smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](O)C[C@H](C)Nc1cc(N[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000824699450 946902992 /nfs/dbraw/zinc/90/29/92/946902992.db2.gz SWICYVHLKFUAJX-BJDJZHNGSA-N -1 1 393.448 1.918 20 5 GDBDMM C[C@H](O)C[C@H](C)Nc1cc(N[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000824699450 946903000 /nfs/dbraw/zinc/90/30/00/946903000.db2.gz SWICYVHLKFUAJX-BJDJZHNGSA-N -1 1 393.448 1.918 20 5 GDBDMM O=C([O-])CCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001349314154 962463776 /nfs/dbraw/zinc/46/37/76/962463776.db2.gz PCHXVWUZULCBSW-UHFFFAOYSA-N -1 1 386.426 1.324 20 5 GDBDMM CC(C)N1CCO[C@H](CN2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)C1 ZINC000565604792 974584818 /nfs/dbraw/zinc/58/48/18/974584818.db2.gz YCTPBUMQSCNORG-MRXNPFEDSA-N -1 1 392.456 1.524 20 5 GDBDMM CC(C)C[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000574524502 974784396 /nfs/dbraw/zinc/78/43/96/974784396.db2.gz CRKROJFTGKUKON-OAHLLOKOSA-N -1 1 385.442 1.400 20 5 GDBDMM CCOc1cc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001118954428 982970151 /nfs/dbraw/zinc/97/01/51/982970151.db2.gz OLUDWBMFXJUSSA-SFHVURJKSA-N -1 1 379.413 1.355 20 5 GDBDMM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC001589000757 984941693 /nfs/dbraw/zinc/94/16/93/984941693.db2.gz DDTDVMDLCHIWQV-SQFISAMPSA-N -1 1 390.440 1.159 20 5 GDBDMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC001589627470 987520313 /nfs/dbraw/zinc/52/03/13/987520313.db2.gz ANMBQKSEMYINBM-UHFFFAOYSA-N -1 1 393.396 1.377 20 5 GDBDMM CS(=O)(=O)[C@H]1C[C@]1(CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001599763519 992154352 /nfs/dbraw/zinc/15/43/52/992154352.db2.gz IPASNWWCTFHAIA-WCQYABFASA-N -1 1 396.343 1.591 20 5 GDBDMM CN1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1=O ZINC000160089375 530548884 /nfs/dbraw/zinc/54/88/84/530548884.db2.gz QFZYHHDVWMEYCZ-VIFPVBQESA-N -1 1 392.231 1.256 20 5 GDBDMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000029044987 530594017 /nfs/dbraw/zinc/59/40/17/530594017.db2.gz SYTVHFINAHUJJL-UHFFFAOYSA-N -1 1 385.423 1.612 20 5 GDBDMM C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000168105728 530584914 /nfs/dbraw/zinc/58/49/14/530584914.db2.gz RPDWETVCPSQGOI-ZDVLTJLQSA-N -1 1 385.261 1.403 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1O ZINC000052008959 530682530 /nfs/dbraw/zinc/68/25/30/530682530.db2.gz CQWQFUUQRXSNPY-MWLCHTKSSA-N -1 1 379.232 1.939 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1O ZINC000091323685 530809646 /nfs/dbraw/zinc/80/96/46/530809646.db2.gz FZAMOISVIKIWSY-KCJUWKMLSA-N -1 1 379.232 1.797 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1(CO)CCC1 ZINC000183307872 530813349 /nfs/dbraw/zinc/81/33/49/530813349.db2.gz TUUBDUKOBXCZRS-UHFFFAOYSA-N -1 1 379.232 1.798 20 5 GDBDMM CC(C)C(=O)NCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000096996900 530818961 /nfs/dbraw/zinc/81/89/61/530818961.db2.gz ILVNVIYEPCRRSG-UHFFFAOYSA-N -1 1 394.247 1.408 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)N1CCOCC1 ZINC000104757459 530840135 /nfs/dbraw/zinc/84/01/35/530840135.db2.gz UHVHFYIONLADDC-GHMZBOCLSA-N -1 1 377.850 1.636 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000104757736 530840269 /nfs/dbraw/zinc/84/02/69/530840269.db2.gz SXLOISGWBASZOO-QWRGUYRKSA-N -1 1 377.850 1.636 20 5 GDBDMM Cn1cc([C@H](O)C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cn1 ZINC000295160778 531530121 /nfs/dbraw/zinc/53/01/21/531530121.db2.gz FGPQLCIACJHDNI-SNVBAGLBSA-N -1 1 395.224 1.647 20 5 GDBDMM C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295173824 531533769 /nfs/dbraw/zinc/53/37/69/531533769.db2.gz QMCHKYVFTYHKIX-SXPOAWKSSA-N -1 1 375.255 1.947 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(Cl)c1 ZINC000295331685 531561579 /nfs/dbraw/zinc/56/15/79/531561579.db2.gz QFMQOADXDKJIOW-LLVKDONJSA-N -1 1 377.850 1.373 20 5 GDBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F ZINC000416398492 531598760 /nfs/dbraw/zinc/59/87/60/531598760.db2.gz BEJKPBQOZKAURV-MRVPVSSYSA-N -1 1 382.238 1.815 20 5 GDBDMM NC(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)O1 ZINC000296294362 531677956 /nfs/dbraw/zinc/67/79/56/531677956.db2.gz NHPPQUWXZFGIDL-RCOVLWMOSA-N -1 1 398.224 1.213 20 5 GDBDMM COC(=O)C1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCSCC1 ZINC000270231520 531845276 /nfs/dbraw/zinc/84/52/76/531845276.db2.gz JITYMKUWVRCEBZ-UHFFFAOYSA-N -1 1 394.858 1.965 20 5 GDBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[nH]1 ZINC000285437839 532083146 /nfs/dbraw/zinc/08/31/46/532083146.db2.gz RNTPGTJZDHKXFX-LURJTMIESA-N -1 1 390.219 1.823 20 5 GDBDMM Cc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n[nH]1 ZINC000285437839 532083152 /nfs/dbraw/zinc/08/31/52/532083152.db2.gz RNTPGTJZDHKXFX-LURJTMIESA-N -1 1 390.219 1.823 20 5 GDBDMM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000287377131 532212179 /nfs/dbraw/zinc/21/21/79/532212179.db2.gz JGBQXBNSXUYILC-SSDOTTSWSA-N -1 1 385.167 1.147 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000289272243 532320319 /nfs/dbraw/zinc/32/03/19/532320319.db2.gz DEASMLVOQCNACL-SSDOTTSWSA-N -1 1 386.810 1.100 20 5 GDBDMM CO[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000289620369 532329798 /nfs/dbraw/zinc/32/97/98/532329798.db2.gz RIWVRLODQMQAKC-WPRPVWTQSA-N -1 1 381.204 1.049 20 5 GDBDMM C[C@@]1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1=O ZINC000289716241 532331227 /nfs/dbraw/zinc/33/12/27/532331227.db2.gz WXXWLDSMINXJRC-LLVKDONJSA-N -1 1 379.188 1.341 20 5 GDBDMM CC(C)(C)[C@H](O)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290031614 532335611 /nfs/dbraw/zinc/33/56/11/532335611.db2.gz YZAZZWXPDWWOMP-AMIZOPFISA-N -1 1 398.840 1.824 20 5 GDBDMM CC(C)(CO)CNc1cc(NCC(C)(C)CO)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000819987664 607331488 /nfs/dbraw/zinc/33/14/88/607331488.db2.gz FNUIHSIEGBGLLI-UHFFFAOYSA-N -1 1 393.448 1.636 20 5 GDBDMM CC(C)(CO)CNc1cc(NCC(C)(C)CO)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000819987664 607331489 /nfs/dbraw/zinc/33/14/89/607331489.db2.gz FNUIHSIEGBGLLI-UHFFFAOYSA-N -1 1 393.448 1.636 20 5 GDBDMM CCc1nn(Cc2cc([N+](=O)[O-])ccc2OC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706411 598377752 /nfs/dbraw/zinc/37/77/52/598377752.db2.gz LBEQXWHTUYQWRY-UHFFFAOYSA-N -1 1 385.384 1.513 20 5 GDBDMM Cc1cc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737281456 598689017 /nfs/dbraw/zinc/68/90/17/598689017.db2.gz ZKMFAZSVNJSPFG-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM COc1ccc(C2=NC(=Cc3ccc(-c4nnn[n-]4)o3)C(=O)O2)cc1[N+](=O)[O-] ZINC000821782897 599309321 /nfs/dbraw/zinc/30/93/21/599309321.db2.gz RKBXNTZNWDQFGQ-JXMROGBWSA-N -1 1 382.292 1.721 20 5 GDBDMM COc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)o3)C(=O)O2)cc1[N+](=O)[O-] ZINC000821782897 599309324 /nfs/dbraw/zinc/30/93/24/599309324.db2.gz RKBXNTZNWDQFGQ-JXMROGBWSA-N -1 1 382.292 1.721 20 5 GDBDMM O=[N+]([O-])c1c(NC[C@H]2CCCO2)cc(NC[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC000738358162 599362696 /nfs/dbraw/zinc/36/26/96/599362696.db2.gz LUGNLBREHGKJPW-CHWSQXEVSA-N -1 1 389.416 1.957 20 5 GDBDMM O=[N+]([O-])c1c(NC[C@H]2CCCO2)cc(NC[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000738358162 599362699 /nfs/dbraw/zinc/36/26/99/599362699.db2.gz LUGNLBREHGKJPW-CHWSQXEVSA-N -1 1 389.416 1.957 20 5 GDBDMM O=C(NCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000826437873 607452297 /nfs/dbraw/zinc/45/22/97/607452297.db2.gz FCJOZELRFPKEPA-UHFFFAOYSA-N -1 1 389.322 1.895 20 5 GDBDMM O=C(NCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000826437873 607452299 /nfs/dbraw/zinc/45/22/99/607452299.db2.gz FCJOZELRFPKEPA-UHFFFAOYSA-N -1 1 389.322 1.895 20 5 GDBDMM O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826498111 607576262 /nfs/dbraw/zinc/57/62/62/607576262.db2.gz HUTJDEBSIKHCPY-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826498111 607576264 /nfs/dbraw/zinc/57/62/64/607576264.db2.gz HUTJDEBSIKHCPY-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCSC(F)(F)F)c1-c1nn[n-]n1 ZINC000826500341 607591484 /nfs/dbraw/zinc/59/14/84/607591484.db2.gz USHDJNVEFPWFJI-UHFFFAOYSA-N -1 1 398.348 1.306 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000826500359 607608072 /nfs/dbraw/zinc/60/80/72/607608072.db2.gz VQPBJPWPMKAYES-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCN(C(=O)[O-])CC1 ZINC000828115002 603981534 /nfs/dbraw/zinc/98/15/34/603981534.db2.gz ODVPKYVTEWWDBP-UHFFFAOYSA-N -1 1 380.357 1.336 20 5 GDBDMM CC(C)CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000824235791 607668643 /nfs/dbraw/zinc/66/86/43/607668643.db2.gz JTNOSAHUHVYJFR-UHFFFAOYSA-N -1 1 380.430 1.880 20 5 GDBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)nc1 ZINC000826498653 607728635 /nfs/dbraw/zinc/72/86/35/607728635.db2.gz DMYJMJOFXFDISB-SECBINFHSA-N -1 1 398.343 1.164 20 5 GDBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)nc1 ZINC000826498653 607728637 /nfs/dbraw/zinc/72/86/37/607728637.db2.gz DMYJMJOFXFDISB-SECBINFHSA-N -1 1 398.343 1.164 20 5 GDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000833624932 605052076 /nfs/dbraw/zinc/05/20/76/605052076.db2.gz MBOAKPRKCMCZNK-ZDUSSCGKSA-N -1 1 380.401 1.164 20 5 GDBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000370273112 606202738 /nfs/dbraw/zinc/20/27/38/606202738.db2.gz QKVZKEANEOWCSN-UHFFFAOYSA-N -1 1 390.337 1.274 20 5 GDBDMM COc1cccc(N2CC[C@@H](Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)c1 ZINC000821871562 606707071 /nfs/dbraw/zinc/70/70/71/606707071.db2.gz ATEJFZIMCNUNMJ-LLVKDONJSA-N -1 1 382.384 1.869 20 5 GDBDMM COc1cccc(N2CC[C@@H](Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)c1 ZINC000821871562 606707072 /nfs/dbraw/zinc/70/70/72/606707072.db2.gz ATEJFZIMCNUNMJ-LLVKDONJSA-N -1 1 382.384 1.869 20 5 GDBDMM CCC1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000820949583 606732407 /nfs/dbraw/zinc/73/24/07/606732407.db2.gz CSHMEZCXXBVCAF-UHFFFAOYSA-N -1 1 380.430 1.976 20 5 GDBDMM CCOC[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821367269 606734620 /nfs/dbraw/zinc/73/46/20/606734620.db2.gz FEKTVUSQNBDZPV-LLVKDONJSA-N -1 1 396.429 1.212 20 5 GDBDMM CC(C)CO[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820096967 606735345 /nfs/dbraw/zinc/73/53/45/606735345.db2.gz JCCUQKKYSGNWEH-NSHDSACASA-N -1 1 396.429 1.211 20 5 GDBDMM COc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c([N+](=O)[O-])cc1OC 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/nfs/dbraw/zinc/26/35/91/660263591.db2.gz TXHNLDNINRWSHB-GWCFXTLKSA-N -1 1 376.866 1.161 20 5 GDBDMM CCOC[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443231874 647191282 /nfs/dbraw/zinc/19/12/82/647191282.db2.gz RTHVKJBUZRTOLJ-VIFPVBQESA-N -1 1 383.220 1.033 20 5 GDBDMM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000443271177 647195686 /nfs/dbraw/zinc/19/56/86/647195686.db2.gz IXFYKDBGEPWLIP-GFCCVEGCSA-N -1 1 379.232 1.797 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)n[nH]1 ZINC000478892307 647819441 /nfs/dbraw/zinc/81/94/41/647819441.db2.gz LGPLJDZFFZDKLS-UHFFFAOYSA-N -1 1 385.711 1.864 20 5 GDBDMM O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507605662 648251132 /nfs/dbraw/zinc/25/11/32/648251132.db2.gz NWQSFULIFDYPQX-UHFFFAOYSA-N -1 1 385.785 1.553 20 5 GDBDMM COCc1n[nH]c(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000594827449 652375208 /nfs/dbraw/zinc/37/52/08/652375208.db2.gz JRMKPRRBWIRDGC-UHFFFAOYSA-N -1 1 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20 5 GDBDMM NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000420707886 532043987 /nfs/dbraw/zinc/04/39/87/532043987.db2.gz VHQWYTRTSRGMRH-MGCOHNPYSA-N -1 1 375.834 1.818 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1=CCCOC1 ZINC000287412176 532214413 /nfs/dbraw/zinc/21/44/13/532214413.db2.gz LNDIRLTWAGIERO-UHFFFAOYSA-N -1 1 377.216 1.982 20 5 GDBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000275296052 532284456 /nfs/dbraw/zinc/28/44/56/532284456.db2.gz MPMUEDDVSQHASL-UHFFFAOYSA-N -1 1 391.833 1.338 20 5 GDBDMM CN(CC(=O)Nc1ccccc1Cl)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821593917 607326373 /nfs/dbraw/zinc/32/63/73/607326373.db2.gz PVHJXNVWOQUNQA-UHFFFAOYSA-N -1 1 388.775 1.898 20 5 GDBDMM CN(CC(=O)Nc1ccccc1Cl)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821593917 607326374 /nfs/dbraw/zinc/32/63/74/607326374.db2.gz PVHJXNVWOQUNQA-UHFFFAOYSA-N -1 1 388.775 1.898 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738358192 598269581 /nfs/dbraw/zinc/26/95/81/598269581.db2.gz AQULWEOZKDQAGY-UHFFFAOYSA-N -1 1 382.745 1.591 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738358192 598269583 /nfs/dbraw/zinc/26/95/83/598269583.db2.gz AQULWEOZKDQAGY-UHFFFAOYSA-N -1 1 382.745 1.591 20 5 GDBDMM CCc1nn(CC(=O)Nc2ccccc2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704946 598641499 /nfs/dbraw/zinc/64/14/99/598641499.db2.gz