smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000274987733 550569755 /nfs/dbraw/zinc/56/97/55/550569755.db2.gz MFRPPQHCQDFXMU-QMMMGPOBSA-N -2 1 350.780 2.027 20 5 FEBDML CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000828672612 601478924 /nfs/dbraw/zinc/47/89/24/601478924.db2.gz UHOLTWVNLNVDQO-GFCCVEGCSA-N -2 1 350.780 2.170 20 5 FEBDML COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c(C)c1 ZINC000833733691 605327691 /nfs/dbraw/zinc/32/76/91/605327691.db2.gz ZEBFLLKZHVQQKE-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)(CC(=O)[O-])C1 ZINC000547890663 673898242 /nfs/dbraw/zinc/89/82/42/673898242.db2.gz ZJRUMRJQZVMWNM-RNCFNFMXSA-N -2 1 362.429 2.216 20 5 FEBDML Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1C ZINC000013464451 324376356 /nfs/dbraw/zinc/37/63/56/324376356.db2.gz XRUHBJDVNIXCDS-UHFFFAOYSA-N -2 1 366.351 2.416 20 5 FEBDML O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000740025758 600447533 /nfs/dbraw/zinc/44/75/33/600447533.db2.gz WLHDSPOYSZOUCY-UHFFFAOYSA-N -2 1 371.396 2.267 20 5 FEBDML COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000833733489 605325058 /nfs/dbraw/zinc/32/50/58/605325058.db2.gz REYVHMYUUFTWDK-UHFFFAOYSA-N -2 1 352.324 2.102 20 5 FEBDML O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC1CC1 ZINC000593276369 672901611 /nfs/dbraw/zinc/90/16/11/672901611.db2.gz IUYUIRIOKKMVBI-SECBINFHSA-N -2 1 362.791 2.027 20 5 FEBDML O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000548197131 673932749 /nfs/dbraw/zinc/93/27/49/673932749.db2.gz VCIRSMDVTOMXQJ-UHFFFAOYSA-N -2 1 354.315 2.374 20 5 FEBDML O=C([O-])c1cc([N-]S(=O)(=O)Cc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000548246813 673942194 /nfs/dbraw/zinc/94/21/94/673942194.db2.gz LNFONAAXJJQOMI-UHFFFAOYSA-N -2 1 354.315 2.374 20 5 FEBDML CC(C)(CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000818430177 675218945 /nfs/dbraw/zinc/21/89/45/675218945.db2.gz FAODQIMGWXPVTR-UHFFFAOYSA-N -2 1 368.770 2.167 20 5 FEBDML CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC000841773983 680911197 /nfs/dbraw/zinc/91/11/97/680911197.db2.gz AAMWWJUZBGXIHD-SECBINFHSA-N -2 1 371.198 2.289 20 5 FEBDML CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776570605 681408385 /nfs/dbraw/zinc/40/83/85/681408385.db2.gz DLSCLJCTRSDPGI-SECBINFHSA-N -2 1 350.780 2.026 20 5 FEBDML CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000776615992 681417852 /nfs/dbraw/zinc/41/78/52/681417852.db2.gz OECHCXAGFHOBTG-SCZZXKLOSA-N -2 1 364.807 2.416 20 5 FEBDML C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])(CC(=O)[O-])C1 ZINC000776626243 681419124 /nfs/dbraw/zinc/41/91/24/681419124.db2.gz MMBPUAZUNPQCST-BONVTDFDSA-N -2 1 374.390 2.293 20 5 FEBDML O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC000920314355 683333211 /nfs/dbraw/zinc/33/32/11/683333211.db2.gz UXETVIOOXNFJPC-UHFFFAOYSA-N -2 1 362.791 2.314 20 5 FEBDML CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000262436320 328865678 /nfs/dbraw/zinc/86/56/78/328865678.db2.gz GJIHSELEGLBHHG-SECBINFHSA-N -2 1 364.807 2.273 20 5 FEBDML COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000479189036 561183933 /nfs/dbraw/zinc/18/39/33/561183933.db2.gz DFPJQOMHBKMXSF-UHFFFAOYSA-N -2 1 370.314 2.242 20 5 FEBDML O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1F ZINC000326719227 553783076 /nfs/dbraw/zinc/78/30/76/553783076.db2.gz BZEINMQPZVVLKB-UHFFFAOYSA-N -2 1 354.315 2.374 20 5 FEBDML COc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000327741421 553790967 /nfs/dbraw/zinc/79/09/67/553790967.db2.gz KGYPYUMARRXFBR-UHFFFAOYSA-N -2 1 370.314 2.242 20 5 FEBDML COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)[O-] ZINC000392233516 558616486 /nfs/dbraw/zinc/61/64/86/558616486.db2.gz UCYDVWCJRSBTLK-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)ccc1[O-] ZINC000470459773 560982781 /nfs/dbraw/zinc/98/27/81/560982781.db2.gz QZRDALSYZMWNTF-UHFFFAOYSA-N -2 1 356.331 2.450 20 5 FEBDML CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000262436323 600765599 /nfs/dbraw/zinc/76/55/99/600765599.db2.gz GJIHSELEGLBHHG-VIFPVBQESA-N -2 1 364.807 2.273 20 5 FEBDML Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000762442588 605288485 /nfs/dbraw/zinc/28/84/85/605288485.db2.gz DJBHQCKOYSRUPA-UHFFFAOYSA-N -2 1 368.342 2.470 20 5 FEBDML CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000819089975 675259709 /nfs/dbraw/zinc/25/97/09/675259709.db2.gz XQLSWRHENMRVHH-PELKAZGASA-N -2 1 364.807 2.272 20 5 FEBDML CC[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837291898 680582605 /nfs/dbraw/zinc/58/26/05/680582605.db2.gz LUSRLWPMSSXKLC-ZETCQYMHSA-N -2 1 368.770 2.167 20 5 FEBDML Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc([N+](=O)[O-])c1F ZINC000768279256 680942532 /nfs/dbraw/zinc/94/25/32/680942532.db2.gz INXWXMJFXBKUDD-UHFFFAOYSA-N -2 1 370.314 2.247 20 5 FEBDML CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000843296196 680996355 /nfs/dbraw/zinc/99/63/55/680996355.db2.gz LCEHWAKLVOLMQU-LLVKDONJSA-N -2 1 364.807 2.416 20 5 FEBDML O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC1CCCC1 ZINC000776554359 681404624 /nfs/dbraw/zinc/40/46/24/681404624.db2.gz DXIAMAIVKAJIOX-NSHDSACASA-N -2 1 374.390 2.293 20 5 FEBDML CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000776582977 681410588 /nfs/dbraw/zinc/41/05/88/681410588.db2.gz BHHANGCAXCBMHB-ONGXEEELSA-N -2 1 362.379 2.292 20 5 FEBDML O=C(Nc1nc(Br)ccc1[O-])c1cc([O-])cc([N+](=O)[O-])c1 ZINC000783905635 682185562 /nfs/dbraw/zinc/18/55/62/682185562.db2.gz WYVHDWOZPVLUCG-UHFFFAOYSA-N -2 1 354.116 2.416 20 5 FEBDML CC(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000261753634 328817090 /nfs/dbraw/zinc/81/70/90/328817090.db2.gz WSBRRWFJKFJPLM-VIFPVBQESA-N -2 1 350.780 2.026 20 5 FEBDML C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000501212047 561592695 /nfs/dbraw/zinc/59/26/95/561592695.db2.gz YYULABPKVOGGBC-JTQLQIEISA-N -2 1 365.367 2.281 20 5 FEBDML Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000325671511 553777251 /nfs/dbraw/zinc/77/72/51/553777251.db2.gz GMHRCSNSVBCEHV-UHFFFAOYSA-N -2 1 350.352 2.331 20 5 FEBDML COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000436665829 559948109 /nfs/dbraw/zinc/94/81/09/559948109.db2.gz PWHBIPCRQIAJHL-UHFFFAOYSA-N -2 1 366.351 2.196 20 5 FEBDML O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC1CC1 ZINC000593276371 672901454 /nfs/dbraw/zinc/90/14/54/672901454.db2.gz