smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)n2nc(C(=O)[N-]c3cc(Cl)cc([N+](=O)[O-])c3[O-])nc2n1 ZINC000181536267 327734687 /nfs/dbraw/zinc/73/46/87/327734687.db2.gz NQTPLOAQQHPEQF-UHFFFAOYSA-N -2 3 362.733 2.261 20 5 FEBDHL Cc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000507580176 561734055 /nfs/dbraw/zinc/73/40/55/561734055.db2.gz NWXCMLSPXZOWIP-UHFFFAOYSA-N -3 3 352.324 2.108 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([S@@](C)=O)c1 ZINC000508214986 561755552 /nfs/dbraw/zinc/75/55/52/561755552.db2.gz GQMODSMFWQXZAA-HSZRJFAPSA-N -2 3 370.408 2.147 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c1[N+](=O)[O-] ZINC000530526305 562414704 /nfs/dbraw/zinc/41/47/04/562414704.db2.gz DZHUDLIFKRJZSB-LBPRGKRZSA-N -2 3 356.400 2.133 20 5 FEBDHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261983988 601257295 /nfs/dbraw/zinc/25/72/95/601257295.db2.gz RWGNOOFZDGENDE-UHFFFAOYSA-N -2 3 350.780 2.170 20 5 FEBDHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548618987 673980504 /nfs/dbraw/zinc/98/05/04/673980504.db2.gz CKUIOJCTLHOIJB-QMMMGPOBSA-N -2 3 364.807 2.416 20 5 FEBDHL O=c1nc(C=Cc2cc(Cl)c3c(c2)OCCO3)c([N+](=O)[O-])c([O-])[n-]1 ZINC000486023337 561335572 /nfs/dbraw/zinc/33/55/72/561335572.db2.gz AVPWBBPQBGCENC-OWOJBTEDSA-N -2 3 351.702 2.391 20 5 FEBDHL O=C([O-])c1c([N-]S(=O)(=O)CCCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000274923085 550565181 /nfs/dbraw/zinc/56/51/81/550565181.db2.gz BFPYVQRUVKYHMI-UHFFFAOYSA-N -2 3 356.278 2.377 20 5 FEBDHL COc1ccc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000326975159 553784873 /nfs/dbraw/zinc/78/48/73/553784873.db2.gz UKVHIRUYVSTHMW-GHMZBOCLSA-N -2 3 374.415 2.161 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)cc1C ZINC000328050946 553793073 /nfs/dbraw/zinc/79/30/73/553793073.db2.gz JSVBQTYTWMOBDM-JOCQHMNTSA-N -2 3 370.427 2.381 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000521863063 562185220 /nfs/dbraw/zinc/18/52/20/562185220.db2.gz RBTZWFJYDZIXTL-NWDGAFQWSA-N -2 3 358.416 2.235 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1C ZINC000822333183 607255366 /nfs/dbraw/zinc/25/53/66/607255366.db2.gz ZSJKQBGQKIZWDK-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000822333183 607255367 /nfs/dbraw/zinc/25/53/67/607255367.db2.gz ZSJKQBGQKIZWDK-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cccc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000548202152 673933653 /nfs/dbraw/zinc/93/36/53/673933653.db2.gz AONNHBWUYUKIAO-AWEZNQCLSA-N -2 3 350.352 2.007 20 5 FEBDHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000548862614 674002052 /nfs/dbraw/zinc/00/20/52/674002052.db2.gz IDJMXNIIXRIUHM-JMCQJSRRSA-N -2 3 362.791 2.026 20 5 FEBDHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000567885747 675332659 /nfs/dbraw/zinc/33/26/59/675332659.db2.gz BIMJYEIEKIQFDG-NSHDSACASA-N -2 3 364.807 2.416 20 5 FEBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000485050551 561311306 /nfs/dbraw/zinc/31/13/06/561311306.db2.gz HUXSWASVYMEQRM-NSHDSACASA-N -2 3 374.415 2.161 20 5 FEBDHL COc1ccc(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000485068195 561311792 /nfs/dbraw/zinc/31/17/92/561311792.db2.gz VRYUIVQFEFJUNV-NSHDSACASA-N -2 3 374.415 2.161 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000499262105 561547157 /nfs/dbraw/zinc/54/71/57/561547157.db2.gz AFHLMBFYKKDUKG-UHFFFAOYSA-N -3 3 370.314 2.247 20 5 FEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)c1C ZINC000519534604 562133853 /nfs/dbraw/zinc/13/38/53/562133853.db2.gz BKLBAYXKXOHOJY-YPMHNXCESA-N -2 3 358.416 2.235 20 5 FEBDHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000392062811 558615546 /nfs/dbraw/zinc/61/55/46/558615546.db2.gz HTRAIPLQRWDKLP-OCCSQVGLSA-N -2 3 360.363 2.046 20 5 FEBDHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000392062810 558615649 /nfs/dbraw/zinc/61/56/49/558615649.db2.gz HTRAIPLQRWDKLP-JSGCOSHPSA-N -2 3 360.363 2.046 20 5 FEBDHL CCN(c1cccc([O-])c1)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000473422708 561049857 /nfs/dbraw/zinc/04/98/57/561049857.db2.gz VNPPAJIXUYPIID-UHFFFAOYSA-N -2 3 366.351 2.214 20 5 FEBDHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1C ZINC000476386081 561118118 /nfs/dbraw/zinc/11/81/18/561118118.db2.gz COAPZBHJDBPLLT-UHFFFAOYSA-N -2 3 366.351 2.196 20 5 FEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2c(c1)C(=O)[N-]C2=O ZINC000540849279 562594413 /nfs/dbraw/zinc/59/44/13/562594413.db2.gz SMIURIGUDOFMLZ-UHFFFAOYSA-N -2 3 361.697 2.090 20 5 FEBDHL CC(C)(C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CCC1 ZINC000568870152 568242095 /nfs/dbraw/zinc/24/20/95/568242095.db2.gz GCASLFJQMJXLAD-UHFFFAOYSA-N -2 3 356.400 2.398 20 5 FEBDHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000570898945 568627596 /nfs/dbraw/zinc/62/75/96/568627596.db2.gz PZAXCVHJCLVQMX-JOYOIKCWSA-N -2 3 358.416 2.379 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c(C)c1 ZINC000822259138 607154559 /nfs/dbraw/zinc/15/45/59/607154559.db2.gz NMROLJZYZHKSNV-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c(C)c1 ZINC000822259138 607154561 /nfs/dbraw/zinc/15/45/61/607154561.db2.gz NMROLJZYZHKSNV-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL O=C([N-]c1nnc(C2CCOCC2)s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000581627802 671919310 /nfs/dbraw/zinc/91/93/10/671919310.db2.gz YBDWCMCZINQJIB-UHFFFAOYSA-N -2 3 350.356 2.298 20 5 FEBDHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000583979132 672144218 /nfs/dbraw/zinc/14/42/18/672144218.db2.gz QTYRRHFFYVVDJU-QMMMGPOBSA-N -2 3 350.780 2.027 20 5 FEBDHL O=C([O-])C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000261808110 328821352 /nfs/dbraw/zinc/82/13/52/328821352.db2.gz VJOIPDIHAVFFNP-UHFFFAOYSA-N -2 3 362.791 2.170 20 5 FEBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]CCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000274914647 329992120 /nfs/dbraw/zinc/99/21/20/329992120.db2.gz LJMRNAJKLIUHRZ-UHFFFAOYSA-N -2 3 350.780 2.090 20 5 FEBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-] ZINC000485064761 561311746 /nfs/dbraw/zinc/31/17/46/561311746.db2.gz OWCGDJFBDKUYMI-LLVKDONJSA-N -2 3 374.415 2.161 20 5 FEBDHL C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000520539042 562158563 /nfs/dbraw/zinc/15/85/63/562158563.db2.gz OVXKZZCGKGFYED-BQBZGAKWSA-N -2 3 370.305 2.001 20 5 FEBDHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000391790788 558615391 /nfs/dbraw/zinc/61/53/91/558615391.db2.gz MCCUFXFTAZNVDF-UHFFFAOYSA-N -2 3 370.770 2.425 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])cc1C ZINC000530423954 562410596 /nfs/dbraw/zinc/41/05/96/562410596.db2.gz LNGUVDRBXHGTAO-GFCCVEGCSA-N -2 3 356.400 2.133 20 5 FEBDHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c([N+](=O)[O-])c1 ZINC000534318062 562531408 /nfs/dbraw/zinc/53/14/08/562531408.db2.gz PSXMXYQRNJFDAC-UHFFFAOYSA-N -2 3 370.314 2.027 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)c1 ZINC000737362016 599039485 /nfs/dbraw/zinc/03/94/85/599039485.db2.gz LKOWEUFDQSPMGY-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)c1 ZINC000737362016 599039488 /nfs/dbraw/zinc/03/94/88/599039488.db2.gz LKOWEUFDQSPMGY-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826451748 608166811 /nfs/dbraw/zinc/16/68/11/608166811.db2.gz VGWBPZPGEICRKO-UHFFFAOYSA-N -2 3 362.252 2.011 20 5 FEBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826451748 608166812 /nfs/dbraw/zinc/16/68/12/608166812.db2.gz VGWBPZPGEICRKO-UHFFFAOYSA-N -2 3 362.252 2.011 20 5 FEBDHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000026235931 670068503 /nfs/dbraw/zinc/06/85/03/670068503.db2.gz DJQNPPIHWHBRQK-UHFFFAOYSA-N -2 3 370.314 2.027 20 5 FEBDHL Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000481975556 561246568 /nfs/dbraw/zinc/24/65/68/561246568.db2.gz GUTRWNCEKJDHLJ-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000481975556 561246569 /nfs/dbraw/zinc/24/65/69/561246569.db2.gz GUTRWNCEKJDHLJ-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000274982239 550569138 /nfs/dbraw/zinc/56/91/38/550569138.db2.gz JSVYTNUOIZGDLW-MRVPVSSYSA-N -2 3 350.780 2.088 20 5 FEBDHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000297344741 553281212 /nfs/dbraw/zinc/28/12/12/553281212.db2.gz YRWRQCCLBYAVPB-QMMMGPOBSA-N -2 3 350.780 2.027 20 5 FEBDHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000319244822 553763639 /nfs/dbraw/zinc/76/36/39/553763639.db2.gz XMAMVUOKXLUBJO-MRVPVSSYSA-N -2 3 350.780 2.027 20 5 FEBDHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000392979782 558620028 /nfs/dbraw/zinc/62/00/28/558620028.db2.gz ZYKBWZPDJIGCMA-QMMMGPOBSA-N -2 3 350.780 2.027 20 5 FEBDHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000399585828 558628133 /nfs/dbraw/zinc/62/81/33/558628133.db2.gz NGVLKADWMPOYCQ-UFBFGSQYSA-N -2 3 364.807 2.272 20 5 FEBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c1 ZINC000414353538 559158246 /nfs/dbraw/zinc/15/82/46/559158246.db2.gz VWLUJPZPMYYAAU-UHFFFAOYSA-N -2 3 364.326 2.007 20 5 FEBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000568096673 567879449 /nfs/dbraw/zinc/87/94/49/567879449.db2.gz LICHXCJBDRGUEB-QMMMGPOBSA-N -2 3 364.326 2.007 20 5 FEBDHL CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000736691499 599039704 /nfs/dbraw/zinc/03/97/04/599039704.db2.gz OSLVHKYVZDBVOU-UHFFFAOYSA-N -2 3 374.382 2.138 20 5 FEBDHL CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000736691499 599039706 /nfs/dbraw/zinc/03/97/06/599039706.db2.gz OSLVHKYVZDBVOU-UHFFFAOYSA-N -2 3 374.382 2.138 20 5 FEBDHL COc1ccc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000737930291 600537961 /nfs/dbraw/zinc/53/79/61/600537961.db2.gz BKLSAEQLRGOMEG-UHFFFAOYSA-N -2 3 366.355 2.115 20 5 FEBDHL CCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cc1 ZINC000821487530 607153659 /nfs/dbraw/zinc/15/36/59/607153659.db2.gz VWTIODQPGICJSZ-UHFFFAOYSA-N -2 3 374.382 2.138 20 5 FEBDHL CCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1 ZINC000821487530 607153660 /nfs/dbraw/zinc/15/36/60/607153660.db2.gz VWTIODQPGICJSZ-UHFFFAOYSA-N -2 3 374.382 2.138 20 5 FEBDHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826408699 608015264 /nfs/dbraw/zinc/01/52/64/608015264.db2.gz RNHXFKJACOULRM-UHFFFAOYSA-N -2 3 354.326 2.052 20 5 FEBDHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826408699 608015265 /nfs/dbraw/zinc/01/52/65/608015265.db2.gz RNHXFKJACOULRM-UHFFFAOYSA-N -2 3 354.326 2.052 20 5 FEBDHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000562968050 674828819 /nfs/dbraw/zinc/82/88/19/674828819.db2.gz MLGKVNXFWKAKLS-MFKMUULPSA-N -2 3 374.390 2.436 20 5 FEBDHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000596027668 673350462 /nfs/dbraw/zinc/35/04/62/673350462.db2.gz VCONBHCEQQIIIT-SNVBAGLBSA-N -2 3 362.791 2.027 20 5 FEBDHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1F ZINC000548550843 673970050 /nfs/dbraw/zinc/97/00/50/673970050.db2.gz WGICNPOCEWXBBI-UHFFFAOYSA-N -2 3 358.278 2.372 20 5 FEBDHL CCc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000749756249 680072883 /nfs/dbraw/zinc/07/28/83/680072883.db2.gz SYIGPDTWGCKIKL-UHFFFAOYSA-N -2 3 365.367 2.238 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])c1 ZINC000274953748 329996506 /nfs/dbraw/zinc/99/65/06/329996506.db2.gz GSJOAIBNZNELJR-MRVPVSSYSA-N -2 3 364.807 2.336 20 5 FEBDHL Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000275002801 330001158 /nfs/dbraw/zinc/00/11/58/330001158.db2.gz ONKYJRQKTWXIIH-SECBINFHSA-N -2 3 364.807 2.478 20 5 FEBDHL CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000262641371 549834637 /nfs/dbraw/zinc/83/46/37/549834637.db2.gz HLCIODOUHLMGRJ-SECBINFHSA-N -2 3 370.305 2.145 20 5 FEBDHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000499165377 561545075 /nfs/dbraw/zinc/54/50/75/561545075.db2.gz CYPDBJHICWEYPM-UHFFFAOYSA-N -3 3 366.351 2.416 20 5 FEBDHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000499173818 561545190 /nfs/dbraw/zinc/54/51/90/561545190.db2.gz JAIWNYYBMGRHOF-UHFFFAOYSA-N -2 3 365.367 2.368 20 5 FEBDHL Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1C(=O)[O-] ZINC000499290725 561547868 /nfs/dbraw/zinc/54/78/68/561547868.db2.gz KUQDLOJPUZJZFY-UHFFFAOYSA-N -3 3 366.351 2.416 20 5 FEBDHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000326786245 553783199 /nfs/dbraw/zinc/78/31/99/553783199.db2.gz OXFSRUUSDALTBL-UHFFFAOYSA-N -2 3 374.390 2.437 20 5 FEBDHL Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)ccc1C(=O)[O-] ZINC000508212806 561755468 /nfs/dbraw/zinc/75/54/68/561755468.db2.gz WHJVTBRKJKMUFI-UHFFFAOYSA-N -3 3 366.351 2.416 20 5 FEBDHL Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000568574950 568061142 /nfs/dbraw/zinc/06/11/42/568061142.db2.gz ZHTSWDLXYPTATD-MRVPVSSYSA-N -2 3 371.396 2.097 20 5 FEBDHL Cc1oc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)[O-] ZINC000833027785 601802077 /nfs/dbraw/zinc/80/20/77/601802077.db2.gz XFICSOIHTWIWGU-UHFFFAOYSA-N -2 3 374.758 2.326 20 5 FEBDHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000548862615 674002044 /nfs/dbraw/zinc/00/20/44/674002044.db2.gz IDJMXNIIXRIUHM-JVXZTZIISA-N -2 3 362.791 2.026 20 5 FEBDHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000274921636 329993018 /nfs/dbraw/zinc/99/30/18/329993018.db2.gz BHBNJGWTDZBPDK-LBPRGKRZSA-N -2 3 350.780 2.027 20 5 FEBDHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000274940257 329994953 /nfs/dbraw/zinc/99/49/53/329994953.db2.gz FBCRKRAZJRVMMX-SNVBAGLBSA-N -2 3 350.780 2.026 20 5 FEBDHL O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(Cn2cccn2)on1 ZINC000497735395 561507532 /nfs/dbraw/zinc/50/75/32/561507532.db2.gz XTKGYCFIBOFDJX-UHFFFAOYSA-N -2 3 363.717 2.439 20 5 FEBDHL Cc1ccc(-c2nc([N-]C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)n[n-]2)o1 ZINC000497741446 561507701 /nfs/dbraw/zinc/50/77/01/561507701.db2.gz CDRWTNDOGLHWQH-UHFFFAOYSA-N -2 3 371.309 2.305 20 5 FEBDHL CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000317883541 553762370 /nfs/dbraw/zinc/76/23/70/553762370.db2.gz NPJWMYWMPXFEKF-QMMMGPOBSA-N -2 3 350.780 2.027 20 5 FEBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000323833968 553770601 /nfs/dbraw/zinc/77/06/01/553770601.db2.gz ADGYSZQUIUXONZ-CYBMUJFWSA-N -2 3 370.770 2.352 20 5 FEBDHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC000737400743 599040111 /nfs/dbraw/zinc/04/01/11/599040111.db2.gz YPSYAZHOEIVHIQ-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC000737400743 599040113 /nfs/dbraw/zinc/04/01/13/599040113.db2.gz YPSYAZHOEIVHIQ-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL COc1ccc(C=Cc2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1-c1nnn[n-]1 ZINC000737082557 599153750 /nfs/dbraw/zinc/15/37/50/599153750.db2.gz XGOLQPOUUHJBHR-RQOWECAXSA-N -2 3 368.309 2.047 20 5 FEBDHL COc1ccc(C=Cc2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1-c1nn[n-]n1 ZINC000737082557 599153753 /nfs/dbraw/zinc/15/37/53/599153753.db2.gz XGOLQPOUUHJBHR-RQOWECAXSA-N -2 3 368.309 2.047 20 5 FEBDHL O=C([O-])c1c(F)cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000559204544 674532697 /nfs/dbraw/zinc/53/26/97/674532697.db2.gz HIOKWDCWJSGTAQ-UHFFFAOYSA-N -2 3 372.305 2.050 20 5 FEBDHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)(CC(=O)[O-])C1 ZINC000548556511 673971191 /nfs/dbraw/zinc/97/11/91/673971191.db2.gz XMWFFVVTLAVNSB-MEBBXXQBSA-N -2 3 374.390 2.293 20 5 FEBDHL C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000776589531 681412012 /nfs/dbraw/zinc/41/20/12/681412012.db2.gz NGVZWTAAVUISBV-ZETCQYMHSA-N -2 3 370.305 2.003 20 5 FEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)ccc1[O-] ZINC000090166539 325355204 /nfs/dbraw/zinc/35/52/04/325355204.db2.gz YCPOEPPRZQQECP-UHFFFAOYSA-N -2 3 360.351 2.491 20 5 FEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])c1C ZINC000262454832 328866959 /nfs/dbraw/zinc/86/69/59/328866959.db2.gz KWBZXQQFKPCOPN-LBPRGKRZSA-N -2 3 358.416 2.237 20 5 FEBDHL O=C(CNC(=O)c1cccc([O-])c1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000485408116 561318441 /nfs/dbraw/zinc/31/84/41/561318441.db2.gz OBKBSAZLIGMPNN-UHFFFAOYSA-N -2 3 365.729 2.028 20 5 FEBDHL COc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c([N+](=O)[O-])c1 ZINC000327415084 553788743 /nfs/dbraw/zinc/78/87/43/553788743.db2.gz HNDOTDWWFNIPKI-NSHDSACASA-N -2 3 374.415 2.019 20 5 FEBDHL COC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000508242880 561756265 /nfs/dbraw/zinc/75/62/65/561756265.db2.gz QVCSATMRQFSGRX-UHFFFAOYSA-N -2 3 366.351 2.196 20 5 FEBDHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)ccc1[O-] ZINC000392951815 558620021 /nfs/dbraw/zinc/62/00/21/558620021.db2.gz DLISECYZYCMANO-UHFFFAOYSA-N -2 3 370.314 2.027 20 5 FEBDHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1[N+](=O)[O-] ZINC000392957505 558620040 /nfs/dbraw/zinc/62/00/40/558620040.db2.gz GFVQRTVBXPOBKL-UHFFFAOYSA-N -2 3 370.314 2.242 20 5 FEBDHL COC(=O)c1ccc([O-])c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000436502870 559943384 /nfs/dbraw/zinc/94/33/84/559943384.db2.gz DWEIWOVIOYWTQF-UHFFFAOYSA-N -2 3 356.294 2.216 20 5 FEBDHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436919608 559956474 /nfs/dbraw/zinc/95/64/74/559956474.db2.gz MBQQALYJBDQCTQ-UHFFFAOYSA-N -2 3 365.367 2.233 20 5 FEBDHL COc1ccccc1-c1nc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n[n-]1 ZINC000436949085 559957285 /nfs/dbraw/zinc/95/72/85/559957285.db2.gz JPSARFMYFLKAGM-UHFFFAOYSA-N -2 3 355.310 2.346 20 5 FEBDHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736702873 599039262 /nfs/dbraw/zinc/03/92/62/599039262.db2.gz XSJKJPSWQGRRAL-UHFFFAOYSA-N -2 3 374.382 2.138 20 5 FEBDHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736702873 599039265 /nfs/dbraw/zinc/03/92/65/599039265.db2.gz XSJKJPSWQGRRAL-UHFFFAOYSA-N -2 3 374.382 2.138 20 5 FEBDHL COc1ccc(C=Cc2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1-c1nnn[n-]1 ZINC000737082556 599153715 /nfs/dbraw/zinc/15/37/15/599153715.db2.gz XGOLQPOUUHJBHR-DUXPYHPUSA-N -2 3 368.309 2.047 20 5 FEBDHL COc1ccc(C=Cc2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1-c1nn[n-]n1 ZINC000737082556 599153718 /nfs/dbraw/zinc/15/37/18/599153718.db2.gz XGOLQPOUUHJBHR-DUXPYHPUSA-N -2 3 368.309 2.047 20 5 FEBDHL O=C([O-])CCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000560888970 674624094 /nfs/dbraw/zinc/62/40/94/674624094.db2.gz KHFXDOGXRQFBGN-UHFFFAOYSA-N -2 3 370.305 2.147 20 5 FEBDHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000492961410 561453682 /nfs/dbraw/zinc/45/36/82/561453682.db2.gz NWDFXNNJTODDPO-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000492961410 561453683 /nfs/dbraw/zinc/45/36/83/561453683.db2.gz NWDFXNNJTODDPO-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL CCC(CC)(C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000325415425 553776380 /nfs/dbraw/zinc/77/63/80/553776380.db2.gz MDCMDHLNSPIGKK-UHFFFAOYSA-N -2 3 358.416 2.381 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000507002787 561713531 /nfs/dbraw/zinc/71/35/31/561713531.db2.gz RZCOTZAPHNRFCI-UHFFFAOYSA-N -2 3 350.352 2.440 20 5 FEBDHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000401337095 558629532 /nfs/dbraw/zinc/62/95/32/558629532.db2.gz PTUYWPGVOOOSEA-JTQLQIEISA-N -2 3 364.807 2.416 20 5 FEBDHL Cc1ccc(F)c(-c2cc(=NC(=O)c3cc([N+](=O)[O-])cnc3[O-])[nH][n-]2)c1 ZINC000444815548 560121651 /nfs/dbraw/zinc/12/16/51/560121651.db2.gz QCZJAUMYJREDLQ-UHFFFAOYSA-N -2 3 357.301 2.785 20 5 FEBDHL Cc1ccc(F)c(-c2cc(=NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)[nH][n-]2)c1 ZINC000444815548 560121652 /nfs/dbraw/zinc/12/16/52/560121652.db2.gz QCZJAUMYJREDLQ-UHFFFAOYSA-N -2 3 357.301 2.785 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2 ZINC000808123955 674442496 /nfs/dbraw/zinc/44/24/96/674442496.db2.gz JBRPBCQGYPNRLV-UHFFFAOYSA-N -2 3 364.335 2.080 20 5 FEBDHL C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593942979 673013646 /nfs/dbraw/zinc/01/36/46/673013646.db2.gz BCWXCPIKQMPGGA-INTQDDNPSA-N -2 3 374.390 2.148 20 5 FEBDHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000596026417 673350122 /nfs/dbraw/zinc/35/01/22/673350122.db2.gz JDLSYHYYCPMPSN-SNVBAGLBSA-N -2 3 362.791 2.027 20 5 FEBDHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)(C(=O)[O-])C1 ZINC000551916009 674172885 /nfs/dbraw/zinc/17/28/85/674172885.db2.gz OKRMROIPGBHBFO-AWEZNQCLSA-N -2 3 360.363 2.046 20 5 FEBDHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000261805681 328821079 /nfs/dbraw/zinc/82/10/79/328821079.db2.gz VFGWJVFLDFSVKV-SECBINFHSA-N -2 3 364.807 2.273 20 5 FEBDHL Cc1ccc(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000485058166 561311526 /nfs/dbraw/zinc/31/15/26/561311526.db2.gz FROROHOEUUYZLV-NSHDSACASA-N -2 3 358.416 2.461 20 5 FEBDHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000296807348 553214423 /nfs/dbraw/zinc/21/44/23/553214423.db2.gz BZJHTGYIOBJXRF-PSASIEDQSA-N -2 3 362.791 2.027 20 5 FEBDHL CC[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000297344738 553281274 /nfs/dbraw/zinc/28/12/74/553281274.db2.gz YRWRQCCLBYAVPB-MRVPVSSYSA-N -2 3 350.780 2.027 20 5 FEBDHL Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000504278224 561655519 /nfs/dbraw/zinc/65/55/19/561655519.db2.gz AYIIWFPEYHESHY-UHFFFAOYSA-N -3 3 370.314 2.247 20 5 FEBDHL COC(=O)c1cccc2nc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)[n-]c21 ZINC000507298661 561724108 /nfs/dbraw/zinc/72/41/08/561724108.db2.gz AEYHYXOFGBHIOD-UHFFFAOYSA-N -2 3 356.294 2.216 20 5 FEBDHL COC(=O)c1cccc2[n-]c(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)nc21 ZINC000507298661 561724109 /nfs/dbraw/zinc/72/41/09/561724109.db2.gz AEYHYXOFGBHIOD-UHFFFAOYSA-N -2 3 356.294 2.216 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([S@](C)=O)c1 ZINC000508214987 561755436 /nfs/dbraw/zinc/75/54/36/561755436.db2.gz GQMODSMFWQXZAA-QHCPKHFHSA-N -2 3 370.408 2.147 20 5 FEBDHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000365261826 555526246 /nfs/dbraw/zinc/52/62/46/555526246.db2.gz PBOIOSBCSRCCDR-UHFFFAOYSA-N -2 3 371.349 2.136 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)cc1C ZINC000399653792 558628258 /nfs/dbraw/zinc/62/82/58/558628258.db2.gz NTSBEYXROGFXLM-RISCZKNCSA-N -2 3 358.416 2.235 20 5 FEBDHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000399585825 558628314 /nfs/dbraw/zinc/62/83/14/558628314.db2.gz NGVLKADWMPOYCQ-PELKAZGASA-N -2 3 364.807 2.272 20 5 FEBDHL CSCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414334664 559156959 /nfs/dbraw/zinc/15/69/59/559156959.db2.gz GDNXPJFIUFPSRS-UHFFFAOYSA-N -2 3 362.429 2.105 20 5 FEBDHL CCc1nc(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000426665214 559739916 /nfs/dbraw/zinc/73/99/16/559739916.db2.gz JHKZCHZEAKADLS-UHFFFAOYSA-N -2 3 361.354 2.254 20 5 FEBDHL COc1ccccc1-c1n[n-]c(=NCc2cc(OC)c([O-])cc2[N+](=O)[O-])o1 ZINC000428350534 559773715 /nfs/dbraw/zinc/77/37/15/559773715.db2.gz YGFJARVRNKZOAX-UHFFFAOYSA-N -2 3 372.337 2.980 20 5 FEBDHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)ccc1[N+](=O)[O-] ZINC000822211821 607255353 /nfs/dbraw/zinc/25/53/53/607255353.db2.gz PQSFOSWRPGEWEV-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1sccc1-c1nnn[n-]1 ZINC000826451817 609285447 /nfs/dbraw/zinc/28/54/47/609285447.db2.gz XJNRWUFGHOXONR-UHFFFAOYSA-N -2 3 366.746 2.448 20 5 FEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1sccc1-c1nn[n-]n1 ZINC000826451817 609285448 /nfs/dbraw/zinc/28/54/48/609285448.db2.gz XJNRWUFGHOXONR-UHFFFAOYSA-N -2 3 366.746 2.448 20 5 FEBDHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000562968052 674828726 /nfs/dbraw/zinc/82/87/26/674828726.db2.gz MLGKVNXFWKAKLS-ZWNOBZJWSA-N -2 3 374.390 2.436 20 5 FEBDHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000583979131 672144362 /nfs/dbraw/zinc/14/43/62/672144362.db2.gz QTYRRHFFYVVDJU-MRVPVSSYSA-N -2 3 350.780 2.027 20 5 FEBDHL CCc1ccc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000548529743 673966330 /nfs/dbraw/zinc/96/63/30/673966330.db2.gz IEMZDPFFGHEFSK-OAHLLOKOSA-N -2 3 364.379 2.261 20 5 FEBDHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000568970659 675413810 /nfs/dbraw/zinc/41/38/10/675413810.db2.gz YTEAXSMVSRQLHM-UHFFFAOYSA-N -2 3 370.305 2.003 20 5 FEBDHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000013195556 539584375 /nfs/dbraw/zinc/58/43/75/539584375.db2.gz DPFXEKVUOQHFOV-LBPRGKRZSA-N -2 3 350.352 2.089 20 5 FEBDHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261634414 328807524 /nfs/dbraw/zinc/80/75/24/328807524.db2.gz HZDGGNOZLQYEMG-SECBINFHSA-N -2 3 350.780 2.170 20 5 FEBDHL COc1cc([O-])cc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488278235 561387327 /nfs/dbraw/zinc/38/73/27/561387327.db2.gz INGOTHGCWFLBJU-UHFFFAOYSA-N -2 3 372.330 2.258 20 5 FEBDHL CCCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000261681040 549742274 /nfs/dbraw/zinc/74/22/74/549742274.db2.gz MLJYCXVZPUKVOV-JTQLQIEISA-N -2 3 350.780 2.170 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([S@](C)=O)cc1 ZINC000499274937 561547355 /nfs/dbraw/zinc/54/73/55/561547355.db2.gz SESKUPZQVIWJCV-QHCPKHFHSA-N -2 3 370.408 2.147 20 5 FEBDHL CCC(CC)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000322130183 553768049 /nfs/dbraw/zinc/76/80/49/553768049.db2.gz YNCABKJTWBNWOM-UHFFFAOYSA-N -2 3 364.807 2.418 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000323819650 553770564 /nfs/dbraw/zinc/77/05/64/553770564.db2.gz DJVMSNCCHPFHMD-UHFFFAOYSA-N -3 3 352.324 2.108 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)cc1C ZINC000325198492 553775390 /nfs/dbraw/zinc/77/53/90/553775390.db2.gz IQGQASVRXLOAOO-UHFFFAOYSA-N -2 3 356.400 2.135 20 5 FEBDHL COc1ccc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000326975160 553785052 /nfs/dbraw/zinc/78/50/52/553785052.db2.gz UKVHIRUYVSTHMW-MNOVXSKESA-N -2 3 374.415 2.161 20 5 FEBDHL Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc(C(=O)[O-])c1 ZINC000507621112 561735422 /nfs/dbraw/zinc/73/54/22/561735422.db2.gz MXSYSDYLIHVOFJ-UHFFFAOYSA-N -3 3 366.351 2.416 20 5 FEBDHL CC(=O)c1cccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000517068987 562074484 /nfs/dbraw/zinc/07/44/84/562074484.db2.gz KJHZKLWWELDGMX-UHFFFAOYSA-N -2 3 364.379 2.487 20 5 FEBDHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000388419826 558608733 /nfs/dbraw/zinc/60/87/33/558608733.db2.gz CQQAJUFUOHXDOH-QMMMGPOBSA-N -2 3 350.780 2.027 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])cc1C ZINC000392525263 558617832 /nfs/dbraw/zinc/61/78/32/558617832.db2.gz KYBCOQRQLLEXEE-NWDGAFQWSA-N -2 3 356.400 2.133 20 5 FEBDHL O=C([O-])CSCc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000739871128 599991933 /nfs/dbraw/zinc/99/19/33/599991933.db2.gz JOCBVRJEEZOGGC-UHFFFAOYSA-N -2 3 363.351 2.266 20 5 FEBDHL O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000548525825 673965398 /nfs/dbraw/zinc/96/53/98/673965398.db2.gz OGNPNJKUFOTATE-UHFFFAOYSA-N -2 3 354.315 2.374 20 5 FEBDHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000603462267 675799395 /nfs/dbraw/zinc/79/93/95/675799395.db2.gz RAGJJSWINXBRFO-UHFFFAOYSA-N -2 3 365.367 2.368 20 5 FEBDHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC000262418394 328864519 /nfs/dbraw/zinc/86/45/19/328864519.db2.gz MQCUCOJXBVRHNE-UFBFGSQYSA-N -2 3 364.807 2.334 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1C(=O)[O-] ZINC000499281275 561547761 /nfs/dbraw/zinc/54/77/61/561547761.db2.gz BBVAEJMXLDUCDW-UHFFFAOYSA-N -3 3 366.351 2.416 20 5 FEBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000327474827 553789216 /nfs/dbraw/zinc/78/92/16/553789216.db2.gz GYEUICOXEARBPC-QWRGUYRKSA-N -2 3 374.415 2.161 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000508213042 561755362 /nfs/dbraw/zinc/75/53/62/561755362.db2.gz ZTIVPOBCFMOBOA-UHFFFAOYSA-N -3 3 366.351 2.416 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)c1[N+](=O)[O-] ZINC000515027331 561992539 /nfs/dbraw/zinc/99/25/39/561992539.db2.gz KKBKMIOYKLKGFU-UHFFFAOYSA-N -2 3 356.400 2.135 20 5 FEBDHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1Cl ZINC000392173099 558615979 /nfs/dbraw/zinc/61/59/79/558615979.db2.gz PCBPJJSNJFXUHG-UHFFFAOYSA-N -3 3 372.742 2.453 20 5 FEBDHL COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414342810 559157578 /nfs/dbraw/zinc/15/75/78/559157578.db2.gz NBERXQXJIGSLAJ-UHFFFAOYSA-N -2 3 374.415 2.024 20 5 FEBDHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000530367561 562408547 /nfs/dbraw/zinc/40/85/47/562408547.db2.gz LSCOYAUSBBRIMO-JTQLQIEISA-N -2 3 362.791 2.170 20 5 FEBDHL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])[nH]nc1C1CC1 ZINC000832853613 602103166 /nfs/dbraw/zinc/10/31/66/602103166.db2.gz NVGIDNGRNICILF-UHFFFAOYSA-N -2 3 366.355 2.003 20 5 FEBDHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000596027667 673350429 /nfs/dbraw/zinc/35/04/29/673350429.db2.gz VCONBHCEQQIIIT-JTQLQIEISA-N -2 3 362.791 2.027 20 5 FEBDHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000547896077 673899567 /nfs/dbraw/zinc/89/95/67/673899567.db2.gz KAPSOLAAEHLRJO-LBPRGKRZSA-N -2 3 360.363 2.046 20 5 FEBDHL Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])c1C ZINC000547964365 673909454 /nfs/dbraw/zinc/90/94/54/673909454.db2.gz XFOKLADIEABARH-OAHLLOKOSA-N -2 3 364.379 2.316 20 5 FEBDHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC1CCCC1 ZINC000776550975 681403636 /nfs/dbraw/zinc/40/36/36/681403636.db2.gz DWWBKRXOSBWJPY-LLVKDONJSA-N -2 3 374.390 2.293 20 5 FEBDHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000297127440 330194526 /nfs/dbraw/zinc/19/45/26/330194526.db2.gz HCFAPCSMVOKMTE-QMMMGPOBSA-N -2 3 350.780 2.170 20 5 FEBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000274975237 550568660 /nfs/dbraw/zinc/56/86/60/550568660.db2.gz JEAPBPBGRHUYGC-MRVPVSSYSA-N -2 3 364.807 2.336 20 5 FEBDHL COC(=O)c1cccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])[n-]c21 ZINC000436958741 559957551 /nfs/dbraw/zinc/95/75/51/559957551.db2.gz JWVFRBVJTYVLEY-UHFFFAOYSA-N -2 3 356.294 2.216 20 5 FEBDHL COC(=O)c1cccc2[n-]c(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])nc21 ZINC000436958741 559957552 /nfs/dbraw/zinc/95/75/52/559957552.db2.gz JWVFRBVJTYVLEY-UHFFFAOYSA-N -2 3 356.294 2.216 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c1[N+](=O)[O-] ZINC000530526304 562414646 /nfs/dbraw/zinc/41/46/46/562414646.db2.gz DZHUDLIFKRJZSB-GFCCVEGCSA-N -2 3 356.400 2.133 20 5 FEBDHL C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H](C)C(=O)[O-] ZINC000569313468 568368448 /nfs/dbraw/zinc/36/84/48/568368448.db2.gz KAQVJPCVRLMNIR-RNFRBKRXSA-N -2 3 370.305 2.001 20 5 FEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823387463 607458724 /nfs/dbraw/zinc/45/87/24/607458724.db2.gz KWSXXBDIXDKNKJ-ARJAWSKDSA-N -2 3 356.273 2.178 20 5 FEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823387463 607458726 /nfs/dbraw/zinc/45/87/26/607458726.db2.gz KWSXXBDIXDKNKJ-ARJAWSKDSA-N -2 3 356.273 2.178 20 5 FEBDHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC(=O)[O-] ZINC000548204822 673934114 /nfs/dbraw/zinc/93/41/14/673934114.db2.gz RFWXAOICJHJRIB-VIFPVBQESA-N -2 3 362.379 2.149 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])cc1C ZINC000261715113 328813990 /nfs/dbraw/zinc/81/39/90/328813990.db2.gz QBYVCBFAASEJJQ-LBPRGKRZSA-N -2 3 358.416 2.237 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-] ZINC000485052962 561311496 /nfs/dbraw/zinc/31/14/96/561311496.db2.gz FIZCUDWOUXENOL-LLVKDONJSA-N -2 3 358.416 2.461 20 5 FEBDHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261634418 549737342 /nfs/dbraw/zinc/73/73/42/549737342.db2.gz HZDGGNOZLQYEMG-VIFPVBQESA-N -2 3 350.780 2.170 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)cc1C ZINC000325896413 553778279 /nfs/dbraw/zinc/77/82/79/553778279.db2.gz VEFIBPGMHVAINX-CYBMUJFWSA-N -2 3 370.408 2.377 20 5 FEBDHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000520539044 562158631 /nfs/dbraw/zinc/15/86/31/562158631.db2.gz OVXKZZCGKGFYED-RNFRBKRXSA-N -2 3 370.305 2.001 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C ZINC000392425703 558617218 /nfs/dbraw/zinc/61/72/18/558617218.db2.gz IOTZUUKUKNRAHB-LLVKDONJSA-N -2 3 358.416 2.461 20 5 FEBDHL COc1ccccc1-c1nc([N-]C(=O)c2cc([O-])ccc2[N+](=O)[O-])n[nH]1 ZINC000431921204 559848604 /nfs/dbraw/zinc/84/86/04/559848604.db2.gz IENHVIVEEULRNS-UHFFFAOYSA-N -2 3 355.310 2.346 20 5 FEBDHL C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC[C@H]1C(=O)[O-] ZINC000833572645 605246914 /nfs/dbraw/zinc/24/69/14/605246914.db2.gz WLPXQPIFUDNWHD-HZMBPMFUSA-N -2 3 360.363 2.046 20 5 FEBDHL Cc1cc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC000596090564 673357662 /nfs/dbraw/zinc/35/76/62/673357662.db2.gz OAUSSDLIEOKCCX-UHFFFAOYSA-N -2 3 368.367 2.408 20 5 FEBDHL CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000614343562 676170344 /nfs/dbraw/zinc/17/03/44/676170344.db2.gz QGFINHLUSSFOGN-ZETCQYMHSA-N -2 3 370.305 2.003 20 5 FEBDHL O=c1nc(C=Cc2cc(Cl)c3c(c2)OCCO3)c([N+](=O)[O-])c([O-])[n-]1 ZINC000486023338 561335548 /nfs/dbraw/zinc/33/55/48/561335548.db2.gz AVPWBBPQBGCENC-UPHRSURJSA-N -2 3 351.702 2.391 20 5 FEBDHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000392461903 558617785 /nfs/dbraw/zinc/61/77/85/558617785.db2.gz MMMIHRJWQFXIQA-ZJUUUORDSA-N -2 3 362.379 2.292 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)cc1C ZINC000399653790 558628222 /nfs/dbraw/zinc/62/82/22/558628222.db2.gz NTSBEYXROGFXLM-BXUZGUMPSA-N -2 3 358.416 2.235 20 5 FEBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2=CCCCC2)c1 ZINC000414316524 559155873 /nfs/dbraw/zinc/15/58/73/559155873.db2.gz IDUGFTZZNZPPKA-UHFFFAOYSA-N -2 3 354.384 2.462 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])cc1C ZINC000530423957 562410581 /nfs/dbraw/zinc/41/05/81/562410581.db2.gz LNGUVDRBXHGTAO-LBPRGKRZSA-N -2 3 356.400 2.133 20 5 FEBDHL O=C([O-])c1cc(NC(=O)c2nnc3ccccc3c2[O-])cc([N+](=O)[O-])c1 ZINC000740089473 600190413 /nfs/dbraw/zinc/19/04/13/600190413.db2.gz YNBPLGAIAVUCBE-UHFFFAOYSA-N -2 3 354.278 2.194 20 5 FEBDHL O=C([O-])COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Cl ZINC000833258767 604942561 /nfs/dbraw/zinc/94/25/61/604942561.db2.gz XEPJJZCDNYQOEG-UHFFFAOYSA-N -2 3 367.701 2.065 20 5 FEBDHL Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000547873633 673895728 /nfs/dbraw/zinc/89/57/28/673895728.db2.gz QKMWNPPFBDUOQI-CQSZACIVSA-N -2 3 350.352 2.007 20 5 FEBDHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000104389955 543131197 /nfs/dbraw/zinc/13/11/97/543131197.db2.gz CVKFXUHVDVVPRA-UHFFFAOYSA-N -2 3 366.293 2.067 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000262382559 328862635 /nfs/dbraw/zinc/86/26/35/328862635.db2.gz ODFJFOMHOBUONE-UHFFFAOYSA-N -2 3 356.400 2.133 20 5 FEBDHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000275038283 330004199 /nfs/dbraw/zinc/00/41/99/330004199.db2.gz VAKOIUCRVNKRBJ-QMMMGPOBSA-N -2 3 350.780 2.170 20 5 FEBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C ZINC000275055533 330006112 /nfs/dbraw/zinc/00/61/12/330006112.db2.gz TWAXWWOCGABSDO-JTQLQIEISA-N -2 3 374.415 2.161 20 5 FEBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCCCCCC(=O)[O-] ZINC000275291968 330031452 /nfs/dbraw/zinc/03/14/52/330031452.db2.gz PMXSMACUAWWDPD-UHFFFAOYSA-N -2 3 374.415 2.307 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000479120568 561181896 /nfs/dbraw/zinc/18/18/96/561181896.db2.gz MMOLWKDSWAUFJI-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000479120568 561181897 /nfs/dbraw/zinc/18/18/97/561181897.db2.gz MMOLWKDSWAUFJI-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000324418346 553771863 /nfs/dbraw/zinc/77/18/63/553771863.db2.gz SQAGXUYCCMYGPC-UHFFFAOYSA-N -3 3 372.742 2.453 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000325644358 553777340 /nfs/dbraw/zinc/77/73/40/553777340.db2.gz XDIWMEDCZSBHPH-WFASDCNBSA-N -2 3 356.400 2.215 20 5 FEBDHL Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000365754878 555660482 /nfs/dbraw/zinc/66/04/82/555660482.db2.gz VCVKNAWLORMACF-UHFFFAOYSA-N -2 3 373.756 2.424 20 5 FEBDHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000391837311 558615043 /nfs/dbraw/zinc/61/50/43/558615043.db2.gz GFHBQRVXLHLQER-VIFPVBQESA-N -2 3 350.780 2.170 20 5 FEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826461756 607916231 /nfs/dbraw/zinc/91/62/31/607916231.db2.gz FYVMIKZPUSCFGC-DUXPYHPUSA-N -2 3 356.273 2.178 20 5 FEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826461756 607916232 /nfs/dbraw/zinc/91/62/32/607916232.db2.gz FYVMIKZPUSCFGC-DUXPYHPUSA-N -2 3 356.273 2.178 20 5 FEBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c([N+](=O)[O-])c1 ZINC000567592876 675304598 /nfs/dbraw/zinc/30/45/98/675304598.db2.gz IWINNPKNFHXIML-VIFPVBQESA-N -2 3 364.326 2.007 20 5 FEBDHL CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000486908648 561359498 /nfs/dbraw/zinc/35/94/98/561359498.db2.gz KINTVCZLDJLKMT-UHFFFAOYSA-N -2 3 374.382 2.138 20 5 FEBDHL CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000486908648 561359499 /nfs/dbraw/zinc/35/94/99/561359499.db2.gz