAIJGV-UHFFFAOYSA-N 0 1 325.328 2.904 20 5 EFBDMN CC(=O)c1ccc(NC(C)(C)CCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000302251781 311187254 /nfs/dbraw/zinc/18/72/54/311187254.db2.gz NCZGCPDNJDNLOB-UHFFFAOYSA-N 0 1 348.447 2.625 20 5 EFBDMN C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000302470482 311190631 /nfs/dbraw/zinc/19/06/31/311190631.db2.gz CSTYFPRSOHEAMX-NSHDSACASA-N 0 1 327.812 2.530 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1N1CCN(Cc3ccccc3)CC1)CCN2 ZINC000302462643 311190540 /nfs/dbraw/zinc/19/05/40/311190540.db2.gz RTUYGWXTZBFJKO-UHFFFAOYSA-N 0 1 338.411 2.885 20 5 EFBDMN Cc1c(C(=O)N2CCNC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000313393920 311232762 /nfs/dbraw/zinc/23/27/62/311232762.db2.gz WUDGYDHWAQXPRX-KRWDZBQOSA-N 0 1 325.368 2.690 20 5 EFBDMN CCNc1ccc(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000327206455 311244922 /nfs/dbraw/zinc/24/49/22/311244922.db2.gz QCVHOWVBIQEGMK-ZFWWWQNUSA-N 0 1 346.431 2.725 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC(C)(C)[C@@H]1C ZINC000331052195 311351095 /nfs/dbraw/zinc/35/10/95/311351095.db2.gz MHZXQUDWAQSTQR-ZDUSSCGKSA-N 0 1 335.404 2.731 20 5 EFBDMN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000331273492 311363985 /nfs/dbraw/zinc/36/39/85/311363985.db2.gz CQQKSIYSJRMCJB-XUJVJEKNSA-N 0 1 346.387 2.626 20 5 EFBDMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000331273490 311364029 /nfs/dbraw/zinc/36/40/29/311364029.db2.gz CQQKSIYSJRMCJB-LALPHHSUSA-N 0 1 346.387 2.626 20 5 EFBDMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000331299643 311365816 /nfs/dbraw/zinc/36/58/16/311365816.db2.gz VPLMWSGKFDJERT-LALPHHSUSA-N 0 1 346.387 2.626 20 5 EFBDMN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000331299645 311365971 /nfs/dbraw/zinc/36/59/71/311365971.db2.gz VPLMWSGKFDJERT-XUJVJEKNSA-N 0 1 346.387 2.626 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000331414444 311375158 /nfs/dbraw/zinc/37/51/58/311375158.db2.gz BWPKPJLYGVFMJY-LBPRGKRZSA-N 0 1 346.391 2.542 20 5 EFBDMN Cc1cc([C@H]2CCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])on1 ZINC000331449640 311378560 /nfs/dbraw/zinc/37/85/60/311378560.db2.gz XFMDGGYPABMCNG-SNVBAGLBSA-N 0 1 333.348 2.715 20 5 EFBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000331497072 311383090 /nfs/dbraw/zinc/38/30/90/311383090.db2.gz LFLBXRMXYPKGGN-NSHDSACASA-N 0 1 343.305 2.580 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000331605364 311396264 /nfs/dbraw/zinc/39/62/64/311396264.db2.gz VGMQQYUDXGCQDI-MRXNPFEDSA-N 0 1 334.372 2.722 20 5 EFBDMN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309769 312206998 /nfs/dbraw/zinc/20/69/98/312206998.db2.gz KANJGFIBQDFCNZ-WBMJQRKESA-N 0 1 340.445 2.775 20 5 EFBDMN COc1cc(CNC[C@H](CC(C)C)OC)c([N+](=O)[O-])cc1OC ZINC000418101581 312326023 /nfs/dbraw/zinc/32/60/23/312326023.db2.gz QEFQUCGMMROHPU-ZDUSSCGKSA-N 0 1 326.393 2.763 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453411349 312900394 /nfs/dbraw/zinc/90/03/94/312900394.db2.gz AKHHSCNOQPZOHE-QEJZJMRPSA-N 0 1 347.415 2.798 20 5 EFBDMN O=C(NCC1(Cc2cccc(Cl)c2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000458019828 313055326 /nfs/dbraw/zinc/05/53/26/313055326.db2.gz SLVBICAKORJMIH-UHFFFAOYSA-N 0 1 334.763 2.724 20 5 EFBDMN CCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462480272 313115163 /nfs/dbraw/zinc/11/51/63/313115163.db2.gz PQBKFKXKENQTLP-UHFFFAOYSA-N 0 1 327.189 2.980 20 5 EFBDMN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000472339810 313187314 /nfs/dbraw/zinc/18/73/14/313187314.db2.gz UTQYZWRBFUMOKY-IAGOWNOFSA-N 0 1 333.432 2.859 20 5 EFBDMN COC(=O)COc1ccc(-c2nc3cccc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000473447965 313198014 /nfs/dbraw/zinc/19/80/14/313198014.db2.gz CECSHOIUWAVDLL-UHFFFAOYSA-N 0 1 341.323 2.998 20 5 EFBDMN COc1cccc2c(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)n[nH]c21 ZINC000487032425 313359788 /nfs/dbraw/zinc/35/97/88/313359788.db2.gz GSAKTFYJHQPTBT-UHFFFAOYSA-N 0 1 342.311 2.741 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494500130 314596919 /nfs/dbraw/zinc/59/69/19/314596919.db2.gz CDOBUSFKAGTGHW-TZMCWYRMSA-N 0 1 336.779 2.602 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000515531762 315625713 /nfs/dbraw/zinc/62/57/13/315625713.db2.gz VEMFCOPUWOPRMC-BLLLJJGKSA-N 0 1 331.416 2.892 20 5 EFBDMN Cc1cc(N2CC[NH+](Cc3ccco3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000516297258 315670239 /nfs/dbraw/zinc/67/02/39/315670239.db2.gz UHOUBGIZBJOFQL-UHFFFAOYSA-N 0 1 345.355 2.517 20 5 EFBDMN O=[N+]([O-])c1c(Nc2cnn(-c3ccccn3)c2)nc2sccn21 ZINC000523535997 316129073 /nfs/dbraw/zinc/12/90/73/316129073.db2.gz YYOHQUBOSCEZIN-UHFFFAOYSA-N 0 1 327.329 2.628 20 5 EFBDMN COc1ccccc1[C@H](CO)N=c1ccc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000525706154 316227963 /nfs/dbraw/zinc/22/79/63/316227963.db2.gz IKFAUPRFPOGKNY-INIZCTEOSA-N 0 1 339.351 2.719 20 5 EFBDMN COC(=O)CCC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000531479156 317272658 /nfs/dbraw/zinc/27/26/58/317272658.db2.gz IPLCFSHLNFJXDS-UHFFFAOYSA-N 0 1 347.371 2.901 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(NCc2nc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000532205501 317368919 /nfs/dbraw/zinc/36/89/19/317368919.db2.gz YYKSCZGQECJLAB-UHFFFAOYSA-N 0 1 328.307 2.835 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(NCc2n[nH]c(-c3ccc(F)cc3)n2)n1 ZINC000532205501 317368922 /nfs/dbraw/zinc/36/89/22/317368922.db2.gz YYKSCZGQECJLAB-UHFFFAOYSA-N 0 1 328.307 2.835 20 5 EFBDMN Cc1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)cc1[N+](=O)[O-] ZINC000532321990 317384834 /nfs/dbraw/zinc/38/48/34/317384834.db2.gz KVDGNUVTVXLPDJ-UHFFFAOYSA-N 0 1 346.408 2.523 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000539076782 317714693 /nfs/dbraw/zinc/71/46/93/317714693.db2.gz GGVODOBKIRRKRK-MFKMUULPSA-N 0 1 345.321 2.717 20 5 EFBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1c[nH]nc1[N+](=O)[O-] ZINC000547757556 318037741 /nfs/dbraw/zinc/03/77/41/318037741.db2.gz GVYUFKOTOMIVNN-UHFFFAOYSA-N 0 1 326.316 2.714 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000547792739 318042373 /nfs/dbraw/zinc/04/23/73/318042373.db2.gz CVCPQDPKKBJHCQ-ZDUSSCGKSA-N 0 1 339.351 2.930 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC=C(c3cccnc3)C2)c1[N+](=O)[O-] ZINC000552059949 318240386 /nfs/dbraw/zinc/24/03/86/318240386.db2.gz ABXVYJQLNVGTQK-UHFFFAOYSA-N 0 1 341.371 2.766 20 5 EFBDMN COC(=O)c1nc[nH]c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000555526626 318359233 /nfs/dbraw/zinc/35/92/33/318359233.db2.gz GEKYWXSEBPMMCH-UHFFFAOYSA-N 0 1 346.324 2.572 20 5 EFBDMN Cc1[nH]ncc1C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000556405024 318389580 /nfs/dbraw/zinc/38/95/80/318389580.db2.gz RLGGMBLZWAODNR-UHFFFAOYSA-N 0 1 343.387 2.716 20 5 EFBDMN C[C@H]1CCCC[N@H+]1CCCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000566295185 319059463 /nfs/dbraw/zinc/05/94/63/319059463.db2.gz PMPJFNHZDXXMAM-LBPRGKRZSA-N 0 1 336.392 2.755 20 5 EFBDMN O=C([O-])c1cccc(OCC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000566358516 319066522 /nfs/dbraw/zinc/06/65/22/319066522.db2.gz IDETVFJTLKRCOX-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN O=C([O-])c1cccc(OCC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000566358516 319066523 /nfs/dbraw/zinc/06/65/23/319066523.db2.gz IDETVFJTLKRCOX-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)c2conc2C(C)(C)N)cc1[N+](=O)[O-] ZINC000566473240 319081543 /nfs/dbraw/zinc/08/15/43/319081543.db2.gz HCLDWSNKNJMBBM-SNVBAGLBSA-N 0 1 332.360 2.576 20 5 EFBDMN Cc1cc(N2CC[N@H+](C3CC3)C[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567976194 319232415 /nfs/dbraw/zinc/23/24/15/319232415.db2.gz JCVSVWUAZKFHDZ-NSHDSACASA-N 0 1 333.388 2.522 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCCC3(F)F)CC2)cn1 ZINC000568473729 319286067 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CCCc1[nH]nc(C(=O)N(CC)CCc2ccccc2)c1[N+](=O)[O-] ZINC000155838391 472624632 /nfs/dbraw/zinc/62/46/32/472624632.db2.gz XCIWCKNPWJWXKB-UHFFFAOYSA-N 0 1 330.388 2.975 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1c1ncc[nH]1 ZINC000120126487 472634805 /nfs/dbraw/zinc/63/48/05/472634805.db2.gz RLUKTDOGULTFKZ-ZDUSSCGKSA-N 0 1 340.343 2.562 20 5 EFBDMN CC[C@H](NC(=O)N1CCN2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000090687219 472652199 /nfs/dbraw/zinc/65/21/99/472652199.db2.gz ATKCSZCOMDKLNM-IRXDYDNUSA-N 0 1 346.431 2.926 20 5 EFBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000060470228 472659210 /nfs/dbraw/zinc/65/92/10/472659210.db2.gz LQQGPZQNNSVXQT-LLVKDONJSA-N 0 1 331.397 2.776 20 5 EFBDMN Cc1ccc(S(=O)(=O)Nc2cccc(O)c2F)c([N+](=O)[O-])c1 ZINC000131542375 472677800 /nfs/dbraw/zinc/67/78/00/472677800.db2.gz YTIMQFXJZCKYTK-UHFFFAOYSA-N 0 1 326.305 2.549 20 5 EFBDMN Cc1ccc(CN[C@@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000131567745 472678311 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CN1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000091480259 472772315 /nfs/dbraw/zinc/77/23/15/472772315.db2.gz YTEBZKYVFABIBD-LJQANCHMSA-N 0 1 340.427 2.995 20 5 EFBDMN COc1cc(F)cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000091789304 472808207 /nfs/dbraw/zinc/80/82/07/472808207.db2.gz PRVGDQKBWIGTJH-UHFFFAOYSA-N 0 1 344.302 2.549 20 5 EFBDMN C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@H+]1C1CC1 ZINC000133520425 472812475 /nfs/dbraw/zinc/81/24/75/472812475.db2.gz FMYFHCFLFHOEIJ-JQWIXIFHSA-N 0 1 330.388 2.517 20 5 EFBDMN O=C(NCC1(c2ccc(F)cc2Cl)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000133526780 472813884 /nfs/dbraw/zinc/81/38/84/472813884.db2.gz CPAPTRZWDGNLEY-UHFFFAOYSA-N 0 1 338.726 2.572 20 5 EFBDMN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000121206766 472816064 /nfs/dbraw/zinc/81/60/64/472816064.db2.gz GLAMGPVFSFWUSO-XOKHGSTOSA-N 0 1 348.362 2.929 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(C2CC2)CCC1 ZINC000157409367 472816770 /nfs/dbraw/zinc/81/67/70/472816770.db2.gz KHJDAZYZDUAXSJ-UHFFFAOYSA-N 0 1 328.365 2.593 20 5 EFBDMN COc1ccc(CNC(C)(C)C(=O)NCC(C)(C)C)cc1[N+](=O)[O-] ZINC000121240461 472822717 /nfs/dbraw/zinc/82/27/17/472822717.db2.gz DOUXDZHBKPQKHW-UHFFFAOYSA-N 0 1 337.420 2.634 20 5 EFBDMN COc1ccc([C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000157462449 472823405 /nfs/dbraw/zinc/82/34/05/472823405.db2.gz MHYWBBGUHHGFPZ-INIZCTEOSA-N 0 1 346.387 2.646 20 5 EFBDMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000157506683 472828608 /nfs/dbraw/zinc/82/86/08/472828608.db2.gz RHVMUXMHCBXCLF-UHFFFAOYSA-N 0 1 334.295 2.667 20 5 EFBDMN Cc1ccc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000092010882 472841335 /nfs/dbraw/zinc/84/13/35/472841335.db2.gz UDKHMVNVCSDSTM-WBVHZDCISA-N 0 1 344.415 2.582 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2cc(F)ccc2C1 ZINC000092095081 472856707 /nfs/dbraw/zinc/85/67/07/472856707.db2.gz PZYRNEQWDJEPSK-UHFFFAOYSA-N 0 1 340.314 2.809 20 5 EFBDMN O=[N+]([O-])c1ccc(NCCCN2CCN(c3ccccc3)CC2)cn1 ZINC000073772144 472872042 /nfs/dbraw/zinc/87/20/42/472872042.db2.gz VTSRRTYXSLGVOQ-UHFFFAOYSA-N 0 1 341.415 2.614 20 5 EFBDMN O=C(C[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000121802593 472918708 /nfs/dbraw/zinc/91/87/08/472918708.db2.gz JNSUBWFWFFIIHV-GFCCVEGCSA-N 0 1 334.401 2.590 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1[N+](=O)[O-] ZINC000121819269 472922373 /nfs/dbraw/zinc/92/23/73/472922373.db2.gz XMMPEYOGQYLQCC-GUYCJALGSA-N 0 1 339.395 2.795 20 5 EFBDMN CS[C@@H]1CCCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000134546480 472926207 /nfs/dbraw/zinc/92/62/07/472926207.db2.gz UXAWZYKAEVGNCR-OAHLLOKOSA-N 0 1 349.456 2.701 20 5 EFBDMN CS[C@H]1CCCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000134546501 472926346 /nfs/dbraw/zinc/92/63/46/472926346.db2.gz UXAWZYKAEVGNCR-HNNXBMFYSA-N 0 1 349.456 2.701 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)OC(C)(C)C1 ZINC000065424212 472940377 /nfs/dbraw/zinc/94/03/77/472940377.db2.gz AHSGOQWKFQMXCJ-ZDUSSCGKSA-N 0 1 335.404 2.731 20 5 EFBDMN Cc1nnc(SCCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000079975605 472952170 /nfs/dbraw/zinc/95/21/70/472952170.db2.gz VHEATBAILQKETC-UHFFFAOYSA-N 0 1 349.416 2.555 20 5 EFBDMN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000107493225 472958224 /nfs/dbraw/zinc/95/82/24/472958224.db2.gz VFPVTKRHVPZPPK-TZMCWYRMSA-N 0 1 329.356 2.753 20 5 EFBDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092730258 472973915 /nfs/dbraw/zinc/97/39/15/472973915.db2.gz MBDPUCXDLQSCEG-KBPBESRZSA-N 0 1 349.431 2.817 20 5 EFBDMN COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000051128514 473027214 /nfs/dbraw/zinc/02/72/14/473027214.db2.gz KRWLIGRHMSMHJZ-UHFFFAOYSA-N 0 1 341.411 2.921 20 5 EFBDMN CC(C)OC1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000159479520 473031664 /nfs/dbraw/zinc/03/16/64/473031664.db2.gz YPLUZUSZYXCGEW-UHFFFAOYSA-N 0 1 346.387 2.937 20 5 EFBDMN Cc1nn(C)c(NC[C@H](c2ccco2)N2CCCCC2)c1[N+](=O)[O-] ZINC000051232092 473034319 /nfs/dbraw/zinc/03/43/19/473034319.db2.gz LGLZZIXYSATJBI-CYBMUJFWSA-N 0 1 333.392 2.869 20 5 EFBDMN CSC[C@@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000135419470 473068684 /nfs/dbraw/zinc/06/86/84/473068684.db2.gz LGJKVHGGPRDIAX-ZDUSSCGKSA-N 0 1 334.401 2.972 20 5 EFBDMN CSC[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000135439824 473073435 /nfs/dbraw/zinc/07/34/35/473073435.db2.gz HIUGRNFRKVWZAB-CYBMUJFWSA-N 0 1 334.401 2.972 20 5 EFBDMN C[C@H](CNc1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccc2)CC1 ZINC000052101225 473086123 /nfs/dbraw/zinc/08/61/23/473086123.db2.gz PUSPUUITHBKXPF-OAHLLOKOSA-N 0 1 341.415 2.612 20 5 EFBDMN O=C(CSc1nc(-c2cccnc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000109198143 473087053 /nfs/dbraw/zinc/08/70/53/473087053.db2.gz MMRNAEZVFOYMSB-UHFFFAOYSA-N 0 1 341.352 2.750 20 5 EFBDMN Cc1ncsc1CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000066407440 473090091 /nfs/dbraw/zinc/09/00/91/473090091.db2.gz BEDNRUOCVKDRTG-UHFFFAOYSA-N 0 1 331.357 2.508 20 5 EFBDMN C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093360054 473093277 /nfs/dbraw/zinc/09/32/77/473093277.db2.gz VGRXVTCGEWDXKV-LLVKDONJSA-N 0 1 339.392 2.645 20 5 EFBDMN Cc1cc(N2CCC(n3ccnn3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000160237119 473099907 /nfs/dbraw/zinc/09/99/07/473099907.db2.gz OQBJZIJGFSLFIX-UHFFFAOYSA-N 0 1 338.371 2.884 20 5 EFBDMN CC[C@]1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000135673189 473105973 /nfs/dbraw/zinc/10/59/73/473105973.db2.gz BFZJPJKEYZUXJL-QGZVFWFLSA-N 0 1 335.404 2.733 20 5 EFBDMN COc1cc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1OC(C)C ZINC000135799872 473113745 /nfs/dbraw/zinc/11/37/45/473113745.db2.gz LGEZIKDVIFXQHR-JTQLQIEISA-N 0 1 348.359 2.605 20 5 EFBDMN Cc1ncsc1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000066564652 473114841 /nfs/dbraw/zinc/11/48/41/473114841.db2.gz JPNZCFDJBSTQLV-UHFFFAOYSA-N 0 1 334.401 2.820 20 5 EFBDMN CCc1ncc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534227 473116178 /nfs/dbraw/zinc/11/61/78/473116178.db2.gz MQHAYDXYQVWEMD-NSHDSACASA-N 0 1 333.417 2.695 20 5 EFBDMN CC(C)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000066585370 473119232 /nfs/dbraw/zinc/11/92/32/473119232.db2.gz IVTJKSCEKNCSJN-UHFFFAOYSA-N 0 1 344.780 2.826 20 5 EFBDMN Cc1cc(N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160469929 473129626 /nfs/dbraw/zinc/12/96/26/473129626.db2.gz UMRYXCFFXJPUFJ-UXLLHSPISA-N 0 1 333.432 2.981 20 5 EFBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000136076667 473132596 /nfs/dbraw/zinc/13/25/96/473132596.db2.gz HFXVMBPFCPBNDF-UHFFFAOYSA-N 0 1 332.266 2.679 20 5 EFBDMN Cc1nc(N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)sc1C ZINC000093688824 473134406 /nfs/dbraw/zinc/13/44/06/473134406.db2.gz OETHTQJTBMSMOT-UHFFFAOYSA-N 0 1 348.428 2.696 20 5 EFBDMN Cc1noc([C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000052862965 473157025 /nfs/dbraw/zinc/15/70/25/473157025.db2.gz FZBOHBNYOBKUIP-CYBMUJFWSA-N 0 1 332.360 2.545 20 5 EFBDMN CO[C@]1(C)C[C@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000075294448 473162121 /nfs/dbraw/zinc/16/21/21/473162121.db2.gz WLKNSUFFRZRANK-SUMWQHHRSA-N 0 1 346.387 2.747 20 5 EFBDMN C[C@H](NC(=O)CN(C)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000053048711 473178025 /nfs/dbraw/zinc/17/80/25/473178025.db2.gz LJRQFOHRBQVSPD-HNNXBMFYSA-N 0 1 341.411 2.947 20 5 EFBDMN CCc1nn(C)c(NC[C@@H](C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000094134566 473180132 /nfs/dbraw/zinc/18/01/32/473180132.db2.gz ZCRLTKIOLVGCCK-CYBMUJFWSA-N 0 1 343.431 2.749 20 5 EFBDMN CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000136957822 473186585 /nfs/dbraw/zinc/18/65/85/473186585.db2.gz HYSJCFKPSGPOCW-LBPRGKRZSA-N 0 1 346.387 2.856 20 5 EFBDMN O=C(CCc1ccco1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000171484544 473398571 /nfs/dbraw/zinc/39/85/71/473398571.db2.gz ANQNFQXAIYDQCB-UHFFFAOYSA-N 0 1 327.300 2.544 20 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C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)N1 ZINC000153819606 473644261 /nfs/dbraw/zinc/64/42/61/473644261.db2.gz IZOBEKJCIFUJGH-PHIMTYICSA-N 0 1 346.412 2.541 20 5 EFBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]nnc2c1 ZINC000172573370 473645967 /nfs/dbraw/zinc/64/59/67/473645967.db2.gz LPJNIKFSCIZDPS-UHFFFAOYSA-N 0 1 339.355 2.619 20 5 EFBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000179181111 473648142 /nfs/dbraw/zinc/64/81/42/473648142.db2.gz DVBHYEPXGNGAJO-SSDOTTSWSA-N 0 1 339.149 2.571 20 5 EFBDMN Cc1ccc(CO)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172605393 473656113 /nfs/dbraw/zinc/65/61/13/473656113.db2.gz PGIFVCVYQSSJFM-UHFFFAOYSA-N 0 1 336.369 2.505 20 5 EFBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179333357 473675226 /nfs/dbraw/zinc/67/52/26/473675226.db2.gz UYLXBCMWWMDSAX-SNVBAGLBSA-N 0 1 347.400 2.672 20 5 EFBDMN CCOC(=O)[C@@H](C)[C@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000274020482 473707615 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COCC1(C)CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000354774768 475400830 /nfs/dbraw/zinc/40/08/30/475400830.db2.gz AYSSLXPEPVLZKD-UHFFFAOYSA-N 0 1 338.404 2.861 20 5 EFBDMN O=C(NCCc1cc(F)cc(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354777019 475401096 /nfs/dbraw/zinc/40/10/96/475401096.db2.gz YLHOOADJUYUIMD-UHFFFAOYSA-N 0 1 346.293 2.722 20 5 EFBDMN Cc1ccccc1CN1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000341929065 475421831 /nfs/dbraw/zinc/42/18/31/475421831.db2.gz OBXFEEPQNVKLRI-UHFFFAOYSA-N 0 1 326.400 2.929 20 5 EFBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCNC(=O)CC1 ZINC000296686841 475430168 /nfs/dbraw/zinc/43/01/68/475430168.db2.gz CDPLAXRAZFJJIE-LLVKDONJSA-N 0 1 325.796 2.596 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000358152870 475444994 /nfs/dbraw/zinc/44/49/94/475444994.db2.gz LEDVLEPNJRPEBS-GXTWGEPZSA-N 0 1 335.404 2.653 20 5 EFBDMN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331883931 475446275 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2.957 20 5 EFBDMN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccnn1C ZINC000348380058 475631002 /nfs/dbraw/zinc/63/10/02/475631002.db2.gz VIYSVTZFTYHVTN-UHFFFAOYSA-N 0 1 341.371 2.658 20 5 EFBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CCCC2)CC1 ZINC000332473812 475647486 /nfs/dbraw/zinc/64/74/86/475647486.db2.gz UGORBPQFMHOEBL-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN Cc1ccc2nc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC000358417156 475662007 /nfs/dbraw/zinc/66/20/07/475662007.db2.gz DROUNPVJHKDFDT-UHFFFAOYSA-N 0 1 342.330 2.778 20 5 EFBDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000332585973 475677003 /nfs/dbraw/zinc/67/70/03/475677003.db2.gz IMLIVNFOSLZISA-DGCLKSJQSA-N 0 1 336.367 2.824 20 5 EFBDMN COc1cc(CN[C@@H]2CCC[C@@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000348522153 475720849 /nfs/dbraw/zinc/72/08/49/475720849.db2.gz VSSLIXVUNIYFQT-PWSUYJOCSA-N 0 1 334.294 2.992 20 5 EFBDMN CC(C)c1nc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000297355622 475722801 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O=[N+]([O-])c1ccc(CN[C@H](c2nnc[nH]2)c2ccc(F)cc2)cc1 ZINC000340273911 475905862 /nfs/dbraw/zinc/90/58/62/475905862.db2.gz BVFHAYYYUAZPLH-HNNXBMFYSA-N 0 1 327.319 2.731 20 5 EFBDMN CCN1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000343267463 475907136 /nfs/dbraw/zinc/90/71/36/475907136.db2.gz UZHJYAFYOGRNJY-SNVBAGLBSA-N 0 1 328.210 2.888 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC000338452770 475918423 /nfs/dbraw/zinc/91/84/23/475918423.db2.gz JIMBUIWDESSJQA-UHFFFAOYSA-N 0 1 327.300 2.517 20 5 EFBDMN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000358783736 475933957 /nfs/dbraw/zinc/93/39/57/475933957.db2.gz FRQFVGITVWIKIR-UHFFFAOYSA-N 0 1 346.368 2.889 20 5 EFBDMN COc1ccc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000346881053 475935412 /nfs/dbraw/zinc/93/54/12/475935412.db2.gz ISFFVWLEWOQFMD-UHFFFAOYSA-N 0 1 339.311 2.641 20 5 EFBDMN CN(C)C(=O)CC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000358804710 475954030 /nfs/dbraw/zinc/95/40/30/475954030.db2.gz WNTRYSLHGSSENJ-ALCCZGGFSA-N 0 1 331.416 2.798 20 5 EFBDMN O=C(CNC/C=C\c1ccccc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000355493646 475983943 /nfs/dbraw/zinc/98/39/43/475983943.db2.gz JHFSSMYUYHOVLG-UITAMQMPSA-N 0 1 337.379 2.740 20 5 EFBDMN O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000343363550 475988386 /nfs/dbraw/zinc/98/83/86/475988386.db2.gz KKEVOOGWIDDHMN-DYVFJYSZSA-N 0 1 342.351 2.808 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000298169776 476006754 /nfs/dbraw/zinc/00/67/54/476006754.db2.gz RSQZVODVJJWCFJ-MRXNPFEDSA-N 0 1 339.395 2.908 20 5 EFBDMN Cc1nc(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cs1 ZINC000343392336 476016572 /nfs/dbraw/zinc/01/65/72/476016572.db2.gz WLXJBQBUZZWKHS-UHFFFAOYSA-N 0 1 331.357 2.508 20 5 EFBDMN CCn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000343400984 476028814 /nfs/dbraw/zinc/02/88/14/476028814.db2.gz LCWNVRNQJFVGIE-HUUCEWRRSA-N 0 1 334.351 2.570 20 5 EFBDMN COCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[C@H](C)C1 ZINC000362144971 476029987 /nfs/dbraw/zinc/02/99/87/476029987.db2.gz SOBATISMAQHKMS-ZFWWWQNUSA-N 0 1 349.431 2.979 20 5 EFBDMN Cc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000340444114 476038603 /nfs/dbraw/zinc/03/86/03/476038603.db2.gz JUNKIWMRKYQSSL-QGZVFWFLSA-N 0 1 339.395 2.794 20 5 EFBDMN COCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C)C1 ZINC000362162334 476041860 /nfs/dbraw/zinc/04/18/60/476041860.db2.gz LOYLKKKHXSNZFT-WMLDXEAASA-N 0 1 349.431 2.695 20 5 EFBDMN Cc1n[nH]c(C(F)F)c1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000353543563 476061692 /nfs/dbraw/zinc/06/16/92/476061692.db2.gz GVAZZPZPIRIMCZ-UHFFFAOYSA-N 0 1 326.259 2.581 20 5 EFBDMN C[C@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCN1C ZINC000343472928 476074783 /nfs/dbraw/zinc/07/47/83/476074783.db2.gz WGUCYPSGHXHJFX-JOYOIKCWSA-N 0 1 345.321 2.826 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000350185884 476086622 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C[C@H](NCC(=O)N1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000359076575 476168631 /nfs/dbraw/zinc/16/86/31/476168631.db2.gz WJPMBEKHVGRYIL-ZDUSSCGKSA-N 0 1 325.368 2.788 20 5 EFBDMN CN(Cc1nnc[nH]1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362348575 476187660 /nfs/dbraw/zinc/18/76/60/476187660.db2.gz KQVMCPKBEGOTCL-UHFFFAOYSA-N 0 1 328.307 2.550 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000344260980 476194781 /nfs/dbraw/zinc/19/47/81/476194781.db2.gz WMVJUBLGVMBJQN-AWEZNQCLSA-N 0 1 337.376 2.828 20 5 EFBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)CCc2cccs2)c1 ZINC000357085385 476220597 /nfs/dbraw/zinc/22/05/97/476220597.db2.gz SQXUIDYTBNPRAH-UHFFFAOYSA-N 0 1 330.362 2.780 20 5 EFBDMN CC(C)c1ccc(CN2CCC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000353750438 476246589 /nfs/dbraw/zinc/24/65/89/476246589.db2.gz OFLXRTQLLIGMMM-SFHVURJKSA-N 0 1 331.416 2.820 20 5 EFBDMN COc1ccc2c(c1)C[C@H](C)N(CCn1ccc([N+](=O)[O-])n1)[C@H]2C ZINC000359538379 476246800 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EFBDMN Cc1ccc([C@@H](C)NC(=O)NCCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000353965976 476340078 /nfs/dbraw/zinc/34/00/78/476340078.db2.gz KGSHTJUGWIDVNY-CQSZACIVSA-N 0 1 332.404 2.525 20 5 EFBDMN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357348699 476340974 /nfs/dbraw/zinc/34/09/74/476340974.db2.gz NWOOENNGYSPODC-SNVBAGLBSA-N 0 1 346.314 2.831 20 5 EFBDMN CCC(=O)c1ccc(N2CCC(c3n[nH]c(=O)o3)CC2)c([N+](=O)[O-])c1 ZINC000377358017 476366423 /nfs/dbraw/zinc/36/64/23/476366423.db2.gz LOHVVQFNKLTLCY-UHFFFAOYSA-N 0 1 346.343 2.660 20 5 EFBDMN CCc1nc(C)c(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000360795822 476392870 /nfs/dbraw/zinc/39/28/70/476392870.db2.gz JDRJZPDFPSLFMK-UHFFFAOYSA-N 0 1 341.414 2.864 20 5 EFBDMN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000360797810 476394768 /nfs/dbraw/zinc/39/47/68/476394768.db2.gz CNYGSFBMISHELM-UHFFFAOYSA-N 0 1 340.343 2.724 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCC(CCN3CCOCC3)CC2)c(F)c1 ZINC000377482628 476412568 /nfs/dbraw/zinc/41/25/68/476412568.db2.gz YORKLPZSVNKOCZ-UHFFFAOYSA-N 0 1 337.395 2.673 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000362850377 476439548 /nfs/dbraw/zinc/43/95/48/476439548.db2.gz BAMMIEHMSLXKBA-BBRMVZONSA-N 0 1 334.420 2.637 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)N1CCc2ccccc2C1 ZINC000360881776 476451241 /nfs/dbraw/zinc/45/12/41/476451241.db2.gz UOEXQRAOYPAOOW-CYBMUJFWSA-N 0 1 343.431 2.978 20 5 EFBDMN COC[C@@H](C)Cc1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000351472003 476470737 /nfs/dbraw/zinc/47/07/37/476470737.db2.gz CSXMLODLQWOWIT-JTQLQIEISA-N 0 1 343.343 2.860 20 5 EFBDMN CC(=O)Nc1ccccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369675540 476473399 /nfs/dbraw/zinc/47/33/99/476473399.db2.gz GSQABGRNJBNXRT-UHFFFAOYSA-N 0 1 343.387 2.587 20 5 EFBDMN CCc1nc([C@H](C)NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000360951131 476497417 /nfs/dbraw/zinc/49/74/17/476497417.db2.gz KSIJFODIWPARKI-WCQYABFASA-N 0 1 345.403 2.721 20 5 EFBDMN COC(=O)c1ccc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 ZINC000354206606 476502739 /nfs/dbraw/zinc/50/27/39/476502739.db2.gz RGOHJSMKMQYSTJ-UHFFFAOYSA-N 0 1 332.312 2.708 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000369772667 476517250 /nfs/dbraw/zinc/51/72/50/476517250.db2.gz LZIXSAPMHDYOBA-ZWKOTPCHSA-N 0 1 339.395 2.731 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000369772665 476517456 /nfs/dbraw/zinc/51/74/56/476517456.db2.gz LZIXSAPMHDYOBA-QZTJIDSGSA-N 0 1 339.395 2.731 20 5 EFBDMN O=C(C=Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000374830295 476548345 /nfs/dbraw/zinc/54/83/45/476548345.db2.gz XTBCKNJFFNYDQZ-OAGJVSPASA-N 0 1 349.350 2.632 20 5 EFBDMN Cn1nccc1[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363074106 476550016 /nfs/dbraw/zinc/55/00/16/476550016.db2.gz JWSDXMYOPYIBIY-CQSZACIVSA-N 0 1 330.388 2.587 20 5 EFBDMN COc1ccc(CN2CCC[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000363095797 476558706 /nfs/dbraw/zinc/55/87/06/476558706.db2.gz RPJUSNUNZQTKKV-CQSZACIVSA-N 0 1 330.388 2.717 20 5 EFBDMN COc1cc(N2CCC(CCN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000377837736 476605022 /nfs/dbraw/zinc/60/50/22/476605022.db2.gz QLKNHMHPOYQGSS-UHFFFAOYSA-N 0 1 349.431 2.542 20 5 EFBDMN COc1c(C(=O)NC[C@H](c2ccsc2)N(C)C)cccc1[N+](=O)[O-] ZINC000354396534 476635887 /nfs/dbraw/zinc/63/58/87/476635887.db2.gz WPKYEGYJPSUKSS-CQSZACIVSA-N 0 1 349.412 2.698 20 5 EFBDMN O=C(NCCc1cccc(F)c1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352340618 476648675 /nfs/dbraw/zinc/64/86/75/476648675.db2.gz QODURNXKHQALDW-UHFFFAOYSA-N 0 1 346.293 2.722 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000370064071 476653062 /nfs/dbraw/zinc/65/30/62/476653062.db2.gz UEPGGNOSCWYMQU-ZDUSSCGKSA-N 0 1 346.362 2.867 20 5 EFBDMN CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](C)C(F)(F)F ZINC000357871525 476662255 /nfs/dbraw/zinc/66/22/55/476662255.db2.gz FNZXUDHYJPEAHU-SSDOTTSWSA-N 0 1 330.266 2.884 20 5 EFBDMN C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000365662580 476667244 /nfs/dbraw/zinc/66/72/44/476667244.db2.gz OIPRESSDHCQJJB-PSLIRLAXSA-N 0 1 338.323 2.723 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC(C2CCC2)C1 ZINC000451908813 476719117 /nfs/dbraw/zinc/71/91/17/476719117.db2.gz KIBRWJNMIQMHED-UHFFFAOYSA-N 0 1 326.356 2.857 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@](O)(C2CC2)C1 ZINC000365850080 476730871 /nfs/dbraw/zinc/73/08/71/476730871.db2.gz RHHQUIVNAICALZ-DIFFPNOSSA-N 0 1 344.371 2.553 20 5 EFBDMN CC1(C)CCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000389655096 476783615 /nfs/dbraw/zinc/78/36/15/476783615.db2.gz ABXDMKNSHAKZRD-LBPRGKRZSA-N 0 1 330.381 2.981 20 5 EFBDMN C[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000390535819 476795129 /nfs/dbraw/zinc/79/51/29/476795129.db2.gz KCBBRPBKJNBZLB-GFCCVEGCSA-N 0 1 344.371 2.620 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCc3cccc(C)c3C2)c1[N+](=O)[O-] ZINC000430338102 476812945 /nfs/dbraw/zinc/81/29/45/476812945.db2.gz AKRMXCBYGVARFN-UHFFFAOYSA-N 0 1 328.372 2.777 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000456980727 476815189 /nfs/dbraw/zinc/81/51/89/476815189.db2.gz LJIYSQXLMNVHCO-UZTWBRENSA-N 0 1 332.404 2.779 20 5 EFBDMN C[C@H]1[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCCN1C ZINC000446418206 476873406 /nfs/dbraw/zinc/87/34/06/476873406.db2.gz NLYZNPFGSDWCRO-GUYCJALGSA-N 0 1 349.434 2.894 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[C@H](C)C1 ZINC000415658918 476948985 /nfs/dbraw/zinc/94/89/85/476948985.db2.gz MFXHASDBBTWMOL-ZIAGYGMSSA-N 0 1 349.431 2.937 20 5 EFBDMN Cc1ccc(C2(CNC(=O)c3n[nH]cc3[N+](=O)[O-])CCC2)cc1C ZINC000447616879 477024907 /nfs/dbraw/zinc/02/49/07/477024907.db2.gz CUZSKBIXIHQAIK-UHFFFAOYSA-N 0 1 328.372 2.786 20 5 EFBDMN Cc1ccc(-c2cc(=NC(=O)CCc3cccc([N+](=O)[O-])c3)[nH][nH]2)o1 ZINC000447798842 477057045 /nfs/dbraw/zinc/05/70/45/477057045.db2.gz BNMGUDWLRGNIGM-UHFFFAOYSA-N 0 1 340.339 2.880 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3cn[nH]c3C)CC2)c1 ZINC000375912158 477078962 /nfs/dbraw/zinc/07/89/62/477078962.db2.gz NPBAWTWNAGEFMB-UHFFFAOYSA-N 0 1 344.371 2.655 20 5 EFBDMN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000371013418 477081808 /nfs/dbraw/zinc/08/18/08/477081808.db2.gz SHLDFBKNWRYPCO-IAGOWNOFSA-N 0 1 325.368 2.762 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375937561 477092069 /nfs/dbraw/zinc/09/20/69/477092069.db2.gz IJQBUZYFCFKSQI-UHFFFAOYSA-N 0 1 344.371 2.655 20 5 EFBDMN CCN(CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000452846600 477105402 /nfs/dbraw/zinc/10/54/02/477105402.db2.gz KCQBXVTWHHZRNV-HNNXBMFYSA-N 0 1 331.416 2.785 20 5 EFBDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000375980244 477114897 /nfs/dbraw/zinc/11/48/97/477114897.db2.gz NVGCUZGPKOBMBR-UHFFFAOYSA-N 0 1 332.335 2.785 20 5 EFBDMN CC(C)CN1CCO[C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432341914 477197945 /nfs/dbraw/zinc/19/79/45/477197945.db2.gz CVSXMJCWDLZBAN-CQSZACIVSA-N 0 1 344.415 2.912 20 5 EFBDMN C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c2nccn21 ZINC000453345520 477211400 /nfs/dbraw/zinc/21/14/00/477211400.db2.gz KENLYTREFCUJKI-MQYQWHSLSA-N 0 1 330.392 2.767 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453411341 477224288 /nfs/dbraw/zinc/22/42/88/477224288.db2.gz AKHHSCNOQPZOHE-AEGPPILISA-N 0 1 347.415 2.798 20 5 EFBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000457948025 477270506 /nfs/dbraw/zinc/27/05/06/477270506.db2.gz YUFDTCOKLQJGBK-MRVPVSSYSA-N 0 1 333.369 2.737 20 5 EFBDMN Cc1ncc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(=O)[nH]1 ZINC000433238798 477318382 /nfs/dbraw/zinc/31/83/82/477318382.db2.gz CFWYYJXZTIBXEN-HNNXBMFYSA-N 0 1 328.372 2.911 20 5 EFBDMN CCN1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000448942791 477351670 /nfs/dbraw/zinc/35/16/70/477351670.db2.gz TZMAYXNRPHELRY-UHFFFAOYSA-N 0 1 345.321 2.781 20 5 EFBDMN CN(Cc1nc(C2(N)CCCCC2)no1)c1ccccc1[N+](=O)[O-] ZINC000424343063 477376229 /nfs/dbraw/zinc/37/62/29/477376229.db2.gz JCANERRHOCYGMD-UHFFFAOYSA-N 0 1 331.376 2.732 20 5 EFBDMN Cc1cc(OCc2nc(C3(N)CCCCC3)no2)ccc1[N+](=O)[O-] ZINC000424343664 477376516 /nfs/dbraw/zinc/37/65/16/477376516.db2.gz KCLSWYYTEAMBJF-UHFFFAOYSA-N 0 1 332.360 2.983 20 5 EFBDMN CC[C@H](N[C@H]1CCCc2c1cnn2CCO)c1cccc([N+](=O)[O-])c1 ZINC000376517740 477378311 /nfs/dbraw/zinc/37/83/11/477378311.db2.gz BNZPLCIEQBHFSU-IRXDYDNUSA-N 0 1 344.415 2.902 20 5 EFBDMN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449197949 477480975 /nfs/dbraw/zinc/48/09/75/477480975.db2.gz YULPWUJQUWGESK-JSGCOSHPSA-N 0 1 329.404 2.804 20 5 EFBDMN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449197948 477481827 /nfs/dbraw/zinc/48/18/27/477481827.db2.gz YULPWUJQUWGESK-GXTWGEPZSA-N 0 1 329.404 2.804 20 5 EFBDMN C[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000455088742 477493917 /nfs/dbraw/zinc/49/39/17/477493917.db2.gz ANVCOKWMECCEIA-IINYFYTJSA-N 0 1 329.360 2.756 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000455092219 477495674 /nfs/dbraw/zinc/49/56/74/477495674.db2.gz JMFVRHBFSHYPOD-RDBSUJKOSA-N 0 1 334.420 2.780 20 5 EFBDMN COC(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000436513942 477500732 /nfs/dbraw/zinc/50/07/32/477500732.db2.gz NXIFOLBWXHCGMM-UHFFFAOYSA-N 0 1 330.296 2.648 20 5 EFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccccc1Br ZINC000371897823 477548077 /nfs/dbraw/zinc/54/80/77/477548077.db2.gz VGUXKNPSJRVHEI-KGYLQXTDSA-N 0 1 339.189 2.778 20 5 EFBDMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436675112 477554079 /nfs/dbraw/zinc/55/40/79/477554079.db2.gz YEEIRQVSMXQOFU-LBPRGKRZSA-N 0 1 335.404 2.541 20 5 EFBDMN Cc1nc([C@H]2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)n[nH]1 ZINC000413187456 477560685 /nfs/dbraw/zinc/56/06/85/477560685.db2.gz DWXPARIKWNGMFW-ZDUSSCGKSA-N 0 1 338.371 2.954 20 5 EFBDMN Cc1nnc([C@H]2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)[nH]1 ZINC000413187456 477560693 /nfs/dbraw/zinc/56/06/93/477560693.db2.gz DWXPARIKWNGMFW-ZDUSSCGKSA-N 0 1 338.371 2.954 20 5 EFBDMN O=[N+]([O-])c1cnc(NC2CCN(Cc3cccnc3)CC2)c(F)c1 ZINC000413260483 477596343 /nfs/dbraw/zinc/59/63/43/477596343.db2.gz HSFLLIVOEJABQA-UHFFFAOYSA-N 0 1 331.351 2.600 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000455367786 477606051 /nfs/dbraw/zinc/60/60/51/477606051.db2.gz YXAGFQNEZMDAMD-UHFFFAOYSA-N 0 1 348.363 2.557 20 5 EFBDMN Cc1nc([C@@H]2CCCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)n[nH]1 ZINC000450507704 477611398 /nfs/dbraw/zinc/61/13/98/477611398.db2.gz ULRQIYVPVKTMCJ-ZDUSSCGKSA-N 0 1 327.348 2.629 20 5 EFBDMN COC1(C)CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000450622042 477657953 /nfs/dbraw/zinc/65/79/53/477657953.db2.gz NJHQACYVDOFMGR-UHFFFAOYSA-N 0 1 344.371 2.626 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000372155896 477666318 /nfs/dbraw/zinc/66/63/18/477666318.db2.gz HUODNRREKIPRTJ-RRFJBIMHSA-N 0 1 347.415 2.589 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000372155897 477667326 /nfs/dbraw/zinc/66/73/26/477667326.db2.gz HUODNRREKIPRTJ-SOUVJXGZSA-N 0 1 347.415 2.589 20 5 EFBDMN CCOc1cccc(N2CCN(C(C)(C)COC)CC2)c1[N+](=O)[O-] ZINC000425282031 477677335 /nfs/dbraw/zinc/67/73/35/477677335.db2.gz QTUNIEZKUVHOAK-UHFFFAOYSA-N 0 1 337.420 2.541 20 5 EFBDMN C[C@@H]1[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCCN1C ZINC000450802181 477722519 /nfs/dbraw/zinc/72/25/19/477722519.db2.gz YIMHPFLNACPYFK-SKDRFNHKSA-N 0 1 345.321 2.826 20 5 EFBDMN CCc1nc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000426652363 477733154 /nfs/dbraw/zinc/73/31/54/477733154.db2.gz SOVOMEAZHVDKHW-UHFFFAOYSA-N 0 1 329.356 2.849 20 5 EFBDMN CC(C)c1ccc(CN[C@@H](C[NH+]2CCCCC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426762059 477748498 /nfs/dbraw/zinc/74/84/98/477748498.db2.gz GYMFXOMGBLECDJ-INIZCTEOSA-N 0 1 349.431 2.747 20 5 EFBDMN CCN(CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1)CCC(F)(F)F ZINC000427241530 477768527 /nfs/dbraw/zinc/76/85/27/477768527.db2.gz DEUVUVJNNOQNNG-UHFFFAOYSA-N 0 1 347.337 2.907 20 5 EFBDMN CC(C)N1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000450951962 477774800 /nfs/dbraw/zinc/77/48/00/477774800.db2.gz GYNARQRCPSMONO-SNVBAGLBSA-N 0 1 343.225 2.671 20 5 EFBDMN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427917830 477787196 /nfs/dbraw/zinc/78/71/96/477787196.db2.gz QIRGLCYCJOOBMZ-UHFFFAOYSA-N 0 1 341.323 2.901 20 5 EFBDMN C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000427908795 477787274 /nfs/dbraw/zinc/78/72/74/477787274.db2.gz ZQUSTCIZLIHAAH-GFCCVEGCSA-N 0 1 329.356 2.555 20 5 EFBDMN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427908474 477787507 /nfs/dbraw/zinc/78/75/07/477787507.db2.gz ZKJKJBVFQPTHGM-UHFFFAOYSA-N 0 1 341.323 2.901 20 5 EFBDMN O=C(N=c1cc(CC2CCCCC2)[nH][nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427918209 477787580 /nfs/dbraw/zinc/78/75/80/477787580.db2.gz XSILORQPJNYIQB-UHFFFAOYSA-N 0 1 344.371 2.821 20 5 EFBDMN COc1ccccc1O[C@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428017033 477804581 /nfs/dbraw/zinc/80/45/81/477804581.db2.gz YTHINCKCCPYCHV-LLVKDONJSA-N 0 1 346.339 2.506 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@@H]2CCC[C@H]21 ZINC000451067787 477808761 /nfs/dbraw/zinc/80/87/61/477808761.db2.gz PSQXNMATMGOFEV-BLLLJJGKSA-N 0 1 326.356 3.000 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@@H]2CCC[C@@H]21 ZINC000451067788 477808961 /nfs/dbraw/zinc/80/89/61/477808961.db2.gz PSQXNMATMGOFEV-LRDDRELGSA-N 0 1 326.356 3.000 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000428037113 477809492 /nfs/dbraw/zinc/80/94/92/477809492.db2.gz ZBTXSTFJEUMQNU-MRXNPFEDSA-N 0 1 346.314 2.653 20 5 EFBDMN Cc1ccc(OCCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000428041004 477811873 /nfs/dbraw/zinc/81/18/73/477811873.db2.gz YXFXKUKGVXTQOO-UHFFFAOYSA-N 0 1 330.340 2.808 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](C)C[C@@H](CO)C1 ZINC000420939183 477840667 /nfs/dbraw/zinc/84/06/67/477840667.db2.gz LRBNGJWBKOGHNJ-JHJVBQTASA-N 0 1 346.387 2.656 20 5 EFBDMN C[C@@H]1C[C@@H](CO)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000420954936 477853044 /nfs/dbraw/zinc/85/30/44/477853044.db2.gz ZXOVRBUOJICXNG-CHWSQXEVSA-N 0 1 331.372 2.700 20 5 EFBDMN COC(=O)c1cccc2nc(NCc3ccc(C)c([N+](=O)[O-])c3)[nH]c21 ZINC000428339491 477871771 /nfs/dbraw/zinc/87/17/71/477871771.db2.gz XWVWRFGLJCRDEP-UHFFFAOYSA-N 0 1 340.339 2.600 20 5 EFBDMN CC[C@H]1CN(CC)CCN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000456362484 477887477 /nfs/dbraw/zinc/88/74/77/477887477.db2.gz WONYJXVQEQSMNS-HNNXBMFYSA-N 0 1 349.431 2.615 20 5 EFBDMN COc1cc(CN2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])cc1F ZINC000421019664 477909302 /nfs/dbraw/zinc/90/93/02/477909302.db2.gz PZCIACMRUQZCEO-GFCCVEGCSA-N 0 1 326.368 2.727 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC(C)C)CC1 ZINC000462769219 477919689 /nfs/dbraw/zinc/91/96/89/477919689.db2.gz XVIWXPLDFDOILP-KRWDZBQOSA-N 0 1 347.459 2.964 20 5 EFBDMN Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516473884 477937517 /nfs/dbraw/zinc/93/75/17/477937517.db2.gz ZEALWUSLWIZAKN-WFASDCNBSA-N 0 1 333.388 2.522 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H](CO)CC(F)F)o2)c1 ZINC000428645516 477948328 /nfs/dbraw/zinc/94/83/28/477948328.db2.gz CRNKNFNUHAETKU-NSHDSACASA-N 0 1 326.299 2.961 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000456536816 477971367 /nfs/dbraw/zinc/97/13/67/477971367.db2.gz VLRZUCJZXOMKBR-CQSZACIVSA-N 0 1 333.432 2.815 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2c1OCC2 ZINC000421137057 477977399 /nfs/dbraw/zinc/97/73/99/477977399.db2.gz FHGCZSZIQZZCOA-UHFFFAOYSA-N 0 1 348.380 2.947 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000456549970 477978763 /nfs/dbraw/zinc/97/87/63/477978763.db2.gz KZFJYTYAZBNMJJ-CYBMUJFWSA-N 0 1 337.445 2.630 20 5 EFBDMN COC(=O)[C@]1(c2ccccc2)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000428774393 477980022 /nfs/dbraw/zinc/98/00/22/477980022.db2.gz VTJODFSOSJRGKR-QGZVFWFLSA-N 0 1 346.408 2.973 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@H](CC(C)C)OC ZINC000421166844 477991944 /nfs/dbraw/zinc/99/19/44/477991944.db2.gz RDDYSZXBQNDAOW-AWEZNQCLSA-N 0 1 344.433 2.960 20 5 EFBDMN O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000451428278 478013229 /nfs/dbraw/zinc/01/32/29/478013229.db2.gz YBLPBLRKHZVSSS-XZJROXQQSA-N 0 1 326.343 2.998 20 5 EFBDMN CCn1cc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000532980630 478015662 /nfs/dbraw/zinc/01/56/62/478015662.db2.gz QWLDXGSMHGXHIE-UHFFFAOYSA-N 0 1 345.403 2.580 20 5 EFBDMN CO[C@@H]1C[C@@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000456635957 478019144 /nfs/dbraw/zinc/01/91/44/478019144.db2.gz NBHSKRLHQYHOKL-ZIAGYGMSSA-N 0 1 344.371 2.501 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000451509926 478059894 /nfs/dbraw/zinc/05/98/94/478059894.db2.gz XIYSKXSDRADZER-CVEARBPZSA-N 0 1 344.415 2.802 20 5 EFBDMN COc1cc(CN2CCC[C@H](CCO)CC2)c([N+](=O)[O-])cc1OC ZINC000421403772 478076381 /nfs/dbraw/zinc/07/63/81/478076381.db2.gz XSEUIQGBNKTKNT-ZDUSSCGKSA-N 0 1 338.404 2.597 20 5 EFBDMN CC(C)N1CC[C@@H](N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451545522 478081459 /nfs/dbraw/zinc/08/14/59/478081459.db2.gz HPNZOTGLQFDKTR-NVXWUHKLSA-N 0 1 331.416 2.784 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000560530152 478106123 /nfs/dbraw/zinc/10/61/23/478106123.db2.gz OGUIURYNCGWRHQ-CYBMUJFWSA-N 0 1 343.387 2.685 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3Cc4cccc(O)c4C3)nc2c1 ZINC000429313902 478110800 /nfs/dbraw/zinc/11/08/00/478110800.db2.gz DPDMAJDEKFDQSJ-LLVKDONJSA-N 0 1 325.324 2.699 20 5 EFBDMN O=[N+]([O-])c1ccccc1N1CCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC000534326980 478144860 /nfs/dbraw/zinc/14/48/60/478144860.db2.gz BEMMJBQPQQALRF-UHFFFAOYSA-N 0 1 337.383 2.793 20 5 EFBDMN CC[C@]1(O)CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000495229118 478147744 /nfs/dbraw/zinc/14/77/44/478147744.db2.gz NHFYZUSFWZPTRC-ZBEGNZNMSA-N 0 1 332.360 2.553 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)nc2c1 ZINC000451699071 478165193 /nfs/dbraw/zinc/16/51/93/478165193.db2.gz TZZKMTRYUYPATC-YRGRVCCFSA-N 0 1 331.372 2.719 20 5 EFBDMN O=[N+]([O-])c1cccc(OCCN2CCc3ccccc3[C@@H]2CO)c1 ZINC000440939363 478177101 /nfs/dbraw/zinc/17/71/01/478177101.db2.gz VJSIZOHHARBELI-SFHVURJKSA-N 0 1 328.368 2.565 20 5 EFBDMN CC[C@H]1CN(CC)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451726926 478179624 /nfs/dbraw/zinc/17/96/24/478179624.db2.gz WVZYLZRVCYVNPR-AWEZNQCLSA-N 0 1 345.403 2.561 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451726426 478180102 /nfs/dbraw/zinc/18/01/02/478180102.db2.gz TZKLTDFIDFCEEO-CQSZACIVSA-N 0 1 345.403 2.561 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000489204155 478224173 /nfs/dbraw/zinc/22/41/73/478224173.db2.gz JWGXJAGYCMJHFX-RKDXNWHRSA-N 0 1 335.339 2.857 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000489204152 478224624 /nfs/dbraw/zinc/22/46/24/478224624.db2.gz JWGXJAGYCMJHFX-DTWKUNHWSA-N 0 1 335.339 2.857 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000489225491 478225236 /nfs/dbraw/zinc/22/52/36/478225236.db2.gz ZUHZNGOIFCVYAJ-ZJUUUORDSA-N 0 1 349.366 2.785 20 5 EFBDMN COC(=O)Nc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1F ZINC000495557754 478229751 /nfs/dbraw/zinc/22/97/51/478229751.db2.gz SFUKDLSINZOPBP-UHFFFAOYSA-N 0 1 349.274 2.870 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000562347029 478236342 /nfs/dbraw/zinc/23/63/42/478236342.db2.gz JRECODYYENSEOE-GHMZBOCLSA-N 0 1 346.391 2.787 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000562347032 478236416 /nfs/dbraw/zinc/23/64/16/478236416.db2.gz JRECODYYENSEOE-QWRGUYRKSA-N 0 1 346.391 2.787 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000562347033 478236515 /nfs/dbraw/zinc/23/65/15/478236515.db2.gz JRECODYYENSEOE-WDEREUQCSA-N 0 1 346.391 2.787 20 5 EFBDMN CNc1ccc(C(=O)Nc2ccccc2-c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000536558734 478257495 /nfs/dbraw/zinc/25/74/95/478257495.db2.gz OONYWHBTZMOYHO-UHFFFAOYSA-N 0 1 338.327 2.674 20 5 EFBDMN CC(C)c1ccc(CN2C[C@](C)(CO)[C@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000600202234 478279181 /nfs/dbraw/zinc/27/91/81/478279181.db2.gz BHZXFIHXAUADNR-HDICACEKSA-N 0 1 336.432 2.531 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1C[C@H](C3CC3)[C@@H]1C1CC1)OCCO2 ZINC000590660149 478280052 /nfs/dbraw/zinc/28/00/52/478280052.db2.gz FJIZSLIPFMSQFY-KDOFPFPSSA-N 0 1 330.384 2.986 20 5 EFBDMN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCCO1 ZINC000590670136 478282294 /nfs/dbraw/zinc/28/22/94/478282294.db2.gz PWCZHBDWILLGBZ-UHFFFAOYSA-N 0 1 344.371 2.626 20 5 EFBDMN C[C@@H]1CN(CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 ZINC000520254382 478291019 /nfs/dbraw/zinc/29/10/19/478291019.db2.gz UKQOMCMFCFNTMC-ZIAGYGMSSA-N 0 1 330.388 2.568 20 5 EFBDMN C[C@@H](Cc1cnc[nH]1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594326474 478331753 /nfs/dbraw/zinc/33/17/53/478331753.db2.gz YYKNUSPSDSFLBX-LBPRGKRZSA-N 0 1 328.372 2.688 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](OC3CCC3)C2)c1[N+](=O)[O-] ZINC000594386277 478354026 /nfs/dbraw/zinc/35/40/26/478354026.db2.gz BUEYRKKHOJSBSB-GFCCVEGCSA-N 0 1 336.392 2.615 20 5 EFBDMN CCC(C)(C)N1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000594390182 478358139 /nfs/dbraw/zinc/35/81/39/478358139.db2.gz UCJWGSYRBZYYKJ-UHFFFAOYSA-N 0 1 335.404 2.550 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000590888294 478386040 /nfs/dbraw/zinc/38/60/40/478386040.db2.gz SEPOTWKWKXABAW-UZTWBRENSA-N 0 1 332.404 2.950 20 5 EFBDMN COc1ccc(C[N@@H+](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000581553961 478386289 /nfs/dbraw/zinc/38/62/89/478386289.db2.gz MCVZOELZBZUYRS-INIZCTEOSA-N 0 1 344.367 2.731 20 5 EFBDMN O=[N+]([O-])c1ccc2[nH]c(CNC[C@H](O)CCc3ccccc3)nc2c1 ZINC000563003273 478411351 /nfs/dbraw/zinc/41/13/51/478411351.db2.gz QFZFSLDFAKXICE-OAHLLOKOSA-N 0 1 340.383 2.554 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1n[nH]c([C@H]3CCCO3)n1)CCC2 ZINC000594510127 478419543 /nfs/dbraw/zinc/41/95/43/478419543.db2.gz HNUOCWQLGCYNAP-LSDHHAIUSA-N 0 1 343.387 2.732 20 5 EFBDMN Cc1ccc(CN[C@@H]2CCc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000594511898 478420122 /nfs/dbraw/zinc/42/01/22/478420122.db2.gz SBXQIJGRSLANPM-MRXNPFEDSA-N 0 1 325.368 2.946 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000597604056 478428830 /nfs/dbraw/zinc/42/88/30/478428830.db2.gz JFYBDFANUSZAHU-BRWVUGGUSA-N 0 1 348.399 2.846 20 5 EFBDMN O=C(CN1CC[C@H](C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000591062069 478446969 /nfs/dbraw/zinc/44/69/69/478446969.db2.gz ULKGLJOJYKFEID-HNNXBMFYSA-N 0 1 329.400 2.606 20 5 EFBDMN Cc1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc(NC(=O)OC(C)(C)C)c1 ZINC000495978322 478452692 /nfs/dbraw/zinc/45/26/92/478452692.db2.gz BPQLEZKSCLBKTF-ZIAGYGMSSA-N 0 1 349.387 2.623 20 5 EFBDMN Cc1cc(C)c(S(=O)(=O)Nc2nccc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000600668099 478459559 /nfs/dbraw/zinc/45/95/59/478459559.db2.gz RINVWYKWFIQQRU-UHFFFAOYSA-N 0 1 348.384 2.680 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCSC2(CCC2)CC1 ZINC000591087971 478459944 /nfs/dbraw/zinc/45/99/44/478459944.db2.gz SEQJVKUHJSLSIX-UHFFFAOYSA-N 0 1 346.412 2.973 20 5 EFBDMN COc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000600676844 478465479 /nfs/dbraw/zinc/46/54/79/478465479.db2.gz YWXIOISIOWDTTP-IHRRRGAJSA-N 0 1 334.372 2.679 20 5 EFBDMN CC(=O)[C@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000597708794 478473522 /nfs/dbraw/zinc/47/35/22/478473522.db2.gz OMIWFJOYLGITDJ-MRXNPFEDSA-N 0 1 342.355 2.569 20 5 EFBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000597726443 478481400 /nfs/dbraw/zinc/48/14/00/478481400.db2.gz CHNSQOSBFPZXTJ-LLVKDONJSA-N 0 1 344.375 2.592 20 5 EFBDMN C[N@@H+](CCCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000570930355 478482345 /nfs/dbraw/zinc/48/23/45/478482345.db2.gz UBDUXLYMWHKTCN-UHFFFAOYSA-N 0 1 341.795 2.558 20 5 EFBDMN O=C([O-])[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000591269545 478503608 /nfs/dbraw/zinc/50/36/08/478503608.db2.gz ADONEFJZRQZJEF-CQSZACIVSA-N 0 1 348.380 2.609 20 5 EFBDMN O=C([O-])[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000591269545 478503612 /nfs/dbraw/zinc/50/36/12/478503612.db2.gz ADONEFJZRQZJEF-CQSZACIVSA-N 0 1 348.380 2.609 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(CCCc3cccc(F)c3)CC2)cn1 ZINC000540901933 478505549 /nfs/dbraw/zinc/50/55/49/478505549.db2.gz CJJCCDCXHWLGLP-UHFFFAOYSA-N 0 1 344.390 2.884 20 5 EFBDMN CO[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000594720668 478512387 /nfs/dbraw/zinc/51/23/87/478512387.db2.gz NRSIKDKATAJZNN-HNNXBMFYSA-N 0 1 342.417 2.850 20 5 EFBDMN CO[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C1CCCC1 ZINC000594719789 478512617 /nfs/dbraw/zinc/51/26/17/478512617.db2.gz GVZCJTVTJBFYSN-OAHLLOKOSA-N 0 1 342.417 2.850 20 5 EFBDMN C[C@H](NCC1(S(C)(=O)=O)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000594723468 478514565 /nfs/dbraw/zinc/51/45/65/478514565.db2.gz BMJPVEOIPUVOTA-ZDUSSCGKSA-N 0 1 340.445 2.993 20 5 EFBDMN Cc1cc(N2CCN(C(=O)C3CC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000541173206 478539541 /nfs/dbraw/zinc/53/95/41/478539541.db2.gz JHLAUFPXODBECM-UHFFFAOYSA-N 0 1 340.383 2.510 20 5 EFBDMN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(CO)CC1 ZINC000594969489 478611200 /nfs/dbraw/zinc/61/12/00/478611200.db2.gz PXFANBQVJQHBLN-LLVKDONJSA-N 0 1 333.413 2.969 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C[C@@H]1CC ZINC000582506366 478614700 /nfs/dbraw/zinc/61/47/00/478614700.db2.gz BOQKZGGCVWQSNB-HOTGVXAUSA-N 0 1 333.432 2.716 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C[C@H]1CC ZINC000582506368 478615582 /nfs/dbraw/zinc/61/55/82/478615582.db2.gz BOQKZGGCVWQSNB-JKSUJKDBSA-N 0 1 333.432 2.716 20 5 EFBDMN COc1cccc(CNCc2cc(OC)c(O)cc2[N+](=O)[O-])c1C ZINC000594999192 478624423 /nfs/dbraw/zinc/62/44/23/478624423.db2.gz PQIBSZOTKNYWHL-UHFFFAOYSA-N 0 1 332.356 2.916 20 5 EFBDMN CCC[C@H](C)C(=O)NCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039597 478637929 /nfs/dbraw/zinc/63/79/29/478637929.db2.gz TZDRUVWXRFTMHH-STQMWFEESA-N 0 1 337.420 2.806 20 5 EFBDMN O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCNCC1 ZINC000591902295 478685945 /nfs/dbraw/zinc/68/59/45/478685945.db2.gz IJJGYIUHUQQDMD-UHFFFAOYSA-N 0 1 335.429 2.675 20 5 EFBDMN O=[N+]([O-])c1cccc(CNCc2ccnc(N3CCSCC3)c2)c1 ZINC000601152368 478691245 /nfs/dbraw/zinc/69/12/45/478691245.db2.gz NZRPDIJPDLPULW-UHFFFAOYSA-N 0 1 344.440 2.833 20 5 EFBDMN COc1ccc(C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000595279472 478711378 /nfs/dbraw/zinc/71/13/78/478711378.db2.gz PXIVCBDGPGUBNL-GUYCJALGSA-N 0 1 334.372 2.680 20 5 EFBDMN Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583027495 478747660 /nfs/dbraw/zinc/74/76/60/478747660.db2.gz QMNCGMNEROKFBA-MQIPJXDCSA-N 0 1 347.415 2.768 20 5 EFBDMN CCOC(=O)c1c(C)[nH]nc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415000 478766863 /nfs/dbraw/zinc/76/68/63/478766863.db2.gz PMVPJGSJUSGBGS-JTQLQIEISA-N 0 1 332.360 2.654 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](n1cncn1)C(F)(F)F ZINC000601295535 478771497 /nfs/dbraw/zinc/77/14/97/478771497.db2.gz WZEYSVHHJHAVDC-GXFFZTMASA-N 0 1 343.309 2.949 20 5 EFBDMN C[C@H](NC[C@@H](n1cncn1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601295648 478771892 /nfs/dbraw/zinc/77/18/92/478771892.db2.gz ZEKHCRXWXWHIPC-JOYOIKCWSA-N 0 1 329.282 2.641 20 5 EFBDMN CC[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000595437374 478782351 /nfs/dbraw/zinc/78/23/51/478782351.db2.gz GDOIPIZXFNVJEA-INIZCTEOSA-N 0 1 344.415 2.988 20 5 EFBDMN O=[N+]([O-])c1ccn(C2CCN(CCc3c(F)cccc3F)CC2)n1 ZINC000592116381 478783274 /nfs/dbraw/zinc/78/32/74/478783274.db2.gz LJAJPJLKNIXIIJ-UHFFFAOYSA-N 0 1 336.342 2.949 20 5 EFBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595484597 478814971 /nfs/dbraw/zinc/81/49/71/478814971.db2.gz MJLBLRISGISUOF-BFYDXBDKSA-N 0 1 331.416 2.516 20 5 EFBDMN Cc1[nH+]ccn1CCCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000572367066 478819282 /nfs/dbraw/zinc/81/92/82/478819282.db2.gz JIHOEVZENUAGGU-UHFFFAOYSA-N 0 1 332.360 2.619 20 5 EFBDMN Cc1noc(CN(C[C@H](C)c2ccccc2)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595498467 478820617 /nfs/dbraw/zinc/82/06/17/478820617.db2.gz TWUAERRMRAXSOB-STQMWFEESA-N 0 1 333.388 2.878 20 5 EFBDMN NC(=O)C1(NCc2ccc(F)cc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000595532651 478836550 /nfs/dbraw/zinc/83/65/50/478836550.db2.gz DYRKRPKFFDAGQT-UHFFFAOYSA-N 0 1 347.390 2.504 20 5 EFBDMN O=C1CCCN1[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595541029 478841942 /nfs/dbraw/zinc/84/19/42/478841942.db2.gz BTWYSCGTTPRFOH-OAHLLOKOSA-N 0 1 335.379 2.711 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2[nH]nnc2c1 ZINC000492145262 478847135 /nfs/dbraw/zinc/84/71/35/478847135.db2.gz MVPHDTKVQNBVJZ-KXFIGUGUSA-N 0 1 327.275 2.657 20 5 EFBDMN O=[N+]([O-])c1cc(-c2nc([C@@H]3CCCN3)no2)ccc1N1CCCC1 ZINC000592357914 478866631 /nfs/dbraw/zinc/86/66/31/478866631.db2.gz UUTLEQNAQRCYGY-LBPRGKRZSA-N 0 1 329.360 2.670 