AWSNGKPANJPFGP-UHFFFAOYSA-N -1 1 398.383 1.095 20 5 GDBDMM CCc1nn(Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706359 598641751 /nfs/dbraw/zinc/64/17/51/598641751.db2.gz JYOIHISSRJOJKB-UHFFFAOYSA-N -1 1 385.384 1.513 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820449746 599325104 /nfs/dbraw/zinc/32/51/04/599325104.db2.gz BRWGEWXQRMNVTP-VIFPVBQESA-N -1 1 392.372 1.954 20 5 GDBDMM COc1ccc(OC)c([C@H](O)CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC000826210789 607450554 /nfs/dbraw/zinc/45/05/54/607450554.db2.gz FGMUQWGEBPVUGM-OAHLLOKOSA-N -1 1 386.368 1.938 20 5 GDBDMM COc1ccc(OC)c([C@H](O)CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC000826210789 607450555 /nfs/dbraw/zinc/45/05/55/607450555.db2.gz FGMUQWGEBPVUGM-OAHLLOKOSA-N -1 1 386.368 1.938 20 5 GDBDMM CCc1nc([C@H]2CN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CCO2)n[nH]1 ZINC000830304522 600920545 /nfs/dbraw/zinc/92/05/45/600920545.db2.gz OVQKVUQIFQDERE-GFCCVEGCSA-N -1 1 375.341 1.187 20 5 GDBDMM Cc1n[nH]c(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000832847430 601778134 /nfs/dbraw/zinc/77/81/34/601778134.db2.gz LCXVOZLFMLGKFK-SFHVURJKSA-N -1 1 387.396 1.476 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(Cl)o2)c1-c1nn[n-]n1 ZINC000826499853 607579627 /nfs/dbraw/zinc/57/96/27/607579627.db2.gz AQPXSWUHMDLAOT-UHFFFAOYSA-N -1 1 384.761 1.500 20 5 GDBDMM C[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824939925 607596732 /nfs/dbraw/zinc/59/67/32/607596732.db2.gz YCCOVGYTGDDLQW-WDEREUQCSA-N -1 1 380.430 1.880 20 5 GDBDMM CS[C@H]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826227576 607651112 /nfs/dbraw/zinc/65/11/12/607651112.db2.gz SZFXDNWMPHZWHN-IUCAKERBSA-N -1 1 384.443 1.337 20 5 GDBDMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000833767611 605024914 /nfs/dbraw/zinc/02/49/14/605024914.db2.gz KIXCYWRCRBMBOT-AWEZNQCLSA-N -1 1 387.396 1.346 20 5 GDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000833622014 605056337 /nfs/dbraw/zinc/05/63/37/605056337.db2.gz DGCBJZUJASZDKM-NSHDSACASA-N -1 1 384.820 1.939 20 5 GDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000833625610 605092660 /nfs/dbraw/zinc/09/26/60/605092660.db2.gz WTGQBIKDGLIYRP-WBMJQRKESA-N -1 1 390.396 1.095 20 5 GDBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822271266 606136747 /nfs/dbraw/zinc/13/67/47/606136747.db2.gz UHQQGUPXQONLBY-UHFFFAOYSA-N -1 1 388.365 1.940 20 5 GDBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822271266 606136748 /nfs/dbraw/zinc/13/67/48/606136748.db2.gz UHQQGUPXQONLBY-UHFFFAOYSA-N -1 1 388.365 1.940 20 5 GDBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000820455351 606644576 /nfs/dbraw/zinc/64/45/76/606644576.db2.gz HMXDFKHNKQDGNC-SECBINFHSA-N -1 1 389.397 1.595 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)COc1ccc(F)cc1 ZINC000823620985 606701872 /nfs/dbraw/zinc/70/18/72/606701872.db2.gz VFHOGNQTCRGGSN-JTQLQIEISA-N -1 1 375.320 1.161 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)COc1ccc(F)cc1 ZINC000823620985 606701874 /nfs/dbraw/zinc/70/18/74/606701874.db2.gz VFHOGNQTCRGGSN-JTQLQIEISA-N -1 1 375.320 1.161 20 5 GDBDMM CS(=O)(=O)Cc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821931506 606705544 /nfs/dbraw/zinc/70/55/44/606705544.db2.gz DOKDVTSIEUIDMK-UHFFFAOYSA-N -1 1 389.397 1.327 20 5 GDBDMM CS(=O)(=O)Cc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821931506 606705546 /nfs/dbraw/zinc/70/55/46/606705546.db2.gz DOKDVTSIEUIDMK-UHFFFAOYSA-N -1 1 389.397 1.327 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000823620064 606709051 /nfs/dbraw/zinc/70/90/51/606709051.db2.gz HMSKDBCSGCHDJS-QMMMGPOBSA-N -1 1 393.310 1.300 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000823620064 606709053 /nfs/dbraw/zinc/70/90/53/606709053.db2.gz HMSKDBCSGCHDJS-QMMMGPOBSA-N -1 1 393.310 1.300 20 5 GDBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000820462057 606728452 /nfs/dbraw/zinc/72/84/52/606728452.db2.gz ULBFOVLFULBOHB-SNVBAGLBSA-N -1 1 378.356 1.924 20 5 GDBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000820462057 606728454 /nfs/dbraw/zinc/72/84/54/606728454.db2.gz ULBFOVLFULBOHB-SNVBAGLBSA-N -1 1 378.356 1.924 20 5 GDBDMM CC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCS1 ZINC000820607786 606736228 /nfs/dbraw/zinc/73/62/28/606736228.db2.gz ZKRFTTKHMGEPHL-UHFFFAOYSA-N -1 1 384.443 1.291 20 5 GDBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000820803507 606807101 /nfs/dbraw/zinc/80/71/01/606807101.db2.gz BDEJXCRFSKOLAA-SNVBAGLBSA-N -1 1 385.363 1.419 20 5 GDBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000820803507 606807103 /nfs/dbraw/zinc/80/71/03/606807103.db2.gz BDEJXCRFSKOLAA-SNVBAGLBSA-N -1 1 385.363 1.419 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000823639911 606847304 /nfs/dbraw/zinc/84/73/04/606847304.db2.gz LQZWFLFEYJEVCN-UHFFFAOYSA-N -1 1 395.788 1.302 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000823639911 606847305 /nfs/dbraw/zinc/84/73/05/606847305.db2.gz LQZWFLFEYJEVCN-UHFFFAOYSA-N -1 1 395.788 1.302 20 5 GDBDMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000823383103 607105337 /nfs/dbraw/zinc/10/53/37/607105337.db2.gz LEISGBSRXFVWMI-UHFFFAOYSA-N -1 1 383.353 1.669 20 5 GDBDMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000823383103 607105339 /nfs/dbraw/zinc/10/53/39/607105339.db2.gz LEISGBSRXFVWMI-UHFFFAOYSA-N -1 1 383.353 1.669 20 5 GDBDMM COc1ccc(OC)c([C@@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821841200 607167123 /nfs/dbraw/zinc/16/71/23/607167123.db2.gz GGRVZFKXXDYLOU-LBPRGKRZSA-N -1 1 387.356 1.333 20 5 GDBDMM COc1ccc(OC)c([C@@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821841200 607167124 /nfs/dbraw/zinc/16/71/24/607167124.db2.gz GGRVZFKXXDYLOU-LBPRGKRZSA-N -1 1 387.356 1.333 20 5 GDBDMM Cc1nc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)sc1C ZINC000826326712 607820445 /nfs/dbraw/zinc/82/04/45/607820445.db2.gz AQNKOBLYXGDGQK-UHFFFAOYSA-N -1 1 387.429 1.570 20 5 GDBDMM Cc1nc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)sc1C ZINC000826326712 607820446 /nfs/dbraw/zinc/82/04/46/607820446.db2.gz AQNKOBLYXGDGQK-UHFFFAOYSA-N -1 1 387.429 1.570 20 5 GDBDMM Cc1cccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826299998 607866685 /nfs/dbraw/zinc/86/66/85/607866685.db2.gz DGYSTNUDFFLAED-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000826425250 608013039 /nfs/dbraw/zinc/01/30/39/608013039.db2.gz WBFASPJAWMOQGM-UHFFFAOYSA-N -1 1 397.380 1.734 20 5 GDBDMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000826425250 608013040 /nfs/dbraw/zinc/01/30/40/608013040.db2.gz WBFASPJAWMOQGM-UHFFFAOYSA-N -1 1 397.380 1.734 20 5 GDBDMM CC1(C)C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C(C)(C)O1 ZINC000824790812 609330717 /nfs/dbraw/zinc/33/07/17/609330717.db2.gz RLOCZLASBYACFW-NSHDSACASA-N -1 1 396.429 1.399 20 5 GDBDMM COc1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)ccc1[N+](=O)[O-] ZINC000826179895 609420519 /nfs/dbraw/zinc/42/05/19/609420519.db2.gz JTRZTZZZTNTLRJ-UHFFFAOYSA-N -1 1 393.363 1.850 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000101575055 644597562 /nfs/dbraw/zinc/59/75/62/644597562.db2.gz YBOMEFQRJJUEKP-VIFPVBQESA-N -1 1 387.801 1.824 20 5 GDBDMM CC1(C)COCCN1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000171760454 644877607 /nfs/dbraw/zinc/87/76/07/644877607.db2.gz TYSLIHGXVNCESL-UHFFFAOYSA-N -1 1 377.850 1.637 20 5 GDBDMM COC[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000219854772 645072404 /nfs/dbraw/zinc/07/24/04/645072404.db2.gz ZUXZOKOMCGZLQE-SECBINFHSA-N -1 1 383.220 1.033 20 5 GDBDMM COC(=O)CCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000921066264 660280848 /nfs/dbraw/zinc/28/08/48/660280848.db2.gz GWHSXGVLBWMWTL-UHFFFAOYSA-N -1 1 395.231 1.979 20 5 GDBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000461932557 647504005 /nfs/dbraw/zinc/50/40/05/647504005.db2.gz AQZWBFOILIYLST-UHFFFAOYSA-N -1 1 390.418 1.903 20 5 GDBDMM CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000480387930 647846253 /nfs/dbraw/zinc/84/62/53/647846253.db2.gz OIESBRAMICCQKQ-UHFFFAOYSA-N -1 1 396.493 1.990 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nnnn2-c2ccccc2)s1 ZINC000509346515 648283101 /nfs/dbraw/zinc/28/31/01/648283101.db2.gz UFEFYJYIEKIMSS-UHFFFAOYSA-N -1 1 380.411 1.153 20 5 GDBDMM Cc1nn(C)cc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000611971580 652924187 /nfs/dbraw/zinc/92/41/87/652924187.db2.gz RASNZIKGAWICCQ-UHFFFAOYSA-N -1 1 389.231 1.878 20 5 GDBDMM CCOC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000770282401 654507462 /nfs/dbraw/zinc/50/74/62/654507462.db2.gz SRAOILLNLVDXSF-VIFPVBQESA-N -1 1 377.806 1.757 20 5 GDBDMM COC(=O)C[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCOC1 ZINC000770302141 654508985 /nfs/dbraw/zinc/50/89/85/654508985.db2.gz VAGSDGWKOMCFLC-CQSZACIVSA-N -1 1 392.817 1.639 20 5 GDBDMM COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776795717 654708330 /nfs/dbraw/zinc/70/83/30/654708330.db2.gz UKSUEMIFRBDRQS-WCQYABFASA-N -1 1 394.833 1.347 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](O)c1ccco1 ZINC000751196723 654876863 /nfs/dbraw/zinc/87/68/63/654876863.db2.gz PFKQVRTZWIODKM-JTQLQIEISA-N -1 1 391.199 1.962 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCO1 ZINC000757725273 655042838 /nfs/dbraw/zinc/04/28/38/655042838.db2.gz JCSVKFKVCPNRFO-ZETCQYMHSA-N -1 1 383.195 1.954 20 5 GDBDMM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791422818 655071292 /nfs/dbraw/zinc/07/12/92/655071292.db2.gz JBQTVUSHMHKFFD-SECBINFHSA-N -1 1 398.268 1.901 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000809816888 655137686 /nfs/dbraw/zinc/13/76/86/655137686.db2.gz SWQKFCOWHYWNFX-SSDOTTSWSA-N -1 1 386.810 1.243 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOC[C@H]2CCCO2)cc1Cl ZINC000809817813 655138000 /nfs/dbraw/zinc/13/80/00/655138000.db2.gz PIKBQZQQMYHZHI-SECBINFHSA-N -1 1 382.797 1.861 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@](C)(O)c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000765172614 655232929 /nfs/dbraw/zinc/23/29/29/655232929.db2.gz SPRVFQUYCFRZNK-CQSZACIVSA-N -1 1 388.833 1.651 20 5 GDBDMM CC(C)N1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1=O ZINC000815008048 655277364 /nfs/dbraw/zinc/27/73/64/655277364.db2.gz LUUGNEASJXEUFG-QMMMGPOBSA-N -1 1 379.797 1.675 20 5 GDBDMM C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024309 655279545 /nfs/dbraw/zinc/27/95/45/655279545.db2.gz YKCVKJAKASOBPD-IUCAKERBSA-N -1 1 382.797 1.860 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CO)C1CCOCC1 ZINC000815042388 655283008 /nfs/dbraw/zinc/28/30/08/655283008.db2.gz MGDKUFHCBGHOKV-LLVKDONJSA-N -1 1 382.797 1.453 20 5 GDBDMM CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000841535720 655340537 /nfs/dbraw/zinc/34/05/37/655340537.db2.gz UUIZEQYVMLMPQI-SNVBAGLBSA-N -1 1 393.215 1.587 20 5 GDBDMM CN(C)C(=O)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000841557126 655346111 /nfs/dbraw/zinc/34/61/11/655346111.db2.gz JEXBMONIZCBTAN-UHFFFAOYSA-N -1 1 382.225 1.801 20 5 GDBDMM CC(=O)c1ccc(Br)c(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000842349941 655363007 /nfs/dbraw/zinc/36/30/07/655363007.db2.gz SGHYWTUBZXGSRI-PSASIEDQSA-N -1 1 391.199 1.122 20 5 GDBDMM O=C([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000842964847 655385217 /nfs/dbraw/zinc/38/52/17/655385217.db2.gz JQSHLDHCMDWAKK-RNFRBKRXSA-N -1 1 388.707 1.709 20 5 GDBDMM CCON(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000846005121 655443423 /nfs/dbraw/zinc/44/34/23/655443423.db2.gz ZTNYHLGUZPQPKD-UHFFFAOYSA-N -1 1 386.213 1.590 20 5 GDBDMM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000848466797 655493052 /nfs/dbraw/zinc/49/30/52/655493052.db2.gz GNDWOHRJNJMVCY-LLVKDONJSA-N -1 1 383.220 1.033 20 5 GDBDMM Cn1cnc(CCC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000827925689 655517817 /nfs/dbraw/zinc/51/78/17/655517817.db2.gz ZPHIYCSIWCTOPI-UHFFFAOYSA-N -1 1 377.785 1.427 20 5 GDBDMM C[C@H]1CN(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000849430066 655533907 /nfs/dbraw/zinc/53/39/07/655533907.db2.gz YSHOGCMOKJXDBT-QWRGUYRKSA-N -1 1 377.850 1.636 20 5 GDBDMM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000852734397 955838248 /nfs/dbraw/zinc/83/82/48/955838248.db2.gz AQHSQXFHAXWDNH-OLZOCXBDSA-N -1 1 389.330 1.733 20 5 GDBDMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC001574455159 961506593 /nfs/dbraw/zinc/50/65/93/961506593.db2.gz XGKDJKKOKSCVKU-WDEREUQCSA-N -1 1 398.379 1.535 20 5 GDBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000827374751 978957599 /nfs/dbraw/zinc/95/75/99/978957599.db2.gz LRNHWAOCZMTWHM-AWEZNQCLSA-N -1 1 390.440 1.816 20 5 GDBDMM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC001598772906 995900266 /nfs/dbraw/zinc/90/02/66/995900266.db2.gz AXBUEPAXXGZVCZ-IINYFYTJSA-N -1 1 380.353 1.300 20 5 GDBDMM