KINTVCZLDJLKMT-UHFFFAOYSA-N -2 3 374.382 2.138 20 5 FEBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC000327348970 553787947 /nfs/dbraw/zinc/78/79/47/553787947.db2.gz QIJMZGCRACSFOF-NSHDSACASA-N -2 3 374.415 2.019 20 5 FEBDHL CS(=O)(=O)[N-]c1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1F ZINC000505966600 561686328 /nfs/dbraw/zinc/68/63/28/561686328.db2.gz SQJXPAXHRBRBRV-UHFFFAOYSA-N -2 3 369.330 2.063 20 5 FEBDHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548618982 673980450 /nfs/dbraw/zinc/98/04/50/673980450.db2.gz CKUIOJCTLHOIJB-MRVPVSSYSA-N -2 3 364.807 2.416 20 5 FEBDHL CCc1[nH]nc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1[N+](=O)[O-] ZINC000758468623 680583692 /nfs/dbraw/zinc/58/36/92/680583692.db2.gz GXHKXNKOQMQUGL-UHFFFAOYSA-N -2 3 355.694 2.400 20 5 FEBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000274975240 329998470 /nfs/dbraw/zinc/99/84/70/329998470.db2.gz JEAPBPBGRHUYGC-QMMMGPOBSA-N -2 3 364.807 2.336 20 5 FEBDHL COc1ccc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000485068193 561311842 /nfs/dbraw/zinc/31/18/42/561311842.db2.gz VRYUIVQFEFJUNV-LLVKDONJSA-N -2 3 374.415 2.161 20 5 FEBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000274947495 550566874 /nfs/dbraw/zinc/56/68/74/550566874.db2.gz HKZXDKFAVPBJIT-QMMMGPOBSA-N -2 3 364.807 2.336 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000324986339 553774515 /nfs/dbraw/zinc/77/45/15/553774515.db2.gz UWOSOSTZFJTUHC-UHFFFAOYSA-N -3 3 352.324 2.108 20 5 FEBDHL CC(C)(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CCC(=O)[O-] ZINC000325486192 553776883 /nfs/dbraw/zinc/77/68/83/553776883.db2.gz CMXVWRDJMKMDEH-UHFFFAOYSA-N -2 3 362.379 2.293 20 5 FEBDHL CCC1CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC000391938658 558615317 /nfs/dbraw/zinc/61/53/17/558615317.db2.gz YELOGNAFYDUMOP-UHFFFAOYSA-N -2 3 356.400 2.297 20 5 FEBDHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000401351521 558629574 /nfs/dbraw/zinc/62/95/74/558629574.db2.gz XSFWDBPFTVGCBA-VIFPVBQESA-N -2 3 364.807 2.416 20 5 FEBDHL CCC(CC)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000424362668 559661928 /nfs/dbraw/zinc/66/19/28/559661928.db2.gz AQAPQPHANQYJEX-UHFFFAOYSA-N -2 3 350.418 2.134 20 5 FEBDHL C[C@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000547908967 601128186 /nfs/dbraw/zinc/12/81/86/601128186.db2.gz YLODDYBHXVWTFS-NHYWBVRUSA-N -2 3 364.379 2.335 20 5 FEBDHL C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC[C@H]1C(=O)[O-] ZINC000833572648 605246697 /nfs/dbraw/zinc/24/66/97/605246697.db2.gz WLPXQPIFUDNWHD-IINYFYTJSA-N -2 3 360.363 2.046 20 5 FEBDHL CCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1 ZINC000821492890 607153972 /nfs/dbraw/zinc/15/39/72/607153972.db2.gz YIPLZIWLFFKUSC-UHFFFAOYSA-N -2 3 374.382 2.138 20 5 FEBDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000561246184 674649893 /nfs/dbraw/zinc/64/98/93/674649893.db2.gz DLTJOPVGJPOHDB-UHFFFAOYSA-N -2 3 354.340 2.118 20 5 FEBDHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-])C1CC1 ZINC000548862698 674002014 /nfs/dbraw/zinc/00/20/14/674002014.db2.gz YEBQSZYCKRMJFK-JMCQJSRRSA-N -2 3 362.791 2.026 20 5 FEBDHL Cc1cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1C ZINC000760337911 680683578 /nfs/dbraw/zinc/68/35/78/680683578.db2.gz BIDZUFKPTDFFOI-UHFFFAOYSA-N -2 3 365.367 2.293 20 5 FEBDHL Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)OCO2 ZINC000781115429 681903398 /nfs/dbraw/zinc/90/33/98/681903398.db2.gz OGRSZSGWJRZQRE-UHFFFAOYSA-N -2 3 352.324 2.138 20 5 FEBDHL O=C(NCc1ccc([O-])c(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193730974 328392171 /nfs/dbraw/zinc/39/21/71/328392171.db2.gz RPSYYXHVZQTKND-UHFFFAOYSA-N -2 3 368.143 2.094 20 5 FEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1C ZINC000486888110 561358987 /nfs/dbraw/zinc/35/89/87/561358987.db2.gz QVSJIGHKMFSQOM-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1C ZINC000486888110 561358988 /nfs/dbraw/zinc/35/89/88/561358988.db2.gz QVSJIGHKMFSQOM-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000436478164 559942553 /nfs/dbraw/zinc/94/25/53/559942553.db2.gz NXJQCRRPAAUWNL-UHFFFAOYSA-N -2 3 366.351 2.196 20 5 FEBDHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000531364914 562443552 /nfs/dbraw/zinc/44/35/52/562443552.db2.gz JHYZVWJDPSNKBA-UHFFFAOYSA-N -3 3 366.351 2.362 20 5 FEBDHL COc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000532037227 562464769 /nfs/dbraw/zinc/46/47/69/562464769.db2.gz DZXHFZJJAHGVGB-UHFFFAOYSA-N -2 3 370.314 2.242 20 5 FEBDHL Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([O-])c1 ZINC000534236050 562528349 /nfs/dbraw/zinc/52/83/49/562528349.db2.gz SVMVNWNDVSKBSK-UHFFFAOYSA-N -3 3 352.324 2.108 20 5 FEBDHL Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000568574951 568061119 /nfs/dbraw/zinc/06/11/19/568061119.db2.gz ZHTSWDLXYPTATD-QMMMGPOBSA-N -2 3 371.396 2.097 20 5 FEBDHL O=C([O-])CCc1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000739776698 600634540 /nfs/dbraw/zinc/63/45/40/600634540.db2.gz IHJOUUUNDWABKV-UHFFFAOYSA-N -2 3 356.747 2.369 20 5 FEBDHL Cc1cc([N-]c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000826271391 609587226 /nfs/dbraw/zinc/58/72/26/609587226.db2.gz PGYCNZDVNOYGQE-SECBINFHSA-N -2 3 355.362 2.389 20 5 FEBDHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000564058686 674968932 /nfs/dbraw/zinc/96/89/32/674968932.db2.gz UJYIQNZWFDQBCE-MRVPVSSYSA-N -2 3 370.305 2.145 20 5 FEBDHL Cc1oc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1C(=O)[O-] ZINC000543784773 673670316 /nfs/dbraw/zinc/67/03/16/673670316.db2.gz QRPWXYFKPBKXIT-UHFFFAOYSA-N -2 3 360.369 2.043 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([S@@](C)=O)cc1 ZINC000499274806 561547425 /nfs/dbraw/zinc/54/74/25/561547425.db2.gz SESKUPZQVIWJCV-HSZRJFAPSA-N -2 3 370.408 2.147 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000499281459 561547645 /nfs/dbraw/zinc/54/76/45/561547645.db2.gz GDVNWLZYLRQERE-UHFFFAOYSA-N -2 3 356.331 2.041 20 5 FEBDHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000322121026 553767931 /nfs/dbraw/zinc/76/79/31/553767931.db2.gz NHDVPEGVAAUTHC-DGCLKSJQSA-N -2 3 362.791 2.170 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])cc1C ZINC000325520255 553777002 /nfs/dbraw/zinc/77/70/02/553777002.db2.gz DALXEQIECZLPBB-ZFWWWQNUSA-N -2 3 356.400 2.133 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000508256042 561756719 /nfs/dbraw/zinc/75/67/19/561756719.db2.gz USMDPSQJXBMLPV-UHFFFAOYSA-N -2 3 350.352 2.345 20 5 FEBDHL Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000534785386 562542376 /nfs/dbraw/zinc/54/23/76/562542376.db2.gz TZKSLONEMPDITM-UHFFFAOYSA-N -2 3 350.352 2.080 20 5 FEBDHL CS(=O)(=O)[N-]c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000534803217 562542690 /nfs/dbraw/zinc/54/26/90/562542690.db2.gz YAUSVCUUTPUVBK-UHFFFAOYSA-N -2 3 369.330 2.063 20 5 FEBDHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737250138 599039065 /nfs/dbraw/zinc/03/90/65/599039065.db2.gz JJRPNFIWTFJWHV-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737250138 599039068 /nfs/dbraw/zinc/03/90/68/599039068.db2.gz JJRPNFIWTFJWHV-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1C ZINC000822328744 607154446 /nfs/dbraw/zinc/15/44/46/607154446.db2.gz SEHWZTJYXDECLC-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000562968049 674828735 /nfs/dbraw/zinc/82/87/35/674828735.db2.gz MLGKVNXFWKAKLS-GXFFZTMASA-N -2 3 374.390 2.436 20 5 FEBDHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000583428187 672093784 /nfs/dbraw/zinc/09/37/84/672093784.db2.gz JWJHCRHJYQDGAS-ZETCQYMHSA-N -2 3 370.305 2.145 20 5 FEBDHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000548596664 673978393 /nfs/dbraw/zinc/97/83/93/673978393.db2.gz RWHLYWWJJQUPCC-JOYOIKCWSA-N -2 3 362.379 2.292 20 5 FEBDHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000604023639 675802938 /nfs/dbraw/zinc/80/29/38/675802938.db2.gz PBCBHUDALKIOKQ-SNVBAGLBSA-N -2 3 374.371 2.290 20 5 FEBDHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000604399039 675804633 /nfs/dbraw/zinc/80/46/33/675804633.db2.gz MXQZEBJHIMWPFK-SSDOTTSWSA-N -2 3 362.410 2.212 20 5 FEBDHL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1F ZINC000769891217 680998992 /nfs/dbraw/zinc/99/89/92/680998992.db2.gz SNBCIYJRJLOHJJ-UHFFFAOYSA-N -2 3 370.314 2.242 20 5 FEBDHL C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000795389338 683048172 /nfs/dbraw/zinc/04/81/72/683048172.db2.gz UEZHTCZGIZBQCF-QMMMGPOBSA-N -2 3 356.331 2.294 20 5 FEBDHL COc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OC ZINC000021363370 539682972 /nfs/dbraw/zinc/68/29/72/539682972.db2.gz WMQZGEVPHLMTHL-UHFFFAOYSA-N -2 3 354.340 2.118 20 5 FEBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCCCCCC(=O)[O-] ZINC000275207643 330021941 /nfs/dbraw/zinc/02/19/41/330021941.db2.gz HJJPCOJYINRBAV-UHFFFAOYSA-N -2 3 374.415 2.307 20 5 FEBDHL COc1cc([O-])cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000504056505 561652547 /nfs/dbraw/zinc/65/25/47/561652547.db2.gz KAXVUDPMROXVQS-UHFFFAOYSA-N -2 3 354.340 2.118 20 5 FEBDHL Cc1oc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)[O-] ZINC000325009804 553774355 /nfs/dbraw/zinc/77/43/55/553774355.db2.gz BRVWKDOXWOUJHA-UHFFFAOYSA-N -2 3 374.758 2.326 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000508211867 561755470 /nfs/dbraw/zinc/75/54/70/561755470.db2.gz NZDXBTNTVUNIJN-UHFFFAOYSA-N -2 3 366.351 2.181 20 5 FEBDHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000399563797 558628319 /nfs/dbraw/zinc/62/83/19/558628319.db2.gz GHDBGJOUWIMJCF-PELKAZGASA-N -2 3 364.807 2.272 20 5 FEBDHL CC(C)(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000414341275 559157289 /nfs/dbraw/zinc/15/72/89/559157289.db2.gz NYKPZRAWWNTNDX-UHFFFAOYSA-N -2 3 356.400 2.398 20 5 FEBDHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000530367562 562408462 /nfs/dbraw/zinc/40/84/62/562408462.db2.gz LSCOYAUSBBRIMO-SNVBAGLBSA-N -2 3 362.791 2.170 20 5 FEBDHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1CCC1 ZINC000584724158 568576541 /nfs/dbraw/zinc/57/65/41/568576541.db2.gz VRFKOEVEOJBPAW-UHFFFAOYSA-N -2 3 356.400 2.398 20 5 FEBDHL Cc1cc([N-]c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000826271392 609587810 /nfs/dbraw/zinc/58/78/10/609587810.db2.gz PGYCNZDVNOYGQE-VIFPVBQESA-N -2 3 355.362 2.389 20 5 FEBDHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])CC(F)(F)F ZINC000582908343 672045730 /nfs/dbraw/zinc/04/57/30/672045730.db2.gz QYKGMFPHYPTDCA-SSDOTTSWSA-N -2 3 370.305 2.160 20 5 FEBDHL CC1([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])CCCCC1 ZINC000547700411 673882289 /nfs/dbraw/zinc/88/22/89/673882289.db2.gz BKKOJFVQRMPDLK-ZDUSSCGKSA-N -2 3 374.390 2.436 20 5 FEBDHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000484506968 561298886 /nfs/dbraw/zinc/29/88/86/561298886.db2.gz XSUTUOFGURHHGD-UHFFFAOYSA-N -2 3 368.342 2.417 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])c1 ZINC000274943634 550566640 /nfs/dbraw/zinc/56/66/40/550566640.db2.gz GTFMIYWFNHGSJK-SECBINFHSA-N -2 3 364.807 2.336 20 5 FEBDHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000400525839 558629075 /nfs/dbraw/zinc/62/90/75/558629075.db2.gz AHWYXOCPLKTQRV-CABZTGNLSA-N -2 3 358.416 2.379 20 5 FEBDHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)ccc1[N+](=O)[O-] ZINC000826271109 608758004 /nfs/dbraw/zinc/75/80/04/608758004.db2.gz COTRQSKCRPICFG-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL CC1([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])CCCCC1 ZINC000547700410 673882376 /nfs/dbraw/zinc/88/23/76/673882376.db2.gz BKKOJFVQRMPDLK-CYBMUJFWSA-N -2 3 374.390 2.436 20 5 FEBDHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000548526415 673965811 /nfs/dbraw/zinc/96/58/11/673965811.db2.gz XMEJKXBDTYQASK-MRVPVSSYSA-N -2 3 362.410 2.212 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])c1 ZINC000262479095 328868332 /nfs/dbraw/zinc/86/83/32/328868332.db2.gz VOLATWYPPUKMGQ-SECBINFHSA-N -2 3 364.807 2.334 20 5 FEBDHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000275049764 330005356 /nfs/dbraw/zinc/00/53/56/330005356.db2.gz WVMXCOUQTJKABA-QMMMGPOBSA-N -2 3 350.780 2.027 20 5 FEBDHL COC(=O)c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)[n-]c21 ZINC000494097678 561462337 /nfs/dbraw/zinc/46/23/37/561462337.db2.gz WSGDIIOKIHNQIE-UHFFFAOYSA-N -2 3 356.294 2.216 20 5 FEBDHL COC(=O)c1cccc2[n-]c(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)nc21 ZINC000494097678 561462338 /nfs/dbraw/zinc/46/23/38/561462338.db2.gz WSGDIIOKIHNQIE-UHFFFAOYSA-N -2 3 356.294 2.216 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])c1 ZINC000274953749 550567408 /nfs/dbraw/zinc/56/74/08/550567408.db2.gz GSJOAIBNZNELJR-QMMMGPOBSA-N -2 3 364.807 2.336 20 5 FEBDHL COC(=O)c1cccc2nc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)[n-]c21 ZINC000436989383 559958677 /nfs/dbraw/zinc/95/86/77/559958677.db2.gz REJOBASZTOQIGW-UHFFFAOYSA-N -2 3 356.294 2.216 20 5 FEBDHL COC(=O)c1cccc2[n-]c(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)nc21 ZINC000436989383 559958678 /nfs/dbraw/zinc/95/86/78/559958678.db2.gz REJOBASZTOQIGW-UHFFFAOYSA-N -2 3 356.294 2.216 20 5 FEBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000569225009 568315637 /nfs/dbraw/zinc/31/56/37/568315637.db2.gz DTCRTACTEKQUDP-MRVPVSSYSA-N -2 3 364.326 2.007 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000821046070 598083876 /nfs/dbraw/zinc/08/38/76/598083876.db2.gz PNDXYSYKQRMNIU-UHFFFAOYSA-N -3 3 366.351 2.037 20 5 FEBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000566975799 675257714 /nfs/dbraw/zinc/25/77/14/675257714.db2.gz HEGQIRDNOVLNKY-QMMMGPOBSA-N -2 3 364.326 2.007 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c1 ZINC000274943635 329995221 /nfs/dbraw/zinc/99/52/21/329995221.db2.gz GTFMIYWFNHGSJK-VIFPVBQESA-N -2 3 364.807 2.336 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000499155672 561544932 /nfs/dbraw/zinc/54/49/32/561544932.db2.gz MYAPIIUUYJVQBJ-UHFFFAOYSA-N -2 3 360.351 2.353 20 5 FEBDHL Cc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C(=O)[O-] ZINC000324718194 553773577 /nfs/dbraw/zinc/77/35/77/553773577.db2.gz XUPDUNKYUKGDFM-UHFFFAOYSA-N -3 3 352.324 2.108 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)cc1C ZINC000325896415 553778348 /nfs/dbraw/zinc/77/83/48/553778348.db2.gz VEFIBPGMHVAINX-ZDUSSCGKSA-N -2 3 370.408 2.377 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000508218421 561755659 /nfs/dbraw/zinc/75/56/59/561755659.db2.gz HXNKYAOFVXQKHW-UHFFFAOYSA-N -3 3 370.314 2.247 20 5 FEBDHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000520539043 562158549 /nfs/dbraw/zinc/15/85/49/562158549.db2.gz OVXKZZCGKGFYED-NKWVEPMBSA-N -2 3 370.305 2.001 20 5 FEBDHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000520539045 562158585 /nfs/dbraw/zinc/15/85/85/562158585.db2.gz OVXKZZCGKGFYED-RQJHMYQMSA-N -2 3 370.305 2.001 20 5 FEBDHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000391753339 558614802 /nfs/dbraw/zinc/61/48/02/558614802.db2.gz QYPMBFFKUFVTFQ-UHFFFAOYSA-N -2 3 370.770 2.425 20 5 FEBDHL O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc([N+](=O)[O-])cnc1[O-] ZINC000467713266 560915563 /nfs/dbraw/zinc/91/55/63/560915563.db2.gz CPLGYGQWBLXNLE-UHFFFAOYSA-N -2 3 361.264 2.616 20 5 FEBDHL O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000467713266 560915565 /nfs/dbraw/zinc/91/55/65/560915565.db2.gz CPLGYGQWBLXNLE-UHFFFAOYSA-N -2 3 361.264 2.616 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccs1 ZINC000604023609 568200308 /nfs/dbraw/zinc/20/03/08/568200308.db2.gz KQSFPOMUESGCGQ-SNVBAGLBSA-N -2 3 370.408 2.459 20 5 FEBDHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000547933770 601991433 /nfs/dbraw/zinc/99/14/33/601991433.db2.gz OGIJQYUJTNFGMD-WCQYABFASA-N -2 3 374.390 2.436 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826291863 608754418 /nfs/dbraw/zinc/75/44/18/608754418.db2.gz ZEGRXJZEPVTQDF-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826291863 608754421 /nfs/dbraw/zinc/75/44/21/608754421.db2.gz ZEGRXJZEPVTQDF-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC000753771275 680313650 /nfs/dbraw/zinc/31/36/50/680313650.db2.gz NVMISWSXXLDFRA-UHFFFAOYSA-N -2 3 365.367 2.293 20 5 FEBDHL O=C([N-]CC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000798956370 683408515 /nfs/dbraw/zinc/40/85/15/683408515.db2.gz VDIOAIGEODTOHK-UHFFFAOYSA-N -2 3 361.320 2.191 20 5 FEBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000485064763 561311714 /nfs/dbraw/zinc/31/17/14/561311714.db2.gz OWCGDJFBDKUYMI-NSHDSACASA-N -2 3 374.415 2.161 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c1 ZINC000274982402 550569264 /nfs/dbraw/zinc/56/92/64/550569264.db2.gz LSMAAOBPLXUZFR-VIFPVBQESA-N -2 3 364.807 2.478 20 5 FEBDHL Cc1oc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000281757692 551139835 /nfs/dbraw/zinc/13/98/35/551139835.db2.gz GBISTJVHVXONGC-UHFFFAOYSA-N -2 3 368.367 2.290 20 5 FEBDHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000317470073 553762393 /nfs/dbraw/zinc/76/23/93/553762393.db2.gz ZQJSHHLJXHFNCG-QMMMGPOBSA-N -2 3 350.780 2.170 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])cc1C ZINC000325520252 553776911 /nfs/dbraw/zinc/77/69/11/553776911.db2.gz DALXEQIECZLPBB-HIFRSBDPSA-N -2 3 356.400 2.133 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1cccc(C(=O)[O-])c1 ZINC000327319215 553788188 /nfs/dbraw/zinc/78/81/88/553788188.db2.gz QMWMFCREVCTWHZ-UHFFFAOYSA-N -2 3 364.379 2.122 20 5 FEBDHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000327651150 553790631 /nfs/dbraw/zinc/79/06/31/553790631.db2.gz VPTLDIJQOCERDL-UHFFFAOYSA-N -3 3 366.351 2.416 20 5 FEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)c1C ZINC000519534597 562133901 /nfs/dbraw/zinc/13/39/01/562133901.db2.gz BKLBAYXKXOHOJY-WCQYABFASA-N -2 3 358.416 2.235 20 5 FEBDHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000392128629 558615941 /nfs/dbraw/zinc/61/59/41/558615941.db2.gz JZWMQMRBTJLODF-UHFFFAOYSA-N -2 3 354.315 2.374 20 5 FEBDHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000399585826 558628178 /nfs/dbraw/zinc/62/81/78/558628178.db2.gz NGVLKADWMPOYCQ-PRHODGIISA-N -2 3 364.807 2.272 20 5 FEBDHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCC1 ZINC000414339449 559157252 /nfs/dbraw/zinc/15/72/52/559157252.db2.gz SUJYUVXSJNOEQY-UHFFFAOYSA-N -2 3 356.400 2.398 20 5 FEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c1C ZINC000530526103 562414651 /nfs/dbraw/zinc/41/46/51/562414651.db2.gz XGSRZRPPBDIANJ-GFCCVEGCSA-N -2 3 356.400 2.133 20 5 FEBDHL CC[C@]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000736922931 600136775 /nfs/dbraw/zinc/13/67/75/600136775.db2.gz CNMXQQJOENBCCS-MRXNPFEDSA-N -2 3 364.379 2.263 20 5 FEBDHL C[C@@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000547908965 601128179 /nfs/dbraw/zinc/12/81/79/601128179.db2.gz YLODDYBHXVWTFS-ABAIWWIYSA-N -2 3 364.379 2.335 20 5 FEBDHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000828672850 601479711 /nfs/dbraw/zinc/47/97/11/601479711.db2.gz WVDMOAOWSFAFCZ-GFCCVEGCSA-N -2 3 350.780 2.170 20 5 FEBDHL Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826272429 608757370 /nfs/dbraw/zinc/75/73/70/608757370.db2.gz IZWSHUUQLILZQP-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000571556782 670892271 /nfs/dbraw/zinc/89/22/71/670892271.db2.gz UPMBLADOJXHJFA-LLVKDONJSA-N -2 3 370.305 2.145 20 5 FEBDHL CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2C1 ZINC000783867913 682183124 /nfs/dbraw/zinc/18/31/24/682183124.db2.gz WERHXHVUWKVKKQ-CYBMUJFWSA-N -2 3 364.379 2.215 20 5 FEBDHL CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(=O)[O-] ZINC000274931539 329993924 /nfs/dbraw/zinc/99/39/24/329993924.db2.gz COPOFNOKQUDNTK-UHFFFAOYSA-N -2 3 350.780 2.027 20 5 FEBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C ZINC000275087891 330009169 /nfs/dbraw/zinc/00/91/69/330009169.db2.gz ZXPQRCGGMXWYNI-JTQLQIEISA-N -2 3 374.415 2.161 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC000479196119 561184215 /nfs/dbraw/zinc/18/42/15/561184215.db2.gz RQYDSYPQUFMNRK-ZDUSSCGKSA-N -2 3 364.379 2.316 20 5 FEBDHL Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000485907847 561332054 /nfs/dbraw/zinc/33/20/54/561332054.db2.gz PYBMHQCLLSYLFN-UHFFFAOYSA-N -2 3 370.321 2.495 20 5 FEBDHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000499155468 561544859 /nfs/dbraw/zinc/54/48/59/561544859.db2.gz LOFFTHBZFQFSMP-UHFFFAOYSA-N -2 3 368.342 2.417 20 5 FEBDHL O=C([N-]c1nnc(C2CCOCC2)s1)c1cccc([O-])c1[N+](=O)[O-] ZINC000294330903 552897781 /nfs/dbraw/zinc/89/77/81/552897781.db2.gz PVHDADACYIOHTI-UHFFFAOYSA-N -2 3 350.356 2.298 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000325644356 553777378 /nfs/dbraw/zinc/77/73/78/553777378.db2.gz XDIWMEDCZSBHPH-IUODEOHRSA-N -2 3 356.400 2.215 20 5 FEBDHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000436660581 559948041 /nfs/dbraw/zinc/94/80/41/559948041.db2.gz ABZCZILEUUXVFS-UHFFFAOYSA-N -2 3 366.351 2.196 20 5 FEBDHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000828678403 601480071 /nfs/dbraw/zinc/48/00/71/601480071.db2.gz SOHHFDAJCLBFFL-GFCCVEGCSA-N -2 3 350.780 2.170 20 5 FEBDHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000032797847 539953668 /nfs/dbraw/zinc/95/36/68/539953668.db2.gz CSLWGQWQDMBDSN-UHFFFAOYSA-N -2 3 351.340 2.060 20 5 FEBDHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261861853 328825112 /nfs/dbraw/zinc/82/51/12/328825112.db2.gz FZEYYYGUMYIIGE-UHFFFAOYSA-N -2 3 350.780 2.170 20 5 FEBDHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000261700713 549744791 /nfs/dbraw/zinc/74/47/91/549744791.db2.gz OAPVNQQNMMNXMB-SNVBAGLBSA-N -2 3 370.305 2.001 20 5 FEBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000324775170 553773559 /nfs/dbraw/zinc/77/35/59/553773559.db2.gz FMMAAADSOBNYEK-CYBMUJFWSA-N -2 3 370.770 2.352 20 5 FEBDHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC(=O)[O-] ZINC000325151500 553775238 /nfs/dbraw/zinc/77/52/38/553775238.db2.gz PRZNHRQSBGUBQE-JTQLQIEISA-N -2 3 362.379 2.149 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-] ZINC000325562545 553776960 /nfs/dbraw/zinc/77/69/60/553776960.db2.gz MWJYNVKWUZLCKV-UHFFFAOYSA-N -2 3 358.416 2.463 20 5 FEBDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)ccc1[O-] ZINC000326453445 553781240 /nfs/dbraw/zinc/78/12/40/553781240.db2.gz DSRXPXXUPHUOKJ-UHFFFAOYSA-N -2 3 366.351 2.196 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000392196001 558616410 /nfs/dbraw/zinc/61/64/10/558616410.db2.gz COHUYTCRXOJNQE-UHFFFAOYSA-N -2 3 364.379 2.388 20 5 FEBDHL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000432181238 559853504 /nfs/dbraw/zinc/85/35/04/559853504.db2.gz ZOBYNEVVWLTFRP-UHFFFAOYSA-N -2 3 358.278 2.372 20 5 FEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826451306 609285574 /nfs/dbraw/zinc/28/55/74/609285574.db2.gz ADGOKUJNUKJUGX-UHFFFAOYSA-N -2 3 360.717 2.386 20 5 FEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826451306 609285575 /nfs/dbraw/zinc/28/55/75/609285575.db2.gz ADGOKUJNUKJUGX-UHFFFAOYSA-N -2 3 360.717 2.386 20 5 FEBDHL CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2C1 ZINC000783867914 682183133 /nfs/dbraw/zinc/18/31/33/682183133.db2.gz WERHXHVUWKVKKQ-ZDUSSCGKSA-N -2 3 364.379 2.215 20 5 FEBDHL O=C([O-])[C@@H]1CN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000192942846 328348002 /nfs/dbraw/zinc/34/80/02/328348002.db2.gz YBPPTUOBSQYKFJ-GFCCVEGCSA-N -2 3 352.306 2.300 20 5 FEBDHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000261805684 328820971 /nfs/dbraw/zinc/82/09/71/328820971.db2.gz VFGWJVFLDFSVKV-VIFPVBQESA-N -2 3 364.807 2.273 20 5 FEBDHL CCCC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC000262442689 328866111 /nfs/dbraw/zinc/86/61/11/328866111.db2.gz PYGJOZHCXOGULP-VIFPVBQESA-N -2 3 364.807 2.478 20 5 FEBDHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261624121 549735436 /nfs/dbraw/zinc/73/54/36/549735436.db2.gz GYKJVBGJOAYFJN-SECBINFHSA-N -2 3 350.780 2.026 20 5 FEBDHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000274921633 550565015 /nfs/dbraw/zinc/56/50/15/550565015.db2.gz BHBNJGWTDZBPDK-GFCCVEGCSA-N -2 3 350.780 2.027 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000499270722 561547326 /nfs/dbraw/zinc/54/73/26/561547326.db2.gz HBCOFBKVRVKEMI-UHFFFAOYSA-N -3 3 370.314 2.247 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC000392044308 558615772 /nfs/dbraw/zinc/61/57/72/558615772.db2.gz FNISKFJMUAMEAM-CYBMUJFWSA-N -2 3 358.416 2.379 20 5 FEBDHL COc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000392853846 558619603 /nfs/dbraw/zinc/61/96/03/558619603.db2.gz YNLSECOFOVOAIM-SNVBAGLBSA-N -2 3 374.415 2.161 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)cc1C ZINC000399653793 558628187 /nfs/dbraw/zinc/62/81/87/558628187.db2.gz NTSBEYXROGFXLM-SMDDNHRTSA-N -2 3 358.416 2.235 20 5 FEBDHL CSc1ccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000738200099 600628136 /nfs/dbraw/zinc/62/81/36/600628136.db2.gz RMCACUHFHBVCFO-UHFFFAOYSA-N -2 3 368.396 2.438 20 5 FEBDHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000604399040 675804516 /nfs/dbraw/zinc/80/45/16/675804516.db2.gz MXQZEBJHIMWPFK-ZETCQYMHSA-N -2 3 362.410 2.212 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000479193738 561183986 /nfs/dbraw/zinc/18/39/86/561183986.db2.gz LGIOBAJFEUPESN-UHFFFAOYSA-N -2 3 364.379 2.388 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000480245219 561205725 /nfs/dbraw/zinc/20/57/25/561205725.db2.gz YVKAFAOPUCMOGX-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000480245219 561205726 /nfs/dbraw/zinc/20/57/26/561205726.db2.gz YVKAFAOPUCMOGX-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000499156975 561544916 /nfs/dbraw/zinc/54/49/16/561544916.db2.gz RGSUCWBWGZSZNX-UHFFFAOYSA-N -3 3 370.314 2.247 20 5 FEBDHL CC(C)(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000319580858 553763882 /nfs/dbraw/zinc/76/38/82/553763882.db2.gz SDJFFYDSGAAXKF-UHFFFAOYSA-N -2 3 350.780 2.027 20 5 FEBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1 ZINC000414344330 559157515 /nfs/dbraw/zinc/15/75/15/559157515.db2.gz ZIKSHEIHGFPKNN-SECBINFHSA-N -2 3 364.326 2.007 20 5 FEBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1 ZINC000414345745 559157684 /nfs/dbraw/zinc/15/76/84/559157684.db2.gz PEUHDEYKFHSXBU-MRVPVSSYSA-N -2 3 364.326 2.007 20 5 FEBDHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000013195108 601318751 /nfs/dbraw/zinc/31/87/51/601318751.db2.gz YVEDGXLMWRGMSK-UHFFFAOYSA-N -2 3 365.367 2.293 20 5 FEBDHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594848497 673161764 /nfs/dbraw/zinc/16/17/64/673161764.db2.gz MVFSDKZCNVNXSD-RNCFNFMXSA-N -2 3 374.390 2.292 20 5 FEBDHL O=C(CNC(=O)c1ccc([O-])cc1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000543678434 673661307 /nfs/dbraw/zinc/66/13/07/673661307.db2.gz NQEYRXGQEMNVSF-UHFFFAOYSA-N -2 3 365.729 2.028 20 5 FEBDHL CC(C)(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000548218391 673936591 /nfs/dbraw/zinc/93/65/91/673936591.db2.gz YJDOTEZHUKPYFN-UHFFFAOYSA-N -2 3 364.807 2.418 20 5 FEBDHL CC1(C)CC[C@]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)(C(=O)[O-])C1 ZINC000551916013 674172775 /nfs/dbraw/zinc/17/27/75/674172775.db2.gz OKRMROIPGBHBFO-CQSZACIVSA-N -2 3 360.363 2.046 20 5 FEBDHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000261612711 328805354 /nfs/dbraw/zinc/80/53/54/328805354.db2.gz FEXCHVHFJDYJOT-SNVBAGLBSA-N -2 3 350.780 2.026 20 5 FEBDHL Cc1sc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000484788399 561306079 /nfs/dbraw/zinc/30/60/79/561306079.db2.gz YCLXKRCGVRETGI-LBPRGKRZSA-N -2 3 356.381 2.069 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000485052963 561311449 /nfs/dbraw/zinc/31/14/49/561311449.db2.gz FIZCUDWOUXENOL-NSHDSACASA-N -2 3 358.416 2.461 20 5 FEBDHL Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000486882542 561358918 /nfs/dbraw/zinc/35/89/18/561358918.db2.gz COWSJOOHXCOWES-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000486882542 561358919 /nfs/dbraw/zinc/35/89/19/561358919.db2.gz COWSJOOHXCOWES-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])cc1 ZINC000325116310 553775283 /nfs/dbraw/zinc/77/52/83/553775283.db2.gz NKKFMEYTPVICPK-UHFFFAOYSA-N -2 3 350.352 2.080 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000325646754 553777415 /nfs/dbraw/zinc/77/74/15/553777415.db2.gz XPJYUWHRWWTGBK-NWDGAFQWSA-N -2 3 358.416 2.461 20 5 FEBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCCC1 ZINC000326779645 553783068 /nfs/dbraw/zinc/78/30/68/553783068.db2.gz TZSMENBDALCWMK-UHFFFAOYSA-N -2 3 372.399 2.059 20 5 FEBDHL Cc1ccc(C(=O)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c([O-])c1 ZINC000436974800 559958053 /nfs/dbraw/zinc/95/80/53/559958053.db2.gz BYRXGHATVYOOLF-UHFFFAOYSA-N -2 3 359.338 2.073 20 5 FEBDHL COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)ccc1[N+](=O)[O-] ZINC000468785967 560938681 /nfs/dbraw/zinc/93/86/81/560938681.db2.gz BLAIXONCKMLGLF-UHFFFAOYSA-N -2 3 370.314 2.242 20 5 FEBDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000471112675 560998562 /nfs/dbraw/zinc/99/85/62/560998562.db2.gz NNEAKNPHEOYCLT-UHFFFAOYSA-N -2 3 358.278 2.372 20 5 FEBDHL Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c1 ZINC000738663943 601024654 /nfs/dbraw/zinc/02/46/54/601024654.db2.gz GEQIUMZCWBELHB-UHFFFAOYSA-N -2 3 350.356 2.414 20 5 FEBDHL O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826401753 608166598 /nfs/dbraw/zinc/16/65/98/608166598.db2.gz GAKRAKHQDTYBNB-YVMONPNESA-N -2 3 352.310 2.132 20 5 FEBDHL O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826401753 608166600 /nfs/dbraw/zinc/16/66/00/608166600.db2.gz GAKRAKHQDTYBNB-YVMONPNESA-N -2 3 352.310 2.132 20 5 FEBDHL O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826401752 608166913 /nfs/dbraw/zinc/16/69/13/608166913.db2.gz GAKRAKHQDTYBNB-VMPITWQZSA-N -2 3 352.310 2.132 20 5 FEBDHL O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826401752 608166914 /nfs/dbraw/zinc/16/69/14/608166914.db2.gz GAKRAKHQDTYBNB-VMPITWQZSA-N -2 3 352.310 2.132 20 5 FEBDHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000570421512 670711816 /nfs/dbraw/zinc/71/18/16/670711816.db2.gz DYPOLFHLFAYGSM-JTQLQIEISA-N -2 3 370.305 2.001 20 5 FEBDHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC1CCCC1 ZINC000776550976 681403591 /nfs/dbraw/zinc/40/35/91/681403591.db2.gz DWWBKRXOSBWJPY-NSHDSACASA-N -2 3 374.390 2.293 20 5 FEBDHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000274925502 329993422 /nfs/dbraw/zinc/99/34/22/329993422.db2.gz BOUGOXXQSFRYQM-SSDOTTSWSA-N -2 3 370.305 2.145 20 5 FEBDHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000324197132 553771575 /nfs/dbraw/zinc/77/15/75/553771575.db2.gz MAJRHGLEWVGHBS-UHFFFAOYSA-N -2 3 354.315 2.374 20 5 FEBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000327474826 553789143 /nfs/dbraw/zinc/78/91/43/553789143.db2.gz GYEUICOXEARBPC-MNOVXSKESA-N -2 3 374.415 2.161 20 5 FEBDHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC000327658634 553790549 /nfs/dbraw/zinc/79/05/49/553790549.db2.gz XZTLSYMZOVXNAW-UHFFFAOYSA-N -2 3 370.314 2.242 20 5 FEBDHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000392461900 558617921 /nfs/dbraw/zinc/61/79/21/558617921.db2.gz MMMIHRJWQFXIQA-NXEZZACHSA-N -2 3 362.379 2.292 20 5 FEBDHL COc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000392853844 558619369 /nfs/dbraw/zinc/61/93/69/558619369.db2.gz YNLSECOFOVOAIM-JTQLQIEISA-N -2 3 374.415 2.161 20 5 FEBDHL CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1F ZINC000436951349 559957185 /nfs/dbraw/zinc/95/71/85/559957185.db2.gz PXAOJKIJOHXJHT-UHFFFAOYSA-N -2 3 369.330 2.063 20 5 FEBDHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000569313469 568368444 /nfs/dbraw/zinc/36/84/44/568368444.db2.gz KAQVJPCVRLMNIR-RQJHMYQMSA-N -2 3 370.305 2.001 20 5 FEBDHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000833028872 601217814 /nfs/dbraw/zinc/21/78/14/601217814.db2.gz RLBXDOYCDKSGOK-MRVPVSSYSA-N -2 3 354.340 2.234 20 5 FEBDHL Cc1ccc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1 ZINC000822232111 607154181 /nfs/dbraw/zinc/15/41/81/607154181.db2.gz UEZSZZRQNNAKMQ-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCOC2 ZINC000594697587 673118470 /nfs/dbraw/zinc/11/84/70/673118470.db2.gz ZZNZAXMHIDPPOF-UHFFFAOYSA-N -2 3 364.379 2.482 20 5 FEBDHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000548198149 673932983 /nfs/dbraw/zinc/93/29/83/673932983.db2.gz GZBZHQSKLUVOOL-NSHDSACASA-N -2 3 374.371 2.290 20 5 FEBDHL Cc1cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1F ZINC000763278138 680778329 /nfs/dbraw/zinc/77/83/29/680778329.db2.gz ITDXRYFODWORKJ-UHFFFAOYSA-N -2 3 369.330 2.124 20 5 FEBDHL Cc1cc2c(cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C)OCO2 ZINC000781116043 681903227 /nfs/dbraw/zinc/90/32/27/681903227.db2.gz XLSATMAYVXJMNP-UHFFFAOYSA-N -2 3 366.351 2.447 20 5 FEBDHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000322243761 553767966 /nfs/dbraw/zinc/76/79/66/553767966.db2.gz LSVPLOZLEHBKIL-UHFFFAOYSA-N -2 3 362.791 2.172 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccc(C(=O)[O-])c1 ZINC000324613565 553773105 /nfs/dbraw/zinc/77/31/05/553773105.db2.gz LMUISCXKVRBJQR-UHFFFAOYSA-N -2 3 350.352 2.080 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC000324857550 553773945 /nfs/dbraw/zinc/77/39/45/553773945.db2.gz GFTVYEROFSMSBS-LBPRGKRZSA-N -2 3 358.416 2.319 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000508229626 561756048 /nfs/dbraw/zinc/75/60/48/561756048.db2.gz ADBNCQBREJCYJF-UHFFFAOYSA-N -3 3 370.314 2.247 20 5 FEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)ccc1[O-] ZINC000028809880 670092930 /nfs/dbraw/zinc/09/29/30/670092930.db2.gz KGSUJHGGNCWPBQ-UHFFFAOYSA-N -2 3 374.277 2.423 20 5 FEBDHL COc1cc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c([N+](=O)[O-])cc1[O-] ZINC000573370815 671114644 /nfs/dbraw/zinc/11/46/44/671114644.db2.gz MNBMGYAYTVPIKX-ZETCQYMHSA-N -2 3 353.356 2.315 20 5 FEBDHL C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852756449 682336098 /nfs/dbraw/zinc/33/60/98/682336098.db2.gz JEPRTDLOYKWEJT-SKDRFNHKSA-N -2 3 361.320 2.189 20 5 FEBDHL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000551034198 674121299 /nfs/dbraw/zinc/12/12/99/674121299.db2.gz MRMPZPRICJCVTB-UHFFFAOYSA-N -2 3 365.367 2.450 20 5 FEBDHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC000262367108 328861558 /nfs/dbraw/zinc/86/15/58/328861558.db2.gz DTBOXAHAKQFOBK-MRVPVSSYSA-N -2 3 350.780 2.088 20 5 FEBDHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000275038281 330004148 /nfs/dbraw/zinc/00/41/48/330004148.db2.gz VAKOIUCRVNKRBJ-MRVPVSSYSA-N -2 3 350.780 2.170 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c1 ZINC000275079040 330008251 /nfs/dbraw/zinc/00/82/51/330008251.db2.gz YEYCYOXZQCRLPO-QMMMGPOBSA-N -2 3 350.780 2.088 20 5 FEBDHL O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000503946659 561650431 /nfs/dbraw/zinc/65/04/31/561650431.db2.gz RFMZHRZODPYLSM-UHFFFAOYSA-N -2 3 357.301 2.401 20 5 FEBDHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000319244823 553763776 /nfs/dbraw/zinc/76/37/76/553763776.db2.gz XMAMVUOKXLUBJO-QMMMGPOBSA-N -2 3 350.780 2.027 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000521863062 562185173 /nfs/dbraw/zinc/18/51/73/562185173.db2.gz RBTZWFJYDZIXTL-NEPJUHHUSA-N -2 3 358.416 2.235 20 5 FEBDHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000386426554 558607287 /nfs/dbraw/zinc/60/72/87/558607287.db2.gz QDKWDPSYSZJNJQ-UHFFFAOYSA-N -2 3 350.780 2.172 20 5 FEBDHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000392461902 558617716 /nfs/dbraw/zinc/61/77/16/558617716.db2.gz MMMIHRJWQFXIQA-VHSXEESVSA-N -2 3 362.379 2.292 20 5 FEBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1 ZINC000414344334 559157569 /nfs/dbraw/zinc/15/75/69/559157569.db2.gz ZIKSHEIHGFPKNN-VIFPVBQESA-N -2 3 364.326 2.007 20 5 FEBDHL Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N(C)c1cccc([O-])c1 ZINC000532290868 562472907 /nfs/dbraw/zinc/47/29/07/562472907.db2.gz CAMGUPNIYRAZRK-UHFFFAOYSA-N -2 3 366.351 2.132 20 5 FEBDHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737389961 599040436 /nfs/dbraw/zinc/04/04/36/599040436.db2.gz NQOMMPCRCJHOJV-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737389961 599040438 /nfs/dbraw/zinc/04/04/38/599040438.db2.gz NQOMMPCRCJHOJV-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL CC[C@@]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000736922928 600136809 /nfs/dbraw/zinc/13/68/09/600136809.db2.gz CNMXQQJOENBCCS-INIZCTEOSA-N -2 3 364.379 2.263 20 5 FEBDHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000583428186 672093700 /nfs/dbraw/zinc/09/37/00/672093700.db2.gz JWJHCRHJYQDGAS-SSDOTTSWSA-N -2 3 370.305 2.145 20 5 FEBDHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)(CC(=O)[O-])C1 ZINC000548556512 673971261 /nfs/dbraw/zinc/97/12/61/673971261.db2.gz