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000492274599 478904516 /nfs/dbraw/zinc/90/45/16/478904516.db2.gz RVNCNLGTUQUOPI-STUBTGCMSA-N 0 1 347.350 2.866 20 5 EFBDMN Cc1oc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000565103959 478914353 /nfs/dbraw/zinc/91/43/53/478914353.db2.gz CUQAWPIZJACWCP-UHFFFAOYSA-N 0 1 334.328 2.705 20 5 EFBDMN O=C1C[C@H]([C@@H]2CCCCN2Cc2c(Cl)cccc2[N+](=O)[O-])CN1 ZINC000492294609 478916028 /nfs/dbraw/zinc/91/60/28/478916028.db2.gz NYQTUWYEBSPGAY-FZMZJTMJSA-N 0 1 337.807 2.739 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)C=Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000492312805 478923872 /nfs/dbraw/zinc/92/38/72/478923872.db2.gz MWKNYOUTCAPEJF-IQQGHNRFSA-N 0 1 329.360 2.727 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000583758545 478934945 /nfs/dbraw/zinc/93/49/45/478934945.db2.gz NSUJCFJHKTZNQJ-INIZCTEOSA-N 0 1 344.367 2.731 20 5 EFBDMN O=C([O-])c1ccccc1CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000565256301 478965817 /nfs/dbraw/zinc/96/58/17/478965817.db2.gz YAALOYGZGFMMJY-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN O=C([O-])c1ccccc1CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000565256301 478965824 /nfs/dbraw/zinc/96/58/24/478965824.db2.gz YAALOYGZGFMMJY-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000598682189 478968958 /nfs/dbraw/zinc/96/89/58/478968958.db2.gz WMUGLRJPKMXSRP-VXGBXAGGSA-N 0 1 345.359 2.522 20 5 EFBDMN COc1ccc([C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)cc1F ZINC000595754152 478977848 /nfs/dbraw/zinc/97/78/48/478977848.db2.gz VNNXYTWPZNGCBF-CQSZACIVSA-N 0 1 334.351 2.776 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC3(CCSCC3)CC2)c1[N+](=O)[O-] ZINC000601737781 478978044 /nfs/dbraw/zinc/97/80/44/478978044.db2.gz DORFCKXEMFSDPD-UHFFFAOYSA-N 0 1 338.433 2.630 20 5 EFBDMN Cc1ccc(S(=O)(=O)Nc2ccc3c(n2)CCC3)c(C)c1[N+](=O)[O-] ZINC000598735619 478996398 /nfs/dbraw/zinc/99/63/98/478996398.db2.gz XVSOTHULCWOFLY-UHFFFAOYSA-N 0 1 347.396 2.896 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CC(Cc3ccsc3)C2)c1[N+](=O)[O-] ZINC000598778638 479021703 /nfs/dbraw/zinc/02/17/03/479021703.db2.gz MRAFQPUNAUFPEN-UHFFFAOYSA-N 0 1 334.401 2.647 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CC(C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000598782932 479024258 /nfs/dbraw/zinc/02/42/58/479024258.db2.gz YVJJGLUNSZFLGJ-UHFFFAOYSA-N 0 1 328.372 2.855 20 5 EFBDMN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]1(C)CO ZINC000595875109 479044945 /nfs/dbraw/zinc/04/49/45/479044945.db2.gz PLZXCXRRFUIHFI-PXAZEXFGSA-N 0 1 331.372 2.700 20 5 EFBDMN C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000573365314 479050277 /nfs/dbraw/zinc/05/02/77/479050277.db2.gz UMNJHUBBWGYNFG-ZDUSSCGKSA-N 0 1 333.388 2.567 20 5 EFBDMN CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCN(C)C1 ZINC000592830926 479064435 /nfs/dbraw/zinc/06/44/35/479064435.db2.gz IGBPJMWFQUTEHS-CQSZACIVSA-N 0 1 331.372 2.897 20 5 EFBDMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000514867210 479080700 /nfs/dbraw/zinc/08/07/00/479080700.db2.gz RFTFKILTVPNLBH-GFCCVEGCSA-N 0 1 331.328 2.546 20 5 EFBDMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000601962538 479097963 /nfs/dbraw/zinc/09/79/63/479097963.db2.gz FCFPDZYDSYFFCN-QGZVFWFLSA-N 0 1 344.367 2.904 20 5 EFBDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000584356525 479108438 /nfs/dbraw/zinc/10/84/38/479108438.db2.gz QFSZNEJOBIVGCH-SMDDNHRTSA-N 0 1 345.355 2.587 20 5 EFBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000584356524 479108922 /nfs/dbraw/zinc/10/89/22/479108922.db2.gz QFSZNEJOBIVGCH-RISCZKNCSA-N 0 1 345.355 2.587 20 5 EFBDMN CC[C@@H]1CCCC[N@H+]1CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592972485 479112032 /nfs/dbraw/zinc/11/20/32/479112032.db2.gz KFSJSRZQNKCUJA-CQSZACIVSA-N 0 1 335.404 2.898 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CNCCC(=O)N(C)c1ccccc1 ZINC000596060816 479114079 /nfs/dbraw/zinc/11/40/79/479114079.db2.gz JYHUNVHYDKYMKI-UHFFFAOYSA-N 0 1 343.383 2.746 20 5 EFBDMN COc1ccc([C@H]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599019283 479127927 /nfs/dbraw/zinc/12/79/27/479127927.db2.gz DPNMADFKILACGB-QGZVFWFLSA-N 0 1 329.356 2.945 20 5 EFBDMN O=[N+]([O-])c1ccc(CNCCn2ccc(C(F)(F)F)n2)c(F)c1 ZINC000602016853 479139997 /nfs/dbraw/zinc/13/99/97/479139997.db2.gz IFIQZDSFGCNDNT-UHFFFAOYSA-N 0 1 332.257 2.739 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593059360 479150613 /nfs/dbraw/zinc/15/06/13/479150613.db2.gz PLSVZEPRJLDCHU-KBPBESRZSA-N 0 1 335.404 2.813 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)CO1 ZINC000593063698 479152723 /nfs/dbraw/zinc/15/27/23/479152723.db2.gz VBRJDXRWHBBMPC-ZFWWWQNUSA-N 0 1 335.404 2.731 20 5 EFBDMN CN1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000593081847 479162955 /nfs/dbraw/zinc/16/29/55/479162955.db2.gz NTKPUQNXIOZGIU-UHFFFAOYSA-N 0 1 349.406 2.753 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000602997156 479186325 /nfs/dbraw/zinc/18/63/25/479186325.db2.gz DMFRTZPUZAENIS-IKGGRYGDSA-N 0 1 348.399 2.587 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000584664291 479200371 /nfs/dbraw/zinc/20/03/71/479200371.db2.gz BLVQBFNHOBWQBW-PHIMTYICSA-N 0 1 325.796 2.803 20 5 EFBDMN CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000574046892 479206086 /nfs/dbraw/zinc/20/60/86/479206086.db2.gz OQWGJUUWZXPOPV-WOSRLPQWSA-N 0 1 334.372 2.679 20 5 EFBDMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574053595 479206801 /nfs/dbraw/zinc/20/68/01/479206801.db2.gz QADRAWBLMMSQET-UKRRQHHQSA-N 0 1 342.399 2.903 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cn[nH]c1C ZINC000602174149 479217726 /nfs/dbraw/zinc/21/77/26/479217726.db2.gz UJCWFVUWBGKTLN-CQSZACIVSA-N 0 1 330.388 2.854 20 5 EFBDMN CCO[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCCC2 ZINC000610891484 479225459 /nfs/dbraw/zinc/22/54/59/479225459.db2.gz QQMARFGTWHXWPO-HUUCEWRRSA-N 0 1 334.372 2.768 20 5 EFBDMN CCOc1ccc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593186885 479228720 /nfs/dbraw/zinc/22/87/20/479228720.db2.gz AJSCCIVIEHPIBQ-AGIUHOORSA-N 0 1 335.404 2.547 20 5 EFBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@@H]2C)c1 ZINC000593186934 479229053 /nfs/dbraw/zinc/22/90/53/479229053.db2.gz BKIJGONLOBTGRH-WOPDTQHZSA-N 0 1 337.445 2.870 20 5 EFBDMN CSc1cccc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000593189295 479229857 /nfs/dbraw/zinc/22/98/57/479229857.db2.gz KKEPZFLNYYVFLK-WOPDTQHZSA-N 0 1 337.445 2.870 20 5 EFBDMN CSc1ccc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593188120 479229882 /nfs/dbraw/zinc/22/98/82/479229882.db2.gz VTRSTJSOBGFGBC-GRYCIOLGSA-N 0 1 337.445 2.870 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCOC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610923632 479234517 /nfs/dbraw/zinc/23/45/17/479234517.db2.gz BNANGPUOVJEGIR-ZDUSSCGKSA-N 0 1 344.371 2.655 20 5 EFBDMN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000593342593 479303834 /nfs/dbraw/zinc/30/38/34/479303834.db2.gz UGBDBUXSOIONHA-QGZVFWFLSA-N 0 1 329.356 2.582 20 5 EFBDMN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CCN(Cc2ccccc2)C1 ZINC000593342593 479303842 /nfs/dbraw/zinc/30/38/42/479303842.db2.gz UGBDBUXSOIONHA-QGZVFWFLSA-N 0 1 329.356 2.582 20 5 EFBDMN O=C(NCc1nnc[nH]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611201437 479309338 /nfs/dbraw/zinc/30/93/38/479309338.db2.gz RLTXUIDWCDOAQH-UHFFFAOYSA-N 0 1 347.400 2.678 20 5 EFBDMN CNC(C)(C)c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603231482 479313457 /nfs/dbraw/zinc/31/34/57/479313457.db2.gz QELMSXUWDLHZPA-UHFFFAOYSA-N 0 1 343.309 2.708 20 5 EFBDMN O=[N+]([O-])c1cccc(CN(Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC000585718790 479316071 /nfs/dbraw/zinc/31/60/71/479316071.db2.gz YEVRJYFVIRVFOH-LJQANCHMSA-N 0 1 342.395 2.748 20 5 EFBDMN CSCC[C@@H](C)N(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272753 479331854 /nfs/dbraw/zinc/33/18/54/479331854.db2.gz QTMFIGRAZYSOMO-LLVKDONJSA-N 0 1 326.418 2.939 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1CCCC3(CCOCC3)C1)OCCO2 ZINC000611272184 479332347 /nfs/dbraw/zinc/33/23/47/479332347.db2.gz CYWQPPBSEVRPMG-UHFFFAOYSA-N 0 1 348.399 2.759 20 5 EFBDMN C[C@@H]1COCCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611272478 479332367 /nfs/dbraw/zinc/33/23/67/479332367.db2.gz WUQUUSPGVPOMOC-CYBMUJFWSA-N 0 1 330.388 2.606 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](c3ccco3)C1)OCCO2 ZINC000611271370 479332554 /nfs/dbraw/zinc/33/25/54/479332554.db2.gz ZGVWZOUTKHERRP-GFCCVEGCSA-N 0 1 330.340 2.949 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCc4cn[nH]c4C3)cs2)c1 ZINC000611273712 479333362 /nfs/dbraw/zinc/33/33/62/479333362.db2.gz XLTPSKROZMJZQM-UHFFFAOYSA-N 0 1 341.396 3.000 20 5 EFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC1(C)COC1 ZINC000599571940 479337160 /nfs/dbraw/zinc/33/71/60/479337160.db2.gz XSEWESFIMWZACD-SNVBAGLBSA-N 0 1 341.795 2.544 20 5 EFBDMN CCOc1ccc([C@H](C)NCC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000611335745 479350608 /nfs/dbraw/zinc/35/06/08/479350608.db2.gz YRHIVTGAPGIMIK-LBPRGKRZSA-N 0 1 335.404 2.703 20 5 EFBDMN Cc1cc(N2CCN(C)C[C@H]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000593503429 479368675 /nfs/dbraw/zinc/36/86/75/479368675.db2.gz KBXGLPCYFSFKCR-MRXNPFEDSA-N 0 1 326.400 2.661 20 5 EFBDMN Cc1nc(N2CCN(C)C[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000593505994 479369525 /nfs/dbraw/zinc/36/95/25/479369525.db2.gz ZULBSUQLPAAOON-INIZCTEOSA-N 0 1 326.400 2.661 20 5 EFBDMN C[C@H](Cn1cccn1)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602508256 479373521 /nfs/dbraw/zinc/37/35/21/479373521.db2.gz LPYAEOCSICVYSI-SNVBAGLBSA-N 0 1 328.294 2.988 20 5 EFBDMN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611431692 479377836 /nfs/dbraw/zinc/37/78/36/479377836.db2.gz CLFYFDNMYITYKG-YVEFUNNKSA-N 0 1 347.371 2.948 20 5 EFBDMN CN1CCN(C)[C@@H](CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000587975168 479378166 /nfs/dbraw/zinc/37/81/66/479378166.db2.gz JKGXISZMIONYOT-JTQLQIEISA-N 0 1 333.219 2.559 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000603415899 479379452 /nfs/dbraw/zinc/37/94/52/479379452.db2.gz NVNYGXFCLNCOFS-HOTGVXAUSA-N 0 1 341.415 2.583 20 5 EFBDMN COC(=O)[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000599684201 479389567 /nfs/dbraw/zinc/38/95/67/479389567.db2.gz UTVIDSFSXODMNX-MRXNPFEDSA-N 0 1 342.351 2.573 20 5 EFBDMN CSC[C@H](CCO)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602555140 479395163 /nfs/dbraw/zinc/39/51/63/479395163.db2.gz COPJFYHRYYMLHY-NSHDSACASA-N 0 1 338.351 2.817 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000611515108 479401794 /nfs/dbraw/zinc/40/17/94/479401794.db2.gz XZDMVDDDFZZFAY-WBVHZDCISA-N 0 1 333.432 2.761 20 5 EFBDMN O=[N+]([O-])c1cccnc1N1CCN(Cc2cccc3c2CCC3)CC1 ZINC000593643304 479411249 /nfs/dbraw/zinc/41/12/49/479411249.db2.gz ULWDEZRWVILWPZ-UHFFFAOYSA-N 0 1 338.411 2.801 20 5 EFBDMN O=C([O-])Cc1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000575185025 479417055 /nfs/dbraw/zinc/41/70/55/479417055.db2.gz KNEGLXGECDNZIO-CQSZACIVSA-N 0 1 333.388 2.651 20 5 EFBDMN CCO[C@@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1OC ZINC000602614784 479424749 /nfs/dbraw/zinc/42/47/49/479424749.db2.gz DCUQGTULEFNMJH-IACUBPJLSA-N 0 1 348.321 2.896 20 5 EFBDMN C/C=C\C[C@H](CO)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602617211 479425558 /nfs/dbraw/zinc/42/55/58/479425558.db2.gz BKVNMXGAIRAQNF-YAJNLLPGSA-N 0 1 335.223 2.836 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000593732164 479437916 /nfs/dbraw/zinc/43/79/16/479437916.db2.gz JDSOYXCJCBNZLE-CQSZACIVSA-N 0 1 327.340 2.678 20 5 EFBDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593738032 479440161 /nfs/dbraw/zinc/44/01/61/479440161.db2.gz KVRIVGPUMAXUDN-CABCVRRESA-N 0 1 336.388 2.928 20 5 EFBDMN CC[N@@H+](CCc1nccs1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593742570 479443375 /nfs/dbraw/zinc/44/33/75/479443375.db2.gz WJPQTMYHZYBXFG-UHFFFAOYSA-N 0 1 335.385 2.814 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000593742418 479443872 /nfs/dbraw/zinc/44/38/72/479443872.db2.gz LOPAJGDTFJSCFF-HIFRSBDPSA-N 0 1 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O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCc1n[nH]c(C2CC2)n1 ZINC000602675525 479469289 /nfs/dbraw/zinc/46/92/89/479469289.db2.gz UEHJZFWZQPFOAJ-UHFFFAOYSA-N 0 1 341.293 2.899 20 5 EFBDMN COC(=O)c1cc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000602686523 479475703 /nfs/dbraw/zinc/47/57/03/479475703.db2.gz WSFJJXHYECYAIX-CYBMUJFWSA-N 0 1 345.355 2.749 20 5 EFBDMN O=[N+]([O-])c1cncc(Cl)c1NC1CCN(Cc2ccccn2)CC1 ZINC000589108246 479479321 /nfs/dbraw/zinc/47/93/21/479479321.db2.gz SQYBKHIGIQOGHI-UHFFFAOYSA-N 0 1 347.806 2.537 20 5 EFBDMN C[C@H](O)CN1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000589113522 479479844 /nfs/dbraw/zinc/47/98/44/479479844.db2.gz DEPPVEXJIIFCQG-MNOVXSKESA-N 0 1 347.337 2.505 20 5 EFBDMN O=[N+]([O-])c1sc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1Br ZINC000602700742 479487646 /nfs/dbraw/zinc/48/76/46/479487646.db2.gz VVWOXJISQQJHFP-DRTBCBBWSA-N 0 1 333.207 2.828 20 5 EFBDMN C[S@](=O)[C@@H]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602704596 479489744 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/nfs/dbraw/zinc/23/18/78/529231878.db2.gz MGADBLBZMCCVER-PWSUYJOCSA-N 0 1 348.421 2.686 20 5 EFBDMN CCCNC(=O)C1(NCc2ccc([N+](=O)[O-])cc2OC)CCCCC1 ZINC000430212120 535008132 /nfs/dbraw/zinc/00/81/32/535008132.db2.gz ZKXRTFINXHDANP-UHFFFAOYSA-N 0 1 349.431 2.922 20 5 EFBDMN CC(C)C[C@@H]1CCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342719988 535284857 /nfs/dbraw/zinc/28/48/57/535284857.db2.gz YLWGQYJCNMWULD-HNNXBMFYSA-N 0 1 340.445 2.879 20 5 EFBDMN CCOc1cccc(NCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000346281497 535470059 /nfs/dbraw/zinc/47/00/59/535470059.db2.gz VFZZPTQBYHLXLD-ZIAGYGMSSA-N 0 1 337.420 2.905 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000346403648 535775945 /nfs/dbraw/zinc/77/59/45/535775945.db2.gz BJAIJHMNAGHAEW-NWDGAFQWSA-N 0 1 336.392 2.550 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000345937055 535777145 /nfs/dbraw/zinc/77/71/45/535777145.db2.gz BMTUFHGPRLSIJP-CHWSQXEVSA-N 0 1 346.431 2.724 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000345937061 535777394 /nfs/dbraw/zinc/77/73/94/535777394.db2.gz BMTUFHGPRLSIJP-QWHCGFSZSA-N 0 1 346.431 2.724 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2C[C@H](OC)C2(CC)CC)c1[N+](=O)[O-] ZINC000192778707 535998089 /nfs/dbraw/zinc/99/80/89/535998089.db2.gz YUKIDHORZRLRKP-RYUDHWBXSA-N 0 1 338.408 2.546 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000421934012 535999030 /nfs/dbraw/zinc/99/90/30/535999030.db2.gz BITJKZGMIJRXQA-MRVPVSSYSA-N 0 1 334.298 2.685 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000348863888 535999775 /nfs/dbraw/zinc/99/97/75/535999775.db2.gz CRTUYIAUJJGCPA-ZDUSSCGKSA-N 0 1 328.372 2.900 20 5 EFBDMN COc1ccc(F)cc1[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356351227 536639265 /nfs/dbraw/zinc/63/92/65/536639265.db2.gz VRWLXXUDAPTARC-VIFPVBQESA-N 0 1 334.303 2.939 20 5 EFBDMN COC[C@@H]1CCCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342575258 536742548 /nfs/dbraw/zinc/74/25/48/536742548.db2.gz XHICVFSDPISKIC-ZIAGYGMSSA-N 0 1 335.404 2.670 20 5 EFBDMN COCC[C@@H](C)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000414209116 536768013 /nfs/dbraw/zinc/76/80/13/536768013.db2.gz SHYOJRBARZHQKQ-CJNGLKHVSA-N 0 1 332.404 2.680 20 5 EFBDMN COCC[C@@H](C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000414195814 536768377 /nfs/dbraw/zinc/76/83/77/536768377.db2.gz JKUVCOLTUUWCQA-CZUORRHYSA-N 0 1 332.404 2.680 20 5 EFBDMN COCC[C@@H](C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000414209118 536768556 /nfs/dbraw/zinc/76/85/56/536768556.db2.gz SHYOJRBARZHQKQ-CZUORRHYSA-N 0 1 332.404 2.680 20 5 EFBDMN COc1c(C(=O)NCc2nc3ccc(F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000356233872 536847571 /nfs/dbraw/zinc/84/75/71/536847571.db2.gz YIZLCADROAWPND-UHFFFAOYSA-N 0 1 344.302 2.549 20 5 EFBDMN COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000347568378 536882579 /nfs/dbraw/zinc/88/25/79/536882579.db2.gz VDWROYFCXNXDEE-VXGBXAGGSA-N 0 1 344.371 2.676 20 5 EFBDMN COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000414673999 536895968 /nfs/dbraw/zinc/89/59/68/536895968.db2.gz DNPQTOQYXYYQFZ-AWEZNQCLSA-N 0 1 346.339 2.912 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000363881423 536956117 /nfs/dbraw/zinc/95/61/17/536956117.db2.gz JACMEOIQHIGIFX-MRXNPFEDSA-N 0 1 339.355 2.601 20 5 EFBDMN CCc1ccc([C@H](COC)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000754346829 575423401 /nfs/dbraw/zinc/42/34/01/575423401.db2.gz GTIUEZOQKHLRNQ-JKSUJKDBSA-N 0 1 334.372 2.761 20 5 EFBDMN C[C@@H](N[C@H](CCO)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000754382045 575427940 /nfs/dbraw/zinc/42/79/40/575427940.db2.gz FBRWXYKZYWWQKM-BXUZGUMPSA-N 0 1 349.412 2.697 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CCO)c1cccs1 ZINC000754389175 575430267 /nfs/dbraw/zinc/43/02/67/575430267.db2.gz ZYZYMJWTFBMRGQ-CQSZACIVSA-N 0 1 349.412 2.617 20 5 EFBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1n[nH]c(CC)n1 ZINC000754867565 575505954 /nfs/dbraw/zinc/50/59/54/575505954.db2.gz MNHZCPIYYRRUFX-UHFFFAOYSA-N 0 1 336.373 2.744 20 5 EFBDMN C[C@@H]1[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000756335035 575719486 /nfs/dbraw/zinc/71/94/86/575719486.db2.gz WBMMIYNPTYUWOR-ZJUUUORDSA-N 0 1 326.784 2.805 20 5 EFBDMN CC(=O)OCCc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000758606866 575873945 /nfs/dbraw/zinc/87/39/45/575873945.db2.gz NWIIQOXSUYOTOQ-UHFFFAOYSA-N 0 1 344.323 2.658 20 5 EFBDMN Cc1ccc([C@@H](C)NCc2ccc(-n3cncn3)nc2)cc1[N+](=O)[O-] ZINC000764956183 576528368 /nfs/dbraw/zinc/52/83/68/576528368.db2.gz HPEVCTKFLWAZFQ-CYBMUJFWSA-N 0 1 338.371 2.730 20 5 EFBDMN Cc1cc(F)cc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000765227618 577020944 /nfs/dbraw/zinc/02/09/44/577020944.db2.gz CJTJYDJMPAJTNS-SECBINFHSA-N 0 1 335.339 2.775 20 5 EFBDMN Cc1c([C@@H](C)NCC(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000765383781 577037146 /nfs/dbraw/zinc/03/71/46/577037146.db2.gz UZXPWUVCODGZHJ-CQSZACIVSA-N 0 1 327.384 2.870 20 5 EFBDMN CCc1nc(COC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000765523228 577050908 /nfs/dbraw/zinc/05/09/08/577050908.db2.gz FCRPKXCRISQMFB-GFCCVEGCSA-N 0 1 332.360 2.587 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000766555035 577166220 /nfs/dbraw/zinc/16/62/20/577166220.db2.gz IBKUPEDMYFHTDI-GHMZBOCLSA-N 0 1 325.796 2.803 20 5 EFBDMN CC[C@](C)(CC(=O)OC)NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000766827824 577184040 /nfs/dbraw/zinc/18/40/40/577184040.db2.gz MXVWRQNINCCNPA-OAHLLOKOSA-N 0 1 328.340 2.564 20 5 EFBDMN Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000766954746 577189699 /nfs/dbraw/zinc/18/96/99/577189699.db2.gz PYCSXHNBAUKINX-GUYCJALGSA-N 0 1 348.378 2.556 20 5 EFBDMN CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc(C(N)=O)c1 ZINC000768925857 577317099 /nfs/dbraw/zinc/31/70/99/577317099.db2.gz ICWDNELIQGNPOC-WEVVVXLNSA-N 0 1 325.368 2.839 20 5 EFBDMN CCN1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C ZINC000769382651 577357188 /nfs/dbraw/zinc/35/71/88/577357188.db2.gz ZVNCUHVLACZSPL-LLVKDONJSA-N 0 1 342.237 2.883 20 5 EFBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000770822505 581138421 /nfs/dbraw/zinc/13/84/21/581138421.db2.gz AHXPEBJRZDLFEA-UHFFFAOYSA-N 0 1 327.275 2.771 20 5 EFBDMN Cc1cccc2c1CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C2 ZINC000771470447 581215127 /nfs/dbraw/zinc/21/51/27/581215127.db2.gz WKVVSQMEZQASPT-UHFFFAOYSA-N 0 1 328.372 2.948 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)Nc2ccc(CN(C)C)c(F)c2)c1[N+](=O)[O-] ZINC000771542662 581221605 /nfs/dbraw/zinc/22/16/05/581221605.db2.gz CRUIRBLHFYHBEW-UHFFFAOYSA-N 0 1 349.366 2.894 20 5 EFBDMN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000773241111 581408849 /nfs/dbraw/zinc/40/88/49/581408849.db2.gz OGIUYGNUBNQACE-QGZVFWFLSA-N 0 1 344.367 2.805 20 5 EFBDMN O=C(NOc1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000773463031 581433887 /nfs/dbraw/zinc/43/38/87/581433887.db2.gz YZURHOLCQLEDEK-UHFFFAOYSA-N 0 1 325.280 2.572 20 5 EFBDMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000821516020 597459733 /nfs/dbraw/zinc/45/97/33/597459733.db2.gz MVBSSKIHTBJKHD-GFCCVEGCSA-N 0 1 345.355 2.937 20 5 EFBDMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000739639543 600078766 /nfs/dbraw/zinc/07/87/66/600078766.db2.gz PJENDJCXAFJKDV-INIZCTEOSA-N 0 1 344.371 2.745 20 5 EFBDMN CC[N@H+]1CCCC[C@@H]1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000737115234 600239503 /nfs/dbraw/zinc/23/95/03/600239503.db2.gz JFASHZFZYRTZNQ-RCQQVGEISA-N 0 1 333.388 2.979 20 5 EFBDMN CC[N@H+]1CCCC[C@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737115233 600239544 /nfs/dbraw/zinc/23/95/44/600239544.db2.gz JFASHZFZYRTZNQ-LEJCZOIISA-N 0 1 333.388 2.979 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(=O)[O-])c1ccccc1F ZINC000832482079 600742078 /nfs/dbraw/zinc/74/20/78/600742078.db2.gz XKHIBAFEWMSFQS-OAHLLOKOSA-N 0 1 334.303 2.658 20 5 EFBDMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000827928748 601012528 /nfs/dbraw/zinc/01/25/28/601012528.db2.gz OTGBAFUYKKVVBE-QWRGUYRKSA-N 0 1 346.343 2.528 20 5 EFBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000828028918 601888107 /nfs/dbraw/zinc/88/81/07/601888107.db2.gz IFRGZRVVLWXJNS-CQSZACIVSA-N 0 1 337.357 2.626 20 5 EFBDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000828433005 601936940 /nfs/dbraw/zinc/93/69/40/601936940.db2.gz QCVXLXFAJHWJHS-YKWSDOKYSA-N 0 1 331.372 2.587 20 5 EFBDMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)O1 ZINC000833575912 604833523 /nfs/dbraw/zinc/83/35/23/604833523.db2.gz DPDJCTGHQOXUAJ-GFCCVEGCSA-N 0 1 340.763 2.828 20 5 EFBDMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)O1 ZINC000833575912 604833525 /nfs/dbraw/zinc/83/35/25/604833525.db2.gz DPDJCTGHQOXUAJ-GFCCVEGCSA-N 0 1 340.763 2.828 20 5 EFBDMN 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Cc1c(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000873029273 1289529189 /nfs/dbraw/zinc/52/91/89/1289529189.db2.gz AAERPQDNLHSUKL-QGZVFWFLSA-N 0 1 339.395 2.794 20 5 EFBDMN CO[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000877086763 1291131390 /nfs/dbraw/zinc/13/13/90/1291131390.db2.gz AITMBHICVJXHQT-OAHLLOKOSA-N 0 1 328.796 2.779 20 5 EFBDMN Cc1nn(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000795691917 1291205645 /nfs/dbraw/zinc/20/56/45/1291205645.db2.gz CYLYLIICVYGHMW-ZACQAIPSSA-N 0 1 342.399 2.562 20 5 EFBDMN COC(=O)CC[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877818021 1291389155 /nfs/dbraw/zinc/38/91/55/1291389155.db2.gz CJJPFQRQZKVXNO-GFCCVEGCSA-N 0 1 347.371 2.901 20 5 EFBDMN O=[N+]([O-])c1ccccc1N1CCN(CC[C@@H](O)c2ccccc2)CC1 ZINC000795861004 1291545885 /nfs/dbraw/zinc/54/58/85/1291545885.db2.gz JVUHPJDFVUUDMC-LJQANCHMSA-N 0 1 341.411 2.841 20 5 EFBDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000878193003 1291547922 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EFBDMN COc1ccc(C2(NCc3cccnc3[N+](=O)[O-])CCOCC2)cc1 ZINC000886064953 1294655508 /nfs/dbraw/zinc/65/55/08/1294655508.db2.gz MGYUOXKUEVIRAA-UHFFFAOYSA-N 0 1 343.383 2.794 20 5 EFBDMN COc1ccc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000136811277 1294688404 /nfs/dbraw/zinc/68/84/04/1294688404.db2.gz QZNLJEZNQXATEY-QGZVFWFLSA-N 0 1 346.383 2.777 20 5 EFBDMN Cc1ncsc1C(=O)NCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001234368733 1313114541 /nfs/dbraw/zinc/11/45/41/1313114541.db2.gz LPECFKCBYPTPAU-UHFFFAOYSA-N 0 1 348.428 2.612 20 5 EFBDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000886602130 1295048813 /nfs/dbraw/zinc/04/88/13/1295048813.db2.gz KJDHNGWTLDDSEG-KURKYZTESA-N 0 1 345.443 2.887 20 5 EFBDMN COc1cc2c(cc1O)CCN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000887106975 1295281455 /nfs/dbraw/zinc/28/14/55/1295281455.db2.gz WDVRYPACLVOJLM-UHFFFAOYSA-N 0 1 330.340 2.573 20 5 EFBDMN C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000775984573 1295571898 /nfs/dbraw/zinc/57/18/98/1295571898.db2.gz GXPULRSHJXABQH-WDEREUQCSA-N 0 1 342.237 2.882 20 5 EFBDMN C[C@H](C[NH+](C)C)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234745537 1313188303 /nfs/dbraw/zinc/18/83/03/1313188303.db2.gz UGIASELTWDEDOU-SNVBAGLBSA-N 0 1 329.352 2.686 20 5 EFBDMN C[C@@H](C[N+](C)(C)C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234741460 1313188331 /nfs/dbraw/zinc/18/83/31/1313188331.db2.gz IKORLEDGHOJZFO-NSHDSACASA-O 0 1 344.387 2.831 20 5 EFBDMN CC[N@@H+]1CC[C@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234877271 1313202495 /nfs/dbraw/zinc/20/24/95/1313202495.db2.gz MYPVRAZONXFNID-VIFPVBQESA-N 0 1 331.166 2.536 20 5 EFBDMN CC[N@H+]1CC[C@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234877271 1313202497 /nfs/dbraw/zinc/20/24/97/1313202497.db2.gz MYPVRAZONXFNID-VIFPVBQESA-N 0 1 331.166 2.536 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccccn1)C1CC1 ZINC000932375976 1297422069 /nfs/dbraw/zinc/42/20/69/1297422069.db2.gz CECKJGRPLKRAQZ-GOSISDBHSA-N 0 1 340.383 2.978 20 5 EFBDMN Cc1c(NC(=O)CCN2CCn3cccc3C2)cccc1[N+](=O)[O-] ZINC000932528307 1297429884 /nfs/dbraw/zinc/42/98/84/1297429884.db2.gz ZRPJLPHGCWEMSJ-UHFFFAOYSA-N 0 1 328.372 2.549 20 5 EFBDMN C[C@@H]1C[C@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1C(=O)[O-] ZINC000903948910 1313472566 /nfs/dbraw/zinc/47/25/66/1313472566.db2.gz IWVOVHNMLKQETG-DVZHBHJUSA-N 0 1 336.388 2.793 20 5 EFBDMN C[C@@H]1C[C@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903949368 1313472931 /nfs/dbraw/zinc/47/29/31/1313472931.db2.gz MCRPTQLXPMVWOT-OQMKEHIESA-N 0 1 336.388 2.793 20 5 EFBDMN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(F)cc1F ZINC000077688148 1298195433 /nfs/dbraw/zinc/19/54/33/1298195433.db2.gz NXKYOAHTXXPTPH-UHFFFAOYSA-N 0 1 332.259 2.813 20 5 EFBDMN Cc1nn(CN2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000779868476 1298981294 /nfs/dbraw/zinc/98/12/94/1298981294.db2.gz SSRZHMTUAJSJMF-GJZGRUSLSA-N 0 1 343.431 2.652 20 5 EFBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@]1(O)CCc2ccccc21 ZINC000852206554 1299595231 /nfs/dbraw/zinc/59/52/31/1299595231.db2.gz MIRJVLPZTPYTNK-SFHVURJKSA-N 0 1 330.359 3.000 20 5 EFBDMN CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000852731077 1299842323 /nfs/dbraw/zinc/84/23/23/1299842323.db2.gz ZPPHRTVEVDNGDA-MRVPVSSYSA-N 0 1 331.166 2.652 20 5 EFBDMN CCC(CC)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])N1CCOCC1 ZINC000853133502 1300020291 /nfs/dbraw/zinc/02/02/91/1300020291.db2.gz DJRDEFWNXJKQRM-QGZVFWFLSA-N 0 1 336.436 2.726 20 5 EFBDMN CC(C)c1n[nH]c(COC(=O)CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000795313537 1300724555 /nfs/dbraw/zinc/72/45/55/1300724555.db2.gz NVQGFGHHBKENPL-UHFFFAOYSA-N 0 1 336.373 2.672 20 5 EFBDMN CC(C)c1nc(COC(=O)CSc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000795313537 1300724561 /nfs/dbraw/zinc/72/45/61/1300724561.db2.gz NVQGFGHHBKENPL-UHFFFAOYSA-N 0 1 336.373 2.672 20 5 EFBDMN C[C@H](O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000795387830 1300929910 /nfs/dbraw/zinc/92/99/10/1300929910.db2.gz MJXVOOUNKWMYGK-VIFPVBQESA-N 0 1 340.332 2.588 20 5 EFBDMN CC(C)c1n[nH]c(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000795417362 1301224605 /nfs/dbraw/zinc/22/46/05/1301224605.db2.gz MXLDZCYRNJHBNW-UHFFFAOYSA-N 0 1 332.360 2.857 20 5 EFBDMN CC(C)c1nc(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000795417362 1301224610 /nfs/dbraw/zinc/22/46/10/1301224610.db2.gz MXLDZCYRNJHBNW-UHFFFAOYSA-N 0 1 332.360 2.857 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC(N3CCOCC3)CC2)c1 ZINC000859354649 1301440289 /nfs/dbraw/zinc/44/02/89/1301440289.db2.gz FLUMMDJIKBJLGT-UHFFFAOYSA-N 0 1 339.823 2.545 20 5 EFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000859858810 1301607077 /nfs/dbraw/zinc/60/70/77/1301607077.db2.gz FITKGHBFJWLOTE-USXIJHARSA-N 0 1 325.320 2.930 20 5 EFBDMN Nc1ccc(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000117093589 1301659364 /nfs/dbraw/zinc/65/93/64/1301659364.db2.gz BUCKJJYVETZQDY-OAHLLOKOSA-N 0 1 341.367 2.608 20 5 EFBDMN C[C@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000865503564 1303286742 /nfs/dbraw/zinc/28/67/42/1303286742.db2.gz UKOARXYZDCVVNS-SNVBAGLBSA-N 0 1 347.246 2.949 20 5 EFBDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1csc(N(C)C)n1 ZINC000866278097 1303589003 /nfs/dbraw/zinc/58/90/03/1303589003.db2.gz MGAOVPPHWIKLML-JTQLQIEISA-N 0 1 338.408 2.977 20 5 EFBDMN CCC(CC)(CNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)SC ZINC000867928167 1304023510 /nfs/dbraw/zinc/02/35/10/1304023510.db2.gz XOKLVKNCIOWFAZ-HNNXBMFYSA-N 0 1 339.461 2.807 20 5 EFBDMN C[C@](N)(C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000867941292 1304029856 /nfs/dbraw/zinc/02/98/56/1304029856.db2.gz FVUSBEAOPKYUAD-FHKFTOANSA-N 0 1 331.416 2.854 20 5 EFBDMN Cc1ccccc1C[C@H](C)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867942290 1304030400 /nfs/dbraw/zinc/03/04/00/1304030400.db2.gz OIBSJWSRYGFZGV-LIRRHRJNSA-N 0 1 341.411 2.825 20 5 EFBDMN Cc1cccc(C)c1CNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867944164 1304032311 /nfs/dbraw/zinc/03/23/11/1304032311.db2.gz QJJDYPXXVLLFKK-GOSISDBHSA-N 0 1 327.384 2.702 20 5 EFBDMN Cc1ccc(CNC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000867946216 1304034231 /nfs/dbraw/zinc/03/42/31/1304034231.db2.gz DQJUDJHXGAYLOO-SFHVURJKSA-N 0 1 327.384 2.702 20 5 EFBDMN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)CC2 ZINC000867947396 1304035783 /nfs/dbraw/zinc/03/57/83/1304035783.db2.gz FDEVMBKSBULBHK-HKUYNNGSSA-N 0 1 339.395 2.881 20 5 EFBDMN C[C@@H](CNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000867948660 1304036893 /nfs/dbraw/zinc/03/68/93/1304036893.db2.gz AUBSYUCRWVRPAV-SJKOYZFVSA-N 0 1 347.440 2.825 20 5 EFBDMN C[C@@H](Cc1ccsc1)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867948258 1304037163 /nfs/dbraw/zinc/03/71/63/1304037163.db2.gz QYOKPRJWHIGGPC-ZBEGNZNMSA-N 0 1 333.413 2.578 20 5 EFBDMN C[C@](N)(C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000867979566 1304056493 /nfs/dbraw/zinc/05/64/93/1304056493.db2.gz HCVZVWHRHKCEHB-JCKWVBRZSA-N 0 1 331.416 2.854 20 5 EFBDMN C[C@H]1c2ccccc2C[C@H]1NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867984345 1304058097 /nfs/dbraw/zinc/05/80/97/1304058097.db2.gz KFUCRNHDOROKAD-WILYLXEWSA-N 0 1 339.395 2.613 20 5 EFBDMN Cc1cc(C)cc(CNC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)c1 ZINC000867985277 1304059331 /nfs/dbraw/zinc/05/93/31/1304059331.db2.gz ZHHNBSWWUOGSKO-GOSISDBHSA-N 0 1 327.384 2.702 20 5 EFBDMN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000748640946 1314046746 /nfs/dbraw/zinc/04/67/46/1314046746.db2.gz POYFKEDOBXMDRJ-UHFFFAOYSA-N 0 1 348.380 2.980 20 5 EFBDMN CC1(NC(=O)c2ccoc2)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045363913 1307279228 /nfs/dbraw/zinc/27/92/28/1307279228.db2.gz SXWTYJCYFLOVJH-UHFFFAOYSA-N 0 1 343.383 2.972 20 5 EFBDMN C[C@H]1Cc2cn[nH]c2[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000900100166 1307659936 /nfs/dbraw/zinc/65/99/36/1307659936.db2.gz ZGEUFSYGOYZIPY-IINYFYTJSA-N 0 1 326.356 2.573 20 5 EFBDMN CC(C)N(Cc1cn(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1)C(C)C ZINC000900590127 1308365661 /nfs/dbraw/zinc/36/56/61/1308365661.db2.gz YOBDMKARZIUSIT-QGZVFWFLSA-N 0 1 347.419 2.539 20 5 EFBDMN C[NH+]1CCN(c2c(F)cccc2Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001210397666 1314326194 /nfs/dbraw/zinc/32/61/94/1314326194.db2.gz GCBRQZZSHYDRJH-UHFFFAOYSA-N 0 1 346.362 2.935 20 5 EFBDMN COc1cc(N2CCOCC2)ccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210400151 1314326654 /nfs/dbraw/zinc/32/66/54/1314326654.db2.gz CODHPAQBTXXBPU-UHFFFAOYSA-N 0 1 345.355 2.889 20 5 EFBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[C@@H](C)Cc3cn[nH]c31)CC2 ZINC000901317431 1310129166 /nfs/dbraw/zinc/12/91/66/1310129166.db2.gz JWRCIFMIZWHADJ-IINYFYTJSA-N 0 1 340.383 2.882 20 5 EFBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1c3cn[nH]c3CC[C@H]1C)CC2 ZINC000901317998 1310130331 /nfs/dbraw/zinc/13/03/31/1310130331.db2.gz OFIMWHSVSOFSKE-BMLIUANNSA-N 0 1 340.383 2.882 20 5 EFBDMN C[C@@H](C[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000901599819 1310731134 /nfs/dbraw/zinc/73/11/34/1310731134.db2.gz ZNUMYNQKWFJXGK-QMMMGPOBSA-N 0 1 331.166 2.510 20 5 EFBDMN C[C@@H](C[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000901599819 1310731129 /nfs/dbraw/zinc/73/11/29/1310731129.db2.gz ZNUMYNQKWFJXGK-QMMMGPOBSA-N 0 1 331.166 2.510 20 5 EFBDMN O=C([O-])CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000901682045 1310879672 /nfs/dbraw/zinc/87/96/72/1310879672.db2.gz PAFJLJFSTBIXIY-BYPUDFOVSA-N 0 1 334.372 2.564 20 5 EFBDMN C[C@@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000902150963 1311481189 /nfs/dbraw/zinc/48/11/89/1311481189.db2.gz UMYPGHFDBGPCAQ-CYBMUJFWSA-N 0 1 335.404 2.575 20 5 EFBDMN COC[C@H](C)OC[C@@H](C)OC[C@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225491561 1311531121 /nfs/dbraw/zinc/53/11/21/1311531121.db2.gz QJLRPDXFTXSHQI-XQQFMLRXSA-N 0 1 343.376 2.524 20 5 EFBDMN O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1CN2CCC1CC2 ZINC001225659300 1311561311 /nfs/dbraw/zinc/56/13/11/1311561311.db2.gz QBDPGDNCEUYWDG-CYBMUJFWSA-N 0 1 327.178 2.830 20 5 EFBDMN C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225660357 1311561348 /nfs/dbraw/zinc/56/13/48/1311561348.db2.gz CQDXDPCLUNVUNR-CJNGLKHVSA-N 0 1 343.383 2.985 20 5 EFBDMN C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225660357 1311561350 /nfs/dbraw/zinc/56/13/50/1311561350.db2.gz CQDXDPCLUNVUNR-CJNGLKHVSA-N 0 1 343.383 2.985 20 5 EFBDMN O=[N+]([O-])c1cc(Br)ccc1O[C@H]1CN2CCC1CC2 ZINC001225659302 1311561443 /nfs/dbraw/zinc/56/14/43/1311561443.db2.gz QBDPGDNCEUYWDG-ZDUSSCGKSA-N 0 1 327.178 2.830 20 5 EFBDMN O=[N+]([O-])c1ccccc1N1CCC(Oc2cccc3[nH]nnc32)CC1 ZINC001225993663 1311599021 /nfs/dbraw/zinc/59/90/21/1311599021.db2.gz YASKEDLDKBQPPI-UHFFFAOYSA-N 0 1 339.355 2.914 20 5 EFBDMN O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2n[nH]c3ncccc23)C1 ZINC001226306878 1311645497 /nfs/dbraw/zinc/64/54/97/1311645497.db2.gz ZGUMOXAFNCCDGF-NSHDSACASA-N 0 1 325.328 2.524 20 5 EFBDMN CO[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226313574 1311646589 /nfs/dbraw/zinc/64/65/89/1311646589.db2.gz SQZMOSQXQCAINB-LLVKDONJSA-N 0 1 334.294 2.713 20 5 EFBDMN O=c1nc2cc(-c3ccccc3)[nH]c2c(O[C@H](C[N+](=O)[O-])C2CC2)[nH]1 ZINC001226378158 1311657919 /nfs/dbraw/zinc/65/79/19/1311657919.db2.gz IPUDDOVSRIXMPT-CQSZACIVSA-N 0 1 340.339 2.765 20 5 EFBDMN NCc1nccnc1Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001160250836 1311673373 /nfs/dbraw/zinc/67/33/73/1311673373.db2.gz RKOKQGDFTRFUJY-UHFFFAOYSA-N 0 1 330.735 2.789 20 5 EFBDMN O=[N+]([O-])c1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC001226713069 1311711451 /nfs/dbraw/zinc/71/14/51/1311711451.db2.gz VAYWYAAYTIGAIP-KRWDZBQOSA-N 0 1 343.383 2.660 20 5 EFBDMN O=C(/C=C/C1CC1)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226777534 1311721527 /nfs/dbraw/zinc/72/15/27/1311721527.db2.gz DADWIAPXLFIXQW-VOTSOKGWSA-N 0 1 329.400 2.642 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001227187300 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2.982 20 5 EFBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001254555905 1315722970 /nfs/dbraw/zinc/72/29/70/1315722970.db2.gz JIPANCRFIVJDOI-TZGCNFNXSA-N 0 1 343.427 2.613 20 5 EFBDMN C[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@]1(O)C(F)(F)F ZINC001254593415 1315728250 /nfs/dbraw/zinc/72/82/50/1315728250.db2.gz MHNSYXZRUTZGBO-KMUNFCNLSA-N 0 1 344.333 2.697 20 5 EFBDMN C[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@]1(O)C(F)(F)F ZINC001254593417 1315728573 /nfs/dbraw/zinc/72/85/73/1315728573.db2.gz MHNSYXZRUTZGBO-VCTAVGKDSA-N 0 1 344.333 2.697 20 5 EFBDMN O=C([C@H]1CCCCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001254599957 1315729827 /nfs/dbraw/zinc/72/98/27/1315729827.db2.gz NEXUDBWLVWFHPI-ZWKOTPCHSA-N 0 1 343.427 2.539 20 5 EFBDMN CC(C)CC(=O)N1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605878 1315730620 /nfs/dbraw/zinc/73/06/20/1315730620.db2.gz BURJLZUZWNFFCR-SFHVURJKSA-N 0 1 345.443 2.642 20 5 EFBDMN COc1cc(N2CCC([N@H+]3C[C@@H](C)OC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256101693 1315905123 /nfs/dbraw/zinc/90/51/23/1315905123.db2.gz QWIFBNLRFXWVNI-UONOGXRCSA-N 0 1 349.431 2.681 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(-c2nnc(CCN3C[C@@H](C)O[C@H](C)C3)o2)c1 ZINC001258020310 1316112722 /nfs/dbraw/zinc/11/27/22/1316112722.db2.gz QSHFJULYCFDGFT-CHWSQXEVSA-N 0 1 346.387 2.605 20 5 EFBDMN Cc1cc(-c2nnc(CCN3C[C@H](C)O[C@@H](C)C3)o2)cc([N+](=O)[O-])c1 ZINC001258144646 1316124666 /nfs/dbraw/zinc/12/46/66/1316124666.db2.gz DSSAJKZWBWCSKF-STQMWFEESA-N 0 1 346.387 2.605 20 5 EFBDMN O=S(=O)(Nc1cc2cccnc2c2ncccc12)c1cccnc1 ZINC001259608701 1316260960 /nfs/dbraw/zinc/26/09/60/1316260960.db2.gz YAHWXDUPVFSCAD-UHFFFAOYSA-N 0 1 336.376 2.979 20 5 EFBDMN CN1CCCC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001262652782 1316477504 /nfs/dbraw/zinc/47/75/04/1316477504.db2.gz PUDYGMHSSIPGLC-NSHDSACASA-N 0 1 345.321 2.828 20 5 EFBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCC3CCC3)c2)CC1 ZINC001262812422 1316493298 /nfs/dbraw/zinc/49/32/98/1316493298.db2.gz VAHDBZLGTDJCEV-UHFFFAOYSA-N 0 1 346.431 2.865 20 5 EFBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC001320624318 1329180153 /nfs/dbraw/zinc/18/01/53/1329180153.db2.gz IHUGCMWEJXXDOB-UHFFFAOYSA-N 0 1 338.327 2.674 20 5 EFBDMN C[C@@H](NC(=O)c1ccn(-c2ccncc2)n1)c1cccc([N+](=O)[O-])c1 ZINC001320795913 1329303216 /nfs/dbraw/zinc/30/32/16/1329303216.db2.gz GOQSEZMMPQSRPI-GFCCVEGCSA-N 0 1 337.339 2.667 20 5 EFBDMN CS[C@H]1CC[C@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC001322743524 1329484735 /nfs/dbraw/zinc/48/47/35/1329484735.db2.gz FESCDIYIWPJVIV-UWVGGRQHSA-N 0 1 326.422 2.797 20 5 EFBDMN CCOc1ccc(C(=O)N2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001317927556 1328444527 /nfs/dbraw/zinc/44/45/27/1328444527.db2.gz RVNFYHYVCUILBR-UHFFFAOYSA-N 0 1 335.404 2.550 20 5 EFBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC001324011740 1329590955 /nfs/dbraw/zinc/59/09/55/1329590955.db2.gz WOVUGEBRXQOIPK-SFHVURJKSA-N 0 1 340.379 2.881 20 5 EFBDMN C[C@H](COc1ccccc1F)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001325075391 1329669001 /nfs/dbraw/zinc/66/90/01/1329669001.db2.gz YRFYPSVJNKODAO-SNVBAGLBSA-N 0 1 334.303 2.637 20 5 EFBDMN COc1ccc(-c2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc2OC)cc1 ZINC001325995704 1329729400 /nfs/dbraw/zinc/72/94/00/1329729400.db2.gz SUOWPLOCWIUKLJ-HZPDHXFCSA-N 0 1 342.351 2.975 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@H]3OCCC[C@H]3C2)c1 ZINC001327149945 1330431238 /nfs/dbraw/zinc/43/12/38/1330431238.db2.gz HSZKXRALBQDYRS-KBXCAEBGSA-N 0 1 342.399 2.917 20 5 EFBDMN C[C@@]1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1(Cl)Cl ZINC001328069366 1330549329 /nfs/dbraw/zinc/54/93/29/1330549329.db2.gz ZBAHNFCFFYQJHT-LBPRGKRZSA-N 0 1 343.170 2.785 20 5 EFBDMN COC(=O)c1cncc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001333178744 1331088340 /nfs/dbraw/zinc/08/83/40/1331088340.db2.gz PPMPECYOJGOQFK-GFCCVEGCSA-N 0 1 329.356 2.936 20 5 EFBDMN COC(=O)c1cncc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001333178750 1331088519 /nfs/dbraw/zinc/08/85/19/1331088519.db2.gz PPMPECYOJGOQFK-LBPRGKRZSA-N 0 1 329.356 2.936 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@@H]4OCCC[C@H]4C3)c2)cc1 ZINC001333605294 1331179851 /nfs/dbraw/zinc/17/98/51/1331179851.db2.gz KXRKYROSPXDTQZ-YJBOKZPZSA-N 0 1 342.399 2.917 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2CCCc3nn[nH]c32)n1 ZINC001333659490 1331189296 /nfs/dbraw/zinc/18/92/96/1331189296.db2.gz ZHDACWYEDZWFET-SNVBAGLBSA-N 0 1 340.343 2.848 20 5 EFBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1nnc(C)n1C ZINC001336872171 1331511546 /nfs/dbraw/zinc/51/15/46/1331511546.db2.gz GEUDFCWXQIFWKS-GFCCVEGCSA-N 0 1 335.433 2.692 20 5 EFBDMN CC(C)=C(C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001339185165 1331811206 /nfs/dbraw/zinc/81/12/06/1331811206.db2.gz OBMZGIMHTDAAGK-UHFFFAOYSA-N 0 1 332.404 2.641 20 5 EFBDMN COC(=O)[C@@H]1CCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001339439423 1331867895 /nfs/dbraw/zinc/86/78/95/1331867895.db2.gz TXGIBLKULCFRRJ-HUUCEWRRSA-N 0 1 345.355 2.681 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3ccc(F)cc3F)C2)nc1 ZINC001342118220 1332306699 /nfs/dbraw/zinc/30/66/99/1332306699.db2.gz IQDQNRLYBMKBPM-CQSZACIVSA-N 0 1 348.353 2.997 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NC)n[nH]1 ZINC001343635611 1332364717 /nfs/dbraw/zinc/36/47/17/1332364717.db2.gz RRDNKPPUOHZTKW-VHSXEESVSA-N 0 1 346.391 2.759 20 5 EFBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001347379498 1332738800 /nfs/dbraw/zinc/73/88/00/1332738800.db2.gz HUMFDSFGIZJIDL-UHFFFAOYSA-N 0 1 346.391 2.862 20 5 EFBDMN COc1ccc(C2=NO[C@H](CNCc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001350329506 1333065261 /nfs/dbraw/zinc/06/52/61/1333065261.db2.gz IKTJYCBYWGNGNG-KRWDZBQOSA-N 0 1 341.367 2.886 20 5 EFBDMN O=C(CC1CCC1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002504206 1334304807 /nfs/dbraw/zinc/30/48/07/1334304807.db2.gz KCYBOWNMQNKBHU-UHFFFAOYSA-N 0 1 331.416 2.866 20 5 EFBDMN COC[C@H]1CCCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848478724 1334736688 /nfs/dbraw/zinc/73/66/88/1334736688.db2.gz MHOXIIKPZWYNHV-AWEZNQCLSA-N 0 1 330.388 2.774 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001357291337 1335297096 /nfs/dbraw/zinc/29/70/96/1335297096.db2.gz KRUSNTLQRUKEGT-HIFRSBDPSA-N 0 1 334.420 2.748 20 5 EFBDMN O=C(OCc1oc2ccccc2c1Br)[C@@H]1CC1[N+](=O)[O-] ZINC000849807501 1335764453 /nfs/dbraw/zinc/76/44/53/1335764453.db2.gz RGAXXDDLMSXYEG-RKDXNWHRSA-N 0 1 340.129 2.904 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738360597 1424942552 /nfs/dbraw/zinc/94/25/52/1424942552.db2.gz RDVZYUQIXVFBCU-UHFFFAOYSA-N 0 1 344.762 2.718 20 5 EFBDMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000820428764 1425929813 /nfs/dbraw/zinc/92/98/13/1425929813.db2.gz ZQNSMMXZWUVYAP-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN O=[N+]([O-])c1ccc(CN(Cc2ccc(-c3nnn[n-]3)o2)C2CC2)cc1 ZINC000826498265 1429942080 /nfs/dbraw/zinc/94/20/80/1429942080.db2.gz NREJEKMGZGMJEP-UHFFFAOYSA-N 0 1 340.343 2.533 20 5 EFBDMN O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)o2)C2CC2)cc1 ZINC000826498265 1429942082 /nfs/dbraw/zinc/94/20/82/1429942082.db2.gz NREJEKMGZGMJEP-UHFFFAOYSA-N 0 1 340.343 2.533 20 5 EFBDMN O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C2CC2)cc1 ZINC000826498265 1429942086 /nfs/dbraw/zinc/94/20/86/1429942086.db2.gz NREJEKMGZGMJEP-UHFFFAOYSA-N 0 1 340.343 2.533 20 5 EFBDMN CCC[NH+](CCC)CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736472954 1441956939 /nfs/dbraw/zinc/95/69/39/1441956939.db2.gz DKJWXUYMOMYYKZ-UHFFFAOYSA-N 0 1 347.423 2.699 20 5 EFBDMN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826282902 1443719765 /nfs/dbraw/zinc/71/97/65/1443719765.db2.gz FMMRUNOOKHFWEF-GFCCVEGCSA-N 0 1 338.371 2.934 20 5 EFBDMN C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824607488 1443976863 /nfs/dbraw/zinc/97/68/63/1443976863.db2.gz ZBTGVGQLHZYSBH-LBPRGKRZSA-N 0 1 338.371 2.668 20 5 EFBDMN CCC[NH+](CCC)CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736473838 1449402774 /nfs/dbraw/zinc/40/27/74/1449402774.db2.gz SSXKVCVQZLTEAB-UHFFFAOYSA-N 0 1 347.423 2.699 20 5 EFBDMN C[C@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000820428606 1450187339 /nfs/dbraw/zinc/18/73/39/1450187339.db2.gz YIIJFFCOXSUISB-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN CC1(C(=O)N[C@H]2C[C@H](NCc3csc([N+](=O)[O-])c3)C2)CC=CC1 ZINC001020544494 713127634 /nfs/dbraw/zinc/12/76/34/713127634.db2.gz SCHCVGMREXNRTG-JOCQHMNTSA-N 0 1 335.429 2.749 20 5 EFBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)c1ccsc1 ZINC001021811866 714506243 /nfs/dbraw/zinc/50/62/43/714506243.db2.gz GPVQXMMCLVSWLC-TXEJJXNPSA-N 0 1 337.426 2.768 20 5 EFBDMN CCc1[nH]ccc1C(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001022039676 714683807 /nfs/dbraw/zinc/68/38/07/714683807.db2.gz GRGINLKQTOJPGX-TXEJJXNPSA-N 0 1 348.428 2.597 20 5 EFBDMN O=C(Cc1ccccc1)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001022298728 714985191 /nfs/dbraw/zinc/98/51/91/714985191.db2.gz OCYOMIQEIOOVHU-GASCZTMLSA-N 0 1 345.424 2.636 20 5 EFBDMN COC(=O)C[C@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000934033642 715181883 /nfs/dbraw/zinc/18/18/83/715181883.db2.gz NIVPWNRUVGJFPH-AWEZNQCLSA-N 0 1 342.367 2.810 20 5 EFBDMN CN(C)Cc1ccnc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000934158571 715232169 /nfs/dbraw/zinc/23/21/69/715232169.db2.gz SPLRBZJJUKRZIN-HZPDHXFCSA-N 0 1 340.383 2.794 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(O)c(F)c3)C2)nc1 ZINC000892078626 715244050 /nfs/dbraw/zinc/24/40/50/715244050.db2.gz PAFWCIPLHMUJSM-GFCCVEGCSA-N 0 1 332.335 2.521 20 5 EFBDMN COc1c(O)ccc(CN2CCC([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000893520556 716488980 /nfs/dbraw/zinc/48/89/80/716488980.db2.gz JHXGSDCTSDYMHG-CQSZACIVSA-N 0 1 336.388 2.558 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H](O)COc1ccccc1 ZINC000892521820 718204597 /nfs/dbraw/zinc/20/45/97/718204597.db2.gz GUXSGRXYZOLXLY-CQSZACIVSA-N 0 1 336.775 2.778 20 5 EFBDMN COC(=O)N1CC(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000178170715 718274320 /nfs/dbraw/zinc/27/43/20/718274320.db2.gz NDSTZIFCKVOLGZ-UHFFFAOYSA-N 0 1 347.396 2.864 20 5 EFBDMN COc1c(O)ccc(CNCCO[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892580054 718305624 /nfs/dbraw/zinc/30/56/24/718305624.db2.gz ZIKHFFUZSKONAC-WFASDCNBSA-N 0 1 338.404 2.994 20 5 EFBDMN COc1c(O)ccc(CNC[C@H](OC)c2ccccc2)c1[N+](=O)[O-] ZINC000892658115 718385791 /nfs/dbraw/zinc/38/57/91/718385791.db2.gz HVDYFRVKHQDCLN-HNNXBMFYSA-N 0 1 332.356 2.786 20 5 EFBDMN CCCC(=O)N1CC2(C1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000981585007 718849350 /nfs/dbraw/zinc/84/93/50/718849350.db2.gz KARFTOPWFSOETQ-UHFFFAOYSA-N 0 1 331.416 2.819 20 5 EFBDMN CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893001971 719429249 /nfs/dbraw/zinc/42/92/49/719429249.db2.gz RCDITIHPVCCVSS-STQMWFEESA-N 0 1 346.836 2.694 20 5 EFBDMN CC1(C(=O)N[C@@H]2[C@H]3CN(Cc4cccc([N+](=O)[O-])c4)C[C@H]32)CCCC1 ZINC001025931056 719548076 /nfs/dbraw/zinc/54/80/76/719548076.db2.gz WENVYGDGKVSSDH-FVQHAEBGSA-N 0 1 343.427 2.722 20 5 EFBDMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1CC1 ZINC001025961632 719580724 /nfs/dbraw/zinc/58/07/24/719580724.db2.gz ZMVCADRFJNQTEH-FVQHAEBGSA-N 0 1 343.427 2.577 20 5 EFBDMN CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1CC1 ZINC001025961522 719580754 /nfs/dbraw/zinc/58/07/54/719580754.db2.gz KKLRDWMNOZFXCB-QLPKVWCKSA-N 0 1 343.427 2.577 20 5 EFBDMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1CC1 ZINC001025961522 719580758 /nfs/dbraw/zinc/58/07/58/719580758.db2.gz KKLRDWMNOZFXCB-QLPKVWCKSA-N 0 1 343.427 2.577 20 5 EFBDMN C[C@]12CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)CN(C(=O)C1CC1)C2 ZINC000982183918 719647192 /nfs/dbraw/zinc/64/71/92/719647192.db2.gz STIXVSXWOLVZIH-KDURUIRLSA-N 0 1 343.427 2.675 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004147855 720514291 /nfs/dbraw/zinc/51/42/91/720514291.db2.gz NGDKQRRPDJTZMC-UHFFFAOYSA-N 0 1 337.313 2.612 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cc(N(C)C)ccn1 ZINC000927694627 720719188 /nfs/dbraw/zinc/71/91/88/720719188.db2.gz DBHHPYODNKMXQF-UHFFFAOYSA-N 0 1 328.372 2.603 20 5 EFBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC000840672438 721961753 /nfs/dbraw/zinc/96/17/53/721961753.db2.gz QFXICFMNIWOBGT-AZTOOPQRSA-N 0 1 347.154 2.529 20 5 EFBDMN CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000896509802 723322071 /nfs/dbraw/zinc/32/20/71/723322071.db2.gz YJHWLPRUVJBQST-INIZCTEOSA-N 0 1 333.432 2.907 20 5 EFBDMN CC(C)(C)N1CC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000896509802 723322073 /nfs/dbraw/zinc/32/20/73/723322073.db2.gz YJHWLPRUVJBQST-INIZCTEOSA-N 0 1 333.432 2.907 20 5 EFBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(F)F)[C@H]1CN(C)CCN1C ZINC000895246745 723940961 /nfs/dbraw/zinc/94/09/61/723940961.db2.gz DFEBBZGUMGTMBD-QMTHXVAHSA-N 0 1 328.363 2.579 20 5 EFBDMN Cc1cn(CN2CCC[C@@H]2C(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728707193 724142383 /nfs/dbraw/zinc/14/23/83/724142383.db2.gz LFBDCYXCCDBNGF-OAHLLOKOSA-N 0 1 344.415 2.934 20 5 EFBDMN O=C1N(CN2C[C@@H]3CCC[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154783303 728908690 /nfs/dbraw/zinc/90/86/90/728908690.db2.gz MOICCKPTLBVGQH-OKILXGFUSA-N 0 1 330.388 2.526 20 5 EFBDMN O=C(Cc1[nH]nc2ccccc21)OCc1c(F)cccc1[N+](=O)[O-] ZINC000728994712 724953143 /nfs/dbraw/zinc/95/31/43/724953143.db2.gz UTIGCCYDYFJHQP-UHFFFAOYSA-N 0 1 329.287 2.896 20 5 EFBDMN C[C@@H](NC(=O)N1CCN(C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925231169 724984052 /nfs/dbraw/zinc/98/40/52/724984052.db2.gz ASRQVZUHIRJDRW-CYBMUJFWSA-N 0 1 332.404 2.536 20 5 EFBDMN CC(C)[C@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000741013790 725588245 /nfs/dbraw/zinc/58/82/45/725588245.db2.gz NPKYYYOPHBFNQG-MRXNPFEDSA-N 0 1 336.388 2.637 20 5 EFBDMN CC(C)c1ccc(CN2CCC([N@@H+](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000263510245 725833776 /nfs/dbraw/zinc/83/37/76/725833776.db2.gz NDKGARIAIQEODH-UHFFFAOYSA-N 0 1 349.431 2.699 20 5 EFBDMN CCCC1=C(C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 ZINC000007552979 727211389 /nfs/dbraw/zinc/21/13/89/727211389.db2.gz VYJSNASMACSMJK-AWEZNQCLSA-N 0 1 349.412 2.731 20 5 EFBDMN CC(C)[N@@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000910343739 727432646 /nfs/dbraw/zinc/43/26/46/727432646.db2.gz FXPZJWTXTMGUKX-UHFFFAOYSA-N 0 1 335.404 2.850 20 5 EFBDMN C[C@H]1CCC[N@@H+](CCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000917069481 727763766 /nfs/dbraw/zinc/76/37/66/727763766.db2.gz ZYXPDTYMRJJVOX-VGVVRCBHSA-N 0 1 333.388 2.836 20 5 EFBDMN Cc1c(CNCc2ccc(CS(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000917138088 727776224 /nfs/dbraw/zinc/77/62/24/727776224.db2.gz VELFIHGZNMJHSO-UHFFFAOYSA-N 0 1 348.424 2.738 20 5 EFBDMN Cc1c(CNCC(=O)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000917138062 727776312 /nfs/dbraw/zinc/77/63/12/727776312.db2.gz SJRWKXNIMUTWBN-UHFFFAOYSA-N 0 1 327.384 2.651 20 5 EFBDMN CC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172182006 728572775 /nfs/dbraw/zinc/57/27/75/728572775.db2.gz ICUUXULYFLDDME-UHFFFAOYSA-N 0 1 334.353 2.907 20 5 EFBDMN Nc1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000172197300 728573775 /nfs/dbraw/zinc/57/37/75/728573775.db2.gz HESDMRXZSBFKPL-UHFFFAOYSA-N 0 1 344.352 2.526 20 5 EFBDMN C[N@@H+](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000919859109 729098556 /nfs/dbraw/zinc/09/85/56/729098556.db2.gz IDLDCHULVXVUIW-XFXZXTDPSA-N 0 1 339.395 2.856 20 5 EFBDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC001589606257 949278497 /nfs/dbraw/zinc/27/84/97/949278497.db2.gz GXEKRSDXEKSZFB-MRXNPFEDSA-N 0 1 340.351 2.819 20 5 EFBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162335425 949390581 /nfs/dbraw/zinc/39/05/81/949390581.db2.gz RQLOBSFWMXPJFZ-JTQLQIEISA-N 0 1 331.166 2.652 20 5 EFBDMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001595012944 951272514 /nfs/dbraw/zinc/27/25/14/951272514.db2.gz XUYQDTFOXSOAKX-NSHDSACASA-N 0 1 332.360 2.690 20 5 EFBDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001589280295 953495125 /nfs/dbraw/zinc/49/51/25/953495125.db2.gz CIBBAIWLUQYALD-YPMHNXCESA-N 0 1 345.355 2.792 20 5 EFBDMN O=C([O-])[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923231033 957104840 /nfs/dbraw/zinc/10/48/40/957104840.db2.gz MRWKELYUNGZOJV-VIFPVBQESA-N 0 1 343.177 2.654 20 5 EFBDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923231033 957104844 /nfs/dbraw/zinc/10/48/44/957104844.db2.gz MRWKELYUNGZOJV-VIFPVBQESA-N 0 1 343.177 2.654 20 5 EFBDMN C[C@@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000923249838 957106544 /nfs/dbraw/zinc/10/65/44/957106544.db2.gz YASVJVYVYARGSC-QMMMGPOBSA-N 0 1 331.166 2.510 20 5 EFBDMN C[C@@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000923249838 957106549 /nfs/dbraw/zinc/10/65/49/957106549.db2.gz YASVJVYVYARGSC-QMMMGPOBSA-N 0 1 331.166 2.510 20 5 EFBDMN C[C@]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)(C(=O)[O-])c1ccccc1 ZINC001603248611 972414072 /nfs/dbraw/zinc/41/40/72/972414072.db2.gz JPMTZJYQXMHKJD-MRXNPFEDSA-N 0 1 336.294 2.963 20 5 EFBDMN CC(C)c1[nH+]ccn1CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001592039485 976761000 /nfs/dbraw/zinc/76/10/00/976761000.db2.gz KCUIQMWCCXKZOT-UHFFFAOYSA-N 0 1 332.360 2.654 20 5 EFBDMN C[C@](CC(=O)[O-])([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccnc1 ZINC001592328305 977745820 /nfs/dbraw/zinc/74/58/20/977745820.db2.gz KPTSCHLWOZQCRL-MRXNPFEDSA-N 0 1 333.319 2.609 20 5 EFBDMN C[C@@H]1CCC[N@H+](C(C)(C)CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000737747313 978441368 /nfs/dbraw/zinc/44/13/68/978441368.db2.gz AUFQSTKZSWKXEW-LLVKDONJSA-N 0 1 336.392 2.610 20 5 EFBDMN CC(C)[N@H+]1CC[C@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844209055 979360685 /nfs/dbraw/zinc/36/06/85/979360685.db2.gz ZOMJXFRGGRNBGP-YVARQFDVSA-N 0 1 333.388 2.835 20 5 EFBDMN