C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001594248972 998950126 /nfs/dbraw/zinc/95/01/26/998950126.db2.gz FMJZTSKOEZPYBO-DGCLKSJQSA-N -1 1 383.426 1.540 20 5 GDBDMM C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594251072 998965639 /nfs/dbraw/zinc/96/56/39/998965639.db2.gz RTMQOPWBOOCQKM-WCQYABFASA-N -1 1 383.426 1.540 20 5 GDBDMM C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])N1CCC(C)CC1 ZINC001594412906 999543330 /nfs/dbraw/zinc/54/33/30/999543330.db2.gz VHJSEDCQMPPDDK-LBPRGKRZSA-N -1 1 385.442 1.692 20 5 GDBDMM CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000178925971 530731017 /nfs/dbraw/zinc/73/10/17/530731017.db2.gz PDDMXZJPSTVGLB-NSHDSACASA-N -1 1 394.247 1.406 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nnnn1-c1ccccc1 ZINC000115593689 530901401 /nfs/dbraw/zinc/90/14/01/530901401.db2.gz GOMXDQQVSDBFQD-SECBINFHSA-N -1 1 380.411 1.672 20 5 GDBDMM O=C(NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1c(F)cccc1F ZINC000112706815 530883913 /nfs/dbraw/zinc/88/39/13/530883913.db2.gz DEPJZHUQVRXKKQ-UHFFFAOYSA-N -1 1 391.377 1.643 20 5 GDBDMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(N)=O ZINC000113290327 530888635 /nfs/dbraw/zinc/88/86/35/530888635.db2.gz FJBUHIGGEXHCIQ-JTQLQIEISA-N -1 1 394.247 1.536 20 5 GDBDMM C[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[S@](C)=O ZINC000124068700 530991182 /nfs/dbraw/zinc/99/11/82/530991182.db2.gz VARBFLJFMVEHBB-FFVOIRBGSA-N -1 1 399.288 1.793 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C=C[C@H](CO)C1 ZINC000124563956 530997790 /nfs/dbraw/zinc/99/77/90/530997790.db2.gz MRGKNYHMFJFCSA-WCBMZHEXSA-N -1 1 377.216 1.573 20 5 GDBDMM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000223579036 531028991 /nfs/dbraw/zinc/02/89/91/531028991.db2.gz MPXMCKGXRWDRLQ-XVKPBYJWSA-N -1 1 399.288 1.748 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]CCN2CCc3sccc3C2)c([N+](=O)[O-])n1 ZINC000435804252 531271664 /nfs/dbraw/zinc/27/16/64/531271664.db2.gz PDUSMVVKPUMSSX-UHFFFAOYSA-N -1 1 385.471 1.209 20 5 GDBDMM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000266179426 531320683 /nfs/dbraw/zinc/32/06/83/531320683.db2.gz KXKAZYHYRFMHBT-UHFFFAOYSA-N -1 1 385.423 1.918 20 5 GDBDMM Cn1cc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000293951496 531453374 /nfs/dbraw/zinc/45/33/74/531453374.db2.gz GPLKPYHNRJZXFW-UHFFFAOYSA-N -1 1 378.332 1.868 20 5 GDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCS(=O)(=O)c1ccccc1 ZINC000610263560 531498797 /nfs/dbraw/zinc/49/87/97/531498797.db2.gz LTNVSDOPMHMFHO-UHFFFAOYSA-N -1 1 385.423 1.132 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cnc(OC)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000451784722 531684411 /nfs/dbraw/zinc/68/44/11/531684411.db2.gz DWGCWWGUUAKBAB-UHFFFAOYSA-N -1 1 375.794 1.347 20 5 GDBDMM COC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000416618695 531708463 /nfs/dbraw/zinc/70/84/63/531708463.db2.gz PGFVVVXPDHCZRL-OTSSQURYSA-N -1 1 393.215 1.587 20 5 GDBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000591575914 531724988 /nfs/dbraw/zinc/72/49/88/531724988.db2.gz XICPINYUNFYNPD-UHFFFAOYSA-N -1 1 385.423 1.660 20 5 GDBDMM C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000298812922 531925234 /nfs/dbraw/zinc/92/52/34/531925234.db2.gz LKCPWFCHSSIGBH-SECBINFHSA-N -1 1 389.231 1.921 20 5 GDBDMM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000285710094 532107353 /nfs/dbraw/zinc/10/73/53/532107353.db2.gz SZDVGLXVTRFPAR-UHFFFAOYSA-N -1 1 396.874 1.884 20 5 GDBDMM C[C@H](CCO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000286021202 532127362 /nfs/dbraw/zinc/12/73/62/532127362.db2.gz PDLBJDFSEMKCQB-SSDOTTSWSA-N -1 1 385.211 1.793 20 5 GDBDMM Cc1nc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c(Br)n1C ZINC000286585495 532161913 /nfs/dbraw/zinc/16/19/13/532161913.db2.gz KEDSEKSKVWCGQM-UHFFFAOYSA-N -1 1 389.231 1.878 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H](CO)CC(F)F ZINC000428384604 532204282 /nfs/dbraw/zinc/20/42/82/532204282.db2.gz OIVKTTUTDCTFDF-SSDOTTSWSA-N -1 1 389.174 1.652 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c([N+](=O)[O-])n1 ZINC000429901314 532238770 /nfs/dbraw/zinc/23/87/70/532238770.db2.gz JAHVOYYVOFJHBG-UHFFFAOYSA-N -1 1 382.295 1.846 20 5 GDBDMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000736129960 598266770 /nfs/dbraw/zinc/26/67/70/598266770.db2.gz KLVKVGZLRAHVDC-SECBINFHSA-N -1 1 375.370 1.209 20 5 GDBDMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000736129960 598266771 /nfs/dbraw/zinc/26/67/71/598266771.db2.gz KLVKVGZLRAHVDC-SECBINFHSA-N -1 1 375.370 1.209 20 5 GDBDMM CCc1nn(CCCOc2ccc([N+](=O)[O-])cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705983 598378074 /nfs/dbraw/zinc/37/80/74/598378074.db2.gz RKQZWQSJVYWQKK-UHFFFAOYSA-N -1 1 399.411 1.926 20 5 GDBDMM CCc1nn(CCOc2cccc([N+](=O)[O-])c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707780 598378617 /nfs/dbraw/zinc/37/86/17/598378617.db2.gz TUNSNZGGQCOMRE-UHFFFAOYSA-N -1 1 385.384 1.535 20 5 GDBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000600869086 601107373 /nfs/dbraw/zinc/10/73/73/601107373.db2.gz JXIDPBNSVLXJJT-GFCCVEGCSA-N -1 1 376.413 1.790 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826500494 607597932 /nfs/dbraw/zinc/59/79/32/607597932.db2.gz ZYMGUESSPDJSQZ-NEPJUHHUSA-N -1 1 386.393 1.609 20 5 GDBDMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000739208493 603092255 /nfs/dbraw/zinc/09/22/55/603092255.db2.gz MVBRMGRMINKJAX-PRHODGIISA-N -1 1 377.357 1.704 20 5 GDBDMM Cc1nc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cs1 ZINC000826323344 607612265 /nfs/dbraw/zinc/61/22/65/607612265.db2.gz ARGKBQQUBKDFGQ-SSDOTTSWSA-N -1 1 395.426 1.579 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC/C=C\c2ccccc2)c1-c1nn[n-]n1 ZINC000826500444 607616246 /nfs/dbraw/zinc/61/62/46/607616246.db2.gz YLSCIZVQXXWOAC-YVMONPNESA-N -1 1 386.393 1.767 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC3CCC2CC3)c1-c1nn[n-]n1 ZINC000826500425 607675666 /nfs/dbraw/zinc/67/56/66/607675666.db2.gz YFRAGMQIQOFAHD-ILDUYXDCSA-N -1 1 378.414 1.632 20 5 GDBDMM Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890760 604278153 /nfs/dbraw/zinc/27/81/53/604278153.db2.gz BEEIRLYJAKUOLK-HNNXBMFYSA-N -1 1 376.413 1.344 20 5 GDBDMM C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@@H]2CC(=O)[O-])C1=O ZINC000828123152 604981187 /nfs/dbraw/zinc/98/11/87/604981187.db2.gz UJOUUIXYSDPYNV-CXAGYDPISA-N -1 1 376.369 1.258 20 5 GDBDMM CCN(Cc1ccccc1)C(=O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821221127 606701470 /nfs/dbraw/zinc/70/14/70/606701470.db2.gz INUODFWEMWXZGF-UHFFFAOYSA-N -1 1 382.384 1.631 20 5 GDBDMM CCN(Cc1ccccc1)C(=O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821221127 606701472 /nfs/dbraw/zinc/70/14/72/606701472.db2.gz 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C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000278700712 531381119 /nfs/dbraw/zinc/38/11/19/531381119.db2.gz JTVLCCZJJBZKMN-UFBFGSQYSA-N -1 1 395.231 1.176 20 5 GDBDMM COCCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000485922341 531440428 /nfs/dbraw/zinc/44/04/28/531440428.db2.gz FRKMFRLEJHARLM-YPMHNXCESA-N -1 1 394.833 1.347 20 5 GDBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000488676362 531489000 /nfs/dbraw/zinc/48/90/00/531489000.db2.gz WSQHXJRHMMUQHH-NSHDSACASA-N -1 1 395.231 1.833 20 5 GDBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000280768779 531537363 /nfs/dbraw/zinc/53/73/63/531537363.db2.gz BNRMDARZAIWTNT-UHFFFAOYSA-N -1 1 387.399 1.469 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)NCC1CC1 ZINC000295210968 531541648 /nfs/dbraw/zinc/54/16/48/531541648.db2.gz UQDAORZUHHVWFA-UHFFFAOYSA-N -1 1 382.225 1.706 20 5 GDBDMM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC(=O)N1 ZINC000416502660 531651994 /nfs/dbraw/zinc/65/19/94/531651994.db2.gz QXGLTFLLSDSVGO-GFCCVEGCSA-N -1 1 392.231 1.304 20 5 GDBDMM CC[C@@](COC)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000416514859 531657071 /nfs/dbraw/zinc/65/70/71/531657071.db2.gz JHDRWTAPUAZEHL-ZDUSSCGKSA-N -1 1 380.806 1.495 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000599209699 532012980 /nfs/dbraw/zinc/01/29/80/532012980.db2.gz BZVQNWKNRLRBBD-MRVPVSSYSA-N -1 1 376.341 1.969 20 5 GDBDMM COC(=O)C1([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC000286291768 532140283 /nfs/dbraw/zinc/14/02/83/532140283.db2.gz GBJMIFZAWOUUDE-UHFFFAOYSA-N -1 1 397.178 1.480 20 5 GDBDMM CN(C)S(=O)(=O)C[C@@H]([N-]c1nc2sccn2c1[N+](=O)[O-])C(F)(F)F ZINC000286563145 532160292 /nfs/dbraw/zinc/16/02/92/532160292.db2.gz KVNKFRPMGALNDH-ZCFIWIBFSA-N -1 1 387.365 1.538 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)CC(F)F)c(C(F)(F)F)c1 ZINC000428424834 532206941 /nfs/dbraw/zinc/20/69/41/532206941.db2.gz SSJVTISKOBUEQA-ZCFIWIBFSA-N -1 1 378.275 1.908 20 5 GDBDMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000274932876 532243450 /nfs/dbraw/zinc/24/34/50/532243450.db2.gz DNKWPLUDJTWPTF-GFCCVEGCSA-N -1 1 391.833 1.466 20 5 GDBDMM O=C([O-])[C@H]1[C@H]2CCC[N@H+]2CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377152186 532244589 /nfs/dbraw/zinc/24/45/89/532244589.db2.gz OIMHSWOMACEHEK-ZWNOBZJWSA-N -1 1 389.817 1.170 20 5 GDBDMM O=C([O-])[C@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377152186 532244590 /nfs/dbraw/zinc/24/45/90/532244590.db2.gz OIMHSWOMACEHEK-ZWNOBZJWSA-N -1 1 389.817 1.170 20 5 GDBDMM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290010772 532335242 /nfs/dbraw/zinc/33/52/42/532335242.db2.gz XMEWYFAXHKEVOQ-SSDOTTSWSA-N -1 1 375.161 1.691 20 5 GDBDMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736156957 599134105 /nfs/dbraw/zinc/13/41/05/599134105.db2.gz GNMPVBHSORJWMS-SECBINFHSA-N -1 1 383.324 1.354 20 5 GDBDMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736156957 599134108 /nfs/dbraw/zinc/13/41/08/599134108.db2.gz GNMPVBHSORJWMS-SECBINFHSA-N -1 1 383.324 1.354 20 5 GDBDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000736938706 599159003 /nfs/dbraw/zinc/15/90/03/599159003.db2.gz ASVLRKUTEPYKNU-UHFFFAOYSA-N -1 1 390.743 1.425 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738370209 598266355 /nfs/dbraw/zinc/26/63/55/598266355.db2.gz ODMMNGWHGPDSHH-UHFFFAOYSA-N -1 1 394.800 1.907 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000823630284 599368176 /nfs/dbraw/zinc/36/81/76/599368176.db2.gz VUDYOQLJFCFEGX-UHFFFAOYSA-N -1 1 396.335 1.532 20 5 GDBDMM O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000738367641 599594480 /nfs/dbraw/zinc/59/44/80/599594480.db2.gz WZMDXQISSZRWMI-UHFFFAOYSA-N -1 1 387.381 1.311 20 5 GDBDMM O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000738367641 599594482 /nfs/dbraw/zinc/59/44/82/599594482.db2.gz WZMDXQISSZRWMI-UHFFFAOYSA-N -1 1 387.381 1.311 20 5 GDBDMM C[C@H](NC(=O)c1ccc(N2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655512 600207251 /nfs/dbraw/zinc/20/72/51/600207251.db2.gz DQKWCFFICAQFLE-NSHDSACASA-N -1 1 387.396 1.905 20 5 GDBDMM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(CC2CCOCC2)CC1 ZINC000740094418 600207433 /nfs/dbraw/zinc/20/74/33/600207433.db2.gz DPQRGJIIXRJYMM-UHFFFAOYSA-N -1 1 394.384 1.750 20 5 GDBDMM CCCS(=O)(=O)NC1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000825342973 607451819 /nfs/dbraw/zinc/45/18/19/607451819.db2.gz ZQELCADEOKXVJG-UHFFFAOYSA-N -1 1 395.445 1.073 20 5 GDBDMM CCCS(=O)(=O)NC1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000825342973 607451820 /nfs/dbraw/zinc/45/18/20/607451820.db2.gz ZQELCADEOKXVJG-UHFFFAOYSA-N -1 1 395.445 1.073 20 5 GDBDMM O=C([O-])[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cc1ccc(O)cc1 ZINC000739407294 600588568 /nfs/dbraw/zinc/58/85/68/600588568.db2.gz HGTZUWAKGSYTHM-NSHDSACASA-N -1 1 384.348 1.850 20 5 GDBDMM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000826473746 607522522 /nfs/dbraw/zinc/52/25/22/607522522.db2.gz MFHZZLSIKVKMNW-UHFFFAOYSA-N -1 1 394.395 1.128 20 5 GDBDMM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826473746 607522523 /nfs/dbraw/zinc/52/25/23/607522523.db2.gz MFHZZLSIKVKMNW-UHFFFAOYSA-N -1 1 394.395 1.128 20 5 GDBDMM C[C@]1(C(=O)[O-])CCN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000828029360 601888602 /nfs/dbraw/zinc/88/86/02/601888602.db2.gz ZFFOWIHUPPGNOA-IRXDYDNUSA-N -1 1 376.369 1.116 20 5 GDBDMM O=C([O-])c1cc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000833297500 601936953 /nfs/dbraw/zinc/93/69/53/601936953.db2.gz GYOMMXJDRPRSQO-GOSISDBHSA-N -1 1 399.403 1.442 20 5 GDBDMM O=[N+]([O-])c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000826499554 607573013 /nfs/dbraw/zinc/57/30/13/607573013.db2.gz NEZKDHNKHZZYFT-UHFFFAOYSA-N -1 1 392.309 1.451 20 5 GDBDMM COc1ccccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826220238 607573225 /nfs/dbraw/zinc/57/32/25/607573225.db2.gz GXVBHJQTCBYGSO-UHFFFAOYSA-N -1 1 390.381 1.262 20 5 GDBDMM