IUYUIRIOKKMVBI-VIFPVBQESA-N -2 1 362.791 2.027 20 5 FEBDML C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000548588345 673976796 /nfs/dbraw/zinc/97/67/96/673976796.db2.gz LZEBDRXGLDFGDX-DTWKUNHWSA-N -2 1 350.418 2.214 20 5 FEBDML CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837286156 680580265 /nfs/dbraw/zinc/58/02/65/680580265.db2.gz HCUYAVUGWDDQHS-SNVBAGLBSA-N -2 1 368.770 2.165 20 5 FEBDML CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837287182 680580283 /nfs/dbraw/zinc/58/02/83/680580283.db2.gz BLOLJHQVSVOOOI-ZETCQYMHSA-N -2 1 368.770 2.022 20 5 FEBDML COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000766579975 680882054 /nfs/dbraw/zinc/88/20/54/680882054.db2.gz IPYBEPOEOUVMFK-UHFFFAOYSA-N -2 1 366.351 2.240 20 5 FEBDML O=C([O-])C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1F ZINC000776473750 681394942 /nfs/dbraw/zinc/39/49/42/681394942.db2.gz BXZPVVORUOMVAW-NSHDSACASA-N -2 1 374.371 2.290 20 5 FEBDML C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000776618124 681418252 /nfs/dbraw/zinc/41/82/52/681418252.db2.gz ZRERUIGLPUYVBM-TVQRCGJNSA-N -2 1 370.408 2.397 20 5 FEBDML COC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C ZINC000485098180 561312515 /nfs/dbraw/zinc/31/25/15/561312515.db2.gz HALXOVIWJMLUKJ-UHFFFAOYSA-N -2 1 366.351 2.196 20 5 FEBDML CSc1nc(C)c(CCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(=O)[n-]1 ZINC000270427486 550271730 /nfs/dbraw/zinc/27/17/30/550271730.db2.gz URAXRBPMVAYTMB-UHFFFAOYSA-N -2 1 364.383 2.398 20 5 FEBDML Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])cc1 ZINC000738569535 600171768 /nfs/dbraw/zinc/17/17/68/600171768.db2.gz HPMXPRJYZPPFOJ-NSHDSACASA-N -2 1 370.408 2.111 20 5 FEBDML CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000828672070 601478832 /nfs/dbraw/zinc/47/88/32/601478832.db2.gz LPLNGVVIDZTRBX-LBPRGKRZSA-N -2 1 350.780 2.170 20 5 FEBDML CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000828672614 601478888 /nfs/dbraw/zinc/47/88/88/601478888.db2.gz UHOLTWVNLNVDQO-LBPRGKRZSA-N -2 1 350.780 2.170 20 5 FEBDML C[C@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-] ZINC000833571948 605246734 /nfs/dbraw/zinc/24/67/34/605246734.db2.gz QIPHBRWLMJKBIX-XPTSAGLGSA-N -2 1 360.363 2.046 20 5 FEBDML CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[nH]n1 ZINC000610769886 675995533 /nfs/dbraw/zinc/99/55/33/675995533.db2.gz HTICXDHBHFELAE-UHFFFAOYSA-N -2 1 368.371 2.114 20 5 FEBDML C[C@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])CC(F)(F)F ZINC000593312496 672907351 /nfs/dbraw/zinc/90/73/51/672907351.db2.gz OYVSYAPLQXIQON-ZETCQYMHSA-N -2 1 370.305 2.160 20 5 FEBDML O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC1 ZINC000841774943 680911391 /nfs/dbraw/zinc/91/13/91/680911391.db2.gz PENUQHUNIQVFEJ-UHFFFAOYSA-N -2 1 366.754 2.063 20 5 FEBDML CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC(=O)[O-] ZINC000776641260 681421519 /nfs/dbraw/zinc/42/15/19/681421519.db2.gz OSJGMTNJMLAKFP-SECBINFHSA-N -2 1 362.379 2.149 20 5 FEBDML CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000036318603 539989183 /nfs/dbraw/zinc/98/91/83/539989183.db2.gz UBPJYGGREIOAKN-UHFFFAOYSA-N -2 1 366.351 2.278 20 5 FEBDML CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000262439165 328865985 /nfs/dbraw/zinc/86/59/85/328865985.db2.gz HDJKNRTYCMSEBK-VIFPVBQESA-N -2 1 350.780 2.170 20 5 FEBDML C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000274999369 330000815 /nfs/dbraw/zinc/00/08/15/330000815.db2.gz NVXHUPOSCQIWAO-QMMMGPOBSA-N -2 1 350.780 2.170 20 5 FEBDML COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC000484536057 561299391 /nfs/dbraw/zinc/29/93/91/561299391.db2.gz FOJQSWIYPDNPIZ-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML 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ZINC000603985577 675802628 /nfs/dbraw/zinc/80/26/28/675802628.db2.gz UZCVNUMWAGXWGA-UHFFFAOYSA-N -2 1 360.294 2.388 20 5 FEBDML CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837286119 680580379 /nfs/dbraw/zinc/58/03/79/680580379.db2.gz GMRLUGGVAISIQR-SECBINFHSA-N -2 1 368.770 2.309 20 5 FEBDML Cc1cccc([C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000776500360 681396872 /nfs/dbraw/zinc/39/68/72/681396872.db2.gz NSCNUNIEOGVNBX-GFCCVEGCSA-N -2 1 356.381 2.069 20 5 FEBDML CC(C)(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000818431810 675219196 /nfs/dbraw/zinc/21/91/96/675219196.db2.gz YRMVGPLWGORXLH-UHFFFAOYSA-N -2 1 350.780 2.027 20 5 FEBDML C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000274957004 550567658 /nfs/dbraw/zinc/56/76/58/550567658.db2.gz IOXIMWQJCGYUDJ-QMMMGPOBSA-N -2 1 350.780 2.170 20 5 FEBDML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000729665691 673243122 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CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000776616001 681417910 /nfs/dbraw/zinc/41/79/10/681417910.db2.gz OECHCXAGFHOBTG-WPRPVWTQSA-N -2 1 364.807 2.416 20 5 FEBDML Cc1cccc([C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])c1C ZINC000777909595 681542754 /nfs/dbraw/zinc/54/27/54/681542754.db2.gz AACCEOUMBAYMGV-ZDUSSCGKSA-N -2 1 370.408 2.377 20 5 FEBDML Cc1cccc([C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])c1C ZINC000777909591 681542844 /nfs/dbraw/zinc/54/28/44/681542844.db2.gz AACCEOUMBAYMGV-CYBMUJFWSA-N -2 1 370.408 2.377 20 5 FEBDML O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000504696072 561661345 /nfs/dbraw/zinc/66/13/45/561661345.db2.gz VOXYPYGDHCRUPA-UHFFFAOYSA-N -2 1 366.351 2.249 20 5 FEBDML COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000327258775 553787187 /nfs/dbraw/zinc/78/71/87/553787187.db2.gz BIACVZGIXCMWOK-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML 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ZINC000442835048 560059245 /nfs/dbraw/zinc/05/92/45/560059245.db2.gz CWVMHHSSFOPBAE-UHFFFAOYSA-N -2 1 354.340 2.124 20 5 FEBDML COc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F ZINC000469900170 560968394 /nfs/dbraw/zinc/96/83/94/560968394.db2.gz MJZHQELOOLFCCF-UHFFFAOYSA-N -2 1 370.314 2.242 20 5 FEBDML O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000530473514 562412559 /nfs/dbraw/zinc/41/25/59/562412559.db2.gz LKCQPRVUTYSBMB-JTQLQIEISA-N -2 1 362.791 2.170 20 5 FEBDML Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000534803066 562542809 /nfs/dbraw/zinc/54/28/09/562542809.db2.gz KXVKGESZDSWINO-UHFFFAOYSA-N -2 1 365.367 2.233 20 