CC(C)[N@H+]1CC[C@@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844209056 979360886 /nfs/dbraw/zinc/36/08/86/979360886.db2.gz ZOMJXFRGGRNBGP-YVZNUBBCSA-N 0 1 333.388 2.835 20 5 EFBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901785092 980514938 /nfs/dbraw/zinc/51/49/38/980514938.db2.gz CIMDLCYCOPHVCZ-PKXJPQMGSA-N 0 1 344.289 2.947 20 5 EFBDMN Cc1c(C[N@H+]2CCOc3ccccc3[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000903929037 981049980 /nfs/dbraw/zinc/04/99/80/981049980.db2.gz VDOMGXWPYSQMAT-QGZVFWFLSA-N 0 1 342.351 2.924 20 5 EFBDMN CC[N@H+]1CCC[C@@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001120426189 983029272 /nfs/dbraw/zinc/02/92/72/983029272.db2.gz DSTGRWWPRGQART-OWNNVSBGSA-N 0 1 333.388 2.836 20 5 EFBDMN C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001599902034 984851888 /nfs/dbraw/zinc/85/18/88/984851888.db2.gz GDAUSWTYCZHSEY-NSHDSACASA-N 0 1 343.339 2.582 20 5 EFBDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001589732079 987953606 /nfs/dbraw/zinc/95/36/06/987953606.db2.gz JTLWDKMBOBDVND-CYBMUJFWSA-N 0 1 336.388 2.926 20 5 EFBDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC001589732813 987968931 /nfs/dbraw/zinc/96/89/31/987968931.db2.gz YDTUTBSDZFKQEZ-OAHLLOKOSA-N 0 1 336.388 2.930 20 5 EFBDMN C[C@H](c1ccc(C(=O)[O-])o1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001593690529 996136134 /nfs/dbraw/zinc/13/61/34/996136134.db2.gz SIFHUQPXYKREQQ-GFCCVEGCSA-N 0 1 345.355 2.769 20 5 EFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001593718202 996239473 /nfs/dbraw/zinc/23/94/73/996239473.db2.gz ZYWOAFQRLUKTFV-SCLBCKFNSA-N 0 1 348.399 2.738 20 5 EFBDMN COC[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001599193137 997161680 /nfs/dbraw/zinc/16/16/80/997161680.db2.gz XRQLIPQZXJFOMF-KRWDZBQOSA-N 0 1 336.388 2.784 20 5 EFBDMN COC[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001599193137 997161695 /nfs/dbraw/zinc/16/16/95/997161695.db2.gz XRQLIPQZXJFOMF-KRWDZBQOSA-N 0 1 336.388 2.784 20 5 EFBDMN COc1cc(C[N@@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001599407567 997353091 /nfs/dbraw/zinc/35/30/91/997353091.db2.gz UOUZTSMJESHBRX-JGPRNRPPSA-N 0 1 340.351 2.816 20 5 EFBDMN COc1cc(C[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c([N+](=O)[O-])cc1F ZINC001599408150 997368477 /nfs/dbraw/zinc/36/84/77/997368477.db2.gz JXXUEAZTBOVYMR-ZBFHGGJFSA-N 0 1 338.335 2.572 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)C(C)(C)Cc1c[nH]nn1 ZINC001577406587 1089922727 /nfs/dbraw/zinc/92/27/27/1089922727.db2.gz VOSVBHGVIPNVTL-UHFFFAOYSA-N 0 1 332.360 2.642 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)C(C)(C)Cc1cnn[nH]1 ZINC001577406587 1089922748 /nfs/dbraw/zinc/92/27/48/1089922748.db2.gz VOSVBHGVIPNVTL-UHFFFAOYSA-N 0 1 332.360 2.642 20 5 EFBDMN CC[C@H](NC(=O)c1ccc2n1CCN[C@@H]2C)c1cccc([N+](=O)[O-])c1 ZINC001578233949 1090313979 /nfs/dbraw/zinc/31/39/79/1090313979.db2.gz AZOJJJXDFYXTFV-DOMZBBRYSA-N 0 1 342.399 2.942 20 5 EFBDMN COc1ccc([C@@H](C)NC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)cc1 ZINC001579193942 1090541945 /nfs/dbraw/zinc/54/19/45/1090541945.db2.gz YDIWXZDLYCGSGA-XIKOKIGWSA-N 0 1 343.383 2.655 20 5 EFBDMN COc1cccc2c1CC[C@@]2(N)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001579291679 1090581394 /nfs/dbraw/zinc/58/13/94/1090581394.db2.gz OJJGRPZUALHZBN-SFHVURJKSA-N 0 1 341.367 2.651 20 5 EFBDMN O=C(CCCCc1cn[nH]n1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000782314170 1092359015 /nfs/dbraw/zinc/35/90/15/1092359015.db2.gz FKFDYTNDAWLFKW-UHFFFAOYSA-N 0 1 338.751 2.823 20 5 EFBDMN Cc1ccc(C[N@@H+]2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001600415151 1095049913 /nfs/dbraw/zinc/04/99/13/1095049913.db2.gz DLDFZKNSPUNKIA-KRWDZBQOSA-N 0 1 342.351 2.620 20 5 EFBDMN Cc1ccc(C[N@H+]2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001600415151 1095049927 /nfs/dbraw/zinc/04/99/27/1095049927.db2.gz DLDFZKNSPUNKIA-KRWDZBQOSA-N 0 1 342.351 2.620 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC001600488536 1095103091 /nfs/dbraw/zinc/10/30/91/1095103091.db2.gz VTRZEGIYFDWSPC-LBPRGKRZSA-N 0 1 349.387 2.559 20 5 EFBDMN Cc1noc(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001600812946 1095349919 /nfs/dbraw/zinc/34/99/19/1095349919.db2.gz RWJUUUHBSYGLBF-LLVKDONJSA-N 0 1 333.344 2.614 20 5 EFBDMN Cc1noc(C[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001600812946 1095349936 /nfs/dbraw/zinc/34/99/36/1095349936.db2.gz RWJUUUHBSYGLBF-LLVKDONJSA-N 0 1 333.344 2.614 20 5 EFBDMN Cc1noc(C[N@@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001600812989 1095350096 /nfs/dbraw/zinc/35/00/96/1095350096.db2.gz TVYHLBGHIGYHLE-OLZOCXBDSA-N 0 1 337.376 2.747 20 5 EFBDMN Cc1noc(C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001600812989 1095350110 /nfs/dbraw/zinc/35/01/10/1095350110.db2.gz TVYHLBGHIGYHLE-OLZOCXBDSA-N 0 1 337.376 2.747 20 5 EFBDMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001601727197 1095865160 /nfs/dbraw/zinc/86/51/60/1095865160.db2.gz GDEDURMRQKKLOX-GOSISDBHSA-N 0 1 344.342 2.962 20 5 EFBDMN O=C([O-])COc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001602082718 1096051741 /nfs/dbraw/zinc/05/17/41/1096051741.db2.gz VLBVFAPYQMJBJW-UHFFFAOYSA-N 0 1 342.351 2.617 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001602082718 1096051752 /nfs/dbraw/zinc/05/17/52/1096051752.db2.gz VLBVFAPYQMJBJW-UHFFFAOYSA-N 0 1 342.351 2.617 20 5 EFBDMN O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001602299517 1096166077 /nfs/dbraw/zinc/16/60/77/1096166077.db2.gz YODDUVKTYSBNJD-SECBINFHSA-N 0 1 339.779 2.843 20 5 EFBDMN O=C([O-])c1ccc(F)c2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001602368299 1096208707 /nfs/dbraw/zinc/20/87/07/1096208707.db2.gz XGXVGHPUIYUENG-UHFFFAOYSA-N 0 1 330.315 2.990 20 5 EFBDMN O=C([O-])c1ccc(F)c2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001602368299 1096208712 /nfs/dbraw/zinc/20/87/12/1096208712.db2.gz XGXVGHPUIYUENG-UHFFFAOYSA-N 0 1 330.315 2.990 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC001602403656 1096223586 /nfs/dbraw/zinc/22/35/86/1096223586.db2.gz LBUFWMAREKXSTC-DJIMGWMZSA-N 0 1 348.399 2.809 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC001602405493 1096225122 /nfs/dbraw/zinc/22/51/22/1096225122.db2.gz VERWODSSWUUYKI-HOTGVXAUSA-N 0 1 346.383 2.827 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC001602405493 1096225124 /nfs/dbraw/zinc/22/51/24/1096225124.db2.gz VERWODSSWUUYKI-HOTGVXAUSA-N 0 1 346.383 2.827 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC001602405495 1096225348 /nfs/dbraw/zinc/22/53/48/1096225348.db2.gz VERWODSSWUUYKI-HZPDHXFCSA-N 0 1 346.383 2.827 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC001602405495 1096225354 /nfs/dbraw/zinc/22/53/54/1096225354.db2.gz VERWODSSWUUYKI-HZPDHXFCSA-N 0 1 346.383 2.827 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC001602405422 1096225402 /nfs/dbraw/zinc/22/54/02/1096225402.db2.gz SUGAFPNKIOFBLE-CYBMUJFWSA-N 0 1 327.340 2.678 20 5 EFBDMN O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000843703362 1096623027 /nfs/dbraw/zinc/62/30/27/1096623027.db2.gz SGDGLJCAWVURGM-CXTDYRRUSA-N 0 1 345.252 2.692 20 5 EFBDMN CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603783902 1096626378 /nfs/dbraw/zinc/62/63/78/1096626378.db2.gz JYTKSTVXKRFZAS-QGZVFWFLSA-N 0 1 336.388 2.666 20 5 EFBDMN CC(C)CCO[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001603795973 1096630345 /nfs/dbraw/zinc/63/03/45/1096630345.db2.gz WUVFODIUOZZTEF-OAHLLOKOSA-N 0 1 336.388 2.930 20 5 EFBDMN C/C=C(\CC)C(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC001603962087 1096684500 /nfs/dbraw/zinc/68/45/00/1096684500.db2.gz ISGQPQXOZIYKMQ-XVNBXDOJSA-N 0 1 336.739 2.723 20 5 EFBDMN CCC(CC)Cn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001604025160 1096702664 /nfs/dbraw/zinc/70/26/64/1096702664.db2.gz AGZQCOKQZWWXQV-UHFFFAOYSA-N 0 1 342.359 2.526 20 5 EFBDMN C[C@@]([NH2+]Cc1ccc(Cl)cn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604349717 1096825355 /nfs/dbraw/zinc/82/53/55/1096825355.db2.gz KEELNCQXIVYOSO-HNNXBMFYSA-N 0 1 335.747 2.733 20 5 EFBDMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001604786449 1096955115 /nfs/dbraw/zinc/95/51/15/1096955115.db2.gz SXORWILKIGBDJW-ZJUUUORDSA-N 0 1 341.795 2.723 20 5 EFBDMN C[N@H+]1CCCC[C@@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001606225959 1097355657 /nfs/dbraw/zinc/35/56/57/1097355657.db2.gz NIWWMKGXYCIURI-QPBFKRLHSA-N 0 1 333.388 2.836 20 5 EFBDMN COCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC001606890277 1097465834 /nfs/dbraw/zinc/46/58/34/1097465834.db2.gz YTZRVEGXNJDDNJ-SWLSCSKDSA-N 0 1 336.388 2.930 20 5 EFBDMN Cc1noc(C[NH2+][C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC001608028027 1097810406 /nfs/dbraw/zinc/81/04/06/1097810406.db2.gz OMEDMKDZNFRCTL-CQSZACIVSA-N 0 1 333.344 2.833 20 5 EFBDMN O=C([O-])[C@H](c1ccccc1F)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001608562921 1097954669 /nfs/dbraw/zinc/95/46/69/1097954669.db2.gz LFADTCVZJIIJLB-INIZCTEOSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001608562921 1097954674 /nfs/dbraw/zinc/95/46/74/1097954674.db2.gz LFADTCVZJIIJLB-INIZCTEOSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC001608634033 1097972115 /nfs/dbraw/zinc/97/21/15/1097972115.db2.gz QEKYCGDTEOSZKO-NCOADZHNSA-N 0 1 348.399 2.594 20 5 EFBDMN O=C([O-])Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC001608776510 1098017996 /nfs/dbraw/zinc/01/79/96/1098017996.db2.gz OTTVDEUNZBTWRI-UHFFFAOYSA-N 0 1 341.323 2.653 20 5 EFBDMN O=C([O-])c1cnc([C@@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)s1 ZINC001608967344 1098091435 /nfs/dbraw/zinc/09/14/35/1098091435.db2.gz BZONQBHRWLPFJE-LLVKDONJSA-N 0 1 348.384 2.524 20 5 EFBDMN O=C([O-])c1cnc([C@@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)s1 ZINC001608967344 1098091441 /nfs/dbraw/zinc/09/14/41/1098091441.db2.gz BZONQBHRWLPFJE-LLVKDONJSA-N 0 1 348.384 2.524 20 5 EFBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccn1 ZINC001609730448 1098440557 /nfs/dbraw/zinc/44/05/57/1098440557.db2.gz QPYNIKBIBKYLET-INIZCTEOSA-N 0 1 333.319 2.609 20 5 EFBDMN CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610072971 1098539890 /nfs/dbraw/zinc/53/98/90/1098539890.db2.gz LFLUREHFTUZKDM-JTQLQIEISA-N 0 1 346.343 2.642 20 5 EFBDMN C[N@@H+](CCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)Cc1ccccc1 ZINC001610117078 1098551559 /nfs/dbraw/zinc/55/15/59/1098551559.db2.gz RKKACXCFOSYNQB-UHFFFAOYSA-N 0 1 330.340 2.804 20 5 EFBDMN Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610118648 1098552630 /nfs/dbraw/zinc/55/26/30/1098552630.db2.gz XXNKNVGNSAWKET-HNNXBMFYSA-N 0 1 344.371 2.536 20 5 EFBDMN Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610118648 1098552631 /nfs/dbraw/zinc/55/26/31/1098552631.db2.gz XXNKNVGNSAWKET-HNNXBMFYSA-N 0 1 344.371 2.536 20 5 EFBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)n1 ZINC001610436726 1098676169 /nfs/dbraw/zinc/67/61/69/1098676169.db2.gz BFRHVYVEVDKWCB-JQWIXIFHSA-N 0 1 336.392 2.529 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC001610478447 1098699934 /nfs/dbraw/zinc/69/99/34/1098699934.db2.gz LUQHLYRKHOWKMT-LBPRGKRZSA-N 0 1 349.387 2.559 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC001610478443 1098700169 /nfs/dbraw/zinc/70/01/69/1098700169.db2.gz LQRPTNAPTUWKSD-OAHLLOKOSA-N 0 1 349.387 2.561 20 5 EFBDMN O=C([O-])[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1 ZINC001610720792 1098848886 /nfs/dbraw/zinc/84/88/86/1098848886.db2.gz TULFPQHPVAOVLB-AWEZNQCLSA-N 0 1 336.731 2.869 20 5 EFBDMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001610730458 1098857333 /nfs/dbraw/zinc/85/73/33/1098857333.db2.gz WBRGXLIODQOLIE-GOSISDBHSA-N 0 1 342.351 2.529 20 5 EFBDMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001610730458 1098857341 /nfs/dbraw/zinc/85/73/41/1098857341.db2.gz WBRGXLIODQOLIE-GOSISDBHSA-N 0 1 342.351 2.529 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC001610840053 1098926557 /nfs/dbraw/zinc/92/65/57/1098926557.db2.gz IVVRVESDCGCMMR-NVXWUHKLSA-N 0 1 342.351 2.601 20 5 EFBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(C2CCCC2)CC1 ZINC000843763130 1099622681 /nfs/dbraw/zinc/62/26/81/1099622681.db2.gz FFQYZNJOEAYKBD-UHFFFAOYSA-N 0 1 335.379 2.743 20 5 EFBDMN Cc1cc(C(=O)N(CCN(C)c2ccccc2[N+](=O)[O-])C(C)C)n[nH]1 ZINC001125453875 1101510552 /nfs/dbraw/zinc/51/05/52/1101510552.db2.gz FSTRZNNZSOJZPT-UHFFFAOYSA-N 0 1 345.403 2.613 20 5 EFBDMN CCOC[C@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000748087679 1101568891 /nfs/dbraw/zinc/56/88/91/1101568891.db2.gz AESMCARPTALCBY-AWEZNQCLSA-N 0 1 330.388 2.774 20 5 EFBDMN Nc1ccc(Br)c2cnn(-c3ccc(O)c([N+](=O)[O-])c3)c21 ZINC001210397713 1102557498 /nfs/dbraw/zinc/55/74/98/1102557498.db2.gz FLVQXTWQUZVNQY-UHFFFAOYSA-N 0 1 349.144 2.984 20 5 EFBDMN O=C(CCNCc1nc2c(s1)CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000905519761 1103301626 /nfs/dbraw/zinc/30/16/26/1103301626.db2.gz FUPNDDCPQACYPI-UHFFFAOYSA-N 0 1 346.412 2.658 20 5 EFBDMN O=[N+]([O-])CCNCc1ccc(Br)c(Br)c1 ZINC000905652410 1103425979 /nfs/dbraw/zinc/42/59/79/1103425979.db2.gz FLSKBCPIXHFTQF-UHFFFAOYSA-N 0 1 337.999 2.578 20 5 EFBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000905984381 1103793032 /nfs/dbraw/zinc/79/30/32/1103793032.db2.gz LYAKHNVSEDGPEU-IJLUTSLNSA-N 0 1 337.445 2.870 20 5 EFBDMN C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000905986393 1103794641 /nfs/dbraw/zinc/79/46/41/1103794641.db2.gz XZUHGABWDNWNAT-CMSWKTDVSA-N 0 1 331.416 2.638 20 5 EFBDMN CC(C)S(=O)(=O)CCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841759533 1104829041 /nfs/dbraw/zinc/82/90/41/1104829041.db2.gz ZLDVJFRZGBEARS-MRXNPFEDSA-N 0 1 340.445 2.775 20 5 EFBDMN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1OC(F)F ZINC000090539947 1106472322 /nfs/dbraw/zinc/47/23/22/1106472322.db2.gz NHPCZGMWOSVBIG-VIFPVBQESA-N 0 1 344.293 2.883 20 5 EFBDMN COCCCCN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842173666 1109101726 /nfs/dbraw/zinc/10/17/26/1109101726.db2.gz RRVQUTTYPHEDNM-UHFFFAOYSA-N 0 1 329.784 2.545 20 5 EFBDMN COc1ccccc1[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000842321721 1109447214 /nfs/dbraw/zinc/44/72/14/1109447214.db2.gz NVSQCDSRMYUWAD-BFYDXBDKSA-N 0 1 327.336 2.993 20 5 EFBDMN C=C1N=C(SCC[N+](=O)[O-])N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000899877556 1109531485 /nfs/dbraw/zinc/53/14/85/1109531485.db2.gz ZYVPEOURNNEWLQ-AWEZNQCLSA-N 0 1 349.412 2.534 20 5 EFBDMN Cc1ccc(NC(=O)C2CCC(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000899911097 1109548399 /nfs/dbraw/zinc/54/83/99/1109548399.db2.gz NDLTZSLXGZWEPJ-UHFFFAOYSA-N 0 1 347.415 2.733 20 5 EFBDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2F)C2CC2)c1[N+](=O)[O-] ZINC000171670400 529465551 /nfs/dbraw/zinc/46/55/51/529465551.db2.gz DNOKHNKCBLYUAI-UHFFFAOYSA-N 0 1 332.335 2.824 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H](C2OCCO2)C1 ZINC000174841391 231322394 /nfs/dbraw/zinc/32/23/94/231322394.db2.gz HTAWUTPOUSSJEY-NSHDSACASA-N 0 1 326.780 2.833 20 5 EFBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000159962687 529580484 /nfs/dbraw/zinc/58/04/84/529580484.db2.gz WYWJMAUMLBAGDX-VIFPVBQESA-N 0 1 340.286 2.800 20 5 EFBDMN COc1cc(CNc2nnc(CC(C)(C)C)o2)cc([N+](=O)[O-])c1O ZINC000181780547 234320715 /nfs/dbraw/zinc/32/07/15/234320715.db2.gz GVGDGIFIRNUVEJ-UHFFFAOYSA-N 0 1 336.348 2.893 20 5 EFBDMN CCSCC[C@H](C)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072901604 216326409 /nfs/dbraw/zinc/32/64/09/216326409.db2.gz FMTWPUJDJOCLDV-LBPRGKRZSA-N 0 1 325.434 2.997 20 5 EFBDMN CCOC[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000072977246 216335820 /nfs/dbraw/zinc/33/58/20/216335820.db2.gz AOXMSBWTKNAXAX-ZDUSSCGKSA-N 0 1 336.388 2.710 20 5 EFBDMN CN(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000025810776 212498919 /nfs/dbraw/zinc/49/89/19/212498919.db2.gz WTHARSZGOSMXQV-HNNXBMFYSA-N 0 1 333.413 2.618 20 5 EFBDMN Cc1c(CC(=O)NC[C@@H](c2cccs2)N(C)C)cccc1[N+](=O)[O-] ZINC000159482439 239028344 /nfs/dbraw/zinc/02/83/44/239028344.db2.gz DTMWCODRMABUAV-HNNXBMFYSA-N 0 1 347.440 2.926 20 5 EFBDMN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000194969350 240191800 /nfs/dbraw/zinc/19/18/00/240191800.db2.gz URLZALOHFPZJOF-SWLSCSKDSA-N 0 1 340.314 2.896 20 5 EFBDMN COC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC000193747378 240291827 /nfs/dbraw/zinc/29/18/27/240291827.db2.gz QPKYMVXUPNKZBI-UHFFFAOYSA-N 0 1 339.348 2.524 20 5 EFBDMN C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000358351806 299374118 /nfs/dbraw/zinc/37/41/18/299374118.db2.gz LHTAKXAPKYAPNN-CMPLNLGQSA-N 0 1 345.321 2.799 20 5 EFBDMN O=[N+]([O-])c1ccn(CCN2CC3(CCOCC3)[C@@H]2c2ccccc2)n1 ZINC000412002514 243066602 /nfs/dbraw/zinc/06/66/02/243066602.db2.gz UKKYJVJWNDQVCE-KRWDZBQOSA-N 0 1 342.399 2.645 20 5 EFBDMN CO[C@@](C)([C@@H](C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000411951236 243040696 /nfs/dbraw/zinc/04/06/96/243040696.db2.gz PUQCRDXSCXCEAM-DIFFPNOSSA-N 0 1 346.387 2.938 20 5 EFBDMN CO[C@](C)([C@H](C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000411972837 243050793 /nfs/dbraw/zinc/05/07/93/243050793.db2.gz QRQPJWHFECHTJS-APPDUMDISA-N 0 1 346.387 2.938 20 5 EFBDMN CCN(Cc1occc1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412029633 243081695 /nfs/dbraw/zinc/08/16/95/243081695.db2.gz UYLRCKRGXYKCEC-AWEZNQCLSA-N 0 1 334.372 2.758 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000412220978 243210187 /nfs/dbraw/zinc/21/01/87/243210187.db2.gz AZDRWVSYYNHCKR-MGBSGCIJSA-N 0 1 331.416 2.639 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@@H]1C ZINC000412234811 243219523 /nfs/dbraw/zinc/21/95/23/243219523.db2.gz QJFFWSILOKBMQC-UONOGXRCSA-N 0 1 349.431 2.937 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000412232703 243219966 /nfs/dbraw/zinc/21/99/66/243219966.db2.gz NYBPZYZCVAQSCJ-LEWSCRJBSA-N 0 1 343.387 2.817 20 5 EFBDMN CCOC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246323747 243229650 /nfs/dbraw/zinc/22/96/50/243229650.db2.gz HENYGPRYXGBPHI-ZIAGYGMSSA-N 0 1 335.404 2.670 20 5 EFBDMN COC(=O)c1cnc([C@@H](C)NCCc2cccc([N+](=O)[O-])c2)s1 ZINC000414101603 244007205 /nfs/dbraw/zinc/00/72/05/244007205.db2.gz MEXOAHWSTZCAMM-SNVBAGLBSA-N 0 1 335.385 2.731 20 5 EFBDMN Cc1cc(C[NH+](C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000414453992 244170900 /nfs/dbraw/zinc/17/09/00/244170900.db2.gz CIHZNWGAGUDJLO-UHFFFAOYSA-N 0 1 349.412 2.766 20 5 EFBDMN NC1(c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)CCCC1 ZINC000414629951 244261720 /nfs/dbraw/zinc/26/17/20/244261720.db2.gz RRBFQJLBHVOZKA-UHFFFAOYSA-N 0 1 340.286 2.974 20 5 EFBDMN CC(C)CN1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000080054238 217275951 /nfs/dbraw/zinc/27/59/51/217275951.db2.gz KVXSPMJEQLYUHN-CQSZACIVSA-N 0 1 334.420 2.639 20 5 EFBDMN CC(C)CN1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000080054237 217275962 /nfs/dbraw/zinc/27/59/62/217275962.db2.gz KVXSPMJEQLYUHN-AWEZNQCLSA-N 0 1 334.420 2.639 20 5 EFBDMN NC(=O)c1ccc(CN2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000264206946 246184653 /nfs/dbraw/zinc/18/46/53/246184653.db2.gz RHAGKUWMUFUQAS-CQSZACIVSA-N 0 1 343.358 2.822 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000264880069 247001167 /nfs/dbraw/zinc/00/11/67/247001167.db2.gz CKOIXOHPRFIYNJ-AWEZNQCLSA-N 0 1 328.372 2.782 20 5 EFBDMN C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)N1C ZINC000425490868 247105769 /nfs/dbraw/zinc/10/57/69/247105769.db2.gz ZICQMEYOHPEXGA-PHIMTYICSA-N 0 1 342.237 2.882 20 5 EFBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000425417782 247078061 /nfs/dbraw/zinc/07/80/61/247078061.db2.gz IHOFAJUTZATDQW-BXUZGUMPSA-N 0 1 343.221 2.950 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000264960342 247088492 /nfs/dbraw/zinc/08/84/92/247088492.db2.gz MAVRLHXRBOQHOQ-QGZVFWFLSA-N 0 1 328.372 2.820 20 5 EFBDMN CCOc1ccc(NC(=O)CN2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426473938 247285009 /nfs/dbraw/zinc/28/50/09/247285009.db2.gz ZAJPZAALOQARBI-DOMZBBRYSA-N 0 1 333.388 2.806 20 5 EFBDMN Cc1ccnc(NC2CCN(Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000265255103 247343307 /nfs/dbraw/zinc/34/33/07/247343307.db2.gz RPOFSNTVZQBCPU-UHFFFAOYSA-N 0 1 327.388 2.770 20 5 EFBDMN CCN(CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000427690097 247383200 /nfs/dbraw/zinc/38/32/00/247383200.db2.gz RMRNPDQNQLRVGD-UHFFFAOYSA-N 0 1 343.383 2.865 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1CN(CCO)[C@H]1CCCSC1 ZINC000433184831 248024879 /nfs/dbraw/zinc/02/48/79/248024879.db2.gz XYXMANJVFAWWJK-ZDUSSCGKSA-N 0 1 330.837 2.938 20 5 EFBDMN CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000433929274 248103988 /nfs/dbraw/zinc/10/39/88/248103988.db2.gz FOWOWQQUOXRIQF-DLBZAZTESA-N 0 1 348.378 2.960 20 5 EFBDMN CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[N@@H+]1CCOC(C)(C)C1 ZINC000435051458 248207686 /nfs/dbraw/zinc/20/76/86/248207686.db2.gz ZAEHWFUMOSKYCJ-SOFGYWHQSA-N 0 1 333.432 2.651 20 5 EFBDMN COc1ccc(CNCc2cccc(N3CCC3=O)c2)cc1[N+](=O)[O-] ZINC000441212289 250009060 /nfs/dbraw/zinc/00/90/60/250009060.db2.gz SLVGHDCJIVFAKT-UHFFFAOYSA-N 0 1 341.367 2.630 20 5 EFBDMN CCOC[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093419175 218224365 /nfs/dbraw/zinc/22/43/65/218224365.db2.gz SLKFRDJEOFOIJA-CYBMUJFWSA-N 0 1 338.404 2.861 20 5 EFBDMN CC(C)[C@@H](CNc1ncc([N+](=O)[O-])s1)N1CCc2ccccc2C1 ZINC000443515351 250203187 /nfs/dbraw/zinc/20/31/87/250203187.db2.gz BZQXZFGFNDYNER-OAHLLOKOSA-N 0 1 346.456 2.968 20 5 EFBDMN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000443939093 250238409 /nfs/dbraw/zinc/23/84/09/250238409.db2.gz XZEBZGROJHPOGD-GZMMTYOYSA-N 0 1 340.323 2.850 20 5 EFBDMN CCc1nc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n[nH]1 ZINC000444228768 250273844 /nfs/dbraw/zinc/27/38/44/250273844.db2.gz UQCIWIIJOBRPRW-UHFFFAOYSA-N 0 1 333.351 2.614 20 5 EFBDMN CCc1n[nH]c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000444228768 250273846 /nfs/dbraw/zinc/27/38/46/250273846.db2.gz UQCIWIIJOBRPRW-UHFFFAOYSA-N 0 1 333.351 2.614 20 5 EFBDMN C[C@@H]1[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCCN1C ZINC000444302941 250284776 /nfs/dbraw/zinc/28/47/76/250284776.db2.gz SKYSELMNQHYDNC-DYVFJYSZSA-N 0 1 349.434 2.894 20 5 EFBDMN Cc1ccc(F)c(CN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000444736995 250338134 /nfs/dbraw/zinc/33/81/34/250338134.db2.gz OFJCIUNIPSYSPT-OAHLLOKOSA-N 0 1 348.374 2.914 20 5 EFBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCN1CC=C(C)CC1 ZINC000446421051 250498569 /nfs/dbraw/zinc/49/85/69/250498569.db2.gz NMHSTLRHZUJMJD-UHFFFAOYSA-N 0 1 337.807 2.938 20 5 EFBDMN CCN1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000449520739 251050467 /nfs/dbraw/zinc/05/04/67/251050467.db2.gz STYMEGIKNVPSRV-CYBMUJFWSA-N 0 1 329.356 2.565 20 5 EFBDMN CCN1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000449517251 251050785 /nfs/dbraw/zinc/05/07/85/251050785.db2.gz JNAHPOCJSWRFAT-LBPRGKRZSA-N 0 1 329.356 2.565 20 5 EFBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000449569088 251069190 /nfs/dbraw/zinc/06/91/90/251069190.db2.gz GDWVNVHNMIGBAL-TYNCELHUSA-N 0 1 343.387 2.804 20 5 EFBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000449569087 251069586 /nfs/dbraw/zinc/06/95/86/251069586.db2.gz GDWVNVHNMIGBAL-LALPHHSUSA-N 0 1 343.387 2.804 20 5 EFBDMN CO[C@@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000449631050 251087556 /nfs/dbraw/zinc/08/75/56/251087556.db2.gz JTWIDJJIYAFYDY-HZPDHXFCSA-N 0 1 348.399 2.851 20 5 EFBDMN CC(C)CN1CCO[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450223562 251305320 /nfs/dbraw/zinc/30/53/20/251305320.db2.gz NPDAWYGUIPYGNJ-AWEZNQCLSA-N 0 1 344.415 2.912 20 5 EFBDMN O=c1[nH]nc(C2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)o1 ZINC000450498705 251399707 /nfs/dbraw/zinc/39/97/07/251399707.db2.gz HWECXVYDWWGMKJ-UHFFFAOYSA-N 0 1 341.327 2.616 20 5 EFBDMN C[C@@](CO)(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000152995167 224042327 /nfs/dbraw/zinc/04/23/27/224042327.db2.gz YODUVXJKFNBQBL-KRWDZBQOSA-N 0 1 346.387 2.532 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000423992133 291827598 /nfs/dbraw/zinc/82/75/98/291827598.db2.gz FVNWXJULXJTVNC-SFHVURJKSA-N 0 1 339.395 2.998 20 5 EFBDMN O=c1[nH]nc([C@@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)o1 ZINC000375042062 285079920 /nfs/dbraw/zinc/07/99/20/285079920.db2.gz KGGSAEDTBCGCNO-SNVBAGLBSA-N 0 1 341.327 2.616 20 5 EFBDMN C[C@@H]1CN(CCCNc2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000153555941 224121243 /nfs/dbraw/zinc/12/12/43/224121243.db2.gz VAWHSJJFHOQYQG-GHMZBOCLSA-N 0 1 328.800 2.554 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153444957 224105735 /nfs/dbraw/zinc/10/57/35/224105735.db2.gz FZDXERQSNSVIMM-JSGCOSHPSA-N 0 1 337.445 2.628 20 5 EFBDMN C[C@H]1CN(CCCNc2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000153555865 224121578 /nfs/dbraw/zinc/12/15/78/224121578.db2.gz VAWHSJJFHOQYQG-QWRGUYRKSA-N 0 1 328.800 2.554 20 5 EFBDMN CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000112701007 220378414 /nfs/dbraw/zinc/37/84/14/220378414.db2.gz MFAISIRXHCHUPV-AWEZNQCLSA-N 0 1 333.432 2.969 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1CN1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451296864 285154357 /nfs/dbraw/zinc/15/43/57/285154357.db2.gz BNBVFVNVKHRVCW-OZVIIMIRSA-N 0 1 340.807 2.610 20 5 EFBDMN C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000182131271 296388126 /nfs/dbraw/zinc/38/81/26/296388126.db2.gz OZUITXIFGFMPFU-CYBMUJFWSA-N 0 1 335.404 2.542 20 5 EFBDMN O=[N+]([O-])c1ccccc1N1CCN(CCCO[C@H]2CCCCO2)CC1 ZINC000338255311 285163611 /nfs/dbraw/zinc/16/36/11/285163611.db2.gz ZJFVHXWGDXJNHC-SFHVURJKSA-N 0 1 349.431 2.650 20 5 EFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccnc(N(C)C)n1 ZINC000468587876 256016894 /nfs/dbraw/zinc/01/68/94/256016894.db2.gz QCDWUZHXDCYEHD-LCYFTJDESA-N 0 1 327.388 2.644 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000118640201 221163637 /nfs/dbraw/zinc/16/36/37/221163637.db2.gz UHBGMYKAUOFOTM-UHFFFAOYSA-N 0 1 347.415 2.877 20 5 EFBDMN COc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000154666719 533303960 /nfs/dbraw/zinc/30/39/60/533303960.db2.gz JPTYHJSEOAASSB-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000339161556 296508355 /nfs/dbraw/zinc/50/83/55/296508355.db2.gz SLOBMWXSMCDRPY-SFHVURJKSA-N 0 1 328.368 2.614 20 5 EFBDMN CN1CCC[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000344604550 142047177 /nfs/dbraw/zinc/04/71/77/142047177.db2.gz AMFKSNMBVGJMSW-OAHLLOKOSA-N 0 1 329.356 2.565 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000345923047 142118870 /nfs/dbraw/zinc/11/88/70/142118870.db2.gz PZUFMXHICFLMBI-GHMZBOCLSA-N 0 1 325.796 2.803 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000345937058 142120637 /nfs/dbraw/zinc/12/06/37/142120637.db2.gz BMTUFHGPRLSIJP-OLZOCXBDSA-N 0 1 346.431 2.724 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000345939151 142120895 /nfs/dbraw/zinc/12/08/95/142120895.db2.gz CEZQFJPCHAUNRC-NEPJUHHUSA-N 0 1 339.823 2.732 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345975097 142127044 /nfs/dbraw/zinc/12/70/44/142127044.db2.gz XVNALAUNHQNWLS-LSDHHAIUSA-N 0 1 348.447 2.728 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H](O)CCc1ccccc1)CC2 ZINC000347463841 142221358 /nfs/dbraw/zinc/22/13/58/142221358.db2.gz LNOHHMAPZONHGP-IBGZPJMESA-N 0 1 326.396 2.947 20 5 EFBDMN COc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000347568365 142237555 /nfs/dbraw/zinc/23/75/55/142237555.db2.gz VDWROYFCXNXDEE-NEPJUHHUSA-N 0 1 344.371 2.676 20 5 EFBDMN O=C(Nc1cccc(OCC(F)F)n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000347991983 142304986 /nfs/dbraw/zinc/30/49/86/142304986.db2.gz BJTOGJFZEGOSPJ-UHFFFAOYSA-N 0 1 339.254 2.592 20 5 EFBDMN NC(=O)[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000349952592 142381986 /nfs/dbraw/zinc/38/19/86/142381986.db2.gz QFJFLZXPQOGUKI-HNNXBMFYSA-N 0 1 333.775 2.607 20 5 EFBDMN CSCC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000352505109 142500383 /nfs/dbraw/zinc/50/03/83/142500383.db2.gz XXAQALGIBKQSKN-OCCSQVGLSA-N 0 1 339.461 2.764 20 5 EFBDMN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)N1C ZINC000339620336 144806960 /nfs/dbraw/zinc/80/69/60/144806960.db2.gz VAVJETRUVKDUMN-CHWSQXEVSA-N 0 1 330.388 2.774 20 5 EFBDMN C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)N1C ZINC000339620337 144807005 /nfs/dbraw/zinc/80/70/05/144807005.db2.gz VAVJETRUVKDUMN-STQMWFEESA-N 0 1 330.388 2.774 20 5 EFBDMN Cc1ccccc1OCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342108503 145063836 /nfs/dbraw/zinc/06/38/36/145063836.db2.gz BQFCABPZUMGKRC-UHFFFAOYSA-N 0 1 340.339 2.588 20 5 EFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000342235129 145085296 /nfs/dbraw/zinc/08/52/96/145085296.db2.gz IOHUXANZKMEBCP-HIFRSBDPSA-N 0 1 330.388 2.586 20 5 EFBDMN O=C1c2ccccc2CCN1CCNCc1ccc([N+](=O)[O-])cc1F ZINC000342303305 145097040 /nfs/dbraw/zinc/09/70/40/145097040.db2.gz REAYQBJFMCKDRL-UHFFFAOYSA-N 0 1 343.358 2.522 20 5 EFBDMN CC(C)C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000342661072 145168299 /nfs/dbraw/zinc/16/82/99/145168299.db2.gz NGIBANWAOKAODA-AWEZNQCLSA-N 0 1 331.416 2.852 20 5 EFBDMN Cc1nn(C(C)C)cc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343547428 145235055 /nfs/dbraw/zinc/23/50/55/145235055.db2.gz JFRUAUZGBAPSFQ-HNNXBMFYSA-N 0 1 344.419 2.762 20 5 EFBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343565635 145240142 /nfs/dbraw/zinc/24/01/42/145240142.db2.gz RYBUIYJIJYCBIQ-HUBLWGQQSA-N 0 1 337.445 2.674 20 5 EFBDMN O=C1NC[C@@H]2[C@H]1CCCN2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000343622022 145254863 /nfs/dbraw/zinc/25/48/63/145254863.db2.gz MYBHDFWEOBWYTE-HZPDHXFCSA-N 0 1 341.367 2.565 20 5 EFBDMN O=C1NC[C@@H]2[C@H]1CCCN2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000343629812 145257186 /nfs/dbraw/zinc/25/71/86/145257186.db2.gz YPODFPCHJGSZNV-GDBMZVCRSA-N 0 1 341.367 2.565 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](C2CC2)C1 ZINC000344004052 145343443 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326.784 2.805 20 5 EFBDMN O=C(CCc1cnc[nH]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000356187454 147171192 /nfs/dbraw/zinc/17/11/92/147171192.db2.gz CVMWOZGHALRKKA-OAHLLOKOSA-N 0 1 332.385 2.525 20 5 EFBDMN O=C(CCc1cnc[nH]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000356187453 147171249 /nfs/dbraw/zinc/17/12/49/147171249.db2.gz CVMWOZGHALRKKA-HNNXBMFYSA-N 0 1 332.385 2.525 20 5 EFBDMN O=C(Nc1ccccc1N1CCCC1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356359551 147224091 /nfs/dbraw/zinc/22/40/91/147224091.db2.gz KYWVWPFATDZUNS-UHFFFAOYSA-N 0 1 341.323 2.680 20 5 EFBDMN Cc1ccccc1OCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356505471 147263031 /nfs/dbraw/zinc/26/30/31/147263031.db2.gz OTNZGFFRTWTKQK-UHFFFAOYSA-N 0 1 330.340 2.808 20 5 EFBDMN O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356545856 147272818 /nfs/dbraw/zinc/27/28/18/147272818.db2.gz HLKLXBOOSGEOMT-CQSZACIVSA-N 0 1 332.287 2.693 20 5 EFBDMN COc1cc(Cl)ccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356558467 147276897 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CSc1cccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1[N+](=O)[O-] ZINC000364505208 149170085 /nfs/dbraw/zinc/17/00/85/149170085.db2.gz NNVDNNYYCXYWRV-LLVKDONJSA-N 0 1 332.385 2.847 20 5 EFBDMN COc1cc(CN2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])cc1F ZINC000368367889 150103495 /nfs/dbraw/zinc/10/34/95/150103495.db2.gz WHWMWRFPIJUJOK-GFCCVEGCSA-N 0 1 348.378 2.856 20 5 EFBDMN Cc1c([C@H](C)N[C@@H]2CCCc3c2cnn3CCO)cccc1[N+](=O)[O-] ZINC000368564810 150150164 /nfs/dbraw/zinc/15/01/64/150150164.db2.gz WAEMYLHTURYNSR-XJKSGUPXSA-N 0 1 344.415 2.820 20 5 EFBDMN Cc1c([C@H](C)N[C@H]2CCCc3c2cnn3CCO)cccc1[N+](=O)[O-] ZINC000368564807 150150215 /nfs/dbraw/zinc/15/02/15/150150215.db2.gz WAEMYLHTURYNSR-BBRMVZONSA-N 0 1 344.415 2.820 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3CCO[C@H]3C3CC3)co2)cc1 ZINC000368903382 150232889 /nfs/dbraw/zinc/23/28/89/150232889.db2.gz GJXDLPHJZNEHBZ-CVEARBPZSA-N 0 1 329.356 2.907 20 5 EFBDMN CO[C@]1(C)CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000373647575 151204513 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EFBDMN C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2(CCCCC2)C1 ZINC000408345642 152178403 /nfs/dbraw/zinc/17/84/03/152178403.db2.gz CMVYMYCWLVCWAO-UHFFFAOYSA-N 0 1 343.431 2.921 20 5 EFBDMN O=C(Nc1ccc(-c2nnc[nH]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000344286461 164581013 /nfs/dbraw/zinc/58/10/13/164581013.db2.gz LFLHHZIYGLPZEE-UHFFFAOYSA-N 0 1 327.275 2.771 20 5 EFBDMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160037049 225324279 /nfs/dbraw/zinc/32/42/79/225324279.db2.gz DSPWVWSVPJQJRL-ZDUSSCGKSA-N 0 1 335.404 2.685 20 5 EFBDMN CCCCNC(=O)C1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000051182884 292635723 /nfs/dbraw/zinc/63/57/23/292635723.db2.gz QLHBRROTNSXHEH-UHFFFAOYSA-N 0 1 349.431 2.732 20 5 EFBDMN Cc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000027675070 272963277 /nfs/dbraw/zinc/96/32/77/272963277.db2.gz UIIYVAQEHSOSPH-CQSZACIVSA-N 0 1 333.413 2.997 20 5 EFBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1nc2ccc(F)cc2[nH]1 ZINC000087421172 264646999 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CCc1cc(N[C@H](C)c2nnc[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272258643 266207071 /nfs/dbraw/zinc/20/70/71/266207071.db2.gz UTULEQVVYFJUGY-SNVBAGLBSA-N 0 1 339.359 2.905 20 5 EFBDMN CC[C@H](C)Oc1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccn1 ZINC000272485740 266280371 /nfs/dbraw/zinc/28/03/71/266280371.db2.gz BPYNWOYVVZQRSH-NSHDSACASA-N 0 1 345.355 2.803 20 5 EFBDMN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000272495159 266283694 /nfs/dbraw/zinc/28/36/94/266283694.db2.gz OOQXAKXYSFLUKT-NSHDSACASA-N 0 1 342.277 2.611 20 5 EFBDMN CN1CC[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@@H]2C1 ZINC000272579111 266314785 /nfs/dbraw/zinc/31/47/85/266314785.db2.gz GOCWKZPHDWLEGK-BXUZGUMPSA-N 0 1 345.424 2.976 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N(C)C[C@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000272595878 266319402 /nfs/dbraw/zinc/31/94/02/266319402.db2.gz UMHBKFLPQSCGJX-VBQJREDUSA-N 0 1 349.431 2.713 20 5 EFBDMN CC(C)(C)Oc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000272599833 266321085 /nfs/dbraw/zinc/32/10/85/266321085.db2.gz UFBHYKBZMYUVLI-UHFFFAOYSA-N 0 1 345.355 2.803 20 5 EFBDMN CN1CC[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000272643502 266337471 /nfs/dbraw/zinc/33/74/71/266337471.db2.gz OSKRXUIDKMMIRE-RISCZKNCSA-N 0 1 329.356 2.507 20 5 EFBDMN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272659963 266343940 /nfs/dbraw/zinc/34/39/40/266343940.db2.gz HCWVWRWIHLKOSO-INIZCTEOSA-N 0 1 344.367 2.714 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000272676442 266348329 /nfs/dbraw/zinc/34/83/29/266348329.db2.gz MFKDZWHECDYVIR-INIZCTEOSA-N 0 1 346.339 2.715 20 5 EFBDMN C[C@H](O)C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000272693246 266353355 /nfs/dbraw/zinc/35/33/55/266353355.db2.gz RAAUXSNNRMVVHE-WFASDCNBSA-N 0 1 344.367 2.585 20 5 EFBDMN Cn1nc(C2CCCC2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272819029 266390457 /nfs/dbraw/zinc/39/04/57/266390457.db2.gz DTRXJUZCALKQSR-UHFFFAOYSA-N 0 1 330.344 2.944 20 5 EFBDMN COc1cccc2c1CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C2 ZINC000272824043 266391251 /nfs/dbraw/zinc/39/12/51/266391251.db2.gz KQJJEQCHOCBXSZ-UHFFFAOYSA-N 0 1 344.371 2.648 20 5 EFBDMN Cc1cc(N2CCC[C@@H](CC(N)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272827255 266393483 /nfs/dbraw/zinc/39/34/83/266393483.db2.gz KHZJUPOTAAJDOW-LBPRGKRZSA-N 0 1 328.372 2.543 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)n[nH]1 ZINC000277176566 267125345 /nfs/dbraw/zinc/12/53/45/267125345.db2.gz RXMANOIVSIMBGI-NXEZZACHSA-N 0 1 347.375 2.726 20 5 EFBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])n[nH]1 ZINC000277456828 267183531 /nfs/dbraw/zinc/18/35/31/267183531.db2.gz PYPBXPUCEUYCCD-VHSXEESVSA-N 0 1 346.391 2.759 20 5 EFBDMN CCC[C@@]1(CO)CCCN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000277772388 267259714 /nfs/dbraw/zinc/25/97/14/267259714.db2.gz NDNJEBPKFFUINX-INIZCTEOSA-N 0 1 326.368 2.870 20 5 EFBDMN CCC[C@]1(CO)CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000277821242 267272601 /nfs/dbraw/zinc/27/26/01/267272601.db2.gz QXODHVGIPAUSLQ-QGZVFWFLSA-N 0 1 346.387 2.772 20 5 EFBDMN CCc1[nH]nc(C(=O)N(CCOC)[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000278095994 267341323 /nfs/dbraw/zinc/34/13/23/267341323.db2.gz YLDMEWMMRCHLSP-LBPRGKRZSA-N 0 1 346.387 2.730 20 5 EFBDMN COC(=O)[C@@]1(C)CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000177427312 273037106 /nfs/dbraw/zinc/03/71/06/273037106.db2.gz JSVOLZWIUJTQBT-KRWDZBQOSA-N 0 1 336.388 2.767 20 5 EFBDMN CCO[C@H]1C[C@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1(C)C ZINC000269481725 273081270 /nfs/dbraw/zinc/08/12/70/273081270.db2.gz KMTGXNFMWYSCNJ-QWRGUYRKSA-N 0 1 338.408 2.717 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000271128326 273100186 /nfs/dbraw/zinc/10/01/86/273100186.db2.gz MIUABIXDDAQXKK-QMMMGPOBSA-N 0 1 337.767 2.981 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000277076302 273145872 /nfs/dbraw/zinc/14/58/72/273145872.db2.gz LTOYXTJEBHRDMK-AWEZNQCLSA-N 0 1 349.412 2.698 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000277076306 273145995 /nfs/dbraw/zinc/14/59/95/273145995.db2.gz LTOYXTJEBHRDMK-CQSZACIVSA-N 0 1 349.412 2.698 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])n[nH]1 ZINC000277118723 273147011 /nfs/dbraw/zinc/14/70/11/273147011.db2.gz SJNKMUJJMCSTDG-IUCAKERBSA-N 0 1 335.339 2.857 20 5 EFBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])n[nH]1 ZINC000277118713 273147014 /nfs/dbraw/zinc/14/70/14/273147014.db2.gz SJNKMUJJMCSTDG-BDAKNGLRSA-N 0 1 335.339 2.857 20 5 EFBDMN Cc1[nH]nc(C(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000279095030 273176098 /nfs/dbraw/zinc/17/60/98/273176098.db2.gz UQWSFQJKJVMABZ-SMDDNHRTSA-N 0 1 328.372 2.953 20 5 EFBDMN CC1(C)C[C@H](NCC(=O)NCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000279103750 273177187 /nfs/dbraw/zinc/17/71/87/273177187.db2.gz OOCBDICWGNJWGN-LBPRGKRZSA-N 0 1 345.321 2.585 20 5 EFBDMN C[C@H](N[C@H]1CCC[C@@H]1CCO)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279219812 273189862 /nfs/dbraw/zinc/18/98/62/273189862.db2.gz HWLHHBYLNQPPEN-ZOWXZIJZSA-N 0 1 346.387 2.847 20 5 EFBDMN Cc1c(NC(=O)CCN2C[C@@H](C)O[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279228910 273190705 /nfs/dbraw/zinc/19/07/05/273190705.db2.gz DODGXWITBBSXKX-SJKOYZFVSA-N 0 1 347.415 2.731 20 5 EFBDMN CC1(C)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000279396701 273210809 /nfs/dbraw/zinc/21/08/09/273210809.db2.gz VSPZRIDXQUYESE-UHFFFAOYSA-N 0 1 334.401 2.829 20 5 EFBDMN C[C@@]1(O)CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000279869695 273262817 /nfs/dbraw/zinc/26/28/17/273262817.db2.gz BZGWRTDORXMEKW-QGZVFWFLSA-N 0 1 331.372 2.987 20 5 EFBDMN CO[C@@]1(C)CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000279890839 273265784 /nfs/dbraw/zinc/26/57/84/273265784.db2.gz FTJCPHNPQCGDJC-INIZCTEOSA-N 0 1 332.360 2.502 20 5 EFBDMN CO[C@@]1(C)CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000280270360 273309782 /nfs/dbraw/zinc/30/97/82/273309782.db2.gz CSZLTLJZWWSBGC-KRWDZBQOSA-N 0 1 335.404 2.733 20 5 EFBDMN O=C(NCCN1CC=CCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000280272995 273310031 /nfs/dbraw/zinc/31/00/31/273310031.db2.gz POVNREXOZRXNCZ-UHFFFAOYSA-N 0 1 343.305 2.605 20 5 EFBDMN CO[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280536576 273338312 /nfs/dbraw/zinc/33/83/12/273338312.db2.gz PKJBSBGRTAQIMK-GUYCJALGSA-N 0 1 335.404 2.813 20 5 EFBDMN COC[C@H]1CCCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000342747928 274052147 /nfs/dbraw/zinc/05/21/47/274052147.db2.gz MKDNQUFVMHPKFQ-AWEZNQCLSA-N 0 1 335.404 2.590 20 5 EFBDMN C[C@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000285835852 274084313 /nfs/dbraw/zinc/08/43/13/274084313.db2.gz XZZOWGRMTQWEOR-SMDDNHRTSA-N 0 1 347.337 2.509 20 5 EFBDMN C[C@]12CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]1C2(Cl)Cl ZINC000286069557 274127213 /nfs/dbraw/zinc/12/72/13/274127213.db2.gz DFAPLPSOAMYMFO-YPMHNXCESA-N 0 1 345.182 2.956 20 5 EFBDMN Nc1ccc(N2CCN(CCc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000286220881 274156496 /nfs/dbraw/zinc/15/64/96/274156496.db2.gz GWIDYNGAHYHSOQ-UHFFFAOYSA-N 0 1 332.429 2.603 20 5 EFBDMN Cc1nc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000286542188 274221534 /nfs/dbraw/zinc/22/15/34/274221534.db2.gz ZJBXFXBSFXSJQH-SECBINFHSA-N 0 1 331.376 2.810 20 5 EFBDMN C[C@@H](CO)N1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000343209729 274227249 /nfs/dbraw/zinc/22/72/49/274227249.db2.gz WRSPWKRYNWJLBH-JTQLQIEISA-N 0 1 348.230 2.795 20 5 EFBDMN C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000286671992 274247785 /nfs/dbraw/zinc/24/77/85/274247785.db2.gz PMCUIQXPNBVJLT-OAHLLOKOSA-N 0 1 348.447 2.511 20 5 EFBDMN C[N@H+]1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000286831801 274282165 /nfs/dbraw/zinc/28/21/65/274282165.db2.gz YGNOQEIAYNERBP-INIZCTEOSA-N 0 1 326.400 2.540 20 5 EFBDMN CN1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000286831801 274282167 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COc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000187072278 277372980 /nfs/dbraw/zinc/37/29/80/277372980.db2.gz GIUQDJRLLBQHMQ-UHFFFAOYSA-N 0 1 340.332 2.852 20 5 EFBDMN CCN(CC(=O)N1CCCCCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339195159 279049262 /nfs/dbraw/zinc/04/92/62/279049262.db2.gz JJPKXAGDYFQMHM-UHFFFAOYSA-N 0 1 335.404 2.525 20 5 EFBDMN Cc1cc(-c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000347346695 280288219 /nfs/dbraw/zinc/28/82/19/280288219.db2.gz XQRHPILIIOPYKT-RHSMWYFYSA-N 0 1 344.371 2.879 20 5 EFBDMN Cc1ccc2c(c1)[C@@H](NC(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)CO2 ZINC000156222836 281090435 /nfs/dbraw/zinc/09/04/35/281090435.db2.gz CPGSEPPHPTZGKQ-AWEZNQCLSA-N 0 1 338.323 2.643 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1N1CCC(CCN2CCOCC2)CC1 ZINC000350730401 281258573 /nfs/dbraw/zinc/25/85/73/281258573.db2.gz SXDSRNYEEMILSN-UHFFFAOYSA-N 0 1 333.432 2.842 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2ccsc2C1 ZINC000130293012 293160522 /nfs/dbraw/zinc/16/05/22/293160522.db2.gz WZECEIKJKMZAIT-UHFFFAOYSA-N 0 1 328.353 2.731 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(O)c2F)c1C ZINC000131526714 293199596 /nfs/dbraw/zinc/19/95/96/293199596.db2.gz QKXOFJMZVWNCJQ-UHFFFAOYSA-N 0 1 340.332 2.857 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000131785178 293208052 /nfs/dbraw/zinc/20/80/52/293208052.db2.gz CGAYPCLHKYSDOW-MRXNPFEDSA-N 0 1 349.337 2.906 20 5 EFBDMN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132727995 293236050 /nfs/dbraw/zinc/23/60/50/293236050.db2.gz DENBTRLUXGLPRP-SSDOTTSWSA-N 0 1 343.170 2.986 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)CN(C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000132935834 293242253 /nfs/dbraw/zinc/24/22/53/293242253.db2.gz IQUPVQZDPYLYQI-TZMCWYRMSA-N 0 1 337.445 2.518 20 5 EFBDMN O=C(Nc1nnc(CC2CCCCC2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000152411803 293332067 /nfs/dbraw/zinc/33/20/67/293332067.db2.gz JJWORRLMLDJZKP-UHFFFAOYSA-N 0 1 336.377 2.545 20 5 EFBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2[nH]nnc2c1 ZINC000153242053 293367711 /nfs/dbraw/zinc/36/77/11/293367711.db2.gz MVPHDTKVQNBVJZ-QHHAFSJGSA-N 0 1 327.275 2.657 20 5 EFBDMN CN(C)Cc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000154617159 293433302 /nfs/dbraw/zinc/43/33/02/293433302.db2.gz QLUFBNARYGTNHU-UHFFFAOYSA-N 0 1 331.347 2.726 20 5 EFBDMN CCC[C@H](NCCS(=O)(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000290415788 294081157 /nfs/dbraw/zinc/08/11/57/294081157.db2.gz ULCUGOJTIYJPDQ-HNNXBMFYSA-N 0 1 328.434 2.849 20 5 EFBDMN COC(=O)c1cc(CN(C)CCc2ccccc2[N+](=O)[O-])n(C)c1C ZINC000291008150 294245377 /nfs/dbraw/zinc/24/53/77/294245377.db2.gz DMEWUQQPQAVBKX-UHFFFAOYSA-N 0 1 345.399 2.703 20 5 EFBDMN CCN(C[C@H](C)OC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000291366253 294360234 /nfs/dbraw/zinc/36/02/34/294360234.db2.gz ZJARRHRPMIYOBP-WDEREUQCSA-N 0 1 343.811 2.932 20 5 EFBDMN COC(=O)[C@H](C)CN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293582684 295005065 /nfs/dbraw/zinc/00/50/65/295005065.db2.gz TXDDFUUSQOJPRE-SECBINFHSA-N 0 1 334.294 2.855 20 5 EFBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000293641269 295017610 /nfs/dbraw/zinc/01/76/10/295017610.db2.gz MEWQQEXYKCGYBQ-ZCFIWIBFSA-N 0 1 343.265 2.531 20 5 EFBDMN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000293948350 295084797 /nfs/dbraw/zinc/08/47/97/295084797.db2.gz IPQKPJDGJGSKHX-HNNXBMFYSA-N 0 1 329.400 2.709 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000294066028 295105680 /nfs/dbraw/zinc/10/56/80/295105680.db2.gz HJKGKPDYUOBZTK-HNNXBMFYSA-N 0 1 326.356 2.994 20 5 EFBDMN CC(C)(CCC(=O)NC[C@H](c1ccco1)N1CCCCC1)[N+](=O)[O-] ZINC000294286336 295141594 /nfs/dbraw/zinc/14/15/94/295141594.db2.gz HRGZRAAOVRCASP-CQSZACIVSA-N 0 1 337.420 2.758 20 5 EFBDMN O=C(Nc1nnc(C2CCOCC2)s1)c1ccc([N+](=O)[O-])s1 ZINC000294451212 295169102 /nfs/dbraw/zinc/16/91/02/295169102.db2.gz VWKBZXCEZRJSQI-UHFFFAOYSA-N 0 1 340.386 2.654 20 5 EFBDMN CC[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H](C)O1 ZINC000294496470 295176007 /nfs/dbraw/zinc/17/60/07/295176007.db2.gz FIPJLOBBRCHFGP-BXUZGUMPSA-N 0 1 344.371 2.624 20 5 EFBDMN CC(C)(C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)C(N)=O ZINC000294856613 295237285 /nfs/dbraw/zinc/23/72/85/295237285.db2.gz SRDCUHFTHYYZGC-LBPRGKRZSA-N 0 1 337.395 2.848 20 5 EFBDMN CC(C)(C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1)C(N)=O ZINC000294856613 295237286 /nfs/dbraw/zinc/23/72/86/295237286.db2.gz SRDCUHFTHYYZGC-LBPRGKRZSA-N 0 1 337.395 2.848 20 5 EFBDMN O=[N+]([O-])c1cc(Br)ccc1NCc1n[nH]c(C2CC2)n1 ZINC000294858683 295237592 /nfs/dbraw/zinc/23/75/92/295237592.db2.gz BWPHEOPHKVBVOJ-UHFFFAOYSA-N 0 1 338.165 2.965 20 5 EFBDMN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCc1n[nH]c(C2CC2)n1 ZINC000295010754 295257459 /nfs/dbraw/zinc/25/74/59/295257459.db2.gz SLUWXOXFESBDAK-UHFFFAOYSA-N 0 1 340.343 2.759 20 5 EFBDMN Cc1nc2c(n1[C@@H]1CCN(c3ncc([N+](=O)[O-])c(C)n3)C1)CCCC2 ZINC000295023173 295258666 /nfs/dbraw/zinc/25/86/66/295258666.db2.gz MINMCKZZDUVMGF-CYBMUJFWSA-N 0 1 342.403 2.528 20 5 EFBDMN COc1c(C)cnc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000295101008 295268471 /nfs/dbraw/zinc/26/84/71/295268471.db2.gz GKAGAVQHCPKDDE-KRWDZBQOSA-N 0 1 345.399 2.781 20 5 EFBDMN CC[C@]1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCO1 ZINC000295227908 295285359 /nfs/dbraw/zinc/28/53/59/295285359.db2.gz NYRDUIFBRSMIGT-QGZVFWFLSA-N 0 1 344.371 2.626 20 5 EFBDMN Cc1nc([C@H](C)NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000295703968 295363360 /nfs/dbraw/zinc/36/33/60/295363360.db2.gz KEMSYGBHQNWYSL-LURJTMIESA-N 0 1 343.265 2.531 20 5 EFBDMN Cc1nc([C@@H](C)NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000295703969 295363512 /nfs/dbraw/zinc/36/35/12/295363512.db2.gz KEMSYGBHQNWYSL-ZCFIWIBFSA-N 0 1 343.265 2.531 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1F ZINC000416596132 304805497 /nfs/dbraw/zinc/80/54/97/304805497.db2.gz RIDDSFDTKQRQRU-NXEZZACHSA-N 0 1 336.772 2.807 20 5 EFBDMN C[C@@H](NCC(=O)NC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180447821 310799432 /nfs/dbraw/zinc/79/94/32/310799432.db2.gz YVECSEMLEUIYSB-GFCCVEGCSA-N 0 1 342.355 2.594 20 5 EFBDMN Cc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000298754464 311020932 /nfs/dbraw/zinc/02/09/32/311020932.db2.gz WAAIRUMGFRVQSX-AWEZNQCLSA-N 0 1 349.412 2.648 20 5 EFBDMN CC[C@H]1CO[C@H](C)CN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000299209769 311061788 /nfs/dbraw/zinc/06/17/88/311061788.db2.gz BLGRPKWCWZGJMC-OCCSQVGLSA-N 0 1 335.404 2.731 20 5 EFBDMN Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000299448339 311086072 /nfs/dbraw/zinc/08/60/72/311086072.db2.gz GKWOSCOIZZPABS-UHFFFAOYSA-N 0 1 343.387 2.547 20 5 EFBDMN C[C@@H](CN1CCN(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000301304150 311130483 /nfs/dbraw/zinc/13/04/83/311130483.db2.gz XDTDHTWGPCJKLA-HNNXBMFYSA-N 0 1 341.415 2.612 20 5 EFBDMN Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301597092 311146910 /nfs/dbraw/zinc/14/69/10/311146910.db2.gz ZOZJYKFQGPJSHX-ZDUSSCGKSA-N 0 1 339.823 2.715 20 5 EFBDMN CC(C)CN1CCO[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301799602 311159116 /nfs/dbraw/zinc/15/91/16/311159116.db2.gz SGACONQRTBEGJG-LBPRGKRZSA-N 0 1 329.347 2.642 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000302039507 311173937 /nfs/dbraw/zinc/17/39/37/311173937.db2.gz QXMWDICNHGSYLB-UHFFFAOYSA-N 0 1 333.432 2.924 20 5 EFBDMN O=[N+]([O-])c1cnc(Sc2nc(-c3ccc4c(c3)CCC4)n[nH]2)nc1 ZINC000302147978 311180545 /nfs/dbraw/zinc/18/05/45/311180545.db2.gz JABMLLUMKPGYSS-UHFFFAOYSA-N 0 1 340.368 2.810 20 5 EFBDMN C[C@@H](O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302434748 311189885 /nfs/dbraw/zinc/18/98/85/311189885.db2.gz LYYDDLZOLCUSGQ-WDEREUQCSA-N 0 1 347.337 2.505 20 5 EFBDMN C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000302470480 311190769 /nfs/dbraw/zinc/19/07/69/311190769.db2.gz CSTYFPRSOHEAMX-LLVKDONJSA-N 0 1 327.812 2.530 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000302545095 311192740 /nfs/dbraw/zinc/19/27/40/311192740.db2.gz UPAODMUCJGBFBS-BZUAXINKSA-N 0 1 333.432 2.981 20 5 EFBDMN Cc1cc(C(=O)N2CCNC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000313370480 311232166 /nfs/dbraw/zinc/23/21/66/311232166.db2.gz GOCRKGHMXHWTRA-KRWDZBQOSA-N 0 1 325.368 2.690 20 5 EFBDMN C[C@H](NCc1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000320383139 311237785 /nfs/dbraw/zinc/23/77/85/311237785.db2.gz LFSAWOGGGUFSQO-LBPRGKRZSA-N 0 1 334.397 2.849 20 5 EFBDMN CCN1C[C@@H](C)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000330573776 311322391 /nfs/dbraw/zinc/32/23/91/311322391.db2.gz NOFJQHDMXFCJRT-QWHCGFSZSA-N 0 1 345.403 2.559 20 5 EFBDMN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CN1C ZINC000330583434 311322889 /nfs/dbraw/zinc/32/28/89/311322889.db2.gz KHZMPXBRITZWFZ-OLZOCXBDSA-N 0 1 330.388 2.774 20 5 EFBDMN CCN1C[C@@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C1 ZINC000330813859 311336660 /nfs/dbraw/zinc/33/66/60/311336660.db2.gz FOKJKTMIKVWYLH-CHWSQXEVSA-N 0 1 345.403 2.559 20 5 EFBDMN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000331270452 311364221 /nfs/dbraw/zinc/36/42/21/311364221.db2.gz ANNZPXKRPXYMJC-XUJVJEKNSA-N 0 1 346.387 2.626 20 5 EFBDMN Cc1csc([C@@H]2COCCN2Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000331988714 311441803 /nfs/dbraw/zinc/44/18/03/311441803.db2.gz UNTSIPPXWUVJAI-AWEZNQCLSA-N 0 1 335.385 2.639 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2nccs2)CC1 ZINC000332440413 311505078 /nfs/dbraw/zinc/50/50/78/311505078.db2.gz IRQUQVRMENPKIP-UHFFFAOYSA-N 0 1 333.369 2.777 20 5 EFBDMN Cc1c(Br)c(N(C)C[C@@H]2CCCN2C)ncc1[N+](=O)[O-] ZINC000420641060 312377892 /nfs/dbraw/zinc/37/78/92/312377892.db2.gz UHPSAGBIUSPMKO-JTQLQIEISA-N 0 1 343.225 2.591 20 5 EFBDMN O=[N+]([O-])c1cccnc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000453575018 312910887 /nfs/dbraw/zinc/91/08/87/312910887.db2.gz KCBMNANHRODHIF-IAGOWNOFSA-N 0 1 338.411 2.916 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CCO2 ZINC000478683338 313254279 /nfs/dbraw/zinc/25/42/79/313254279.db2.gz YQLSWOMCMLIBPM-UHFFFAOYSA-N 0 1 348.380 2.893 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)N2CCN(C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486472637 313338300 /nfs/dbraw/zinc/33/83/00/313338300.db2.gz UBMJJJWNKGVECX-PBHICJAKSA-N 0 1 348.447 2.946 20 5 EFBDMN CC(C)[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCN1C ZINC000487094974 313365451 /nfs/dbraw/zinc/36/54/51/313365451.db2.gz CCWDURQFVJLKPJ-LBPRGKRZSA-N 0 1 343.225 2.529 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000487160386 313371341 /nfs/dbraw/zinc/37/13/41/313371341.db2.gz XZBCFXOGUIFIMG-CZUORRHYSA-N 0 1 334.420 2.637 20 5 EFBDMN NC(=O)OC[C@@H](Cc1ccccc1)NCc1csc([N+](=O)[O-])c1 ZINC000496655024 315145804 /nfs/dbraw/zinc/14/58/04/315145804.db2.gz MIPSFLQCEJMLCE-CYBMUJFWSA-N 0 1 335.385 2.867 20 5 EFBDMN CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC000496716882 315169643 /nfs/dbraw/zinc/16/96/43/315169643.db2.gz GLQQRFCCBSSRIB-ZIAGYGMSSA-N 0 1 347.371 2.541 20 5 EFBDMN CC(C)(C)OC(=O)Nc1cccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000496752231 315182566 /nfs/dbraw/zinc/18/25/66/315182566.db2.gz JTVFGPJFBXSDBH-CHWSQXEVSA-N 0 1 336.344 2.742 20 5 EFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000515531764 315625568 /nfs/dbraw/zinc/62/55/68/315625568.db2.gz VEMFCOPUWOPRMC-MLGOLLRUSA-N 0 1 331.416 2.892 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@H](F)C1 ZINC000517561496 315768209 /nfs/dbraw/zinc/76/82/09/315768209.db2.gz CLOBUAVMDSCRQX-IUCAKERBSA-N 0 1 336.772 2.807 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4c(c3)CCC4)CC2)cn1 ZINC000522444282 316091226 /nfs/dbraw/zinc/09/12/26/316091226.db2.gz MBPBWSRWJQCUCT-UHFFFAOYSA-N 0 1 338.411 2.801 20 5 EFBDMN COc1ccc(CN(Cc2ccccc2)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000524971301 316183446 /nfs/dbraw/zinc/18/34/46/316183446.db2.gz KPXVXIDPXHYNLH-AWEZNQCLSA-N 0 1 330.384 2.986 