XMWFFVVTLAVNSB-ZUZCIYMTSA-N -2 3 374.390 2.293 20 5 FEBDHL Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000275002802 330001177 /nfs/dbraw/zinc/00/11/77/330001177.db2.gz ONKYJRQKTWXIIH-VIFPVBQESA-N -2 3 364.807 2.478 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000325436008 553776182 /nfs/dbraw/zinc/77/61/82/553776182.db2.gz BKIYJJFFKSNARG-NEPJUHHUSA-N -2 3 356.400 2.215 20 5 FEBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCCC1 ZINC000326663827 553782453 /nfs/dbraw/zinc/78/24/53/553782453.db2.gz GHQNIKUQOLVQRL-UHFFFAOYSA-N -2 3 372.399 2.059 20 5 FEBDHL COc1ccccc1-c1cc(=NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[nH][n-]1 ZINC000618368844 555626627 /nfs/dbraw/zinc/62/66/27/555626627.db2.gz BPROLHVOEWSLBK-UHFFFAOYSA-N -2 3 355.310 2.346 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1ccccc1C(=O)[O-] ZINC000392596064 558618068 /nfs/dbraw/zinc/61/80/68/558618068.db2.gz CNRJBOJYCKWGHD-UHFFFAOYSA-N -2 3 364.379 2.122 20 5 FEBDHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)ccc1[O-] ZINC000475796394 561105622 /nfs/dbraw/zinc/10/56/22/561105622.db2.gz ZFQMZTIUQPSSGK-UHFFFAOYSA-N -2 3 369.330 2.199 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C ZINC000737362761 599040605 /nfs/dbraw/zinc/04/06/05/599040605.db2.gz VCFVZKSKRFZDQX-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C ZINC000737362761 599040607 /nfs/dbraw/zinc/04/06/07/599040607.db2.gz VCFVZKSKRFZDQX-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL CCOC(=O)c1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c([O-])c1 ZINC000737155168 600578573 /nfs/dbraw/zinc/57/85/73/600578573.db2.gz KXMWLIGXAURUGD-UHFFFAOYSA-N -2 3 374.305 2.428 20 5 FEBDHL CC[C@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000571556783 670892184 /nfs/dbraw/zinc/89/21/84/670892184.db2.gz UPMBLADOJXHJFA-NSHDSACASA-N -2 3 370.305 2.145 20 5 FEBDHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1F ZINC000581860671 671942709 /nfs/dbraw/zinc/94/27/09/671942709.db2.gz GLJOWBNZLKFUJR-UHFFFAOYSA-N -2 3 354.315 2.374 20 5 FEBDHL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000547896076 673899596 /nfs/dbraw/zinc/89/95/96/673899596.db2.gz KAPSOLAAEHLRJO-GFCCVEGCSA-N -2 3 360.363 2.046 20 5 FEBDHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c(F)cc1F ZINC000761250150 680716827 /nfs/dbraw/zinc/71/68/27/680716827.db2.gz QNNKUNDWCRRSLP-UHFFFAOYSA-N -2 3 372.305 2.050 20 5 FEBDHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000793352149 682884328 /nfs/dbraw/zinc/88/43/28/682884328.db2.gz GWZQHRZVVNMTTO-UHFFFAOYSA-N -2 3 369.330 2.124 20 5 FEBDHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000013195554 539584064 /nfs/dbraw/zinc/58/40/64/539584064.db2.gz DPFXEKVUOQHFOV-GFCCVEGCSA-N -2 3 350.352 2.089 20 5 FEBDHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000325039006 553775027 /nfs/dbraw/zinc/77/50/27/553775027.db2.gz OWPPONZFSVIMJV-UHFFFAOYSA-N -2 3 354.315 2.374 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1C ZINC000325520253 553776996 /nfs/dbraw/zinc/77/69/96/553776996.db2.gz DALXEQIECZLPBB-UKRRQHHQSA-N -2 3 356.400 2.133 20 5 FEBDHL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000514982390 561990186 /nfs/dbraw/zinc/99/01/86/561990186.db2.gz VLJZSGJGGYKTEX-UHFFFAOYSA-N -2 3 369.330 2.199 20 5 FEBDHL Cc1ccc(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000515277351 562003101 /nfs/dbraw/zinc/00/31/01/562003101.db2.gz USFFNPPUHUJXIK-NEPJUHHUSA-N -2 3 356.400 2.215 20 5 FEBDHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000399563798 558628164 /nfs/dbraw/zinc/62/81/64/558628164.db2.gz GHDBGJOUWIMJCF-PRHODGIISA-N -2 3 364.807 2.272 20 5 FEBDHL Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000463445009 560814933 /nfs/dbraw/zinc/81/49/33/560814933.db2.gz PEEFZEPFFOFEJL-UHFFFAOYSA-N -3 3 366.351 2.416 20 5 FEBDHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000476397971 561118428 /nfs/dbraw/zinc/11/84/28/561118428.db2.gz OIOVDFZHFVNURM-UHFFFAOYSA-N -3 3 366.351 2.416 20 5 FEBDHL CCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000564058687 674969041 /nfs/dbraw/zinc/96/90/41/674969041.db2.gz UJYIQNZWFDQBCE-QMMMGPOBSA-N -2 3 370.305 2.145 20 5 FEBDHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-])C1CC1 ZINC000548862700 674002161 /nfs/dbraw/zinc/00/21/61/674002161.db2.gz YEBQSZYCKRMJFK-KRTXAFLBSA-N -2 3 362.791 2.026 20 5 FEBDHL Cc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000603552473 675799893 /nfs/dbraw/zinc/79/98/93/675799893.db2.gz KGTWTPRXPDQEHS-ZDUSSCGKSA-N -2 3 364.379 2.398 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c1 ZINC000275078358 330008195 /nfs/dbraw/zinc/00/81/95/330008195.db2.gz YEYCYOXZQCRLPO-MRVPVSSYSA-N -2 3 350.780 2.088 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000478681573 561172555 /nfs/dbraw/zinc/17/25/55/561172555.db2.gz PDVKFNOBZDZIAP-UHFFFAOYSA-N -2 3 350.352 2.345 20 5 FEBDHL O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1)OCCO2 ZINC000504286333 561655553 /nfs/dbraw/zinc/65/55/53/561655553.db2.gz LXZBTWQYEVNIII-UHFFFAOYSA-N -2 3 370.314 2.012 20 5 FEBDHL Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)n1 ZINC000365632272 555627467 /nfs/dbraw/zinc/62/74/67/555627467.db2.gz BKVPYMZKIRTMPA-UHFFFAOYSA-N -2 3 367.321 2.419 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(CC(=O)[O-])CCCCC1 ZINC000392509428 558617642 /nfs/dbraw/zinc/61/76/42/558617642.db2.gz UQVQGWQERHKMAT-UHFFFAOYSA-N -2 3 356.400 2.359 20 5 FEBDHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1F ZINC000392874992 558619419 /nfs/dbraw/zinc/61/94/19/558619419.db2.gz DHLPHSVOAJDAAR-UHFFFAOYSA-N -2 3 354.315 2.374 20 5 FEBDHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000400525841 558629175 /nfs/dbraw/zinc/62/91/75/558629175.db2.gz AHWYXOCPLKTQRV-SKDRFNHKSA-N -2 3 358.416 2.379 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000544646884 605142429 /nfs/dbraw/zinc/14/24/29/605142429.db2.gz ZAMJKZBKFXYTJU-UHFFFAOYSA-N -3 3 352.324 2.108 20 5 FEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826461757 607916494 /nfs/dbraw/zinc/91/64/94/607916494.db2.gz FYVMIKZPUSCFGC-RQOWECAXSA-N -2 3 356.273 2.178 20 5 FEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826461757 607916495 /nfs/dbraw/zinc/91/64/95/607916495.db2.gz FYVMIKZPUSCFGC-RQOWECAXSA-N -2 3 356.273 2.178 20 5 FEBDHL CC[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000591243124 672661230 /nfs/dbraw/zinc/66/12/30/672661230.db2.gz ZIWAVCIYEPIAPL-SSDOTTSWSA-N -2 3 370.305 2.003 20 5 FEBDHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-])C1CC1 ZINC000548862699 674002000 /nfs/dbraw/zinc/00/20/00/674002000.db2.gz YEBQSZYCKRMJFK-JVXZTZIISA-N -2 3 362.791 2.026 20 5 FEBDHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000530368259 562408528 /nfs/dbraw/zinc/40/85/28/562408528.db2.gz CIDVJTGLXJCXJW-NSHDSACASA-N -2 3 362.791 2.170 20 5 FEBDHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c([N+](=O)[O-])c1 ZINC000504229118 561654695 /nfs/dbraw/zinc/65/46/95/561654695.db2.gz DKROAUHELJHWGC-UHFFFAOYSA-N -2 3 370.314 2.027 20 5 FEBDHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000317311129 553762335 /nfs/dbraw/zinc/76/23/35/553762335.db2.gz BHFAGROTCOIKFY-LBPRGKRZSA-N -2 3 350.780 2.027 20 5 FEBDHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000325969531 553778814 /nfs/dbraw/zinc/77/88/14/553778814.db2.gz UWFDJTYJEXRGNT-UHFFFAOYSA-N -2 3 354.315 2.374 20 5 FEBDHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1 ZINC000508209911 561755254 /nfs/dbraw/zinc/75/52/54/561755254.db2.gz DLSQRUFSJDLGTM-UHFFFAOYSA-N -2 3 365.367 2.368 20 5 FEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)c1C ZINC000519534585 562133813 /nfs/dbraw/zinc/13/38/13/562133813.db2.gz BKLBAYXKXOHOJY-AAEUAGOBSA-N -2 3 358.416 2.235 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC000392044314 558615625 /nfs/dbraw/zinc/61/56/25/558615625.db2.gz FNISKFJMUAMEAM-ZDUSSCGKSA-N -2 3 358.416 2.379 20 5 FEBDHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000530368258 562408431 /nfs/dbraw/zinc/40/84/31/562408431.db2.gz CIDVJTGLXJCXJW-LLVKDONJSA-N -2 3 362.791 2.170 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000547243121 605148949 /nfs/dbraw/zinc/14/89/49/605148949.db2.gz OJZPUQROVBJTQX-UHFFFAOYSA-N -3 3 366.351 2.037 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)[O-])c1 ZINC000833747257 605152463 /nfs/dbraw/zinc/15/24/63/605152463.db2.gz UUFVWYWXWKPPQW-UHFFFAOYSA-N -3 3 367.339 2.500 20 5 FEBDHL C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833572651 605246620 /nfs/dbraw/zinc/24/66/20/605246620.db2.gz WLPXQPIFUDNWHD-QMTHXVAHSA-N -2 3 360.363 2.046 20 5 FEBDHL C[C@H]([C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000548862617 674002169 /nfs/dbraw/zinc/00/21/69/674002169.db2.gz IDJMXNIIXRIUHM-MADCSZMMSA-N -2 3 362.791 2.026 20 5 FEBDHL C[C@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000840785071 680842528 /nfs/dbraw/zinc/84/25/28/680842528.db2.gz LZTMGBNWJZXXSC-SSDOTTSWSA-N -2 3 370.305 2.003 20 5 FEBDHL O=c1ccc2cc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2o1 ZINC000919958780 683309632 /nfs/dbraw/zinc/30/96/32/683309632.db2.gz JMXJMEKLFALBQT-UHFFFAOYSA-N -2 3 362.319 2.208 20 5 FEBDHL Cc1sc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000484582097 561300596 /nfs/dbraw/zinc/30/05/96/561300596.db2.gz HGRIOAKTHPJWAT-UHFFFAOYSA-N -2 3 356.381 2.141 20 5 FEBDHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000261700711 549745200 /nfs/dbraw/zinc/74/52/00/549745200.db2.gz OAPVNQQNMMNXMB-JTQLQIEISA-N -2 3 370.305 2.001 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c1 ZINC000274982400 550569301 /nfs/dbraw/zinc/56/93/01/550569301.db2.gz LSMAAOBPLXUZFR-SECBINFHSA-N -2 3 364.807 2.478 20 5 FEBDHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000317311128 553762226 /nfs/dbraw/zinc/76/22/26/553762226.db2.gz BHFAGROTCOIKFY-GFCCVEGCSA-N -2 3 350.780 2.027 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccc1 ZINC000392267711 558616841 /nfs/dbraw/zinc/61/68/41/558616841.db2.gz YOTBYBAQINKJOS-ZDUSSCGKSA-N -2 3 364.379 2.398 20 5 FEBDHL O=C([O-])COc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000532002314 562463705 /nfs/dbraw/zinc/46/37/05/562463705.db2.gz ZKWFVYHTKSAYIC-UHFFFAOYSA-N -2 3 356.294 2.187 20 5 FEBDHL Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000535766489 562567407 /nfs/dbraw/zinc/56/74/07/562567407.db2.gz QBIYXTRKXDLZHF-UHFFFAOYSA-N -3 3 370.314 2.247 20 5 FEBDHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000579239746 671721936 /nfs/dbraw/zinc/72/19/36/671721936.db2.gz KDPKIXINJDTIPT-NSHDSACASA-N -2 3 364.807 2.416 20 5 FEBDHL C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593942973 673013557 /nfs/dbraw/zinc/01/35/57/673013557.db2.gz BCWXCPIKQMPGGA-DVVUODLYSA-N -2 3 374.390 2.148 20 5 FEBDHL Cc1cc(C)cc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000548593732 673977853 /nfs/dbraw/zinc/97/78/53/673977853.db2.gz LDVDVCYNDNUUJP-OAHLLOKOSA-N -2 3 364.379 2.316 20 5 FEBDHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000261612709 328805269 /nfs/dbraw/zinc/80/52/69/328805269.db2.gz FEXCHVHFJDYJOT-JTQLQIEISA-N -2 3 350.780 2.026 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])cc1C ZINC000325520251 553776931 /nfs/dbraw/zinc/77/69/31/553776931.db2.gz DALXEQIECZLPBB-DZGCQCFKSA-N -2 3 356.400 2.133 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000325646753 553777330 /nfs/dbraw/zinc/77/73/30/553777330.db2.gz XPJYUWHRWWTGBK-NEPJUHHUSA-N -2 3 358.416 2.461 20 5 FEBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000327474828 553789258 /nfs/dbraw/zinc/78/92/58/553789258.db2.gz GYEUICOXEARBPC-WDEREUQCSA-N -2 3 374.415 2.161 20 5 FEBDHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000509854168 561816242 /nfs/dbraw/zinc/81/62/42/561816242.db2.gz XUDYBEHLTQZLNH-UHFFFAOYSA-N -2 3 365.367 2.233 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)c1[N+](=O)[O-] ZINC000515267085 562002766 /nfs/dbraw/zinc/00/27/66/562002766.db2.gz VENVPYSUMFHNIF-LLVKDONJSA-N -2 3 370.408 2.377 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000521863064 562185198 /nfs/dbraw/zinc/18/51/98/562185198.db2.gz RBTZWFJYDZIXTL-RYUDHWBXSA-N -2 3 358.416 2.235 20 5 FEBDHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000392037404 558615482 /nfs/dbraw/zinc/61/54/82/558615482.db2.gz NLHZVASREGPDTI-UHFFFAOYSA-N -2 3 354.315 2.374 20 5 FEBDHL COc1ccc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000392716077 558618616 /nfs/dbraw/zinc/61/86/16/558618616.db2.gz RVRQFCGYHRSTMF-UHFFFAOYSA-N -2 3 374.415 2.163 20 5 FEBDHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414390878 559160814 /nfs/dbraw/zinc/16/08/14/559160814.db2.gz JUCNSWWTQRKRDO-SSDOTTSWSA-N -2 3 370.305 2.160 20 5 FEBDHL COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c([O-])c1 ZINC000468343677 560927460 /nfs/dbraw/zinc/92/74/60/560927460.db2.gz IIIAZPOIWYVBMB-UHFFFAOYSA-N -2 3 366.351 2.196 20 5 FEBDHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000570898944 568627543 /nfs/dbraw/zinc/62/75/43/568627543.db2.gz PZAXCVHJCLVQMX-CABZTGNLSA-N -2 3 358.416 2.379 20 5 FEBDHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832794430 601287468 /nfs/dbraw/zinc/28/74/68/601287468.db2.gz FWYKXCDASYNJRS-UHFFFAOYSA-N -2 3 364.339 2.071 20 5 FEBDHL COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000542234921 673568418 /nfs/dbraw/zinc/56/84/18/673568418.db2.gz VRPFKTYOIAWXTK-UHFFFAOYSA-N -2 3 370.314 2.027 20 5 FEBDHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000548193511 673932349 /nfs/dbraw/zinc/93/23/49/673932349.db2.gz HBDHQEHDLLRSOG-JTQLQIEISA-N -2 3 356.381 2.151 20 5 FEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc([N+](=O)[O-])c[n-]c1=O ZINC000758468519 680583548 /nfs/dbraw/zinc/58/35/48/680583548.db2.gz SRLFEMHCMINLNF-UHFFFAOYSA-N -2 3 354.662 2.215 20 5 FEBDHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000274940252 329994941 /nfs/dbraw/zinc/99/49/41/329994941.db2.gz FBCRKRAZJRVMMX-JTQLQIEISA-N -2 3 350.780 2.026 20 5 FEBDHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000322121024 553767830 /nfs/dbraw/zinc/76/78/30/553767830.db2.gz NHDVPEGVAAUTHC-AAEUAGOBSA-N -2 3 362.791 2.170 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000325644355 553777382 /nfs/dbraw/zinc/77/73/82/553777382.db2.gz XDIWMEDCZSBHPH-DOMZBBRYSA-N -2 3 356.400 2.215 20 5 FEBDHL CS(=O)(=O)[N-]c1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC000505753112 561679512 /nfs/dbraw/zinc/67/95/12/561679512.db2.gz OBGKPWOUBFHARY-UHFFFAOYSA-N -2 3 369.330 2.063 20 5 FEBDHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000401351520 558629629 /nfs/dbraw/zinc/62/96/29/558629629.db2.gz XSFWDBPFTVGCBA-SECBINFHSA-N -2 3 364.807 2.416 20 5 FEBDHL COc1ccc(-c2n[n-]c(=NCc3cc(OC)c([O-])cc3[N+](=O)[O-])o2)cc1 ZINC000436026013 559933884 /nfs/dbraw/zinc/93/38/84/559933884.db2.gz WYTJVFUQWUKJMC-UHFFFAOYSA-N -2 3 372.337 2.980 20 5 FEBDHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000436480824 559942520 /nfs/dbraw/zinc/94/25/20/559942520.db2.gz ZOZZIRSXDUTZBQ-UHFFFAOYSA-N -2 3 370.314 2.027 20 5 FEBDHL CS(=O)(=O)[N-]c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000436953643 559957211 /nfs/dbraw/zinc/95/72/11/559957211.db2.gz AUFFKVZUTKZQAJ-UHFFFAOYSA-N -2 3 369.330 2.063 20 5 FEBDHL O=C([O-])c1cc(NC(=O)c2c[n-]c3ccccc3c2=O)cc([N+](=O)[O-])c1 ZINC000740090889 600188766 /nfs/dbraw/zinc/18/87/66/600188766.db2.gz YHXWGPDOHVFVPS-UHFFFAOYSA-N -2 3 353.290 2.387 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)cc1C ZINC000822259057 607154458 /nfs/dbraw/zinc/15/44/58/607154458.db2.gz LEBQOHJGQARAMX-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1C ZINC000822259057 607154460 /nfs/dbraw/zinc/15/44/60/607154460.db2.gz LEBQOHJGQARAMX-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1F ZINC000026293294 539781941 /nfs/dbraw/zinc/78/19/41/539781941.db2.gz DBZOBWIWTROOKK-UHFFFAOYSA-N -2 3 369.330 2.063 20 5 FEBDHL O=C([O-])CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000274895112 329990183 /nfs/dbraw/zinc/99/01/83/329990183.db2.gz GXRCOLZDDMUGFS-UHFFFAOYSA-N -2 3 370.305 2.147 20 5 FEBDHL C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(=O)[O-] ZINC000274921954 329992901 /nfs/dbraw/zinc/99/29/01/329992901.db2.gz BBPCDIUBGARDES-MRVPVSSYSA-N -2 3 350.780 2.027 20 5 FEBDHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000261681043 549742460 /nfs/dbraw/zinc/74/24/60/549742460.db2.gz MLJYCXVZPUKVOV-SNVBAGLBSA-N -2 3 350.780 2.170 20 5 FEBDHL Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000274982240 550569216 /nfs/dbraw/zinc/56/92/16/550569216.db2.gz JSVYTNUOIZGDLW-QMMMGPOBSA-N -2 3 350.780 2.088 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccs1 ZINC000322571668 553768573 /nfs/dbraw/zinc/76/85/73/553768573.db2.gz GATUEYCKNSKKDO-NSHDSACASA-N -2 3 356.381 2.069 20 5 FEBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000326674715 553782414 /nfs/dbraw/zinc/78/24/14/553782414.db2.gz FMMAAADSOBNYEK-ZDUSSCGKSA-N -2 3 370.770 2.352 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1 ZINC000326732485 553783178 /nfs/dbraw/zinc/78/31/78/553783178.db2.gz SEQYQKWWPGKURX-ZDUSSCGKSA-N -2 3 350.352 2.007 20 5 FEBDHL O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000369962601 556742612 /nfs/dbraw/zinc/74/26/12/556742612.db2.gz NZIDZPADNJVOKO-ZDUSSCGKSA-N -2 3 371.349 2.249 20 5 FEBDHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000525964115 562261448 /nfs/dbraw/zinc/26/14/48/562261448.db2.gz BNWPFNWRPGEWFW-UHFFFAOYSA-N -2 3 366.293 2.067 20 5 FEBDHL CCC(CC)(C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000424387531 559662564 /nfs/dbraw/zinc/66/25/64/559662564.db2.gz FYZWQDLYFUSEIP-UHFFFAOYSA-N -2 3 358.416 2.381 20 5 FEBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424597721 559670689 /nfs/dbraw/zinc/67/06/89/559670689.db2.gz KTZZJYOJTSDEFI-RYUDHWBXSA-N -2 3 354.384 2.008 20 5 FEBDHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436670981 559948365 /nfs/dbraw/zinc/94/83/65/559948365.db2.gz SYYZBMQTBFLWNV-UHFFFAOYSA-N -2 3 365.367 2.233 20 5 FEBDHL O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445142693 560129807 /nfs/dbraw/zinc/12/98/07/560129807.db2.gz OBDONCZKUHZLPX-UHFFFAOYSA-N -2 3 365.758 3.053 20 5 FEBDHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000547933769 601991443 /nfs/dbraw/zinc/99/14/43/601991443.db2.gz OGIJQYUJTNFGMD-DGCLKSJQSA-N -2 3 374.390 2.436 20 5 FEBDHL Cc1nn(-c2ccccc2)cc1[N-]c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826332643 609311902 /nfs/dbraw/zinc/31/19/02/609311902.db2.gz