5 FEBDML COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000739932975 602645589 /nfs/dbraw/zinc/64/55/89/602645589.db2.gz POMXWDIQAIQSTH-UHFFFAOYSA-N -2 1 367.339 2.494 20 5 FEBDML C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000547887056 673897744 /nfs/dbraw/zinc/89/77/44/673897744.db2.gz MFUNWCYSXFBYNC-MRVPVSSYSA-N -2 1 350.780 2.027 20 5 FEBDML CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837291897 680582681 /nfs/dbraw/zinc/58/26/81/680582681.db2.gz LUSRLWPMSSXKLC-SSDOTTSWSA-N -2 1 368.770 2.167 20 5 FEBDML Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000324189418 553771461 /nfs/dbraw/zinc/77/14/61/553771461.db2.gz QXYJVFFPVJLBFC-UHFFFAOYSA-N -2 1 350.352 2.331 20 5 FEBDML O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000514715242 561975633 /nfs/dbraw/zinc/97/56/33/561975633.db2.gz ADELQRLKUNSAFH-VHSXEESVSA-N -2 1 362.429 2.358 20 5 FEBDML COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC000392988850 558619946 /nfs/dbraw/zinc/61/99/46/558619946.db2.gz AGNJMCLJEPGGSJ-UHFFFAOYSA-N -2 1 370.314 2.242 20 5 FEBDML Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1 ZINC000738479391 600301219 /nfs/dbraw/zinc/30/12/19/600301219.db2.gz ONHRACKXHKTFDX-UHFFFAOYSA-N -2 1 365.367 2.472 20 5 FEBDML CCC(CC)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000828849098 600791569 /nfs/dbraw/zinc/79/15/69/600791569.db2.gz JWRSLWZXMAHIOM-UHFFFAOYSA-N -2 1 350.780 2.170 20 5 FEBDML Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000777935889 605289091 /nfs/dbraw/zinc/28/90/91/605289091.db2.gz VPGVLPBPFLXNNC-UHFFFAOYSA-N -2 1 368.342 2.470 20 5 FEBDML O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000548683443 673986530 /nfs/dbraw/zinc/98/65/30/673986530.db2.gz UZQFFZUASBVDSD-NSHDSACASA-N -2 1 370.408 2.021 20 5 FEBDML CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000776615463 681417621 /nfs/dbraw/zinc/41/76/21/681417621.db2.gz LWKGYTBKJSDOPL-SCZZXKLOSA-N -2 1 364.807 2.416 20 5 FEBDML Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000916105634 685521349 /nfs/dbraw/zinc/52/13/49/685521349.db2.gz UNKPUAIOELYKFP-UHFFFAOYSA-N -2 1 353.312 2.318 20 5 FEBDML O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc([N+](=O)[O-])c1 ZINC000485215823 561314995 /nfs/dbraw/zinc/31/49/95/561314995.db2.gz XACMSMOVXOIWFO-UHFFFAOYSA-N -2 1 364.335 2.029 20 5 FEBDML CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000296864176 553222330 /nfs/dbraw/zinc/22/23/30/553222330.db2.gz DLGNRJFQLBTPLS-MRVPVSSYSA-N -2 1 350.780 2.170 20 5 FEBDML O=C([O-])c1c([N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)cccc1[N+](=O)[O-] ZINC000297047296 553246855 /nfs/dbraw/zinc/24/68/55/553246855.db2.gz VEJGOSHXFRNKPV-QMMMGPOBSA-N -2 1 364.326 2.470 20 5 FEBDML CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000261646266 601257785 /nfs/dbraw/zinc/25/77/85/601257785.db2.gz GZJGOMZVKIFKTP-UHFFFAOYSA-N -2 1 350.780 2.170 20 5 FEBDML COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1F ZINC000558863171 674518528 /nfs/dbraw/zinc/51/85/28/674518528.db2.gz ZDRBMGJBZZYIRT-UHFFFAOYSA-N -2 1 370.314 2.242 20 5 FEBDML Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000611226500 676026464 /nfs/dbraw/zinc/02/64/64/676026464.db2.gz ABYVYUXDUYQEOS-UHFFFAOYSA-N -2 1 354.388 2.430 20 5 FEBDML O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000548262485 673944379 /nfs/dbraw/zinc/94/43/79/673944379.db2.gz LYXMKJFCQVLUJV-NSHDSACASA-N -2 1 370.408 2.193 20 5 FEBDML Cc1cccc([C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000776500362 681396736 /nfs/dbraw/zinc/39/67/36/681396736.db2.gz NSCNUNIEOGVNBX-LBPRGKRZSA-N -2 1 356.381 2.069 20 5 FEBDML Cc1ccc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000776502061 681397239 /nfs/dbraw/zinc/39/72/39/681397239.db2.gz ZZMGKGZPVRVHJB-CYBMUJFWSA-N -2 1 368.342 2.147 20 5 FEBDML COC(=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000028249353 539829025 /nfs/dbraw/zinc/82/90/25/539829025.db2.gz MLPFFNXEYMWXKN-UHFFFAOYSA-N -2 1 366.351 2.196 20 5 FEBDML COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1[N+](=O)[O-] ZINC000327982709 553792441 /nfs/dbraw/zinc/79/24/41/553792441.db2.gz ZCCXDGJSLIBQOY-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML Cc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000392202819 558616506 /nfs/dbraw/zinc/61/65/06/558616506.db2.gz FICCGGZAQXXNEU-UHFFFAOYSA-N -2 1 350.352 2.331 20 5 FEBDML Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000392217151 558616539 /nfs/dbraw/zinc/61/65/39/558616539.db2.gz BFUOPHLJZGQSKI-UHFFFAOYSA-N -2 1 366.351 2.416 20 5 FEBDML COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC000393139744 558620454 /nfs/dbraw/zinc/62/04/54/558620454.db2.gz XFGDXHZZRBBBFU-UHFFFAOYSA-N -2 1 370.314 2.242 20 5 FEBDML CCC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000736959658 599725385 /nfs/dbraw/zinc/72/53/85/599725385.db2.gz SBMHAPWLZRVFCO-LBPRGKRZSA-N -2 1 350.780 2.170 20 5 FEBDML O=C([O-])CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000739776167 600628871 /nfs/dbraw/zinc/62/88/71/600628871.db2.gz DKJWSYHLPXQFML-UHFFFAOYSA-N -2 1 356.747 2.369 20 5 FEBDML CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000571258238 670843166 /nfs/dbraw/zinc/84/31/66/670843166.db2.gz KZQAABWFAKYMAT-QMMMGPOBSA-N -2 1 350.418 2.214 20 5 FEBDML COc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000582995925 672053019 /nfs/dbraw/zinc/05/30/19/672053019.db2.gz HEVHFSOZJJUXFK-UHFFFAOYSA-N -2 1 366.351 2.031 20 5 FEBDML O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCC1 ZINC000596025806 673350168 /nfs/dbraw/zinc/35/01/68/673350168.db2.gz AHPUSTFLJSPNSA-SECBINFHSA-N -2 1 362.791 2.027 20 5 FEBDML CC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000548538353 673967697 /nfs/dbraw/zinc/96/76/97/673967697.db2.gz WYQVFHFHWIXLNA-JTQLQIEISA-N -2 1 350.780 2.026 20 5 FEBDML O=C([O-])c1cc([N-]S(=O)(=O)Cc2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000548579851 673975755 /nfs/dbraw/zinc/97/57/55/673975755.db2.gz KYZQTYKZFKRRAR-UHFFFAOYSA-N -2 1 354.315 2.374 20 5 FEBDML CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776570713 681408417 /nfs/dbraw/zinc/40/84/17/681408417.db2.gz GXKDVQVEZXHOQE-LLVKDONJSA-N -2 1 364.807 2.416 20 5 FEBDML O=C([O-])C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000776609921 681416084 /nfs/dbraw/zinc/41/60/84/681416084.db2.gz DHOMLHUFRDSBNL-LLVKDONJSA-N -2 1 370.408 2.021 20 5 FEBDML CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(=O)[O-] ZINC000776628856 681420098 /nfs/dbraw/zinc/42/00/98/681420098.db2.gz YDJHUYQQFPZYTF-QMMMGPOBSA-N -2 1 350.780 2.027 20 5 FEBDML Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000005234580 539406404 /nfs/dbraw/zinc/40/64/04/539406404.db2.gz LUHWLQNRNKRCSN-UHFFFAOYSA-N -2 1 352.324 2.108 20 5 FEBDML COc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OC)c1 ZINC000021363396 539683006 /nfs/dbraw/zinc/68/30/06/539683006.db2.gz HSQOIPGDBAHUCW-UHFFFAOYSA-N -2 1 354.340 2.118 20 5 FEBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)ccc1[O-] ZINC000073860081 542008307 /nfs/dbraw/zinc/00/83/07/542008307.db2.gz AXTNLHMUWSYNFH-UHFFFAOYSA-N -2 1 360.351 2.287 20 5 FEBDML COc1c(F)cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1[N+](=O)[O-] ZINC000488258575 561386911 /nfs/dbraw/zinc/38/69/11/561386911.db2.gz YPBPRGIWLOLDHB-UHFFFAOYSA-N -2 1 360.294 2.388 20 5 FEBDML O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000504524217 561659231 /nfs/dbraw/zinc/65/92/31/561659231.db2.gz NAUUDYQZSCXOIK-UHFFFAOYSA-N -2 1 366.351 2.249 20 5 FEBDML CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000736959650 599725626 /nfs/dbraw/zinc/72/56/26/599725626.db2.gz SBMHAPWLZRVFCO-GFCCVEGCSA-N -2 1 350.780 2.170 20 5 FEBDML O=C([O-])c1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000612428881 601994229 /nfs/dbraw/zinc/99/42/29/601994229.db2.gz RPWRGLKSUWVDBH-UHFFFAOYSA-N -2 1 370.770 2.425 20 5 FEBDML CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])[nH]n1 ZINC000826909726 602211705 /nfs/dbraw/zinc/21/17/05/602211705.db2.gz HNIGFFNDRSDRES-UHFFFAOYSA-N -2 1 368.371 2.015 20 5 FEBDML C[C@@H]([C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000574824928 671279828 /nfs/dbraw/zinc/27/98/28/671279828.db2.gz YPUGMGTWKWDYAE-HQJQHLMTSA-N -2 1 362.791 2.026 20 5 FEBDML O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCC1 ZINC000596025807 673350156 /nfs/dbraw/zinc/35/01/56/673350156.db2.gz AHPUSTFLJSPNSA-VIFPVBQESA-N -2 1 362.791 2.027 20 5 FEBDML O=C([O-])CCCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000841777735 680911572 /nfs/dbraw/zinc/91/15/72/680911572.db2.gz WHNDELLXXZEJSN-UHFFFAOYSA-N -2 1 368.770 2.311 20 5 FEBDML CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000776582975 681410810 /nfs/dbraw/zinc/41/08/10/681410810.db2.gz BHHANGCAXCBMHB-MWLCHTKSSA-N -2 1 362.379 2.292 20 5 FEBDML C[C@@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000776618122 681418290 /nfs/dbraw/zinc/41/82/90/681418290.db2.gz ZRERUIGLPUYVBM-NOZJJQNGSA-N -2 1 370.408 2.397 20 5 FEBDML COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc(OC)c1 ZINC000508221750 561755736 /nfs/dbraw/zinc/75/57/36/561755736.db2.gz SCYCLHGJOYPTLE-UHFFFAOYSA-N -2 1 368.367 2.427 20 5 FEBDML CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000736256671 600590177 /nfs/dbraw/zinc/59/01/77/600590177.db2.gz OEPGBAHWSMJNPP-SNVBAGLBSA-N -2 1 350.780 2.026 20 5 FEBDML CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000261753631 672902743 /nfs/dbraw/zinc/90/27/43/672902743.db2.gz WSBRRWFJKFJPLM-SECBINFHSA-N -2 1 350.780 2.026 20 5 FEBDML CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000548227307 673938174 /nfs/dbraw/zinc/93/81/74/673938174.db2.gz LEMPLDRTSIJQGR-SECBINFHSA-N -2 1 364.807 2.416 20 5 FEBDML 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ADELQRLKUNSAFH-UWVGGRQHSA-N -2 1 362.429 2.358 20 5 FEBDML COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC000432191782 559853790 /nfs/dbraw/zinc/85/37/90/559853790.db2.gz KJQJRJBZNQPCSL-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML CC(C)C[C@](C)(CNC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000738803956 603242612 /nfs/dbraw/zinc/24/26/12/603242612.db2.gz DSRVCYNJEDCNAK-GFCCVEGCSA-N -2 1 365.433 2.007 20 5 FEBDML Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000832915061 604265662 /nfs/dbraw/zinc/26/56/62/604265662.db2.gz CHQORNGEJFOUNF-UHFFFAOYSA-N -2 1 374.305 2.103 20 5 FEBDML CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[nH]n1 ZINC000833450199 605326460 /nfs/dbraw/zinc/32/64/60/605326460.db2.gz JHZGBUOQSZUCGW-UHFFFAOYSA-N -2 1 368.371 2.114 20 5 FEBDML Cc1cc([N-]c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000826271392 609587808 /nfs/dbraw/zinc/58/78/08/609587808.db2.gz PGYCNZDVNOYGQE-VIFPVBQESA-N -2 1 355.362 2.389 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ZINC000837287844 680580641 /nfs/dbraw/zinc/58/06/41/680580641.db2.gz JKFNKIUXYXAHSA-UHFFFAOYSA-N -2 1 368.770 2.167 20 5 FEBDML C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846771793 681287493 /nfs/dbraw/zinc/28/74/93/681287493.db2.gz MDJNZRPJOWGOFR-KXUCPTDWSA-N -2 1 374.390 2.148 20 5 FEBDML O=C([O-])c1c([N-]S(=O)(=O)Cc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000776562500 681405821 /nfs/dbraw/zinc/40/58/21/681405821.db2.gz XWKXLXDIHKAASH-UHFFFAOYSA-N -2 1 371.758 2.283 20 5 FEBDML CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(=O)[O-] ZINC000776628855 681419921 /nfs/dbraw/zinc/41/99/21/681419921.db2.gz YDJHUYQQFPZYTF-MRVPVSSYSA-N -2 1 350.780 2.027 20 5 FEBDML COc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)ccc1[N+](=O)[O-] ZINC000427294076 559752449 /nfs/dbraw/zinc/75/24/49/559752449.db2.gz GPQGJIDXKVABPC-UHFFFAOYSA-N -2 1 370.314 2.242 20 5 FEBDML O=C([O-])CCc1nnc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000739777253 600632406 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AYPPVLYLRUTDKN-UHFFFAOYSA-N -2 1 370.314 2.242 20 5 FEBDML O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000547883816 599811939 /nfs/dbraw/zinc/81/19/39/599811939.db2.gz LIGKNFHPNTYYSY-LBPRGKRZSA-N -2 1 370.770 2.352 20 5 FEBDML COCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000548196449 605041496 /nfs/dbraw/zinc/04/14/96/605041496.db2.gz DJZQQUGMJKVFDU-UHFFFAOYSA-N -2 1 366.351 2.240 20 5 FEBDML C[C@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC000833571945 605246594 /nfs/dbraw/zinc/24/65/94/605246594.db2.gz QIPHBRWLMJKBIX-OTYXRUKQSA-N -2 1 360.363 2.046 20 5 FEBDML CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000565770549 675150181 /nfs/dbraw/zinc/15/01/81/675150181.db2.gz YIUJFUDAHCQBAP-KWQFWETISA-N -2 1 364.807 2.272 20 5 FEBDML CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000609819282 675937441 /nfs/dbraw/zinc/93/74/41/675937441.db2.gz GLNBLOPBYRXAIE-UHFFFAOYSA-N -2 1 365.367 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ZINC000603975819 