20 5 EFBDMN CC(C)OC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000525598982 316221684 /nfs/dbraw/zinc/22/16/84/316221684.db2.gz RHEOVQIFCIYRIQ-UHFFFAOYSA-N 0 1 332.360 2.501 20 5 EFBDMN COc1ccc(CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000530626439 317157296 /nfs/dbraw/zinc/15/72/96/317157296.db2.gz FGTARLFDIPELND-UHFFFAOYSA-N 0 1 341.411 2.968 20 5 EFBDMN CNc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000530643198 317159114 /nfs/dbraw/zinc/15/91/14/317159114.db2.gz YWOHSTWFFDLNHZ-UHFFFAOYSA-N 0 1 343.318 2.582 20 5 EFBDMN COc1cccc(C[C@H]2CCCN2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000530865683 317188759 /nfs/dbraw/zinc/18/87/59/317188759.db2.gz MQKYDSHUPCEWHY-CQSZACIVSA-N 0 1 330.388 2.544 20 5 EFBDMN COc1ccc(OCCN2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000530925375 317197176 /nfs/dbraw/zinc/19/71/76/317197176.db2.gz UZFYSBZNHLEETM-UHFFFAOYSA-N 0 1 338.404 2.872 20 5 EFBDMN CCn1cc(S(=O)(=O)Nc2cccc(C)c2Cl)c([N+](=O)[O-])n1 ZINC000535991657 317618516 /nfs/dbraw/zinc/61/85/16/317618516.db2.gz UMDUSVODXUIPAC-UHFFFAOYSA-N 0 1 344.780 2.574 20 5 EFBDMN Cc1ccc2nc(CNCCOc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000551538140 318209756 /nfs/dbraw/zinc/20/97/56/318209756.db2.gz QNIZNQHKUBYCFV-UHFFFAOYSA-N 0 1 326.356 2.720 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCNCc2nccn2-c2ccccc2)cc1 ZINC000558757168 318491290 /nfs/dbraw/zinc/49/12/90/318491290.db2.gz YVCUNZKWYIXGTL-UHFFFAOYSA-N 0 1 338.367 2.949 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H](N2CCOCC2)CC1 ZINC000564469410 318865218 /nfs/dbraw/zinc/86/52/18/318865218.db2.gz DYNGCGXCVXEPRE-AWEZNQCLSA-N 0 1 339.823 2.939 20 5 EFBDMN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000565217511 318947993 /nfs/dbraw/zinc/94/79/93/318947993.db2.gz LZWOEVSQWVCESN-CXAGYDPISA-N 0 1 339.395 2.877 20 5 EFBDMN C[N@@H+](CCOc1ccccc1C(=O)[O-])CCc1cccc([N+](=O)[O-])c1 ZINC000566361185 319066754 /nfs/dbraw/zinc/06/67/54/319066754.db2.gz GXERGUUUHNNJTG-UHFFFAOYSA-N 0 1 344.367 2.846 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)c1[N+](=O)[O-] ZINC000567113451 319140149 /nfs/dbraw/zinc/14/01/49/319140149.db2.gz NUGROIYOHCMYAJ-VIFPVBQESA-N 0 1 332.335 2.779 20 5 EFBDMN CCc1nc(C)c(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000567697167 319199546 /nfs/dbraw/zinc/19/95/46/319199546.db2.gz QMZAMJCCIIPITL-UHFFFAOYSA-N 0 1 332.360 2.572 20 5 EFBDMN COc1cc(CN[C@@H]2CO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000567905252 319224548 /nfs/dbraw/zinc/22/45/48/319224548.db2.gz NRIUUDKGPQOAKM-KOLCDFICSA-N 0 1 346.330 2.514 20 5 EFBDMN CC[N@@H+](CCC(=O)[O-])Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000568521134 319292211 /nfs/dbraw/zinc/29/22/11/319292211.db2.gz SEGMPZHZSWUWRP-UHFFFAOYSA-N 0 1 348.302 2.501 20 5 EFBDMN C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000568772130 319317819 /nfs/dbraw/zinc/31/78/19/319317819.db2.gz MDVXHLKZXQRIFI-QGZVFWFLSA-N 0 1 344.367 2.601 20 5 EFBDMN CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCC(C(=O)[O-])CC1 ZINC000568883873 319328153 /nfs/dbraw/zinc/32/81/53/319328153.db2.gz WVOOEHIAPMTCRZ-UHFFFAOYSA-N 0 1 336.388 2.939 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2ccncc2)C1 ZINC000569107447 319349150 /nfs/dbraw/zinc/34/91/50/319349150.db2.gz WTNBCNNNRFRASC-CYBMUJFWSA-N 0 1 327.340 2.715 20 5 EFBDMN C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC000577405538 320108131 /nfs/dbraw/zinc/10/81/31/320108131.db2.gz YJHPQPCIFHXGNO-MRXNPFEDSA-N 0 1 344.367 2.601 20 5 EFBDMN CN(C(=O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC000577865701 320152986 /nfs/dbraw/zinc/15/29/86/320152986.db2.gz KMMCCJRFTUIEFR-INIZCTEOSA-N 0 1 331.416 2.963 20 5 EFBDMN Cc1ccc([C@H](C)NCc2cc(=O)n3ccccc3n2)cc1[N+](=O)[O-] ZINC000181820077 323252387 /nfs/dbraw/zinc/25/23/87/323252387.db2.gz KMMXVMXEZFCCOB-ZDUSSCGKSA-N 0 1 338.367 2.762 20 5 EFBDMN CC[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000182326223 323277174 /nfs/dbraw/zinc/27/71/74/323277174.db2.gz JAWUZHSHERDTBI-ZIAGYGMSSA-N 0 1 332.360 2.692 20 5 EFBDMN CCc1nc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000183598843 323343299 /nfs/dbraw/zinc/34/32/99/323343299.db2.gz DSLJFQOLRVWUFG-UHFFFAOYSA-N 0 1 341.780 2.660 20 5 EFBDMN CCc1n[nH]c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000183598843 323343303 /nfs/dbraw/zinc/34/33/03/323343303.db2.gz DSLJFQOLRVWUFG-UHFFFAOYSA-N 0 1 341.780 2.660 20 5 EFBDMN CC1(C)C(=O)N[C@H]1C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000581380047 324365317 /nfs/dbraw/zinc/36/53/17/324365317.db2.gz GFPHXMZCRBCZKE-UABRLCRWSA-N 0 1 343.427 2.845 20 5 EFBDMN CCOC[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000081520799 473213938 /nfs/dbraw/zinc/21/39/38/473213938.db2.gz VFNNZCDCOITMMT-KBPBESRZSA-N 0 1 335.404 2.589 20 5 EFBDMN O=C(N[C@@H]1CCc2c1cccc2O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111605542 473219899 /nfs/dbraw/zinc/21/98/99/473219899.db2.gz LMOBXHLTLACGTM-CYBMUJFWSA-N 0 1 338.323 2.594 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)CCCCc2cn[nH]n2)cc1[N+](=O)[O-] ZINC000139461782 473233349 /nfs/dbraw/zinc/23/33/49/473233349.db2.gz UOTOJKRMKJIFIJ-GFCCVEGCSA-N 0 1 331.376 2.612 20 5 EFBDMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000096004871 473252539 /nfs/dbraw/zinc/25/25/39/473252539.db2.gz BCJFZSZLBWTEFO-CQSZACIVSA-N 0 1 345.359 2.541 20 5 EFBDMN C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000141272972 473252913 /nfs/dbraw/zinc/25/29/13/473252913.db2.gz JBJYFSLRNYECPQ-UHFFFAOYSA-N 0 1 325.368 2.633 20 5 EFBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000141272972 473252914 /nfs/dbraw/zinc/25/29/14/473252914.db2.gz JBJYFSLRNYECPQ-UHFFFAOYSA-N 0 1 325.368 2.633 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](OCCC(C)C)C2)c1[N+](=O)[O-] ZINC000081815521 473258293 /nfs/dbraw/zinc/25/82/93/473258293.db2.gz DAEKJGTZOFELOB-GFCCVEGCSA-N 0 1 338.408 2.548 20 5 EFBDMN CCO[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(CC)CC ZINC000081816908 473259592 /nfs/dbraw/zinc/25/95/92/473259592.db2.gz MPEGQJPQFZYMOT-VXGBXAGGSA-N 0 1 338.408 2.682 20 5 EFBDMN C[C@@H](CNc1ccccc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000161786125 473263765 /nfs/dbraw/zinc/26/37/65/473263765.db2.gz QPZXWWQQISSYPS-NSHDSACASA-N 0 1 339.355 2.702 20 5 EFBDMN CCc1ccc(C(=O)Nc2ccn(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000471922996 467981415 /nfs/dbraw/zinc/98/14/15/467981415.db2.gz WQYZZXMHMFPROB-UHFFFAOYSA-N 0 1 337.339 2.990 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN(CCO)CCc1ccccc1 ZINC000112698786 473296413 /nfs/dbraw/zinc/29/64/13/473296413.db2.gz UBZQSUOMTNLROV-UHFFFAOYSA-N 0 1 330.384 2.640 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3ccco3)s2)c1 ZINC000146210640 473298350 /nfs/dbraw/zinc/29/83/50/473298350.db2.gz PTPAAOQCXFRLIL-UHFFFAOYSA-N 0 1 346.324 2.967 20 5 EFBDMN NC(=O)c1ccc(CN2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000177186967 473327090 /nfs/dbraw/zinc/32/70/90/473327090.db2.gz RUIXTKNUMMHSMQ-ZFWWWQNUSA-N 0 1 335.429 2.554 20 5 EFBDMN COC(=O)[C@@H](C)CN(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162446066 473340483 /nfs/dbraw/zinc/34/04/83/473340483.db2.gz WKFXGTXVIHFLQV-VIFPVBQESA-N 0 1 345.193 2.598 20 5 EFBDMN COC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000112988746 473342842 /nfs/dbraw/zinc/34/28/42/473342842.db2.gz UNDJXWVKOKKOSI-KBPBESRZSA-N 0 1 335.404 2.589 20 5 EFBDMN COc1ccc([C@H](CO)N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000112996557 473345022 /nfs/dbraw/zinc/34/50/22/473345022.db2.gz QVHDRWGTOSEIOJ-KRWDZBQOSA-N 0 1 346.383 2.777 20 5 EFBDMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)ncn3C)ccc1[N+](=O)[O-] ZINC000083577522 473351535 /nfs/dbraw/zinc/35/15/35/473351535.db2.gz OKSZNIDEZNUOTF-UHFFFAOYSA-N 0 1 346.368 2.591 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)ncn2C ZINC000083577520 473352437 /nfs/dbraw/zinc/35/24/37/473352437.db2.gz CSMXERPRUYIOQL-UHFFFAOYSA-N 0 1 346.368 2.591 20 5 EFBDMN Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000162642137 473366969 /nfs/dbraw/zinc/36/69/69/473366969.db2.gz FPRQJOUSFVMKKX-IUODEOHRSA-N 0 1 344.371 2.746 20 5 EFBDMN Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000162642243 473367059 /nfs/dbraw/zinc/36/70/59/473367059.db2.gz FPRQJOUSFVMKKX-DOMZBBRYSA-N 0 1 344.371 2.746 20 5 EFBDMN O=C1CC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000125286365 473387307 /nfs/dbraw/zinc/38/73/07/473387307.db2.gz GFJZDEQRIFAGAZ-ZBFHGGJFSA-N 0 1 329.400 2.570 20 5 EFBDMN CC[C@H](C)N(CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000311528807 474838408 /nfs/dbraw/zinc/83/84/08/474838408.db2.gz AMUGCTGEMJSFAI-JTQLQIEISA-N 0 1 331.210 2.950 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccsc1 ZINC000619783830 479883719 /nfs/dbraw/zinc/88/37/19/479883719.db2.gz ZVUTXBVUMBJXIO-SNVBAGLBSA-N 0 1 335.385 2.954 20 5 EFBDMN CC(C)(NC(=O)[C@@H]1CCCc2[nH]cnc21)c1ccccc1[N+](=O)[O-] ZINC000345812832 475472370 /nfs/dbraw/zinc/47/23/70/475472370.db2.gz ZKXOANRJKKTCRK-LLVKDONJSA-N 0 1 328.372 2.789 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000613235597 479931525 /nfs/dbraw/zinc/93/15/25/479931525.db2.gz FTKKMDXPPXPAPN-GDBMZVCRSA-N 0 1 333.432 2.716 20 5 EFBDMN CCc1nc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000011711285 471758537 /nfs/dbraw/zinc/75/85/37/471758537.db2.gz QLJOLKNBXHGPLJ-UHFFFAOYSA-N 0 1 341.780 2.660 20 5 EFBDMN CCc1n[nH]c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000011711285 471758541 /nfs/dbraw/zinc/75/85/41/471758541.db2.gz QLJOLKNBXHGPLJ-UHFFFAOYSA-N 0 1 341.780 2.660 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000012540410 471779114 /nfs/dbraw/zinc/77/91/14/471779114.db2.gz MTPIYIGGSXXYTK-UHFFFAOYSA-N 0 1 332.341 2.580 20 5 EFBDMN O=C(Nc1nc2ccccc2[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000017303775 471960261 /nfs/dbraw/zinc/96/02/61/471960261.db2.gz DNUAVIOOLYNRDE-UHFFFAOYSA-N 0 1 337.339 2.720 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000067129543 471995400 /nfs/dbraw/zinc/99/54/00/471995400.db2.gz BJMXFVXWCXDQBJ-CQSZACIVSA-N 0 1 333.413 2.997 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000067160992 472000552 /nfs/dbraw/zinc/00/05/52/472000552.db2.gz WEAXZFHHPLLFSI-HNNXBMFYSA-N 0 1 333.413 2.997 20 5 EFBDMN CNC(=O)c1ccc(NC[C@H](c2ccsc2)N(C)C)c([N+](=O)[O-])c1 ZINC000053558071 472019363 /nfs/dbraw/zinc/01/93/63/472019363.db2.gz OTKBQBIWAQMHJD-OAHLLOKOSA-N 0 1 348.428 2.731 20 5 EFBDMN Cc1noc(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000053618412 472023832 /nfs/dbraw/zinc/02/38/32/472023832.db2.gz MVLLLBASTLLTJQ-UHFFFAOYSA-N 0 1 332.360 2.545 20 5 EFBDMN CN(Cc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000067366511 472024024 /nfs/dbraw/zinc/02/40/24/472024024.db2.gz XJAXTQFSRHYUKB-TZMCWYRMSA-N 0 1 349.387 2.657 20 5 EFBDMN O=[N+]([O-])c1ccc(NCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000024107991 472047567 /nfs/dbraw/zinc/04/75/67/472047567.db2.gz ZNSUHUVUJWFJTD-UHFFFAOYSA-N 0 1 340.427 2.825 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000067547243 472047990 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C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000178296533 473485149 /nfs/dbraw/zinc/48/51/49/473485149.db2.gz VFNNTIJPWZEJEU-CYBMUJFWSA-N 0 1 348.424 2.990 20 5 EFBDMN CSCC[C@@H](C)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000126274951 473503923 /nfs/dbraw/zinc/50/39/23/473503923.db2.gz FPTARIVKXJYNTO-GFCCVEGCSA-N 0 1 337.445 2.557 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](C)CCSC ZINC000126464054 473517808 /nfs/dbraw/zinc/51/78/08/473517808.db2.gz CUKKSYDEKMZKRN-LLVKDONJSA-N 0 1 341.433 2.615 20 5 EFBDMN Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000126875934 473554165 /nfs/dbraw/zinc/55/41/65/473554165.db2.gz AREUMXVCAOIEIR-UHFFFAOYSA-N 0 1 337.357 2.878 20 5 EFBDMN CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000170647538 473573509 /nfs/dbraw/zinc/57/35/09/473573509.db2.gz DLKBKMQQPVWQKD-CQSZACIVSA-N 0 1 335.404 2.941 20 5 EFBDMN CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000170648126 473575257 /nfs/dbraw/zinc/57/52/57/473575257.db2.gz YQEPEFAQJVWTIJ-ZDUSSCGKSA-N 0 1 335.404 2.941 20 5 EFBDMN CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000186236282 473624082 /nfs/dbraw/zinc/62/40/82/473624082.db2.gz QPWVZRKOYPMEET-UHFFFAOYSA-N 0 1 349.431 2.885 20 5 EFBDMN Cc1ncsc1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000172527244 473634122 /nfs/dbraw/zinc/63/41/22/473634122.db2.gz IBHKTQLBMPCWND-UHFFFAOYSA-N 0 1 332.429 2.724 20 5 EFBDMN CCc1[nH]nc(C(=O)N(CC)Cc2c(F)cccc2F)c1[N+](=O)[O-] ZINC000179158949 473642513 /nfs/dbraw/zinc/64/25/13/473642513.db2.gz JNMOGBLXUVFOCJ-UHFFFAOYSA-N 0 1 338.314 2.821 20 5 EFBDMN COc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCCO ZINC000127739054 473646304 /nfs/dbraw/zinc/64/63/04/473646304.db2.gz DROAGMCRHYZTDP-ZDUSSCGKSA-N 0 1 346.383 2.825 20 5 EFBDMN Cc1cnc([C@@H](C)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000186380942 473664565 /nfs/dbraw/zinc/66/45/65/473664565.db2.gz RGFLDSZZDPASOF-QMMMGPOBSA-N 0 1 345.384 2.770 20 5 EFBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000179280592 473668213 /nfs/dbraw/zinc/66/82/13/473668213.db2.gz SNOOQJOZFMWMQE-UHFFFAOYSA-N 0 1 349.310 2.509 20 5 EFBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179333351 473675639 /nfs/dbraw/zinc/67/56/39/473675639.db2.gz UYLXBCMWWMDSAX-JTQLQIEISA-N 0 1 347.400 2.672 20 5 EFBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CCO)c1ccco1 ZINC000186524760 473685948 /nfs/dbraw/zinc/68/59/48/473685948.db2.gz PUHPOOMCZNZYEO-SWLSCSKDSA-N 0 1 347.371 2.618 20 5 EFBDMN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269127398 473703327 /nfs/dbraw/zinc/70/33/27/473703327.db2.gz JWDRLUWMJTXNIO-CYBMUJFWSA-N 0 1 341.367 2.557 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1ccccc1C ZINC000186631232 473706755 /nfs/dbraw/zinc/70/67/55/473706755.db2.gz SCGKBPJKMJULAX-UHFFFAOYSA-N 0 1 336.369 2.854 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1cccc(C)c1 ZINC000186631278 473706803 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CC[N@@H+](CC(=O)[O-])C1CC(Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000263558899 473776344 /nfs/dbraw/zinc/77/63/44/473776344.db2.gz PXYPVGVGUBADDW-UHFFFAOYSA-N 0 1 327.768 2.598 20 5 EFBDMN CN(Cc1ccccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315947 473780067 /nfs/dbraw/zinc/78/00/67/473780067.db2.gz YUPUPENTONXKJZ-CQSZACIVSA-N 0 1 334.347 2.606 20 5 EFBDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263569781 473780126 /nfs/dbraw/zinc/78/01/26/473780126.db2.gz HSDXNWVCYGKTBY-UHFFFAOYSA-N 0 1 331.166 2.652 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccccn2)C2CC2)c1[N+](=O)[O-] ZINC000269347464 473781791 /nfs/dbraw/zinc/78/17/91/473781791.db2.gz QRZKIWHMGOXLBB-UHFFFAOYSA-N 0 1 329.360 2.641 20 5 EFBDMN CC[N@@H+](CC(=O)[O-])C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000263576005 473783028 /nfs/dbraw/zinc/78/30/28/473783028.db2.gz PVLAEWDVGSVLDZ-AWEZNQCLSA-N 0 1 349.431 2.835 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263582113 473785681 /nfs/dbraw/zinc/78/56/81/473785681.db2.gz YDCJJDCPCPPGBV-HUUCEWRRSA-N 0 1 349.431 2.835 20 5 EFBDMN C[C@H](NCC(=O)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173333969 473808791 /nfs/dbraw/zinc/80/87/91/473808791.db2.gz LPJKLTXRDPBECU-AWEZNQCLSA-N 0 1 327.384 2.904 20 5 EFBDMN CN1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000263722183 473819776 /nfs/dbraw/zinc/81/97/76/473819776.db2.gz KBMNZQCLMMKQGX-SNVBAGLBSA-N 0 1 349.774 2.829 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)CCCOCc2ccccc2)c1[N+](=O)[O-] ZINC000281758047 473828375 /nfs/dbraw/zinc/82/83/75/473828375.db2.gz TXDRXAXKDPGBCW-UHFFFAOYSA-N 0 1 346.387 2.559 20 5 EFBDMN CCOC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246346497 473834869 /nfs/dbraw/zinc/83/48/69/473834869.db2.gz JKLAJVNXAUOPTM-KGLIPLIRSA-N 0 1 335.404 2.670 20 5 EFBDMN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000269692363 473863900 /nfs/dbraw/zinc/86/39/00/473863900.db2.gz VPRXNXXXGJDPBO-MSOLQXFVSA-N 0 1 346.383 2.902 20 5 EFBDMN CCc1nn(C)cc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180431883 473877326 /nfs/dbraw/zinc/87/73/26/473877326.db2.gz WOSUHVITFNJDKP-UHFFFAOYSA-N 0 1 344.415 2.934 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2c2ccnn2C)c1[N+](=O)[O-] ZINC000281923771 473886230 /nfs/dbraw/zinc/88/62/30/473886230.db2.gz HCGXYDUFCCHNBK-LBPRGKRZSA-N 0 1 346.391 2.542 20 5 EFBDMN CCOC(=O)N1CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000274618101 473897840 /nfs/dbraw/zinc/89/78/40/473897840.db2.gz VPWLDBSNWYZXLQ-LBPRGKRZSA-N 0 1 327.768 2.569 20 5 EFBDMN O=[N+]([O-])c1ccccc1N1CCN(CCCC2CCOCC2)CC1 ZINC000274625779 473899983 /nfs/dbraw/zinc/89/99/83/473899983.db2.gz GVPXJMHHOMKCQK-UHFFFAOYSA-N 0 1 333.432 2.924 20 5 EFBDMN Cc1[nH]ncc1CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000263939722 473912025 /nfs/dbraw/zinc/91/20/25/473912025.db2.gz GRZMYYFTJQFGMM-UHFFFAOYSA-N 0 1 328.328 2.735 20 5 EFBDMN COc1ccc(OCCN2CCS[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000173770029 473928583 /nfs/dbraw/zinc/92/85/83/473928583.db2.gz MDVDDENDEXUZQP-NWDGAFQWSA-N 0 1 326.418 2.808 20 5 EFBDMN COc1ccc(OCCN2CCS[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000173770005 473929118 /nfs/dbraw/zinc/92/91/18/473929118.db2.gz MDVDDENDEXUZQP-RYUDHWBXSA-N 0 1 326.418 2.808 20 5 EFBDMN C[C@H](C(=O)NC(C)(C)C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244058 474011555 /nfs/dbraw/zinc/01/15/55/474011555.db2.gz WPWRTECEMNOMKC-CYBMUJFWSA-N 0 1 349.431 2.741 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1cccc(O)c1 ZINC000181533926 474045898 /nfs/dbraw/zinc/04/58/98/474045898.db2.gz SCQMINZRHYYNAJ-GFCCVEGCSA-N 0 1 329.356 2.898 20 5 EFBDMN COc1ccc(NC(=O)CN[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181581578 474050500 /nfs/dbraw/zinc/05/05/00/474050500.db2.gz KQOFSQWOUKKLJZ-LLVKDONJSA-N 0 1 345.355 2.598 20 5 EFBDMN CCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC000181592751 474050788 /nfs/dbraw/zinc/05/07/88/474050788.db2.gz BTFKQELLGSAJNG-CYBMUJFWSA-N 0 1 328.434 2.735 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000264597975 474053851 /nfs/dbraw/zinc/05/38/51/474053851.db2.gz IDSWOCQLGNDPTK-UHFFFAOYSA-N 0 1 344.371 2.606 20 5 EFBDMN CCCCc1nnc(NC(=O)c2n[nH]c(CCC)c2[N+](=O)[O-])s1 ZINC000264629415 474066590 /nfs/dbraw/zinc/06/65/90/474066590.db2.gz YHYOKVMDMVAXRL-UHFFFAOYSA-N 0 1 338.393 2.717 20 5 EFBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCCc2cn[nH]c21 ZINC000270398048 474103966 /nfs/dbraw/zinc/10/39/66/474103966.db2.gz OJVCZFFUKLMVDS-OAHLLOKOSA-N 0 1 339.355 2.536 20 5 EFBDMN O=[N+]([O-])c1cnn(CCN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000174840486 474104342 /nfs/dbraw/zinc/10/43/42/474104342.db2.gz RLFZWBGWCGZHBS-UHFFFAOYSA-N 0 1 333.367 2.507 20 5 EFBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ccncc1 ZINC000182270378 474138282 /nfs/dbraw/zinc/13/82/82/474138282.db2.gz JUUAMNOGLOTGNM-HZPDHXFCSA-N 0 1 343.383 2.567 20 5 EFBDMN CC(C)N(C)C(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175281533 474178405 /nfs/dbraw/zinc/17/84/05/474178405.db2.gz RLUAFDRYYHDRCN-AWEZNQCLSA-N 0 1 349.431 2.693 20 5 EFBDMN CC(C)N(C)C(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175281513 474179379 /nfs/dbraw/zinc/17/93/79/474179379.db2.gz RLUAFDRYYHDRCN-CQSZACIVSA-N 0 1 349.431 2.693 20 5 EFBDMN CC1(C)CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1 ZINC000175397660 474206952 /nfs/dbraw/zinc/20/69/52/474206952.db2.gz YCVMDHCGFYQFTR-UHFFFAOYSA-N 0 1 346.412 2.542 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000275601162 474248769 /nfs/dbraw/zinc/24/87/69/474248769.db2.gz ICPNLOAFPSCBKI-SECBINFHSA-N 0 1 348.363 2.728 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)C=Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000270750921 474249065 /nfs/dbraw/zinc/24/90/65/474249065.db2.gz MWKNYOUTCAPEJF-FBOQAHMBSA-N 0 1 329.360 2.727 20 5 EFBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182830898 474266373 /nfs/dbraw/zinc/26/63/73/474266373.db2.gz UYNDXQBLLGBHNJ-GXTWGEPZSA-N 0 1 347.415 2.683 20 5 EFBDMN CC[C@H](C)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)[O-] ZINC000236971282 474315027 /nfs/dbraw/zinc/31/50/27/474315027.db2.gz FSJKWFMKXIJJFY-LBPRGKRZSA-N 0 1 347.371 2.977 20 5 EFBDMN COCCCn1nccc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000283164272 474324841 /nfs/dbraw/zinc/32/48/41/474324841.db2.gz YMOGUDWRNFNMPD-UHFFFAOYSA-N 0 1 332.404 2.502 20 5 EFBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000248515385 474345460 /nfs/dbraw/zinc/34/54/60/474345460.db2.gz FWMCVEHMKZDYML-RCBQFDQVSA-N 0 1 334.372 2.691 20 5 EFBDMN COc1ccc(OCCN2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000289647891 474361690 /nfs/dbraw/zinc/36/16/90/474361690.db2.gz DOPCXVJJCGZAGP-NSHDSACASA-N 0 1 330.331 2.959 20 5 EFBDMN CS(=O)(=O)[C@H]1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265916620 474384775 /nfs/dbraw/zinc/38/47/75/474384775.db2.gz ZDVNCUVGLHDLIU-AAEUAGOBSA-N 0 1 346.836 2.694 20 5 EFBDMN C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000265933194 474391784 /nfs/dbraw/zinc/39/17/84/474391784.db2.gz DZGFRIUWEMWEBG-GWCFXTLKSA-N 0 1 325.796 2.660 20 5 EFBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1OC(F)(F)F ZINC000176202624 474408249 /nfs/dbraw/zinc/40/82/49/474408249.db2.gz SXQYCQNHXDXXFR-UHFFFAOYSA-N 0 1 344.293 2.822 20 5 EFBDMN C[C@@H]1SCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000176248990 474421471 /nfs/dbraw/zinc/42/14/71/474421471.db2.gz NCHZRXPUXSLAQR-XJKSGUPXSA-N 0 1 332.429 2.970 20 5 EFBDMN CCOc1cccc(NC[C@@H]2CN(CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000184041280 474463519 /nfs/dbraw/zinc/46/35/19/474463519.db2.gz OCVYQHVMLXWHEL-CQSZACIVSA-N 0 1 337.420 2.762 20 5 EFBDMN COC[C@@]1(CNCc2csc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000289871010 474465098 /nfs/dbraw/zinc/46/50/98/474465098.db2.gz PAXOMEVFOUZOOX-QGZVFWFLSA-N 0 1 348.424 2.861 20 5 EFBDMN COc1cc(CNc2nc3cc(F)ccc3n2C)cc([N+](=O)[O-])c1O ZINC000184255970 474491049 /nfs/dbraw/zinc/49/10/49/474491049.db2.gz KHNWQFPOVBBMCM-UHFFFAOYSA-N 0 1 346.318 2.947 20 5 EFBDMN Cc1c(NC(=O)[C@H](C)N2CCSC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000248976851 474496480 /nfs/dbraw/zinc/49/64/80/474496480.db2.gz DYBWNYYXENRSDR-AAEUAGOBSA-N 0 1 337.445 2.915 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000266960232 474548843 /nfs/dbraw/zinc/54/88/43/474548843.db2.gz UEWJBBMQALMYRK-GXTWGEPZSA-N 0 1 328.372 2.720 20 5 EFBDMN C[C@H](CO)N(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1 ZINC000276485567 474561614 /nfs/dbraw/zinc/56/16/14/474561614.db2.gz UCSVWWNJEISOAA-GFCCVEGCSA-N 0 1 346.387 2.770 20 5 EFBDMN CCOc1ccc([C@H](C)NC[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271505199 474574330 /nfs/dbraw/zinc/57/43/30/474574330.db2.gz MPOAGAAXYLMTKK-ZANVPECISA-N 0 1 336.310 2.957 20 5 EFBDMN C[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000184680479 474582521 /nfs/dbraw/zinc/58/25/21/474582521.db2.gz GDYHHIZTYHYOJB-LLVKDONJSA-N 0 1 337.339 2.871 20 5 EFBDMN C[C@@H]1CN(C[C@H]2CCCN2Cc2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000249823986 474618748 /nfs/dbraw/zinc/61/87/48/474618748.db2.gz OZGMPQIQJGZNPU-VNHYZAJKSA-N 0 1 339.461 2.730 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCc2ccc(O)cc2CC1 ZINC000609133412 480116997 /nfs/dbraw/zinc/11/69/97/480116997.db2.gz ZFASPEDNHAZSDC-UHFFFAOYSA-N 0 1 328.368 2.910 20 5 EFBDMN Cc1cc(N2CCN(C(C)C)C(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340789817 474670327 /nfs/dbraw/zinc/67/03/27/474670327.db2.gz DPPHCNGNKXRWNV-UHFFFAOYSA-N 0 1 328.372 2.508 20 5 EFBDMN NC(=O)c1ccc(CN(Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000338891046 474706536 /nfs/dbraw/zinc/70/65/36/474706536.db2.gz ABEHPZTUWMGGTD-UHFFFAOYSA-N 0 1 341.367 2.564 20 5 EFBDMN COc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000305203242 474714752 /nfs/dbraw/zinc/71/47/52/474714752.db2.gz YBKZJWXPCWBJGD-SFHVURJKSA-N 0 1 328.368 2.527 20 5 EFBDMN O=C(NC1CCC(c2ccc(F)cc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000273105240 474719029 /nfs/dbraw/zinc/71/90/29/474719029.db2.gz MXJCSHMWNLIARG-UHFFFAOYSA-N 0 1 332.335 2.913 20 5 EFBDMN CC(C)CC1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000340877887 474741768 /nfs/dbraw/zinc/74/17/68/474741768.db2.gz DAWGBIJUEIXCFO-UHFFFAOYSA-N 0 1 330.381 2.839 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c1[N+](=O)[O-] ZINC000268005685 474746637 /nfs/dbraw/zinc/74/66/37/474746637.db2.gz OADJIRIBDOQRSN-SNVBAGLBSA-N 0 1 348.384 2.565 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000253425554 474751806 /nfs/dbraw/zinc/75/18/06/474751806.db2.gz DEZCDOWXMOCRSN-GFCCVEGCSA-N 0 1 345.359 2.916 20 5 EFBDMN CCN(CCNc1c([N+](=O)[O-])nc(C)n1CC)CCC(F)(F)F ZINC000340906424 474766537 /nfs/dbraw/zinc/76/65/37/474766537.db2.gz PXQMHRNMRRLCOO-UHFFFAOYSA-N 0 1 337.346 2.806 20 5 EFBDMN COc1cc(CN2CCC[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000284992697 474855635 /nfs/dbraw/zinc/85/56/35/474855635.db2.gz JBBNVMNTJZCUIS-DZGCQCFKSA-N 0 1 336.388 2.755 20 5 EFBDMN Cc1cc(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000345060525 474858071 /nfs/dbraw/zinc/85/80/71/474858071.db2.gz GWRGQIPFDDWAEG-MSOLQXFVSA-N 0 1 339.395 2.731 20 5 EFBDMN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2O)cc1[N+](=O)[O-] ZINC000315713949 474875322 /nfs/dbraw/zinc/87/53/22/474875322.db2.gz QTDKEKGYPZEPBD-UHFFFAOYSA-N 0 1 326.305 2.549 20 5 EFBDMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000273388606 474875430 /nfs/dbraw/zinc/87/54/30/474875430.db2.gz JNSYUZPGUDAVLX-QMMMGPOBSA-N 0 1 336.327 2.858 20 5 EFBDMN CCCCc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2[nH]1 ZINC000285086829 474885972 /nfs/dbraw/zinc/88/59/72/474885972.db2.gz KCZJVDSAFRTEAW-UHFFFAOYSA-N 0 1 328.332 2.789 20 5 EFBDMN CC(C)(NCc1cc(O)ccc1[N+](=O)[O-])C(=O)NCC1CCCCC1 ZINC000339061198 474891820 /nfs/dbraw/zinc/89/18/20/474891820.db2.gz YPEMCGSIGMSHKN-UHFFFAOYSA-N 0 1 349.431 2.865 20 5 EFBDMN CC(C)([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])C(=O)NCC1CCCCC1 ZINC000339061198 474891830 /nfs/dbraw/zinc/89/18/30/474891830.db2.gz YPEMCGSIGMSHKN-UHFFFAOYSA-N 0 1 349.431 2.865 20 5 EFBDMN Cc1ccc([C@@H](C)N[C@H](Cc2ccccc2)C(N)=O)cc1[N+](=O)[O-] ZINC000273448335 474904074 /nfs/dbraw/zinc/90/40/74/474904074.db2.gz XOFCCVYVLHTWDP-CZUORRHYSA-N 0 1 327.384 2.650 20 5 EFBDMN Cc1cc(OCc2nc(C(C)(C)N)no2)c(Cl)cc1[N+](=O)[O-] ZINC000320656708 474914813 /nfs/dbraw/zinc/91/48/13/474914813.db2.gz HKZOHARRSGQIQW-UHFFFAOYSA-N 0 1 326.740 2.712 20 5 EFBDMN CC(C)(NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000292232199 474917127 /nfs/dbraw/zinc/91/71/27/474917127.db2.gz VYAKMMLVHMCAOC-CQSZACIVSA-N 0 1 348.374 2.999 20 5 EFBDMN CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CCN1Cc1ccccc1 ZINC000273502384 474932241 /nfs/dbraw/zinc/93/22/41/474932241.db2.gz OMUSAGYKVAQLMP-INIZCTEOSA-N 0 1 343.431 2.738 20 5 EFBDMN Cc1ccc(C)c(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273526133 474944556 /nfs/dbraw/zinc/94/45/56/474944556.db2.gz UJUSAGSNICDIDO-UHFFFAOYSA-N 0 1 348.424 2.775 20 5 EFBDMN CCN1C[C@@H](C)N(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000345160412 474948402 /nfs/dbraw/zinc/94/84/02/474948402.db2.gz JDNHQBNYNAKGCU-NWDGAFQWSA-N 0 1 331.376 2.564 20 5 EFBDMN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339131744 474961721 /nfs/dbraw/zinc/96/17/21/474961721.db2.gz VQQSDRANRNBFAI-KRWDZBQOSA-N 0 1 336.388 2.712 20 5 EFBDMN Cc1ccc2nc([C@H]3CCCN(c4ncc([N+](=O)[O-])cn4)C3)[nH]c2c1 ZINC000273706531 475022706 /nfs/dbraw/zinc/02/27/06/475022706.db2.gz DNUSSSLUDKNYNO-LBPRGKRZSA-N 0 1 338.371 2.954 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000261700016 475032231 /nfs/dbraw/zinc/03/22/31/475032231.db2.gz ORKWVVMHSSFYOT-DFBGVHRSSA-N 0 1 334.372 2.821 20 5 EFBDMN COCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000339220185 475052510 /nfs/dbraw/zinc/05/25/10/475052510.db2.gz XZRWCLYXDKPYLL-CYBMUJFWSA-N 0 1 326.418 2.644 20 5 EFBDMN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000292522234 475068824 /nfs/dbraw/zinc/06/88/24/475068824.db2.gz WIUDIVCLEQFRET-CXAGYDPISA-N 0 1 328.368 2.911 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCc3cc(F)cc(C)c3C2)c1[N+](=O)[O-] ZINC000337503353 475075164 /nfs/dbraw/zinc/07/51/64/475075164.db2.gz FWBFUXRJKIKWSY-UHFFFAOYSA-N 0 1 346.362 2.916 20 5 EFBDMN Cc1cc(N2CCC[C@@H](CN3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292555524 475087650 /nfs/dbraw/zinc/08/76/50/475087650.db2.gz JGMARUJKHPBSSK-AWEZNQCLSA-N 0 1 337.395 2.591 20 5 EFBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268946849 475088909 /nfs/dbraw/zinc/08/89/09/475088909.db2.gz HKMQVXVGGWGZBN-CYBMUJFWSA-N 0 1 329.360 2.537 20 5 EFBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268988951 475115078 /nfs/dbraw/zinc/11/50/78/475115078.db2.gz OPYKBYSFGUYJNX-OAHLLOKOSA-N 0 1 343.387 2.704 20 5 EFBDMN NC(=O)c1ccc(CN2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000339375901 475173215 /nfs/dbraw/zinc/17/32/15/475173215.db2.gz HULMYGXMCGSNRG-CYBMUJFWSA-N 0 1 343.358 2.822 20 5 EFBDMN COCCN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000287505939 475175871 /nfs/dbraw/zinc/17/58/71/475175871.db2.gz UFMOXEISEPNRQY-UHFFFAOYSA-N 0 1 331.372 2.517 20 5 EFBDMN CC(C)C[C@@H](N)c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000339396439 475194803 /nfs/dbraw/zinc/19/48/03/475194803.db2.gz UHNYHIUIDOOUGQ-CYBMUJFWSA-N 0 1 342.359 2.876 20 5 EFBDMN CC(C)C[C@@H](N)c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000339399282 475195341 /nfs/dbraw/zinc/19/53/41/475195341.db2.gz ZIPXPHMCBOGYKR-GFCCVEGCSA-N 0 1 343.343 2.945 20 5 EFBDMN CC[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CCCO1 ZINC000296107666 475198887 /nfs/dbraw/zinc/19/88/87/475198887.db2.gz GUASJITYLQGVKF-CQSZACIVSA-N 0 1 344.371 2.626 20 5 EFBDMN CCc1nc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)n[nH]1 ZINC000296112439 475199502 /nfs/dbraw/zinc/19/95/02/475199502.db2.gz SMFYIACTPKDAEO-UHFFFAOYSA-N 0 1 327.344 2.825 20 5 EFBDMN O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000613950735 480153140 /nfs/dbraw/zinc/15/31/40/480153140.db2.gz GSJJWEGMLAICTC-UHFFFAOYSA-N 0 1 346.730 2.760 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2cncn2c1 ZINC000341653354 475207512 /nfs/dbraw/zinc/20/75/12/475207512.db2.gz AVFIFVCSFHBJMQ-UHFFFAOYSA-N 0 1 326.312 2.894 20 5 EFBDMN Cc1sc(S(=O)(=O)N[C@@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000341663435 475211656 /nfs/dbraw/zinc/21/16/56/475211656.db2.gz XDMAOOWGWBJFGU-VIFPVBQESA-N 0 1 344.336 2.584 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]1C(=O)NC1CC1 ZINC000347331687 475237484 /nfs/dbraw/zinc/23/74/84/475237484.db2.gz FWHOUEHHBJHIIL-RTGRKSDTSA-N 0 1 329.400 2.741 20 5 EFBDMN Cc1c(-c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)cccc1[N+](=O)[O-] ZINC000347332713 475239694 /nfs/dbraw/zinc/23/96/94/475239694.db2.gz HVPXGXGVTMAXQD-RHSMWYFYSA-N 0 1 344.371 2.879 20 5 EFBDMN NC(=O)CN(CCOc1cccc([N+](=O)[O-])c1)CCC1CCCCC1 ZINC000337692255 475244451 /nfs/dbraw/zinc/24/44/51/475244451.db2.gz VOHOQVHRGKNAAD-UHFFFAOYSA-N 0 1 349.431 2.731 20 5 EFBDMN Cc1ccc(-c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000347347788 475254101 /nfs/dbraw/zinc/25/41/01/475254101.db2.gz YNYDMBNISSCADZ-RHSMWYFYSA-N 0 1 344.371 2.879 20 5 EFBDMN CCOc1ccc([C@@H](C)NCc2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000296325495 475269616 /nfs/dbraw/zinc/26/96/16/475269616.db2.gz GZGWSULKHHGTPR-SNVBAGLBSA-N 0 1 331.376 2.840 20 5 EFBDMN CCCN1CCN(C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361213527 475274225 /nfs/dbraw/zinc/27/42/25/475274225.db2.gz ZELSNYYKPYLTCP-MRXNPFEDSA-N 0 1 333.432 2.718 20 5 EFBDMN CO[C@]1(C)C[C@@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000296336201 475274525 /nfs/dbraw/zinc/27/45/25/475274525.db2.gz RAVXUDSIBWDZNR-CXAGYDPISA-N 0 1 346.387 2.938 20 5 EFBDMN Cc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000361249213 475302666 /nfs/dbraw/zinc/30/26/66/475302666.db2.gz FPXNOJWAHSTWHW-CQSZACIVSA-N 0 1 343.358 2.937 20 5 EFBDMN Cc1[nH]ncc1CCCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296485797 475338293 /nfs/dbraw/zinc/33/82/93/475338293.db2.gz PGBWTMFLLSUAAD-NSHDSACASA-N 0 1 331.376 2.619 20 5 EFBDMN CCc1nocc1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000339605941 475342955 /nfs/dbraw/zinc/34/29/55/475342955.db2.gz DGFGIWZSISJSMY-UHFFFAOYSA-N 0 1 332.360 2.606 20 5 EFBDMN O=[N+]([O-])c1cc(CNCc2ccccc2Cn2cncn2)cs1 ZINC000337826169 475356161 /nfs/dbraw/zinc/35/61/61/475356161.db2.gz WDDKVZYCRJEAMB-UHFFFAOYSA-N 0 1 329.385 2.586 20 5 EFBDMN NC(=O)CN(CCOc1ccccc1[N+](=O)[O-])CCC1CCCCC1 ZINC000337830937 475360548 /nfs/dbraw/zinc/36/05/48/475360548.db2.gz ZXZHHJSNWCDIRK-UHFFFAOYSA-N 0 1 349.431 2.731 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000354728364 475362848 /nfs/dbraw/zinc/36/28/48/475362848.db2.gz GRDIQZMRRTWLLP-CYBMUJFWSA-N 0 1 332.335 2.613 20 5 EFBDMN COCC[C@H]1CCCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000331664583 475370067 /nfs/dbraw/zinc/37/00/67/475370067.db2.gz QTRPTYSJTGEDPV-GFCCVEGCSA-N 0 1 338.408 2.720 20 5 EFBDMN COCC[C@@H]1CCCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000331664584 475370230 /nfs/dbraw/zinc/37/02/30/475370230.db2.gz QTRPTYSJTGEDPV-LBPRGKRZSA-N 0 1 338.408 2.720 20 5 EFBDMN C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCOC1 ZINC000348135910 475417907 /nfs/dbraw/zinc/41/79/07/475417907.db2.gz LWIPDZCOWMZJHK-YPMHNXCESA-N 0 1 332.360 2.550 20 5 EFBDMN COc1cccc(C2=CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)c1 ZINC000354805948 475425154 /nfs/dbraw/zinc/42/51/54/475425154.db2.gz BKWHTSKKIWQESK-UHFFFAOYSA-N 0 1 342.355 2.564 20 5 EFBDMN CC(C)(NC(=O)c1ccc2[nH]nnc2c1)c1ccccc1[N+](=O)[O-] ZINC000345774330 475439391 /nfs/dbraw/zinc/43/93/91/475439391.db2.gz JETZBCZPGHYKON-UHFFFAOYSA-N 0 1 325.328 2.531 20 5 EFBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000345778189 475442389 /nfs/dbraw/zinc/44/23/89/475442389.db2.gz LEOMHAFAWVTKMK-RHSMWYFYSA-N 0 1 348.447 2.998 20 5 EFBDMN Cc1ccc(CNC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296741199 475455642 /nfs/dbraw/zinc/45/56/42/475455642.db2.gz OWBBWSPRQBWCKM-AWEZNQCLSA-N 0 1 327.384 2.870 20 5 EFBDMN CN1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000341973392 475463961 /nfs/dbraw/zinc/46/39/61/475463961.db2.gz GGWSWMOGBWXYPN-GOSISDBHSA-N 0 1 325.412 2.954 20 5 EFBDMN CC(=O)Nc1ccc(C)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000342027500 475514752 /nfs/dbraw/zinc/51/47/52/475514752.db2.gz TZGDQRXUWVXIIF-UHFFFAOYSA-N 0 1 329.312 2.820 20 5 EFBDMN C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000296894259 475524008 /nfs/dbraw/zinc/52/40/08/475524008.db2.gz XKAOHFCRTXPMBD-OAHLLOKOSA-N 0 1 338.795 2.808 20 5 EFBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCc2[nH]nnc2C1 ZINC000346061857 475556254 /nfs/dbraw/zinc/55/62/54/475556254.db2.gz OAMMMZQUWHOCJO-UHFFFAOYSA-N 0 1 329.363 2.705 20 5 EFBDMN CCN(C[C@@H](C)OC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361572074 475557711 /nfs/dbraw/zinc/55/77/11/475557711.db2.gz CGPJEUVTTUEZPU-GHMZBOCLSA-N 0 1 343.811 2.932 20 5 EFBDMN CC(F)(F)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000297015431 475575727 /nfs/dbraw/zinc/57/57/27/475575727.db2.gz KIAXWTRYCIGXJQ-UHFFFAOYSA-N 0 1 346.714 2.711 20 5 EFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C2CCOCC2)C1 ZINC000332259838 475578879 /nfs/dbraw/zinc/57/88/79/475578879.db2.gz AXXUWPXEXAGPIZ-UKRRQHHQSA-N 0 1 347.415 2.670 20 5 EFBDMN COc1cccc(C(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)c1[N+](=O)[O-] ZINC000332266211 475580401 /nfs/dbraw/zinc/58/04/01/475580401.db2.gz BWMXXMLGIMCXPI-GFCCVEGCSA-N 0 1 344.371 2.655 20 5 EFBDMN COCCCC[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000348317035 475587178 /nfs/dbraw/zinc/58/71/78/475587178.db2.gz GHZSORCCCBJPOQ-OAHLLOKOSA-N 0 1 332.404 2.976 20 5 EFBDMN CCOC[C@H](O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352797338 475634398 /nfs/dbraw/zinc/63/43/98/475634398.db2.gz QBQFLCFKZNEPRU-QZTJIDSGSA-N 0 1 330.384 2.671 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000332427215 475634609 /nfs/dbraw/zinc/63/46/09/475634609.db2.gz UXNMADYXQCQFPY-FZMZJTMJSA-N 0 1 328.372 2.892 20 5 EFBDMN C[C@H](NC(=O)N1C[C@H]2CCCCN2C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000332432532 475635177 /nfs/dbraw/zinc/63/51/77/475635177.db2.gz HTFSYLUKYQQNQQ-QLFBSQMISA-N 0 1 346.431 2.924 20 5 EFBDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000332442653 475639337 /nfs/dbraw/zinc/63/93/37/475639337.db2.gz CLKALFSKHBJBLG-KBPBESRZSA-N 0 1 349.456 2.772 20 5 EFBDMN Cc1cc(C2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)n[nH]1 ZINC000332480886 475648867 /nfs/dbraw/zinc/64/88/67/475648867.db2.gz YHZQQGJPFRSNIR-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000332490481 475650759 /nfs/dbraw/zinc/65/07/59/475650759.db2.gz ONZGLPCBJWADQC-HIFRSBDPSA-N 0 1 349.456 2.772 20 5 EFBDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000332585967 475677276 /nfs/dbraw/zinc/67/72/76/475677276.db2.gz IMLIVNFOSLZISA-AAEUAGOBSA-N 0 1 336.367 2.824 20 5 EFBDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000332596732 475680049 /nfs/dbraw/zinc/68/00/49/475680049.db2.gz MCABOYQHCNQTKP-RHSMWYFYSA-N 0 1 345.443 2.958 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCOc3cccc(F)c3C2)c1[N+](=O)[O-] ZINC000338235406 475698976 /nfs/dbraw/zinc/69/89/76/475698976.db2.gz OVFRVDKWFJRHSZ-UHFFFAOYSA-N 0 1 348.334 2.615 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000358531508 475751621 /nfs/dbraw/zinc/75/16/21/475751621.db2.gz QZZZBJCCJJLPNB-UHFFFAOYSA-N 0 1 330.296 2.764 20 5 EFBDMN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1COC[C@@H]1O ZINC000348631473 475785580 /nfs/dbraw/zinc/78/55/80/475785580.db2.gz DJXRXRIRYSZKRJ-GJZGRUSLSA-N 0 1 334.397 2.515 20 5 EFBDMN COc1ccc(-c2n[nH]c(CNc3cc(C)c([N+](=O)[O-])cn3)n2)cc1 ZINC000361828970 475790296 /nfs/dbraw/zinc/79/02/96/475790296.db2.gz IKHUQDAORQPIRS-UHFFFAOYSA-N 0 1 340.343 2.704 20 5 EFBDMN COc1ccc(-c2nc(CNc3cc(C)c([N+](=O)[O-])cn3)n[nH]2)cc1 ZINC000361828970 475790302 /nfs/dbraw/zinc/79/03/02/475790302.db2.gz IKHUQDAORQPIRS-UHFFFAOYSA-N 0 1 340.343 2.704 20 5 EFBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1COC[C@H]1O ZINC000348648715 475799777 /nfs/dbraw/zinc/79/97/77/475799777.db2.gz RNFCUUAGTPHFNL-LSDHHAIUSA-N 0 1 334.397 2.515 20 5 EFBDMN Cc1ccc2c(c1)CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000361841275 475801002 /nfs/dbraw/zinc/80/10/02/475801002.db2.gz CLOYIWSDZSTMSC-SFHVURJKSA-N 0 1 342.395 2.701 20 5 EFBDMN CC(C)[C@@](C)(NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(N)=O ZINC000297566370 475809322 /nfs/dbraw/zinc/80/93/22/475809322.db2.gz HLWTWVUAUUCVHT-CYBMUJFWSA-N 0 1 333.310 2.603 20 5 EFBDMN C[C@H](C(=O)NC1CCCCC1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338352111 475816445 /nfs/dbraw/zinc/81/64/45/475816445.db2.gz UJYAQWPOAWWCEX-CQSZACIVSA-N 0 1 333.432 2.907 20 5 EFBDMN C[C@@H](C(=O)NC1CCCCC1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338352108 475817699 /nfs/dbraw/zinc/81/76/99/475817699.db2.gz UJYAQWPOAWWCEX-AWEZNQCLSA-N 0 1 333.432 2.907 20 5 EFBDMN C[C@@H](NCc1cccc(NS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000340173904 475823347 /nfs/dbraw/zinc/82/33/47/475823347.db2.gz KGSYISUVUAFZDW-GFCCVEGCSA-N 0 1 349.412 2.817 20 5 EFBDMN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000338365812 475829780 /nfs/dbraw/zinc/82/97/80/475829780.db2.gz GVTVRPNCRBFDIL-LLVKDONJSA-N 0 1 332.335 2.808 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346763892 475837830 /nfs/dbraw/zinc/83/78/30/475837830.db2.gz FNJWSHRASCPCPN-KGLIPLIRSA-N 0 1 333.432 2.814 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C ZINC000346768215 475840893 /nfs/dbraw/zinc/84/08/93/475840893.db2.gz JQEJWGAHICUBLG-STQMWFEESA-N 0 1 342.399 2.698 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C ZINC000346768208 475841202 /nfs/dbraw/zinc/84/12/02/475841202.db2.gz JQEJWGAHICUBLG-CHWSQXEVSA-N 0 1 342.399 2.698 20 5 EFBDMN CN1Cc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2NC1=O ZINC000358706142 475872240 /nfs/dbraw/zinc/87/22/40/475872240.db2.gz CKIVSNBEEQXJNU-UHFFFAOYSA-N 0 1 342.311 2.530 20 5 EFBDMN Cc1ccc([C@H](C)NC[C@@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000346809796 475877550 /nfs/dbraw/zinc/87/75/50/475877550.db2.gz FVWOXJLWPWBVBK-JSGCOSHPSA-N 0 1 326.418 2.521 20 5 EFBDMN CC[C@H](CSC)N(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000358742010 475899332 /nfs/dbraw/zinc/89/93/32/475899332.db2.gz YOVCBVWFMOTMIU-GFCCVEGCSA-N 0 1 325.434 2.915 20 5 EFBDMN CN(Cc1ccccc1)C1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000353362326 475902070 /nfs/dbraw/zinc/90/20/70/475902070.db2.gz YOILQXBRIPZFIG-UHFFFAOYSA-N 0 1 340.383 2.943 20 5 EFBDMN Cc1nc([C@@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n[nH]1 ZINC000343341098 475966095 /nfs/dbraw/zinc/96/60/95/475966095.db2.gz ISFOGDVDQLBIOP-SNVBAGLBSA-N 0 1 347.378 2.599 20 5 EFBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000343343935 475967604 /nfs/dbraw/zinc/96/76/04/475967604.db2.gz BWSCZSQDRGAYEG-MRVPVSSYSA-N 0 1 335.389 2.624 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2Cc2ccccc2C)c1[N+](=O)[O-] ZINC000358842987 475981184 /nfs/dbraw/zinc/98/11/84/475981184.db2.gz XBGKFTPKVKUKKE-CQSZACIVSA-N 0 1 328.372 2.782 20 5 EFBDMN CCOc1cc(N2CCN(CCSCC)CC2)ccc1[N+](=O)[O-] ZINC000355523443 476005767 /nfs/dbraw/zinc/00/57/67/476005767.db2.gz DFRVQMLPKOJPFS-UHFFFAOYSA-N 0 1 339.461 2.869 20 5 EFBDMN COCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[C@H](C)C1 ZINC000362152627 476035099 /nfs/dbraw/zinc/03/50/99/476035099.db2.gz WEQKHGLUJULTSO-DZGCQCFKSA-N 0 1 349.431 2.979 20 5 EFBDMN CCOc1ccc(CN(C)C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])cc1 ZINC000338607752 476048814 /nfs/dbraw/zinc/04/88/14/476048814.db2.gz UHLCJCCQVCGAOH-UHFFFAOYSA-N 0 1 332.360 2.551 20 5 EFBDMN CC1CCC(C)(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000355955579 476071912 /nfs/dbraw/zinc/07/19/12/476071912.db2.gz MQLCMYKUEBGMKT-UHFFFAOYSA-N 0 1 330.381 2.981 20 5 EFBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000353564189 476083384 /nfs/dbraw/zinc/08/33/84/476083384.db2.gz OVFGRJHXOYXLAC-UHFFFAOYSA-N 0 1 340.242 2.545 20 5 EFBDMN C[C@H]1CC(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000338651577 476087214 /nfs/dbraw/zinc/08/72/14/476087214.db2.gz CDIWIGHORVGCIW-QWRGUYRKSA-N 0 1 346.387 2.795 20 5 EFBDMN CN(Cc1ccccc1)C1CN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000343636742 476095841 /nfs/dbraw/zinc/09/58/41/476095841.db2.gz URMWZSDNMBHEEB-UHFFFAOYSA-N 0 1 343.412 2.625 20 5 EFBDMN COC(=O)c1c(F)ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1F ZINC000362265868 476126256 /nfs/dbraw/zinc/12/62/56/476126256.db2.gz AVYIPJJDUFZSJB-UHFFFAOYSA-N 0 1 326.211 2.505 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000344260983 476194968 /nfs/dbraw/zinc/19/49/68/476194968.db2.gz WMVJUBLGVMBJQN-CQSZACIVSA-N 0 1 337.376 2.828 20 5 EFBDMN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000350487321 476208629 /nfs/dbraw/zinc/20/86/29/476208629.db2.gz ZHACHXBDSIKAGV-HOTGVXAUSA-N 0 1 349.431 2.695 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1 ZINC000338821213 476214380 /nfs/dbraw/zinc/21/43/80/476214380.db2.gz AGXQINDVRACEHJ-UHFFFAOYSA-N 0 1 344.249 2.988 20 5 EFBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000340704689 476219751 /nfs/dbraw/zinc/21/97/51/476219751.db2.gz GVNZHSSGQFRVSR-KRWDZBQOSA-N 0 1 339.395 2.989 20 5 EFBDMN COCC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000357089070 476221045 /nfs/dbraw/zinc/22/10/45/476221045.db2.gz NATHKWRTGULVCZ-ZDUSSCGKSA-N 0 1 344.327 2.572 20 5 EFBDMN Cc1cc(N2CCc3nc[nH]c(=O)c3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340769753 476261354 /nfs/dbraw/zinc/26/13/54/476261354.db2.gz CXDKXHZQOLFGKG-UHFFFAOYSA-N 0 1 337.339 2.510 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1cccnc1 ZINC000360582763 476309273 /nfs/dbraw/zinc/30/92/73/476309273.db2.gz IWRJHASBGRIAQA-OAHLLOKOSA-N 0 1 337.339 2.843 20 5 EFBDMN C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000362612738 476328191 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O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccccc1Cl ZINC000560261157 478037436 /nfs/dbraw/zinc/03/74/36/478037436.db2.gz PWJOUPNJTPTISY-CYBMUJFWSA-N 0 1 336.775 2.778 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000494697375 478048232 /nfs/dbraw/zinc/04/82/32/478048232.db2.gz COKWACNUNZDLJL-UHFFFAOYSA-N 0 1 340.339 2.718 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](c1ccco1)N(C)C ZINC000429204971 478079913 /nfs/dbraw/zinc/07/99/13/478079913.db2.gz KTRURJGXPMWEDQ-OAHLLOKOSA-N 0 1 347.371 2.998 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000421475886 478101437 /nfs/dbraw/zinc/10/14/37/478101437.db2.gz BHSGVCHNIGOEGH-UHFFFAOYSA-N 0 1 328.372 2.921 20 5 EFBDMN COc1c(C(=O)N2CCC(c3cn[nH]c3C)CC2)cccc1[N+](=O)[O-] ZINC000560811021 478135071 /nfs/dbraw/zinc/13/50/71/478135071.db2.gz FHKREGMQCBYBOO-UHFFFAOYSA-N 0 1 344.371 2.655 20 5 EFBDMN CC[C@@]1(O)CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000495229117 478147186 /nfs/dbraw/zinc/14/71/86/478147186.db2.gz NHFYZUSFWZPTRC-MEDUHNTESA-N 0 1 332.360 2.553 20 5 EFBDMN CC[C@]1(O)CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000495229116 478147366 /nfs/dbraw/zinc/14/73/66/478147366.db2.gz NHFYZUSFWZPTRC-BZNIZROVSA-N 0 1 332.360 2.553 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(N2CCN(CCc3ccccc3)CC2)c1 ZINC000518351339 478160698 /nfs/dbraw/zinc/16/06/98/478160698.db2.gz YYLTVFAPPHJSKS-UHFFFAOYSA-N 0 1 341.411 2.968 20 5 EFBDMN C[C@H](Cc1cnc[nH]1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518561261 478177010 /nfs/dbraw/zinc/17/70/10/478177010.db2.gz JRXPDIUXUOMAMP-SNVBAGLBSA-N 0 1 336.779 2.509 20 5 EFBDMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518561260 478177927 /nfs/dbraw/zinc/17/79/27/478177927.db2.gz JRXPDIUXUOMAMP-JTQLQIEISA-N 0 1 336.779 2.509 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451726927 478180438 /nfs/dbraw/zinc/18/04/38/478180438.db2.gz WVZYLZRVCYVNPR-CQSZACIVSA-N 0 1 345.403 2.561 20 5 EFBDMN CC[C@@H]1CN(CC)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000451731083 478182436 /nfs/dbraw/zinc/18/24/36/478182436.db2.gz QGXIRSGENCITMU-CQSZACIVSA-N 0 1 345.403 2.561 20 5 EFBDMN C[C@H](C(=O)Nc1cc(CN(C)C)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000518641911 478182785 /nfs/dbraw/zinc/18/27/85/478182785.db2.gz PBFXSKXNDXYGMJ-LBPRGKRZSA-N 0 1 328.372 2.794 20 5 EFBDMN COc1cc(CN(C)[C@H](CO)CC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000451777050 478200026 /nfs/dbraw/zinc/20/00/26/478200026.db2.gz BGZQLJCDBJIROX-LBPRGKRZSA-N 0 1 328.384 2.971 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H](CO)CC(C)(C)C ZINC000451785874 478203292 /nfs/dbraw/zinc/20/32/92/478203292.db2.gz VWGAOHDMRJYJAY-AWEZNQCLSA-N 0 1 337.420 2.571 20 5 EFBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CN(C)Cc2ccccc21 ZINC000535265745 478205547 /nfs/dbraw/zinc/20/55/47/478205547.db2.gz MMBAXUWVCCXNLN-KRWDZBQOSA-N 0 1 340.383 2.553 20 5 EFBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)n[nH]1 ZINC000562354716 478237303 /nfs/dbraw/zinc/23/73/03/478237303.db2.gz GFEWCDRHFSDTOV-NXEZZACHSA-N 0 1 346.391 2.759 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000489376397 478238884 /nfs/dbraw/zinc/23/88/84/478238884.db2.gz WGECGSFDPOSGGU-KRWDZBQOSA-N 0 1 348.447 2.586 20 5 EFBDMN COC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000519713936 478252234 /nfs/dbraw/zinc/25/22/34/478252234.db2.gz XWISINZQTWZHIB-GUYCJALGSA-N 0 1 336.388 2.777 20 5 EFBDMN O=C([O-])c1cccc2c1CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000519783001 478259975 /nfs/dbraw/zinc/25/99/75/478259975.db2.gz WGCNDXMNRFPVLL-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4ncccc4c3)CC2)cn1 ZINC000536638590 478264873 /nfs/dbraw/zinc/26/48/73/478264873.db2.gz UIKLOATTWRPMRQ-UHFFFAOYSA-N 0 1 349.394 2.860 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1C[C@@H](C3CC3)[C@H]1C1CC1)OCCO2 ZINC000590660148 478279505 /nfs/dbraw/zinc/27/95/05/478279505.db2.gz FJIZSLIPFMSQFY-KBXCAEBGSA-N 0 1 330.384 2.986 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCSC3(CCC3)CC2)c1[N+](=O)[O-] ZINC000520190429 478280421 /nfs/dbraw/zinc/28/04/21/478280421.db2.gz UKFMRDZBXDREPB-UHFFFAOYSA-N 0 1 338.433 2.943 20 5 EFBDMN CCN1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C[C@H]1C ZINC000590695553 478294766 /nfs/dbraw/zinc/29/47/66/478294766.db2.gz BTAQTDRLUSOVSB-GFCCVEGCSA-N 0 1 330.388 2.682 20 5 EFBDMN O=C(NCc1noc2ccccc12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000520301834 478295214 /nfs/dbraw/zinc/29/52/14/478295214.db2.gz YRGIMINMVHNXPV-UHFFFAOYSA-N 0 1 337.295 2.542 20 5 EFBDMN COc1ccc(OCCN(C)Cc2ccc(C)cn2)c([N+](=O)[O-])c1 ZINC000590754532 478320488 /nfs/dbraw/zinc/32/04/88/478320488.db2.gz KTFZIKUYWGKGQZ-UHFFFAOYSA-N 0 1 331.372 2.818 20 5 EFBDMN Cc1cc(CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000590806574 478348671 /nfs/dbraw/zinc/34/86/71/478348671.db2.gz XLXMXYQRHNYCOJ-CQSZACIVSA-N 0 1 343.387 2.716 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](OC3CCC3)C2)c1[N+](=O)[O-] ZINC000594386283 478354266 /nfs/dbraw/zinc/35/42/66/478354266.db2.gz BUEYRKKHOJSBSB-LBPRGKRZSA-N 0 1 336.392 2.615 20 5 EFBDMN CCC(C)(C)N1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000594388857 478355006 /nfs/dbraw/zinc/35/50/06/478355006.db2.gz BUAHWDWORYALMN-UHFFFAOYSA-N 0 1 334.420 2.583 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2Cc3cc(F)c(F)cc3C2)c1[N+](=O)[O-] ZINC000594398563 478363870 /nfs/dbraw/zinc/36/38/70/478363870.db2.gz DPCTWAMFIANGCH-UHFFFAOYSA-N 0 1 336.298 2.705 20 5 EFBDMN CC[C@@H](NCc1n[nH]c([C@H]2CCCO2)n1)c1cccc([N+](=O)[O-])c1 ZINC000594507292 478417060 /nfs/dbraw/zinc/41/70/60/478417060.db2.gz CFTDGGLSWIAQOQ-ZIAGYGMSSA-N 0 1 331.376 2.805 20 5 EFBDMN Cc1c([C@H](C)NCc2n[nH]c([C@@H]3CCCO3)n2)cccc1[N+](=O)[O-] ZINC000594511405 478419139 /nfs/dbraw/zinc/41/91/39/478419139.db2.gz MWPDAUBFUYXUEB-FZMZJTMJSA-N 0 1 331.376 2.724 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000594511777 478419365 /nfs/dbraw/zinc/41/93/65/478419365.db2.gz OTHNSWQZPPGALF-BXUZGUMPSA-N 0 1 331.376 2.724 20 5 EFBDMN Cc1c([C@H](C)NCc2n[nH]c([C@H]3CCCO3)n2)cccc1[N+](=O)[O-] ZINC000594511407 478420439 /nfs/dbraw/zinc/42/04/39/478420439.db2.gz MWPDAUBFUYXUEB-SMDDNHRTSA-N 0 1 331.376 2.724 20 5 EFBDMN CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597603436 478428063 /nfs/dbraw/zinc/42/80/63/478428063.db2.gz BUYRHPWJZFLMDD-NSHDSACASA-N 0 1 341.795 2.510 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4nc[nH]c4c3)C2)nc1 ZINC000539838784 478445191 /nfs/dbraw/zinc/44/51/91/478445191.db2.gz YHUCISLQVNKEEE-CYBMUJFWSA-N 0 1 338.371 2.553 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc4nc[nH]c4c3)C2)nc1 ZINC000539838784 478445200 /nfs/dbraw/zinc/44/52/00/478445200.db2.gz YHUCISLQVNKEEE-CYBMUJFWSA-N 0 1 338.371 2.553 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594585643 478449093 /nfs/dbraw/zinc/44/90/93/478449093.db2.gz NEXNQGOXTPJWAL-HNNXBMFYSA-N 0 1 334.372 2.827 20 5 EFBDMN Cc1cccc(NCCNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)[nH+]1 ZINC000563204513 478480456 /nfs/dbraw/zinc/48/04/56/478480456.db2.gz NTJZHBHATHABKO-UHFFFAOYSA-N 0 1 330.344 2.829 20 5 EFBDMN O=C([O-])[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000591269588 478503458 /nfs/dbraw/zinc/50/34/58/478503458.db2.gz FZTGYRXLHFVJKW-CQSZACIVSA-N 0 1 348.380 2.609 20 5 EFBDMN O=C([O-])[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000591269588 478503466 /nfs/dbraw/zinc/50/34/66/478503466.db2.gz FZTGYRXLHFVJKW-CQSZACIVSA-N 0 1 348.380 2.609 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]1(C)C(=O)[O-] ZINC000582127828 478517963 /nfs/dbraw/zinc/51/79/63/478517963.db2.gz KVLAXFVMYPQQPT-DIFFPNOSSA-N 0 1 345.355 2.792 20 5 EFBDMN Cc1ccc(-c2cnn(C[C@H]3CN(C(C)C)CCO3)c2)cc1[N+](=O)[O-] ZINC000600789521 478521735 /nfs/dbraw/zinc/52/17/35/478521735.db2.gz FRGVWYRZBJYOTG-QGZVFWFLSA-N 0 1 344.415 2.876 20 5 EFBDMN C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1C(=O)[O-] ZINC000600799077 478527280 /nfs/dbraw/zinc/52/72/80/478527280.db2.gz CZPOOOUBMBNCJJ-CABZTGNLSA-N 0 1 344.314 2.739 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1C[C@@H]2CCCC[C@@H]21 ZINC000597830142 478532009 /nfs/dbraw/zinc/53/20/09/478532009.db2.gz SGQPWUQZIQKMAC-LRDDRELGSA-N 0 1 326.356 3.000 20 5 EFBDMN CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCC(C(=O)[O-])CC1 ZINC000571181373 478540716 /nfs/dbraw/zinc/54/07/16/478540716.db2.gz XDHVYMBAFIRKEE-UHFFFAOYSA-N 0 1 336.388 2.939 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000563537437 478582866 /nfs/dbraw/zinc/58/28/66/478582866.db2.gz MBIRFKZKXMXHPQ-UKRRQHHQSA-N 0 1 345.399 2.746 20 5 EFBDMN CC(C)[C@H]1CNCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600965820 478589277 /nfs/dbraw/zinc/58/92/77/478589277.db2.gz BUYMDIPTOCVLDJ-CYBMUJFWSA-N 0 1 326.784 2.710 20 5 EFBDMN CCC(O)(CC)C(C)(C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000597943709 478589418 /nfs/dbraw/zinc/58/94/18/478589418.db2.gz FARRSTKECDYJIQ-UHFFFAOYSA-N 0 1 348.403 2.778 20 5 EFBDMN CN(CCC[N@@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000571448928 478599197 /nfs/dbraw/zinc/59/91/97/478599197.db2.gz BTQJLFUELJXVQD-UHFFFAOYSA-N 0 1 347.371 2.844 20 5 EFBDMN