AUNGIHVKDPCSHH-UHFFFAOYSA-N -2 3 363.341 2.408 20 5 FEBDHL Cc1nn(-c2ccccc2)cc1[N-]c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826332643 609311905 /nfs/dbraw/zinc/31/19/05/609311905.db2.gz AUNGIHVKDPCSHH-UHFFFAOYSA-N -2 3 363.341 2.408 20 5 FEBDHL CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000614343561 676170299 /nfs/dbraw/zinc/17/02/99/676170299.db2.gz QGFINHLUSSFOGN-SSDOTTSWSA-N -2 3 370.305 2.003 20 5 FEBDHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000548198148 673933092 /nfs/dbraw/zinc/93/30/92/673933092.db2.gz GZBZHQSKLUVOOL-LLVKDONJSA-N -2 3 374.371 2.290 20 5 FEBDHL Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000548202153 673933519 /nfs/dbraw/zinc/93/35/19/673933519.db2.gz AONNHBWUYUKIAO-CQSZACIVSA-N -2 3 350.352 2.007 20 5 FEBDHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000499181103 561545254 /nfs/dbraw/zinc/54/52/54/561545254.db2.gz UDYUZVQRNCLNRZ-UHFFFAOYSA-N -3 3 366.351 2.416 20 5 FEBDHL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000326889347 553784296 /nfs/dbraw/zinc/78/42/96/553784296.db2.gz FJDKUFHUPIMQPA-ZDUSSCGKSA-N -2 3 364.379 2.479 20 5 FEBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c1 ZINC000414350712 559158010 /nfs/dbraw/zinc/15/80/10/559158010.db2.gz USFAXXQJMRDNMH-UHFFFAOYSA-N -2 3 354.384 2.294 20 5 FEBDHL COc1cc(CNCc2nc(C)c(C(=O)[O-])s2)c([N+](=O)[O-])cc1[O-] ZINC000426702046 559740556 /nfs/dbraw/zinc/74/05/56/559740556.db2.gz CYNXBKSOOVQFJQ-UHFFFAOYSA-N -2 3 353.356 2.062 20 5 FEBDHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000562968046 674828852 /nfs/dbraw/zinc/82/88/52/674828852.db2.gz MLGKVNXFWKAKLS-GWCFXTLKSA-N -2 3 374.390 2.436 20 5 FEBDHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000576396286 671365757 /nfs/dbraw/zinc/36/57/57/671365757.db2.gz DBTAOGXUIVHFDS-UHFFFAOYSA-N -2 3 368.367 2.187 20 5 FEBDHL Cc1cccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000603552472 675799901 /nfs/dbraw/zinc/79/99/01/675799901.db2.gz KGTWTPRXPDQEHS-CYBMUJFWSA-N -2 3 364.379 2.398 20 5 FEBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000274947493 550566932 /nfs/dbraw/zinc/56/69/32/550566932.db2.gz HKZXDKFAVPBJIT-MRVPVSSYSA-N -2 3 364.807 2.336 20 5 FEBDHL CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(=O)[O-] ZINC000317365677 553762166 /nfs/dbraw/zinc/76/21/66/553762166.db2.gz VHDCLKKHNIWACJ-MRVPVSSYSA-N -2 3 350.780 2.027 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000327327140 553788029 /nfs/dbraw/zinc/78/80/29/553788029.db2.gz XCNHZYRIKYSPCM-HNNXBMFYSA-N -2 3 364.379 2.316 20 5 FEBDHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000392062812 558615662 /nfs/dbraw/zinc/61/56/62/558615662.db2.gz HTRAIPLQRWDKLP-TZMCWYRMSA-N -2 3 360.363 2.046 20 5 FEBDHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000432176427 559853449 /nfs/dbraw/zinc/85/34/49/559853449.db2.gz JBQCLHDAIVUBPI-UHFFFAOYSA-N -2 3 365.367 2.233 20 5 FEBDHL CC1(C)CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)(C(=O)[O-])CC1 ZINC000541000131 562599885 /nfs/dbraw/zinc/59/98/85/562599885.db2.gz ADZCVDSELFFBAC-UHFFFAOYSA-N -2 3 374.390 2.436 20 5 FEBDHL CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(CC(=O)[O-])c2)s1 ZINC000820894208 597727949 /nfs/dbraw/zinc/72/79/49/597727949.db2.gz FKCVTRFLDBTSGJ-UHFFFAOYSA-N -2 3 356.381 2.431 20 5 FEBDHL COc1cc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC000737848979 600537981 /nfs/dbraw/zinc/53/79/81/600537981.db2.gz JHZOWNSIIAVILQ-UHFFFAOYSA-N -2 3 366.355 2.115 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCCCC(=O)[O-])c1 ZINC000274936985 550566059 /nfs/dbraw/zinc/56/60/59/550566059.db2.gz QCTHTTMSOQACRD-UHFFFAOYSA-N -2 3 350.780 2.090 20 5 FEBDHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000400525838 558629350 /nfs/dbraw/zinc/62/93/50/558629350.db2.gz AHWYXOCPLKTQRV-BXKDBHETSA-N -2 3 358.416 2.379 20 5 FEBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1 ZINC000414345748 559157739 /nfs/dbraw/zinc/15/77/39/559157739.db2.gz PEUHDEYKFHSXBU-QMMMGPOBSA-N -2 3 364.326 2.007 20 5 FEBDHL COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436164457 559936455 /nfs/dbraw/zinc/93/64/55/559936455.db2.gz ZOVOSNJHMWGBEK-UHFFFAOYSA-N -2 3 370.314 2.027 20 5 FEBDHL CS(=O)(=O)[N-]c1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1F ZINC000436740056 559950678 /nfs/dbraw/zinc/95/06/78/559950678.db2.gz PLPQJSZWNJENPY-UHFFFAOYSA-N -2 3 369.330 2.063 20 5 FEBDHL O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1cccc([O-])c1F)OCCO2 ZINC000535054114 562549808 /nfs/dbraw/zinc/54/98/08/562549808.db2.gz NOMUQSRFQOFJAS-UHFFFAOYSA-N -2 3 370.314 2.012 20 5 FEBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000568096672 567879407 /nfs/dbraw/zinc/87/94/07/567879407.db2.gz LICHXCJBDRGUEB-MRVPVSSYSA-N -2 3 364.326 2.007 20 5 FEBDHL Cc1cccc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c1[N+](=O)[O-] ZINC000738693775 600539303 /nfs/dbraw/zinc/53/93/03/600539303.db2.gz YWSIFJIMHOUTSE-UHFFFAOYSA-N -2 3 350.356 2.414 20 5 FEBDHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000560889304 674624217 /nfs/dbraw/zinc/62/42/17/674624217.db2.gz MZXSXUYWTFSIBC-UHFFFAOYSA-N -2 3 370.305 2.145 20 5 FEBDHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000570421514 670712163 /nfs/dbraw/zinc/71/21/63/670712163.db2.gz DYPOLFHLFAYGSM-SNVBAGLBSA-N -2 3 370.305 2.001 20 5 FEBDHL CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000578439882 671665672 /nfs/dbraw/zinc/66/56/72/671665672.db2.gz CDXALOJKXQBURZ-NSHDSACASA-N -2 3 370.305 2.145 20 5 FEBDHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000548596665 673978517 /nfs/dbraw/zinc/97/85/17/673978517.db2.gz RWHLYWWJJQUPCC-SKDRFNHKSA-N -2 3 362.379 2.292 20 5 FEBDHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C ZINC000904000537 690993637 /nfs/dbraw/zinc/99/36/37/690993637.db2.gz WBMGBLJOLRYTNJ-UHFFFAOYSA-N -2 3 365.367 2.368 20 5 FEBDHL Cc1nc(C)c(CCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(=O)[n-]1 ZINC000186031974 327944172 /nfs/dbraw/zinc/94/41/72/327944172.db2.gz BRYOVVBJXDPETJ-UHFFFAOYSA-N -2 3 366.761 2.225 20 5 FEBDHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261964712 328832222 /nfs/dbraw/zinc/83/22/22/328832222.db2.gz PEEPJXFCIHVUFL-CPCISQLKSA-N -2 3 350.780 2.026 20 5 FEBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C ZINC000275055537 330006103 /nfs/dbraw/zinc/00/61/03/330006103.db2.gz TWAXWWOCGABSDO-SNVBAGLBSA-N -2 3 374.415 2.161 20 5 FEBDHL CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000275222946 330023650 /nfs/dbraw/zinc/02/36/50/330023650.db2.gz IRBNBMKFQSAXSS-UHFFFAOYSA-N -2 3 370.305 2.003 20 5 FEBDHL Cc1oc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1C(=O)[O-] ZINC000281763033 551140203 /nfs/dbraw/zinc/14/02/03/551140203.db2.gz GHOPLVCYGDAXJE-UHFFFAOYSA-N -2 3 368.367 2.290 20 5 FEBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000323833969 553770591 /nfs/dbraw/zinc/77/05/91/553770591.db2.gz ADGYSZQUIUXONZ-ZDUSSCGKSA-N -2 3 370.770 2.352 20 5 FEBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000326289626 553780168 /nfs/dbraw/zinc/78/01/68/553780168.db2.gz FVQXGWCASXRECI-CYBMUJFWSA-N -2 3 370.770 2.352 20 5 FEBDHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000391239791 558613610 /nfs/dbraw/zinc/61/36/10/558613610.db2.gz GSGDFHVSDXXCRI-NSHDSACASA-N -2 3 364.807 2.416 20 5 FEBDHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000399563799 558628265 /nfs/dbraw/zinc/62/82/65/558628265.db2.gz GHDBGJOUWIMJCF-QPUJVOFHSA-N -2 3 364.807 2.272 20 5 FEBDHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737327187 599039416 /nfs/dbraw/zinc/03/94/16/599039416.db2.gz WWDFDURZNJPNPB-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737327187 599039418 /nfs/dbraw/zinc/03/94/18/599039418.db2.gz WWDFDURZNJPNPB-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000833028873 601217889 /nfs/dbraw/zinc/21/78/89/601217889.db2.gz RLBXDOYCDKSGOK-QMMMGPOBSA-N -2 3 354.340 2.234 20 5 FEBDHL CCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000821496801 607153783 /nfs/dbraw/zinc/15/37/83/607153783.db2.gz JOYGXWKYBNSKNW-UHFFFAOYSA-N -2 3 374.382 2.138 20 5 FEBDHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000578618331 671677878 /nfs/dbraw/zinc/67/78/78/671677878.db2.gz LAHDPLHMYKRFPJ-SSDOTTSWSA-N -2 3 370.305 2.003 20 5 FEBDHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000261973268 672906635 /nfs/dbraw/zinc/90/66/35/672906635.db2.gz QIKSVYDTDGNYAC-CPCISQLKSA-N -2 3 350.780 2.026 20 5 FEBDHL Cc1nc(C)c(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(=O)[n-]1 ZINC000544663845 673724481 /nfs/dbraw/zinc/72/44/81/673724481.db2.gz NDIANHPVSMEKDF-UHFFFAOYSA-N -2 3 352.734 2.247 20 5 FEBDHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000548249598 673942685 /nfs/dbraw/zinc/94/26/85/673942685.db2.gz NPCHGKOSUPGMGJ-GFCCVEGCSA-N -2 3 368.342 2.228 20 5 FEBDHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000567885746 675332766 /nfs/dbraw/zinc/33/27/66/675332766.db2.gz BIMJYEIEKIQFDG-LLVKDONJSA-N -2 3 364.807 2.416 20 5 FEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])c1C ZINC000262454827 328866965 /nfs/dbraw/zinc/86/69/65/328866965.db2.gz KWBZXQQFKPCOPN-GFCCVEGCSA-N -2 3 358.416 2.237 20 5 FEBDHL CC(C)Sc1nc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n[n-]1 ZINC000271100445 550340659 /nfs/dbraw/zinc/34/06/59/550340659.db2.gz JYRDJQAUOUJDOL-UHFFFAOYSA-N -2 3 371.444 2.198 20 5 FEBDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)ccc1[O-] ZINC000326514838 553781234 /nfs/dbraw/zinc/78/12/34/553781234.db2.gz SKQKGUKMAQYVNI-UHFFFAOYSA-N -2 3 366.351 2.196 20 5 FEBDHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000388419825 558608742 /nfs/dbraw/zinc/60/87/42/558608742.db2.gz CQQAJUFUOHXDOH-MRVPVSSYSA-N -2 3 350.780 2.027 20 5 FEBDHL COC(=O)c1cccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])[n-]c21 ZINC000436885183 559955271 /nfs/dbraw/zinc/95/52/71/559955271.db2.gz JBGBOQJPOFMBGK-UHFFFAOYSA-N -2 3 356.294 2.216 20 5 FEBDHL COC(=O)c1cccc2[n-]c(NC(=O)c3cccc([N+](=O)[O-])c3[O-])nc21 ZINC000436885183 559955272 /nfs/dbraw/zinc/95/52/72/559955272.db2.gz JBGBOQJPOFMBGK-UHFFFAOYSA-N -2 3 356.294 2.216 20 5 FEBDHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261661128 600945349 /nfs/dbraw/zinc/94/53/49/600945349.db2.gz GHJIGHNQPJIAKP-VIFPVBQESA-N -2 3 364.807 2.273 20 5 FEBDHL C[C@@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000547908966 601128193 /nfs/dbraw/zinc/12/81/93/601128193.db2.gz YLODDYBHXVWTFS-IAQYHMDHSA-N -2 3 364.379 2.335 20 5 FEBDHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000578618332 671677873 /nfs/dbraw/zinc/67/78/73/671677873.db2.gz LAHDPLHMYKRFPJ-ZETCQYMHSA-N -2 3 370.305 2.003 20 5 FEBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c([N+](=O)[O-])c1 ZINC000567592875 675304706 /nfs/dbraw/zinc/30/47/06/675304706.db2.gz IWINNPKNFHXIML-SECBINFHSA-N -2 3 364.326 2.007 20 5 FEBDHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000821089194 675412653 /nfs/dbraw/zinc/41/26/53/675412653.db2.gz FDNDMGDVNXXHKY-UHFFFAOYSA-N -2 3 370.314 2.027 20 5 FEBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C ZINC000275066312 330007110 /nfs/dbraw/zinc/00/71/10/330007110.db2.gz ZYZSQJWDLUXXNU-JTQLQIEISA-N -2 3 374.415 2.019 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000486790562 561356473 /nfs/dbraw/zinc/35/64/73/561356473.db2.gz YROAHMSURWJJGA-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000486790562 561356474 /nfs/dbraw/zinc/35/64/74/561356474.db2.gz YROAHMSURWJJGA-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCCCCC(=O)[O-])c1 ZINC000274911760 550564407 /nfs/dbraw/zinc/56/44/07/550564407.db2.gz KUGGEAHJZBMTIA-UHFFFAOYSA-N -2 3 364.807 2.480 20 5 FEBDHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000322171082 553768105 /nfs/dbraw/zinc/76/81/05/553768105.db2.gz LTPMSAXOCQLZPV-UHFFFAOYSA-N -2 3 362.791 2.172 20 5 FEBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-] ZINC000327214124 553787105 /nfs/dbraw/zinc/78/71/05/553787105.db2.gz HUMPWLRJPKMJMV-UHFFFAOYSA-N -2 3 374.415 2.163 20 5 FEBDHL CC(=O)c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000507630841 561735728 /nfs/dbraw/zinc/73/57/28/561735728.db2.gz UIVVHNPFSQAQFU-UHFFFAOYSA-N -2 3 354.315 2.443 20 5 FEBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000572787019 601388617 /nfs/dbraw/zinc/38/86/17/601388617.db2.gz FQBLEBKDZUPSGL-CYBMUJFWSA-N -2 3 370.770 2.352 20 5 FEBDHL COc1cc(CN[C@H](C)c2ncc(C(=O)[O-])s2)c([N+](=O)[O-])cc1[O-] ZINC000573370813 671114659 /nfs/dbraw/zinc/11/46/59/671114659.db2.gz MNBMGYAYTVPIKX-SSDOTTSWSA-N -2 3 353.356 2.315 20 5 FEBDHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])CC(F)(F)F ZINC000582908349 672045750 /nfs/dbraw/zinc/04/57/50/672045750.db2.gz QYKGMFPHYPTDCA-ZETCQYMHSA-N -2 3 370.305 2.160 20 5 FEBDHL C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000795389334 683048098 /nfs/dbraw/zinc/04/80/98/683048098.db2.gz UEZHTCZGIZBQCF-MRVPVSSYSA-N -2 3 356.331 2.294 20 5 FEBDHL O=C([O-])C1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000261812927 549757851 /nfs/dbraw/zinc/75/78/51/549757851.db2.gz VUONWXDWDBTWDW-UHFFFAOYSA-N -2 3 362.791 2.170 20 5 FEBDHL C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(=O)[O-] ZINC000274921955 550565178 /nfs/dbraw/zinc/56/51/78/550565178.db2.gz BBPCDIUBGARDES-QMMMGPOBSA-N -2 3 350.780 2.027 20 5 FEBDHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000298836031 553479170 /nfs/dbraw/zinc/47/91/70/553479170.db2.gz CNARMWJQXSGUPS-UHFFFAOYSA-N -2 3 350.780 2.172 20 5 FEBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000378563966 558584261 /nfs/dbraw/zinc/58/42/61/558584261.db2.gz YNHMLCUCBMBMTJ-CQSZACIVSA-N -2 3 371.349 2.249 20 5 FEBDHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000391837303 558615244 /nfs/dbraw/zinc/61/52/44/558615244.db2.gz GFHBQRVXLHLQER-SECBINFHSA-N -2 3 350.780 2.170 20 5 FEBDHL C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H](C)C(=O)[O-] ZINC000569313467 568368446 /nfs/dbraw/zinc/36/84/46/568368446.db2.gz KAQVJPCVRLMNIR-NKWVEPMBSA-N -2 3 370.305 2.001 20 5 FEBDHL O=C([O-])NCc1cccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000740676756 602479469 /nfs/dbraw/zinc/47/94/69/602479469.db2.gz PYCSQCJTUCJNAP-UHFFFAOYSA-N -2 3 356.294 2.458 20 5 FEBDHL O=C([O-])N1CCCc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc21 ZINC000740465506 602577133 /nfs/dbraw/zinc/57/71/33/602577133.db2.gz QZRBIQRMORTEEC-UHFFFAOYSA-N -2 3 358.310 2.378 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1 ZINC000833746953 605152152 /nfs/dbraw/zinc/15/21/52/605152152.db2.gz MNEBHECFASLPAC-UHFFFAOYSA-N -3 3 367.339 2.500 20 5 FEBDHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000596026416 673350115 /nfs/dbraw/zinc/35/01/15/673350115.db2.gz JDLSYHYYCPMPSN-JTQLQIEISA-N -2 3 362.791 2.027 20 5 FEBDHL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1C ZINC000603977689 675802621 /nfs/dbraw/zinc/80/26/21/675802621.db2.gz IVQBSPYMZBZRKS-UHFFFAOYSA-N -2 3 365.367 2.368 20 5 FEBDHL COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000917750428 685534437 /nfs/dbraw/zinc/53/44/37/685534437.db2.gz DKFKEZPHMAVROM-UHFFFAOYSA-N -2 3 367.339 2.280 20 5 FEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)ccc1[O-] ZINC000031722507 539917095 /nfs/dbraw/zinc/91/70/95/539917095.db2.gz SJSSZQGQFBEJAX-UHFFFAOYSA-N -2 3 374.378 2.346 20 5 FEBDHL CS(=O)(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)cc(C(=O)[O-])c1 ZINC000486348006 561344919 /nfs/dbraw/zinc/34/49/19/561344919.db2.gz HXNKBMZIAMTWIP-UHFFFAOYSA-N -2 3 370.364 2.010 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)cc1C ZINC000261801391 549756918 /nfs/dbraw/zinc/75/69/18/549756918.db2.gz FSWMXEMSAWFWRQ-UHFFFAOYSA-N -2 3 356.400 2.133 20 5 FEBDHL O=C([O-])c1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000499265791 561547087 /nfs/dbraw/zinc/54/70/87/561547087.db2.gz LRASHWKEMMCFBZ-UHFFFAOYSA-N -2 3 368.342 2.417 20 5 FEBDHL CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(=O)[O-] ZINC000317365678 553762566 /nfs/dbraw/zinc/76/25/66/553762566.db2.gz VHDCLKKHNIWACJ-QMMMGPOBSA-N -2 3 350.780 2.027 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccs1 ZINC000322571667 553768621 /nfs/dbraw/zinc/76/86/21/553768621.db2.gz GATUEYCKNSKKDO-LLVKDONJSA-N -2 3 356.381 2.069 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCCC1 ZINC000325115745 553775494 /nfs/dbraw/zinc/77/54/94/553775494.db2.gz MMPWDOPIFVFOEP-UHFFFAOYSA-N -2 3 356.400 2.359 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000325644357 553777333 /nfs/dbraw/zinc/77/73/33/553777333.db2.gz XDIWMEDCZSBHPH-SWLSCSKDSA-N -2 3 356.400 2.215 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccccc1 ZINC000392267709 558616744 /nfs/dbraw/zinc/61/67/44/558616744.db2.gz YOTBYBAQINKJOS-CYBMUJFWSA-N -2 3 364.379 2.398 20 5 FEBDHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000399563800 558628216 /nfs/dbraw/zinc/62/82/16/558628216.db2.gz GHDBGJOUWIMJCF-UFBFGSQYSA-N -2 3 364.807 2.272 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])cc1C ZINC000401340627 558629757 /nfs/dbraw/zinc/62/97/57/558629757.db2.gz ROOYYWRDDXBCRI-NSHDSACASA-N -2 3 358.416 2.379 20 5 FEBDHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000436703691 559949482 /nfs/dbraw/zinc/94/94/82/559949482.db2.gz MOSSHNULNXLQAD-UHFFFAOYSA-N -2 3 369.337 2.417 20 5 FEBDHL COC(=O)c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])[n-]c21 ZINC000437007073 559959329 /nfs/dbraw/zinc/95/93/29/559959329.db2.gz YZDGMOYSNMFUBV-UHFFFAOYSA-N -2 3 356.294 2.216 20 5 FEBDHL COC(=O)c1cccc2[n-]c(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])nc21 ZINC000437007073 559959330 /nfs/dbraw/zinc/95/93/30/559959330.db2.gz YZDGMOYSNMFUBV-UHFFFAOYSA-N -2 3 356.294 2.216 20 5 FEBDHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000590763402 672614151 /nfs/dbraw/zinc/61/41/51/672614151.db2.gz CZVCSGXRCSOKTC-SECBINFHSA-N -2 3 356.381 2.151 20 5 FEBDHL CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000614352473 676170687 /nfs/dbraw/zinc/17/06/87/676170687.db2.gz CKNYSBQMPODKOX-UHFFFAOYSA-N -2 3 350.780 2.027 20 5 FEBDHL Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])c1 ZINC000548207292 673934731 /nfs/dbraw/zinc/93/47/31/673934731.db2.gz IGNQESJQLSNGGD-AWEZNQCLSA-N -2 3 368.342 2.147 20 5 FEBDHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000548526419 673965881 /nfs/dbraw/zinc/96/58/81/673965881.db2.gz XMEJKXBDTYQASK-QMMMGPOBSA-N -2 3 362.410 2.212 20 5 FEBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000566975798 675257761 /nfs/dbraw/zinc/25/77/61/675257761.db2.gz HEGQIRDNOVLNKY-MRVPVSSYSA-N -2 3 364.326 2.007 20 5 FEBDHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000840785073 680842699 /nfs/dbraw/zinc/84/26/99/680842699.db2.gz LZTMGBNWJZXXSC-ZETCQYMHSA-N -2 3 370.305 2.003 20 5 FEBDHL O=C(NCc1ccc([O-])c(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000151566836 544557435 /nfs/dbraw/zinc/55/74/35/544557435.db2.gz YFTMOFHQAHMNBW-UHFFFAOYSA-N -2 3 368.143 2.094 20 5 FEBDHL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000499284554 561547718 /nfs/dbraw/zinc/54/77/18/561547718.db2.gz SHUXQVPRMZNCCF-UHFFFAOYSA-N -2 3 352.368 2.210 20 5 FEBDHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000317470071 553762066 /nfs/dbraw/zinc/76/20/66/553762066.db2.gz ZQJSHHLJXHFNCG-MRVPVSSYSA-N -2 3 350.780 2.170 20 5 FEBDHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000318848001 553763276 /nfs/dbraw/zinc/76/32/76/553763276.db2.gz FXCJKOLUXVNFMX-UHFFFAOYSA-N -2 3 350.780 2.027 20 5 FEBDHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000322277438 553768336 /nfs/dbraw/zinc/76/83/36/553768336.db2.gz QHIHTDGXNGQZSZ-UHFFFAOYSA-N -2 3 360.731 2.018 20 5 FEBDHL O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000369962600 556742531 /nfs/dbraw/zinc/74/25/31/556742531.db2.gz NZIDZPADNJVOKO-CYBMUJFWSA-N -2 3 371.349 2.249 20 5 FEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c1C ZINC000530526105 562414698 /nfs/dbraw/zinc/41/46/98/562414698.db2.gz XGSRZRPPBDIANJ-LBPRGKRZSA-N -2 3 356.400 2.133 20 5 FEBDHL COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000541305906 562608531 /nfs/dbraw/zinc/60/85/31/562608531.db2.gz DUAWCWMQHUNINH-UHFFFAOYSA-N -2 3 370.314 2.027 20 5 FEBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000833323474 601802534 /nfs/dbraw/zinc/80/25/34/601802534.db2.gz UVFLNOJNCGDRJJ-UHFFFAOYSA-N -2 3 360.731 2.018 20 5 FEBDHL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000740712850 602646997 /nfs/dbraw/zinc/64/69/97/602646997.db2.gz CVNPBUNTKRYTBY-UHFFFAOYSA-N -3 3 353.312 2.191 20 5 FEBDHL CC(F)(F)CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000575410607 671312492 /nfs/dbraw/zinc/31/24/92/671312492.db2.gz XTCUGJJARPUIHJ-UHFFFAOYSA-N -2 3 352.315 2.007 20 5 FEBDHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000548596662 673978524 /nfs/dbraw/zinc/97/85/24/673978524.db2.gz RWHLYWWJJQUPCC-BXKDBHETSA-N -2 3 362.379 2.292 20 5 FEBDHL COCCOc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000032631057 539945968 /nfs/dbraw/zinc/94/59/68/539945968.db2.gz TUGVQYGUJIJYFX-UHFFFAOYSA-N -2 3 368.367 2.126 20 5 FEBDHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261661124 328809410 /nfs/dbraw/zinc/80/94/10/328809410.db2.gz GHJIGHNQPJIAKP-SECBINFHSA-N -2 3 364.807 2.273 20 5 FEBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C ZINC000274975162 329998197 /nfs/dbraw/zinc/99/81/97/329998197.db2.gz KXNMYPCRZWNBGJ-SNVBAGLBSA-N -2 3 374.415 2.019 20 5 FEBDHL C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(=O)[O-] ZINC000275028362 330003556 /nfs/dbraw/zinc/00/35/56/330003556.db2.gz PRGREAUNLBSQCH-ZETCQYMHSA-N -2 3 370.305 2.003 20 5 FEBDHL C[C@H](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000275049761 330005407 /nfs/dbraw/zinc/00/54/07/330005407.db2.gz WVMXCOUQTJKABA-MRVPVSSYSA-N -2 3 350.780 2.027 20 5 FEBDHL Cc1oc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000281887340 551153483 /nfs/dbraw/zinc/15/34/83/551153483.db2.gz OQFWEULKIIHQLP-UHFFFAOYSA-N -2 3 368.367 2.290 20 5 FEBDHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000322125849 553767886 /nfs/dbraw/zinc/76/78/86/553767886.db2.gz OEKMSDTYYBEHGW-NSHDSACASA-N -2 3 364.807 2.416 20 5 FEBDHL O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000327674860 553790624 /nfs/dbraw/zinc/79/06/24/553790624.db2.gz LNKQABOYAPGNSK-CYBMUJFWSA-N -2 3 374.390 2.436 20 5 FEBDHL CCc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000327703979 553791146 /nfs/dbraw/zinc/79/11/46/553791146.db2.gz OSJBQKXZEWPOQN-UHFFFAOYSA-N -3 3 366.351 2.362 20 5 FEBDHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000375730003 558073701 /nfs/dbraw/zinc/07/37/01/558073701.db2.gz HSLXOSYWCHCYSG-UHFFFAOYSA-N -2 3 371.349 2.136 20 5 FEBDHL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000432201929 559854001 /nfs/dbraw/zinc/85/40/01/559854001.db2.gz MHNSOOOVHMCHBR-UHFFFAOYSA-N -2 3 358.278 2.372 20 5 FEBDHL Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433807394 559888102 /nfs/dbraw/zinc/88/81/02/559888102.db2.gz GLKVQGIYGDQBTG-UHFFFAOYSA-N -3 3 352.324 2.108 20 5 FEBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000572787020 601388545 /nfs/dbraw/zinc/38/85/45/601388545.db2.gz FQBLEBKDZUPSGL-ZDUSSCGKSA-N -2 3 370.770 2.352 20 5 FEBDHL Cc1cc(NCCNC(=O)c2ccc([O-])cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897658 601545488 /nfs/dbraw/zinc/54/54/88/601545488.db2.gz YWDRBDRVLUWIDC-UHFFFAOYSA-N -2 3 359.338 2.149 20 5 FEBDHL C[C@H]([C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-])C1CC1 ZINC000548862701 674001966 /nfs/dbraw/zinc/00/19/66/674001966.db2.gz YEBQSZYCKRMJFK-MADCSZMMSA-N -2 3 362.791 2.026 20 5 FEBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-] ZINC000485050549 561311386 /nfs/dbraw/zinc/31/13/86/561311386.db2.gz HUXSWASVYMEQRM-LLVKDONJSA-N -2 3 374.415 2.161 20 5 FEBDHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000317377587 553762526 /nfs/dbraw/zinc/76/25/26/553762526.db2.gz KTOZKBQDBMRPEY-MRVPVSSYSA-N -2 3 350.780 2.027 20 5 FEBDHL COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1OC ZINC000508219372 561755728 /nfs/dbraw/zinc/75/57/28/561755728.db2.gz LFNBFWDVKPSIRD-UHFFFAOYSA-N -2 3 368.367 2.427 20 5 FEBDHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000390165601 558610532 /nfs/dbraw/zinc/61/05/32/558610532.db2.gz NAPJFLSEKMGYHH-PSASIEDQSA-N -2 3 362.791 2.027 20 5 FEBDHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000401337096 558629492 /nfs/dbraw/zinc/62/94/92/558629492.db2.gz PTUYWPGVOOOSEA-SNVBAGLBSA-N -2 3 364.807 2.416 20 5 FEBDHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000525958005 562261085 /nfs/dbraw/zinc/26/10/85/562261085.db2.gz IGRHPYXRQXQTSS-UHFFFAOYSA-N -2 3 360.731 2.018 20 5 FEBDHL C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833572654 605246658 /nfs/dbraw/zinc/24/66/58/605246658.db2.gz WLPXQPIFUDNWHD-YGRLFVJLSA-N -2 3 360.363 2.046 20 5 FEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826451586 609285726 /nfs/dbraw/zinc/28/57/26/609285726.db2.gz NCFPMAXGJAEUSH-UHFFFAOYSA-N -2 3 360.717 2.386 20 5 FEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826451586 609285728 /nfs/dbraw/zinc/28/57/28/609285728.db2.gz NCFPMAXGJAEUSH-UHFFFAOYSA-N -2 3 360.717 2.386 20 5 FEBDHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000548862616 674002111 /nfs/dbraw/zinc/00/21/11/674002111.db2.gz IDJMXNIIXRIUHM-KRTXAFLBSA-N -2 3 362.791 2.026 20 5 FEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)ccc1[O-] ZINC000031534751 539909778 /nfs/dbraw/zinc/90/97/78/539909778.db2.gz DSSAFXYZNGDVOX-UHFFFAOYSA-N -2 3 360.351 2.491 20 5 FEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c1C ZINC000262387782 549816089 /nfs/dbraw/zinc/81/60/89/549816089.db2.gz IAXMZEYFXOUTGE-UHFFFAOYSA-N -2 3 356.400 2.133 20 5 FEBDHL COc1ccc([O-])c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000499268700 561547220 /nfs/dbraw/zinc/54/72/20/561547220.db2.gz APOMXKYWAQZRRD-UHFFFAOYSA-N -2 3 352.368 2.293 20 5 FEBDHL COc1cc([O-])cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000504060626 561652534 /nfs/dbraw/zinc/65/25/34/561652534.db2.gz SCQXTYFDQDXVNM-UHFFFAOYSA-N -3 3 354.340 2.124 20 5 FEBDHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000322125847 553767961 /nfs/dbraw/zinc/76/79/61/553767961.db2.gz OEKMSDTYYBEHGW-LLVKDONJSA-N -2 3 364.807 2.416 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1 ZINC000324754443 553773626 /nfs/dbraw/zinc/77/36/26/553773626.db2.gz SEQYQKWWPGKURX-CYBMUJFWSA-N -2 3 350.352 2.007 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)c1[N+](=O)[O-] ZINC000515267086 562002775 /nfs/dbraw/zinc/00/27/75/562002775.db2.gz VENVPYSUMFHNIF-NSHDSACASA-N -2 3 370.408 2.377 20 5 FEBDHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000400525840 558629361 /nfs/dbraw/zinc/62/93/61/558629361.db2.gz AHWYXOCPLKTQRV-JOYOIKCWSA-N -2 3 358.416 2.379 20 5 FEBDHL CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000436944285 559957099 /nfs/dbraw/zinc/95/70/99/559957099.db2.gz BJOYLGATIAJBPF-UHFFFAOYSA-N -2 3 369.330 2.063 20 5 FEBDHL CC1(C)CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC000541933881 562623778 /nfs/dbraw/zinc/62/37/78/562623778.db2.gz CIDRAEGKGRMQMD-UHFFFAOYSA-N -2 3 356.400 2.297 20 5 FEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823387464 607458901 /nfs/dbraw/zinc/45/89/01/607458901.db2.gz KWSXXBDIXDKNKJ-ONEGZZNKSA-N -2 3 356.273 2.178 20 5 FEBDHL O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823387464 607458902 /nfs/dbraw/zinc/45/89/02/607458902.db2.gz KWSXXBDIXDKNKJ-ONEGZZNKSA-N -2 3 356.273 2.178 20 5 FEBDHL Cc1cc(C)cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1 ZINC000822197425 607154338 /nfs/dbraw/zinc/15/43/38/607154338.db2.gz AUYKISXVIYZNIN-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000543868862 673675829 /nfs/dbraw/zinc/67/58/29/673675829.db2.gz FCIFAWQNTRHJFP-UHFFFAOYSA-N -2 3 354.340 2.118 20 5 FEBDHL CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000262641380 328878125 /nfs/dbraw/zinc/87/81/25/328878125.db2.gz HLCIODOUHLMGRJ-VIFPVBQESA-N -2 3 370.305 2.145 20 5 FEBDHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000297127438 330194550 /nfs/dbraw/zinc/19/45/50/330194550.db2.gz HCFAPCSMVOKMTE-MRVPVSSYSA-N -2 3 350.780 2.170 20 5 FEBDHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261624124 549735425 /nfs/dbraw/zinc/73/54/25/549735425.db2.gz GYKJVBGJOAYFJN-VIFPVBQESA-N -2 3 350.780 2.026 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(=O)[nH]c2c1 ZINC000499181574 561545368 /nfs/dbraw/zinc/54/53/68/561545368.db2.gz XGBHIALOCWVJCD-UHFFFAOYSA-N -2 3 365.323 2.256 20 5 FEBDHL COc1cc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)c([N+](=O)[O-])cc1OC ZINC000299252292 553536912 /nfs/dbraw/zinc/53/69/12/553536912.db2.gz DCBRJCUSTLNIQT-UHFFFAOYSA-N -2 3 361.236 2.001 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccccc1CC(=O)[O-] ZINC000327016243 553785150 /nfs/dbraw/zinc/78/51/50/553785150.db2.gz HJIASZVNNRIZSX-UHFFFAOYSA-N -2 3 364.379 2.009 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1ccc(C(=O)[O-])cc1 ZINC000327313440 553787939 /nfs/dbraw/zinc/78/79/39/553787939.db2.gz RJDFXHXDRRQMSS-UHFFFAOYSA-N -2 3 364.379 2.122 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000327327141 553787999 /nfs/dbraw/zinc/78/79/99/553787999.db2.gz XCNHZYRIKYSPCM-OAHLLOKOSA-N -2 3 364.379 2.316 20 5 FEBDHL Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c(C(=O)[O-])c1 ZINC000508246183 561756394 /nfs/dbraw/zinc/75/63/94/561756394.db2.gz HUSLXFSMJSDINL-UHFFFAOYSA-N -3 3 366.351 2.416 20 5 FEBDHL Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000365782118 555666574 /nfs/dbraw/zinc/66/65/74/555666574.db2.gz MIGOLTFPAAYBET-UHFFFAOYSA-N -2 3 373.756 2.424 20 5 FEBDHL C[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000392979781 558619979 /nfs/dbraw/zinc/61/99/79/558619979.db2.gz ZYKBWZPDJIGCMA-MRVPVSSYSA-N -2 3 350.780 2.027 20 5 FEBDHL COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000526045912 562265004 /nfs/dbraw/zinc/26/50/04/562265004.db2.gz DVLLOGDOHUGCJS-UHFFFAOYSA-N -2 3 370.314 2.027 20 5 FEBDHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)c1 ZINC000436650050 559947705 /nfs/dbraw/zinc/94/77/05/559947705.db2.gz QJVBHWCQXSHFPD-UHFFFAOYSA-N -2 3 366.351 2.132 20 5 FEBDHL CCOc1ccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000737195440 600626897 /nfs/dbraw/zinc/62/68/97/600626897.db2.gz OCCKZCFZVUOTMP-UHFFFAOYSA-N -2 3 366.355 2.115 20 5 FEBDHL CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000571848298 670931153 /nfs/dbraw/zinc/93/11/53/670931153.db2.gz WYVCVRBCNJYIRT-UHFFFAOYSA-N -3 3 366.351 2.362 20 5 FEBDHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC(=O)[O-] ZINC000548204821 673934105 /nfs/dbraw/zinc/93/41/05/673934105.db2.gz RFWXAOICJHJRIB-SECBINFHSA-N -2 3 362.379 2.149 20 5 FEBDHL CCc1ccc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000548529741 673966322 /nfs/dbraw/zinc/96/63/22/673966322.db2.gz IEMZDPFFGHEFSK-HNNXBMFYSA-N -2 3 364.379 2.261 20 5 FEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)ccc1[O-] ZINC000032595405 539944054 /nfs/dbraw/zinc/94/40/54/539944054.db2.gz BQUNJUSBEJNEFU-UHFFFAOYSA-N -2 3 360.351 2.287 20 5 FEBDHL CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000068175829 541557889 /nfs/dbraw/zinc/55/78/89/541557889.db2.gz SYYIAKFYCZVTHZ-UHFFFAOYSA-N -2 3 365.367 2.084 20 5 FEBDHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000491760405 561447527 /nfs/dbraw/zinc/44/75/27/561447527.db2.gz HVUSVHUFPJESJD-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000491760405 561447528 /nfs/dbraw/zinc/44/75/28/561447528.db2.gz HVUSVHUFPJESJD-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000317377588 553762632 /nfs/dbraw/zinc/76/26/32/553762632.db2.gz KTOZKBQDBMRPEY-QMMMGPOBSA-N -2 3 350.780 2.027 20 5 FEBDHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000326889346 553784391 /nfs/dbraw/zinc/78/43/91/553784391.db2.gz FJDKUFHUPIMQPA-CYBMUJFWSA-N -2 3 364.379 2.479 20 5 FEBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000327474825 553789104 /nfs/dbraw/zinc/78/91/04/553789104.db2.gz GYEUICOXEARBPC-GHMZBOCLSA-N -2 3 374.415 2.161 20 5 FEBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000521863065 562185234 /nfs/dbraw/zinc/18/52/34/562185234.db2.gz RBTZWFJYDZIXTL-VXGBXAGGSA-N -2 3 358.416 2.235 20 5 FEBDHL CSCCCCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000522005110 562188940 /nfs/dbraw/zinc/18/89/40/562188940.db2.gz VAACCDJRFGCPFI-UHFFFAOYSA-N -2 3 362.429 2.105 20 5 FEBDHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436633475 559947177 /nfs/dbraw/zinc/94/71/77/559947177.db2.gz BRGQYQAWJQMGBD-UHFFFAOYSA-N -2 3 365.367 2.233 20 5 FEBDHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000828672852 601479715 /nfs/dbraw/zinc/47/97/15/601479715.db2.gz WVDMOAOWSFAFCZ-LBPRGKRZSA-N -2 3 350.780 2.170 20 5 FEBDHL Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000822293961 607154113 /nfs/dbraw/zinc/15/41/13/607154113.db2.gz RNMMUNXERHHGDY-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822293961 607154115 /nfs/dbraw/zinc/15/41/15/607154115.db2.gz RNMMUNXERHHGDY-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL O=C([O-])[C@H]1CN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000192942859 328348035 /nfs/dbraw/zinc/34/80/35/328348035.db2.gz YBPPTUOBSQYKFJ-LBPRGKRZSA-N -2 3 352.306 2.300 20 5 FEBDHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000274925504 329993557 /nfs/dbraw/zinc/99/35/57/329993557.db2.gz BOUGOXXQSFRYQM-ZETCQYMHSA-N -2 3 370.305 2.145 20 5 FEBDHL Cc1ccc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000485058165 561311629 /nfs/dbraw/zinc/31/16/29/561311629.db2.gz FROROHOEUUYZLV-LLVKDONJSA-N -2 3 358.416 2.461 20 5 FEBDHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000322273945 553767983 /nfs/dbraw/zinc/76/79/83/553767983.db2.gz SNAQCRFJAVGYBQ-UHFFFAOYSA-N -2 3 362.791 2.172 20 5 FEBDHL COCCc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000326210825 553779550 /nfs/dbraw/zinc/77/95/50/553779550.db2.gz PQBVXCJTCDZXLB-UHFFFAOYSA-N -2 3 352.368 2.290 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000508217112 561755733 /nfs/dbraw/zinc/75/57/33/561755733.db2.gz NNCIGAAUGYMKML-UHFFFAOYSA-N -3 3 352.324 2.108 20 5 FEBDHL CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000515852664 562023981 /nfs/dbraw/zinc/02/39/81/562023981.db2.gz GUXLVLYSCMUKGD-UHFFFAOYSA-N -2 3 365.367 2.368 20 5 FEBDHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000392062809 558615768 /nfs/dbraw/zinc/61/57/68/558615768.db2.gz HTRAIPLQRWDKLP-GXTWGEPZSA-N -2 3 360.363 2.046 20 5 FEBDHL CCC(CC)(C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000424374144 559662189 /nfs/dbraw/zinc/66/21/89/559662189.db2.gz YQPAWSIPIAYZHO-UHFFFAOYSA-N -2 3 358.416 2.381 20 5 FEBDHL O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823299293 606666524 /nfs/dbraw/zinc/66/65/24/606666524.db2.gz QHPVQZNIILRCSG-UHFFFAOYSA-N -2 3 364.243 2.445 20 5 FEBDHL Cc1ccc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000547873632 673895681 /nfs/dbraw/zinc/89/56/81/673895681.db2.gz QKMWNPPFBDUOQI-AWEZNQCLSA-N -2 3 350.352 2.007 20 5 FEBDHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)(CC(=O)[O-])C1 ZINC000548556510 673971201 /nfs/dbraw/zinc/97/12/01/673971201.db2.gz XMWFFVVTLAVNSB-BONVTDFDSA-N -2 3 374.390 2.293 20 5 FEBDHL CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000485865574 561330445 /nfs/dbraw/zinc/33/04/45/561330445.db2.gz QXQVNRYYCNMGMH-UHFFFAOYSA-N -2 3 369.330 2.199 20 5 FEBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)c1C ZINC000519534593 562133894 /nfs/dbraw/zinc/13/38/94/562133894.db2.gz BKLBAYXKXOHOJY-DGCLKSJQSA-N -2 3 358.416 2.235 20 5 FEBDHL O=C(Nc1ccc(Br)cc1[O-])c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000519623036 562137363 /nfs/dbraw/zinc/13/73/63/562137363.db2.gz QVUHXYBYUJVTKB-UHFFFAOYSA-N -2 3 354.116 2.416 20 5 FEBDHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000399585827 558628366 /nfs/dbraw/zinc/62/83/66/558628366.db2.gz NGVLKADWMPOYCQ-QPUJVOFHSA-N -2 3 364.807 2.272 20 5 FEBDHL O=C([O-])c1cccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1F ZINC000427336760 559753626 /nfs/dbraw/zinc/75/36/26/559753626.db2.gz KAUUONCCKKXEMS-UHFFFAOYSA-N -2 3 368.342 2.417 20 5 FEBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000569225010 568315664 /nfs/dbraw/zinc/31/56/64/568315664.db2.gz DTCRTACTEKQUDP-QMMMGPOBSA-N -2 3 364.326 2.007 20 5 FEBDHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000828678407 601479977 /nfs/dbraw/zinc/47/99/77/601479977.db2.gz SOHHFDAJCLBFFL-LBPRGKRZSA-N -2 3 350.780 2.170 20 5 FEBDHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000547933768 601991521 /nfs/dbraw/zinc/99/15/21/601991521.db2.gz OGIJQYUJTNFGMD-AAEUAGOBSA-N -2 3 374.390 2.436 20 5 FEBDHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000590763403 672614242 /nfs/dbraw/zinc/61/42/42/672614242.db2.gz CZVCSGXRCSOKTC-VIFPVBQESA-N -2 3 356.381 2.151 20 5 FEBDHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000614357691 