675802775 /nfs/dbraw/zinc/80/27/75/675802775.db2.gz RWFWNUJJCONPNQ-UHFFFAOYSA-N -2 1 360.351 2.287 20 5 FEBDML C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000837289902 680581624 /nfs/dbraw/zinc/58/16/24/680581624.db2.gz ITZSTHGESYTRAZ-ZETCQYMHSA-N -2 1 368.770 2.167 20 5 FEBDML CC[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000297140933 330196155 /nfs/dbraw/zinc/19/61/55/330196155.db2.gz IBYWIACOBMOTNW-MRVPVSSYSA-N -2 1 350.780 2.027 20 5 FEBDML COc1c(F)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000479192642 561184039 /nfs/dbraw/zinc/18/40/39/561184039.db2.gz VYCGYJCCVFHVQB-UHFFFAOYSA-N -2 1 370.314 2.242 20 5 FEBDML CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(=O)[O-] ZINC000274976847 550568759 /nfs/dbraw/zinc/56/87/59/550568759.db2.gz JFZVQARKZPDUBN-UHFFFAOYSA-N -2 1 350.780 2.027 20 5 FEBDML Cc1c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000325054976 553774913 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CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC000569329433 670544328 /nfs/dbraw/zinc/54/43/28/670544328.db2.gz YSEDPXWCWSPTHJ-UHFFFAOYSA-N -2 1 370.305 2.160 20 5 FEBDML Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1O ZINC000612997819 676105906 /nfs/dbraw/zinc/10/59/06/676105906.db2.gz GBMGHZUFGOFZIV-UHFFFAOYSA-N -2 1 366.351 2.416 20 5 FEBDML CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000600657441 673786814 /nfs/dbraw/zinc/78/68/14/673786814.db2.gz KFBZXLKWZYKVTN-LBPRGKRZSA-N -2 1 374.415 2.404 20 5 FEBDML O=C([O-])C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000776445620 681393215 /nfs/dbraw/zinc/39/32/15/681393215.db2.gz NECDLOPMSYHISN-VIFPVBQESA-N -2 1 362.410 2.212 20 5 FEBDML CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000776615987 681417859 /nfs/dbraw/zinc/41/78/59/681417859.db2.gz OECHCXAGFHOBTG-PSASIEDQSA-N -2 1 364.807 2.416 20 5 FEBDML 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PLVPQCYANBTUSU-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000471113370 560998607 /nfs/dbraw/zinc/99/86/07/560998607.db2.gz RQRHZXTXRUDXJK-UHFFFAOYSA-N -2 1 358.278 2.372 20 5 FEBDML O=C([O-])c1cccn2cc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)nc12 ZINC000833353744 604265686 /nfs/dbraw/zinc/26/56/86/604265686.db2.gz PQDWNANBFCUMKH-UHFFFAOYSA-N -2 1 357.278 2.003 20 5 FEBDML CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000565770548 675150131 /nfs/dbraw/zinc/15/01/31/675150131.db2.gz YIUJFUDAHCQBAP-KCJUWKMLSA-N -2 1 364.807 2.272 20 5 FEBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)ccc1[O-] ZINC000590597755 672595199 /nfs/dbraw/zinc/59/51/99/672595199.db2.gz PTLLIYCHKVXHIZ-UHFFFAOYSA-N -2 1 364.335 2.340 20 5 FEBDML CC(C)(CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000818431210 675219180 /nfs/dbraw/zinc/21/91/80/675219180.db2.gz PWEVUZOBODUHDF-UHFFFAOYSA-N -2 1 368.770 2.167 20 5 FEBDML CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000819089977 675259689 /nfs/dbraw/zinc/25/96/89/675259689.db2.gz XQLSWRHENMRVHH-PRHODGIISA-N -2 1 364.807 2.272 20 5 FEBDML O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000837297537 680584123 /nfs/dbraw/zinc/58/41/23/680584123.db2.gz RREYOJKVWBJCAV-PSASIEDQSA-N -2 1 362.791 2.027 20 5 FEBDML CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000776615461 681417804 /nfs/dbraw/zinc/41/78/04/681417804.db2.gz LWKGYTBKJSDOPL-PSASIEDQSA-N -2 1 364.807 2.416 20 5 FEBDML O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000297298906 553275164 /nfs/dbraw/zinc/27/51/64/553275164.db2.gz VILTXISWPSHWIC-ZYHUDNBSSA-N -2 1 374.390 2.436 20 5 FEBDML O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000297298900 553275288 /nfs/dbraw/zinc/27/52/88/553275288.db2.gz VILTXISWPSHWIC-PWSUYJOCSA-N -2 1 374.390 2.436 20 5 FEBDML O=C([O-])c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000534784779 562542380 /nfs/dbraw/zinc/54/23/80/562542380.db2.gz LWBHFYWVBNRVCZ-UHFFFAOYSA-N -2 1 370.770 2.425 20 5 FEBDML COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000833733282 605167941 /nfs/dbraw/zinc/16/79/41/605167941.db2.gz LDQNIFPYTCPOSJ-UHFFFAOYSA-N -2 1 370.314 2.242 20 5 FEBDML O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC1CC1 ZINC000844824428 681085880 /nfs/dbraw/zinc/08/58/80/681085880.db2.gz FYYKHZBZVUFEAO-SECBINFHSA-N -2 1 362.791 2.027 20 5 FEBDML O=C([O-])C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000776609922 681416008 /nfs/dbraw/zinc/41/60/08/681416008.db2.gz DHOMLHUFRDSBNL-NSHDSACASA-N -2 1 370.408 2.021 20 5 FEBDML C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000777909496 681542719 /nfs/dbraw/zinc/54/27/19/681542719.db2.gz ZDKQHKGNRMHJLO-MRVPVSSYSA-N -2 1 364.807 2.416 20 5 FEBDML O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000739520621 599724553 /nfs/dbraw/zinc/72/45/53/599724553.db2.gz WTNBQHOQURZIKY-UHFFFAOYSA-N -2 1 362.791 2.314 20 5 FEBDML O=C([O-])CCc1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000739778588 600204899 /nfs/dbraw/zinc/20/48/99/600204899.db2.gz VUQIWAOMRXNXBN-UHFFFAOYSA-N -2 1 356.747 2.369 20 5 FEBDML CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000263547932 672935824 /nfs/dbraw/zinc/93/58/24/672935824.db2.gz IMKXPCRVHBNTCU-UHFFFAOYSA-N -2 1 368.770 2.309 20 5 FEBDML COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000547868516 673894704 /nfs/dbraw/zinc/89/47/04/673894704.db2.gz LLRLETIMEVMJKQ-UHFFFAOYSA-N -2 1 366.351 2.244 20 5 FEBDML CC(C)(C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000548227308 673938131 /nfs/dbraw/zinc/93/81/31/673938131.db2.gz LEMPLDRTSIJQGR-VIFPVBQESA-N -2 1 364.807 2.416 20 5 FEBDML Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)[O-])c1 ZINC000776500727 681397000 /nfs/dbraw/zinc/39/70/00/681397000.db2.gz QJRLDKNWLLLJLN-CYBMUJFWSA-N -2 1 368.342 2.147 20 5 FEBDML CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000776626345 681419555 /nfs/dbraw/zinc/41/95/55/681419555.db2.gz ABADQFYAKUPIFK-LBPRGKRZSA-N -2 1 350.780 2.027 20 5 FEBDML O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000776630933 681420090 /nfs/dbraw/zinc/42/00/90/681420090.db2.gz CCGJLLNELVVWQP-LLVKDONJSA-N -2 1 360.363 2.046 20 5 FEBDML CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000261690827 601258204 /nfs/dbraw/zinc/25/82/04/601258204.db2.gz MVWOUWFJCRPDFZ-UHFFFAOYSA-N -2 1 350.780 2.170 20 5 FEBDML Nc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000833090646 601319144 /nfs/dbraw/zinc/31/91/44/601319144.db2.gz AOIBOFGTTYKBOK-BAQGIRSFSA-N -2 1 363.351 2.076 20 5 FEBDML Cc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000740147941 602655488 /nfs/dbraw/zinc/65/54/88/602655488.db2.gz QQAXFIAEECEWJO-UHFFFAOYSA-N -2 1 365.367 2.472 20 5 FEBDML CC1(C)CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)(C(=O)[O-])CC1 ZINC000542861759 673611582 /nfs/dbraw/zinc/61/15/82/673611582.db2.gz VWVRCCMZYWMBNI-UHFFFAOYSA-N -2 1 362.429 2.358 20 5 FEBDML CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000547932158 673906144 /nfs/dbraw/zinc/90/61/44/673906144.db2.gz YXIYQHKLOGUIOJ-QMMMGPOBSA-N -2 1 350.418 2.214 20 5 FEBDML CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837286154 680580363 /nfs/dbraw/zinc/58/03/63/680580363.db2.gz HCUYAVUGWDDQHS-JTQLQIEISA-N -2 1 368.770 2.165 20 5 FEBDML C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000837289901 680581688 /nfs/dbraw/zinc/58/16/88/680581688.db2.gz ITZSTHGESYTRAZ-SSDOTTSWSA-N -2 1 368.770 2.167 20 5 FEBDML COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000485208704 561314851 /nfs/dbraw/zinc/31/48/51/561314851.db2.gz NUTJLCSHFRWTCU-UHFFFAOYSA-N -2 1 352.324 2.102 20 5 FEBDML Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CNC(=O)[O-])c1 ZINC000740161448 602655681 /nfs/dbraw/zinc/65/56/81/602655681.db2.gz WYXMDYSTUXOGMI-UHFFFAOYSA-N -2 1 365.367 2.472 20 5 FEBDML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000751267574 680164751 /nfs/dbraw/zinc/16/47/51/680164751.db2.gz KJFGDYLJJVRASG-UHFFFAOYSA-N -2 1 369.330 2.124 20 5 FEBDML C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837290410 680582062 /nfs/dbraw/zinc/58/20/62/680582062.db2.gz VFGCDRCCFIMCSW-ZETCQYMHSA-N -2 1 368.770 2.309 20 5 FEBDML CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000843296197 680996289 /nfs/dbraw/zinc/99/62/89/680996289.db2.gz LCEHWAKLVOLMQU-NSHDSACASA-N -2 1 364.807 2.416 20 5 FEBDML O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000776541939 681401850 /nfs/dbraw/zinc/40/18/50/681401850.db2.gz MFZUEPIMYYQSKW-UHFFFAOYSA-N -2 1 362.791 2.172 20 5 FEBDML CC(C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000261733616 328815639 /nfs/dbraw/zinc/81/56/39/328815639.db2.gz SUGLUGZWJBGPAV-SECBINFHSA-N -2 1 350.780 2.026 20 5 FEBDML O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000327540578 553789632 /nfs/dbraw/zinc/78/96/32/553789632.db2.gz BQOAGTRNFIXVKE-UHFFFAOYSA-N -2 1 364.335 2.029 20 5 FEBDML COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1 ZINC000447342761 560160736 /nfs/dbraw/zinc/16/07/36/560160736.db2.gz VCXUPVICFATYDC-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML O=C([O-])c1c([N-]S(=O)(=O)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000548549001 673969682 /nfs/dbraw/zinc/96/96/82/673969682.db2.gz MGFXRVACOPPMJR-UHFFFAOYSA-N -2 1 354.315 2.374 20 5 FEBDML O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC1CCCC1 ZINC000776554358 681404597 /nfs/dbraw/zinc/40/45/97/681404597.db2.gz DXIAMAIVKAJIOX-LLVKDONJSA-N -2 1 374.390 2.293 20 5 FEBDML CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000776612759 681416871 /nfs/dbraw/zinc/41/68/71/681416871.db2.gz AQSFOIXIDZFTAA-SNVBAGLBSA-N -2 1 362.379 2.292 20 5 FEBDML CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000776615995 681417765 /nfs/dbraw/zinc/41/77/65/681417765.db2.gz OECHCXAGFHOBTG-WCBMZHEXSA-N -2 1 364.807 2.416 20 5 FEBDML CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000552338025 674202933 /nfs/dbraw/zinc/20/29/33/674202933.db2.gz NFAUROZQAQQULB-UHFFFAOYSA-N -2 1 365.367 2.314 20 5 FEBDML CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000477614855 561149395 /nfs/dbraw/zinc/14/93/95/561149395.db2.gz IGVHJBPZXJHZOK-UHFFFAOYSA-N -2 1 369.330 2.063 20 5 FEBDML COCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000485212771 561314964 /nfs/dbraw/zinc/31/49/64/561314964.db2.gz WLYKNCKFYDRRMF-UHFFFAOYSA-N -2 1 366.351 2.240 20 5 FEBDML C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000501220228 561592888 /nfs/dbraw/zinc/59/28/88/561592888.db2.gz YYULABPKVOGGBC-SNVBAGLBSA-N -2 1 365.367 2.281 20 5 FEBDML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(F)c1 ZINC000325006503 553774461 /nfs/dbraw/zinc/77/44/61/553774461.db2.gz DFSDHFRGKOETAK-UHFFFAOYSA-N -2 1 358.278 2.372 20 5 FEBDML Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000327307859 553787720 /nfs/dbraw/zinc/78/77/20/553787720.db2.gz TUTHIGOZHVWYGT-UHFFFAOYSA-N -2 1 366.351 2.416 20 5 FEBDML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1[N+](=O)[O-] ZINC000392211485 558616477 /nfs/dbraw/zinc/61/64/77/558616477.db2.gz JFKYOMLIPARFFX-UHFFFAOYSA-N -2 1 366.351 2.416 20 5 FEBDML Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1 ZINC000738305815 600302574 /nfs/dbraw/zinc/30/25/74/600302574.db2.gz QVNULWZRDGNTRS-UHFFFAOYSA-N -2 1 365.367 2.472 20 5 FEBDML Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000739203737 600887503 /nfs/dbraw/zinc/88/75/03/600887503.db2.gz RKXHPVGJNNVQSY-UHFFFAOYSA-N -2 1 371.758 2.329 20 5 FEBDML CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000565770550 675150165 /nfs/dbraw/zinc/15/01/65/675150165.db2.gz YIUJFUDAHCQBAP-LDYMZIIASA-N -2 1 364.807 2.272 20 5 FEBDML CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000261692675 672901646 /nfs/dbraw/zinc/90/16/46/672901646.db2.gz NCTHOGIQIYHVIT-XVKPBYJWSA-N -2 1 350.780 2.026 20 5 FEBDML O=C([O-])c1c([N-]S(=O)(=O)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000548223028 673937326 /nfs/dbraw/zinc/93/73/26/673937326.db2.gz APVGPDXEKBYLIC-UHFFFAOYSA-N -2 1 354.315 2.374 20 5 FEBDML CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000603985593 675802604 /nfs/dbraw/zinc/80/26/04/675802604.db2.gz WPPVZLBXIQKNIX-UHFFFAOYSA-N -2 1 353.356 2.283 20 5 FEBDML CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837283300 680579927 /nfs/dbraw/zinc/57/99/27/680579927.db2.gz CAUKNHJSPNZUGD-SECBINFHSA-N -2 1 368.770 2.165 20 5 FEBDML Cc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000776472496 681394983 /nfs/dbraw/zinc/39/49/83/681394983.db2.gz IGJRXEJNLUQVOS-LBPRGKRZSA-N -2 1 370.408 2.459 20 5 FEBDML Cc1cccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000776472495 681395159 /nfs/dbraw/zinc/39/51/59/681395159.db2.gz IGJRXEJNLUQVOS-GFCCVEGCSA-N -2 1 370.408 2.459 20 5 FEBDML O=C([O-])CCCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000776551748 681403661 /nfs/dbraw/zinc/40/36/61/681403661.db2.gz KHZFIJBQGRFARA-UHFFFAOYSA-N -2 1 350.418 2.360 20 5 FEBDML CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776570606 681408464 /nfs/dbraw/zinc/40/84/64/681408464.db2.gz DLSCLJCTRSDPGI-VIFPVBQESA-N -2 1 350.780 2.026 20 5 FEBDML CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000776582973 681410822 /nfs/dbraw/zinc/41/08/22/681410822.db2.gz BHHANGCAXCBMHB-KOLCDFICSA-N -2 1 362.379 2.292 20 5 FEBDML C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000777909499 681542901 /nfs/dbraw/zinc/54/29/01/681542901.db2.gz ZDKQHKGNRMHJLO-QMMMGPOBSA-N -2 1 364.807 2.416 20 5 FEBDML O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000853025325 682365100 /nfs/dbraw/zinc/36/51/00/682365100.db2.gz YHDLPCAZJCVHPA-SNVBAGLBSA-N -2 1 362.791 2.027 20 5 FEBDML O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000324969358 553774335 /nfs/dbraw/zinc/77/43/35/553774335.db2.gz NESDFWHDXUPQHE-UHFFFAOYSA-N -2 1 354.315 2.374 20 5 FEBDML COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000327035246 553785427 /nfs/dbraw/zinc/78/54/27/553785427.db2.gz JFLOVLITIUGOMY-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000327076081 553785963 /nfs/dbraw/zinc/78/59/63/553785963.db2.gz ROEQYJOEGAVCEV-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c([N+](=O)[O-])c1 ZINC000327474270 553789090 /nfs/dbraw/zinc/78/90/90/553789090.db2.gz AIYJLPKZXAYOAX-UHFFFAOYSA-N -2 1 370.314 2.242 20 5 FEBDML COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000393078260 558620448 /nfs/dbraw/zinc/62/04/48/558620448.db2.gz ZCYHJVPLRKKRQL-UHFFFAOYSA-N -2 1 370.314 2.242 20 5 FEBDML Cc1c2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2nn1C ZINC000461339452 560767078 /nfs/dbraw/zinc/76/70/78/560767078.db2.gz KJBPEIGUUQIYPE-UHFFFAOYSA-N -2 1 362.367 2.296 20 5 FEBDML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000471133594 560999037 /nfs/dbraw/zinc/99/90/37/560999037.db2.gz MGIOKVMQSVSUNZ-UHFFFAOYSA-N -2 1 358.278 2.372 20 5 FEBDML CC(C)(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000548578411 600590026 /nfs/dbraw/zinc/59/00/26/600590026.db2.gz WYQVFHFHWIXLNA-SNVBAGLBSA-N -2 1 350.780 2.026 20 5 FEBDML O=C([O-])Nc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c([O-])c1 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DLGNRJFQLBTPLS-QMMMGPOBSA-N -2 1 350.780 2.170 20 5 FEBDML COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000436667788 559948252 /nfs/dbraw/zinc/94/82/52/559948252.db2.gz VENKFCZDRALIEK-UHFFFAOYSA-N -2 1 366.351 2.196 20 5 FEBDML O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000776613420 601992649 /nfs/dbraw/zinc/99/26/49/601992649.db2.gz FCIRBXSEYGDXRR-CMPLNLGQSA-N -2 1 374.390 2.436 20 5 FEBDML CC(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837283302 680579965 /nfs/dbraw/zinc/57/99/65/680579965.db2.gz CAUKNHJSPNZUGD-VIFPVBQESA-N -2 1 368.770 2.165 20 5 FEBDML CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000837287707 680580669 /nfs/dbraw/zinc/58/06/69/680580669.db2.gz HUBJFVCSCWHYKJ-SSDOTTSWSA-N -2 1 368.770 2.167 20 5 FEBDML CC(C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-] ZINC000841774892 680911370 /nfs/dbraw/zinc/91/13/70/680911370.db2.gz YYUQMRXWAKRVTN-JTQLQIEISA-N -2 1 371.198 2.289 20 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CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000263550654 672935857 /nfs/dbraw/zinc/93/58/57/672935857.db2.gz KOKSJSGEVSHABJ-KGFZYKRKSA-N -2 1 368.770 2.165 20 5 FEBDML C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593945235 673014331 /nfs/dbraw/zinc/01/43/31/673014331.db2.gz PFCNUGZLBIYTHN-HRDYMLBCSA-N -2 1 362.429 2.070 20 5 FEBDML C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837290407 680581944 /nfs/dbraw/zinc/58/19/44/680581944.db2.gz VFGCDRCCFIMCSW-SSDOTTSWSA-N -2 1 368.770 2.309 20 5 FEBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3ncon3)c2)ccc1[O-] ZINC000361576789 554925089 /nfs/dbraw/zinc/92/50/89/554925089.db2.gz PYRUEXULXRMSGW-UHFFFAOYSA-N -2 1 362.323 2.151 20 5 FEBDML O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000392093753 558616170 /nfs/dbraw/zinc/61/61/70/558616170.db2.gz HBVYXXSBTOQGAA-UHFFFAOYSA-N -2 1 350.352 2.277 20 5 FEBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)ccc1[O-] ZINC000524019432 562222945 /nfs/dbraw/zinc/22/29/45/562222945.db2.gz MMCXYOPCZVQDJA-UHFFFAOYSA-N -2 1 362.323 2.151 20 5 FEBDML COc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])ccc1F ZINC000527050890 562274744 /nfs/dbraw/zinc/27/47/44/562274744.db2.gz GTFVMJKZZKCAKG-UHFFFAOYSA-N -2 1 370.314 2.242 20 5 FEBDML Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc([N+](=O)[O-])c1F ZINC000821045794 598096197 /nfs/dbraw/zinc/09/61/97/598096197.db2.gz AQYZWCQPLFKSTR-UHFFFAOYSA-N -2 1 368.342 2.470 20 5 FEBDML CC(C)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000262500388 600765494 /nfs/dbraw/zinc/76/54/94/600765494.db2.gz YDBGPZRHHDZVDA-VIFPVBQESA-N -2 1 364.807 2.273 20 5 FEBDML Nc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000833090660 601319189 /nfs/dbraw/zinc/31/91/89/601319189.db2.gz AOIBOFGTTYKBOK-FPYGCLRLSA-N -2 1 363.351 2.076 20 5 FEBDML CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000571258237 670843090 /nfs/dbraw/zinc/84/30/90/670843090.db2.gz KZQAABWFAKYMAT-MRVPVSSYSA-N -2 1 350.418 2.214 20 5 FEBDML C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000548546224 673969370 /nfs/dbraw/zinc/96/93/70/673969370.db2.gz ZVTXCUMEXDXSRB-GWCFXTLKSA-N -2 1 362.791 2.170 20 5 FEBDML CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837290009 680581613 /nfs/dbraw/zinc/58/16/13/680581613.db2.gz KKEAOPCFXGWNQZ-GFCCVEGCSA-N -2 1 368.770 2.167 20 5 FEBDML COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000392703926 558618548 /nfs/dbraw/zinc/61/85/48/558618548.db2.gz QMKCXRADJYLVEA-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML O=C([O-])CCCc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000739710236 600537399 /nfs/dbraw/zinc/53/73/99/600537399.db2.gz FFSBVWOGXHAIQY-UHFFFAOYSA-N -2 1 354.319 2.245 20 5 FEBDML O=C([O-])Nc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000740699966 602841517 /nfs/dbraw/zinc/84/15/17/602841517.db2.gz YYTDNQWMNITSTH-UHFFFAOYSA-N -2 1 360.326 2.232 20 5 FEBDML CC(C)C[C@@](C)(CNC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000738803958 603242608 /nfs/dbraw/zinc/24/26/08/603242608.db2.gz DSRVCYNJEDCNAK-LBPRGKRZSA-N -2 1 365.433 2.007 20 5 FEBDML Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000570327044 