CC(C)c1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])on1 ZINC000591742275 478618734 /nfs/dbraw/zinc/61/87/34/478618734.db2.gz NNZQOSKGAPNJCK-UHFFFAOYSA-N 0 1 332.360 2.825 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)COc1ccccc1 ZINC000595004547 478624968 /nfs/dbraw/zinc/62/49/68/478624968.db2.gz UAMZCCKHAHHXGE-UKRRQHHQSA-N 0 1 346.383 2.694 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC(=O)Nc1ccccn1 ZINC000595005107 478625672 /nfs/dbraw/zinc/62/56/72/478625672.db2.gz CSHUSIXIBAMPFP-LBPRGKRZSA-N 0 1 344.371 2.678 20 5 EFBDMN O=[N+]([O-])c1cc(Br)ccc1CN1CCc2cn[nH]c2C1 ZINC000591845291 478647978 /nfs/dbraw/zinc/64/79/78/478647978.db2.gz JCUYHWHDJODSHG-UHFFFAOYSA-N 0 1 337.177 2.639 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC=C(c2cccnc2)C1 ZINC000564068055 478688891 /nfs/dbraw/zinc/68/88/91/478688891.db2.gz TVCCKIPJHTYBOU-UHFFFAOYSA-N 0 1 349.350 2.796 20 5 EFBDMN O=[N+]([O-])c1ccccc1CNCc1ccnc(N2CCSCC2)c1 ZINC000601152693 478691402 /nfs/dbraw/zinc/69/14/02/478691402.db2.gz QDEHKWZCGQEKHQ-UHFFFAOYSA-N 0 1 344.440 2.833 20 5 EFBDMN COc1ccccc1C[C@@](C)(CO)NCc1csc([N+](=O)[O-])c1 ZINC000601153452 478693148 /nfs/dbraw/zinc/69/31/48/478693148.db2.gz OCERAUIEDOLUNC-INIZCTEOSA-N 0 1 336.413 2.748 20 5 EFBDMN CCOC(=O)Cc1ccc(NCc2n[nH]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000591945225 478718228 /nfs/dbraw/zinc/71/82/28/478718228.db2.gz QJGCNZICZVZEII-UHFFFAOYSA-N 0 1 347.375 2.554 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000598301261 478752706 /nfs/dbraw/zinc/75/27/06/478752706.db2.gz WPANKLMRHSWPEK-INIZCTEOSA-N 0 1 334.372 2.722 20 5 EFBDMN Cc1c([C@@H](C)NC[C@H](n2cncn2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000601295392 478768898 /nfs/dbraw/zinc/76/88/98/478768898.db2.gz VONWULQERXSZER-MFKMUULPSA-N 0 1 343.309 2.949 20 5 EFBDMN C[C@H](NC[C@H](n1cncn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601294494 478769421 /nfs/dbraw/zinc/76/94/21/478769421.db2.gz OWKVCCFRRRCVMF-CABZTGNLSA-N 0 1 329.282 2.641 20 5 EFBDMN O=C1Nc2ccccc2[C@@]12CCN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595450655 478792777 /nfs/dbraw/zinc/79/27/77/478792777.db2.gz VGTXMGBNMPIKPV-SFHVURJKSA-N 0 1 341.342 2.830 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN[C@@H](CCO)c2ccccc2F)cc1 ZINC000592161155 478805527 /nfs/dbraw/zinc/80/55/27/478805527.db2.gz OIQDARHVKPQPCM-KRWDZBQOSA-N 0 1 334.347 2.826 20 5 EFBDMN Cc1noc(CN2CCCN3c4ccccc4C[C@@H]3C2)c1[N+](=O)[O-] ZINC000595488731 478816126 /nfs/dbraw/zinc/81/61/26/478816126.db2.gz IMWFWWZKVNOACL-CQSZACIVSA-N 0 1 328.372 2.528 20 5 EFBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC2(C[C@H]1C)CCOCC2 ZINC000592184032 478817234 /nfs/dbraw/zinc/81/72/34/478817234.db2.gz XRECKWRLOYNLPV-ZIAGYGMSSA-N 0 1 347.415 2.813 20 5 EFBDMN CC(C)(C[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1)C(N)=O ZINC000595518751 478830542 /nfs/dbraw/zinc/83/05/42/478830542.db2.gz GFPISQOXVAZQJH-GFCCVEGCSA-N 0 1 337.395 2.848 20 5 EFBDMN CC(C)(C[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1)C(N)=O ZINC000595518825 478831085 /nfs/dbraw/zinc/83/10/85/478831085.db2.gz GFPISQOXVAZQJH-LBPRGKRZSA-N 0 1 337.395 2.848 20 5 EFBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](CO)Cc1ccccc1 ZINC000595592224 478872731 /nfs/dbraw/zinc/87/27/31/478872731.db2.gz NGQVYEGQGJSXAT-OAHLLOKOSA-N 0 1 340.383 2.507 20 5 EFBDMN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1Cc1ccccc1 ZINC000598512400 478873050 /nfs/dbraw/zinc/87/30/50/478873050.db2.gz ZIQYDDFTOOCARL-KRWDZBQOSA-N 0 1 339.395 2.528 20 5 EFBDMN COc1cc(CN(C)[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000595592836 478874767 /nfs/dbraw/zinc/87/47/67/478874767.db2.gz RLUOUJAFWYFJTK-HNNXBMFYSA-N 0 1 348.374 2.778 20 5 EFBDMN COCCn1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000507152167 478906771 /nfs/dbraw/zinc/90/67/71/478906771.db2.gz PRPXRTJKZYSYKM-UHFFFAOYSA-N 0 1 332.404 2.848 20 5 EFBDMN CC(C)c1ccc2c(c1)CN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000595659228 478921442 /nfs/dbraw/zinc/92/14/42/478921442.db2.gz YJLAPEKJQLGVIU-UHFFFAOYSA-N 0 1 341.411 2.938 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)C=Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000492312806 478923587 /nfs/dbraw/zinc/92/35/87/478923587.db2.gz MWKNYOUTCAPEJF-TYBABMIJSA-N 0 1 329.360 2.727 20 5 EFBDMN C[C@H](CO)[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595670666 478925648 /nfs/dbraw/zinc/92/56/48/478925648.db2.gz HVQLMQMOOAEFGS-IUODEOHRSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CCO ZINC000595704837 478948316 /nfs/dbraw/zinc/94/83/16/478948316.db2.gz WGHQQEQVTSGQES-IUODEOHRSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000565217517 478954577 /nfs/dbraw/zinc/95/45/77/478954577.db2.gz LZWOEVSQWVCESN-GUYCJALGSA-N 0 1 339.395 2.877 20 5 EFBDMN COc1ccc([C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)cc1F ZINC000595754151 478976806 /nfs/dbraw/zinc/97/68/06/478976806.db2.gz VNNXYTWPZNGCBF-AWEZNQCLSA-N 0 1 334.351 2.776 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595822288 479016816 /nfs/dbraw/zinc/01/68/16/479016816.db2.gz PNTVTCDEAOACIV-UHFFFAOYSA-N 0 1 332.400 2.865 20 5 EFBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC2(CCCC2)O1 ZINC000592736703 479019758 /nfs/dbraw/zinc/01/97/58/479019758.db2.gz SVWORMIZSJCJDW-NSHDSACASA-N 0 1 344.371 2.645 20 5 EFBDMN Cc1cccc(CN2CC[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)c1 ZINC000601849874 479038853 /nfs/dbraw/zinc/03/88/53/479038853.db2.gz LDXYXHOKUNMNSF-HNNXBMFYSA-N 0 1 345.424 2.969 20 5 EFBDMN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000573365312 479049557 /nfs/dbraw/zinc/04/95/57/479049557.db2.gz UMNJHUBBWGYNFG-CYBMUJFWSA-N 0 1 333.388 2.567 20 5 EFBDMN CC(C)O[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000592815824 479056445 /nfs/dbraw/zinc/05/64/45/479056445.db2.gz KWADTJKHMFUQGQ-CQSZACIVSA-N 0 1 344.371 2.624 20 5 EFBDMN CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCN(C)C1 ZINC000592830925 479064733 /nfs/dbraw/zinc/06/47/33/479064733.db2.gz IGBPJMWFQUTEHS-AWEZNQCLSA-N 0 1 331.372 2.897 20 5 EFBDMN CC[C@@](C)(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000514914061 479088472 /nfs/dbraw/zinc/08/84/72/479088472.db2.gz OTVZVXOAGFCQQF-GFCCVEGCSA-N 0 1 330.266 2.932 20 5 EFBDMN Cc1cc(-c2noc([C@H]3CCCc4nn[nH]c43)n2)cc([N+](=O)[O-])c1 ZINC000596002720 479090872 /nfs/dbraw/zinc/09/08/72/479090872.db2.gz MDOPARPMSMBZRW-NSHDSACASA-N 0 1 326.316 2.540 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCCc3nn[nH]c32)n1 ZINC000596001365 479091533 /nfs/dbraw/zinc/09/15/33/479091533.db2.gz DHOAGAUPQMCKSO-NSHDSACASA-N 0 1 326.316 2.540 20 5 EFBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000584356522 479108955 /nfs/dbraw/zinc/10/89/55/479108955.db2.gz QFSZNEJOBIVGCH-BXUZGUMPSA-N 0 1 345.355 2.587 20 5 EFBDMN C[C@@H]1CCN(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000548039801 479122600 /nfs/dbraw/zinc/12/26/00/479122600.db2.gz CWMLTKYDYNCQJQ-CQSZACIVSA-N 0 1 349.434 2.753 20 5 EFBDMN CC[NH+]1CCN(C[C@@H](C)CNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596082161 479128228 /nfs/dbraw/zinc/12/82/28/479128228.db2.gz MQJWHWGMRDCGNL-LBPRGKRZSA-N 0 1 326.466 2.650 20 5 EFBDMN COc1ccnc(N2CCN(c3cc(C)sc3[N+](=O)[O-])CC2)c1 ZINC000596113278 479147168 /nfs/dbraw/zinc/14/71/68/479147168.db2.gz SKMVXELHKXNSHW-UHFFFAOYSA-N 0 1 334.401 2.695 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)CO1 ZINC000593063181 479151773 /nfs/dbraw/zinc/15/17/73/479151773.db2.gz RCFZKVGQNPSLIO-JSGCOSHPSA-N 0 1 335.404 2.731 20 5 EFBDMN CC[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)CO1 ZINC000593063269 479152187 /nfs/dbraw/zinc/15/21/87/479152187.db2.gz SYMNKPKNOPYHDT-DZGCQCFKSA-N 0 1 335.404 2.731 20 5 EFBDMN CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)CO1 ZINC000593063694 479152750 /nfs/dbraw/zinc/15/27/50/479152750.db2.gz VBRJDXRWHBBMPC-HIFRSBDPSA-N 0 1 335.404 2.731 20 5 EFBDMN CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)CO1 ZINC000593063696 479153668 /nfs/dbraw/zinc/15/36/68/479153668.db2.gz VBRJDXRWHBBMPC-UKRRQHHQSA-N 0 1 335.404 2.731 20 5 EFBDMN COc1cc(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000569734264 479166313 /nfs/dbraw/zinc/16/63/13/479166313.db2.gz YGXUBXKMKBFOKZ-KRWDZBQOSA-N 0 1 342.351 2.787 20 5 EFBDMN C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000573924400 479174651 /nfs/dbraw/zinc/17/46/51/479174651.db2.gz SEGVPAGWMTYMSU-LBPRGKRZSA-N 0 1 333.388 2.604 20 5 EFBDMN CN1CCCC[C@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602106625 479180036 /nfs/dbraw/zinc/18/00/36/479180036.db2.gz DRRZKNBXFZKJAY-GOEBONIOSA-N 0 1 335.429 2.653 20 5 EFBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC(F)(F)C1 ZINC000610785462 479186329 /nfs/dbraw/zinc/18/63/29/479186329.db2.gz VUXMVTTUYBRGFV-SSDOTTSWSA-N 0 1 340.735 2.714 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000574042816 479204786 /nfs/dbraw/zinc/20/47/86/479204786.db2.gz PYSSCRYFEUYWGZ-NHYWBVRUSA-N 0 1 344.371 2.502 20 5 EFBDMN C[C@@H](c1ccc(C(=O)[O-])o1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000569981735 479220840 /nfs/dbraw/zinc/22/08/40/479220840.db2.gz PQPSMJKPBBSRSN-LBPRGKRZSA-N 0 1 345.355 2.769 20 5 EFBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)c1 ZINC000593186930 479228975 /nfs/dbraw/zinc/22/89/75/479228975.db2.gz BKIJGONLOBTGRH-IJLUTSLNSA-N 0 1 337.445 2.870 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000593189639 479230142 /nfs/dbraw/zinc/23/01/42/479230142.db2.gz WNBMKHLTFFSANT-JHJVBQTASA-N 0 1 337.445 2.626 20 5 EFBDMN C[C@@H]1[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000593189260 479230221 /nfs/dbraw/zinc/23/02/21/479230221.db2.gz ZIYFAJCYNNXZND-AXFHLTTASA-N 0 1 325.796 2.801 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000593188231 479231075 /nfs/dbraw/zinc/23/10/75/479231075.db2.gz ZDAVJITUFIDNCR-JHJVBQTASA-N 0 1 346.431 2.722 20 5 EFBDMN C[C@@H]1[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000593190525 479231497 /nfs/dbraw/zinc/23/14/97/479231497.db2.gz MFZQFBFUPLRLBP-KSWINOGPSA-N 0 1 331.416 2.638 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)F)ccc1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000596267141 479231650 /nfs/dbraw/zinc/23/16/50/479231650.db2.gz XBZHYXXARNACCC-TXEJJXNPSA-N 0 1 327.331 2.808 20 5 EFBDMN CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611082423 479279141 /nfs/dbraw/zinc/27/91/41/479279141.db2.gz DDVLIQQFPGFNSG-SNVBAGLBSA-N 0 1 326.784 2.806 20 5 EFBDMN CCN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000611172084 479301396 /nfs/dbraw/zinc/30/13/96/479301396.db2.gz QIPHRPMBBXKITK-ZDUSSCGKSA-N 0 1 330.388 2.776 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]1[C@@H]1CCCO1)OCCO2 ZINC000585767836 479323848 /nfs/dbraw/zinc/32/38/48/479323848.db2.gz IVUBSIXKNZGXEU-HIFRSBDPSA-N 0 1 334.372 2.509 20 5 EFBDMN O=C(NC[C@@H]1CCN1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000596514669 479324427 /nfs/dbraw/zinc/32/44/27/479324427.db2.gz XTZATFXFVOWLGE-KRWDZBQOSA-N 0 1 340.383 2.991 20 5 EFBDMN CC(C)c1ccc(CN2CCN(C(C)(C)CO)CC2)cc1[N+](=O)[O-] ZINC000611272328 479332475 /nfs/dbraw/zinc/33/24/75/479332475.db2.gz XDGLRUMPFKYPHH-UHFFFAOYSA-N 0 1 335.448 2.607 20 5 EFBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCN1Cc1ccccc1 ZINC000596558256 479338776 /nfs/dbraw/zinc/33/87/76/479338776.db2.gz PMBLQXDAPWRYNU-OAHLLOKOSA-N 0 1 329.404 2.806 20 5 EFBDMN O=[N+]([O-])c1cccc(N2CCN(Cc3ccc4nccnc4c3)CC2)c1 ZINC000602453282 479340484 /nfs/dbraw/zinc/34/04/84/479340484.db2.gz JWOHWMXAUNNAFS-UHFFFAOYSA-N 0 1 349.394 2.860 20 5 EFBDMN O=C1[C@@H](N2CCC3(CCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000586783083 479352937 /nfs/dbraw/zinc/35/29/37/479352937.db2.gz VCHIHTSDVFVNRJ-INIZCTEOSA-N 0 1 329.400 2.966 20 5 EFBDMN Cn1ccnc1[C@H](N[C@H]1CC[C@@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000586790702 479355165 /nfs/dbraw/zinc/35/51/65/479355165.db2.gz WQDWJVADHNYLPX-UKPHBRMFSA-N 0 1 344.415 2.558 20 5 EFBDMN Cc1cc(N2CCC(N3CCOC[C@H]3C)CC2)c([N+](=O)[O-])s1 ZINC000603404438 479374234 /nfs/dbraw/zinc/37/42/34/479374234.db2.gz ZGSGJLSGPOSXJN-LLVKDONJSA-N 0 1 325.434 2.654 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CNCCCOCC(F)(F)F)nc2c1 ZINC000602509273 479375203 /nfs/dbraw/zinc/37/52/03/479375203.db2.gz QRLCITFXYDZPCP-UHFFFAOYSA-N 0 1 333.266 2.795 20 5 EFBDMN COC(=O)c1csc(CNCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000602532228 479383826 /nfs/dbraw/zinc/38/38/26/479383826.db2.gz RXYYAAZQOWPMRO-UHFFFAOYSA-N 0 1 336.369 2.741 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCOC[C@@H]1CCOC1 ZINC000602535731 479387117 /nfs/dbraw/zinc/38/71/17/479387117.db2.gz QTPGQYCSYICADO-LLVKDONJSA-N 0 1 348.321 2.756 20 5 EFBDMN CCC(O)(CC)CN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599683083 479389027 /nfs/dbraw/zinc/38/90/27/479389027.db2.gz UGTMYZNVQZWKEE-UHFFFAOYSA-N 0 1 334.376 2.628 20 5 EFBDMN Cc1cc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n[nH]1 ZINC000603488744 479392952 /nfs/dbraw/zinc/39/29/52/479392952.db2.gz VCPFACVTOZOOHB-UHFFFAOYSA-N 0 1 346.390 2.503 20 5 EFBDMN CSC[C@@H](CCO)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602555139 479395767 /nfs/dbraw/zinc/39/57/67/479395767.db2.gz COPJFYHRYYMLHY-LLVKDONJSA-N 0 1 338.351 2.817 20 5 EFBDMN C[N@H+]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])[C@@H](c2ccccc2)C1 ZINC000599713720 479403538 /nfs/dbraw/zinc/40/35/38/479403538.db2.gz LVNVRHUUDYQYRG-CABCVRRESA-N 0 1 341.367 2.584 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCC(CCCN3CCOCC3)CC2)s1 ZINC000611539852 479409176 /nfs/dbraw/zinc/40/91/76/479409176.db2.gz MEIBGIGZODZEEC-UHFFFAOYSA-N 0 1 339.461 2.985 20 5 EFBDMN O=[N+]([O-])c1sccc1N1CCC(CCCN2CCOCC2)CC1 ZINC000611539853 479409284 /nfs/dbraw/zinc/40/92/84/479409284.db2.gz MGAJQOAUQGTTHF-UHFFFAOYSA-N 0 1 339.461 2.985 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000611555487 479413069 /nfs/dbraw/zinc/41/30/69/479413069.db2.gz MVJPGXOQCOBQJE-INIZCTEOSA-N 0 1 328.324 2.983 20 5 EFBDMN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556956 479414870 /nfs/dbraw/zinc/41/48/70/479414870.db2.gz JQFILQYUACXETF-OAHLLOKOSA-N 0 1 344.323 2.563 20 5 EFBDMN O=C(N[C@@H]1COc2c1cccc2Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611558806 479415482 /nfs/dbraw/zinc/41/54/82/479415482.db2.gz SHGJXEQCQLDQBM-CYBMUJFWSA-N 0 1 334.715 2.817 20 5 EFBDMN CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000602630008 479435528 /nfs/dbraw/zinc/43/55/28/479435528.db2.gz RSBBGMHOLULRPD-UHFFFAOYSA-N 0 1 348.321 2.587 20 5 EFBDMN COCC[N@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593729234 479436708 /nfs/dbraw/zinc/43/67/08/479436708.db2.gz RWFRBPSEXHZHOC-UHFFFAOYSA-N 0 1 344.367 2.942 20 5 EFBDMN COCC[N@@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593729234 479436714 /nfs/dbraw/zinc/43/67/14/479436714.db2.gz RWFRBPSEXHZHOC-UHFFFAOYSA-N 0 1 344.367 2.942 20 5 EFBDMN CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593743530 479443656 /nfs/dbraw/zinc/44/36/56/479443656.db2.gz INHLDPABSOKHHA-PBHICJAKSA-N 0 1 336.388 2.928 20 5 EFBDMN CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000593743532 479443797 /nfs/dbraw/zinc/44/37/97/479443797.db2.gz INHLDPABSOKHHA-WMLDXEAASA-N 0 1 336.388 2.928 20 5 EFBDMN COc1cc(C[N@@H+](CCc2ccccc2)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000593747109 479444636 /nfs/dbraw/zinc/44/46/36/479444636.db2.gz SGRVNUDLZHKXKQ-UHFFFAOYSA-N 0 1 344.367 2.733 20 5 EFBDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593745802 479445057 /nfs/dbraw/zinc/44/50/57/479445057.db2.gz CKPGFAADCXCXRT-UHFFFAOYSA-N 0 1 333.344 2.935 20 5 EFBDMN COc1cc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000593748532 479445884 /nfs/dbraw/zinc/44/58/84/479445884.db2.gz PPPOJCXJZUOPQQ-ZDUSSCGKSA-N 0 1 336.388 2.926 20 5 EFBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593748476 479445992 /nfs/dbraw/zinc/44/59/92/479445992.db2.gz NWGYOILMFWWXLB-LLVKDONJSA-N 0 1 346.387 2.794 20 5 EFBDMN COc1cc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000593748530 479446113 /nfs/dbraw/zinc/44/61/13/479446113.db2.gz PPPOJCXJZUOPQQ-CYBMUJFWSA-N 0 1 336.388 2.926 20 5 EFBDMN O=C([O-])c1cccc2c1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000593752379 479446966 /nfs/dbraw/zinc/44/69/66/479446966.db2.gz KDPBLXGMBOPGQY-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN O=C1Nc2ccccc2[C@]12CCN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000614583883 479449550 /nfs/dbraw/zinc/44/95/50/479449550.db2.gz QWQQHVVRVDJOFM-GOSISDBHSA-N 0 1 341.342 2.830 20 5 EFBDMN C[S@@](=O)C1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602650746 479449663 /nfs/dbraw/zinc/44/96/63/479449663.db2.gz GXEYFHGLQGOVKS-JOCHJYFZSA-N 0 1 336.335 2.614 20 5 EFBDMN CC(C)c1nc([C@@H](C)Nc2ncnc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000611713209 479455198 /nfs/dbraw/zinc/45/51/98/479455198.db2.gz ZYGSHALWBFVUBS-SECBINFHSA-N 0 1 327.348 2.953 20 5 EFBDMN COCCc1ncc(CN(C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000602659990 479455930 /nfs/dbraw/zinc/45/59/30/479455930.db2.gz ZVDKYILFHNYBTQ-UHFFFAOYSA-N 0 1 335.429 2.915 20 5 EFBDMN CC[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)CO1 ZINC000593808909 479468081 /nfs/dbraw/zinc/46/80/81/479468081.db2.gz SZFRKDYEAJVWRW-FZMZJTMJSA-N 0 1 344.371 2.624 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)N2CCNC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599920185 479471258 /nfs/dbraw/zinc/47/12/58/479471258.db2.gz HQUXWFNYBMPUPN-XJKSGUPXSA-N 0 1 334.420 2.604 20 5 EFBDMN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCc2nc[nH]c2C1 ZINC000599951176 479479201 /nfs/dbraw/zinc/47/92/01/479479201.db2.gz AXHZEHPIVOOVEQ-UHFFFAOYSA-N 0 1 340.261 2.535 20 5 EFBDMN Cc1cc([C@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)on1 ZINC000604240179 479491776 /nfs/dbraw/zinc/49/17/76/479491776.db2.gz QVKNIGWAKKZJNK-CYBMUJFWSA-N 0 1 341.327 2.745 20 5 EFBDMN O=[N+]([O-])c1ccccc1N1CCN(Cc2cccc3n[nH]cc32)CC1 ZINC000600106890 479520012 /nfs/dbraw/zinc/52/00/12/479520012.db2.gz MZEHKLAWOTZPPY-UHFFFAOYSA-N 0 1 337.383 2.793 20 5 EFBDMN Cc1cc(N(C)CC(=O)N2CCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611918410 479520956 /nfs/dbraw/zinc/52/09/56/479520956.db2.gz GQWWKEBNOBSBAT-UHFFFAOYSA-N 0 1 328.372 2.510 20 5 EFBDMN COc1ccc(NC(=O)CN[C@@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611939795 479526709 /nfs/dbraw/zinc/52/67/09/479526709.db2.gz OLBOCOIYSKNOON-LBPRGKRZSA-N 0 1 344.371 2.596 20 5 EFBDMN Cc1ccncc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611938964 479526832 /nfs/dbraw/zinc/52/68/32/479526832.db2.gz DCZVIHLHPZGXGG-OLZOCXBDSA-N 0 1 328.372 2.976 20 5 EFBDMN Cc1ccncc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611939334 479527159 /nfs/dbraw/zinc/52/71/59/479527159.db2.gz INMFVINJHRRLHG-OLZOCXBDSA-N 0 1 328.372 2.976 20 5 EFBDMN Cc1ccncc1[C@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611938858 479527482 /nfs/dbraw/zinc/52/74/82/479527482.db2.gz LBQAWKFSPDWDIG-GUYCJALGSA-N 0 1 340.383 2.754 20 5 EFBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC3(CCOCC3)CC2)c1 ZINC000589518131 479537799 /nfs/dbraw/zinc/53/77/99/479537799.db2.gz ZUWFMDCIKXFHKM-UHFFFAOYSA-N 0 1 348.399 2.774 20 5 EFBDMN Cc1ccc(CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000612059231 479566455 /nfs/dbraw/zinc/56/64/55/479566455.db2.gz DOGAVMMCWASNCA-HNNXBMFYSA-N 0 1 346.383 2.901 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000600182792 479568109 /nfs/dbraw/zinc/56/81/09/479568109.db2.gz HXOQVAMLBQGSCD-IUCAKERBSA-N 0 1 330.335 2.634 20 5 EFBDMN CC(C)(CO)[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cccnc1 ZINC000590374819 479635843 /nfs/dbraw/zinc/63/58/43/479635843.db2.gz STGALWWLTUXXSE-INIZCTEOSA-N 0 1 331.372 2.545 20 5 EFBDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000590421301 479644117 /nfs/dbraw/zinc/64/41/17/479644117.db2.gz MXRSCOCGAIPQAZ-SMDDNHRTSA-N 0 1 328.372 2.642 20 5 EFBDMN COc1cc(NCCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1C ZINC000590568766 479661574 /nfs/dbraw/zinc/66/15/74/479661574.db2.gz BVXZKZJVUGXSHS-ZIAGYGMSSA-N 0 1 337.420 2.823 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC2(CCOCC2)[C@H]1C ZINC000612540184 479688761 /nfs/dbraw/zinc/68/87/61/479688761.db2.gz DYKRZGGPCVKQAF-CQSZACIVSA-N 0 1 347.415 2.733 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc3n[nH]cc32)c1 ZINC000612599685 479706275 /nfs/dbraw/zinc/70/62/75/479706275.db2.gz SONSYKKFRDYXMG-UHFFFAOYSA-N 0 1 346.368 2.889 20 5 EFBDMN CCCC[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000609574587 480178939 /nfs/dbraw/zinc/17/89/39/480178939.db2.gz ZLXGTOANJUZVLT-HNNXBMFYSA-N 0 1 346.387 2.600 20 5 EFBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCOC1 ZINC000609631688 480192091 /nfs/dbraw/zinc/19/20/91/480192091.db2.gz NWMCMDIVWMIZBQ-NSHDSACASA-N 0 1 341.795 2.545 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000609708864 480197972 /nfs/dbraw/zinc/19/79/72/480197972.db2.gz OVXYNERWESUINM-HNNXBMFYSA-N 0 1 339.823 2.545 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](CCO)C1 ZINC000609848917 480212463 /nfs/dbraw/zinc/21/24/63/480212463.db2.gz OMATZTMYDZEYCQ-STQMWFEESA-N 0 1 346.387 2.800 20 5 EFBDMN C[C@H](CN1CCN(c2ccccc2)CC1)Nc1cccnc1[N+](=O)[O-] ZINC000610279194 480269853 /nfs/dbraw/zinc/26/98/53/480269853.db2.gz DPHUIQBGCBJGQH-OAHLLOKOSA-N 0 1 341.415 2.612 20 5 EFBDMN O=[N+]([O-])c1cnc(N[C@H]2CCN(CC3CC3)C2)c(Br)c1 ZINC000610512375 480326432 /nfs/dbraw/zinc/32/64/32/480326432.db2.gz RTKUMBSLLVTPSP-JTQLQIEISA-N 0 1 341.209 2.649 20 5 EFBDMN COc1ccccc1OCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580756 480342769 /nfs/dbraw/zinc/34/27/69/480342769.db2.gz DRBKSSREEKNCGC-UHFFFAOYSA-N 0 1 343.339 2.913 20 5 EFBDMN CCCN(Cc1ccc(OC)cc1)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000618178998 480555879 /nfs/dbraw/zinc/55/58/79/480555879.db2.gz KUXLKYZLXAVSGN-UHFFFAOYSA-N 0 1 346.387 2.941 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)c1[N+](=O)[O-] ZINC000618231879 480580895 /nfs/dbraw/zinc/58/08/95/480580895.db2.gz OLDWLMUDESWAIH-ZDUSSCGKSA-N 0 1 330.344 2.563 20 5 EFBDMN CCc1[nH]nc(C(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)c1[N+](=O)[O-] ZINC000618241062 480583279 /nfs/dbraw/zinc/58/32/79/480583279.db2.gz MHZBVLBQGRITSI-HTQZYQBOSA-N 0 1 334.298 2.683 20 5 EFBDMN COc1cc(CN(C)CCC2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184235047 533781113 /nfs/dbraw/zinc/78/11/13/533781113.db2.gz RGQFWBZUDFFGEW-UHFFFAOYSA-N 0 1 326.368 2.991 20 5 EFBDMN COc1cc(CN(C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000181095220 533787758 /nfs/dbraw/zinc/78/77/58/533787758.db2.gz FWDKUVMEGMRYRC-DOMZBBRYSA-N 0 1 338.404 2.595 20 5 EFBDMN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000194151038 519713082 /nfs/dbraw/zinc/71/30/82/519713082.db2.gz CTFLCKQRHDAMQU-UHFFFAOYSA-N 0 1 349.368 2.662 20 5 EFBDMN CCCCNC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000065253865 520660577 /nfs/dbraw/zinc/66/05/77/520660577.db2.gz BIAKPGOBMGMVLD-CQSZACIVSA-N 0 1 349.431 2.732 20 5 EFBDMN O=C([O-])[C@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000158409043 534532762 /nfs/dbraw/zinc/53/27/62/534532762.db2.gz MTAINAKFPRIIOQ-CQSZACIVSA-N 0 1 345.355 2.731 20 5 EFBDMN Cc1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000154638081 534594395 /nfs/dbraw/zinc/59/43/95/534594395.db2.gz FYNAFYGKYUXZLE-UHFFFAOYSA-N 0 1 331.416 2.994 20 5 EFBDMN CN(C)Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000176942231 521934058 /nfs/dbraw/zinc/93/40/58/521934058.db2.gz GKXNKHWTHHTQPF-UHFFFAOYSA-N 0 1 334.763 2.957 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000054125210 522022079 /nfs/dbraw/zinc/02/20/79/522022079.db2.gz GKTURGIJIFYYQR-ZDUSSCGKSA-N 0 1 337.376 2.828 20 5 EFBDMN CN(C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000072005085 522075098 /nfs/dbraw/zinc/07/50/98/522075098.db2.gz IYMMPIZTFOLJNA-QGZVFWFLSA-N 0 1 345.374 2.696 20 5 EFBDMN COc1cc(CN2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OC ZINC000121222931 522379801 /nfs/dbraw/zinc/37/98/01/522379801.db2.gz IKVWCDYKZNPBQY-LBPRGKRZSA-N 0 1 346.387 2.715 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000176523429 523666660 /nfs/dbraw/zinc/66/66/60/523666660.db2.gz MVRJEOCVHZXBIL-WCQYABFASA-N 0 1 328.372 2.899 20 5 EFBDMN COCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)C ZINC000076940636 523775175 /nfs/dbraw/zinc/77/51/75/523775175.db2.gz JKJGEULOFAMFNI-UHFFFAOYSA-N 0 1 334.376 2.749 20 5 EFBDMN Cc1ccc(CN2CCC[C@H](c3nc(N(C)C)no3)C2)cc1[N+](=O)[O-] ZINC000194928444 524451943 /nfs/dbraw/zinc/45/19/43/524451943.db2.gz GKWUIMCUTDCFAQ-AWEZNQCLSA-N 0 1 345.403 2.732 20 5 EFBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007783590 524500672 /nfs/dbraw/zinc/50/06/72/524500672.db2.gz DMZFIKMKYCYWDM-LBPRGKRZSA-N 0 1 329.356 2.893 20 5 EFBDMN O=[N+]([O-])c1ccccc1CN[C@H](CN1CCOCC1)c1ccccc1 ZINC000131195421 534887096 /nfs/dbraw/zinc/88/70/96/534887096.db2.gz VXBKKPFFEUHDBM-GOSISDBHSA-N 0 1 341.411 2.758 20 5 EFBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179357969 526778572 /nfs/dbraw/zinc/77/85/72/526778572.db2.gz HNYWXJLKMNDRTL-CYBMUJFWSA-N 0 1 341.371 2.610 20 5 EFBDMN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000067333099 526974467 /nfs/dbraw/zinc/97/44/67/526974467.db2.gz UDWNZSLOTVFIFD-SWLSCSKDSA-N 0 1 340.314 2.896 20 5 EFBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](c3cc[nH]n3)C2)c2c(c1)COCO2 ZINC000193852371 527330275 /nfs/dbraw/zinc/33/02/75/527330275.db2.gz QNIWDBLLSXETKN-LBPRGKRZSA-N 0 1 344.371 2.564 20 5 EFBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3cn[nH]c3)c2)cc1 ZINC000090166692 527376464 /nfs/dbraw/zinc/37/64/64/527376464.db2.gz GLTOVODELQZRGT-UHFFFAOYSA-N 0 1 344.352 2.786 20 5 EFBDMN O=C([O-])CC[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000263185671 527597621 /nfs/dbraw/zinc/59/76/21/527597621.db2.gz UTZSPHOOVJCYOD-AWEZNQCLSA-N 0 1 336.388 2.941 20 5 EFBDMN CC(C)CCOc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000130432474 527788889 /nfs/dbraw/zinc/78/88/89/527788889.db2.gz ZYZWGYXBYZJLCJ-UHFFFAOYSA-N 0 1 332.360 2.673 20 5 EFBDMN CCCCN(CCCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000182151747 528418739 /nfs/dbraw/zinc/41/87/39/528418739.db2.gz PBWULTCKLQTPKT-UHFFFAOYSA-N 0 1 334.376 2.629 20 5 EFBDMN CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000187319065 528609020 /nfs/dbraw/zinc/60/90/20/528609020.db2.gz UPJFDGLHNXHBFN-HUUCEWRRSA-N 0 1 346.387 2.795 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C2OCCO2)C1 ZINC000175169160 528611783 /nfs/dbraw/zinc/61/17/83/528611783.db2.gz IWCZTLTWIAVBBE-CYBMUJFWSA-N 0 1 336.388 2.578 20 5 EFBDMN CCOc1ccc2nc(SCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000178455644 528626305 /nfs/dbraw/zinc/62/63/05/528626305.db2.gz UIINSDFERPNVEH-UHFFFAOYSA-N 0 1 333.373 2.859 20 5 EFBDMN CC(C)Oc1cc(C(=O)N(C)[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000412143273 534943505 /nfs/dbraw/zinc/94/35/05/534943505.db2.gz ZKDOWQMYUMHKLN-AWEZNQCLSA-N 0 1 335.404 2.548 20 5 EFBDMN CC(C)Oc1cc(C(=O)N2CCN(C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000412131150 534944939 /nfs/dbraw/zinc/94/49/39/534944939.db2.gz VRTXPQFENFYWNL-CYBMUJFWSA-N 0 1 335.404 2.548 20 5 EFBDMN CC(C)Oc1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1[N+](=O)[O-] ZINC000412189005 534950383 /nfs/dbraw/zinc/95/03/83/534950383.db2.gz CMBNVJAVPBIGNT-CYBMUJFWSA-N 0 1 344.371 2.913 20 5 EFBDMN CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356804725 535074108 /nfs/dbraw/zinc/07/41/08/535074108.db2.gz OLCGFANZJUTIOX-CQSZACIVSA-N 0 1 335.404 2.541 20 5 EFBDMN CC(C)(NCc1ccc2c(c1)NC(=O)CO2)c1ccc([N+](=O)[O-])cc1 ZINC000352917010 535249985 /nfs/dbraw/zinc/24/99/85/535249985.db2.gz VRKDQJXGPZLLMX-UHFFFAOYSA-N 0 1 341.367 2.951 20 5 EFBDMN CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000344638799 535555477 /nfs/dbraw/zinc/55/54/77/535555477.db2.gz PEJZQCGROIWTCT-UHFFFAOYSA-N 0 1 346.387 2.896 20 5 EFBDMN CCc1[nH]nc(C(=O)N2Cc3ccccc3C[C@@H]2CC)c1[N+](=O)[O-] ZINC000192902767 536003009 /nfs/dbraw/zinc/00/30/09/536003009.db2.gz LZAOBGOARNMXSJ-ZDUSSCGKSA-N 0 1 328.372 2.857 20 5 EFBDMN CN(C)Cc1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000412163082 536049848 /nfs/dbraw/zinc/04/98/48/536049848.db2.gz MYAIHKNGGODSJX-JKSUJKDBSA-N 0 1 340.383 2.794 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412399516 536147208 /nfs/dbraw/zinc/14/72/08/536147208.db2.gz ZRKZQRFBHNNCRB-RRQGHBQHSA-N 0 1 331.416 2.641 20 5 EFBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCC[C@H]1O ZINC000426237430 536485472 /nfs/dbraw/zinc/48/54/72/536485472.db2.gz IQLUPHIAECWRSL-HZPDHXFCSA-N 0 1 331.372 2.985 20 5 EFBDMN COC[C@H]1CCCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342744352 536495520 /nfs/dbraw/zinc/49/55/20/536495520.db2.gz BIHHJSJYWQGAPO-KBPBESRZSA-N 0 1 335.404 2.670 20 5 EFBDMN COc1ccc(F)cc1[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356351226 536634583 /nfs/dbraw/zinc/63/45/83/536634583.db2.gz VRWLXXUDAPTARC-SECBINFHSA-N 0 1 334.303 2.939 20 5 EFBDMN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356761220 536672220 /nfs/dbraw/zinc/67/22/20/536672220.db2.gz BWMGLDOVJMNBKS-HWPZZCPQSA-N 0 1 348.330 2.946 20 5 EFBDMN COC[C@@H]1CCCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342561623 536742748 /nfs/dbraw/zinc/74/27/48/536742748.db2.gz BZCMZAJSCQPYKI-HUUCEWRRSA-N 0 1 349.431 2.979 20 5 EFBDMN CO[C@](C)([C@@H](C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000411972841 536834807 /nfs/dbraw/zinc/83/48/07/536834807.db2.gz QRQPJWHFECHTJS-PIGZYNQJSA-N 0 1 346.387 2.938 20 5 EFBDMN COCCN(Cc1cccs1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356804856 536847977 /nfs/dbraw/zinc/84/79/77/536847977.db2.gz PGTNKPIQHFUZQI-UHFFFAOYSA-N 0 1 336.369 2.651 20 5 EFBDMN COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347573396 536881862 /nfs/dbraw/zinc/88/18/62/536881862.db2.gz ZXDGYFQKDXSAQE-VXGBXAGGSA-N 0 1 344.371 2.676 20 5 EFBDMN COCCNc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360086216 536896391 /nfs/dbraw/zinc/89/63/91/536896391.db2.gz DPLQMCKYZOWBBP-UHFFFAOYSA-N 0 1 331.328 2.611 20 5 EFBDMN COc1ccccc1C(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356315287 537005262 /nfs/dbraw/zinc/00/52/62/537005262.db2.gz FJCFXAXXCGTOSN-UHFFFAOYSA-N 0 1 330.340 2.974 20 5 EFBDMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000275387538 538142993 /nfs/dbraw/zinc/14/29/93/538142993.db2.gz ZEGUXWQYWUXNES-WFASDCNBSA-N 0 1 336.417 2.626 20 5 EFBDMN Cc1cc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n[nH]1 ZINC000681995665 549675097 /nfs/dbraw/zinc/67/50/97/549675097.db2.gz JGSYQQKXGLTRML-UHFFFAOYSA-N 0 1 332.363 2.643 20 5 EFBDMN CCc1ccc([C@@H](COC)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000754346826 575423199 /nfs/dbraw/zinc/42/31/99/575423199.db2.gz GTIUEZOQKHLRNQ-HZPDHXFCSA-N 0 1 334.372 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EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(-n2cncn2)nc1 ZINC000764954115 576528323 /nfs/dbraw/zinc/52/83/23/576528323.db2.gz BRBJFUIHZSBBIF-ZDUSSCGKSA-N 0 1 338.371 2.730 20 5 EFBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)OC[C@@H]1CCCN1Cc1ccco1 ZINC000765971504 577093936 /nfs/dbraw/zinc/09/39/36/577093936.db2.gz KNLLJHFUXNESDZ-INIZCTEOSA-N 0 1 344.367 2.938 20 5 EFBDMN CC[C@H](C(=O)OCc1cc(OC)c(F)cc1[N+](=O)[O-])N(CC)CC ZINC000766207399 577121365 /nfs/dbraw/zinc/12/13/65/577121365.db2.gz NRPNBPZMSCQCDI-CYBMUJFWSA-N 0 1 342.367 2.906 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000766556225 577166470 /nfs/dbraw/zinc/16/64/70/577166470.db2.gz NKLLANIBUHSYFO-WDEREUQCSA-N 0 1 325.796 2.803 20 5 EFBDMN CN(Cc1cnn(-c2ccccc2)n1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000768782728 577301799 /nfs/dbraw/zinc/30/17/99/577301799.db2.gz YATYGCFJGKSCNW-UHFFFAOYSA-N 0 1 339.355 2.513 20 5 EFBDMN C[N@H+](CCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769116540 577336240 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C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737448903 600215957 /nfs/dbraw/zinc/21/59/57/600215957.db2.gz HBMXAKCDHQZYDQ-INIZCTEOSA-N 0 1 330.340 2.731 20 5 EFBDMN Cc1[nH+]ccn1CCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000833011484 600815294 /nfs/dbraw/zinc/81/52/94/600815294.db2.gz WWTWTYRHLJTJPN-GQCTYLIASA-N 0 1 330.344 2.700 20 5 EFBDMN O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000833196114 601546895 /nfs/dbraw/zinc/54/68/95/601546895.db2.gz ZIASVSILBYOSJJ-INIZCTEOSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000833196114 601546896 /nfs/dbraw/zinc/54/68/96/601546896.db2.gz ZIASVSILBYOSJJ-INIZCTEOSA-N 0 1 330.315 2.918 20 5 EFBDMN CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000828424980 601685830 /nfs/dbraw/zinc/68/58/30/601685830.db2.gz VSWOIWYOFNYMMA-SQWULWQPSA-N 0 1 333.388 2.833 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000827966198 601919455 /nfs/dbraw/zinc/91/94/55/601919455.db2.gz NHTHUXGFJVFRDX-HWPZZCPQSA-N 0 1 346.343 2.502 20 5 EFBDMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000828433003 601937030 /nfs/dbraw/zinc/93/70/30/601937030.db2.gz QCVXLXFAJHWJHS-QGNWLKBCSA-N 0 1 331.372 2.587 20 5 EFBDMN CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830927687 604267205 /nfs/dbraw/zinc/26/72/05/604267205.db2.gz BBDYULBITBSDDG-JTQLQIEISA-N 0 1 341.795 2.724 20 5 EFBDMN Cc1c(NC(=O)CC[N@H+](C)C2(C(=O)[O-])CCCC2)cccc1[N+](=O)[O-] ZINC000832857427 604467455 /nfs/dbraw/zinc/46/74/55/604467455.db2.gz NJTPADBVOKXIMT-UHFFFAOYSA-N 0 1 349.387 2.561 20 5 EFBDMN C[C@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000833630230 604665806 /nfs/dbraw/zinc/66/58/06/604665806.db2.gz QGLWTEBFFBTQOZ-WPRPVWTQSA-N 0 1 343.177 2.510 20 5 EFBDMN 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CO[C@@]1(C)CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000794652943 1302903186 /nfs/dbraw/zinc/90/31/86/1302903186.db2.gz BKTYJQVIDXDDHJ-KRWDZBQOSA-N 0 1 330.388 2.917 20 5 EFBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CN(CC1CC1)CC1CCC1 ZINC000794715882 1303038080 /nfs/dbraw/zinc/03/80/80/1303038080.db2.gz ZDHXUVHLPROWPQ-UHFFFAOYSA-N 0 1 331.372 2.972 20 5 EFBDMN C[C@@H](CNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000867927567 1304022731 /nfs/dbraw/zinc/02/27/31/1304022731.db2.gz JGISXHZLDBRTEW-SGTLLEGYSA-N 0 1 345.374 2.828 20 5 EFBDMN Cc1ccccc1C[C@@H](C)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867942289 1304029795 /nfs/dbraw/zinc/02/97/95/1304029795.db2.gz OIBSJWSRYGFZGV-KUHUBIRLSA-N 0 1 341.411 2.825 20 5 EFBDMN Cc1ccccc1C[C@@H](C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867942287 1304029837 /nfs/dbraw/zinc/02/98/37/1304029837.db2.gz OIBSJWSRYGFZGV-AUUYWEPGSA-N 0 1 341.411 2.825 20 5 EFBDMN C[C@H](Cc1cccs1)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867943144 1304031498 /nfs/dbraw/zinc/03/14/98/1304031498.db2.gz MZRSYNUVDGZDLR-BZNIZROVSA-N 0 1 333.413 2.578 20 5 EFBDMN CC(C)(CNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000867944472 1304033107 /nfs/dbraw/zinc/03/31/07/1304033107.db2.gz VWUDYBDLMUCGRY-KRWDZBQOSA-N 0 1 347.440 2.924 20 5 EFBDMN Cc1ccc(CCNC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000867946502 1304034045 /nfs/dbraw/zinc/03/40/45/1304034045.db2.gz RXUIJVLNYFKNEZ-LJQANCHMSA-N 0 1 341.411 2.744 20 5 EFBDMN C[C@@](N)(C(=O)N[C@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000867948422 1304036626 /nfs/dbraw/zinc/03/66/26/1304036626.db2.gz VSKFTCVCDANSAG-WMZOPIPTSA-N 0 1 343.358 2.712 20 5 EFBDMN CCc1ccc(CNC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)s1 ZINC000867950894 1304037797 /nfs/dbraw/zinc/03/77/97/1304037797.db2.gz IAPGBJZIKXJDFF-MRXNPFEDSA-N 0 1 333.413 2.709 20 5 EFBDMN CS[C@@H]1CCC[C@H](NC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000867953131 1304040341 /nfs/dbraw/zinc/04/03/41/1304040341.db2.gz NRTQUVVWLKHZOF-JGGQBBKZSA-N 0 1 337.445 2.559 20 5 EFBDMN C[C@@](N)(C(=O)NCC1(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867957117 1304044980 /nfs/dbraw/zinc/04/49/80/1304044980.db2.gz BQUYPTKLCSJJOU-SFHVURJKSA-N 0 1 339.395 2.617 20 5 EFBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869817243 1304987365 /nfs/dbraw/zinc/98/73/65/1304987365.db2.gz KUDUMRYEAFHIGL-UHFFFAOYSA-N 0 1 337.379 2.553 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(NC2(C)CCN(C(=O)c3ccn[nH]3)CC2)c1 ZINC001067243951 1314062369 /nfs/dbraw/zinc/06/23/69/1314062369.db2.gz IGIIJAKIWAQURN-UHFFFAOYSA-N 0 1 343.387 2.733 20 5 EFBDMN CC1(Nc2ccc([N+](=O)[O-])cc2F)CCN(C(=O)c2ccn[nH]2)CC1 ZINC001067244132 1314062899 /nfs/dbraw/zinc/06/28/99/1314062899.db2.gz OYOYMVYJLQJVDR-UHFFFAOYSA-N 0 1 347.350 2.564 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](O)COc2ccccc2)c1 ZINC000748816229 1314135723 /nfs/dbraw/zinc/13/57/23/1314135723.db2.gz WNSNNFPMWYEYLB-AWEZNQCLSA-N 0 1 336.775 2.778 20 5 EFBDMN CC1(NC(=O)c2ccco2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045343875 1307258805 /nfs/dbraw/zinc/25/88/05/1307258805.db2.gz FUGXOLMEEVEPFO-UHFFFAOYSA-N 0 1 343.383 2.972 20 5 EFBDMN CC1(NC(=O)c2cc[nH]c2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045445907 1307344297 /nfs/dbraw/zinc/34/42/97/1307344297.db2.gz IJYOWVLLZNAGTC-UHFFFAOYSA-N 0 1 342.399 2.707 20 5 EFBDMN CN(C)Cc1ccnc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000749004823 1314226538 /nfs/dbraw/zinc/22/65/38/1314226538.db2.gz ISPTVBFLDUVTJV-UHFFFAOYSA-N 0 1 331.401 2.860 20 5 EFBDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000900771355 1308659749 /nfs/dbraw/zinc/65/97/49/1308659749.db2.gz SCZOELFLAWZVPR-HWPZZCPQSA-N 0 1 326.356 2.573 20 5 EFBDMN CO[C@H](C)c1nsc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1 ZINC000800991351 1308789854 /nfs/dbraw/zinc/78/98/54/1308789854.db2.gz FVLOYVNNKLIEBC-SSDOTTSWSA-N 0 1 340.336 2.854 20 5 EFBDMN C[NH+]1CCC(Oc2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)nc2)CC1 ZINC001210394654 1314325772 /nfs/dbraw/zinc/32/57/72/1314325772.db2.gz FQZJPTYPSCBWSE-UHFFFAOYSA-N 0 1 344.371 2.912 20 5 EFBDMN COc1cc2nc[nH]c(=O)c2cc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210397539 1314326257 /nfs/dbraw/zinc/32/62/57/1314326257.db2.gz ACZFDNRGCAFIAM-UHFFFAOYSA-N 0 1 328.284 2.701 20 5 EFBDMN CCn1nnc(-c2ccccc2Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC001210397589 1314326283 /nfs/dbraw/zinc/32/62/83/1314326283.db2.gz CKCSMDMBFKNXIR-UHFFFAOYSA-N 0 1 326.316 2.717 20 5 EFBDMN COC(=O)c1cccc(C(=O)OC)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210397693 1314326298 /nfs/dbraw/zinc/32/62/98/1314326298.db2.gz DEDMFTLYRUDARR-UHFFFAOYSA-N 0 1 346.295 2.617 20 5 EFBDMN CC1(C)NC(=O)Cc2cc(Nc3ccc(O)c([N+](=O)[O-])c3)ccc21 ZINC001210399433 1314326815 /nfs/dbraw/zinc/32/68/15/1314326815.db2.gz SKXOKGDRZUIHDF-UHFFFAOYSA-N 0 1 327.340 2.951 20 5 EFBDMN COC(=O)c1cc(O)c(OC)cc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210400167 1314327497 /nfs/dbraw/zinc/32/74/97/1314327497.db2.gz DHPQCBMVDTYSGR-UHFFFAOYSA-N 0 1 334.284 2.545 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000901271356 1310018567 /nfs/dbraw/zinc/01/85/67/1310018567.db2.gz MMLVPWKJPPGDJV-VHSXEESVSA-N 0 1 343.786 2.942 20 5 EFBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[C@H](C)Cc3cn[nH]c31)CC2 ZINC000901317432 1310129147 /nfs/dbraw/zinc/12/91/47/1310129147.db2.gz JWRCIFMIZWHADJ-QMTHXVAHSA-N 0 1 340.383 2.882 20 5 EFBDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000801556241 1310519495 /nfs/dbraw/zinc/51/94/95/1310519495.db2.gz YLEYPJFHXHEXGD-INIZCTEOSA-N 0 1 331.347 2.782 20 5 EFBDMN C[C@H](C[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000901599817 1310730872 /nfs/dbraw/zinc/73/08/72/1310730872.db2.gz ZNUMYNQKWFJXGK-MRVPVSSYSA-N 0 1 331.166 2.510 20 5 EFBDMN C[C@H](C[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000901599817 1310730861 /nfs/dbraw/zinc/73/08/61/1310730861.db2.gz ZNUMYNQKWFJXGK-MRVPVSSYSA-N 0 1 331.166 2.510 20 5 EFBDMN O=C(/C=C\C1CC1)NCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222730107 1311177357 /nfs/dbraw/zinc/17/73/57/1311177357.db2.gz DBVNSXNFKVBBCF-SREVYHEPSA-N 0 1 343.427 2.889 20 5 EFBDMN C/C=C(/C)C(=O)NCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222756142 1311179970 /nfs/dbraw/zinc/17/99/70/1311179970.db2.gz KQVLEQMCUPLZJZ-BNNQUZSASA-N 0 1 331.416 2.889 20 5 EFBDMN CC1(C(=O)NCC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001223267024 1311234750 /nfs/dbraw/zinc/23/47/50/1311234750.db2.gz WAKDQASNWAHETR-UHFFFAOYSA-N 0 1 331.416 2.723 20 5 EFBDMN CO[C@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000902031781 1311339998 /nfs/dbraw/zinc/33/99/98/1311339998.db2.gz LYOMJAWQGVRGTF-XJKSGUPXSA-N 0 1 336.388 2.782 20 5 EFBDMN CSCC(=O)NCCC1=CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159169184 1311465624 /nfs/dbraw/zinc/46/56/24/1311465624.db2.gz ZAMWHJNMFHOHOB-UHFFFAOYSA-N 0 1 349.456 2.596 20 5 EFBDMN C[C@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000902150964 1311481371 /nfs/dbraw/zinc/48/13/71/1311481371.db2.gz UMYPGHFDBGPCAQ-ZDUSSCGKSA-N 0 1 335.404 2.575 20 5 EFBDMN O=[N+]([O-])c1ccnc(Cl)c1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001225435499 1311523569 /nfs/dbraw/zinc/52/35/69/1311523569.db2.gz RSAJBMWBSBHGGR-TXEJJXNPSA-N 0 1 341.795 2.665 20 5 EFBDMN O=C1O[C@@H](COc2cc(O)ccc2[N+](=O)[O-])CN1c1cccc(F)c1 ZINC001225489125 1311531378 /nfs/dbraw/zinc/53/13/78/1311531378.db2.gz SXOWFIWQQQSQOP-CYBMUJFWSA-N 0 1 348.286 2.844 20 5 EFBDMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225488761 1311531479 /nfs/dbraw/zinc/53/14/79/1311531479.db2.gz LMTMEMOBQGTKRC-QMTHXVAHSA-N 0 1 338.360 2.935 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1O[C@H]1CCN2Cc3ccccc3N=C12 ZINC001225492694 1311531653 /nfs/dbraw/zinc/53/16/53/1311531653.db2.gz ZPKJPDNIMMCLIV-HNNXBMFYSA-N 0 1 325.324 2.997 20 5 EFBDMN O=[N+]([O-])c1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)nc1 ZINC001225630786 1311556715 /nfs/dbraw/zinc/55/67/15/1311556715.db2.gz FPVRSXHRVOJNTN-KRWDZBQOSA-N 0 1 343.383 2.660 20 5 EFBDMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667691 1311562531 /nfs/dbraw/zinc/56/25/31/1311562531.db2.gz WUQXLADZOUYTQP-BBRMVZONSA-N 0 1 343.383 2.985 20 5 EFBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667691 1311562533 /nfs/dbraw/zinc/56/25/33/1311562533.db2.gz WUQXLADZOUYTQP-BBRMVZONSA-N 0 1 343.383 2.985 20 5 EFBDMN O=[N+]([O-])c1cc(O[C@H]2CC[C@H](N3CCOCC3)CC2)c(F)cc1F ZINC001226182171 1311625530 /nfs/dbraw/zinc/62/55/30/1311625530.db2.gz YKYJTONDHHYZDZ-HAQNSBGRSA-N 0 1 342.342 2.895 20 5 EFBDMN O=C(CC(F)(F)F)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226384555 1311659654 /nfs/dbraw/zinc/65/96/54/1311659654.db2.gz KMYVPIZLSQGVRJ-UHFFFAOYSA-N 0 1 345.321 2.628 20 5 EFBDMN O=C(CC(F)(F)F)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226384455 1311659813 /nfs/dbraw/zinc/65/98/13/1311659813.db2.gz JBUGAGYAEXPOIK-UHFFFAOYSA-N 0 1 345.321 2.628 20 5 EFBDMN Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc(N)nc2ccccc21 ZINC001226423620 1311665109 /nfs/dbraw/zinc/66/51/09/1311665109.db2.gz ZENAXABHENBCOB-JTQLQIEISA-N 0 1 327.344 2.698 20 5 EFBDMN C[C@@H](Oc1nc[nH]c(=O)c1Br)c1cccc([N+](=O)[O-])c1 ZINC001226722109 1311713528 /nfs/dbraw/zinc/71/35/28/1311713528.db2.gz OEILYXIMVFQQCN-SSDOTTSWSA-N 0 1 340.133 2.993 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CC[C@H](Oc3ccc4nc[nH]c4c3)C2)nc1 ZINC001226929556 1311742510 /nfs/dbraw/zinc/74/25/10/1311742510.db2.gz ILUCLMQPQZKRRB-ZDUSSCGKSA-N 0 1 325.328 2.524 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCN([C@@H](C)c3ccccn3)C2)n1 ZINC001227064011 1311757418 /nfs/dbraw/zinc/75/74/18/1311757418.db2.gz JVUMCAGBRKSIMR-UONOGXRCSA-N 0 1 328.372 2.908 20 5 EFBDMN Cc1cccc2nc(O[C@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)[nH]c21 ZINC001227268069 1311785784 /nfs/dbraw/zinc/78/57/84/1311785784.db2.gz LHEKQLZEFSOBIO-OAHLLOKOSA-N 0 1 341.323 2.997 20 5 EFBDMN O=C(CCCF)NCCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001160896727 1311805001 /nfs/dbraw/zinc/80/50/01/1311805001.db2.gz XLCQGCKZERHUSM-UHFFFAOYSA-N 0 1 349.406 2.983 20 5 EFBDMN O=[N+]([O-])c1ccc([C@@H](Oc2ncnc3nc[nH]c32)C(F)(F)F)cc1 ZINC001227533457 1311817424 /nfs/dbraw/zinc/81/74/24/1311817424.db2.gz CMEMMDKBTSGKKK-SNVBAGLBSA-N 0 1 339.233 2.944 20 5 EFBDMN CSc1nc(O[C@@H](C)c2cc(C)cnc2F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227629806 1311834285 /nfs/dbraw/zinc/83/42/85/1311834285.db2.gz ZFTYNEYLBGNHFB-ZETCQYMHSA-N 0 1 340.336 2.795 20 5 EFBDMN C[C@@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000902564395 1311880479 /nfs/dbraw/zinc/88/04/79/1311880479.db2.gz ZKIYBZUAXPCAST-CYBMUJFWSA-N 0 1 335.404 2.575 20 5 EFBDMN C[C@H](c1ccccn1)N1CCC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227990706 1311885446 /nfs/dbraw/zinc/88/54/46/1311885446.db2.gz PFSZOJACSZXOAA-HIFRSBDPSA-N 0 1 328.372 2.989 20 5 EFBDMN C[C@@H]([C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1)[NH+]1CCCC1 ZINC001228144130 1311906530 /nfs/dbraw/zinc/90/65/30/1311906530.db2.gz RVEGMFIQHPXXBJ-WFASDCNBSA-N 0 1 344.371 2.695 20 5 EFBDMN CC1(CC(=O)NC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001228333299 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ZINC001254595740 1315729242 /nfs/dbraw/zinc/72/92/42/1315729242.db2.gz ZAEGEYJGBIKFBK-RBSFLKMASA-N 0 1 344.333 2.697 20 5 EFBDMN COc1cc(N2CCC(NCc3nccs3)CC2)ccc1[N+](=O)[O-] ZINC001256082545 1315903336 /nfs/dbraw/zinc/90/33/36/1315903336.db2.gz HTTSHDSEILPHDJ-UHFFFAOYSA-N 0 1 348.428 2.819 20 5 EFBDMN Cc1c(-c2nnc(CCN3C[C@H](C)O[C@@H](C)C3)o2)cccc1[N+](=O)[O-] ZINC001258019620 1316111812 /nfs/dbraw/zinc/11/18/12/1316111812.db2.gz OBZQVEIVBGUWMG-RYUDHWBXSA-N 0 1 346.387 2.605 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1-c1nnc(CCN2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258020348 1316112977 /nfs/dbraw/zinc/11/29/77/1316112977.db2.gz RPHIXOPAFSGLRS-BETUJISGSA-N 0 1 346.387 2.605 20 5 EFBDMN Cn1ccnc1C[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001261637626 1316422337 /nfs/dbraw/zinc/42/23/37/1316422337.db2.gz AIDHOEWBSQCXMB-ZDUSSCGKSA-N 0 1 332.379 2.922 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001263629699 1316552541 /nfs/dbraw/zinc/55/25/41/1316552541.db2.gz LOCYYLRKYDRMOU-GFCCVEGCSA-N 0 1 336.392 2.551 20 5 EFBDMN Cc1nccn1-c1ccncc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC001318814259 1328708853 /nfs/dbraw/zinc/70/88/53/1328708853.db2.gz DWOPNCQEKLXWAT-UHFFFAOYSA-N 0 1 329.341 2.798 20 5 EFBDMN CS[C@H]1CC[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001319327469 1328849581 /nfs/dbraw/zinc/84/95/81/1328849581.db2.gz ZEMPZTFTLJXGPK-HIFRSBDPSA-N 0 1 349.456 2.700 20 5 EFBDMN COc1ccc(NC(=O)c2ccc3cncn3c2C)cc1[N+](=O)[O-] ZINC001320284324 1329107169 /nfs/dbraw/zinc/10/71/69/1329107169.db2.gz GKTUPMHQGGEYBK-UHFFFAOYSA-N 0 1 326.312 2.812 20 5 EFBDMN COC(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C)c1 ZINC001320491631 1329144284 /nfs/dbraw/zinc/14/42/84/1329144284.db2.gz RBEOEDTXPQQKDW-UHFFFAOYSA-N 0 1 330.296 2.648 20 5 EFBDMN O=[N+]([O-])c1ccc(/C=C\c2nc([C@H]3CN4CCC3CC4)no2)cc1 ZINC001320495015 1329145282 /nfs/dbraw/zinc/14/52/82/1329145282.db2.gz CHGIAGWJKFNWIV-BYPUDFOVSA-N 0 1 326.356 2.957 20 5 EFBDMN COc1cccc2cc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)oc21 ZINC001320788570 1329302358 /nfs/dbraw/zinc/30/23/58/1329302358.db2.gz ZVUFSJDVLQBMSI-UHFFFAOYSA-N 0 1 342.307 2.985 20 5 EFBDMN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NCC(F)(F)F ZINC001320880247 1329313978 /nfs/dbraw/zinc/31/39/78/1329313978.db2.gz NNLGQLKDAGNCLK-ZANVPECISA-N 0 1 345.321 2.629 20 5 EFBDMN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NCC(F)(F)F ZINC001320880243 1329313871 /nfs/dbraw/zinc/31/38/71/1329313871.db2.gz NNLGQLKDAGNCLK-RNCFNFMXSA-N 0 1 345.321 2.629 20 5 EFBDMN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NCC(F)(F)F ZINC001320880245 1329313876 /nfs/dbraw/zinc/31/38/76/1329313876.db2.gz NNLGQLKDAGNCLK-TVQRCGJNSA-N 0 1 345.321 2.629 20 5 EFBDMN Cn1nc(-c2ccco2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001320888250 1329314887 /nfs/dbraw/zinc/31/48/87/1329314887.db2.gz PEVYTCNSAYHJLN-UHFFFAOYSA-N 0 1 328.284 2.546 20 5 EFBDMN Cc1n[nH]c(=O)c(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1C ZINC001321283109 1329367959 /nfs/dbraw/zinc/36/79/59/1329367959.db2.gz PJUHNGLIESLFCK-MRXNPFEDSA-N 0 1 328.372 2.874 20 5 EFBDMN Cc1cncc([N+](=O)[O-])c1NC[C@@H](C)N1CCc2ccccc2C1 ZINC001322470994 1329460864 /nfs/dbraw/zinc/46/08/64/1329460864.db2.gz YEFKMUAQVXCFRN-CQSZACIVSA-N 0 1 326.400 2.579 20 5 EFBDMN CS[C@H]1CC[C@@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC001322743526 1329484640 /nfs/dbraw/zinc/48/46/40/1329484640.db2.gz FESCDIYIWPJVIV-ZJUUUORDSA-N 0 1 326.422 2.797 20 5 EFBDMN CC(C)(C)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001323785574 1329570455 /nfs/dbraw/zinc/57/04/55/1329570455.db2.gz UXJCYWPTQLKRSB-UHFFFAOYSA-N 0 1 325.796 2.805 20 5 EFBDMN CC(C)(C)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC001327322102 1330459154 /nfs/dbraw/zinc/45/91/54/1330459154.db2.gz ZADOQGIXYIBXEN-JKSUJKDBSA-N 0 1 331.416 2.641 20 5 EFBDMN CC(C)CN1Cc2cccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])c2C1 ZINC001327410491 1330474911 /nfs/dbraw/zinc/47/49/11/1330474911.db2.gz KSIHFJABQDPSDF-UHFFFAOYSA-N 0 1 329.360 2.542 20 5 EFBDMN O=C([O-])Cc1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328746175 1330625338 /nfs/dbraw/zinc/62/53/38/1330625338.db2.gz VUODCAWHOZQZQQ-UHFFFAOYSA-N 0 1 326.352 2.780 20 5 EFBDMN O=C([O-])Cc1ccccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328746175 1330625341 /nfs/dbraw/zinc/62/53/41/1330625341.db2.gz VUODCAWHOZQZQQ-UHFFFAOYSA-N 0 1 326.352 2.780 20 5 EFBDMN CC(C)(C)OC(=O)CCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC001329272473 1330688745 /nfs/dbraw/zinc/68/87/45/1330688745.db2.gz JOQOISJKZHOOGC-UHFFFAOYSA-N 0 1 339.344 2.856 20 5 EFBDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001333102039 1331078546 /nfs/dbraw/zinc/07/85/46/1331078546.db2.gz ZIABHGIWXCRNHG-ZBEGNZNMSA-N 0 1 340.383 2.569 20 5 EFBDMN CC(C)(C)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001334239302 1331269805 /nfs/dbraw/zinc/26/98/05/1331269805.db2.gz JEWZNRHKLMCBML-HZPDHXFCSA-N 0 1 331.416 2.641 20 5 EFBDMN C[C@H](CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC001335308279 1331338651 /nfs/dbraw/zinc/33/86/51/1331338651.db2.gz LGHYRZFKYORJCI-LLVKDONJSA-N 0 1 346.353 2.661 20 5 EFBDMN C[C@H](Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C ZINC001336725205 1331496899 /nfs/dbraw/zinc/49/68/99/1331496899.db2.gz CSLKFABRYHJAKR-HZMBPMFUSA-N 0 1 346.353 2.660 20 5 EFBDMN O=C(Nc1ccc(Br)c(Cl)c1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001337673268 1331591354 /nfs/dbraw/zinc/59/13/54/1331591354.db2.gz PGWOIFWVFISNIU-CLZZGJSISA-N 0 1 337.532 2.845 20 5 EFBDMN C[N@H+]1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001338292459 1331686161 /nfs/dbraw/zinc/68/61/61/1331686161.db2.gz BCAMABQASLBXNS-SNVBAGLBSA-N 0 1 345.321 2.828 20 5 EFBDMN CN1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001338292459 1331686164 /nfs/dbraw/zinc/68/61/64/1331686164.db2.gz BCAMABQASLBXNS-SNVBAGLBSA-N 0 1 345.321 2.828 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCCn2cncn2)o1 ZINC001338752177 1331733250 /nfs/dbraw/zinc/73/32/50/1331733250.db2.gz TYGDSTMOMPAHBG-UHFFFAOYSA-N 0 1 347.762 2.890 20 5 EFBDMN Cc1cnc(COC(=O)c2ccc3cncn3c2C)c(C)c1[N+](=O)[O-] ZINC001338880330 1331752522 /nfs/dbraw/zinc/75/25/22/1331752522.db2.gz KFGBGJPYQHDQTI-UHFFFAOYSA-N 0 1 340.339 2.920 20 5 EFBDMN C[C@@H]1CC[C@H](C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])C1 ZINC001339066822 1331782044 /nfs/dbraw/zinc/78/20/44/1331782044.db2.gz YVDWGPOCJICRJF-KGLIPLIRSA-N 0 1 346.431 2.721 20 5 EFBDMN C/C=C(/CC)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001339065361 1331782143 /nfs/dbraw/zinc/78/21/43/1331782143.db2.gz HXXJFDRQNATFJU-PQMHYQBVSA-N 0 1 332.404 2.641 20 5 EFBDMN CC(C)CCC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001340882698 1332217241 /nfs/dbraw/zinc/21/72/41/1332217241.db2.gz TTWVXHGAXOZCJA-UHFFFAOYSA-N 0 1 334.420 2.721 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CC(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001344352148 1332445934 /nfs/dbraw/zinc/44/59/34/1332445934.db2.gz YUIYPCQRMCUBHY-UHFFFAOYSA-N 0 1 332.335 2.820 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC(=O)N1CCC[C@H](C)C1 ZINC001346854602 1332697003 /nfs/dbraw/zinc/69/70/03/1332697003.db2.gz DOJTXKIGEVHGSO-KBPBESRZSA-N 0 1 349.431 2.903 20 5 EFBDMN Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])no1 ZINC001347773232 1332772547 /nfs/dbraw/zinc/77/25/47/1332772547.db2.gz VYUJPJKJIXYBLK-UHFFFAOYSA-N 0 1 332.135 2.968 20 5 EFBDMN C[C@@H](Nc1ccc(C(F)F)cc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001354265670 1334201857 /nfs/dbraw/zinc/20/18/57/1334201857.db2.gz ACBNIMNEEZIBFW-QMTHXVAHSA-N 0 1 328.363 2.579 20 5 EFBDMN Cc1[nH]ccc1C(=O)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002569553 1334412982 /nfs/dbraw/zinc/41/29/82/1334412982.db2.gz YRYSOBXOJRACGE-UHFFFAOYSA-N 0 1 342.399 2.626 20 5 EFBDMN O=C(NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)C1=CCCC1 ZINC001002587268 1334442605 /nfs/dbraw/zinc/44/26/05/1334442605.db2.gz IOUVIHGVTKFZBC-UHFFFAOYSA-N 0 1 329.400 2.786 20 5 EFBDMN CCC(C)(C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000848300910 1334598589 /nfs/dbraw/zinc/59/85/89/1334598589.db2.gz DERQDPJOWVWPMH-UHFFFAOYSA-N 0 1 348.447 2.607 20 5 EFBDMN C[C@@H](C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])C1CCC1 ZINC001355081526 1334695355 /nfs/dbraw/zinc/69/53/55/1334695355.db2.gz QOWPPDGOQMQZJZ-CYBMUJFWSA-N 0 1 346.431 2.721 20 5 EFBDMN