676171131 /nfs/dbraw/zinc/17/11/31/676171131.db2.gz AVEWSVPGGGWFEV-LLVKDONJSA-N -2 3 362.379 2.292 20 5 FEBDHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000548558318 673971558 /nfs/dbraw/zinc/97/15/58/673971558.db2.gz YJTDLVVDCPRAPJ-UHFFFAOYSA-N -2 3 354.315 2.374 20 5 FEBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c([N+](=O)[O-])c1 ZINC000768055482 680936497 /nfs/dbraw/zinc/93/64/97/680936497.db2.gz MRTOVLWQEPEXJA-UHFFFAOYSA-N -2 3 357.275 2.149 20 5 FEBDHL Cc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C(=O)[O-])cc1C ZINC000478692204 561172886 /nfs/dbraw/zinc/17/28/86/561172886.db2.gz AZFAAWFRZOIDLB-UHFFFAOYSA-N -3 3 366.351 2.416 20 5 FEBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]CCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000270428894 550271712 /nfs/dbraw/zinc/27/17/12/550271712.db2.gz HJZBXAAZEXFJDP-UHFFFAOYSA-N -2 3 364.807 2.480 20 5 FEBDHL COc1cc([O-])cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000504043402 561652228 /nfs/dbraw/zinc/65/22/28/561652228.db2.gz QMUAUZZWNGDKMD-UHFFFAOYSA-N -2 3 354.340 2.118 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000325646756 553777375 /nfs/dbraw/zinc/77/73/75/553777375.db2.gz XPJYUWHRWWTGBK-VXGBXAGGSA-N -2 3 358.416 2.461 20 5 FEBDHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(F)c1 ZINC000508143362 561753207 /nfs/dbraw/zinc/75/32/07/561753207.db2.gz OGEKRKIWBUZPEP-UHFFFAOYSA-N -2 3 370.314 2.027 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000508214226 561755530 /nfs/dbraw/zinc/75/55/30/561755530.db2.gz DGSDSYDQKZTBLA-UHFFFAOYSA-N -3 3 366.351 2.037 20 5 FEBDHL Cn1ncc2c1ncc(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c2[O-] ZINC000512010331 561888941 /nfs/dbraw/zinc/88/89/41/561888941.db2.gz PMWPVHWCXMHVMJ-UHFFFAOYSA-N -2 3 363.717 2.193 20 5 FEBDHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000391239790 558613588 /nfs/dbraw/zinc/61/35/88/558613588.db2.gz GSGDFHVSDXXCRI-LLVKDONJSA-N -2 3 364.807 2.416 20 5 FEBDHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414390880 559160908 /nfs/dbraw/zinc/16/09/08/559160908.db2.gz JUCNSWWTQRKRDO-ZETCQYMHSA-N -2 3 370.305 2.160 20 5 FEBDHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000436478244 559942597 /nfs/dbraw/zinc/94/25/97/559942597.db2.gz OYXSPABTYXMTSV-UHFFFAOYSA-N -2 3 366.351 2.196 20 5 FEBDHL COc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000442843425 560059540 /nfs/dbraw/zinc/05/95/40/560059540.db2.gz SQDAOXCVKWMQGD-UHFFFAOYSA-N -2 3 352.368 2.293 20 5 FEBDHL C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H](C)C(=O)[O-] ZINC000569313466 568368368 /nfs/dbraw/zinc/36/83/68/568368368.db2.gz KAQVJPCVRLMNIR-BQBZGAKWSA-N -2 3 370.305 2.001 20 5 FEBDHL CCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000736699869 599038988 /nfs/dbraw/zinc/03/89/88/599038988.db2.gz OXZNJTMMUYUPRK-UHFFFAOYSA-N -2 3 374.382 2.138 20 5 FEBDHL CCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000736699869 599038991 /nfs/dbraw/zinc/03/89/91/599038991.db2.gz OXZNJTMMUYUPRK-UHFFFAOYSA-N -2 3 374.382 2.138 20 5 FEBDHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000559069007 604872100 /nfs/dbraw/zinc/87/21/00/604872100.db2.gz OEZUPMWUJGIUBS-UHFFFAOYSA-N -2 3 370.305 2.145 20 5 FEBDHL O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826420916 608015120 /nfs/dbraw/zinc/01/51/20/608015120.db2.gz IYRJLZCEBFJCSN-UHFFFAOYSA-N -2 3 372.366 2.211 20 5 FEBDHL O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826420916 608015121 /nfs/dbraw/zinc/01/51/21/608015121.db2.gz IYRJLZCEBFJCSN-UHFFFAOYSA-N -2 3 372.366 2.211 20 5 FEBDHL CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000543677797 673661270 /nfs/dbraw/zinc/66/12/70/673661270.db2.gz PTWUBDXPGLAQKX-UHFFFAOYSA-N -2 3 360.731 2.203 20 5 FEBDHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000614357697 676171142 /nfs/dbraw/zinc/17/11/42/676171142.db2.gz AVEWSVPGGGWFEV-NSHDSACASA-N -2 3 362.379 2.292 20 5 FEBDHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000548249603 673942729 /nfs/dbraw/zinc/94/27/29/673942729.db2.gz NPCHGKOSUPGMGJ-LBPRGKRZSA-N -2 3 368.342 2.228 20 5 FEBDHL CC(F)(F)CCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566316588 675203926 /nfs/dbraw/zinc/20/39/26/675203926.db2.gz FTCZCOSNWWROFN-UHFFFAOYSA-N -2 3 352.315 2.007 20 5 FEBDHL CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000756893496 680503718 /nfs/dbraw/zinc/50/37/18/680503718.db2.gz QNLPPAASKLHOEU-UHFFFAOYSA-N -2 3 355.694 2.331 20 5 FEBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C ZINC000275066314 330006925 /nfs/dbraw/zinc/00/69/25/330006925.db2.gz ZYZSQJWDLUXXNU-SNVBAGLBSA-N -2 3 374.415 2.019 20 5 FEBDHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000321268118 553766504 /nfs/dbraw/zinc/76/65/04/553766504.db2.gz IQTBBCBMXNWJRE-ZJUUUORDSA-N -2 3 362.791 2.170 20 5 FEBDHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000322039133 553767619 /nfs/dbraw/zinc/76/76/19/553767619.db2.gz IZQWJOJRYGPVRG-UHFFFAOYSA-N -2 3 364.807 2.418 20 5 FEBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000378563963 558584209 /nfs/dbraw/zinc/58/42/09/558584209.db2.gz YNHMLCUCBMBMTJ-AWEZNQCLSA-N -2 3 371.349 2.249 20 5 FEBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)ccc1[O-] ZINC000383677062 558605359 /nfs/dbraw/zinc/60/53/59/558605359.db2.gz XUASENJATCPASO-UHFFFAOYSA-N -2 3 350.352 2.426 20 5 FEBDHL COc1cc(F)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000467947173 560920106 /nfs/dbraw/zinc/92/01/06/560920106.db2.gz CXFUVCZKRNLDDV-UHFFFAOYSA-N -2 3 360.294 2.388 20 5 FEBDHL Cc1cc(C)cc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000548593731 673977845 /nfs/dbraw/zinc/97/78/45/673977845.db2.gz LDVDVCYNDNUUJP-HNNXBMFYSA-N -2 3 364.379 2.316 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000275314580 330033942 /nfs/dbraw/zinc/03/39/42/330033942.db2.gz RQNSRSUSRBLYFT-HAQNSBGRSA-N -2 3 356.400 2.073 20 5 FEBDHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)ccc1[O-] ZINC000480733438 561215469 /nfs/dbraw/zinc/21/54/69/561215469.db2.gz ATYJNXURDAFADX-UHFFFAOYSA-N -2 3 365.367 2.368 20 5 FEBDHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000392461901 558617901 /nfs/dbraw/zinc/61/79/01/558617901.db2.gz MMMIHRJWQFXIQA-UWVGGRQHSA-N -2 3 362.379 2.292 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)cc1C ZINC000399653791 558628173 /nfs/dbraw/zinc/62/81/73/558628173.db2.gz NTSBEYXROGFXLM-FZMZJTMJSA-N -2 3 358.416 2.235 20 5 FEBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])cc1C ZINC000401340626 558629676 /nfs/dbraw/zinc/62/96/76/558629676.db2.gz ROOYYWRDDXBCRI-LLVKDONJSA-N -2 3 358.416 2.379 20 5 FEBDHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436873167 559955155 /nfs/dbraw/zinc/95/51/55/559955155.db2.gz ZHJUHUSWAGLZLY-UHFFFAOYSA-N -2 3 365.367 2.233 20 5 FEBDHL CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(F)(F)F ZINC000569609598 568409792 /nfs/dbraw/zinc/40/97/92/568409792.db2.gz UGTSBBUCZRXEML-UHFFFAOYSA-N -2 3 370.305 2.160 20 5 FEBDHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000547933771 601991423 /nfs/dbraw/zinc/99/14/23/601991423.db2.gz OGIJQYUJTNFGMD-YPMHNXCESA-N -2 3 374.390 2.436 20 5 FEBDHL Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)Cc1ccccc1CC(=O)[O-] ZINC000564549659 675034772 /nfs/dbraw/zinc/03/47/72/675034772.db2.gz JGOQPTGBHAGYON-UHFFFAOYSA-N -2 3 364.379 2.472 20 5 FEBDHL COc1cc(CN[C@@H](C)c2nc(C(=O)[O-])cs2)c([N+](=O)[O-])cc1[O-] ZINC000593948251 673014431 /nfs/dbraw/zinc/01/44/31/673014431.db2.gz GSDFOPXZJHYGJG-ZETCQYMHSA-N -2 3 353.356 2.315 20 5 FEBDHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000548523935 673965059 /nfs/dbraw/zinc/96/50/59/673965059.db2.gz ABCHBMMQCXWSSK-UHFFFAOYSA-N -2 3 354.315 2.374 20 5 FEBDHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)(CC(=O)[O-])C1 ZINC000548556509 673971285 /nfs/dbraw/zinc/97/12/85/673971285.db2.gz XMWFFVVTLAVNSB-BMIGLBTASA-N -2 3 374.390 2.293 20 5 FEBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000548592764 673977843 /nfs/dbraw/zinc/97/78/43/673977843.db2.gz MDCUUOAXERBEET-CYBMUJFWSA-N -2 3 370.770 2.352 20 5 FEBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c([N+](=O)[O-])c1 ZINC000768049481 680936136 /nfs/dbraw/zinc/93/61/36/680936136.db2.gz YIIFMVAMUNYEKG-UHFFFAOYSA-N -2 3 357.275 2.149 20 5 FEBDHL C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000776589530 681412023 /nfs/dbraw/zinc/41/20/23/681412023.db2.gz NGVZWTAAVUISBV-SSDOTTSWSA-N -2 3 370.305 2.003 20 5 FEBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000776677703 681424898 /nfs/dbraw/zinc/42/48/98/681424898.db2.gz CMDWLSHOMPASDT-UHFFFAOYSA-N -2 3 354.662 2.215 20 5 FEBDHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000481453069 561233044 /nfs/dbraw/zinc/23/30/44/561233044.db2.gz FEULLSKCFGMLRZ-UHFFFAOYSA-N -2 3 351.340 2.060 20 5 FEBDHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000325086073 553774871 /nfs/dbraw/zinc/77/48/71/553774871.db2.gz ICJBJVPNXZRGFR-UHFFFAOYSA-N -2 3 354.315 2.374 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000325646755 553777256 /nfs/dbraw/zinc/77/72/56/553777256.db2.gz XPJYUWHRWWTGBK-RYUDHWBXSA-N -2 3 358.416 2.461 20 5 FEBDHL COc1ccc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)c([N+](=O)[O-])c1 ZINC000327280570 553787501 /nfs/dbraw/zinc/78/75/01/553787501.db2.gz UJIXCZGUIZSHSP-UHFFFAOYSA-N -2 3 372.399 2.059 20 5 FEBDHL Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)n1 ZINC000360056876 554861452 /nfs/dbraw/zinc/86/14/52/554861452.db2.gz IPCGEKACJNSVPB-UHFFFAOYSA-N -2 3 367.321 2.419 20 5 FEBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000516284033 562038581 /nfs/dbraw/zinc/03/85/81/562038581.db2.gz ZEZSNHLELUAANL-UHFFFAOYSA-N -2 3 368.367 2.187 20 5 FEBDHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000392226855 558616343 /nfs/dbraw/zinc/61/63/43/558616343.db2.gz XQUGXZSOQGAUMH-UHFFFAOYSA-N -2 3 354.315 2.374 20 5 FEBDHL COc1ccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c([O-])c1 ZINC000436676726 559948540 /nfs/dbraw/zinc/94/85/40/559948540.db2.gz SJGKKFVBDKEMMN-UHFFFAOYSA-N -2 3 354.322 2.951 20 5 FEBDHL C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000547908968 601128504 /nfs/dbraw/zinc/12/85/04/601128504.db2.gz YLODDYBHXVWTFS-XHDPSFHLSA-N -2 3 364.379 2.335 20 5 FEBDHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000591243125 672661200 /nfs/dbraw/zinc/66/12/00/672661200.db2.gz ZIWAVCIYEPIAPL-ZETCQYMHSA-N -2 3 370.305 2.003 20 5 FEBDHL C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(=O)[O-] ZINC000275028360 330003474 /nfs/dbraw/zinc/00/34/74/330003474.db2.gz PRGREAUNLBSQCH-SSDOTTSWSA-N -2 3 370.305 2.003 20 5 FEBDHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000322121030 553767870 /nfs/dbraw/zinc/76/78/70/553767870.db2.gz NHDVPEGVAAUTHC-YPMHNXCESA-N -2 3 362.791 2.170 20 5 FEBDHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000322121028 553768020 /nfs/dbraw/zinc/76/80/20/553768020.db2.gz NHDVPEGVAAUTHC-WCQYABFASA-N -2 3 362.791 2.170 20 5 FEBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-] ZINC000327184926 553786755 /nfs/dbraw/zinc/78/67/55/553786755.db2.gz BSZKBXMGWVVLQR-UHFFFAOYSA-N -2 3 374.415 2.163 20 5 FEBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C ZINC000392425704 558617344 /nfs/dbraw/zinc/61/73/44/558617344.db2.gz IOTZUUKUKNRAHB-NSHDSACASA-N -2 3 358.416 2.461 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427317461 559753200 /nfs/dbraw/zinc/75/32/00/559753200.db2.gz WVKTXJXPBVAORE-UHFFFAOYSA-N -3 3 370.314 2.247 20 5 FEBDHL O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444997381 560126413 /nfs/dbraw/zinc/12/64/13/560126413.db2.gz FMAJXRMIIYYALJ-UHFFFAOYSA-N -2 3 361.264 2.616 20 5 FEBDHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000570898943 568627577 /nfs/dbraw/zinc/62/75/77/568627577.db2.gz PZAXCVHJCLVQMX-BXKDBHETSA-N -2 3 358.416 2.379 20 5 FEBDHL Cc1oc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000576276607 601405834 /nfs/dbraw/zinc/40/58/34/601405834.db2.gz VFVCSJUVGNDNHL-UHFFFAOYSA-N -2 3 368.367 2.408 20 5 FEBDHL Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c1C ZINC000822213098 606178593 /nfs/dbraw/zinc/17/85/93/606178593.db2.gz UKRJLWQHULAYPU-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000579239745 671722073 /nfs/dbraw/zinc/72/20/73/671722073.db2.gz KDPKIXINJDTIPT-LLVKDONJSA-N -2 3 364.807 2.416 20 5 FEBDHL Cc1cccc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])c1C ZINC000547964364 673909515 /nfs/dbraw/zinc/90/95/15/673909515.db2.gz XFOKLADIEABARH-HNNXBMFYSA-N -2 3 364.379 2.316 20 5 FEBDHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000548596663 673978432 /nfs/dbraw/zinc/97/84/32/673978432.db2.gz RWHLYWWJJQUPCC-CABZTGNLSA-N -2 3 362.379 2.292 20 5 FEBDHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000317883540 553762041 /nfs/dbraw/zinc/76/20/41/553762041.db2.gz NPJWMYWMPXFEKF-MRVPVSSYSA-N -2 3 350.780 2.027 20 5 FEBDHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000321235991 553766338 /nfs/dbraw/zinc/76/63/38/553766338.db2.gz WFKDUITXMXSTGM-UHFFFAOYSA-N -2 3 362.791 2.172 20 5 FEBDHL COc1ccc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000326975163 553784958 /nfs/dbraw/zinc/78/49/58/553784958.db2.gz UKVHIRUYVSTHMW-WDEREUQCSA-N -2 3 374.415 2.161 20 5 FEBDHL COc1ccc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000326975161 553784983 /nfs/dbraw/zinc/78/49/83/553784983.db2.gz UKVHIRUYVSTHMW-QWRGUYRKSA-N -2 3 374.415 2.161 20 5 FEBDHL CSCCCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000518986186 562122621 /nfs/dbraw/zinc/12/26/21/562122621.db2.gz FOHMSQXCGNEXEN-UHFFFAOYSA-N -2 3 362.429 2.105 20 5 FEBDHL CC(F)(F)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414336587 559157202 /nfs/dbraw/zinc/15/72/02/559157202.db2.gz ZPMZEAKLDUCDRT-UHFFFAOYSA-N -2 3 352.315 2.007 20 5 FEBDHL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000432202121 559854181 /nfs/dbraw/zinc/85/41/81/559854181.db2.gz MVHBHFFWICMTSV-UHFFFAOYSA-N -2 3 358.278 2.372 20 5 FEBDHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000569344920 568395749 /nfs/dbraw/zinc/39/57/49/568395749.db2.gz ANOMTKOJELBZNX-UHFFFAOYSA-N -2 3 370.305 2.160 20 5 FEBDHL O=C([O-])CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000739686340 600506382 /nfs/dbraw/zinc/50/63/82/600506382.db2.gz HKHQEPICNMTQHU-UHFFFAOYSA-N -2 3 361.310 2.191 20 5 FEBDHL COc1ccc([N-]C(=O)c2csc(CNC(=O)[O-])n2)c([N+](=O)[O-])c1 ZINC000739920792 602695874 /nfs/dbraw/zinc/69/58/74/602695874.db2.gz YCJKUZVZLVQTAA-UHFFFAOYSA-N -2 3 352.328 2.080 20 5 FEBDHL Cc1cc([N-]c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nn1[C@@H](C)C1CC1 ZINC000826271134 609587239 /nfs/dbraw/zinc/58/72/39/609587239.db2.gz DYFYJIUXEPIDOS-VIFPVBQESA-N -2 3 355.362 2.389 20 5 FEBDHL Cc1cc([N-]c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nn1[C@H](C)C1CC1 ZINC000826271133 609587687 /nfs/dbraw/zinc/58/76/87/609587687.db2.gz DYFYJIUXEPIDOS-SECBINFHSA-N -2 3 355.362 2.389 20 5 FEBDHL Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])c1 ZINC000548207294 673934822 /nfs/dbraw/zinc/93/48/22/673934822.db2.gz IGNQESJQLSNGGD-CQSZACIVSA-N -2 3 368.342 2.147 20 5 FEBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000548592765 673977849 /nfs/dbraw/zinc/97/78/49/673977849.db2.gz MDCUUOAXERBEET-ZDUSSCGKSA-N -2 3 370.770 2.352 20 5 FEBDHL COc1cc(C)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OC ZINC000024101611 539726534 /nfs/dbraw/zinc/72/65/34/539726534.db2.gz OIERSGCEBJGXHR-UHFFFAOYSA-N -2 3 368.367 2.427 20 5 FEBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C ZINC000275087893 330009082 /nfs/dbraw/zinc/00/90/82/330009082.db2.gz ZXPQRCGGMXWYNI-SNVBAGLBSA-N -2 3 374.415 2.161 20 5 FEBDHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[n-]1 ZINC000494104712 561462626 /nfs/dbraw/zinc/46/26/26/561462626.db2.gz FOZZHTCZAQRLMJ-UHFFFAOYSA-N -2 3 357.417 2.155 20 5 FEBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C ZINC000274975159 550568723 /nfs/dbraw/zinc/56/87/23/550568723.db2.gz KXNMYPCRZWNBGJ-JTQLQIEISA-N -2 3 374.415 2.019 20 5 FEBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000508214968 561755422 /nfs/dbraw/zinc/75/54/22/561755422.db2.gz GMGYGLZYEMPWHE-UHFFFAOYSA-N -3 3 352.324 2.108 20 5 FEBDHL COc1ccccc1-c1cc(=NC(=O)c2cc([N+](=O)[O-])cnc2[O-])[nH][n-]1 ZINC000609201602 554349008 /nfs/dbraw/zinc/34/90/08/554349008.db2.gz RJZJPEIQJBGWSX-UHFFFAOYSA-N -2 3 355.310 2.346 20 5 FEBDHL COc1ccccc1-c1cc(=NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[nH][n-]1 ZINC000609201602 554349010 /nfs/dbraw/zinc/34/90/10/554349010.db2.gz RJZJPEIQJBGWSX-UHFFFAOYSA-N -2 3 355.310 2.346 20 5 FEBDHL O=C1CCOc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21 ZINC000373237556 557656037 /nfs/dbraw/zinc/65/60/37/557656037.db2.gz SHBYGSNLBFJHBP-UHFFFAOYSA-N -2 3 364.335 2.066 20 5 FEBDHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000436477005 559942410 /nfs/dbraw/zinc/94/24/10/559942410.db2.gz KMQCPGFSPLMZAM-UHFFFAOYSA-N -2 3 366.351 2.196 20 5 FEBDHL O=C([O-])Nc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000740011490 600101713 /nfs/dbraw/zinc/10/17/13/600101713.db2.gz DKAGFWXXBSFSHI-UHFFFAOYSA-N -3 3 371.302 2.330 20 5 FEBDHL Cc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1-c1nnn[n-]1 ZINC000826304102 608754930 /nfs/dbraw/zinc/75/49/30/608754930.db2.gz WBQHTTQPMSGBGC-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL Cc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1-c1nn[n-]n1 ZINC000826304102 608754933 /nfs/dbraw/zinc/75/49/33/608754933.db2.gz WBQHTTQPMSGBGC-UHFFFAOYSA-N -2 3 374.382 2.193 20 5 FEBDHL CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000825625687 609498676 /nfs/dbraw/zinc/49/86/76/609498676.db2.gz BHMWJGBYGQSSKI-UHFFFAOYSA-N -2 3 370.325 2.132 20 5 FEBDHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000825625687 609498679 /nfs/dbraw/zinc/49/86/79/609498679.db2.gz BHMWJGBYGQSSKI-UHFFFAOYSA-N -2 3 370.325 2.132 20 5 FEBDHL CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000578439879 671665676 /nfs/dbraw/zinc/66/56/76/671665676.db2.gz CDXALOJKXQBURZ-LLVKDONJSA-N -2 3 370.305 2.145 20 5 FEBDHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000548193512 673932290 /nfs/dbraw/zinc/93/22/90/673932290.db2.gz HBDHQEHDLLRSOG-SNVBAGLBSA-N -2 3 356.381 2.151 20 5 FEBDHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000604023638 675802998 /nfs/dbraw/zinc/80/29/98/675802998.db2.gz PBCBHUDALKIOKQ-JTQLQIEISA-N -2 3 374.371 2.290 20 5 FEBDHL