O=Cc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000826484206 607574240 /nfs/dbraw/zinc/57/42/40/607574240.db2.gz SAJCHXFXBQOTPE-UHFFFAOYSA-N -1 1 375.322 1.355 20 5 GDBDMM C[C@@H](CCc1ccco1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824412676 607577906 /nfs/dbraw/zinc/57/79/06/607577906.db2.gz DKIKOUYCVVVHJH-JTQLQIEISA-N -1 1 392.397 1.668 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N(C2CC2)C2CCCC2)c1-c1nn[n-]n1 ZINC000826499426 607586402 /nfs/dbraw/zinc/58/64/02/607586402.db2.gz IFQWWCDGCLEHAO-UHFFFAOYSA-N -1 1 378.414 1.871 20 5 GDBDMM Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826339254 607615502 /nfs/dbraw/zinc/61/55/02/607615502.db2.gz XMOUQWBTBHQJOE-MRVPVSSYSA-N -1 1 393.385 1.419 20 5 GDBDMM C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1CCC(=O)[O-] ZINC000833618987 605250292 /nfs/dbraw/zinc/25/02/92/605250292.db2.gz ACTRZERARXISKR-CQSZACIVSA-N -1 1 390.440 1.816 20 5 GDBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822331613 606140765 /nfs/dbraw/zinc/14/07/65/606140765.db2.gz IHCJZKHVBOLIOC-UHFFFAOYSA-N -1 1 388.365 1.940 20 5 GDBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822331613 606140766 /nfs/dbraw/zinc/14/07/66/606140766.db2.gz IHCJZKHVBOLIOC-UHFFFAOYSA-N -1 1 388.365 1.940 20 5 GDBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000823436121 606517945 /nfs/dbraw/zinc/51/79/45/606517945.db2.gz HNBAETNAUBJJSA-UHFFFAOYSA-N -1 1 393.323 1.108 20 5 GDBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000823436121 606517947 /nfs/dbraw/zinc/51/79/47/606517947.db2.gz HNBAETNAUBJJSA-UHFFFAOYSA-N -1 1 393.323 1.108 20 5 GDBDMM CN(C)C(=O)COc1cccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC000821577862 606645408 /nfs/dbraw/zinc/64/54/08/606645408.db2.gz ADJBZUYORSDQLD-UHFFFAOYSA-N -1 1 397.395 1.854 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000823620815 606709133 /nfs/dbraw/zinc/70/91/33/606709133.db2.gz QPNIEIWPPBLJOJ-SNVBAGLBSA-N -1 1 382.388 1.092 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000823620815 606709135 /nfs/dbraw/zinc/70/91/35/606709135.db2.gz QPNIEIWPPBLJOJ-SNVBAGLBSA-N -1 1 382.388 1.092 20 5 GDBDMM CC(C)n1cnnc1[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820214422 606710786 /nfs/dbraw/zinc/71/07/86/606710786.db2.gz ALAZDAAHHDYLLQ-NSHDSACASA-N -1 1 384.404 1.726 20 5 GDBDMM CC(C)n1cnnc1[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820214422 606710787 /nfs/dbraw/zinc/71/07/87/606710787.db2.gz ALAZDAAHHDYLLQ-NSHDSACASA-N -1 1 384.404 1.726 20 5 GDBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H](C)S1 ZINC000820769511 606734497 /nfs/dbraw/zinc/73/44/97/606734497.db2.gz UYCZZFURHZPPKQ-RKDXNWHRSA-N -1 1 384.443 1.289 20 5 GDBDMM CN(c1c(F)cccc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821619046 607155708 /nfs/dbraw/zinc/15/57/08/607155708.db2.gz GXVWQESOLKXURK-UHFFFAOYSA-N -1 1 396.335 1.878 20 5 GDBDMM COc1ccc(OC)c2c1CN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C[C@@H]2O ZINC000821843023 607164744 /nfs/dbraw/zinc/16/47/44/607164744.db2.gz XRVJQLVEXSFPPI-NSHDSACASA-N -1 1 399.367 1.241 20 5 GDBDMM COc1ccc(OC)c2c1CN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C[C@@H]2O ZINC000821843023 607164745 /nfs/dbraw/zinc/16/47/45/607164745.db2.gz XRVJQLVEXSFPPI-NSHDSACASA-N -1 1 399.367 1.241 20 5 GDBDMM O=C(c1ccccc1)N1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823493484 607167833 /nfs/dbraw/zinc/16/78/33/607167833.db2.gz OFFGKDRRNLMJPA-UHFFFAOYSA-N -1 1 394.395 1.522 20 5 GDBDMM O=C(c1ccccc1)N1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823493484 607167835 /nfs/dbraw/zinc/16/78/35/607167835.db2.gz OFFGKDRRNLMJPA-UHFFFAOYSA-N -1 1 394.395 1.522 20 5 GDBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826304185 607866983 /nfs/dbraw/zinc/86/69/83/607866983.db2.gz BBHNLENLFIFMEX-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826304185 607866984 /nfs/dbraw/zinc/86/69/84/607866984.db2.gz BBHNLENLFIFMEX-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM O=C1C[C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000826479159 607969005 /nfs/dbraw/zinc/96/90/05/607969005.db2.gz RTKFUKZKIIGCDB-ZDUSSCGKSA-N -1 1 394.395 1.631 20 5 GDBDMM O=C1C[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000826479159 607969006 /nfs/dbraw/zinc/96/90/06/607969006.db2.gz RTKFUKZKIIGCDB-ZDUSSCGKSA-N -1 1 394.395 1.631 20 5 GDBDMM O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826498093 608173646 /nfs/dbraw/zinc/17/36/46/608173646.db2.gz HMTXUPXJFCKHHQ-SCZZXKLOSA-N -1 1 397.804 1.391 20 5 GDBDMM O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826498093 608173647 /nfs/dbraw/zinc/17/36/47/608173647.db2.gz HMTXUPXJFCKHHQ-SCZZXKLOSA-N -1 1 397.804 1.391 20 5 GDBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824991455 609610697 /nfs/dbraw/zinc/61/06/97/609610697.db2.gz BEZUSXMNNTXUMR-SNVBAGLBSA-N -1 1 380.430 1.832 20 5 GDBDMM CN(C)C(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000537021471 650286289 /nfs/dbraw/zinc/28/62/89/650286289.db2.gz XXHYGTPBXZASSD-JOYOIKCWSA-N -1 1 391.833 1.162 20 5 GDBDMM CCn1cc(Br)c(=O)c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000542737833 650411388 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531582470 /nfs/dbraw/zinc/58/24/70/531582470.db2.gz IFDZANIYTSIZMT-UHFFFAOYSA-N -1 1 379.797 1.678 20 5 GDBDMM C[C@@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296066081 531649251 /nfs/dbraw/zinc/64/92/51/531649251.db2.gz PFJITCRGISMEET-LHLIQPBNSA-N -1 1 382.225 1.705 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000561561077 531712653 /nfs/dbraw/zinc/71/26/53/531712653.db2.gz LFRSOJKGSRTTEV-GFCCVEGCSA-N -1 1 388.833 1.867 20 5 GDBDMM COC(=O)[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCSC1 ZINC000270239555 531846510 /nfs/dbraw/zinc/84/65/10/531846510.db2.gz KUZMDEAFCMJSTQ-LBPRGKRZSA-N -1 1 380.831 1.575 20 5 GDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[nH]1 ZINC000285437842 532083223 /nfs/dbraw/zinc/08/32/23/532083223.db2.gz RNTPGTJZDHKXFX-ZCFIWIBFSA-N -1 1 390.219 1.823 20 5 GDBDMM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n[nH]1 ZINC000285437842 532083228 /nfs/dbraw/zinc/08/32/28/532083228.db2.gz RNTPGTJZDHKXFX-ZCFIWIBFSA-N -1 1 390.219 1.823 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCS(=O)(=O)C1 ZINC000286565447 532160182 /nfs/dbraw/zinc/16/01/82/532160182.db2.gz DQUSNISNPGNHLH-VIFPVBQESA-N -1 1 382.847 1.351 20 5 GDBDMM C[S@](=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000432180983 