670697003 /nfs/dbraw/zinc/69/70/03/670697003.db2.gz FNXHLFHIRJTTST-UHFFFAOYSA-N -2 1 350.352 2.331 20 5 FEBDML O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000748673641 679986629 /nfs/dbraw/zinc/98/66/29/679986629.db2.gz FRMOFFSAMNMYOT-UHFFFAOYSA-N -2 1 372.742 2.453 20 5 FEBDML CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837294170 680583176 /nfs/dbraw/zinc/58/31/76/680583176.db2.gz YYOLVHNEHLDPOY-ZETCQYMHSA-N -2 1 368.770 2.309 20 5 FEBDML CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000846770602 681287604 /nfs/dbraw/zinc/28/76/04/681287604.db2.gz VMJZIDODKNZZSH-ZETCQYMHSA-N -2 1 368.770 2.022 20 5 FEBDML C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])(CC(=O)[O-])C1 ZINC000776626242 681419067 /nfs/dbraw/zinc/41/90/67/681419067.db2.gz MMBPUAZUNPQCST-BMIGLBTASA-N -2 1 374.390 2.293 20 5 FEBDML C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(=O)[O-] ZINC000275076614 330007878 /nfs/dbraw/zinc/00/78/78/330007878.db2.gz XSLZYFLORHZQEL-MRVPVSSYSA-N -2 1 350.780 2.027 20 5 FEBDML Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000327663888 553790722 /nfs/dbraw/zinc/79/07/22/553790722.db2.gz ICCCTSASLOFNNB-UHFFFAOYSA-N -2 1 370.314 2.247 20 5 FEBDML CCC(CC)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000424395247 559662927 /nfs/dbraw/zinc/66/29/27/559662927.db2.gz VADJZEHJSBGYSV-UHFFFAOYSA-N -2 1 364.807 2.418 20 5 FEBDML COc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc(OC)c1C ZINC000431171307 559835419 /nfs/dbraw/zinc/83/54/19/559835419.db2.gz RNXYNRWIFAOSLZ-UHFFFAOYSA-N -2 1 368.367 2.427 20 5 FEBDML COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)c1 ZINC000471125484 560998920 /nfs/dbraw/zinc/99/89/20/560998920.db2.gz QVMOUIPSZVMWLR-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML C[C@@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC000833571950 605246707 /nfs/dbraw/zinc/24/67/07/605246707.db2.gz QIPHBRWLMJKBIX-YMTOWFKASA-N -2 1 360.363 2.046 20 5 FEBDML O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC1CCCC1 ZINC000776550958 681403569 /nfs/dbraw/zinc/40/35/69/681403569.db2.gz DKPWQLXBZWAXNG-JTQLQIEISA-N -2 1 362.429 2.216 20 5 FEBDML CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000297136451 330195548 /nfs/dbraw/zinc/19/55/48/330195548.db2.gz HTSKSBCOCCONEB-MRVPVSSYSA-N -2 1 350.780 2.027 20 5 FEBDML COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC000327270218 553787439 /nfs/dbraw/zinc/78/74/39/553787439.db2.gz RSUOELSDXZSFEQ-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000392144503 558616136 /nfs/dbraw/zinc/61/61/36/558616136.db2.gz UEUOGAKHBRNGMJ-UHFFFAOYSA-N -2 1 354.315 2.374 20 5 FEBDML COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1C(=O)[O-] ZINC000393014630 558619867 /nfs/dbraw/zinc/61/98/67/558619867.db2.gz NWXTVUMGWYINPW-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML CC(C)(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000424385395 559662495 /nfs/dbraw/zinc/66/24/95/559662495.db2.gz CZHKCWBBSGEREX-UHFFFAOYSA-N -2 1 350.780 2.027 20 5 FEBDML C[C@@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-] ZINC000833571943 605246606 /nfs/dbraw/zinc/24/66/06/605246606.db2.gz QIPHBRWLMJKBIX-LKFCYVNXSA-N -2 1 360.363 2.046 20 5 FEBDML CC(C)(C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C(F)(F)F ZINC000578135507 671643641 /nfs/dbraw/zinc/64/36/41/671643641.db2.gz HRFRYVFVNSNJOP-UHFFFAOYSA-N -2 1 370.305 2.160 20 5 FEBDML COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])c(C)c1 ZINC000547870878 673894932 /nfs/dbraw/zinc/89/49/32/673894932.db2.gz WKMNZTTVVQBUQW-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1C ZINC000547890597 673898329 /nfs/dbraw/zinc/89/83/29/673898329.db2.gz OPBJUBSWZDXKQF-UHFFFAOYSA-N -2 1 366.351 2.411 20 5 FEBDML COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000327259925 553787256 /nfs/dbraw/zinc/78/72/56/553787256.db2.gz BNBYBVLBOOVWRF-UHFFFAOYSA-N -2 1 366.351 2.244 20 5 FEBDML O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000739504460 599812462 /nfs/dbraw/zinc/81/24/62/599812462.db2.gz JGCSYJKETHLBSF-ZDUSSCGKSA-N -2 1 370.770 2.352 20 5 FEBDML O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000558686682 674510987 /nfs/dbraw/zinc/51/09/87/674510987.db2.gz YMLGAOMHIOLBQL-SNVBAGLBSA-N -2 1 362.429 2.358 20 5 FEBDML CN(C)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000581703092 671926679 /nfs/dbraw/zinc/92/66/79/671926679.db2.gz JRNQCKWMUMVUTO-UHFFFAOYSA-N -2 1 365.367 2.160 20 5 FEBDML O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000548262484 673944442 /nfs/dbraw/zinc/94/44/42/673944442.db2.gz LYXMKJFCQVLUJV-LLVKDONJSA-N -2 1 370.408 2.193 20 5 FEBDML O=C([O-])CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000841775408 680911421 /nfs/dbraw/zinc/91/14/21/680911421.db2.gz PVCVPJHWGYVAPH-UHFFFAOYSA-N -2 1 357.171 2.045 20 5 FEBDML C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846771795 681287593 /nfs/dbraw/zinc/28/75/93/681287593.db2.gz MDJNZRPJOWGOFR-LPEHRKFASA-N -2 1 374.390 2.148 20 5 FEBDML O=C([O-])C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000776442576 681392865 /nfs/dbraw/zinc/39/28/65/681392865.db2.gz JJYCKXMYGMKIOD-MRVPVSSYSA-N -2 1 362.410 2.212 20 5 FEBDML COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000917752056 685534410 /nfs/dbraw/zinc/53/44/10/685534410.db2.gz 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O=C([O-])CCc1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000833242116 601407967 /nfs/dbraw/zinc/40/79/67/601407967.db2.gz PJDBSNZWRVNYMA-UHFFFAOYSA-N -2 1 356.747 2.369 20 5 FEBDML Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000743250981 673753756 /nfs/dbraw/zinc/75/37/56/673753756.db2.gz MHZCDIIQZWNMOM-UHFFFAOYSA-N -2 1 371.758 2.329 20 5 FEBDML COCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1 ZINC000547870655 673895030 /nfs/dbraw/zinc/89/50/30/673895030.db2.gz JYPSXSAKPTWWEM-UHFFFAOYSA-N -2 1 366.351 2.240 20 5 FEBDML CC(C)(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC(=O)[O-] ZINC000548262254 673944458 /nfs/dbraw/zinc/94/44/58/673944458.db2.gz JPNIUXDEOUHLHM-UHFFFAOYSA-N -2 1 350.418 2.216 20 5 FEBDML O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC1 ZINC000837292606 680582629 /nfs/dbraw/zinc/58/26/29/680582629.db2.gz JPWORQNPJREFQE-UHFFFAOYSA-N -2 1 366.754 2.063 20 5 FEBDML CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-] 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