CCOC(=O)CCN(Cn1ncc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000848502659 1334761666 /nfs/dbraw/zinc/76/16/66/1334761666.db2.gz VSYXWESQKFAVGY-UHFFFAOYSA-N 0 1 334.376 2.566 20 5 EFBDMN O=[N+]([O-])c1cc(F)c(N2CCC[C@@H](N3CCOCC3)CC2)c(F)c1 ZINC000848792984 1334901653 /nfs/dbraw/zinc/90/16/53/1334901653.db2.gz FKDQETDRLLBWRA-GFCCVEGCSA-N 0 1 341.358 2.564 20 5 EFBDMN CC(C)(F)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849457000 1335621661 /nfs/dbraw/zinc/62/16/61/1335621661.db2.gz HPCQIERBBJBYHL-UHFFFAOYSA-N 0 1 342.751 2.804 20 5 EFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736203978 1428899489 /nfs/dbraw/zinc/89/94/89/1428899489.db2.gz PBAFPWCERXHRNR-LBPRGKRZSA-N 0 1 338.371 2.968 20 5 EFBDMN C[C@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000820425743 1429348471 /nfs/dbraw/zinc/34/84/71/1429348471.db2.gz BQFSCOBRYKCVEG-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820570913 1426233920 /nfs/dbraw/zinc/23/39/20/1426233920.db2.gz UAOCPXVAIAPDOG-GFCCVEGCSA-N 0 1 338.371 2.968 20 5 EFBDMN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000820428767 1426473265 /nfs/dbraw/zinc/47/32/65/1426473265.db2.gz ZQNSMMXZWUVYAP-SNVBAGLBSA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824605292 1441459528 /nfs/dbraw/zinc/45/95/28/1441459528.db2.gz HHFLHOQAZKHUQL-SNVBAGLBSA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824611749 1441635846 /nfs/dbraw/zinc/63/58/46/1441635846.db2.gz DLJCMTUQPXYCMC-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736200970 1442062753 /nfs/dbraw/zinc/06/27/53/1442062753.db2.gz FTIOMQOELDIVTF-GFCCVEGCSA-N 0 1 338.371 2.968 20 5 EFBDMN CCOCc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120232482 713024190 /nfs/dbraw/zinc/02/41/90/713024190.db2.gz OFWLQRRZQNZNAB-UHFFFAOYSA-N 0 1 342.398 2.994 20 5 EFBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)c1ccccc1F ZINC001021779097 714465753 /nfs/dbraw/zinc/46/57/53/714465753.db2.gz UMFFLWFVFHCADX-TXEJJXNPSA-N 0 1 349.387 2.846 20 5 EFBDMN O=C(CC1CCCC1)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001021789441 714478030 /nfs/dbraw/zinc/47/80/30/714478030.db2.gz LUZKRWNQYIBIRM-OKILXGFUSA-N 0 1 337.445 2.973 20 5 EFBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)c1cccs1 ZINC001021791209 714479674 /nfs/dbraw/zinc/47/96/74/714479674.db2.gz AQDDVCIOHZFJNU-PHIMTYICSA-N 0 1 337.426 2.768 20 5 EFBDMN COc1ccccc1[C@H](CNc1c([N+](=O)[O-])cnn1C)N1CCCC1 ZINC000891499602 714787349 /nfs/dbraw/zinc/78/73/49/714787349.db2.gz WCEAGRMBCASDPB-AWEZNQCLSA-N 0 1 345.403 2.586 20 5 EFBDMN O=C(CSc1n[nH]c(=S)s1)NCc1ccccc1[N+](=O)[O-] ZINC000176040214 715087043 /nfs/dbraw/zinc/08/70/43/715087043.db2.gz WZBDVCOUFPAWMO-UHFFFAOYSA-N 0 1 342.427 2.517 20 5 EFBDMN COC(=O)C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000934033465 715181815 /nfs/dbraw/zinc/18/18/15/715181815.db2.gz IVEWNWFBMHNBRU-ZDUSSCGKSA-N 0 1 330.331 2.940 20 5 EFBDMN CC1(C(=O)N[C@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C2)CCCC1 ZINC001022509404 715192721 /nfs/dbraw/zinc/19/27/21/715192721.db2.gz OQVJSPYSHKLQNE-BETUJISGSA-N 0 1 337.445 2.973 20 5 EFBDMN CC1(C(=O)N[C@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C2)CC=CC1 ZINC001022653324 715276035 /nfs/dbraw/zinc/27/60/35/715276035.db2.gz SCHCVGMREXNRTG-BETUJISGSA-N 0 1 335.429 2.749 20 5 EFBDMN O=C(C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000255507995 715485120 /nfs/dbraw/zinc/48/51/20/715485120.db2.gz QNYQIPJCRGTQJP-ALCCZGGFSA-N 0 1 343.427 2.942 20 5 EFBDMN COc1c(O)ccc(CNCCOc2cccc(C)c2)c1[N+](=O)[O-] ZINC000892417614 717209323 /nfs/dbraw/zinc/20/93/23/717209323.db2.gz FRHASJKMILRKOG-UHFFFAOYSA-N 0 1 332.356 2.786 20 5 EFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCO[C@@H]1CCOC1 ZINC000897200663 724074674 /nfs/dbraw/zinc/07/46/74/724074674.db2.gz ZLRKQWFFGSHBRD-GFCCVEGCSA-N 0 1 334.294 2.509 20 5 EFBDMN C[C@H](Cn1cccn1)NCc1cccc([N+](=O)[O-])c1Br ZINC000235483596 717887587 /nfs/dbraw/zinc/88/75/87/717887587.db2.gz URZZTUYIDCCPPT-SNVBAGLBSA-N 0 1 339.193 2.732 20 5 EFBDMN C/C=C(/C)C(=O)N1CC2(C1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000981698412 718953923 /nfs/dbraw/zinc/95/39/23/718953923.db2.gz CPXQAJPQZAIKSD-CQPUUCJISA-N 0 1 343.427 2.985 20 5 EFBDMN C/C=C(/C)C(=O)N1CC2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981698730 718954773 /nfs/dbraw/zinc/95/47/73/718954773.db2.gz JRGAZQKLSFNZSM-CQPUUCJISA-N 0 1 343.427 2.985 20 5 EFBDMN Cc1ccc(-c2ccc(N3C[C@H](C)N(C)C[C@@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164634117 719222448 /nfs/dbraw/zinc/22/24/48/719222448.db2.gz FTSNKOJEEPFOIO-KBPBESRZSA-N 0 1 341.415 2.889 20 5 EFBDMN C[C@@H]1CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)[C@H](C)CN1C ZINC001164643540 719233262 /nfs/dbraw/zinc/23/32/62/719233262.db2.gz ZEBMVSRSDNQFDK-CHWSQXEVSA-N 0 1 327.388 2.581 20 5 EFBDMN C[C@H]1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)[C@@H](C)CN1C ZINC001164637258 719248316 /nfs/dbraw/zinc/24/83/16/719248316.db2.gz VDMRFWOLLYVWNV-RYUDHWBXSA-N 0 1 345.378 2.720 20 5 EFBDMN COc1c(O)ccc(CNCc2cccc(N(C)C)c2)c1[N+](=O)[O-] ZINC000892926162 719279741 /nfs/dbraw/zinc/27/97/41/719279741.db2.gz IECQNXFDWKWDLH-UHFFFAOYSA-N 0 1 331.372 2.665 20 5 EFBDMN O=C(CC1CCCC1)N[C@@H]1[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025657797 719290603 /nfs/dbraw/zinc/29/06/03/719290603.db2.gz IBTQVHUHLOGDSQ-DZFIZOCASA-N 0 1 343.427 2.722 20 5 EFBDMN CC1(C)CC(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4[N+](=O)[O-])C[C@H]32)C1 ZINC001025764724 719310644 /nfs/dbraw/zinc/31/06/44/719310644.db2.gz KRKCNVDPOGRJLP-QLPKVWCKSA-N 0 1 343.427 2.577 20 5 EFBDMN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893001970 719429187 /nfs/dbraw/zinc/42/91/87/719429187.db2.gz RCDITIHPVCCVSS-QWHCGFSZSA-N 0 1 346.836 2.694 20 5 EFBDMN CCC(=O)N1C[C@@]2(C)CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000982178851 719631388 /nfs/dbraw/zinc/63/13/88/719631388.db2.gz VBRNDAUQGBJHJU-HDICACEKSA-N 0 1 331.416 2.675 20 5 EFBDMN COc1ccc(CNCc2ccc(O)c(OC)c2[N+](=O)[O-])c(C)c1 ZINC000893173347 719944092 /nfs/dbraw/zinc/94/40/92/719944092.db2.gz MPQDLSKKADRMTR-UHFFFAOYSA-N 0 1 332.356 2.916 20 5 EFBDMN Cc1ccnc(N)c1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000894055072 720253532 /nfs/dbraw/zinc/25/35/32/720253532.db2.gz OXMAYBCOWRTTII-UHFFFAOYSA-N 0 1 342.399 2.924 20 5 EFBDMN CCO[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1OC ZINC000894081734 720262752 /nfs/dbraw/zinc/26/27/52/720262752.db2.gz BCWMQYPCKBIVSX-BFHYXJOUSA-N 0 1 348.321 2.896 20 5 EFBDMN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](Nc3ccc(C)cc3[N+](=O)[O-])C2)c1C ZINC001059589100 724662786 /nfs/dbraw/zinc/66/27/86/724662786.db2.gz XKOJZOXBDAREKQ-BETUJISGSA-N 0 1 343.387 2.616 20 5 EFBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000840672699 722059034 /nfs/dbraw/zinc/05/90/34/722059034.db2.gz OOYKWBYYUFIMHV-ZLKJLUDKSA-N 0 1 334.372 2.520 20 5 EFBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000840672868 722079024 /nfs/dbraw/zinc/07/90/24/722079024.db2.gz XQVOHPOPELQJEG-SOCHQFKDSA-N 0 1 325.271 2.701 20 5 EFBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1Cl ZINC000840673506 722099103 /nfs/dbraw/zinc/09/91/03/722099103.db2.gz QPVBJVJJVCJSJA-BRDIYROLSA-N 0 1 347.154 2.529 20 5 EFBDMN O=C(OCCCc1ccccc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC000840673538 722099831 /nfs/dbraw/zinc/09/98/31/722099831.db2.gz RSVDCOWXHPDKBM-ZYHUDNBSSA-N 0 1 328.162 2.590 20 5 EFBDMN CCC[C@@H](C)C(=O)NCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894606319 722791138 /nfs/dbraw/zinc/79/11/38/722791138.db2.gz VADKOBLWOUHGSS-LLVKDONJSA-N 0 1 327.812 2.890 20 5 EFBDMN COc1c(O)ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000894633728 722803598 /nfs/dbraw/zinc/80/35/98/722803598.db2.gz HDYANSURULQGQK-QGZVFWFLSA-N 0 1 348.399 2.700 20 5 EFBDMN Cc1nc([C@@H](C)NCc2cc(Br)c([N+](=O)[O-])s2)n[nH]1 ZINC000894778586 722844261 /nfs/dbraw/zinc/84/42/61/722844261.db2.gz SFWGATWIAYTKSV-RXMQYKEDSA-N 0 1 346.210 2.696 20 5 EFBDMN CS(=O)(=O)CC1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000894935813 723033123 /nfs/dbraw/zinc/03/31/23/723033123.db2.gz BXUFRVYZCJYCQE-UHFFFAOYSA-N 0 1 346.836 2.553 20 5 EFBDMN Cc1ncc2n1C[C@H](c1nc(Cc3ccccc3[N+](=O)[O-])no1)CC2 ZINC000895957641 723071558 /nfs/dbraw/zinc/07/15/58/723071558.db2.gz KDCNSDWYRUMKPM-CYBMUJFWSA-N 0 1 339.355 2.804 20 5 EFBDMN O=C(OCc1cnc(CCc2ccccc2)s1)[C@@H]1CC1[N+](=O)[O-] ZINC000841252221 723328560 /nfs/dbraw/zinc/32/85/60/723328560.db2.gz SPYZESGJMRQNMV-ZIAGYGMSSA-N 0 1 332.381 2.637 20 5 EFBDMN Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000007357365 723435219 /nfs/dbraw/zinc/43/52/19/723435219.db2.gz PPUFLXHEZPAAHJ-UHFFFAOYSA-N 0 1 327.749 2.631 20 5 EFBDMN C[C@H](Nc1ccc([N+](=O)[O-])cc1C(F)F)[C@H]1CN(C)CCN1C ZINC000895246744 723940919 /nfs/dbraw/zinc/94/09/19/723940919.db2.gz DFEBBZGUMGTMBD-IINYFYTJSA-N 0 1 328.363 2.579 20 5 EFBDMN CC(C)(C)N1CC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000897266982 724155118 /nfs/dbraw/zinc/15/51/18/724155118.db2.gz WUKKVJITKNGFPB-MRXNPFEDSA-N 0 1 331.416 2.959 20 5 EFBDMN CCO/C=C\[C@](O)(CNCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000895706923 724266450 /nfs/dbraw/zinc/26/64/50/724266450.db2.gz AFCHPCJYCYLGOL-FWWRYZNZSA-N 0 1 334.294 2.528 20 5 EFBDMN CCO/C=C/[C@@](O)(CNCc1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000895715982 724275490 /nfs/dbraw/zinc/27/54/90/724275490.db2.gz FSFKABLWPKQJJU-HSBSLETESA-N 0 1 348.321 2.836 20 5 EFBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H](CO)C[C@@H]1CCCO1 ZINC000895747438 724293441 /nfs/dbraw/zinc/29/34/41/724293441.db2.gz HYOCWMNJKCLWLM-NEPJUHHUSA-N 0 1 349.214 2.921 20 5 EFBDMN CC1(C)[C@H](O)C[C@@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC000232769323 726037313 /nfs/dbraw/zinc/03/73/13/726037313.db2.gz FOXKPPURKWKHSZ-WDEREUQCSA-N 0 1 329.194 2.606 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@H](c4ccco4)C3)n2)cc1 ZINC000732182990 727001659 /nfs/dbraw/zinc/00/16/59/727001659.db2.gz KRCNGGUTMWAAIS-AWEZNQCLSA-N 0 1 339.355 2.893 20 5 EFBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732540747 727149189 /nfs/dbraw/zinc/14/91/89/727149189.db2.gz BTCMXCBJAJWRBI-QMMMGPOBSA-N 0 1 347.762 2.954 20 5 EFBDMN C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732568605 727158684 /nfs/dbraw/zinc/15/86/84/727158684.db2.gz CCUKLTZUQNBJGY-ZCFIWIBFSA-N 0 1 333.739 2.670 20 5 EFBDMN CCc1cc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000732792204 727230826 /nfs/dbraw/zinc/23/08/26/727230826.db2.gz ZRVCCGOZEYPZAQ-SNVBAGLBSA-N 0 1 334.401 2.677 20 5 EFBDMN CC(C)[N@H+]1CCC[C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000910353192 727436246 /nfs/dbraw/zinc/43/62/46/727436246.db2.gz YFOYDWWVUCBLAO-AWEZNQCLSA-N 0 1 335.404 2.754 20 5 EFBDMN CCCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000911512404 727553504 /nfs/dbraw/zinc/55/35/04/727553504.db2.gz QLAMBMMOMNFNJI-LLVKDONJSA-N 0 1 343.786 2.944 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000732973143 727587134 /nfs/dbraw/zinc/58/71/34/727587134.db2.gz MWJFYLIZQHLDAP-GFCCVEGCSA-N 0 1 336.298 2.882 20 5 EFBDMN CC1=NC(=S)N[C@H](c2ccccc2[N+](=O)[O-])C1C(=O)OCC(C)C ZINC000916191333 727666288 /nfs/dbraw/zinc/66/62/88/727666288.db2.gz YFJNSQQWDLXOJX-CQSZACIVSA-N 0 1 349.412 2.587 20 5 EFBDMN CC(C)OCCN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000154113206 727715506 /nfs/dbraw/zinc/71/55/06/727715506.db2.gz SZJQGKXHUDURQR-UHFFFAOYSA-N 0 1 341.839 2.791 20 5 EFBDMN COc1ccccc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154234528 727750368 /nfs/dbraw/zinc/75/03/68/727750368.db2.gz HXRNPBBBPILIHN-UHFFFAOYSA-N 0 1 340.332 2.852 20 5 EFBDMN O=[N+]([O-])c1ncccc1N1CCN(Cc2cccc3cccnc32)CC1 ZINC000917037748 727756222 /nfs/dbraw/zinc/75/62/22/727756222.db2.gz JVYVINWKQMKGJI-UHFFFAOYSA-N 0 1 349.394 2.860 20 5 EFBDMN C[C@H]1CCCC[N@H+]1CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000917069431 727763752 /nfs/dbraw/zinc/76/37/52/727763752.db2.gz WXVZCDYYTLADFX-WOLRVDTOSA-N 0 1 333.388 2.979 20 5 EFBDMN O=C([O-])/C=C/c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000917081612 727765916 /nfs/dbraw/zinc/76/59/16/727765916.db2.gz BGKGBXNFCSBOKR-HXINVUTJSA-N 0 1 331.372 2.731 20 5 EFBDMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000913103176 727783122 /nfs/dbraw/zinc/78/31/22/727783122.db2.gz KTLDPKGOOAGSEZ-DZGCQCFKSA-N 0 1 343.383 2.828 20 5 EFBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)nc1 ZINC000221853843 727897842 /nfs/dbraw/zinc/89/78/42/727897842.db2.gz MEUIBQTZVUSCFI-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCc3c(C)cccc3C2)c1[N+](=O)[O-] ZINC000171809742 728554285 /nfs/dbraw/zinc/55/42/85/728554285.db2.gz ODHHKJXULCGGGN-UHFFFAOYSA-N 0 1 328.372 2.777 20 5 EFBDMN C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Cl)cc2[nH]1 ZINC000171800713 728554526 /nfs/dbraw/zinc/55/45/26/728554526.db2.gz STUYNYHEHKKINA-MRVPVSSYSA-N 0 1 349.734 2.625 20 5 EFBDMN O=C(CSc1n[nH]c(=S)s1)NCc1ccc([N+](=O)[O-])cc1 ZINC000175030298 729474194 /nfs/dbraw/zinc/47/41/94/729474194.db2.gz HGMFBROZMIQZSK-UHFFFAOYSA-N 0 1 342.427 2.517 20 5 EFBDMN C[C@H](NCC(=O)Nc1cccnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180447619 729742445 /nfs/dbraw/zinc/74/24/45/729742445.db2.gz FDUGOXNHCXKUCW-JTQLQIEISA-N 0 1 334.763 2.933 20 5 EFBDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001589604766 949229451 /nfs/dbraw/zinc/22/94/51/949229451.db2.gz HADBRQSISSDJSS-QGZVFWFLSA-N 0 1 349.387 2.500 20 5 EFBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001589604764 949232302 /nfs/dbraw/zinc/23/23/02/949232302.db2.gz HADBRQSISSDJSS-KRWDZBQOSA-N 0 1 349.387 2.500 20 5 EFBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235431718 949863915 /nfs/dbraw/zinc/86/39/15/949863915.db2.gz LKBHOBOUZMXMBC-CYBMUJFWSA-N 0 1 343.177 2.654 20 5 EFBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901514013 956332010 /nfs/dbraw/zinc/33/20/10/956332010.db2.gz ZDFVWLQQBQPHSC-CYBMUJFWSA-N 0 1 332.278 2.910 20 5 EFBDMN COc1cc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001594056227 958039634 /nfs/dbraw/zinc/03/96/34/958039634.db2.gz JOQSHTRVLORMHL-NSHDSACASA-N 0 1 340.351 2.819 20 5 EFBDMN O=C([O-])C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C1CCC1 ZINC001574716220 962723051 /nfs/dbraw/zinc/72/30/51/962723051.db2.gz MFYFPQYKOGTVME-UHFFFAOYSA-N 0 1 343.177 2.796 20 5 EFBDMN CN(CC[C@H]1CCCC[N@H+]1C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844209756 979362195 /nfs/dbraw/zinc/36/21/95/979362195.db2.gz MXQHCYKANDDBRI-CQSZACIVSA-N 0 1 335.404 2.533 20 5 EFBDMN CC[C@@](C)(C(=O)[O-])[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000851706563 979572333 /nfs/dbraw/zinc/57/23/33/979572333.db2.gz DEPJCAULFKGXGM-RDJZCZTQSA-N 0 1 336.388 2.594 20 5 EFBDMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000902009856 980688327 /nfs/dbraw/zinc/68/83/27/980688327.db2.gz JKTCWYOBNZAQBK-VIFPVBQESA-N 0 1 343.177 2.796 20 5 EFBDMN O=C([O-])c1ccc2c(c1)CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000903619148 980997191 /nfs/dbraw/zinc/99/71/91/980997191.db2.gz TUXPAAZCZHTFAN-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]([C@@H]2CCCO2)C1 ZINC000903942665 981065782 /nfs/dbraw/zinc/06/57/82/981065782.db2.gz FDMBLNZFBJFIQO-UPJWGTAASA-N 0 1 340.401 2.501 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]([C@@H]2CCCO2)C1 ZINC000903942665 981065785 /nfs/dbraw/zinc/06/57/85/981065785.db2.gz FDMBLNZFBJFIQO-UPJWGTAASA-N 0 1 340.401 2.501 20 5 EFBDMN O=C([O-])Cc1ccccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903962141 981078121 /nfs/dbraw/zinc/07/81/21/981078121.db2.gz AQFUZYRWJBZJMP-UHFFFAOYSA-N 0 1 326.352 2.780 20 5 EFBDMN O=C([O-])Cc1ccccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903962141 981078127 /nfs/dbraw/zinc/07/81/27/981078127.db2.gz AQFUZYRWJBZJMP-UHFFFAOYSA-N 0 1 326.352 2.780 20 5 EFBDMN C[C@H]([NH2+][C@@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1[N+](=O)[O-] ZINC001599902310 984859577 /nfs/dbraw/zinc/85/95/77/984859577.db2.gz XMFQZHDTAXFKEK-CMPLNLGQSA-N 0 1 330.344 2.675 20 5 EFBDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC001589732812 987968680 /nfs/dbraw/zinc/96/86/80/987968680.db2.gz YDTUTBSDZFKQEZ-HNNXBMFYSA-N 0 1 336.388 2.930 20 5 EFBDMN C[N@@H+](CCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC001598469390 992001134 /nfs/dbraw/zinc/00/11/34/992001134.db2.gz FMAAWWYIDZZMKY-UHFFFAOYSA-N 0 1 349.387 2.886 20 5 EFBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001598502480 992453203 /nfs/dbraw/zinc/45/32/03/992453203.db2.gz XWWWWTVIVSIRDH-FPLPWBNLSA-N 0 1 330.340 2.960 20 5 EFBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC001598506782 992514068 /nfs/dbraw/zinc/51/40/68/992514068.db2.gz GJISOXKXSHZBSF-SFHVURJKSA-N 0 1 344.367 2.633 20 5 EFBDMN C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598518707 992651158 /nfs/dbraw/zinc/65/11/58/992651158.db2.gz VLIHJGSZINXVLE-UHFFFAOYSA-N 0 1 348.330 2.829 20 5 EFBDMN C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1(C(=O)[O-])CCCCC1 ZINC001598537819 992861394 /nfs/dbraw/zinc/86/13/94/992861394.db2.gz PROXLMBLCNQESH-UHFFFAOYSA-N 0 1 333.344 2.955 20 5 EFBDMN C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1(C(=O)[O-])CCCCC1 ZINC001598537819 992861401 /nfs/dbraw/zinc/86/14/01/992861401.db2.gz PROXLMBLCNQESH-UHFFFAOYSA-N 0 1 333.344 2.955 20 5 EFBDMN CC(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001591629834 992927816 /nfs/dbraw/zinc/92/78/16/992927816.db2.gz VMJDXNHYUYRPDX-UHFFFAOYSA-N 0 1 341.795 2.867 20 5 EFBDMN C[N@H+]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC001598619592 993975099 /nfs/dbraw/zinc/97/50/99/993975099.db2.gz OBLGZBNLVMWABE-UHFFFAOYSA-N 0 1 347.415 2.743 20 5 EFBDMN C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593458945 995371825 /nfs/dbraw/zinc/37/18/25/995371825.db2.gz LHRHSXADWPAZMG-CYBMUJFWSA-N 0 1 344.367 2.676 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCc2sc(CN)nc2C1 ZINC001574979998 1088185750 /nfs/dbraw/zinc/18/57/50/1088185750.db2.gz OTCQIUKCHBWBIR-KPKJPENVSA-N 0 1 344.440 2.972 20 5 EFBDMN COc1ccc([C@H](C)NC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)cc1 ZINC001579193940 1090542133 /nfs/dbraw/zinc/54/21/33/1090542133.db2.gz YDIWXZDLYCGSGA-SGTLLEGYSA-N 0 1 343.383 2.655 20 5 EFBDMN Cc1cc(CN)oc1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001579595985 1090639700 /nfs/dbraw/zinc/63/97/00/1090639700.db2.gz OQMFQDPSTGWLGA-CQSZACIVSA-N 0 1 343.383 2.975 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1OCCNC2 ZINC001579734388 1090674269 /nfs/dbraw/zinc/67/42/69/1090674269.db2.gz QVIJTXHNENCUBX-UHFFFAOYSA-N 0 1 327.340 2.638 20 5 EFBDMN Cc1ccc(CNCc2ccc(-c3nn[nH]n3)c(F)c2)cc1[N+](=O)[O-] ZINC001581199110 1091091803 /nfs/dbraw/zinc/09/18/03/1091091803.db2.gz GQFKLLRLFGZKET-UHFFFAOYSA-N 0 1 342.334 2.512 20 5 EFBDMN Cc1ccc([C@H](C)OC(=O)c2ccc(-c3nn[nH]n3)o2)cc1[N+](=O)[O-] ZINC001581213758 1091094983 /nfs/dbraw/zinc/09/49/83/1091094983.db2.gz JMRCNPVPDFXOKP-VIFPVBQESA-N 0 1 343.299 2.594 20 5 EFBDMN CC[C@H](C)CON=c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001590409662 1093409706 /nfs/dbraw/zinc/40/97/06/1093409706.db2.gz IVPWRLZVPROMET-VIFPVBQESA-N 0 1 343.347 2.713 20 5 EFBDMN CCC(CC)[C@@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[NH+](C)C ZINC001590432968 1093420049 /nfs/dbraw/zinc/42/00/49/1093420049.db2.gz TXQVKNVJJYYBLG-OAHLLOKOSA-N 0 1 347.423 2.553 20 5 EFBDMN Cc1ccc(CNCc2ccc(-c3nn[nH]n3)c(C)c2)cc1[N+](=O)[O-] ZINC001591969309 1093938114 /nfs/dbraw/zinc/93/81/14/1093938114.db2.gz XTAGUVSZKPZRHJ-UHFFFAOYSA-N 0 1 338.371 2.682 20 5 EFBDMN Cc1cc(-n2cccn2)ccc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000785175032 1094307294 /nfs/dbraw/zinc/30/72/94/1094307294.db2.gz GXDZAFOGFXUTQF-UHFFFAOYSA-N 0 1 326.312 2.774 20 5 EFBDMN COC(=O)N1CCC[C@H](Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000782947907 1094542434 /nfs/dbraw/zinc/54/24/34/1094542434.db2.gz OJQXZHYGUHFADT-LBPRGKRZSA-N 0 1 344.371 2.516 20 5 EFBDMN CO[C@@H](CNc1cc(C)nc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000782953145 1094558889 /nfs/dbraw/zinc/55/88/89/1094558889.db2.gz QCCWDCUEHSOYSF-ZDUSSCGKSA-N 0 1 329.278 2.863 20 5 EFBDMN Cc1c(NC(=O)CC[N@H+]2CCCCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001600031656 1094729661 /nfs/dbraw/zinc/72/96/61/1094729661.db2.gz AIAYMQQNFOULSN-HNNXBMFYSA-N 0 1 349.387 2.561 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001600304798 1094956660 /nfs/dbraw/zinc/95/66/60/1094956660.db2.gz MLNBTVQCRHGITM-UHFFFAOYSA-N 0 1 344.367 2.999 20 5 EFBDMN Cc1ccc(C[N@H+](CCO)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001600411414 1095043992 /nfs/dbraw/zinc/04/39/92/1095043992.db2.gz JYMIQXCZEPJJGI-UHFFFAOYSA-N 0 1 344.367 2.596 20 5 EFBDMN Cc1ccc(C[N@@H+](CCO)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001600411414 1095044011 /nfs/dbraw/zinc/04/40/11/1095044011.db2.gz JYMIQXCZEPJJGI-UHFFFAOYSA-N 0 1 344.367 2.596 20 5 EFBDMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001601692561 1095826051 /nfs/dbraw/zinc/82/60/51/1095826051.db2.gz UERFGIAGLSKGOG-MRXNPFEDSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001601692561 1095826073 /nfs/dbraw/zinc/82/60/73/1095826073.db2.gz UERFGIAGLSKGOG-MRXNPFEDSA-N 0 1 330.315 2.918 20 5 EFBDMN O=C([O-])C1(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)CC1 ZINC001601708769 1095855133 /nfs/dbraw/zinc/85/51/33/1095855133.db2.gz JSZLRQCBPKDQOL-SHTZXODSSA-N 0 1 348.399 2.565 20 5 EFBDMN O=C([O-])[C@@H]1[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1(F)F ZINC001601748748 1095887100 /nfs/dbraw/zinc/88/71/00/1095887100.db2.gz IRKMODAWGGEQJG-OLZOCXBDSA-N 0 1 326.299 2.525 20 5 EFBDMN O=C([O-])[C@@H]1[C@@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1(F)F ZINC001601753531 1095890017 /nfs/dbraw/zinc/89/00/17/1095890017.db2.gz WFUFMGPIRQPMSM-BNOWGMLFSA-N 0 1 340.326 2.740 20 5 EFBDMN O=C([O-])COc1ccc(CNc2cc(C3CC3)cc[nH+]2)cc1[N+](=O)[O-] ZINC001602084989 1096052925 /nfs/dbraw/zinc/05/29/25/1096052925.db2.gz OZBTXZSYLJBYTB-UHFFFAOYSA-N 0 1 343.339 2.943 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC001602083326 1096053225 /nfs/dbraw/zinc/05/32/25/1096053225.db2.gz LYSWQJBGOTXYTQ-AWEZNQCLSA-N 0 1 334.372 2.680 20 5 EFBDMN O=C([O-])COc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC001602083327 1096053493 /nfs/dbraw/zinc/05/34/93/1096053493.db2.gz LYSWQJBGOTXYTQ-CQSZACIVSA-N 0 1 334.372 2.680 20 5 EFBDMN O=C([O-])c1c(Cl)c(N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC001602232253 1096129148 /nfs/dbraw/zinc/12/91/48/1096129148.db2.gz GZPXZSWKGDVQCK-QMMMGPOBSA-N 0 1 336.735 2.570 20 5 EFBDMN CC(C)(C)[N@H+]1CC[C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001603343842 1096509342 /nfs/dbraw/zinc/50/93/42/1096509342.db2.gz QDXOVJJVNVHCPV-ZDUSSCGKSA-N 0 1 335.404 2.754 20 5 EFBDMN CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001603345285 1096509803 /nfs/dbraw/zinc/50/98/03/1096509803.db2.gz HLHMDRMFCKNMBJ-IYNGYCSASA-N 0 1 333.388 2.977 20 5 EFBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC001604091607 1096729739 /nfs/dbraw/zinc/72/97/39/1096729739.db2.gz TWLKDCPBBAXBJK-INIZCTEOSA-N 0 1 333.319 2.609 20 5 EFBDMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604383273 1096834227 /nfs/dbraw/zinc/83/42/27/1096834227.db2.gz ITFMFGLGLLQRPX-WFASDCNBSA-N 0 1 336.388 2.809 20 5 EFBDMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001604652969 1096924179 /nfs/dbraw/zinc/92/41/79/1096924179.db2.gz STXVSTYBDVBGSD-PEGIJTEDSA-N 0 1 337.332 2.577 20 5 EFBDMN CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001605323916 1097095677 /nfs/dbraw/zinc/09/56/77/1097095677.db2.gz MZAQJQHUGFKWPZ-SECBINFHSA-N 0 1 327.768 2.843 20 5 EFBDMN CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)[C@@H](C)C1 ZINC001605479158 1097134840 /nfs/dbraw/zinc/13/48/40/1097134840.db2.gz USYJTHRZBJRIJO-JTQLQIEISA-N 0 1 341.795 2.867 20 5 EFBDMN CCc1[nH+]ccn1CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001605863453 1097257878 /nfs/dbraw/zinc/25/78/78/1097257878.db2.gz HJIKZDSQXWILSS-XQRVVYSFSA-N 0 1 330.344 2.564 20 5 EFBDMN C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001606260230 1097358507 /nfs/dbraw/zinc/35/85/07/1097358507.db2.gz ZNRAIRJLNDKOAC-KRWDZBQOSA-N 0 1 341.367 2.821 20 5 EFBDMN C[N@H+]1Cc2ccccc2[C@@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001606260230 1097358510 /nfs/dbraw/zinc/35/85/10/1097358510.db2.gz ZNRAIRJLNDKOAC-KRWDZBQOSA-N 0 1 341.367 2.821 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CSc1ccc(-c2nn[nH]n2)cc1 ZINC001607081678 1097508959 /nfs/dbraw/zinc/50/89/59/1097508959.db2.gz ICCFYMQOWBRQCC-UHFFFAOYSA-N 0 1 329.341 2.773 20 5 EFBDMN O=[N+]([O-])c1cn(Cc2ccc(C3CCCC3)cc2)nc1-c1nn[nH]n1 ZINC001607086626 1097510450 /nfs/dbraw/zinc/51/04/50/1097510450.db2.gz RIEDZDQUQJCSDZ-UHFFFAOYSA-N 0 1 339.359 2.677 20 5 EFBDMN COc1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001607251527 1097574741 /nfs/dbraw/zinc/57/47/41/1097574741.db2.gz GSSOXQYGRGBRJX-UHFFFAOYSA-N 0 1 330.340 2.934 20 5 EFBDMN COc1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001607251527 1097574745 /nfs/dbraw/zinc/57/47/45/1097574745.db2.gz GSSOXQYGRGBRJX-UHFFFAOYSA-N 0 1 330.340 2.934 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001607709676 1097705171 /nfs/dbraw/zinc/70/51/71/1097705171.db2.gz NUYBQWWGJIPKAE-KRWDZBQOSA-N 0 1 326.352 2.915 20 5 EFBDMN O=C([O-])[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001608656615 1097979506 /nfs/dbraw/zinc/97/95/06/1097979506.db2.gz XAOKAJYEGIKCFP-INIZCTEOSA-N 0 1 328.324 2.615 20 5 EFBDMN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001608656615 1097979513 /nfs/dbraw/zinc/97/95/13/1097979513.db2.gz XAOKAJYEGIKCFP-INIZCTEOSA-N 0 1 328.324 2.615 20 5 EFBDMN O=C([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC001608977599 1098095719 /nfs/dbraw/zinc/09/57/19/1098095719.db2.gz ROWWQEDIYHYEJF-CYBMUJFWSA-N 0 1 334.376 2.507 20 5 EFBDMN COc1cc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001610292977 1098605542 /nfs/dbraw/zinc/60/55/42/1098605542.db2.gz NFCDQKYDCNGZRY-UHFFFAOYSA-N 0 1 330.340 2.934 20 5 EFBDMN COc1ccc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000840284898 1100979511 /nfs/dbraw/zinc/97/95/11/1100979511.db2.gz 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CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)c1cc(C)[nH]n1 ZINC001106692060 1111725580 /nfs/dbraw/zinc/72/55/80/1111725580.db2.gz LTRXIVSVROBXMN-UHFFFAOYSA-N 0 1 331.376 2.509 20 5 EFBDMN CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc([S@@](C)=O)cc1 ZINC000178414528 529928208 /nfs/dbraw/zinc/92/82/08/529928208.db2.gz DATOTAXVGSWXMB-XMMPIXPASA-N 0 1 348.424 2.843 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](c1ccco1)N(C)C ZINC000101589067 219143109 /nfs/dbraw/zinc/14/31/09/219143109.db2.gz ZCDLTRPLQSBOKZ-OAHLLOKOSA-N 0 1 333.388 2.979 20 5 EFBDMN CCCCO[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201127 219269459 /nfs/dbraw/zinc/26/94/59/219269459.db2.gz HAPFXUJYSXQWHO-JTQLQIEISA-N 0 1 333.348 2.524 20 5 EFBDMN Cc1cc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ncc1[N+](=O)[O-] ZINC000179597380 233200734 /nfs/dbraw/zinc/20/07/34/233200734.db2.gz VWLPICLXVLGEBT-GFCCVEGCSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1cc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ncc1[N+](=O)[O-] ZINC000179597380 233200741 /nfs/dbraw/zinc/20/07/41/233200741.db2.gz VWLPICLXVLGEBT-GFCCVEGCSA-N 0 1 328.376 2.678 20 5 EFBDMN Cc1c([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000183391261 235044394 /nfs/dbraw/zinc/04/43/94/235044394.db2.gz QWZWPBHSMZWDLP-RYUDHWBXSA-N 0 1 345.403 2.623 20 5 EFBDMN CN(C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000131651938 223254459 /nfs/dbraw/zinc/25/44/59/223254459.db2.gz SFRCBKGRRLECIS-ZDUSSCGKSA-N 0 1 337.376 2.828 20 5 EFBDMN C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1CO ZINC000191730381 239268129 /nfs/dbraw/zinc/26/81/29/239268129.db2.gz XXVBPIFBQOLWOP-YPMHNXCESA-N 0 1 333.413 2.779 20 5 EFBDMN Cc1cc2[nH]ncc2cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000360427975 242198644 /nfs/dbraw/zinc/19/86/44/242198644.db2.gz LFGWJEVLFRQGNM-UHFFFAOYSA-N 0 1 339.355 2.854 20 5 EFBDMN CCOc1cc(CN2CCC[C@](C)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000412058255 243103606 /nfs/dbraw/zinc/10/36/06/243103606.db2.gz AAOPSCSXGVOAAR-KRWDZBQOSA-N 0 1 336.388 2.769 20 5 EFBDMN CCOc1cc(CN2CCC[C@@](C)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000412058256 243103870 /nfs/dbraw/zinc/10/38/70/243103870.db2.gz AAOPSCSXGVOAAR-QGZVFWFLSA-N 0 1 336.388 2.769 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2Cc3ccc(C(C)=O)cc3C2)c1[N+](=O)[O-] ZINC000412539071 243356673 /nfs/dbraw/zinc/35/66/73/243356673.db2.gz YXLSYYOLAJBPCU-UHFFFAOYSA-N 0 1 342.355 2.629 20 5 EFBDMN C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000412666303 243375787 /nfs/dbraw/zinc/37/57/87/243375787.db2.gz YOVPQMSQFLNIQR-SSDOTTSWSA-N 0 1 330.266 2.789 20 5 EFBDMN CCc1nc(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n[nH]1 ZINC000253494091 244004132 /nfs/dbraw/zinc/00/41/32/244004132.db2.gz WJUHVQXAKFEVEN-SSDOTTSWSA-N 0 1 339.352 2.534 20 5 EFBDMN CCc1n[nH]c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC000253494091 244004142 /nfs/dbraw/zinc/00/41/42/244004142.db2.gz WJUHVQXAKFEVEN-SSDOTTSWSA-N 0 1 339.352 2.534 20 5 EFBDMN CCc1ccc([C@H](NC[C@@H]2CNC(=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414199958 244044410 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EFBDMN CCCc1[nH]nc(C(=O)N2CCC(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000081312348 217382134 /nfs/dbraw/zinc/38/21/34/217382134.db2.gz ZDDMWLULFVGKLY-UHFFFAOYSA-N 0 1 334.298 2.685 20 5 EFBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC(OC(C)(C)C)C1 ZINC000421687583 246064406 /nfs/dbraw/zinc/06/44/06/246064406.db2.gz FOEBQEBHOGITJT-UHFFFAOYSA-N 0 1 346.387 2.889 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000421791791 246118804 /nfs/dbraw/zinc/11/88/04/246118804.db2.gz KUOYJADVFIIHHO-NSHDSACASA-N 0 1 331.376 2.944 20 5 EFBDMN COc1ccc(CNCc2ccnc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000264347642 246382580 /nfs/dbraw/zinc/38/25/80/246382580.db2.gz PGKBASSMGJQGTP-UHFFFAOYSA-N 0 1 342.399 2.888 20 5 EFBDMN CC(C)N1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425380997 247064934 /nfs/dbraw/zinc/06/49/34/247064934.db2.gz DYBJPARCBKFWSL-UHFFFAOYSA-N 0 1 342.237 2.883 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)[C@@H]1CCCC[C@H]1O ZINC000426248708 247254022 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Cc1[nH]nc(C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000266112387 248105357 /nfs/dbraw/zinc/10/53/57/248105357.db2.gz HRLVGKOPXILNNG-RNCFNFMXSA-N 0 1 332.335 2.989 20 5 EFBDMN CN(C)C(=O)[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266506348 248335526 /nfs/dbraw/zinc/33/55/26/248335526.db2.gz WSFUILAEJDYFFV-QGZVFWFLSA-N 0 1 327.384 2.556 20 5 EFBDMN C[C@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011472861 211218856 /nfs/dbraw/zinc/21/88/56/211218856.db2.gz DKFGUSWGPREQBL-QMMMGPOBSA-N 0 1 333.373 2.710 20 5 EFBDMN C[C@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011472861 211218858 /nfs/dbraw/zinc/21/88/58/211218858.db2.gz DKFGUSWGPREQBL-QMMMGPOBSA-N 0 1 333.373 2.710 20 5 EFBDMN CCN(CCC(=O)OC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092380292 218138254 /nfs/dbraw/zinc/13/82/54/218138254.db2.gz FDHWKKGAFUCUEB-UHFFFAOYSA-N 0 1 332.303 2.581 20 5 EFBDMN COc1cc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000442671775 250098591 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EFBDMN Cn1ccnc1[C@H](N[C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000449188046 250946239 /nfs/dbraw/zinc/94/62/39/250946239.db2.gz NCFBJXPRRBYQJJ-FRFSOERESA-N 0 1 344.415 2.558 20 5 EFBDMN NC(=O)c1cccc(CN(Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)c1 ZINC000449409888 251016111 /nfs/dbraw/zinc/01/61/11/251016111.db2.gz SDZOFPCZDMEDCC-UHFFFAOYSA-N 0 1 341.367 2.564 20 5 EFBDMN C[C@@H](N[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000267434005 251054104 /nfs/dbraw/zinc/05/41/04/251054104.db2.gz HNEKAFXALSAFPJ-NEPJUHHUSA-N 0 1 349.412 2.654 20 5 EFBDMN CCO[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000449503090 251044775 /nfs/dbraw/zinc/04/47/75/251044775.db2.gz XHNIWXKDHDWMQR-WBMJQRKESA-N 0 1 336.388 2.708 20 5 EFBDMN CCOCCCNC(=O)[C@@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000267424112 251045213 /nfs/dbraw/zinc/04/52/13/251045213.db2.gz LCTQRDOTDFIJFC-CJNGLKHVSA-N 0 1 337.420 2.567 20 5 EFBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H](C)n2ccnc21 ZINC000449569089 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LCEXQGHYUZDVGS-LBPRGKRZSA-N 0 1 338.205 2.808 20 5 EFBDMN COCC1=CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000187619976 533159394 /nfs/dbraw/zinc/15/93/94/533159394.db2.gz MHJFNMRFYUYFOD-UHFFFAOYSA-N 0 1 342.399 2.774 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCSC2(CCOCC2)C1 ZINC000186829818 533218769 /nfs/dbraw/zinc/21/87/69/533218769.db2.gz ITEQOBHAKLXDRI-UHFFFAOYSA-N 0 1 338.429 2.701 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C2(C)OCCO2)C1 ZINC000183820728 533219169 /nfs/dbraw/zinc/21/91/69/533219169.db2.gz ACEFFLYAEWHNDQ-AWEZNQCLSA-N 0 1 336.388 2.578 20 5 EFBDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000344434737 142016382 /nfs/dbraw/zinc/01/63/82/142016382.db2.gz DKVKHOGGMWIRLG-ZDUSSCGKSA-N 0 1 341.327 2.903 20 5 EFBDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000344455216 142019673 /nfs/dbraw/zinc/01/96/73/142019673.db2.gz XGPKDUJSSFGSNC-AWEZNQCLSA-N 0 1 341.327 2.903 20 5 EFBDMN 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O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H]1c1ccccc1 ZINC000343571734 145240880 /nfs/dbraw/zinc/24/08/80/145240880.db2.gz JMUHKGRZWMEOPC-JKSUJKDBSA-N 0 1 328.368 2.782 20 5 EFBDMN O=C1NC[C@H]2[C@H]1CCCN2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000343622020 145254920 /nfs/dbraw/zinc/25/49/20/145254920.db2.gz MYBHDFWEOBWYTE-CVEARBPZSA-N 0 1 341.367 2.565 20 5 EFBDMN C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC(C)(C)C1 ZINC000344056723 145357250 /nfs/dbraw/zinc/35/72/50/145357250.db2.gz KBODISARKDKEQV-CYBMUJFWSA-N 0 1 331.416 2.852 20 5 EFBDMN O=C(CN1CCC[C@@H](C2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344072053 145361567 /nfs/dbraw/zinc/36/15/67/145361567.db2.gz SDFQNTZAFMLKBQ-OAHLLOKOSA-N 0 1 329.400 2.606 20 5 EFBDMN Cc1cc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000345060527 145454070 /nfs/dbraw/zinc/45/40/70/145454070.db2.gz GWRGQIPFDDWAEG-QZTJIDSGSA-N 0 1 339.395 2.731 20 5 EFBDMN Cc1noc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)C2CCOCC2)n1 ZINC000345825681 145630019 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EFBDMN C[C@@](O)(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000281982150 273497339 /nfs/dbraw/zinc/49/73/39/273497339.db2.gz VDLOQRSQMRBVJE-CQSZACIVSA-N 0 1 348.321 2.751 20 5 EFBDMN C[C@@H](Cn1cccn1)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000282610669 273588693 /nfs/dbraw/zinc/58/86/93/273588693.db2.gz NNTKIEFTDUQFCV-JTQLQIEISA-N 0 1 326.303 2.571 20 5 EFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(CCOCC2)CC1 ZINC000284780591 273886805 /nfs/dbraw/zinc/88/68/05/273886805.db2.gz NWBIYSFCEKNPKI-CQSZACIVSA-N 0 1 347.415 2.814 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285446311 274000997 /nfs/dbraw/zinc/00/09/97/274000997.db2.gz GBMDJXLKFULKJK-CQSZACIVSA-N 0 1 348.321 2.753 20 5 EFBDMN CC(C)(O)CON=c1cc(C(F)(F)C(F)(F)F)[n-]cc1[N+](=O)[O-] ZINC000285578297 274029703 /nfs/dbraw/zinc/02/97/03/274029703.db2.gz KJGZEZHEAQROGU-UHFFFAOYSA-N 0 1 345.224 2.758 20 5 EFBDMN CC(C)(O)CON=c1cc(C(F)(F)C(F)(F)F)[nH]cc1[N+](=O)[O-] ZINC000285578297 274029704 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EFBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)c1[N+](=O)[O-] ZINC000286046296 274122944 /nfs/dbraw/zinc/12/29/44/274122944.db2.gz QBXHEGDFGSYWPZ-NSHDSACASA-N 0 1 332.364 2.532 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1[N+](=O)[O-] ZINC000286049942 274123792 /nfs/dbraw/zinc/12/37/92/274123792.db2.gz CFKOVXVYWKRMRB-QPUJVOFHSA-N 0 1 347.202 2.536 20 5 EFBDMN CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CCN1CCOC ZINC000286062822 274125868 /nfs/dbraw/zinc/12/58/68/274125868.db2.gz APIBUQKGIJZUJT-MRXNPFEDSA-N 0 1 349.431 2.735 20 5 EFBDMN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](C)N(C)C[C@@H]1C ZINC000450415501 274140399 /nfs/dbraw/zinc/14/03/99/274140399.db2.gz BLDTVTFNHQGJHO-RYUDHWBXSA-N 0 1 330.388 2.680 20 5 EFBDMN CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286671876 274247821 /nfs/dbraw/zinc/24/78/21/274247821.db2.gz KRNWKACZWYOZOU-MRXNPFEDSA-N 0 1 348.447 2.653 20 5 EFBDMN Cc1c(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000286740195 274263161 /nfs/dbraw/zinc/26/31/61/274263161.db2.gz YBPKXQGWLGTKIH-QWHCGFSZSA-N 0 1 332.322 2.896 20 5 EFBDMN CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000287224302 274371894 /nfs/dbraw/zinc/37/18/94/274371894.db2.gz VNKJXCFYSRUQDT-UHFFFAOYSA-N 0 1 347.375 2.569 20 5 EFBDMN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000266265225 275032954 /nfs/dbraw/zinc/03/29/54/275032954.db2.gz QAUDMUKXBCYEOP-GFCCVEGCSA-N 0 1 338.205 2.808 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(CCCCO)CC2)c(C(F)(F)F)c1 ZINC000264028767 275036227 /nfs/dbraw/zinc/03/62/27/275036227.db2.gz ZHAQJRRDEOSPDA-UHFFFAOYSA-N 0 1 347.337 2.508 20 5 EFBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CCO)c1ccco1 ZINC000186524779 533689410 /nfs/dbraw/zinc/68/94/10/533689410.db2.gz PUHPOOMCZNZYEO-IUODEOHRSA-N 0 1 347.371 2.618 20 5 EFBDMN CCC[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCN1CCOC ZINC000346677100 276276579 /nfs/dbraw/zinc/27/65/79/276276579.db2.gz VEGQSDFISYDULA-CYBMUJFWSA-N 0 1 342.827 2.580 20 5 EFBDMN CC(C)(CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000328567217 277297293 /nfs/dbraw/zinc/29/72/93/277297293.db2.gz NOYKUJWPZPXLMX-UHFFFAOYSA-N 0 1 330.381 2.839 20 5 EFBDMN COc1cccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1[N+](=O)[O-] ZINC000337647391 278008353 /nfs/dbraw/zinc/00/83/53/278008353.db2.gz IUFWTBPHIPZRFT-UHFFFAOYSA-N 0 1 330.222 2.598 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000269156845 280187694 /nfs/dbraw/zinc/18/76/94/280187694.db2.gz QVVAVDWIYRRWPN-STQMWFEESA-N 0 1 348.403 2.770 20 5 EFBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261768045 280192025 /nfs/dbraw/zinc/19/20/25/280192025.db2.gz MDMBEZQGFCDFIQ-GFCCVEGCSA-N 0 1 335.747 2.628 20 5 EFBDMN O=C1C[C@@H](c2ccccc2)N(Cc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000054395353 280270124 /nfs/dbraw/zinc/27/01/24/280270124.db2.gz KPGQIKKPBOPCBD-KRWDZBQOSA-N 0 1 325.368 2.658 20 5 EFBDMN C[N@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000429695901 290047842 /nfs/dbraw/zinc/04/78/42/290047842.db2.gz IEJVBSIAPLQHMV-SFHVURJKSA-N 0 1 327.384 2.789 20 5 EFBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(O)c1F ZINC000127895996 293084822 /nfs/dbraw/zinc/08/48/22/293084822.db2.gz CBPBBZQDHKBDSW-UHFFFAOYSA-N 0 1 326.305 2.549 20 5 EFBDMN COc1cc(CNCCNc2cccc(C)n2)c([N+](=O)[O-])cc1OC ZINC000133506013 293259300 /nfs/dbraw/zinc/25/93/00/293259300.db2.gz JZIKSHYICWCLLQ-UHFFFAOYSA-N 0 1 346.387 2.517 20 5 EFBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000153448869 293376163 /nfs/dbraw/zinc/37/61/63/293376163.db2.gz ABDKRACWALEJKI-SECBINFHSA-N 0 1 343.368 2.932 20 5 EFBDMN CCC[C@@H](NCCS(=O)(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000290415790 294080899 /nfs/dbraw/zinc/08/08/99/294080899.db2.gz ULCUGOJTIYJPDQ-OAHLLOKOSA-N 0 1 328.434 2.849 20 5 EFBDMN CC1(C)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1[C@H]1CCCO1 ZINC000290529195 294111920 /nfs/dbraw/zinc/11/19/20/294111920.db2.gz HSAKUDLYZKINBF-UKRRQHHQSA-N 0 1 344.371 2.501 20 5 EFBDMN CC1(C)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1[C@@H]1CCCO1 ZINC000290529186 294111976 /nfs/dbraw/zinc/11/19/76/294111976.db2.gz HSAKUDLYZKINBF-DZGCQCFKSA-N 0 1 344.371 2.501 20 5 EFBDMN CC[C@H](CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])OC ZINC000290844431 294201332 /nfs/dbraw/zinc/20/13/32/294201332.db2.gz IPCMGZRPLHIFGT-LLVKDONJSA-N 0 1 348.346 2.762 20 5 EFBDMN CC(C)NC(=O)c1ccc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000290865975 294206835 /nfs/dbraw/zinc/20/68/35/294206835.db2.gz ZDURZDMPSMLDMU-TZMCWYRMSA-N 0 1 346.431 2.770 20 5 EFBDMN Cc1cc(NC[C@H](C(C)C)N2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000290999960 294243172 /nfs/dbraw/zinc/24/31/72/294243172.db2.gz STYVXPKPNXKYGS-QGZVFWFLSA-N 0 1 338.427 2.726 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000291057972 294261451 /nfs/dbraw/zinc/26/14/51/294261451.db2.gz HPMDULZKERUEST-HNNXBMFYSA-N 0 1 326.356 2.876 20 5 EFBDMN CCc1[nH]nc(C(=O)N(Cc2ccc(Cl)cc2)OC)c1[N+](=O)[O-] ZINC000291061666 294262797 /nfs/dbraw/zinc/26/27/97/294262797.db2.gz KBKYFBSCASRZQV-UHFFFAOYSA-N 0 1 338.751 2.738 20 5 EFBDMN CC(C)(CCc1noc(-c2cccc(-c3nnc[nH]3)c2)n1)[N+](=O)[O-] ZINC000291088005 294270642 /nfs/dbraw/zinc/27/06/42/294270642.db2.gz OWCOYQVODLQZCH-UHFFFAOYSA-N 0 1 328.332 2.510 20 5 EFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)c(F)c1 ZINC000291154546 294292793 /nfs/dbraw/zinc/29/27/93/294292793.db2.gz BRUCFZVPTXFHSB-GOSISDBHSA-N 0 1 330.359 2.870 20 5 EFBDMN Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000293641266 295017453 /nfs/dbraw/zinc/01/74/53/295017453.db2.gz MEWQQEXYKCGYBQ-LURJTMIESA-N 0 1 343.265 2.531 20 5 EFBDMN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293733303 295037907 /nfs/dbraw/zinc/03/79/07/295037907.db2.gz MZPRZSPIOITCTG-OLZOCXBDSA-N 0 1 342.399 2.533 20 5 EFBDMN CSC1(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000294186241 295124437 /nfs/dbraw/zinc/12/44/37/295124437.db2.gz XDLZVADRRJUXNZ-UHFFFAOYSA-N 0 1 349.456 2.638 20 5 EFBDMN COc1cc(CN2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000295229719 295285195 /nfs/dbraw/zinc/28/51/95/295285195.db2.gz NSMJDNMWSOUIGE-ZDUSSCGKSA-N 0 1 338.404 2.595 20 5 EFBDMN CC(C)c1nc(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000295692821 295361706 /nfs/dbraw/zinc/36/17/06/295361706.db2.gz JSDQEMLKBFBQAQ-UHFFFAOYSA-N 0 1 331.376 2.890 20 5 EFBDMN C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295759909 295371967 /nfs/dbraw/zinc/37/19/67/295371967.db2.gz VQVUWFOAYMBKJX-NSHDSACASA-N 0 1 337.807 2.805 20 5 EFBDMN C[C@H](NCc1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000295971868 295404767 /nfs/dbraw/zinc/40/47/67/295404767.db2.gz IPFOKAXUHPYMCE-LBPRGKRZSA-N 0 1 334.397 2.849 20 5 EFBDMN CC1(C)[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCO[C@H]21 ZINC000296334268 295460174 /nfs/dbraw/zinc/46/01/74/295460174.db2.gz QWRQWKPNJOSUMC-NWANDNLSSA-N 0 1 344.371 2.548 20 5 EFBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000339161553 304804324 /nfs/dbraw/zinc/80/43/24/304804324.db2.gz SLOBMWXSMCDRPY-GOSISDBHSA-N 0 1 328.368 2.614 20 5 EFBDMN C[C@H](NCC(=O)NC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180447805 310799507 /nfs/dbraw/zinc/79/95/07/310799507.db2.gz YVECSEMLEUIYSB-LBPRGKRZSA-N 0 1 342.355 2.594 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000297303970 310878580 /nfs/dbraw/zinc/87/85/80/310878580.db2.gz HYCFSXQXKUKOAX-KBPBESRZSA-N 0 1 334.420 2.782 20 5 EFBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000298641803 311010337 /nfs/dbraw/zinc/01/03/37/311010337.db2.gz KUPKMVKHIKBDOH-AWEZNQCLSA-N 0 1 331.397 2.661 20 5 EFBDMN CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299004907 311041228 /nfs/dbraw/zinc/04/12/28/311041228.db2.gz KFQZKYDNXDZSGV-UHFFFAOYSA-N 0 1 346.387 2.896 20 5 EFBDMN COCCCCN(Cc1ccccc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299495417 311090378 /nfs/dbraw/zinc/09/03/78/311090378.db2.gz AXVGGPRADXBSKH-UHFFFAOYSA-N 0 1 346.387 2.695 20 5 EFBDMN COc1cc(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301342105 311132436 /nfs/dbraw/zinc/13/24/36/311132436.db2.gz GMASYATZYLMQGT-STQMWFEESA-N 0 1 337.420 2.903 20 5 EFBDMN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000301456163 311138301 /nfs/dbraw/zinc/13/83/01/311138301.db2.gz WVPNULUMXPRIBA-WDEREUQCSA-N 0 1 347.337 2.505 20 5 EFBDMN CC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301477162 311139442 /nfs/dbraw/zinc/13/94/42/311139442.db2.gz PADVLAKAQFUZKP-LBPRGKRZSA-N 0 1 347.337 2.507 20 5 EFBDMN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c(F)c1 ZINC000301858351 311162965 /nfs/dbraw/zinc/16/29/65/311162965.db2.gz CJPPQTINOWZGFD-JKSUJKDBSA-N 0 1 345.374 2.781 20 5 EFBDMN C[C@@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000302546625 311192737 /nfs/dbraw/zinc/19/27/37/311192737.db2.gz PALINEMAKKKLGQ-LLVKDONJSA-N 0 1 327.812 2.530 20 5 EFBDMN O=[N+]([O-])c1ccc(CCN2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000305127145 311216677 /nfs/dbraw/zinc/21/66/77/311216677.db2.gz ISOBFMLPMZUXOM-AWEZNQCLSA-N 0 1 332.322 2.773 20 5 EFBDMN CC[C@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000319177454 311237046 /nfs/dbraw/zinc/23/70/46/311237046.db2.gz JAFGOWLXNTZFBI-QWRGUYRKSA-N 0 1 330.381 2.981 20 5 EFBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000319229139 311237076 /nfs/dbraw/zinc/23/70/76/311237076.db2.gz UWEVASZWUGQGCN-JTQLQIEISA-N 0 1 330.381 2.981 20 5 EFBDMN NC(=O)c1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417316547 312208097 /nfs/dbraw/zinc/20/80/97/312208097.db2.gz UKBRFXKFVSSJPW-INIZCTEOSA-N 0 1 340.383 2.646 20 5 EFBDMN COCCn1cc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417336625 312211111 /nfs/dbraw/zinc/21/11/11/312211111.db2.gz VWIMXFUAXHKKGG-GOSISDBHSA-N 0 1 344.415 2.995 20 5 EFBDMN COC1(C(F)(F)F)CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000418090076 312323677 /nfs/dbraw/zinc/32/36/77/312323677.db2.gz KDZTZHDBMPIYAC-UHFFFAOYSA-N 0 1 334.294 2.844 20 5 EFBDMN COc1ccnc(N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000432338124 312557755 /nfs/dbraw/zinc/55/77/55/312557755.db2.gz UPVCMTSXGFTQFG-UHFFFAOYSA-N 0 1 348.790 2.978 20 5 EFBDMN CCNC(=O)C(C)(C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000453600983 312915491 /nfs/dbraw/zinc/91/54/91/312915491.db2.gz GBTMRLXPCORPCN-UHFFFAOYSA-N 0 1 331.372 2.859 20 5 EFBDMN CSc1cccc(C(=O)NCc2n[nH]c(C(C)(C)C)n2)c1[N+](=O)[O-] ZINC000458023839 313056782 /nfs/dbraw/zinc/05/67/82/313056782.db2.gz JAYKBHVDHROHKE-UHFFFAOYSA-N 0 1 349.416 2.662 20 5 EFBDMN CC(C)(C)c1nc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000458023963 313057092 /nfs/dbraw/zinc/05/70/92/313057092.db2.gz JNVOBNRRKOJKAM-UHFFFAOYSA-N 0 1 345.403 2.604 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCCN(C(=O)C2CC2)CC1 ZINC000470212856 313130545 /nfs/dbraw/zinc/13/05/45/313130545.db2.gz XXUFNUVACXQKQX-NTCAYCPXSA-N 0 1 343.427 2.942 20 5 EFBDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000472339812 313187034 /nfs/dbraw/zinc/18/70/34/313187034.db2.gz UTQYZWRBFUMOKY-SJORKVTESA-N 0 1 333.432 2.859 20 5 EFBDMN Cc1c(CNc2cc(C(C)C)nc(N(C)C)n2)cccc1[N+](=O)[O-] ZINC000477953992 313246960 /nfs/dbraw/zinc/24/69/60/313246960.db2.gz GVXNUDDOMOLIBE-UHFFFAOYSA-N 0 1 329.404 2.917 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCO)CC1CCCCC1 ZINC000485850753 313331987 /nfs/dbraw/zinc/33/19/87/313331987.db2.gz FQNJNBFQOFTGCG-UHFFFAOYSA-N 0 1 349.431 2.716 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCO)CC1CCCCC1 ZINC000485909028 313332258 /nfs/dbraw/zinc/33/22/58/313332258.db2.gz QWMITJHBTGQZGA-UHFFFAOYSA-N 0 1 349.431 2.716 20 5 EFBDMN CC(C)[C@@H]1CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000487160383 313371541 /nfs/dbraw/zinc/37/15/41/313371541.db2.gz XZBCFXOGUIFIMG-BBRMVZONSA-N 0 1 334.420 2.637 20 5 EFBDMN CO[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1OC ZINC000488542909 313493702 /nfs/dbraw/zinc/49/37/02/313493702.db2.gz KRLFQYGHWJBUBX-IAGOWNOFSA-N 0 1 332.356 2.700 20 5 EFBDMN Cn1nnc2cc(CNC(C)(C)c3ccccc3[N+](=O)[O-])ccc21 ZINC000492102458 313873985 /nfs/dbraw/zinc/87/39/85/313873985.db2.gz DYXIBJKBXOGIDC-UHFFFAOYSA-N 0 1 325.372 2.901 20 5 EFBDMN CCOc1cc(CN(CCO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000492606323 314054676 /nfs/dbraw/zinc/05/46/76/314054676.db2.gz JMFIRUYSDIIEAB-UHFFFAOYSA-N 0 1 330.384 2.988 20 5 EFBDMN CCOc1cc(CN2CCC([C@@H](C)NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000492819899 314137294 /nfs/dbraw/zinc/13/72/94/314137294.db2.gz UOSKMQMBSPPQDR-CYBMUJFWSA-N 0 1 349.431 2.730 20 5 EFBDMN C[C@]1(CO)CCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493608137 314416859 /nfs/dbraw/zinc/41/68/59/314416859.db2.gz ZRQISLRJLIVYMK-NVXWUHKLSA-N 0 1 331.372 2.891 20 5 EFBDMN COc1cc(CN[C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000494250572 314565309 /nfs/dbraw/zinc/56/53/09/314565309.db2.gz JQUJOEWATWXGBU-VFZGTOFNSA-N 0 1 346.330 2.862 20 5 EFBDMN NC(=O)OC[C@H](Cc1ccccc1)NCc1csc([N+](=O)[O-])c1 ZINC000496655025 315145916 /nfs/dbraw/zinc/14/59/16/315145916.db2.gz MIPSFLQCEJMLCE-ZDUSSCGKSA-N 0 1 335.385 2.867 20 5 EFBDMN COc1ccc(OCCN(C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000530666060 317162262 /nfs/dbraw/zinc/16/22/62/317162262.db2.gz RACHCIAMUAFVHJ-UHFFFAOYSA-N 0 1 332.356 2.820 20 5 EFBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000531068272 317215430 /nfs/dbraw/zinc/21/54/30/317215430.db2.gz SJCNUKFJPCFWGD-CYBMUJFWSA-N 0 1 336.779 2.609 20 5 EFBDMN Cc1nc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2[nH]1 ZINC000532186539 317367465 /nfs/dbraw/zinc/36/74/65/317367465.db2.gz YWANKZKJMFFZMC-UHFFFAOYSA-N 0 1 340.295 2.761 20 5 EFBDMN C[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000540159812 317740320 /nfs/dbraw/zinc/74/03/20/317740320.db2.gz DREPOACBHUCUBC-GFCCVEGCSA-N 0 1 346.408 2.775 20 5 EFBDMN CC(C)n1ncc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cnc21 ZINC000541873608 317795209 /nfs/dbraw/zinc/79/52/09/317795209.db2.gz GOYMGMGOWLMXNY-UHFFFAOYSA-N 0 1 341.327 2.878 20 5 EFBDMN C[C@H](NCc1cnc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000562664252 318679999 /nfs/dbraw/zinc/67/99/99/318679999.db2.gz OOXNQYMMLIYFBH-ZDUSSCGKSA-N 0 1 327.388 2.836 20 5 EFBDMN Cc1cc(C[NH+](C)C)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000566228795 319049825 /nfs/dbraw/zinc/04/98/25/319049825.db2.gz SAEHALZCHGMQRW-UHFFFAOYSA-N 0 1 349.412 2.766 20 5 EFBDMN O=C1C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CN1c1ccccc1 ZINC000566630362 319097159 /nfs/dbraw/zinc/09/71/59/319097159.db2.gz JUPXWZOQLPDOJQ-DYVFJYSZSA-N 0 1 337.379 2.977 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCc3cccc(F)c3[C@H]2C)c1[N+](=O)[O-] ZINC000567113450 319140203 /nfs/dbraw/zinc/14/02/03/319140203.db2.gz NUGROIYOHCMYAJ-SECBINFHSA-N 0 1 332.335 2.779 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC=C(c2ccccn2)C1 ZINC000567202176 319147878 /nfs/dbraw/zinc/14/78/78/319147878.db2.gz BGULLUIEXYOTKU-UHFFFAOYSA-N 0 1 349.350 2.796 20 5 EFBDMN COc1cc(CN[C@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000567905251 319224567 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2.962 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000248401463 474308700 /nfs/dbraw/zinc/30/87/00/474308700.db2.gz ZNMLKKHUPKUREL-AEFFLSMTSA-N 0 1 347.459 2.962 20 5 EFBDMN COC[C@H]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000265773491 474331339 /nfs/dbraw/zinc/33/13/39/474331339.db2.gz JCBHCDIZEJWNFH-NEPJUHHUSA-N 0 1 332.360 2.674 20 5 EFBDMN CC(C)C[C@@H]1COCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283186888 474331669 /nfs/dbraw/zinc/33/16/69/474331669.db2.gz FKLVVJPRPZGWOI-CQSZACIVSA-N 0 1 335.404 2.670 20 5 EFBDMN CS[C@@H]1CCCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248469527 474335670 /nfs/dbraw/zinc/33/56/70/474335670.db2.gz URRMXYFKQQLPKR-ZIAGYGMSSA-N 0 1 340.445 2.552 20 5 EFBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC000189315489 474358613 /nfs/dbraw/zinc/35/86/13/474358613.db2.gz NCBXYHDMFMHFKC-UHFFFAOYSA-N 0 1 339.395 2.857 20 5 EFBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCOCC2(CCOCC2)C1 ZINC000183269717 474364252 /nfs/dbraw/zinc/36/42/52/474364252.db2.gz WOCWOTCORRDACP-HWKANZROSA-N 0 1 332.400 2.737 20 5 EFBDMN CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC000265869504 474367245 /nfs/dbraw/zinc/36/72/45/474367245.db2.gz ITLVIGNNBZKFTH-NEPJUHHUSA-N 0 1 338.408 2.682 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000289676275 474374911 /nfs/dbraw/zinc/37/49/11/474374911.db2.gz FRTWXQAJYOAHIR-GFCCVEGCSA-N 0 1 332.404 2.929 20 5 EFBDMN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265916623 474384119 /nfs/dbraw/zinc/38/41/19/474384119.db2.gz ZDVNCUVGLHDLIU-YPMHNXCESA-N 0 1 346.836 2.694 20 5 EFBDMN Cc1ccc(OC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000176210935 474410448 /nfs/dbraw/zinc/41/04/48/474410448.db2.gz OKPIXVOVGFITRD-UHFFFAOYSA-N 0 1 344.415 2.952 20 5 EFBDMN Cc1ccc(C)c(OC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176217038 474412483 /nfs/dbraw/zinc/41/24/83/474412483.db2.gz IEMOZYTUGJYIIJ-UHFFFAOYSA-N 0 1 344.415 2.952 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](CCO)c2ccccc2)c1[N+](=O)[O-] ZINC000271164858 474415543 /nfs/dbraw/zinc/41/55/43/474415543.db2.gz KZOODSUUCZSRLH-CYBMUJFWSA-N 0 1 346.387 2.637 20 5 EFBDMN CN(C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000266114384 474418854 /nfs/dbraw/zinc/41/88/54/474418854.db2.gz UYGAENVALGQCIV-OAHLLOKOSA-N 0 1 333.413 2.618 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@H]2c2ncon2)c1[N+](=O)[O-] ZINC000276183736 474443982 /nfs/dbraw/zinc/44/39/82/474443982.db2.gz HDZFOJKNBXDUOQ-JTQLQIEISA-N 0 1 348.363 2.582 20 5 EFBDMN CCOc1cc(CN2CC[C@H](n3cc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000289948229 474498679 /nfs/dbraw/zinc/49/86/79/474498679.db2.gz PZBKFENHPPAKNO-HNNXBMFYSA-N 0 1 330.388 2.945 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CN(C)C2 ZINC000283876073 474517075 /nfs/dbraw/zinc/51/70/75/474517075.db2.gz BSHQKMHWAPIVEA-UHFFFAOYSA-N 0 1 347.396 2.649 20 5 EFBDMN Cc1ccc(-c2noc(CCCCc3cn[nH]n3)n2)cc1[N+](=O)[O-] ZINC000290002783 474522841 /nfs/dbraw/zinc/52/28/41/474522841.db2.gz FXGWDULVRRPJQP-UHFFFAOYSA-N 0 1 328.332 2.637 20 5 EFBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC=C(c2ccccc2)C1 ZINC000283906867 474523768 /nfs/dbraw/zinc/52/37/68/474523768.db2.gz AASIPVQYVPJCGM-UHFFFAOYSA-N 0 1 325.368 2.546 20 5 EFBDMN CNC(=O)[C@@H](C)CN(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290019982 474528785 /nfs/dbraw/zinc/52/87/85/474528785.db2.gz PEWDRVOBQNTSFG-QMMMGPOBSA-N 0 1 334.203 2.716 20 5 EFBDMN COC[C@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000184547178 474543794 /nfs/dbraw/zinc/54/37/94/474543794.db2.gz VLOXXJARESBMAI-ZDUSSCGKSA-N 0 1 336.344 2.553 20 5 EFBDMN Cc1cc(F)c(NC(=O)N2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000284086658 474568200 /nfs/dbraw/zinc/56/82/00/474568200.db2.gz RRTIIQVKZOYOAY-UHFFFAOYSA-N 0 1 336.367 2.602 20 5 EFBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(C)C)CC1 ZINC000184677660 474582039 /nfs/dbraw/zinc/58/20/39/474582039.db2.gz BOCCGBRHJMWBGJ-INIZCTEOSA-N 0 1 333.432 2.716 20 5 EFBDMN C[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000184680456 474582307 /nfs/dbraw/zinc/58/23/07/474582307.db2.gz GDYHHIZTYHYOJB-NSHDSACASA-N 0 1 337.339 2.871 20 5 EFBDMN COc1cc(Cc2nc(=O)c3sccc3[nH]2)c([N+](=O)[O-])c(OC)c1 ZINC000184855705 474621677 /nfs/dbraw/zinc/62/16/77/474621677.db2.gz WSPGOOWLZMGRSK-UHFFFAOYSA-N 0 1 347.352 2.501 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@](CO)(c2ccccc2)C1 ZINC000291821069 474704476 /nfs/dbraw/zinc/70/44/76/474704476.db2.gz NXIOGMJTGFZEIH-IBGZPJMESA-N 0 1 342.395 2.739 20 5 EFBDMN CCCCCNC(=O)C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338901864 474715859 /nfs/dbraw/zinc/71/58/59/474715859.db2.gz HKKPKYBIIUSCQB-UHFFFAOYSA-N 0 1 349.431 2.819 20 5 EFBDMN COc1cccc(CN(CC(C)C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000609168442 480122136 /nfs/dbraw/zinc/12/21/36/480122136.db2.gz PKJLNDOCWISBND-UHFFFAOYSA-N 0 1 346.387 2.933 20 5 EFBDMN CN(C)c1nc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2[nH]1 ZINC000338928035 474741014 /nfs/dbraw/zinc/74/10/14/474741014.db2.gz SMQDZLOYFMQPCT-UHFFFAOYSA-N 0 1 343.318 2.929 20 5 EFBDMN CN(C)c1nc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2[nH]1 ZINC000338928810 474741770 /nfs/dbraw/zinc/74/17/70/474741770.db2.gz WQCBIPJTIOYRBP-UHFFFAOYSA-N 0 1 331.357 2.851 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000253425559 474751186 /nfs/dbraw/zinc/75/11/86/474751186.db2.gz DEZCDOWXMOCRSN-LBPRGKRZSA-N 0 1 345.359 2.916 20 5 EFBDMN CN(C)Cc1ccsc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000268017238 474754733 /nfs/dbraw/zinc/75/47/33/474754733.db2.gz IDUZVVMXDGILNP-UHFFFAOYSA-N 0 1 348.428 2.560 20 5 EFBDMN C[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1CO ZINC000305742901 474762829 /nfs/dbraw/zinc/76/28/29/474762829.db2.gz SUWGTAXRWOJKJU-BLLLJJGKSA-N 0 1 331.372 2.843 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000284777949 474767871 /nfs/dbraw/zinc/76/78/71/474767871.db2.gz NCWKCORSSCTFAA-HUUCEWRRSA-N 0 1 344.371 2.788 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000337198026 474774284 /nfs/dbraw/zinc/77/42/84/474774284.db2.gz XWLYYIARBFAEJC-UHFFFAOYSA-N 0 1 340.332 2.933 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000268065894 474778696 /nfs/dbraw/zinc/77/86/96/474778696.db2.gz ARGPJTWTACAUSF-UHFFFAOYSA-N 0 1 341.415 2.662 20 5 EFBDMN Cc1ccc([C@H](C)NC(=O)N2CCN(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000268089592 474790611 /nfs/dbraw/zinc/79/06/11/474790611.db2.gz ZWWCVYURXJQSSU-AWEZNQCLSA-N 0 1 346.431 2.844 20 5 EFBDMN CCOc1cc(CN2CCCC[C@@H]2CC(=O)OC)ccc1[N+](=O)[O-] ZINC000617196424 480126491 /nfs/dbraw/zinc/12/64/91/480126491.db2.gz DSAXFORQYPUXNN-CQSZACIVSA-N 0 1 336.388 2.911 20 5 EFBDMN Cn1cnnc1C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255123848 474809051 /nfs/dbraw/zinc/80/90/51/474809051.db2.gz KUCYKZBQZZPNEW-XQRVVYSFSA-N 0 1 327.388 2.616 20 5 EFBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(c3ccccc3)CC2)cc1 ZINC000273263696 474812281 /nfs/dbraw/zinc/81/22/81/474812281.db2.gz ZNZHNOYTKRCVAI-UHFFFAOYSA-N 0 1 346.408 2.647 20 5 EFBDMN CCN(Cc1ccc(OC)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000337240023 474815568 /nfs/dbraw/zinc/81/55/68/474815568.db2.gz DXJRXVOZKNAIKN-UHFFFAOYSA-N 0 1 330.340 2.971 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H](O)Cc1ccc(F)cc1)CC2 ZINC000339015146 474836063 /nfs/dbraw/zinc/83/60/63/474836063.db2.gz SYLDLPGTEQDUIL-SFHVURJKSA-N 0 1 330.359 2.696 20 5 EFBDMN Cc1cc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000345060529 474857345 /nfs/dbraw/zinc/85/73/45/474857345.db2.gz GWRGQIPFDDWAEG-ZWKOTPCHSA-N 0 1 339.395 2.731 20 5 EFBDMN C[C@H]1CN(C2CCOCC2)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000278832691 474860586 /nfs/dbraw/zinc/86/05/86/474860586.db2.gz VDLKBXVSRPBSGR-NSHDSACASA-N 0 1 341.358 2.563 20 5 EFBDMN Cc1cc(C2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000278841607 474866667 /nfs/dbraw/zinc/86/66/67/474866667.db2.gz VXQNTYPGMUQXRZ-UHFFFAOYSA-N 0 1 328.372 2.955 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](O)CC1 ZINC000293207060 474868858 /nfs/dbraw/zinc/86/88/58/474868858.db2.gz RBYCAWRUTIAYOO-FZMZJTMJSA-N 0 1 332.360 2.553 20 5 EFBDMN COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339045403 474873660 /nfs/dbraw/zinc/87/36/60/474873660.db2.gz ONURQGGEPYZKKN-YVEFUNNKSA-N 0 1 344.367 2.940 20 5 EFBDMN C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000319047902 474895887 /nfs/dbraw/zinc/89/58/87/474895887.db2.gz CQZBPSTYNBORID-GHMZBOCLSA-N 0 1 330.381 2.839 20 5 EFBDMN C[C@@H]1CC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000319050655 474898380 /nfs/dbraw/zinc/89/83/80/474898380.db2.gz DFOHBQBLPAGBAZ-MXWKQRLJSA-N 0 1 330.381 2.837 20 5 EFBDMN CC(C)[C@H](CNc1c(Cl)cccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000320250446 474909356 /nfs/dbraw/zinc/90/93/56/474909356.db2.gz IBZJQAIVVTUPPF-HNNXBMFYSA-N 0 1 340.855 2.932 20 5 EFBDMN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC(CO)CC1 ZINC000268344609 474933844 /nfs/dbraw/zinc/93/38/44/474933844.db2.gz PNNGTMHIMZSNST-UHFFFAOYSA-N 0 1 346.387 2.628 20 5 EFBDMN COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339120490 474947477 /nfs/dbraw/zinc/94/74/77/474947477.db2.gz PSUUAZTZUQNEOD-INIZCTEOSA-N 0 1 330.384 2.990 20 5 EFBDMN Cc1ccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000273532443 474949492 /nfs/dbraw/zinc/94/94/92/474949492.db2.gz VIGIJOSOYQYBDT-UHFFFAOYSA-N 0 1 348.424 2.775 20 5 EFBDMN CCCn1ccnc1CCC[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339125066 474952500 /nfs/dbraw/zinc/95/25/00/474952500.db2.gz MSWUPUFFGDVXTA-UHFFFAOYSA-N 0 1 332.404 2.972 20 5 EFBDMN CCC[C@]1(C(=O)OCC)CCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339130435 474960056 /nfs/dbraw/zinc/96/00/56/474960056.db2.gz VIQXMIGKNCHKBG-QGZVFWFLSA-N 0 1 336.388 2.998 20 5 EFBDMN CC(C)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000324015902 474960418 /nfs/dbraw/zinc/96/04/18/474960418.db2.gz QHTIMDDMLFRBDT-UHFFFAOYSA-N 0 1 338.360 2.948 20 5 EFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000339131522 474961330 /nfs/dbraw/zinc/96/13/30/474961330.db2.gz JYIDGHYFGSAMFG-CQSZACIVSA-N 0 1 347.346 2.878 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000273574893 474971289 /nfs/dbraw/zinc/97/12/89/474971289.db2.gz YIEFTQIMCXOHFX-SECBINFHSA-N 0 1 337.405 2.774 20 5 EFBDMN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273604004 474986712 /nfs/dbraw/zinc/98/67/12/474986712.db2.gz PNPXEKFVWPYUCL-UHFFFAOYSA-N 0 1 346.315 2.506 20 5 EFBDMN CCOc1cc(-c2nc(C3(N)CCCC3)no2)c([N+](=O)[O-])cc1OC ZINC000261617729 474998644 /nfs/dbraw/zinc/99/86/44/474998644.db2.gz BNAKFORCMHDOGA-UHFFFAOYSA-N 0 1 348.359 2.780 20 5 EFBDMN C[N@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000339168816 474998716 /nfs/dbraw/zinc/99/87/16/474998716.db2.gz DNMBMTJABIYQLV-KRWDZBQOSA-N 0 1 341.411 2.659 20 5 EFBDMN COc1cc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000273643461 475000641 /nfs/dbraw/zinc/00/06/41/475000641.db2.gz SOQCNICCPFJMEU-UHFFFAOYSA-N 0 1 344.371 2.655 20 5 EFBDMN CCS(=O)(=O)c1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000341458293 475055984 /nfs/dbraw/zinc/05/59/84/475055984.db2.gz GUCVCTLFUXSEIU-UHFFFAOYSA-N 0 1 334.397 2.678 20 5 EFBDMN CCc1nc([C@@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000273843902 475078720 /nfs/dbraw/zinc/07/87/20/475078720.db2.gz KCJMRBDXALTULY-SECBINFHSA-N 0 1 349.366 2.569 20 5 EFBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2cn[nH]c21 ZINC000268988947 475114783 /nfs/dbraw/zinc/11/47/83/475114783.db2.gz OPYKBYSFGUYJNX-HNNXBMFYSA-N 0 1 343.387 2.704 20 5 EFBDMN C[NH+](C)CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000609333422 480146982 /nfs/dbraw/zinc/14/69/82/480146982.db2.gz GCCOPGFMRSRGCY-UHFFFAOYSA-N 0 1 332.360 2.506 20 5 EFBDMN CCC[C@@H](C)C(=O)NCCNCc1cc([N+](=O)[O-])ccc1OCC ZINC000292633621 475126390 /nfs/dbraw/zinc/12/63/90/475126390.db2.gz JRRIKDMMOLJXFK-CYBMUJFWSA-N 0 1 337.420 2.636 20 5 EFBDMN CC(C)[C@H](CCO)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000273962927 475139529 /nfs/dbraw/zinc/13/95/29/475139529.db2.gz GPYAIJQXJROYOS-RISCZKNCSA-N 0 1 334.376 2.702 20 5 EFBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269043202 475143404 /nfs/dbraw/zinc/14/34/04/475143404.db2.gz YRJIVGHJZYTKDR-YGRLFVJLSA-N 0 1 346.412 2.992 20 5 EFBDMN Cc1c([C@H](C)NCC2(S(C)(=O)=O)CCC2)cccc1[N+](=O)[O-] ZINC000281267189 475143652 /nfs/dbraw/zinc/14/36/52/475143652.db2.gz WTRHSJFJVGXGNH-LBPRGKRZSA-N 0 1 326.418 2.521 20 5 EFBDMN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000345413503 475173061 /nfs/dbraw/zinc/17/30/61/475173061.db2.gz HBZVYSMZYPVSKO-YGRLFVJLSA-N 0 1 344.371 2.858 20 5 EFBDMN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000345413497 475173341 /nfs/dbraw/zinc/17/33/41/475173341.db2.gz HBZVYSMZYPVSKO-HZMBPMFUSA-N 0 1 344.371 2.858 20 5 EFBDMN CC(C)C[C@@H](N)c1noc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000339389401 475187790 /nfs/dbraw/zinc/18/77/90/475187790.db2.gz PPPPUKNAYSRWFK-ZWNOBZJWSA-N 0 1 347.375 2.515 20 5 EFBDMN CNc1c(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cccc1[N+](=O)[O-] ZINC000337622018 475190625 /nfs/dbraw/zinc/19/06/25/475190625.db2.gz GZCKLQFZRHJLSE-UHFFFAOYSA-N 0 1 329.238 2.631 20 5 EFBDMN CC(C)c1ccc(O[C@@H](C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000345513862 475231527 /nfs/dbraw/zinc/23/15/27/475231527.db2.gz HEOZYRMVYDCQAD-NSHDSACASA-N 0 1 332.360 2.639 20 5 EFBDMN C[C@]12CCCN1C[C@@H](c1noc(-c3cc(F)cc([N+](=O)[O-])c3)n1)OC2 ZINC000347325689 475231776 /nfs/dbraw/zinc/23/17/76/475231776.db2.gz HQBGKJFLBLLKBT-XJKSGUPXSA-N 0 1 348.334 2.710 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2CN3CCC[C@@]3(C)CO2)no1 ZINC000347333404 475240514 /nfs/dbraw/zinc/24/05/14/475240514.db2.gz YUKVXEWJMLYLGY-PBHICJAKSA-N 0 1 344.371 2.879 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2CN3CCC[C@]3(C)CO2)no1 ZINC000347333410 475240643 /nfs/dbraw/zinc/24/06/43/475240643.db2.gz YUKVXEWJMLYLGY-WMLDXEAASA-N 0 1 344.371 2.879 20 5 EFBDMN CSC[C@@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000347352790 475257140 /nfs/dbraw/zinc/25/71/40/475257140.db2.gz UXEMHAFRDYYMRA-SNVBAGLBSA-N 0 1 326.422 2.657 20 5 EFBDMN CO[C@@]1(C)C[C@@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000296336205 475274579 /nfs/dbraw/zinc/27/45/79/475274579.db2.gz RAVXUDSIBWDZNR-DYVFJYSZSA-N 0 1 346.387 2.938 20 5 EFBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC)C[C@H]1C ZINC000341800075 475311854 /nfs/dbraw/zinc/31/18/54/475311854.db2.gz QKHPBMCMBZIPGR-GDBMZVCRSA-N 0 1 333.432 2.716 20 5 EFBDMN Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)CCC2)c([N+](=O)[O-])c1 ZINC000354648995 475317030 /nfs/dbraw/zinc/31/70/30/475317030.db2.gz JVNNRBQBCZVUIE-UHFFFAOYSA-N 0 1 338.307 2.667 20 5 EFBDMN CC(C)C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000354681851 475334879 /nfs/dbraw/zinc/33/48/79/475334879.db2.gz JWRNWQUGKVVCAP-HNNXBMFYSA-N 0 1 331.416 2.994 20 5 EFBDMN CCC[C@@H](N[C@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352488514 475341690 /nfs/dbraw/zinc/34/16/90/475341690.db2.gz QYOVWCFUFDDZMT-HUUCEWRRSA-N 0 1 339.461 2.893 20 5 EFBDMN NC(=O)c1ccc(CN[C@@H](c2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000341853376 475358427 /nfs/dbraw/zinc/35/84/27/475358427.db2.gz NAKLINLARMPLJA-OAHLLOKOSA-N 0 1 331.397 2.996 20 5 EFBDMN CSCC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000352505108 475361375 /nfs/dbraw/zinc/36/13/75/475361375.db2.gz XXAQALGIBKQSKN-JSGCOSHPSA-N 0 1 339.461 2.764 20 5 EFBDMN O=C(CCN1CCO[C@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331652502 475364632 /nfs/dbraw/zinc/36/46/32/475364632.db2.gz KKWMNWLJLDXRIK-HOTGVXAUSA-N 0 1 333.388 2.567 20 5 EFBDMN Cc1nc(NC[C@@H](C)N2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000296568580 475375514 /nfs/dbraw/zinc/37/55/14/475375514.db2.gz QHAIZZZQJPXVPX-SNVBAGLBSA-N 0 1 333.417 2.613 20 5 EFBDMN COC(=O)c1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1C ZINC000348091224 475378529 /nfs/dbraw/zinc/37/85/29/475378529.db2.gz ZYWUXKXMMUFVPN-GFCCVEGCSA-N 0 1 331.372 2.879 20 5 EFBDMN O=C(CN1CC[C@H](CC2CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000339672311 475394437 /nfs/dbraw/zinc/39/44/37/475394437.db2.gz AFUGGHMTZQGLPC-CQSZACIVSA-N 0 1 329.400 2.606 20 5 EFBDMN Cc1cc(N2CCN(C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339678059 475402879 /nfs/dbraw/zinc/40/28/79/475402879.db2.gz PUOJAJRFICBPBW-ZDUSSCGKSA-N 0 1 327.388 2.501 20 5 EFBDMN Cc1nc([C@H]2CCCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)sc1C ZINC000331785046 475412052 /nfs/dbraw/zinc/41/20/52/475412052.db2.gz GWXUWDZGCZNIAD-NSHDSACASA-N 0 1 349.416 2.719 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345750514 475417510 /nfs/dbraw/zinc/41/75/10/475417510.db2.gz CVMFPIDZZGLKPK-HZSPNIEDSA-N 0 1 334.420 2.780 20 5 EFBDMN C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCOC1 ZINC000348142383 475423543 /nfs/dbraw/zinc/42/35/43/475423543.db2.gz NFQYQJSFRZJAID-DGCLKSJQSA-N 0 1 332.360 2.550 20 5 EFBDMN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000354830035 475443788 /nfs/dbraw/zinc/44/37/88/475443788.db2.gz JJVQVFULIFSRBX-STQMWFEESA-N 0 1 345.374 2.903 20 5 EFBDMN CCOc1ccc([C@H](C)N[C@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000358152871 475444769 /nfs/dbraw/zinc/44/47/69/475444769.db2.gz LEDVLEPNJRPEBS-JSGCOSHPSA-N 0 1 335.404 2.653 20 5 EFBDMN COC[C@]1(C)CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296726017 475448813 /nfs/dbraw/zinc/44/88/13/475448813.db2.gz NROLMLMCWDEEFU-MRXNPFEDSA-N 0 1 332.360 2.503 20 5 EFBDMN O=C(CN1CCCC2(CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000348180096 475463062 /nfs/dbraw/zinc/46/30/62/475463062.db2.gz KKAQLALTXDILDL-UHFFFAOYSA-N 0 1 329.400 2.750 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC(CF)CC1 ZINC000296794301 475479588 /nfs/dbraw/zinc/47/95/88/475479588.db2.gz FNSXNGLDHUQDCT-UHFFFAOYSA-N 0 1 332.335 2.807 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000296865089 475512355 /nfs/dbraw/zinc/51/23/55/475512355.db2.gz IJWRQEPGBGQVAA-LLVKDONJSA-N 0 1 325.796 2.805 20 5 EFBDMN NC(=O)C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332202504 475556084 /nfs/dbraw/zinc/55/60/84/475556084.db2.gz GLWPFRCTARAOAQ-CYBMUJFWSA-N 0 1 335.360 2.741 20 5 EFBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C2CCOCC2)C1 ZINC000332246997 475573514 /nfs/dbraw/zinc/57/35/14/475573514.db2.gz BIKVOQWBGMLJCT-UKRRQHHQSA-N 0 1 347.415 2.670 20 5 EFBDMN CO[C@]1(C)CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000332280970 475585762 /nfs/dbraw/zinc/58/57/62/475585762.db2.gz DMGKZYOKLRAROZ-QGZVFWFLSA-N 0 1 335.404 2.733 20 5 EFBDMN CC(C)c1n[nH]c(C(=O)N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000332415833 475631712 /nfs/dbraw/zinc/63/17/12/475631712.db2.gz MOJHAGZXTBHYHD-UHFFFAOYSA-N 0 1 349.435 2.532 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000332427224 475633763 /nfs/dbraw/zinc/63/37/63/475633763.db2.gz UXNMADYXQCQFPY-SMDDNHRTSA-N 0 1 328.372 2.892 20 5 EFBDMN CCOC[C@H](O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352797337 475634068 /nfs/dbraw/zinc/63/40/68/475634068.db2.gz QBQFLCFKZNEPRU-MSOLQXFVSA-N 0 1 330.384 2.671 20 5 EFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](N2CCCC2=O)C1 ZINC000361658734 475637523 /nfs/dbraw/zinc/63/75/23/475637523.db2.gz GJMBUBMQLQIMRP-IDKBZEPQSA-N 0 1 329.400 2.695 20 5 EFBDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000332442656 475639283 /nfs/dbraw/zinc/63/92/83/475639283.db2.gz CLKALFSKHBJBLG-KGLIPLIRSA-N 0 1 349.456 2.772 20 5 EFBDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000332442661 475639961 /nfs/dbraw/zinc/63/99/61/475639961.db2.gz CLKALFSKHBJBLG-UONOGXRCSA-N 0 1 349.456 2.772 20 5 EFBDMN Cc1nc(N2CCN(Cc3ccccc3)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000297180730 475643119 /nfs/dbraw/zinc/64/31/19/475643119.db2.gz QAHSIMIQRDVDSU-UHFFFAOYSA-N 0 1 341.415 2.794 20 5 EFBDMN CNC(=O)C1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000297281965 475690720 /nfs/dbraw/zinc/69/07/20/475690720.db2.gz ABMNPLOFQZLHNE-UHFFFAOYSA-N 0 1 331.397 2.501 20 5 EFBDMN C[C@H](C(=O)N1C[C@@H]2CCCCN2C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000332631098 475694906 /nfs/dbraw/zinc/69/49/06/475694906.db2.gz UWATUAMXEHCHDD-IPYPFGDCSA-N 0 1 349.406 2.923 20 5 EFBDMN Cc1[nH]ncc1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000355140372 475695091 /nfs/dbraw/zinc/69/50/91/475695091.db2.gz UVTKBFHMZDVVBN-UHFFFAOYSA-N 0 1 343.265 2.967 20 5 EFBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000297298288 475696129 /nfs/dbraw/zinc/69/61/29/475696129.db2.gz GBHOMVHWTULKLG-UHFFFAOYSA-N 0 1 332.364 2.720 20 5 EFBDMN COc1ccc(CNCc2ccc(C[S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000353127641 475703201 /nfs/dbraw/zinc/70/32/01/475703201.db2.gz PQRXQAIKJKXWHA-XMMPIXPASA-N 0 1 348.424 2.772 20 5 EFBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc2c1CCO2 ZINC000358490665 475720132 /nfs/dbraw/zinc/72/01/32/475720132.db2.gz BHIBQQIHIHRYCF-UHFFFAOYSA-N 0 1 348.380 2.947 20 5 EFBDMN C[C@H]1CCN(C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000361787489 475753579 /nfs/dbraw/zinc/75/35/79/475753579.db2.gz NOZQIRMPWGCGIU-JTQLQIEISA-N 0 1 345.321 2.780 20 5 EFBDMN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@H]1CCSC1 ZINC000297494796 475781682 /nfs/dbraw/zinc/78/16/82/475781682.db2.gz MRRFVDVGDZDZPA-LBPRGKRZSA-N 0 1 332.385 2.562 20 5 EFBDMN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1COC[C@H]1O ZINC000348631475 475785935 /nfs/dbraw/zinc/78/59/35/475785935.db2.gz DJXRXRIRYSZKRJ-LSDHHAIUSA-N 0 1 334.397 2.515 20 5 EFBDMN CCC1(CC)[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1OC ZINC000361828581 475789822 /nfs/dbraw/zinc/78/98/22/475789822.db2.gz LRWMMXJWKSZZFX-ZIAGYGMSSA-N 0 1 346.387 2.795 20 5 EFBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000338327465 475790812 /nfs/dbraw/zinc/79/08/12/475790812.db2.gz WQASWOVRSRVGMN-OCCSQVGLSA-N 0 1 345.403 2.984 20 5 EFBDMN O=C(NCC1(c2ccccn2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000343149016 475809572 /nfs/dbraw/zinc/80/95/72/475809572.db2.gz JSUDNDZUHBRZGG-UHFFFAOYSA-N 0 1 327.340 2.547 20 5 EFBDMN O=C(NCC1(C(F)(F)F)CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000343198726 475849298 /nfs/dbraw/zinc/84/92/98/475849298.db2.gz XGRUDTLBEHJDDO-UHFFFAOYSA-N 0 1 342.277 2.934 20 5 EFBDMN Cc1nc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297667671 475850616 /nfs/dbraw/zinc/85/06/16/475850616.db2.gz ZQIHCOJZHOACJH-DOMZBBRYSA-N 0 1 327.388 2.768 20 5 EFBDMN CCN1C[C@@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000346777581 475851806 /nfs/dbraw/zinc/85/18/06/475851806.db2.gz SXHLRWNPZUZGCF-VXGBXAGGSA-N 0 1 337.445 2.871 20 5 EFBDMN CC1=CCN(CCNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355355871 475859982 /nfs/dbraw/zinc/85/99/82/475859982.db2.gz OKBXEKQBELKVSM-CQSZACIVSA-N 0 1 349.456 2.844 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297701218 475860599 /nfs/dbraw/zinc/86/05/99/475860599.db2.gz RFKIJGISWWKMIH-KGLIPLIRSA-N 0 1 334.420 2.782 20 5 EFBDMN CC(C)c1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000297780292 475884098 /nfs/dbraw/zinc/88/40/98/475884098.db2.gz WUESPXLIBACDPG-WDEREUQCSA-N 0 1 346.391 2.958 20 5 EFBDMN CCC[C@H](NC[C@@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346840688 475903341 /nfs/dbraw/zinc/90/33/41/475903341.db2.gz UXQMXWVLYYHUNU-HOTGVXAUSA-N 0 1 340.445 2.993 20 5 EFBDMN O=[N+]([O-])c1ccccc1CN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340273664 475905549 /nfs/dbraw/zinc/90/55/49/475905549.db2.gz AKFYEEQQBLUBSW-OAHLLOKOSA-N 0 1 327.319 2.731 20 5 EFBDMN C[C@@H]1C[C@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000353396501 475935195 /nfs/dbraw/zinc/93/51/95/475935195.db2.gz UBLAHAKZXZUDPS-CPUCHLNUSA-N 0 1 344.415 2.822 20 5 EFBDMN O=[N+]([O-])c1cccc(CCN[C@@H](c2nnc[nH]2)c2ccc(F)cc2)c1 ZINC000340317330 475942696 /nfs/dbraw/zinc/94/26/96/475942696.db2.gz XFENFWQVCADJNW-MRXNPFEDSA-N 0 1 341.346 2.774 20 5 EFBDMN O=[N+]([O-])c1cccc(N2CCN(CCCO[C@@H]3CCCCO3)CC2)c1 ZINC000358800406 475949537 /nfs/dbraw/zinc/94/95/37/475949537.db2.gz BIKQQMFPTQTFAU-GOSISDBHSA-N 0 1 349.431 2.650 20 5 EFBDMN O=[N+]([O-])c1cccc(N2CCN(CCCO[C@H]3CCCCO3)CC2)c1 ZINC000358800408 475949764 /nfs/dbraw/zinc/94/97/64/475949764.db2.gz BIKQQMFPTQTFAU-SFHVURJKSA-N 0 1 349.431 2.650 20 5 EFBDMN Cc1ccc(CNCC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000355487345 475977727 /nfs/dbraw/zinc/97/77/27/475977727.db2.gz QNSROBVECRFJIB-UHFFFAOYSA-N 0 1 325.368 2.535 20 5 EFBDMN Cc1c(CN[C@H](c2cccs2)c2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000340366312 475982705 /nfs/dbraw/zinc/98/27/05/475982705.db2.gz PJJDXKLKDSWPHL-CQSZACIVSA-N 0 1 329.385 2.962 20 5 EFBDMN CN(C)C(=O)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000340408535 476016087 /nfs/dbraw/zinc/01/60/87/476016087.db2.gz JOODRUMBRZZZNA-UHFFFAOYSA-N 0 1 347.346 2.704 20 5 EFBDMN CCO[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@H]1SC ZINC000298221380 476022865 /nfs/dbraw/zinc/02/28/65/476022865.db2.gz AKYYTSIHGBSBGK-BPLDGKMQSA-N 0 1 326.418 2.602 20 5 EFBDMN Cc1c(CNC(=O)c2cn[nH]c2-c2ccccn2)cccc1[N+](=O)[O-] ZINC000355982868 476074194 /nfs/dbraw/zinc/07/41/94/476074194.db2.gz JMNUKCRZMYRLKK-UHFFFAOYSA-N 0 1 337.339 2.618 20 5 EFBDMN C[C@@H]1CC(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000338651576 476087472 /nfs/dbraw/zinc/08/74/72/476087472.db2.gz CDIWIGHORVGCIW-GHMZBOCLSA-N 0 1 346.387 2.795 20 5 EFBDMN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000334029736 476093969 /nfs/dbraw/zinc/09/39/69/476093969.db2.gz JBJPSNQNXPFEMW-ABAIWWIYSA-N 0 1 336.388 2.872 20 5 EFBDMN CCCCn1c(=O)[nH]nc1SCc1ccc([N+](=O)[O-])cc1OC ZINC000362339329 476181531 /nfs/dbraw/zinc/18/15/31/476181531.db2.gz KIOVHXXLQCBCSX-UHFFFAOYSA-N 0 1 338.389 2.993 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000338796275 476193604 /nfs/dbraw/zinc/19/36/04/476193604.db2.gz FZLTYVHMUBWPOL-OAHLLOKOSA-N 0 1 345.374 2.565 20 5 EFBDMN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000350485402 476207479 /nfs/dbraw/zinc/20/74/79/476207479.db2.gz WKVKJVIWNGTZOC-HZPDHXFCSA-N 0 1 349.431 2.695 20 5 EFBDMN CC[C@]1(C)CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000362385025 476211458 /nfs/dbraw/zinc/21/14/58/476211458.db2.gz QIKUVHGYXHTJFQ-GOSISDBHSA-N 0 1 331.416 2.996 20 5 EFBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000340705984 476221363 /nfs/dbraw/zinc/22/13/63/476221363.db2.gz QZRJXMOWPSFYCR-QGZVFWFLSA-N 0 1 339.395 2.989 20 5 EFBDMN O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000344301292 476231275 /nfs/dbraw/zinc/23/12/75/476231275.db2.gz DPSCJWZFDTULIU-UHFFFAOYSA-N 0 1 327.275 2.771 20 5 EFBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000344306525 476235726 /nfs/dbraw/zinc/23/57/26/476235726.db2.gz LMMFRIKFOIQWNX-UHFFFAOYSA-N 0 1 341.302 2.700 20 5 EFBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000344317805 476245413 /nfs/dbraw/zinc/24/54/13/476245413.db2.gz QFZUBHSQXXBJKI-UHFFFAOYSA-N 0 1 341.302 2.700 20 5 EFBDMN O=[N+]([O-])c1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)F)cs1 ZINC000344323196 476250574 /nfs/dbraw/zinc/25/05/74/476250574.db2.gz ZFMAMBPDWOEPPW-OCCSQVGLSA-N 0 1 342.367 2.983 20 5 EFBDMN C[C@]12CCCN1C[C@@H](c1noc(-c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000347313912 476252456 /nfs/dbraw/zinc/25/24/56/476252456.db2.gz DQTZULPAONJTGI-XJKSGUPXSA-N 0 1 330.344 2.571 20 5 EFBDMN CC(C)c1ccc(CNC[C@@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000344325490 476253581 /nfs/dbraw/zinc/25/35/81/476253581.db2.gz MNBRSAOVEMRGIK-AWEZNQCLSA-N 0 1 340.445 2.775 20 5 EFBDMN Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)N3[C@H](C)CC[C@@H]3C)n2)n1C ZINC000350930924 476315387 /nfs/dbraw/zinc/31/53/87/476315387.db2.gz UKTIMXPBUVNGAL-AEJSXWLSSA-N 0 1 334.380 2.621 20 5 EFBDMN Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)N3[C@H](C)CC[C@H]3C)n2)n1C ZINC000350930925 476315665 /nfs/dbraw/zinc/31/56/65/476315665.db2.gz UKTIMXPBUVNGAL-BBBLOLIVSA-N 0 1 334.380 2.621 20 5 EFBDMN Cc1[nH]ncc1CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360644602 476327968 /nfs/dbraw/zinc/32/79/68/476327968.db2.gz FYMLTMHKVNPCQX-UHFFFAOYSA-N 0 1 339.355 2.634 20 5 EFBDMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353955674 476335068 /nfs/dbraw/zinc/33/50/68/476335068.db2.gz NIDOGYBBYNXKDH-UHFFFAOYSA-N 0 1 349.350 2.578 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc([C@H]4CCCOC4)no3)[nH]n2)cc1 ZINC000351115860 476340982 /nfs/dbraw/zinc/34/09/82/476340982.db2.gz VAPABVCTFHOOJF-NSHDSACASA-N 0 1 341.327 2.929 20 5 EFBDMN C[C@@H]1COCC[C@@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353978484 476344696 /nfs/dbraw/zinc/34/46/96/476344696.db2.gz LJECUCBTDKYJSI-FRFSOERESA-N 0 1 344.415 2.680 20 5 EFBDMN C[C@@H]1CCN(C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000353995872 476352013 /nfs/dbraw/zinc/35/20/13/476352013.db2.gz HZZMLFKXFFREFN-LLVKDONJSA-N 0 1 333.413 2.976 20 5 EFBDMN COc1ccc(Cc2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)cc1 ZINC000362713721 476362282 /nfs/dbraw/zinc/36/22/82/476362282.db2.gz BVSJWMHNAGVYHZ-UHFFFAOYSA-N 0 1 327.296 2.950 20 5 EFBDMN C[C@H]1CCCC[N@H+]1CCCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362825062 476427845 /nfs/dbraw/zinc/42/78/45/476427845.db2.gz DZSRQFDFHBKVCK-ZDUSSCGKSA-N 0 1 345.403 2.743 20 5 EFBDMN CCN1C[C@H](C)N(C(=O)c2cccc(SC)c2[N+](=O)[O-])C[C@@H]1C ZINC000362829792 476430799 /nfs/dbraw/zinc/43/07/99/476430799.db2.gz YHSMGZWPQYGYPK-RYUDHWBXSA-N 0 1 337.445 2.871 20 5 EFBDMN CC[C@H]1CO[C@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357522878 476430870 /nfs/dbraw/zinc/43/08/70/476430870.db2.gz KNGNMWSAXLJTEY-KGLIPLIRSA-N 0 1 335.404 2.731 20 5 EFBDMN CC(C)[C@H]1CN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000362850379 476439480 /nfs/dbraw/zinc/43/94/80/476439480.db2.gz BAMMIEHMSLXKBA-CZUORRHYSA-N 0 1 334.420 2.637 20 5 EFBDMN COC[C@H](C)Cc1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000351472004 476471179 /nfs/dbraw/zinc/47/11/79/476471179.db2.gz CSXMLODLQWOWIT-SNVBAGLBSA-N 0 1 343.343 2.860 20 5 EFBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000369772664 476518108 /nfs/dbraw/zinc/51/81/08/476518108.db2.gz LZIXSAPMHDYOBA-MSOLQXFVSA-N 0 1 339.395 2.731 20 5 EFBDMN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000374783526 476527929 /nfs/dbraw/zinc/52/79/29/476527929.db2.gz QYTUAEXRZYVBLS-CQSZACIVSA-N 0 1 343.387 2.656 20 5 EFBDMN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000374814987 476540413 /nfs/dbraw/zinc/54/04/13/476540413.db2.gz BMPQUGORPIEGOD-CQSZACIVSA-N 0 1 343.387 2.656 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000377733506 476552060 /nfs/dbraw/zinc/55/20/60/476552060.db2.gz XCUKZIVRZKYPSO-CQSZACIVSA-N 0 1 336.779 2.771 20 5 EFBDMN CCC[N@@H+](CC)C[C@@H](C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357785560 476602831 /nfs/dbraw/zinc/60/28/31/476602831.db2.gz SIPPZJDHJOSXNG-GFCCVEGCSA-N 0 1 333.392 2.599 20 5 EFBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cncc(F)c1 ZINC000361119703 476615641 /nfs/dbraw/zinc/61/56/41/476615641.db2.gz LVFAGOWIMOKXSO-MEDUHNTESA-N 0 1 344.346 2.585 20 5 EFBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000370064070 476653682 /nfs/dbraw/zinc/65/36/82/476653682.db2.gz UEPGGNOSCWYMQU-CYBMUJFWSA-N 0 1 346.362 2.867 20 5 EFBDMN C[C@H](N=c1[nH]c2ccccc2cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000352362615 476663576 /nfs/dbraw/zinc/66/35/76/476663576.db2.gz WPOYWRFNTUUFEI-STQMWFEESA-N 0 1 342.399 2.766 20 5 EFBDMN COC[C@@H]1CCCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000375110953 476680085 /nfs/dbraw/zinc/68/00/85/476680085.db2.gz APOQOPMENLLRSS-CYBMUJFWSA-N 0 1 346.387 2.893 20 5 EFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(CCOCC2)[C@H]1C ZINC000375235608 476730145 /nfs/dbraw/zinc/73/01/45/476730145.db2.gz ZRRBARNONQYAPK-ZIAGYGMSSA-N 0 1 347.415 2.813 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@](O)(C4CC4)C3)co2)cc1 ZINC000365852956 476734695 /nfs/dbraw/zinc/73/46/95/476734695.db2.gz BGGYFNLMIVLPSI-QGZVFWFLSA-N 0 1 329.356 2.597 20 5 EFBDMN CN(C(=O)CN1CCC[C@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451959505 476745720 /nfs/dbraw/zinc/74/57/20/476745720.db2.gz AZVUKLWTBBXLSP-KRWDZBQOSA-N 0 1 349.456 2.777 20 5 EFBDMN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430206582 476780390 /nfs/dbraw/zinc/78/03/90/476780390.db2.gz WYRZYOOBIIMGEE-AWEZNQCLSA-N 0 1 349.431 2.732 20 5 EFBDMN COC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000456975042 476812463 /nfs/dbraw/zinc/81/24/63/476812463.db2.gz XENBSJQCRCLNKE-AWEZNQCLSA-N 0 1 344.371 2.626 20 5 EFBDMN COc1ccc(C[N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)cc1[N+](=O)[O-] ZINC000392744591 476828848 /nfs/dbraw/zinc/82/88/48/476828848.db2.gz DJMNDJOLLODFLE-UHFFFAOYSA-N 0 1 342.351 2.860 20 5 EFBDMN COc1ccc(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)cc1[N+](=O)[O-] ZINC000392744591 476828852 /nfs/dbraw/zinc/82/88/52/476828852.db2.gz DJMNDJOLLODFLE-UHFFFAOYSA-N 0 1 342.351 2.860 20 5 EFBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](CCCO)C1 ZINC000452121163 476840202 /nfs/dbraw/zinc/84/02/02/476840202.db2.gz GJDOBRIQPVVLNL-CHWSQXEVSA-N 0 1 346.387 2.800 20 5 EFBDMN CCO[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000446492157 476879323 /nfs/dbraw/zinc/87/93/23/476879323.db2.gz GIIPKGBPTWVVDE-MRXNPFEDSA-N 0 1 330.340 2.808 20 5 EFBDMN O=[N+]([O-])c1cc(Br)ccc1CN(CCCO)C1CC1 ZINC000404225247 476913174 /nfs/dbraw/zinc/91/31/74/476913174.db2.gz BBLWEIIUMXZHCW-UHFFFAOYSA-N 0 1 329.194 2.704 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c1 ZINC000446651028 476902452 /nfs/dbraw/zinc/90/24/52/476902452.db2.gz ATEDMZLKHFFPCR-UHFFFAOYSA-N 0 1 346.387 2.896 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000447064229 476948305 /nfs/dbraw/zinc/94/83/05/476948305.db2.gz VIUHEGMUVVPJKX-UHFFFAOYSA-N 0 1 348.407 2.563 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2ccc(C)o2)[nH][nH]1 ZINC000447804738 477060815 /nfs/dbraw/zinc/06/08/15/477060815.db2.gz FYIDTCPOFHYBCS-UHFFFAOYSA-N 0 1 342.311 2.569 20 5 EFBDMN CCNc1ccc(C(=O)N2CCN(CC)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000411068717 477104374 /nfs/dbraw/zinc/10/43/74/477104374.db2.gz XUULXCMASFMFRB-CQSZACIVSA-N 0 1 334.420 2.583 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCSC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000416327519 477126699 /nfs/dbraw/zinc/12/66/99/477126699.db2.gz XWZYDOSBEYKNKR-LLVKDONJSA-N 0 1 338.433 2.799 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CCSC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000416327520 477127089 /nfs/dbraw/zinc/12/70/89/477127089.db2.gz XWZYDOSBEYKNKR-NSHDSACASA-N 0 1 338.433 2.799 20 5 EFBDMN Cc1[nH]ncc1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000457785503 477197117 /nfs/dbraw/zinc/19/71/17/477197117.db2.gz FGVSZEBMLWZKQH-AWEZNQCLSA-N 0 1 343.387 2.716 20 5 EFBDMN COc1cc(CNCCOCC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000453586615 477243186 /nfs/dbraw/zinc/24/31/86/477243186.db2.gz QBFSVWGNXPBOEO-UHFFFAOYSA-N 0 1 338.404 2.908 20 5 EFBDMN COC(=O)c1cccc2c1CCN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000453601663 477248710 /nfs/dbraw/zinc/24/87/10/477248710.db2.gz UQBXUKAYFXJNFO-UHFFFAOYSA-N 0 1 342.351 2.645 20 5 EFBDMN Cc1ccc(CN[C@@H](C)C(=O)Nc2cccnc2C)cc1[N+](=O)[O-] ZINC000453608896 477249556 /nfs/dbraw/zinc/24/95/56/477249556.db2.gz IVUQZRDALORBHF-ZDUSSCGKSA-N 0 1 328.372 2.723 20 5 EFBDMN CCNC(=O)C(C)(C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000453611086 477252304 /nfs/dbraw/zinc/25/23/04/477252304.db2.gz YZLNVVSLHKHIRW-UHFFFAOYSA-N 0 1 331.372 2.859 20 5 EFBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCNC[C@@H]1c1ccccc1 ZINC000424011062 477259397 /nfs/dbraw/zinc/25/93/97/477259397.db2.gz YPINLJGMCUYENM-GOSISDBHSA-N 0 1 339.395 2.701 20 5 EFBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000457948026 477270759 /nfs/dbraw/zinc/27/07/59/477270759.db2.gz YUFDTCOKLQJGBK-QMMMGPOBSA-N 0 1 333.369 2.737 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H](O)Cc1ccccc1 ZINC000433043803 477305519 /nfs/dbraw/zinc/30/55/19/477305519.db2.gz GIMKHXKZQRLWIF-KRWDZBQOSA-N 0 1 330.384 2.639 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H](O)Cc1ccccc1 ZINC000433043804 477305780 /nfs/dbraw/zinc/30/57/80/477305780.db2.gz GIMKHXKZQRLWIF-QGZVFWFLSA-N 0 1 330.384 2.639 20 5 EFBDMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000433086743 477306493 /nfs/dbraw/zinc/30/64/93/477306493.db2.gz FNRMMAUSUQJFIO-UHFFFAOYSA-N 0 1 349.310 2.509 20 5 EFBDMN COc1ccnc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000424307663 477364324 /nfs/dbraw/zinc/36/43/24/477364324.db2.gz MJNMGPFCSNYKBC-AWEZNQCLSA-N 0 1 328.372 2.504 20 5 EFBDMN COc1cc(F)cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000449029590 477398905 /nfs/dbraw/zinc/39/89/05/477398905.db2.gz PBITXUGOVUOPAR-CQSZACIVSA-N 0 1 346.362 2.824 20 5 EFBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)c1 ZINC000367218973 477400412 /nfs/dbraw/zinc/40/04/12/477400412.db2.gz LGLLBURONFXHNT-UONOGXRCSA-N 0 1 347.415 2.692 20 5 EFBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1nnc2n1CCCCC2 ZINC000449058490 477415225 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O=[N+]([O-])c1cnc(NC2CCN(Cc3ccncc3)CC2)c(F)c1 ZINC000413072391 477501582 /nfs/dbraw/zinc/50/15/82/477501582.db2.gz ONSDHEVZGLKVDF-UHFFFAOYSA-N 0 1 331.351 2.600 20 5 EFBDMN CCOCCN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1C ZINC000413132772 477536466 /nfs/dbraw/zinc/53/64/66/477536466.db2.gz PANQDYYTQJSNHN-AWEZNQCLSA-N 0 1 344.415 2.690 20 5 EFBDMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436635797 477538389 /nfs/dbraw/zinc/53/83/89/477538389.db2.gz WOOQSDRSZYNMHN-ZDUSSCGKSA-N 0 1 349.431 2.931 20 5 EFBDMN CCC(=O)c1ccc(O)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000436651920 477546801 /nfs/dbraw/zinc/54/68/01/477546801.db2.gz ISRLNVQIYDHHSH-UHFFFAOYSA-N 0 1 344.323 2.911 20 5 EFBDMN CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436673911 477554106 /nfs/dbraw/zinc/55/41/06/477554106.db2.gz STMUERHKRGKDAL-UHFFFAOYSA-N 0 1 343.383 2.682 20 5 EFBDMN CC(C)OCCN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413173153 477554442 /nfs/dbraw/zinc/55/44/42/477554442.db2.gz CHHNNPBHCZUKSL-UHFFFAOYSA-N 0 1 344.415 2.690 20 5 EFBDMN CC(C)OCCN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413185615 477559185 /nfs/dbraw/zinc/55/91/85/477559185.db2.gz QRYRNIOIHDQIAK-UHFFFAOYSA-N 0 1 344.415 2.690 20 5 EFBDMN COc1ccc(CN2CC[C@](O)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000367605469 477597593 /nfs/dbraw/zinc/59/75/93/477597593.db2.gz DHBVVLDGISSSFV-GOSISDBHSA-N 0 1 346.358 2.836 20 5 EFBDMN Cc1ccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000377054141 477619379 /nfs/dbraw/zinc/61/93/79/477619379.db2.gz XXESMOKJQIATRZ-HNNXBMFYSA-N 0 1 337.339 2.541 20 5 EFBDMN Cc1ccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000377054142 477619407 /nfs/dbraw/zinc/61/94/07/477619407.db2.gz XXESMOKJQIATRZ-OAHLLOKOSA-N 0 1 337.339 2.541 20 5 EFBDMN C[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-])Cc1ccccc1 ZINC000436870572 477620283 /nfs/dbraw/zinc/62/02/83/477620283.db2.gz NVLLBIWIUKSBHX-UHFFFAOYSA-N 0 1 343.383 2.552 20 5 EFBDMN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000450544646 477627507 /nfs/dbraw/zinc/62/75/07/477627507.db2.gz QDXPABYBGKTOMY-TXEJJXNPSA-N 0 1 330.388 2.680 20 5 EFBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])[N@@H+](C)Cc1ccccc1 ZINC000436972141 477654486 /nfs/dbraw/zinc/65/44/86/477654486.db2.gz MVKAQKXZFJPJPS-CYBMUJFWSA-N 0 1 343.383 2.551 20 5 EFBDMN CC(C)c1nc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000458918584 477656257 /nfs/dbraw/zinc/65/62/57/477656257.db2.gz BQOLOZBSFVCJFP-UHFFFAOYSA-N 0 1 346.391 2.571 20 5 EFBDMN COc1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c(O)c1 ZINC000436995819 477660549 /nfs/dbraw/zinc/66/05/49/477660549.db2.gz JBGITPQCWFKXMJ-UHFFFAOYSA-N 0 1 327.296 2.950 20 5 EFBDMN COC(=O)[C@]12CCC[C@H]1CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000367803003 477697406 /nfs/dbraw/zinc/69/74/06/477697406.db2.gz QMXFIVQYEAYTDD-GTNSWQLSSA-N 0 1 345.355 2.511 20 5 EFBDMN Cc1cc(N2C[C@H]3CCN(C)[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000450776295 477712627 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O=C(c1cccc2n[nH]cc21)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427991679 477800741 /nfs/dbraw/zinc/80/07/41/477800741.db2.gz YZVVTBRTAUQCJZ-UHFFFAOYSA-N 0 1 338.323 2.506 20 5 EFBDMN CCNC(=O)Nc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000428017213 477804750 /nfs/dbraw/zinc/80/47/50/477804750.db2.gz LSGKZDQMSJKIFX-UHFFFAOYSA-N 0 1 344.327 2.694 20 5 EFBDMN O=C(NCc1cccc(OC(F)F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428030719 477806793 /nfs/dbraw/zinc/80/67/93/477806793.db2.gz FLPUQNXKBGMHCN-UHFFFAOYSA-N 0 1 338.266 2.832 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)Cc2cccc3[nH]ccc32)c1[N+](=O)[O-] ZINC000428037402 477810157 /nfs/dbraw/zinc/81/01/57/477810157.db2.gz TVHQVHOCTJYCQI-UHFFFAOYSA-N 0 1 327.344 2.634 20 5 EFBDMN CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000451079361 477812382 /nfs/dbraw/zinc/81/23/82/477812382.db2.gz IQKMAGHZGRLYBO-ZETCQYMHSA-N 0 1 328.724 2.570 20 5 EFBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000451098723 477822736 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Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516473882 477937778 /nfs/dbraw/zinc/93/77/78/477937778.db2.gz ZEALWUSLWIZAKN-IUODEOHRSA-N 0 1 333.388 2.522 20 5 EFBDMN O=[N+]([O-])c1cccnc1N1CCN(CC2CCC(F)(F)CC2)CC1 ZINC000459500364 477939954 /nfs/dbraw/zinc/93/99/54/477939954.db2.gz BEYDPUKZKMTERY-UHFFFAOYSA-N 0 1 340.374 2.937 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN(CCO)Cc1cccc(F)c1 ZINC000494232310 477946891 /nfs/dbraw/zinc/94/68/91/477946891.db2.gz ZJNRPWDHGVLYPG-UHFFFAOYSA-N 0 1 334.347 2.607 20 5 EFBDMN CC[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000558984814 477948869 /nfs/dbraw/zinc/94/88/69/477948869.db2.gz GMETXASFPGDUOI-LLVKDONJSA-N 0 1 328.210 2.888 20 5 EFBDMN CC[C@@H]1CN(C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000558984814 477948877 /nfs/dbraw/zinc/94/88/77/477948877.db2.gz GMETXASFPGDUOI-LLVKDONJSA-N 0 1 328.210 2.888 20 5 EFBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459525109 477955266 /nfs/dbraw/zinc/95/52/66/477955266.db2.gz XDTNHULKHARBAL-UHFFFAOYSA-N 0 1 346.391 2.949 20 5 EFBDMN CC[C@@H](C)N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000456524725 477964928 /nfs/dbraw/zinc/96/49/28/477964928.db2.gz GNDWQBKBFNCJJR-GFCCVEGCSA-N 0 1 330.388 2.632 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000456529010 477967223 /nfs/dbraw/zinc/96/72/23/477967223.db2.gz LLAPNJMMKVUWJK-LBPRGKRZSA-N 0 1 339.823 2.733 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000456540295 477974426 /nfs/dbraw/zinc/97/44/26/477974426.db2.gz ZCWYLCKNSZRIRC-NSHDSACASA-N 0 1 325.796 2.805 20 5 EFBDMN COc1ccc(NC(=O)[C@@H](C)N(C)CCCSC)c([N+](=O)[O-])c1 ZINC000439479660 477986504 /nfs/dbraw/zinc/98/65/04/477986504.db2.gz ANZDMWIQAZMWJT-LLVKDONJSA-N 0 1 341.433 2.615 20 5 EFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CCO)CC1 ZINC000533282313 478060443 /nfs/dbraw/zinc/06/04/43/478060443.db2.gz JQEYWFMQCCYRBU-LBPRGKRZSA-N 0 1 346.387 2.800 20 5 EFBDMN CCn1cc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000533303250 478061627 /nfs/dbraw/zinc/06/16/27/478061627.db2.gz ZFQRBHAILVBIOJ-UHFFFAOYSA-N 0 1 345.403 2.580 20 5 EFBDMN CC(C)CNC(=O)[C@H](C)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547682 478083013 /nfs/dbraw/zinc/08/30/13/478083013.db2.gz LQFPFILSKFEQCZ-GOEBONIOSA-N 0 1 333.432 2.935 20 5 EFBDMN CC(C)CNC(=O)[C@H](C)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547683 478083386 /nfs/dbraw/zinc/08/33/86/478083386.db2.gz LQFPFILSKFEQCZ-HOCLYGCPSA-N 0 1 333.432 2.935 20 5 EFBDMN COc1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000459768207 478083845 /nfs/dbraw/zinc/08/38/45/478083845.db2.gz QGSFCRVSEIBGOG-DOTOQJQBSA-N 0 1 334.416 2.976 20 5 EFBDMN O=C1[C@H](N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CC1 ZINC000451549695 478085458 /nfs/dbraw/zinc/08/54/58/478085458.db2.gz QGAKCFUJMIFHTA-WMLDXEAASA-N 0 1 329.400 2.538 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)nc2c1 ZINC000451699065 478164702 /nfs/dbraw/zinc/16/47/02/478164702.db2.gz TZZKMTRYUYPATC-DYEKYZERSA-N 0 1 331.372 2.719 20 5 EFBDMN CCOC(=O)N(C)C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000495308949 478169900 /nfs/dbraw/zinc/16/99/00/478169900.db2.gz ZLLPXUUQGSLBLA-UHFFFAOYSA-N 0 1 335.404 2.956 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC(CCO)CC3)co2)cc1 ZINC000534853430 478175573 /nfs/dbraw/zinc/17/55/73/478175573.db2.gz DNSOQZNTDQWVOC-UHFFFAOYSA-N 0 1 331.372 2.844 20 5 EFBDMN Cc1nc([C@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)C2)n[nH]1 ZINC000518563982 478179314 /nfs/dbraw/zinc/17/93/14/478179314.db2.gz BWTFXSXHWLZFJR-LBPRGKRZSA-N 0 1 346.391 2.588 20 5 EFBDMN Cc1nnc([C@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)C2)[nH]1 ZINC000518563982 478179319 /nfs/dbraw/zinc/17/93/19/478179319.db2.gz BWTFXSXHWLZFJR-LBPRGKRZSA-N 0 1 346.391 2.588 20 5 EFBDMN C[C@@H]1CC[C@H](N(CCO)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429770522 478189186 /nfs/dbraw/zinc/18/91/86/478189186.db2.gz GFQAECFULSHXRN-OCCSQVGLSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@H]1CC[C@@H](N(CCO)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429770120 478189421 /nfs/dbraw/zinc/18/94/21/478189421.db2.gz GFQAECFULSHXRN-GXTWGEPZSA-N 0 1 346.387 2.628 20 5 EFBDMN COC(=O)c1ccc([C@@H](C)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000489027721 478212053 /nfs/dbraw/zinc/21/20/53/478212053.db2.gz OFHYDXSOVVMWKO-LLVKDONJSA-N 0 1 348.359 2.569 20 5 EFBDMN C[C@@H](C(=O)N1CCN(C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562395139 478242993 /nfs/dbraw/zinc/24/29/93/478242993.db2.gz MZXWQRUINPCUFX-CQSZACIVSA-N 0 1 331.416 2.785 20 5 EFBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3ccnc4ccccc34)CC2)cn1 ZINC000536638021 478264279 /nfs/dbraw/zinc/26/42/79/478264279.db2.gz MQIZENUGYWNGJY-UHFFFAOYSA-N 0 1 349.394 2.860 20 5 EFBDMN Cc1cc(C[C@@H](C)NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000489753533 478268406 /nfs/dbraw/zinc/26/84/06/478268406.db2.gz AGIWTROMDARNOX-LLVKDONJSA-N 0 1 345.403 2.792 20 5 EFBDMN Cc1cc(C[C@H](C)NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000489753535 478268632 /nfs/dbraw/zinc/26/86/32/478268632.db2.gz AGIWTROMDARNOX-NSHDSACASA-N 0 1 345.403 2.792 20 5 EFBDMN CCO[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000590658531 478278164 /nfs/dbraw/zinc/27/81/64/478278164.db2.gz YHSRDZWKAHQLCF-SWLSCSKDSA-N 0 1 336.388 2.613 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1C[C@@H](C3CC3)[C@@H]1C1CC1)OCCO2 ZINC000590660150 478278970 /nfs/dbraw/zinc/27/89/70/478278970.db2.gz FJIZSLIPFMSQFY-KSSFIOAISA-N 0 1 330.384 2.986 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1C[C@H](C3CC3)[C@H]1C1CC1)OCCO2 ZINC000590660151 478279102 /nfs/dbraw/zinc/27/91/02/478279102.db2.gz FJIZSLIPFMSQFY-RDTXWAMCSA-N 0 1 330.384 2.986 20 5 EFBDMN CCO[C@@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000590659594 478280016 /nfs/dbraw/zinc/28/00/16/478280016.db2.gz UUVIFWDWFRURAH-BLLLJJGKSA-N 0 1 336.388 2.628 20 5 EFBDMN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H](C)S1 ZINC000590673926 478283777 /nfs/dbraw/zinc/28/37/77/478283777.db2.gz YDDGGFLPEAXXOD-QWRGUYRKSA-N 0 1 346.412 2.951 20 5 EFBDMN C[C@H]1CN(CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H](C)O1 ZINC000520254380 478290920 /nfs/dbraw/zinc/29/09/20/478290920.db2.gz UKQOMCMFCFNTMC-KBPBESRZSA-N 0 1 330.388 2.568 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)nc2c1 ZINC000590756609 478322727 /nfs/dbraw/zinc/32/27/27/478322727.db2.gz WPTQBZNSUBXTGO-IUIKQTSFSA-N 0 1 329.356 2.783 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3[C@H]4CCO[C@H]4C34CCC4)nc2c1 ZINC000590756608 478322912 /nfs/dbraw/zinc/32/29/12/478322912.db2.gz WPTQBZNSUBXTGO-HFBAOOFYSA-N 0 1 329.356 2.783 20 5 EFBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)nc2c1 ZINC000590756611 478323349 /nfs/dbraw/zinc/32/33/49/478323349.db2.gz WPTQBZNSUBXTGO-XZJROXQQSA-N 0 1 329.356 2.783 20 5 EFBDMN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594334791 478333428 /nfs/dbraw/zinc/33/34/28/478333428.db2.gz KJDBVDRBCQOPIN-AWEZNQCLSA-N 0 1 341.367 2.761 20 5 EFBDMN C[N@@H+](CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000570520064 478379251 /nfs/dbraw/zinc/37/92/51/478379251.db2.gz RHSSRQUAOUXVPJ-UHFFFAOYSA-N 0 1 343.383 2.766 20 5 EFBDMN Cc1c(C[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000570521612 478379758 /nfs/dbraw/zinc/37/97/58/478379758.db2.gz GPHFESVKSNDOCD-UHFFFAOYSA-N 0 1 344.367 2.999 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000590888295 478385862 /nfs/dbraw/zinc/38/58/62/478385862.db2.gz SEPOTWKWKXABAW-XSLLRJJBSA-N 0 1 332.404 2.950 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1n[nH]c([C@@H]3CCCO3)n1)CCC2 ZINC000594510121 478417965 /nfs/dbraw/zinc/41/79/65/478417965.db2.gz HNUOCWQLGCYNAP-CABCVRRESA-N 0 1 343.387 2.732 20 5 EFBDMN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc21 ZINC000495933727 478420986 /nfs/dbraw/zinc/42/09/86/478420986.db2.gz WBFUEWKVXWZWRJ-TZMCWYRMSA-N 0 1 347.371 2.588 20 5 EFBDMN O=[N+]([O-])c1ccc(CNCc2n[nH]c([C@H]3CCCO3)n2)c(Cl)c1 ZINC000594513504 478421340 /nfs/dbraw/zinc/42/13/40/478421340.db2.gz ZBYYXNPCDIMDQJ-GFCCVEGCSA-N 0 1 337.767 2.508 20 5 EFBDMN O=C([O-])CC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000570689552 478422556 /nfs/dbraw/zinc/42/25/56/478422556.db2.gz PROXGVFEDLQAAO-UHFFFAOYSA-N 0 1 345.355 2.937 20 5 EFBDMN CCOc1cccc(NCc2n[nH]c([C@@H]3CCCO3)n2)c1[N+](=O)[O-] ZINC000594588546 478450876 /nfs/dbraw/zinc/45/08/76/478450876.db2.gz CIVILOUJXZLOTL-LBPRGKRZSA-N 0 1 333.348 2.575 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nccc(C3CC3)n2)c1 ZINC000600667812 478458995 /nfs/dbraw/zinc/45/89/95/478458995.db2.gz MVJDGXKDLSTLCE-UHFFFAOYSA-N 0 1 348.384 2.680 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000600675630 478463775 /nfs/dbraw/zinc/46/37/75/478463775.db2.gz QVHDACGVBQXTNI-BBWFWOEESA-N 0 1 348.399 2.939 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000581946281 478475189 /nfs/dbraw/zinc/47/51/89/478475189.db2.gz GTPOPWVGWUVTEG-UHFFFAOYSA-N 0 1 347.396 2.825 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCc3sccc3C2)c1 ZINC000581946281 478475194 /nfs/dbraw/zinc/47/51/94/478475194.db2.gz GTPOPWVGWUVTEG-UHFFFAOYSA-N 0 1 347.396 2.825 20 5 EFBDMN O=C1NCCC[C@@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591243829 478497212 /nfs/dbraw/zinc/49/72/12/478497212.db2.gz AFIIWWPYHKWZEA-SJLPKXTDSA-N 0 1 339.395 2.800 20 5 EFBDMN CO[C@@H](CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000594694721 478498941 /nfs/dbraw/zinc/49/89/41/478498941.db2.gz CMIFCKRLPUVHLQ-AWEZNQCLSA-N 0 1 328.390 2.542 20 5 EFBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000563289902 478508399 /nfs/dbraw/zinc/50/83/99/478508399.db2.gz IJGMHRDQTZZKPH-ZIAGYGMSSA-N 0 1 332.381 2.957 20 5 EFBDMN C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]1(C)C(=O)[O-] ZINC000582127829 478518384 /nfs/dbraw/zinc/51/83/84/478518384.db2.gz KVLAXFVMYPQQPT-PIGZYNQJSA-N 0 1 345.355 2.792 20 5 EFBDMN CN(CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCC1 ZINC000600824501 478534599 /nfs/dbraw/zinc/53/45/99/478534599.db2.gz BMINVFJXZBTPSA-UHFFFAOYSA-N 0 1 345.321 2.714 20 5 EFBDMN O=C([O-])c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000571172199 478537664 /nfs/dbraw/zinc/53/76/64/478537664.db2.gz QDEUWWKLGZCBRG-UHFFFAOYSA-N 0 1 347.396 2.677 20 5 EFBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCCc1cn[nH]n1 ZINC000600838471 478538888 /nfs/dbraw/zinc/53/88/88/478538888.db2.gz CLYBAFHWFUXRHU-UHFFFAOYSA-N 0 1 345.403 2.863 20 5 EFBDMN CC1(C)CCN(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000563379617 478541246 /nfs/dbraw/zinc/54/12/46/478541246.db2.gz SRVCFOJPJXVPDP-UHFFFAOYSA-N 0 1 331.416 2.818 20 5 EFBDMN CC(C)(C)[C@@H]1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000541268572 478544883 /nfs/dbraw/zinc/54/48/83/478544883.db2.gz NUQXQXOBQJYWFU-IUODEOHRSA-N 0 1 345.399 2.595 20 5 EFBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000571287875 478561826 /nfs/dbraw/zinc/56/18/26/478561826.db2.gz KBTXWYPCXABBHH-XQQFMLRXSA-N 0 1 348.403 2.530 20 5 EFBDMN Cc1[nH]nc(C(=O)N2CCc3ccc(C(C)C)cc3C2)c1[N+](=O)[O-] ZINC000597963139 478596869 /nfs/dbraw/zinc/59/68/69/478596869.db2.gz KUOFAPOSEQPSRX-UHFFFAOYSA-N 0 1 328.372 2.948 20 5 EFBDMN C[C@@H](Cc1ccsc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000542131211 478629825 /nfs/dbraw/zinc/62/98/25/478629825.db2.gz SINOFCCRMOGDLG-ZDUSSCGKSA-N 0 1 332.429 2.805 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCOc1ncccc1F ZINC000595022894 478633054 /nfs/dbraw/zinc/63/30/54/478633054.db2.gz QGDRYBDGLFPXKL-NSHDSACASA-N 0 1 335.335 2.867 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000591810763 478636510 /nfs/dbraw/zinc/63/65/10/478636510.db2.gz FNMOQBZDATXHSA-INIZCTEOSA-N 0 1 346.383 2.722 20 5 EFBDMN CC(C)OCCN1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601124224 478671613 /nfs/dbraw/zinc/67/16/13/478671613.db2.gz PFNWXXWMKDWSGU-UHFFFAOYSA-N 0 1 344.415 2.690 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000571804177 478680276 /nfs/dbraw/zinc/68/02/76/478680276.db2.gz KMMCQXUHDUTUNK-UHFFFAOYSA-N 0 1 347.396 2.677 20 5 EFBDMN CC(C)C[N@H+]1CC[C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000582787977 478685479 /nfs/dbraw/zinc/68/54/79/478685479.db2.gz BAZICBZGRFGKEW-AWEZNQCLSA-N 0 1 335.404 2.612 20 5 EFBDMN O=C(NCc1ncc(-c2ccccc2)o1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000542809185 478692094 /nfs/dbraw/zinc/69/20/94/478692094.db2.gz LNCUUTODYIMICR-UHFFFAOYSA-N 0 1 339.307 2.885 20 5 EFBDMN CCCC[N@H+]1CCCC[C@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000582847322 478702055 /nfs/dbraw/zinc/70/20/55/478702055.db2.gz JOUUWTBRLDNJRF-LBPRGKRZSA-N 0 1 336.392 2.755 20 5 EFBDMN O=C([O-])[C@]12C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]1CCCC2 ZINC000595279038 478710898 /nfs/dbraw/zinc/71/08/98/478710898.db2.gz CIELVVUELFTVQS-PIGZYNQJSA-N 0 1 345.355 2.813 20 5 EFBDMN C[C@@]12CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000595279483 478711186 /nfs/dbraw/zinc/71/11/86/478711186.db2.gz QLJHUJHXLMBCRG-GXTWGEPZSA-N 0 1 326.299 2.770 20 5 EFBDMN O=C([O-])[C@]12C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]1CCCC2 ZINC000595279053 478711264 /nfs/dbraw/zinc/71/12/64/478711264.db2.gz DJZGJNMVRXWPJV-PIGZYNQJSA-N 0 1 344.371 2.548 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595279098 478711563 /nfs/dbraw/zinc/71/15/63/478711563.db2.gz HOJCZMIYYKKGBE-UHFFFAOYSA-N 0 1 346.383 2.684 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595279098 478711572 /nfs/dbraw/zinc/71/15/72/478711572.db2.gz HOJCZMIYYKKGBE-UHFFFAOYSA-N 0 1 346.383 2.684 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000595279435 478712036 /nfs/dbraw/zinc/71/20/36/478712036.db2.gz MNWPUNAVFOKHHI-GUYCJALGSA-N 0 1 334.372 2.680 20 5 EFBDMN C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595279105 478712197 /nfs/dbraw/zinc/71/21/97/478712197.db2.gz INJUGZZBUPLJEK-VDISTLRHSA-N 0 1 331.328 2.545 20 5 EFBDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491891367 478726609 /nfs/dbraw/zinc/72/66/09/478726609.db2.gz COQZSSOASMCITE-OVULNCGTSA-N 0 1 329.400 2.693 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H](N2CCOCC2)CC1 ZINC000564469416 478747815 /nfs/dbraw/zinc/74/78/15/478747815.db2.gz DYNGCGXCVXEPRE-CQSZACIVSA-N 0 1 339.823 2.939 20 5 EFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000598306601 478757340 /nfs/dbraw/zinc/75/73/40/478757340.db2.gz IAJUJCIWHGNYRK-LRDDRELGSA-N 0 1 334.372 2.722 20 5 EFBDMN Cc1noc(CN2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595403440 478763083 /nfs/dbraw/zinc/76/30/83/478763083.db2.gz FICDEHCIIIZRBC-ZIAGYGMSSA-N 0 1 344.415 2.986 20 5 EFBDMN CC(C)(C)n1nnc(CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000595405550 478763284 /nfs/dbraw/zinc/76/32/84/478763284.db2.gz YAKNDXLDVKNUTM-UHFFFAOYSA-N 0 1 344.419 2.543 20 5 EFBDMN Cc1ccc([C@@H](C)NC[C@@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601293612 478768819 /nfs/dbraw/zinc/76/88/19/478768819.db2.gz IHBRNDSVXMHEKS-ZWNOBZJWSA-N 0 1 343.309 2.949 20 5 EFBDMN C[C@@H]1CCC[N@@H+](CCCCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000564658922 478781108 /nfs/dbraw/zinc/78/11/08/478781108.db2.gz MQCPIBTXNFEXPL-GFCCVEGCSA-N 0 1 336.392 2.612 20 5 EFBDMN COc1cc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000583268692 478807876 /nfs/dbraw/zinc/80/78/76/478807876.db2.gz SFZLEWRVILMHOL-NFAWXSAZSA-N 0 1 334.372 2.821 20 5 EFBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595484600 478814786 /nfs/dbraw/zinc/81/47/86/478814786.db2.gz MJLBLRISGISUOF-ZMSDIMECSA-N 0 1 331.416 2.516 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCCCS1(=O)=O ZINC000544386763 478830538 /nfs/dbraw/zinc/83/05/38/478830538.db2.gz QIXFHTWXILWMPW-OCCSQVGLSA-N 0 1 326.418 2.521 20 5 EFBDMN CC[C@H](CC(F)F)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595522636 478834481 /nfs/dbraw/zinc/83/44/81/478834481.db2.gz DIJJNGHIFBFNTM-GFCCVEGCSA-N 0 1 328.363 2.793 20 5 EFBDMN C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000583384585 478839163 /nfs/dbraw/zinc/83/91/63/478839163.db2.gz YRNOMNPMTDRLDO-OAHLLOKOSA-N 0 1 335.404 2.754 20 5 EFBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000583386733 478840490 /nfs/dbraw/zinc/84/04/90/478840490.db2.gz JGSLYFIIKNVRFY-INIZCTEOSA-N 0 1 332.381 2.885 20 5 EFBDMN O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCN3)no2)c(Br)c1 ZINC000592356691 478867277 /nfs/dbraw/zinc/86/72/77/478867277.db2.gz FKGUFSOUHHRJNJ-SNVBAGLBSA-N 0 1 339.149 2.832 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc([C@@H]2CCCN2)no1 ZINC000592356672 478867570 /nfs/dbraw/zinc/86/75/70/478867570.db2.gz DKNHOIULMJZGIL-JTQLQIEISA-N 0 1 338.751 2.677 20 5 EFBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](CO)Cc1ccccc1 ZINC000595592473 478873791 /nfs/dbraw/zinc/87/37/91/478873791.db2.gz OXERFCZOXMUGMP-QGZVFWFLSA-N 0 1 330.384 2.639 20 5 EFBDMN O=C([O-])c1ccccc1OCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000583545834 478874744 /nfs/dbraw/zinc/87/47/44/478874744.db2.gz PLFVVIURYCKLBI-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN O=C([O-])c1ccccc1OCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000583545834 478874749 /nfs/dbraw/zinc/87/47/49/478874749.db2.gz PLFVVIURYCKLBI-UHFFFAOYSA-N 0 1 342.351 2.730 20 5 EFBDMN CN(CC1=CCSC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000598515113 478875511 /nfs/dbraw/zinc/87/55/11/478875511.db2.gz HOMFQNPYDFDUKX-UHFFFAOYSA-N 0 1 344.396 2.730 20 5 EFBDMN CO[C@H](CS(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C(C)C ZINC000592385201 478877039 /nfs/dbraw/zinc/87/70/39/478877039.db2.gz REIPVZQFSYJGIA-CQSZACIVSA-N 0 1 330.406 2.624 20 5 EFBDMN Cc1[nH+]ccn1CCCN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565036764 478893306 /nfs/dbraw/zinc/89/33/06/478893306.db2.gz USRAYZDAHHYRSO-UHFFFAOYSA-N 0 1 332.360 2.633 20 5 EFBDMN NC(=O)CN(CCc1ccc([N+](=O)[O-])cc1)CCC1CCCCC1 ZINC000507392618 478919248 /nfs/dbraw/zinc/91/92/48/478919248.db2.gz TVIGEYGVSLBHHU-UHFFFAOYSA-N 0 1 333.432 2.895 20 5 EFBDMN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H](c3cccnc3)C1)OCCO2 ZINC000592520275 478928017 /nfs/dbraw/zinc/92/80/17/478928017.db2.gz JLHZORWFQQNBKM-AWEZNQCLSA-N 0 1 341.367 2.751 20 5 EFBDMN Cc1cc(N(C)C)nc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000507739634 478931208 /nfs/dbraw/zinc/93/12/08/478931208.db2.gz FAEYTKJDWVJCLB-UHFFFAOYSA-N 0 1 329.404 2.917 20 5 EFBDMN COc1cc(CN2CCCC[C@H]2[C@H](C)CO)c([N+](=O)[O-])cc1F ZINC000595678683 478932612 /nfs/dbraw/zinc/93/26/12/478932612.db2.gz SVHFYZFFSHSHCM-RISCZKNCSA-N 0 1 326.368 2.725 20 5 EFBDMN C[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CCO ZINC000595695895 478940578 /nfs/dbraw/zinc/94/05/78/478940578.db2.gz IYKGEYXYXBUJNW-IUODEOHRSA-N 0 1 346.387 2.628 20 5 EFBDMN C[C@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CCO ZINC000595704839 478947949 /nfs/dbraw/zinc/94/79/49/478947949.db2.gz WGHQQEQVTSGQES-WFASDCNBSA-N 0 1 346.387 2.628 20 5 EFBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(Cc2ccsc2)C1 ZINC000598779341 479023264 /nfs/dbraw/zinc/02/32/64/479023264.db2.gz UBHNZYCIJWYRGT-UHFFFAOYSA-N 0 1 342.380 2.847 20 5 EFBDMN CC1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595858881 479036945 /nfs/dbraw/zinc/03/69/45/479036945.db2.gz ZOMQRSVNHIJMPM-LQDVMPOASA-N 0 1 329.400 2.747 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN[C@H](CO)c2ccc(F)cc2F)cc1 ZINC000595867449 479041168 /nfs/dbraw/zinc/04/11/68/479041168.db2.gz NIFUGPKOANAKFF-MRXNPFEDSA-N 0 1 338.310 2.575 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCN[C@@H](CO)c1ccc(F)cc1F ZINC000595867708 479041521 /nfs/dbraw/zinc/04/15/21/479041521.db2.gz OOIWCXMOPYIMLM-AWEZNQCLSA-N 0 1 338.310 2.575 20 5 EFBDMN CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592829599 479062836 /nfs/dbraw/zinc/06/28/36/479062836.db2.gz RLWUAGYFPYJGBI-LLVKDONJSA-N 0 1 341.795 2.510 20 5 EFBDMN Cc1ncc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000601930876 479078444 /nfs/dbraw/zinc/07/84/44/479078444.db2.gz AOGDTLKRSCLXSX-IINYFYTJSA-N 0 1 346.412 2.816 20 5 EFBDMN C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000596075187 479123389 /nfs/dbraw/zinc/12/33/89/479123389.db2.gz JOQXUBWBNITYPC-JTQLQIEISA-N 0 1 334.401 2.616 20 5 EFBDMN Cc1cncc(CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000593013017 479123747 /nfs/dbraw/zinc/12/37/47/479123747.db2.gz CURINIWMWYEFNE-UHFFFAOYSA-N 0 1 342.399 2.779 20 5 EFBDMN Cc1cc(NC[C@@H](O)CN2CCc3ccccc3C2)c([N+](=O)[O-])s1 ZINC000596078616 479124699 /nfs/dbraw/zinc/12/46/99/479124699.db2.gz XUUKKVKAMDKRKG-OAHLLOKOSA-N 0 1 347.440 2.796 20 5 EFBDMN CN(C)C1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000569084823 479135648 /nfs/dbraw/zinc/13/56/48/479135648.db2.gz BBQVJHFXRUTSQD-UHFFFAOYSA-N 0 1 335.407 2.505 20 5 EFBDMN CC(C)(O)CN1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596103235 479140672 /nfs/dbraw/zinc/14/06/72/479140672.db2.gz AQYRYRKGGHOJAA-UHFFFAOYSA-N 0 1 347.337 2.507 20 5 EFBDMN O=C([O-])CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000573926601 479177273 /nfs/dbraw/zinc/17/72/73/479177273.db2.gz CYOXDYYABDJHGL-UHFFFAOYSA-N 0 1 332.360 2.548 20 5 EFBDMN COc1cc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000602998077 479188042 /nfs/dbraw/zinc/18/80/42/479188042.db2.gz WWQIKBXCOHDWMD-BJJXKVORSA-N 0 1 338.379 2.868 20 5 EFBDMN CC(=O)NCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000569847669 479193806 /nfs/dbraw/zinc/19/38/06/479193806.db2.gz DWCNNSATSPSWTM-UHFFFAOYSA-N 0 1 333.413 2.891 20 5 EFBDMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1C ZINC000593187457 479228618 /nfs/dbraw/zinc/22/86/18/479228618.db2.gz KQGLDMLWIGUIKJ-HBNTYKKESA-N 0 1 325.796 2.801 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000593187459 479228950 /nfs/dbraw/zinc/22/89/50/479228950.db2.gz KQGLDMLWIGUIKJ-MXWKQRLJSA-N 0 1 325.796 2.801 20 5 EFBDMN CCNc1ccc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593187911 479229001 /nfs/dbraw/zinc/22/90/01/479229001.db2.gz RPZWVQIDKKLOFI-JHJVBQTASA-N 0 1 334.420 2.580 20 5 EFBDMN CCOc1ccc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593186887 479229023 /nfs/dbraw/zinc/22/90/23/479229023.db2.gz AJSCCIVIEHPIBQ-JHJVBQTASA-N 0 1 335.404 2.547 20 5 EFBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)c1 ZINC000593186927 479229256 /nfs/dbraw/zinc/22/92/56/479229256.db2.gz BKIJGONLOBTGRH-GRYCIOLGSA-N 0 1 337.445 2.870 20 5 EFBDMN C[C@H](C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000593189617 479229932 /nfs/dbraw/zinc/22/99/32/479229932.db2.gz VUBUMGYUUGUTEC-MROQNXINSA-N 0 1 337.395 2.777 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000593189263 479230524 /nfs/dbraw/zinc/23/05/24/479230524.db2.gz ZIYFAJCYNNXZND-MXWKQRLJSA-N 0 1 325.796 2.801 20 5 EFBDMN C[C@@H]1[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1C ZINC000593188570 479230740 /nfs/dbraw/zinc/23/07/40/479230740.db2.gz LWIQPQUVTRUSIA-TUAOUCFPSA-N 0 1 339.823 2.730 20 5 EFBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000593190528 479231812 /nfs/dbraw/zinc/23/18/12/479231812.db2.gz MFZQFBFUPLRLBP-ZWNONLRRSA-N 0 1 331.416 2.638 20 5 EFBDMN Cc1nc([C@H]2CCCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])no1 ZINC000610923234 479232823 /nfs/dbraw/zinc/23/28/23/479232823.db2.gz QTUIQUIJWVEWMW-SNVBAGLBSA-N 0 1 348.363 2.500 20 5 EFBDMN Cc1cc(N[C@@H]2CCC[C@@H]([S@](C)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596373534 479271075 /nfs/dbraw/zinc/27/10/75/479271075.db2.gz PNKBMNBUIKPGKH-XYWAVCLCSA-N 0 1 347.440 2.975 20 5 EFBDMN Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000593291222 479279283 /nfs/dbraw/zinc/27/92/83/479279283.db2.gz ZNCDCZARKYHWOK-ZDUSSCGKSA-N 0 1 349.387 2.561 20 5 EFBDMN CCN1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000611092232 479280637 /nfs/dbraw/zinc/28/06/37/479280637.db2.gz 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331.328 2.927 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000593741291 479442224 /nfs/dbraw/zinc/44/22/24/479442224.db2.gz NMBLNDCUCUKKQU-CQSZACIVSA-N 0 1 334.372 2.542 20 5 EFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000593742420 479443228 /nfs/dbraw/zinc/44/32/28/479443228.db2.gz LOPAJGDTFJSCFF-ZFWWWQNUSA-N 0 1 334.372 2.684 20 5 EFBDMN COc1cc(C[N@H+](C)Cc2cc(C(=O)[O-])c(C)o2)ccc1[N+](=O)[O-] ZINC000593742089 479443733 /nfs/dbraw/zinc/44/37/33/479443733.db2.gz JVNJSHOIQAQPKE-UHFFFAOYSA-N 0 1 334.328 2.835 20 5 EFBDMN COc1cc(C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)ccc1[N+](=O)[O-] ZINC000593742089 479443737 /nfs/dbraw/zinc/44/37/37/479443737.db2.gz JVNJSHOIQAQPKE-UHFFFAOYSA-N 0 1 334.328 2.835 20 5 EFBDMN O=C([O-])CC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593753497 479447563 /nfs/dbraw/zinc/44/75/63/479447563.db2.gz VCZCBZAQBIUSFO-NSHDSACASA-N 0 1 332.360 2.548 20 5 EFBDMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593753497 479447574 /nfs/dbraw/zinc/44/75/74/479447574.db2.gz VCZCBZAQBIUSFO-NSHDSACASA-N 0 1 332.360 2.548 20 5 EFBDMN CCn1cc(C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C(C)C)cn1 ZINC000593755230 479448936 /nfs/dbraw/zinc/44/89/36/479448936.db2.gz ICETYOATVJQBSN-UHFFFAOYSA-N 0 1 346.387 2.920 20 5 EFBDMN CCn1cc(C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C(C)C)cn1 ZINC000593755230 479448943 /nfs/dbraw/zinc/44/89/43/479448943.db2.gz ICETYOATVJQBSN-UHFFFAOYSA-N 0 1 346.387 2.920 20 5 EFBDMN Cc1[nH]nc(C(=O)N(C)[C@H](C)CSc2ccccc2)c1[N+](=O)[O-] ZINC000593761255 479452262 /nfs/dbraw/zinc/45/22/62/479452262.db2.gz JIPDVSOUYHHCHP-SNVBAGLBSA-N 0 1 334.401 2.879 20 5 EFBDMN CC(C)c1nc([C@H](C)Nc2ncnc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000611713210 479455056 /nfs/dbraw/zinc/45/50/56/479455056.db2.gz ZYGSHALWBFVUBS-VIFPVBQESA-N 0 1 327.348 2.953 20 5 EFBDMN C[S@](=O)[C@H]1CCC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602704598 479488919 /nfs/dbraw/zinc/48/89/19/479488919.db2.gz AXYGJJRRXAZZGP-MRTUKWCHSA-N 0 1 337.401 2.515 20 5 EFBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000593893414 479500352 /nfs/dbraw/zinc/50/03/52/479500352.db2.gz SONSQTCKKARVQO-UHIISALHSA-N 0 1 339.355 2.921 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCSC[C@H]3CO)o2)c1 ZINC000602751630 479529538 /nfs/dbraw/zinc/52/95/38/479529538.db2.gz QCPPEIJQRJOTEX-CQSZACIVSA-N 0 1 334.397 2.765 20 5 EFBDMN CCN(CCC(F)(F)F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604525361 479534244 /nfs/dbraw/zinc/53/42/44/479534244.db2.gz UCIGWWCJXYDDCJ-GFCCVEGCSA-N 0 1 336.310 2.609 20 5 EFBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000602794304 479559053 /nfs/dbraw/zinc/55/90/53/479559053.db2.gz VGBVTXXKRVMZGZ-ZDUSSCGKSA-N 0 1 348.428 2.899 20 5 EFBDMN Cc1ncc([C@H](C)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000614962439 479559797 /nfs/dbraw/zinc/55/97/97/479559797.db2.gz DJTHAETVBFBIJQ-JSGCOSHPSA-N 0 1 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CN1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618872525 479620353 /nfs/dbraw/zinc/62/03/53/479620353.db2.gz IRMVBGLNESVBHA-CYBMUJFWSA-N 0 1 345.321 2.714 20 5 EFBDMN COCCN1CCC[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000615239436 479635172 /nfs/dbraw/zinc/63/51/72/479635172.db2.gz UKVSQJIXYYMUPA-OAHLLOKOSA-N 0 1 349.431 2.559 20 5 EFBDMN CN(Cc1ccccc1)C(=O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579004181 479648099 /nfs/dbraw/zinc/64/80/99/479648099.db2.gz FZZMRICXUPHDIV-KRWDZBQOSA-N 0 1 339.395 2.830 20 5 EFBDMN CN(C)c1ccnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000612347063 479650218 /nfs/dbraw/zinc/65/02/18/479650218.db2.gz RWWUBSGQRSDSHW-UHFFFAOYSA-N 0 1 334.763 2.890 20 5 EFBDMN Nc1c(C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000590563859 479660100 /nfs/dbraw/zinc/66/01/00/479660100.db2.gz UYJPQWFHFBVGSS-UHFFFAOYSA-N 0 1 339.311 2.525 20 5 EFBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@@H]1C1CC1 ZINC000590629352 479672673 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CC(C)(C)c1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000008697286 500599685 /nfs/dbraw/zinc/59/96/85/500599685.db2.gz ANCKLTIANBBQKA-UHFFFAOYSA-N 0 1 338.389 2.557 20 5 EFBDMN C[C@H]1CC[C@H](CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)O1 ZINC000175993846 533744240 /nfs/dbraw/zinc/74/42/40/533744240.db2.gz JCOJSQWMXCHOID-GXFFZTMASA-N 0 1 345.359 2.666 20 5 EFBDMN C[C@H](NCc1ccccc1CS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000178663071 533935735 /nfs/dbraw/zinc/93/57/35/533935735.db2.gz IOPRXJRJYQIFIY-ZDUSSCGKSA-N 0 1 348.424 2.990 20 5 EFBDMN C[C@@H]1SCCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000174868264 534220670 /nfs/dbraw/zinc/22/06/70/534220670.db2.gz VRGZIQKZCXORFZ-BBRMVZONSA-N 0 1 332.429 2.970 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000269415535 517485271 /nfs/dbraw/zinc/48/52/71/517485271.db2.gz WLOVTHIXTDYVOB-UHFFFAOYSA-N 0 1 338.314 2.992 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccncc3)CC2)n1 ZINC000178177856 534325386 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20 5 EFBDMN COc1cc(CN(C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000245911282 522350937 /nfs/dbraw/zinc/35/09/37/522350937.db2.gz FWDKUVMEGMRYRC-SWLSCSKDSA-N 0 1 338.404 2.595 20 5 EFBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CC=CC2)C1 ZINC000174465805 534838277 /nfs/dbraw/zinc/83/82/77/534838277.db2.gz RHNZIZIHBWZEQO-GFCCVEGCSA-N 0 1 336.779 2.726 20 5 EFBDMN C[S@@](=O)CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000116919517 525366779 /nfs/dbraw/zinc/36/67/79/525366779.db2.gz YTYIATSDJRUNLT-QFIPXVFZSA-N 0 1 339.442 2.577 20 5 EFBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000181294249 525412698 /nfs/dbraw/zinc/41/26/98/525412698.db2.gz VLQYBKVRBQGWCI-SNVBAGLBSA-N 0 1 334.763 2.933 20 5 EFBDMN Cc1ccc([C@@H](C)NC(=O)N2CCN(C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000176752269 525701434 /nfs/dbraw/zinc/70/14/34/525701434.db2.gz DPZHRLLXPOHGQX-RHSMWYFYSA-N 0 1 348.447 2.946 20 5 EFBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc([N+](=O)[O-])c3C)n2)o1 ZINC000181880868 525850641 /nfs/dbraw/zinc/85/06/41/525850641.db2.gz ICQDUGYHUKWBNF-UHFFFAOYSA-N 0 1 327.300 2.842 20 5 EFBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(C)c3[N+](=O)[O-])n2)o1 ZINC000181876159 525853974 /nfs/dbraw/zinc/85/39/74/525853974.db2.gz FMEWCHUTEGBGHM-UHFFFAOYSA-N 0 1 327.300 2.842 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC[C@H]1CC(C)C ZINC000072979326 526077945 /nfs/dbraw/zinc/07/79/45/526077945.db2.gz YYKGAOXOPRCWSN-MRXNPFEDSA-N 0 1 349.431 2.979 20 5 EFBDMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000179561449 526746491 /nfs/dbraw/zinc/74/64/91/526746491.db2.gz SEHMNUYTAVSVHQ-UHFFFAOYSA-N 0 1 335.323 2.583 20 5 EFBDMN CC(C)(CCS(C)(=O)=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000183818928 527061066 /nfs/dbraw/zinc/06/10/66/527061066.db2.gz WXSINABRAKBZRS-UHFFFAOYSA-N 0 1 334.825 2.551 20 5 EFBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc2[nH]nnc2c1 ZINC000121368872 527202039 /nfs/dbraw/zinc/20/20/39/527202039.db2.gz MUIQYBNXPGHNTN-UHFFFAOYSA-N 0 1 336.311 2.529 20 5 EFBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(-c2nnc[nH]2)c1 ZINC000154756417 527248784 /nfs/dbraw/zinc/24/87/84/527248784.db2.gz QQNDHOGHRYLGHS-UHFFFAOYSA-N 0 1 341.302 2.700 20 5 EFBDMN O=[N+]([O-])c1ccc(OCCN2CCCN(c3nccs3)CC2)cc1 ZINC000065537874 527371009 /nfs/dbraw/zinc/37/10/09/527371009.db2.gz RDEPMNAQMCZDFV-UHFFFAOYSA-N 0 1 348.428 2.642 20 5 EFBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000070879028 527391405 /nfs/dbraw/zinc/39/14/05/527391405.db2.gz KOBZFBMMIWIFBR-UHFFFAOYSA-N 0 1 340.332 2.555 20 5 EFBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183378153 527394224 /nfs/dbraw/zinc/39/42/24/527394224.db2.gz QVRHXRUKZTYMDT-ROUUACIJSA-N 0 1 346.358 2.921 20 5 EFBDMN O=[N+]([O-])c1ccccc1OCCSc1nc(-c2ccccn2)n[nH]1 ZINC000117114363 527404615 /nfs/dbraw/zinc/40/46/15/527404615.db2.gz JQUYBLNNPDWEIT-UHFFFAOYSA-N 0 1 343.368 2.946 20 5 EFBDMN CC(C)(C)CCN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183616985 527664684 /nfs/dbraw/zinc/66/46/84/527664684.db2.gz LWLYDJOPOAZUOH-UHFFFAOYSA-N 0 1 335.408 2.576 20 5 EFBDMN CCO[C@@H]1C[C@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000154836298 527902582 /nfs/dbraw/zinc/90/25/82/527902582.db2.gz JQFWVEYLFDALMN-UONOGXRCSA-N 0 1 346.387 2.747 20 5 EFBDMN CCN(CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccco1 ZINC000178180423 528244139 /nfs/dbraw/zinc/24/41/39/528244139.db2.gz XMHJKGXVDFCCTC-AWEZNQCLSA-N 0 1 346.387 2.583 20 5 EFBDMN CCC[C@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000132489895 528400048 /nfs/dbraw/zinc/40/00/48/528400048.db2.gz HLBAVPIZZJGHJY-AWEZNQCLSA-N 0 1 335.404 2.733 20 5 EFBDMN CCCNC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175139641 528430034 /nfs/dbraw/zinc/43/00/34/528430034.db2.gz UGMDOROEEAQKDP-CQSZACIVSA-N 0 1 349.431 2.732 20 5 EFBDMN CCCNC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175139658 528441288 /nfs/dbraw/zinc/44/12/88/528441288.db2.gz UGMDOROEEAQKDP-AWEZNQCLSA-N 0 1 349.431 2.732 20 5 EFBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000182495229 528544405 /nfs/dbraw/zinc/54/44/05/528544405.db2.gz ZVXRSTGQRACLAX-VIFPVBQESA-N 0 1 337.405 2.603 20 5 EFBDMN CCCc1[nH]nc(C(=O)N2CCc3ccc(F)cc3C2)c1[N+](=O)[O-] ZINC000162703470 528546738 /nfs/dbraw/zinc/54/67/38/528546738.db2.gz PMWLNNGOINPXEN-UHFFFAOYSA-N 0 1 332.335 2.608 20 5 EFBDMN CCS[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000175283856 529217950 /nfs/dbraw/zinc/21/79/50/529217950.db2.gz MGADBLBZMCCVER-ZYHUDNBSSA-N 0 1 348.421 2.686 20 5 EFBDMN CCS[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000175283839 529230088 /nfs/dbraw/zinc/23/00/88/529230088.db2.gz MGADBLBZMCCVER-JQWIXIFHSA-N 0 1 348.421 2.686 20 5 EFBDMN CC(C)Oc1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)ccc1[N+](=O)[O-] ZINC000412189008 534951300 /nfs/dbraw/zinc/95/13/00/534951300.db2.gz CMBNVJAVPBIGNT-ZDUSSCGKSA-N 0 1 344.371 2.913 20 5 EFBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nnc[nH]1 ZINC000343714160 535258020 /nfs/dbraw/zinc/25/80/20/535258020.db2.gz ANNFUDJISRWDGK-UHFFFAOYSA-N 0 1 349.416 2.733 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cc(F)cc(F)c2)c1[N+](=O)[O-] ZINC000434346282 535319274 /nfs/dbraw/zinc/31/92/74/535319274.db2.gz JGPHTSJMMYMIMX-UHFFFAOYSA-N 0 1 338.314 2.992 20 5 EFBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000434013054 535320849 /nfs/dbraw/zinc/32/08/49/535320849.db2.gz AVMJFUPYIMNJKR-CYBMUJFWSA-N 0 1 328.372 2.899 20 5 EFBDMN CCOCc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000194623947 535719973 /nfs/dbraw/zinc/71/99/73/535719973.db2.gz DQOSEETZCSHTHO-UHFFFAOYSA-N 0 1 336.369 2.932 20 5 EFBDMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1c([N+](=O)[O-])ncn1C ZINC000351144413 536561499 /nfs/dbraw/zinc/56/14/99/536561499.db2.gz MJBSDHAGZFYCRS-QMTHXVAHSA-N 0 1 338.795 2.848 20 5 EFBDMN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356784249 536665593 /nfs/dbraw/zinc/66/55/93/536665593.db2.gz PQARVMJWQLEGPR-QFYYESIMSA-N 0 1 348.330 2.946 20 5 EFBDMN COC[C@@H]1CCCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000364269746 536741198 /nfs/dbraw/zinc/74/11/98/536741198.db2.gz HDDWOTMYQAEJKR-CYBMUJFWSA-N 0 1 346.387 2.893 20 5 EFBDMN COCCN(C)c1ccc(CNCc2cccc([N+](=O)[O-])c2C)cn1 ZINC000359790566 536804595 /nfs/dbraw/zinc/80/45/95/536804595.db2.gz CQAZOUFEYVKXIH-UHFFFAOYSA-N 0 1 344.415 2.671 20 5 EFBDMN CO[C@](C)([C@@H](C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000411951243 536834105 /nfs/dbraw/zinc/83/41/05/536834105.db2.gz PUQCRDXSCXCEAM-PIGZYNQJSA-N 0 1 346.387 2.938 20 5 EFBDMN COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000414678019 536896385 /nfs/dbraw/zinc/89/63/85/536896385.db2.gz IVSCFPRPGYEXNW-JTQLQIEISA-N 0 1 334.328 2.768 20 5 EFBDMN COc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000414678019 536896386 /nfs/dbraw/zinc/89/63/86/536896386.db2.gz IVSCFPRPGYEXNW-JTQLQIEISA-N 0 1 334.328 2.768 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000194416905 536956110 /nfs/dbraw/zinc/95/61/10/536956110.db2.gz ANUUMAMYOZTGEH-UHFFFAOYSA-N 0 1 336.731 2.892 20 5 EFBDMN C[C@@H](N[C@H](CCO)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000754381193 575427487 /nfs/dbraw/zinc/42/74/87/575427487.db2.gz BKPGLNFDPIQWSC-DGCLKSJQSA-N 0 1 349.412 2.697 20 5 EFBDMN C[C@H](N[C@H](CCO)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000754397882 575431965 /nfs/dbraw/zinc/43/19/65/575431965.db2.gz XTNZWJUPWNNVRF-SMDDNHRTSA-N 0 1 349.412 2.697 20 5 EFBDMN O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000758088061 575859670 /nfs/dbraw/zinc/85/96/70/575859670.db2.gz JPKPWACFBYBDJF-UHFFFAOYSA-N 0 1 348.702 2.983 20 5 EFBDMN Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)(F)F ZINC000761541074 576176832 /nfs/dbraw/zinc/17/68/32/576176832.db2.gz YEWMJSXALNRFDR-NSHDSACASA-N 0 1 346.265 2.734 20 5 EFBDMN C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000763418316 576376559 /nfs/dbraw/zinc/37/65/59/576376559.db2.gz DLLRSGINURERDC-LLVKDONJSA-N 0 1 341.367 2.670 20 5 EFBDMN CON(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CCCOc2ccccc21 ZINC000764395311 576454685 /nfs/dbraw/zinc/45/46/85/576454685.db2.gz HAPIXBQPSJRYOH-LBPRGKRZSA-N 0 1 346.343 2.544 20 5 EFBDMN Cc1ccc([C@H](C)NCc2ccc(-n3cncn3)nc2)cc1[N+](=O)[O-] ZINC000764956187 576528289 /nfs/dbraw/zinc/52/82/89/576528289.db2.gz HPEVCTKFLWAZFQ-ZDUSSCGKSA-N 0 1 338.371 2.730 20 5 EFBDMN CC[C@@H](NCc1ccc(-n2cncn2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000764959122 576528881 /nfs/dbraw/zinc/52/88/81/576528881.db2.gz ZEZIYJDKDKVSAC-MRXNPFEDSA-N 0 1 338.371 2.811 20 5 EFBDMN CC[C@H](NCc1ccc(-n2cncn2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000764959115 576528984 /nfs/dbraw/zinc/52/89/84/576528984.db2.gz ZEZIYJDKDKVSAC-INIZCTEOSA-N 0 1 338.371 2.811 20 5 EFBDMN Cc1cccc(C)c1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000765225455 577020649 /nfs/dbraw/zinc/02/06/49/577020649.db2.gz UKONNKYPNJNDIB-UHFFFAOYSA-N 0 1 338.360 2.829 20 5 EFBDMN CCCN1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000765463498 577044361 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CN1Cc2ccccc2[C@@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865644877 1303348374 /nfs/dbraw/zinc/34/83/74/1303348374.db2.gz XKPMXOIBQOBGKZ-INIZCTEOSA-N 0 1 331.347 2.825 20 5 EFBDMN O=[N+]([O-])c1cc(CO)c(NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1F ZINC000865953865 1303468016 /nfs/dbraw/zinc/46/80/16/1303468016.db2.gz CDWGXYFQIPYTMU-OAHLLOKOSA-N 0 1 345.374 2.913 20 5 EFBDMN O=[N+]([O-])c1cc(CO)c(NC[C@H]2CCN2Cc2ccccc2)cc1F ZINC000865953865 1303468019 /nfs/dbraw/zinc/46/80/19/1303468019.db2.gz CDWGXYFQIPYTMU-OAHLLOKOSA-N 0 1 345.374 2.913 20 5 EFBDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1csc(N(C)C)n1 ZINC000866278098 1303589253 /nfs/dbraw/zinc/58/92/53/1303589253.db2.gz MGAOVPPHWIKLML-SNVBAGLBSA-N 0 1 338.408 2.977 20 5 EFBDMN Cc1ccccc1C[C@H](C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867942288 1304030624 /nfs/dbraw/zinc/03/06/24/1304030624.db2.gz OIBSJWSRYGFZGV-IFXJQAMLSA-N 0 1 341.411 2.825 20 5 EFBDMN C[C@](N)(C(=O)N[C@H]1C[C@@]1(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867948592 1304036248 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CC(C)(F)C(=O)NCCC1=CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159040936 1311439784 /nfs/dbraw/zinc/43/97/84/1311439784.db2.gz QESSHVZFOSLVTJ-UHFFFAOYSA-N 0 1 349.406 2.981 20 5 EFBDMN C[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC001225488315 1311530750 /nfs/dbraw/zinc/53/07/50/1311530750.db2.gz DTMMZBUIPKSGTA-SNVBAGLBSA-N 0 1 338.360 2.935 20 5 EFBDMN O=[N+]([O-])c1ccc([O-])cc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001225492310 1311531940 /nfs/dbraw/zinc/53/19/40/1311531940.db2.gz VSUWIHIIVOCGDO-MRXNPFEDSA-N 0 1 344.367 2.580 20 5 EFBDMN O=[N+]([O-])c1ccc([O-])cc1O[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001225492310 1311531944 /nfs/dbraw/zinc/53/19/44/1311531944.db2.gz VSUWIHIIVOCGDO-MRXNPFEDSA-N 0 1 344.367 2.580 20 5 EFBDMN C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225621048 1311554872 /nfs/dbraw/zinc/55/48/72/1311554872.db2.gz ZZCLCYPXIGNMCM-CHWSQXEVSA-N 0 1 329.356 2.910 20 5 EFBDMN C[C@H](c1ccccn1)N1CCC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628944 1311556174 /nfs/dbraw/zinc/55/61/74/1311556174.db2.gz AHUICWRPKMUYJH-KGLIPLIRSA-N 0 1 328.372 2.989 20 5 EFBDMN C[C@@H](Oc1cccc2[nH]nnc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225990592 1311598715 /nfs/dbraw/zinc/59/87/15/1311598715.db2.gz DNQKYGRQJDPMSG-MRVPVSSYSA-N 0 1 328.284 2.735 20 5 EFBDMN Cc1ccc(Nc2cccc(C(=O)N3CCNCC3)c2)c([N+](=O)[O-])c1 ZINC001159994622 1311625692 /nfs/dbraw/zinc/62/56/92/1311625692.db2.gz QRYOUSQRYHCHGL-UHFFFAOYSA-N 0 1 340.383 2.692 20 5 EFBDMN O=[N+]([O-])c1cnc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c(Cl)c1 ZINC001226260396 1311638827 /nfs/dbraw/zinc/63/88/27/1311638827.db2.gz ZDOYWEGXQOSYLT-BJHJDKERSA-N 0 1 341.795 2.665 20 5 EFBDMN C[C@@H](c1ccccn1)N1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226711813 1311711194 /nfs/dbraw/zinc/71/11/94/1311711194.db2.gz GOPIWWDIPOMQII-ZFWWWQNUSA-N 0 1 328.372 2.989 20 5 EFBDMN O=C(/C=C\C1CC1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226777521 1311721678 /nfs/dbraw/zinc/72/16/78/1311721678.db2.gz CYAYUWVZPNMRHV-YVMONPNESA-N 0 1 329.400 2.642 20 5 EFBDMN CC(C)CCOC(=O)[C@@H](C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095968 1311761710 /nfs/dbraw/zinc/76/17/10/1311761710.db2.gz MONNFRWKKZBICW-SNVBAGLBSA-N 0 1 349.343 2.600 20 5 EFBDMN CCOC(=O)[C@@H](CC(C)C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227096669 1311761876 /nfs/dbraw/zinc/76/18/76/1311761876.db2.gz RHGMKUGGBKGXBV-CYBMUJFWSA-N 0 1 349.343 2.600 20 5 EFBDMN O=[N+]([O-])c1cnc(O[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001227104652 1311762037 /nfs/dbraw/zinc/76/20/37/1311762037.db2.gz ANTJOLWYVGKNHB-CQSZACIVSA-N 0 1 344.327 2.551 20 5 EFBDMN O=[N+]([O-])c1cccc2ncnc(NCCN3CCC(F)(F)CC3)c21 ZINC001160753576 1311774910 /nfs/dbraw/zinc/77/49/10/1311774910.db2.gz MQNNTGZUSVWSCZ-UHFFFAOYSA-N 0 1 337.330 2.681 20 5 EFBDMN O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CN2CCC1CC2 ZINC001227603558 1311827806 /nfs/dbraw/zinc/82/78/06/1311827806.db2.gz HAKYVESUDPRXTH-CYBMUJFWSA-N 0 1 332.278 2.966 20 5 EFBDMN O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CN2CCC1CC2 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KDIQNMWEJJFAKM-VIFPVBQESA-N 0 1 341.327 2.756 20 5 EFBDMN O=c1[nH]c(C2CC2)nc(O[C@@H]2CCCc3cccnc32)c1[N+](=O)[O-] ZINC001228606717 1311969344 /nfs/dbraw/zinc/96/93/44/1311969344.db2.gz RHQJBMOTIKHLFG-LLVKDONJSA-N 0 1 328.328 2.819 20 5 EFBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228655076 1311976492 /nfs/dbraw/zinc/97/64/92/1311976492.db2.gz PGZVDJRBNJQXTP-XJKSGUPXSA-N 0 1 328.372 2.674 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2COCc3ccccc32)cc1O ZINC001228814437 1312004175 /nfs/dbraw/zinc/00/41/75/1312004175.db2.gz NXEOFGRLCUYIDS-INIZCTEOSA-N 0 1 345.307 2.737 20 5 EFBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCCC(=O)C2(C)C)cc1O ZINC001228814103 1312004242 /nfs/dbraw/zinc/00/42/42/1312004242.db2.gz IYYOVLJGBWIZSR-AWEZNQCLSA-N 0 1 337.328 2.614 20 5 EFBDMN O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CC[NH+](C2CC2)CC1 ZINC001228859947 1312011017 /nfs/dbraw/zinc/01/10/17/1312011017.db2.gz OGIJPJTVJOYICS-UHFFFAOYSA-N 0 1 347.293 2.720 20 5 EFBDMN C[C@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])C1CCOCC1 ZINC001228861100 1312011405 /nfs/dbraw/zinc/01/14/05/1312011405.db2.gz BHOBPHNPTVEVBI-ZETCQYMHSA-N 0 1 336.266 2.908 20 5 EFBDMN Cc1c([C@H](C)Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])cnn1C ZINC001228861145 1312011881 /nfs/dbraw/zinc/01/18/81/1312011881.db2.gz DAPCPQSDKGKODZ-ZETCQYMHSA-N 0 1 346.265 2.896 20 5 EFBDMN CCN1CC[C@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228939213 1312023765 /nfs/dbraw/zinc/02/37/65/1312023765.db2.gz SQILOGKJRVZJNT-QMMMGPOBSA-N 0 1 333.157 2.969 20 5 EFBDMN COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1CN2CCC1CC2 ZINC001228962768 1312027884 /nfs/dbraw/zinc/02/78/84/1312027884.db2.gz MQCXKXKUGIEVMS-ZDUSSCGKSA-N 0 1 340.763 2.508 20 5 EFBDMN O=c1[nH]c(=O)c(F)c(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)[nH]1 ZINC001229126492 1312050607 /nfs/dbraw/zinc/05/06/07/1312050607.db2.gz XQJMEIKLKUZBGM-QMMMGPOBSA-N 0 1 349.196 2.618 20 5 EFBDMN CCOC(=O)c1c(CN)ncn1-c1cc2cccnc2c2ncccc12 ZINC001162537329 1312120761 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COc1ncc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)cc1C ZINC001216925548 1315022896 /nfs/dbraw/zinc/02/28/96/1315022896.db2.gz QYBUXXGRUYOIMS-UHFFFAOYSA-N 0 1 328.284 2.729 20 5 EFBDMN Cc1ncc([N+](=O)[O-])cc1Nc1c(F)cccc1N1CCN(C)CC1 ZINC001249558474 1315097460 /nfs/dbraw/zinc/09/74/60/1315097460.db2.gz LPXMCKJRMJDKDV-UHFFFAOYSA-N 0 1 345.378 2.933 20 5 EFBDMN O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217986612 1315129922 /nfs/dbraw/zinc/12/99/22/1315129922.db2.gz UDHTVKUXIUBOIO-LDYMZIIASA-N 0 1 349.156 2.532 20 5 EFBDMN O=c1oc2cc(O[C@@H]3CNCC3(F)F)ccc2c2ccc(O)cc12 ZINC001218237217 1315169008 /nfs/dbraw/zinc/16/90/08/1315169008.db2.gz UALCTWSSLVAAOA-OAHLLOKOSA-N 0 1 333.290 2.638 20 5 EFBDMN COc1cccc2c1nc(-c1cc([N+](=O)[O-])cc(OC)c1O)n2C ZINC001250820912 1315272297 /nfs/dbraw/zinc/27/22/97/1315272297.db2.gz UHRZWKJSMSQOPF-UHFFFAOYSA-N 0 1 329.312 2.871 20 5 EFBDMN COc1cc([N+](=O)[O-])cc(-c2nc3ccc(C[NH+](C)C)cc3[nH]2)c1[O-] ZINC001250820043 1315272390 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20 5 EFBDMN COC(=O)c1cc2[nH]c(-c3ccc(N)c([N+](=O)[O-])c3)nc2cc1OC ZINC001250951875 1315300299 /nfs/dbraw/zinc/30/02/99/1315300299.db2.gz ZQHGNXVTMCBXQQ-UHFFFAOYSA-N 0 1 342.311 2.516 20 5 EFBDMN COc1c(O)ccc(-c2nc3ccc(N(C)C)cc3[nH]2)c1[N+](=O)[O-] ZINC001250980839 1315306410 /nfs/dbraw/zinc/30/64/10/1315306410.db2.gz YHVQLEFIICCKPR-UHFFFAOYSA-N 0 1 328.328 2.918 20 5 EFBDMN Cn1c2cc3nc[nH]c(=O)c3cc2nc1-c1ccc([N+](=O)[O-])cc1O ZINC001251009283 1315310493 /nfs/dbraw/zinc/31/04/93/1315310493.db2.gz HEVGFKAHDZVLHU-UHFFFAOYSA-N 0 1 337.295 2.503 20 5 EFBDMN Cc1cc(N2CCOCC2)cc2[nH]c(-c3ncccc3[N+](=O)[O-])nc21 ZINC001251526878 1315352911 /nfs/dbraw/zinc/35/29/11/1315352911.db2.gz UGMJULLKAKGCFG-UHFFFAOYSA-N 0 1 339.355 2.678 20 5 EFBDMN C[C@@]1(O)C[C@H](NC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)C1 ZINC001220150079 1315375808 /nfs/dbraw/zinc/37/58/08/1315375808.db2.gz PMXYBUDGJOUVAM-XUEUYAKLSA-N 0 1 348.446 2.892 20 5 EFBDMN CC(C)(C)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC001253304154 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344.415 2.505 20 5 EFBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCN(C(=O)C2CCC2)CC1 ZINC001254561036 1315724253 /nfs/dbraw/zinc/72/42/53/1315724253.db2.gz DNBNJQQZKSCKRD-HNNXBMFYSA-N 0 1 345.443 2.860 20 5 EFBDMN COc1ccccc1C(=O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579964 1315727177 /nfs/dbraw/zinc/72/71/77/1315727177.db2.gz XUKRMJRZNYSMRT-AWEZNQCLSA-N 0 1 326.352 2.543 20 5 EFBDMN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1F ZINC001254584140 1315727370 /nfs/dbraw/zinc/72/73/70/1315727370.db2.gz QDUMRWRUZGKQRN-ZDUSSCGKSA-N 0 1 332.306 2.813 20 5 EFBDMN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cc(F)cc(F)c1 ZINC001254589611 1315728404 /nfs/dbraw/zinc/72/84/04/1315728404.db2.gz PVCQTIOJBDRJTM-HNNXBMFYSA-N 0 1 332.306 2.813 20 5 EFBDMN Cc1ccc2c(n1)N(C)CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254598309 1315728845 /nfs/dbraw/zinc/72/88/45/1315728845.db2.gz WGCGHFNRNZDOIQ-SFHVURJKSA-N 0 1 338.411 2.717 20 5 EFBDMN CC(C)(C)OC(=O)NCC1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593683 1315729256 /nfs/dbraw/zinc/72/92/56/1315729256.db2.gz NUIYYZWTASXGKT-INIZCTEOSA-N 0 1 347.415 2.519 20 5 EFBDMN Cc1ccc(N2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)nc1 ZINC001254602626 1315729668 /nfs/dbraw/zinc/72/96/68/1315729668.db2.gz HDNZQOPNEPGGMU-SFHVURJKSA-N 0 1 338.411 2.588 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCc3nc(Cl)ncc3C1)C2 ZINC001254604061 1315729962 /nfs/dbraw/zinc/72/99/62/1315729962.db2.gz UDSIZLWBXITDNE-AWEZNQCLSA-N 0 1 330.775 2.564 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCc3cnc(C4CC4)nc3C1)C2 ZINC001254605242 1315730270 /nfs/dbraw/zinc/73/02/70/1315730270.db2.gz AQFSRSUGRRIVJY-QGZVFWFLSA-N 0 1 336.395 2.788 20 5 EFBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCc3nc(C4CC4)ncc3C1)C2 ZINC001254609317 1315731151 /nfs/dbraw/zinc/73/11/51/1315731151.db2.gz VJGRBIYPWZCHNX-KRWDZBQOSA-N 0 1 336.395 2.788 20 5 EFBDMN O=C(NCCN1CC=CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001255104447 1315774690 /nfs/dbraw/zinc/77/46/90/1315774690.db2.gz ZKNPJMYMEUKLNX-UHFFFAOYSA-N 0 1 344.293 2.607 20 5 EFBDMN O=[N+]([O-])c1cccc(-c2cc(-c3nnc([C@H]4CCOC4)o3)[nH]n2)c1 ZINC001255585632 1315844121 /nfs/dbraw/zinc/84/41/21/1315844121.db2.gz FTUIWDPWALNPJE-JTQLQIEISA-N 0 1 327.300 2.539 20 5 EFBDMN COc1cc(N2CCC(N3CCC(=O)C[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094379 1315904127 /nfs/dbraw/zinc/90/41/27/1315904127.db2.gz YWQOQZNKDVPBIG-ZDUSSCGKSA-N 0 1 347.415 2.626 20 5 EFBDMN Cc1cccc(-c2nnc(CCN3C[C@@H](C)O[C@H](C)C3)o2)c1[N+](=O)[O-] ZINC001258019417 1316112008 /nfs/dbraw/zinc/11/20/08/1316112008.db2.gz NPFWVPOSEAVSDM-CHWSQXEVSA-N 0 1 346.387 2.605 20 5 EFBDMN O=S(=O)(Nc1cccc2nc3ccccc3nc21)C1CCOCC1 ZINC001259915434 1316297302 /nfs/dbraw/zinc/29/73/02/1316297302.db2.gz GKSHHMWCLIQXCZ-UHFFFAOYSA-N 0 1 343.408 2.704 20 5 EFBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2(C(F)(F)F)CC2)cc1C ZINC001262078126 1316447457 /nfs/dbraw/zinc/44/74/57/1316447457.db2.gz ZESFIOQKDNBZLH-UHFFFAOYSA-N 0 1 338.307 2.585 20 5 EFBDMN CC(C)(C)[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1Br ZINC001262276217 1316458153 /nfs/dbraw/zinc/45/81/53/1316458153.db2.gz YDTHTQVYLNGGOQ-GFCCVEGCSA-N 0 1 331.210 2.854 20 5 EFBDMN CC(C)(C)[C@H](CO)NCc1cc([N+](=O)[O-])ccc1Br ZINC001262276218 1316458174 /nfs/dbraw/zinc/45/81/74/1316458174.db2.gz YDTHTQVYLNGGOQ-LBPRGKRZSA-N 0 1 331.210 2.854 20 5 EFBDMN CN1CCCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001262652784 1316477594 /nfs/dbraw/zinc/47/75/94/1316477594.db2.gz PXYIIPIZVSLTOB-LLVKDONJSA-N 0 1 345.321 2.828 20 5 EFBDMN Cc1cc(Cl)c(C(=O)NC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001262653102 1316477691 /nfs/dbraw/zinc/47/76/91/1316477691.db2.gz ZQIMKSNOKOMUBR-NSHDSACASA-N 0 1 325.796 2.771 20 5 EFBDMN CC[C@H](C)N1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001263629700 1316552639 /nfs/dbraw/zinc/55/26/39/1316552639.db2.gz LOCYYLRKYDRMOU-LBPRGKRZSA-N 0 1 336.392 2.551 20 5 EFBDMN CSc1ccc(C(=O)N2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001319371821 1328865594 /nfs/dbraw/zinc/86/55/94/1328865594.db2.gz ACTZDSUKSSYYRV-UHFFFAOYSA-N 0 1 337.445 2.873 20 5 EFBDMN O=C(NCCCCOc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001320367987 1329116597 /nfs/dbraw/zinc/11/65/97/1329116597.db2.gz URJVDEDGSIJBFI-UHFFFAOYSA-N 0 1 330.340 2.889 20 5 EFBDMN CCc1[nH]nc(C(=O)N(C)Cc2cc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC001320805477 1329304488 /nfs/dbraw/zinc/30/44/88/1329304488.db2.gz VTCCJDYHWXUDQB-UHFFFAOYSA-N 0 1 327.344 2.634 20 5 EFBDMN CC(C)(C)N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC001321830366 1329411405 /nfs/dbraw/zinc/41/14/05/1329411405.db2.gz VAPHSAFRHHDTOR-UHFFFAOYSA-N 0 1 345.403 2.561 20 5 EFBDMN C[C@@H](c1nc([C@@H]2CN3CCC2CC3)no1)c1cccc([N+](=O)[O-])c1 ZINC001323556102 1329551368 /nfs/dbraw/zinc/55/13/68/1329551368.db2.gz FYLCJWDOYKWQRP-IAQYHMDHSA-N 0 1 328.372 2.939 20 5 EFBDMN CCN(Cc1ccccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001323716275 1329564303 /nfs/dbraw/zinc/56/43/03/1329564303.db2.gz XGXWBAGWXWBDMH-HNNXBMFYSA-N 0 1 348.374 2.996 20 5 EFBDMN O=C(c1cn[nH]c1-c1ccccn1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001323907591 1329583952 /nfs/dbraw/zinc/58/39/52/1329583952.db2.gz SVALDICSTXNRKR-UHFFFAOYSA-N 0 1 335.323 2.536 20 5 EFBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN(C(C)(C)C)CC2)c1 ZINC001325107721 1329670801 /nfs/dbraw/zinc/67/08/01/1329670801.db2.gz LCBZSTUKSUXXBR-UHFFFAOYSA-N 0 1 349.431 2.615 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC001327149951 1330430991 /nfs/dbraw/zinc/43/09/91/1330430991.db2.gz HSZKXRALBQDYRS-KSSFIOAISA-N 0 1 342.399 2.917 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@@H]3OCCC[C@H]3C2)o1 ZINC001333018685 1331066468 /nfs/dbraw/zinc/06/64/68/1331066468.db2.gz FFDHZBRVKUTDQD-WFASDCNBSA-N 0 1 344.371 2.646 20 5 EFBDMN Cc1cc(CN2CCCN(Cc3cccc([N+](=O)[O-])c3C)CC2)no1 ZINC001333369560 1331127416 /nfs/dbraw/zinc/12/74/16/1331127416.db2.gz ALALATNCKRQJBA-UHFFFAOYSA-N 0 1 344.415 2.908 20 5 EFBDMN CCOc1ccc(CN(C)CCn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC001333383867 1331130178 /nfs/dbraw/zinc/13/01/78/1331130178.db2.gz CZKUNNCPGXJDHS-UHFFFAOYSA-N 0 1 348.403 2.639 20 5 EFBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCCC(F)F)c1 ZINC001334309085 1331282203 /nfs/dbraw/zinc/28/22/03/1331282203.db2.gz PLTDRSWTNPKYLE-UHFFFAOYSA-N 0 1 346.714 2.711 20 5 EFBDMN C[C@H]1CCCN(C(=O)CCNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001335444091 1331348342 /nfs/dbraw/zinc/34/83/42/1331348342.db2.gz JKAWTRJJWIHHKN-LBPRGKRZSA-N 0 1 339.823 2.986 20 5 EFBDMN CC(C)(C)c1ccc(C(=O)N[C@@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC001336158991 1331441125 /nfs/dbraw/zinc/44/11/25/1331441125.db2.gz XDQMMQLVQJMRNM-OAHLLOKOSA-N 0 1 331.416 2.716 20 5 EFBDMN C[C@@H](Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C ZINC001336725207 1331496619 /nfs/dbraw/zinc/49/66/19/1331496619.db2.gz CSLKFABRYHJAKR-QMTHXVAHSA-N 0 1 346.353 2.660 20 5 EFBDMN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccc(Cl)c2)n[nH]1 ZINC001337483861 1331579559 /nfs/dbraw/zinc/57/95/59/1331579559.db2.gz NASKZHKGUOHHDW-UHFFFAOYSA-N 0 1 346.734 2.624 20 5 EFBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C3CCCCC3)c2)CC1 ZINC001337704244 1331593545 /nfs/dbraw/zinc/59/35/45/1331593545.db2.gz PXDKKRFPZVHLFH-UHFFFAOYSA-N 0 1 346.431 2.865 20 5 EFBDMN O=C(NCc1ccc(Br)o1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001338656055 1331723013 /nfs/dbraw/zinc/72/30/13/1331723013.db2.gz OHFZVHZIXXPPEF-UHFFFAOYSA-N 0 1 341.117 2.586 20 5 EFBDMN CN1CCN(C(C)(C)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001338872908 1331750832 /nfs/dbraw/zinc/75/08/32/1331750832.db2.gz PNKZOMGYJGKVRY-UHFFFAOYSA-N 0 1 343.431 2.581 20 5 EFBDMN C[C@@H]1CC[C@@H](C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])C1 ZINC001339066824 1331781984 /nfs/dbraw/zinc/78/19/84/1331781984.db2.gz YVDWGPOCJICRJF-ZIAGYGMSSA-N 0 1 346.431 2.721 20 5 EFBDMN COC(=O)[C@H]1CCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001339439422 1331867393 /nfs/dbraw/zinc/86/73/93/1331867393.db2.gz TXGIBLKULCFRRJ-GJZGRUSLSA-N 0 1 345.355 2.681 20 5 EFBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC001339453660 1331870973 /nfs/dbraw/zinc/87/09/73/1331870973.db2.gz GQSSGUZXWGSAQB-UHFFFAOYSA-N 0 1 346.431 2.727 20 5 EFBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NC)n[nH]1 ZINC001343635608 1332364725 /nfs/dbraw/zinc/36/47/25/1332364725.db2.gz RRDNKPPUOHZTKW-UWVGGRQHSA-N 0 1 346.391 2.759 20 5 EFBDMN CON(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C)c1csc(C)n1 ZINC001347998011 1332791651 /nfs/dbraw/zinc/79/16/51/1332791651.db2.gz CYGABLDUBZQGNW-QMMMGPOBSA-N 0 1 337.357 2.830 20 5 EFBDMN Cc1coc(C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])c1 ZINC001349896093 1333010754 /nfs/dbraw/zinc/01/07/54/1333010754.db2.gz LBNCMWJNSLQNBV-UHFFFAOYSA-N 0 1 344.371 2.500 20 5 EFBDMN O=C(NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)C1CC=CC1 ZINC001002507215 1334311127 /nfs/dbraw/zinc/31/11/27/1334311127.db2.gz CHNYCXJPQHXISJ-UHFFFAOYSA-N 0 1 329.400 2.642 20 5 EFBDMN O=C(NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)C1=CCCC1 ZINC001002587191 1334442267 /nfs/dbraw/zinc/44/22/67/1334442267.db2.gz FLQHHROTOHRSTA-UHFFFAOYSA-N 0 1 329.400 2.786 20 5 EFBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccsc3)c2)CC1 ZINC001355082897 1334695751 /nfs/dbraw/zinc/69/57/51/1334695751.db2.gz UXIDSIHGWNUVBP-UHFFFAOYSA-N 0 1 346.412 2.660 20 5 EFBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@@]3(CCOC3)C2)c1 ZINC000848482827 1334740192 /nfs/dbraw/zinc/74/01/92/1334740192.db2.gz VVWZUIMMZHPXNQ-QGZVFWFLSA-N 0 1 328.372 2.528 20 5 EFBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCc1n[nH]c([C@H]2CCCO2)n1 ZINC000848563440 1334795796 /nfs/dbraw/zinc/79/57/96/1334795796.db2.gz VKCKFLDUQWWTOP-GFCCVEGCSA-N 0 1 337.767 2.508 20 5 EFBDMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000849346216 1335595737 /nfs/dbraw/zinc/59/57/37/1335595737.db2.gz QNBXEPYGISQMCH-VQHPVUNQSA-N 0 1 348.399 2.594 20 5 EFBDMN C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824604358 1429485977 /nfs/dbraw/zinc/48/59/77/1429485977.db2.gz BNAKZXTUVOVHNE-LBPRGKRZSA-N 0 1 338.371 2.668 20 5 EFBDMN CN(CCNCc1csc([N+](=O)[O-])c1)C(=O)CC1CC(F)(F)C1 ZINC001753205223 1426326964 /nfs/dbraw/zinc/32/69/64/1426326964.db2.gz GTBHDYLXROALPL-UHFFFAOYSA-N 0 1 347.387 2.640 20 5 EFBDMN C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824619242 1427940524 /nfs/dbraw/zinc/94/05/24/1427940524.db2.gz VQARRRIALLOTTL-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000824626702 1443474600 /nfs/dbraw/zinc/47/46/00/1443474600.db2.gz RXDRNBKEWLXCMP-SNVBAGLBSA-N 0 1 342.334 2.765 20 5 EFBDMN C[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)Cc1ccccc1[N+](=O)[O-] ZINC000736819125 1443963834 /nfs/dbraw/zinc/96/38/34/1443963834.db2.gz IJWUHLYKWXUSMP-UHFFFAOYSA-N 0 1 342.334 2.546 20 5 EFBDMN C[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)Cc1ccccc1[N+](=O)[O-] ZINC000736819125 1443963836 /nfs/dbraw/zinc/96/38/36/1443963836.db2.gz IJWUHLYKWXUSMP-UHFFFAOYSA-N 0 1 342.334 2.546 20 5 EFBDMN C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824618605 1446173251 /nfs/dbraw/zinc/17/32/51/1446173251.db2.gz QCBGOARYUXTNNI-JTQLQIEISA-N 0 1 342.334 2.765 20 5 EFBDMN COc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000120185194 712979877 /nfs/dbraw/zinc/97/98/77/712979877.db2.gz LWFILFROHWOZEO-UHFFFAOYSA-N 0 1 332.334 2.605 20 5 EFBDMN Cc1ccoc1CC(=O)N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001020561863 713191159 /nfs/dbraw/zinc/19/11/59/713191159.db2.gz MJTWOUBLAXMUNM-JOCQHMNTSA-N 0 1 349.412 2.537 20 5 EFBDMN O=C(N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1)C(C1CC1)C1CC1 ZINC001020905345 713435729 /nfs/dbraw/zinc/43/57/29/713435729.db2.gz YUBRDXNXISMSEU-HDJSIYSDSA-N 0 1 349.456 2.829 20 5 EFBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)c1ccc(F)cc1 ZINC001021777615 714463514 /nfs/dbraw/zinc/46/35/14/714463514.db2.gz QDNGJVGQARKJNA-OKILXGFUSA-N 0 1 349.387 2.846 20 5 EFBDMN CCCN(CC)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000934044658 715180447 /nfs/dbraw/zinc/18/04/47/715180447.db2.gz XJLUPVCJYOLHFO-UHFFFAOYSA-N 0 1 349.435 2.610 20 5 EFBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)C1(C2CC2)CCC1 ZINC001022501142 715189226 /nfs/dbraw/zinc/18/92/26/715189226.db2.gz MZWJCMJGORLAFW-OKILXGFUSA-N 0 1 349.456 2.973 20 5 EFBDMN Cc1nc([C@@H](C)OC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000840536227 715223882 /nfs/dbraw/zinc/22/38/82/715223882.db2.gz WEAMUSKOBICDAP-ZCFIWIBFSA-N 0 1 342.714 2.661 20 5 EFBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc4c3OCC4)C2)nc1 ZINC000892078834 715244122 /nfs/dbraw/zinc/24/41/22/715244122.db2.gz TZKSXDQMTIRSFO-OAHLLOKOSA-N 0 1 340.383 2.611 20 5 EFBDMN O=[N+]([O-])c1cccc(F)c1CN1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934438433 715475404 /nfs/dbraw/zinc/47/54/04/715475404.db2.gz PVOXOSRRVVOHIG-RDTXWAMCSA-N 0 1 330.359 2.769 20 5 EFBDMN C[C@@H](Cn1cccn1)NCc1cccc([N+](=O)[O-])c1Br ZINC000235129995 715899679 /nfs/dbraw/zinc/89/96/79/715899679.db2.gz URZZTUYIDCCPPT-JTQLQIEISA-N 0 1 339.193 2.732 20 5 EFBDMN COc1c(O)ccc(CNCCOc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000892511407 718084604 /nfs/dbraw/zinc/08/46/04/718084604.db2.gz DJQCWIBCSJMJFO-UHFFFAOYSA-N 0 1 336.319 2.617 20 5 EFBDMN O=C(C1CCC1)N1CC2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981572024 718818861 /nfs/dbraw/zinc/81/88/61/718818861.db2.gz NGSOWTZVOPRQAY-UHFFFAOYSA-N 0 1 343.427 2.819 20 5 EFBDMN CC(C)(F)C(=O)N1CC2(C1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000981575134 718822931 /nfs/dbraw/zinc/82/29/31/718822931.db2.gz NVCBIRIMHZVOPO-UHFFFAOYSA-N 0 1 349.406 2.767 20 5 EFBDMN CC(C)(F)C(=O)N1CC2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981575385 718823379 /nfs/dbraw/zinc/82/33/79/718823379.db2.gz RGLDYZJCZSRXHY-UHFFFAOYSA-N 0 1 349.406 2.767 20 5 EFBDMN CN(Cc1csc([N+](=O)[O-])c1)CC1CCN(C(=O)C2CC2)CC1 ZINC001029923602 724564663 /nfs/dbraw/zinc/56/46/63/724564663.db2.gz NYAMARJQSUNBCT-UHFFFAOYSA-N 0 1 337.445 2.737 20 5 EFBDMN O=C(N[C@@H]1[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1cccs1 ZINC001025658679 719289112 /nfs/dbraw/zinc/28/91/12/719289112.db2.gz OQBJSGXLDFKNPE-FOLVSLTJSA-N 0 1 343.408 2.517 20 5 EFBDMN O=C(CC1CCCC1)N[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025657779 719290719 /nfs/dbraw/zinc/29/07/19/719290719.db2.gz BKDLRLZBJTULDA-DZFIZOCASA-N 0 1 343.427 2.722 20 5 EFBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCN(CC(C)C)CC2)n1 ZINC001164650939 719330301 /nfs/dbraw/zinc/33/03/01/719330301.db2.gz AUGUCFMGFRAIPN-UHFFFAOYSA-N 0 1 345.856 2.538 20 5 EFBDMN CC(C)C(=O)N1CCC(CN(C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001029936970 724621004 /nfs/dbraw/zinc/62/10/04/724621004.db2.gz CGZYMIWZJRLZIN-UHFFFAOYSA-N 0 1 339.461 2.983 20 5 EFBDMN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](Nc3ccc([N+](=O)[O-])c(C)c3)C2)c1C ZINC001059588800 724661059 /nfs/dbraw/zinc/66/10/59/724661059.db2.gz HDEXTWCRZCFMHC-OKILXGFUSA-N 0 1 343.387 2.616 20 5 EFBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cnn(C4CCC4)c3)CC2)n1 ZINC000894080202 720271880 /nfs/dbraw/zinc/27/18/80/720271880.db2.gz VKYIESYTGNBKMM-UHFFFAOYSA-N 0 1 330.392 2.550 20 5 EFBDMN Cc1nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164725545 720333526 /nfs/dbraw/zinc/33/35/26/720333526.db2.gz NLVGVVHBHPNRRU-SJORKVTESA-N 0 1 339.399 2.546 20 5 EFBDMN Cc1cnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164727287 720334604 /nfs/dbraw/zinc/33/46/04/720334604.db2.gz SQISWBFUSFNCMJ-JKSUJKDBSA-N 0 1 339.399 2.546 20 5 EFBDMN Cc1ccnc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164722181 720353525 /nfs/dbraw/zinc/35/35/25/720353525.db2.gz FHJGIQXULLMWOO-HZPDHXFCSA-N 0 1 339.399 2.546 20 5 EFBDMN CC(C)N(C)Cc1cnc2n1CCN(c1cccc([N+](=O)[O-])n1)[C@@H]2C ZINC001164863372 720936127 /nfs/dbraw/zinc/93/61/27/720936127.db2.gz ZOGSWPDZKKMQSJ-CYBMUJFWSA-N 0 1 344.419 2.608 20 5 EFBDMN COCCCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000066854692 721141680 /nfs/dbraw/zinc/14/16/80/721141680.db2.gz JCSGOOACHMLMJM-UHFFFAOYSA-N 0 1 347.337 2.772 20 5 EFBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000840672613 722033568 /nfs/dbraw/zinc/03/35/68/722033568.db2.gz DFKHXBPBYWANGS-FMTFEUNWSA-N 0 1 347.154 2.529 20 5 EFBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000840672869 722078994 /nfs/dbraw/zinc/07/89/94/722078994.db2.gz XQVOHPOPELQJEG-VAOFZXAKSA-N 0 1 325.271 2.701 20 5 EFBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1Cl ZINC000840673507 722099260 /nfs/dbraw/zinc/09/92/60/722099260.db2.gz QPVBJVJJVCJSJA-NYNCVSEMSA-N 0 1 347.154 2.529 20 5 EFBDMN CCC[C@H](C)C(=O)NCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894606321 722790961 /nfs/dbraw/zinc/79/09/61/722790961.db2.gz VADKOBLWOUHGSS-NSHDSACASA-N 0 1 327.812 2.890 20 5 EFBDMN COc1c(O)ccc(CN(C)[C@H]2C[C@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894754622 722836901 /nfs/dbraw/zinc/83/69/01/722836901.db2.gz YVLXMCUIWBAGLJ-KBPBESRZSA-N 0 1 336.388 2.698 20 5 EFBDMN COc1c(O)ccc(CN(C)C[C@](C)(O)c2ccccc2)c1[N+](=O)[O-] ZINC000895012002 723049700 /nfs/dbraw/zinc/04/97/00/723049700.db2.gz KDTHPUJVHFYYLE-SFHVURJKSA-N 0 1 346.383 2.649 20 5 EFBDMN COc1cc([N+](=O)[O-])cnc1N1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000895225820 723893633 /nfs/dbraw/zinc/89/36/33/723893633.db2.gz ITHNDBVPQGIMFS-UHFFFAOYSA-N 0 1 331.376 2.722 20 5 EFBDMN CN(Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000985270712 724050249 /nfs/dbraw/zinc/05/02/49/724050249.db2.gz UBYXWORGVRRTEB-UHFFFAOYSA-N 0 1 349.412 2.986 20 5 EFBDMN CCCCSCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000728608742 724106585 /nfs/dbraw/zinc/10/65/85/724106585.db2.gz SEJCSQRIZNDPLZ-UHFFFAOYSA-N 0 1 335.389 2.852 20 5 EFBDMN CCN(CC(C)C)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000728706589 724142180 /nfs/dbraw/zinc/14/21/80/724142180.db2.gz VXHWOWHFWVYLDZ-UHFFFAOYSA-N 0 1 332.404 2.791 20 5 EFBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC2(CC1)C[C@H](O)CCO2 ZINC000897262070 724145447 /nfs/dbraw/zinc/14/54/47/724145447.db2.gz UFJHYVCNUKXGJH-LLCTXKFZSA-N 0 1 332.400 2.614 20 5 EFBDMN CCO/C=C/[C@](O)(CNCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000895706925 724266275 /nfs/dbraw/zinc/26/62/75/724266275.db2.gz AFCHPCJYCYLGOL-YBJDMEARSA-N 0 1 334.294 2.528 20 5 EFBDMN CCO/C=C\[C@@](O)(CNCc1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000895715986 724275529 /nfs/dbraw/zinc/27/55/29/724275529.db2.gz FSFKABLWPKQJJU-WBTMPAOCSA-N 0 1 348.321 2.836 20 5 EFBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H](CO)C[C@H]1CCCO1 ZINC000895747439 724293402 /nfs/dbraw/zinc/29/34/02/724293402.db2.gz HYOCWMNJKCLWLM-NWDGAFQWSA-N 0 1 349.214 2.921 20 5 EFBDMN CC(C)(C)OC(=O)NC1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000897422283 725515769 /nfs/dbraw/zinc/51/57/69/725515769.db2.gz GTJLUFZSMCZVCV-UHFFFAOYSA-N 0 1 327.406 2.803 20 5 EFBDMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000263551189 725902174 /nfs/dbraw/zinc/90/21/74/725902174.db2.gz KYNJUNAWJIXKDY-NSHDSACASA-N 0 1 341.795 2.624 20 5 EFBDMN CC1(C)[C@H](NCc2cccc([N+](=O)[O-])c2Br)C[C@@H]1O ZINC000232784987 726297085 /nfs/dbraw/zinc/29/70/85/726297085.db2.gz FOXKPPURKWKHSZ-MNOVXSKESA-N 0 1 329.194 2.606 20 5 EFBDMN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)c1ccc(F)c(F)c1 ZINC000915355249 726958282 /nfs/dbraw/zinc/95/82/82/726958282.db2.gz NTVUEULFXVMFAG-OAHLLOKOSA-N 0 1 338.310 2.705 20 5 EFBDMN Cc1n[nH]c(C(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000732560812 727154620 /nfs/dbraw/zinc/15/46/20/727154620.db2.gz OOHQBKWTBNZYFQ-SSDOTTSWSA-N 0 1 348.750 2.647 20 5 EFBDMN C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732568604 727158652 /nfs/dbraw/zinc/15/86/52/727158652.db2.gz CCUKLTZUQNBJGY-LURJTMIESA-N 0 1 333.739 2.670 20 5 EFBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)C3(CCCCC3)C2)c1 ZINC000908572794 727218621 /nfs/dbraw/zinc/21/86/21/727218621.db2.gz BDQBMYCQKHFWGZ-UHFFFAOYSA-N 0 1 347.415 2.694 20 5 EFBDMN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC12CCCCC2 ZINC000908578156 727220731 /nfs/dbraw/zinc/22/07/31/727220731.db2.gz VFVRSJYPSSBKDQ-UHFFFAOYSA-N 0 1 335.379 2.824 20 5 EFBDMN CC[N@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)C1 ZINC000910265538 727424944 /nfs/dbraw/zinc/42/49/44/727424944.db2.gz ISWUKVPNNZOLNZ-JTQLQIEISA-N 0 1 341.795 2.510 20 5 EFBDMN C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000911302838 727523869 /nfs/dbraw/zinc/52/38/69/727523869.db2.gz ZTHUOUMXTMTIHF-TVQRCGJNSA-N 0 1 341.770 2.554 20 5 EFBDMN CC(C)(CCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1)[N+](=O)[O-] ZINC000913511495 727859824 /nfs/dbraw/zinc/85/98/24/727859824.db2.gz VJVXKAGHLZAVCB-QGZVFWFLSA-N 0 1 342.399 2.719 20 5 EFBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)nc1 ZINC000221852891 727897760 /nfs/dbraw/zinc/89/77/60/727897760.db2.gz PIPKRDQIBVVSPZ-UHFFFAOYSA-N 0 1 327.749 2.752 20 5 EFBDMN C[C@H](C[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)[O-] ZINC000901595761 728019872 /nfs/dbraw/zinc/01/98/72/728019872.db2.gz BXSMEEVFLGSNSQ-ZCFIWIBFSA-N 0 1 337.195 2.571 20 5 EFBDMN C[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Cl)cc2[nH]1 ZINC000171800712 728554543 /nfs/dbraw/zinc/55/45/43/728554543.db2.gz STUYNYHEHKKINA-QMMMGPOBSA-N 0 1 349.734 2.625 20 5 EFBDMN