532278941 /nfs/dbraw/zinc/27/89/41/532278941.db2.gz YLBPTQHADVEVOK-DEOSSOPVSA-N -1 1 384.391 1.831 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(F)(F)F ZINC000288338734 532283439 /nfs/dbraw/zinc/28/34/39/532283439.db2.gz HXYWQCHUEYMCKD-SSDOTTSWSA-N -1 1 383.304 1.781 20 5 GDBDMM O=C1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCN1c1cccnc1 ZINC000378649917 532294229 /nfs/dbraw/zinc/29/42/29/532294229.db2.gz NZNVKFKJGQXKGW-NSHDSACASA-N -1 1 382.423 1.525 20 5 GDBDMM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290010775 532335250 /nfs/dbraw/zinc/33/52/50/532335250.db2.gz XMEWYFAXHKEVOQ-ZETCQYMHSA-N -1 1 375.161 1.691 20 5 GDBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000737771114 598892216 /nfs/dbraw/zinc/89/22/16/598892216.db2.gz PYCKADQBPAXAMI-UHFFFAOYSA-N -1 1 379.134 1.005 20 5 GDBDMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000737274576 598986298 /nfs/dbraw/zinc/98/62/98/598986298.db2.gz OKDCQGFXLVAXEX-UHFFFAOYSA-N -1 1 391.351 1.916 20 5 GDBDMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000737274576 598986299 /nfs/dbraw/zinc/98/62/99/598986299.db2.gz OKDCQGFXLVAXEX-UHFFFAOYSA-N -1 1 391.351 1.916 20 5 GDBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000821601646 599142146 /nfs/dbraw/zinc/14/21/46/599142146.db2.gz RVEQISGIMBVAMQ-UHFFFAOYSA-N -1 1 377.796 1.803 20 5 GDBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000821601646 599142148 /nfs/dbraw/zinc/14/21/48/599142148.db2.gz RVEQISGIMBVAMQ-UHFFFAOYSA-N -1 1 377.796 1.803 20 5 GDBDMM O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738368381 598687509 /nfs/dbraw/zinc/68/75/09/598687509.db2.gz CTFKUUNKOVQVFT-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM Cc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000737365557 598689211 /nfs/dbraw/zinc/68/92/11/598689211.db2.gz IMJDHASJRYYTMP-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736130809 598691243 /nfs/dbraw/zinc/69/12/43/598691243.db2.gz NUSRPDBAYUSICB-SECBINFHSA-N -1 1 392.372 1.954 20 5 GDBDMM CC[C@](C)(O)CNc1cc(NC[C@@](C)(O)CC)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000820862126 599514417 /nfs/dbraw/zinc/51/44/17/599514417.db2.gz PCTBDSPAHCEECK-IRXDYDNUSA-N -1 1 393.448 1.921 20 5 GDBDMM CC[C@](C)(O)CNc1cc(NC[C@@](C)(O)CC)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000820862126 599514419 /nfs/dbraw/zinc/51/44/19/599514419.db2.gz PCTBDSPAHCEECK-IRXDYDNUSA-N -1 1 393.448 1.921 20 5 GDBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc([N+](=O)[O-])c1 ZINC000484537124 600689851 /nfs/dbraw/zinc/68/98/51/600689851.db2.gz HPGSVTCQHKTIOB-UHFFFAOYSA-N -1 1 391.361 1.380 20 5 GDBDMM CC(C)COCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824271507 607580006 /nfs/dbraw/zinc/58/00/06/607580006.db2.gz OFYUGHURGYFHMM-UHFFFAOYSA-N -1 1 384.418 1.116 20 5 GDBDMM CCCN(CC(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825308006 607586810 /nfs/dbraw/zinc/58/68/10/607586810.db2.gz SUDVTVQWHKAJTJ-UHFFFAOYSA-N -1 1 394.335 1.738 20 5 GDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000826357885 607587870 /nfs/dbraw/zinc/58/78/70/607587870.db2.gz VFAJFDGLUDNOOX-UHFFFAOYSA-N -1 1 382.262 1.780 20 5 GDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000826357885 607587871 /nfs/dbraw/zinc/58/78/71/607587871.db2.gz VFAJFDGLUDNOOX-UHFFFAOYSA-N -1 1 382.262 1.780 20 5 GDBDMM Cc1nc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cs1 ZINC000826326553 607591170 /nfs/dbraw/zinc/59/11/70/607591170.db2.gz UZZPSGFDFXRXQM-UHFFFAOYSA-N -1 1 381.399 1.018 20 5 GDBDMM C[C@H]1CCC[C@H](C)C1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824925600 607617937 /nfs/dbraw/zinc/61/79/37/607617937.db2.gz FTLWCSUGWXMGFK-UWVGGRQHSA-N -1 1 380.430 1.878 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826500163 607673057 /nfs/dbraw/zinc/67/30/57/607673057.db2.gz NJWWIRMZYUGUCB-CKYFFXLPSA-N -1 1 394.413 1.011 20 5 GDBDMM CNC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000833700005 605327397 /nfs/dbraw/zinc/32/73/97/605327397.db2.gz GBPUJBKVANIYHE-UHFFFAOYSA-N -1 1 379.350 1.453 20 5 GDBDMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000834181075 605431681 /nfs/dbraw/zinc/43/16/81/605431681.db2.gz BANJBMCRBJQXPZ-NUEKZKHPSA-N -1 1 388.424 1.852 20 5 GDBDMM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1[N+](=O)[O-] ZINC000822229121 606435777 /nfs/dbraw/zinc/43/57/77/606435777.db2.gz MZIJOSAMTOPPSR-JTQLQIEISA-N -1 1 389.397 1.518 20 5 GDBDMM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1[N+](=O)[O-] ZINC000822229121 606435779 /nfs/dbraw/zinc/43/57/79/606435779.db2.gz MZIJOSAMTOPPSR-JTQLQIEISA-N -1 1 389.397 1.518 20 5 GDBDMM COCc1cc([N+](=O)[O-])ccc1N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821695426 606443477 /nfs/dbraw/zinc/44/34/77/606443477.db2.gz YUTRGOWBJODLPC-UHFFFAOYSA-N -1 1 387.404 1.296 20 5 GDBDMM COCc1cc([N+](=O)[O-])ccc1N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000821695426 606443479 /nfs/dbraw/zinc/44/34/79/606443479.db2.gz YUTRGOWBJODLPC-UHFFFAOYSA-N -1 1 387.404 1.296 20 5 GDBDMM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823136416 606648563 /nfs/dbraw/zinc/64/85/63/606648563.db2.gz ZMTBNDHTKYTTQP-UHFFFAOYSA-N -1 1 380.324 1.263 20 5 GDBDMM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823136416 606648564 /nfs/dbraw/zinc/64/85/64/606648564.db2.gz ZMTBNDHTKYTTQP-UHFFFAOYSA-N -1 1 380.324 1.263 20 5 GDBDMM O=C1[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000823512378 606703708 /nfs/dbraw/zinc/70/37/08/606703708.db2.gz OEAQFLSZHROUKF-CYBMUJFWSA-N -1 1 380.368 1.383 20 5 GDBDMM O=C1[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000823512378 606703710 /nfs/dbraw/zinc/70/37/10/606703710.db2.gz OEAQFLSZHROUKF-CYBMUJFWSA-N -1 1 380.368 1.383 20 5 GDBDMM Cc1ccc(N2CCC[C@H](Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)nn1 ZINC000822242842 606708692 /nfs/dbraw/zinc/70/86/92/606708692.db2.gz ZUYKONHXWMWUNU-NSHDSACASA-N -1 1 382.388 1.349 20 5 GDBDMM Cc1ccc(N2CCC[C@H](Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)nn1 ZINC000822242842 606708694 /nfs/dbraw/zinc/70/86/94/606708694.db2.gz ZUYKONHXWMWUNU-NSHDSACASA-N -1 1 382.388 1.349 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)c1-c1nn[n-]n1 ZINC000823648436 606737433 /nfs/dbraw/zinc/73/74/33/606737433.db2.gz WYHINXBALMEDDW-QWRGUYRKSA-N -1 1 378.414 1.586 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(CCCC3)C2)c1-c1nn[n-]n1 ZINC000823647458 606737535 /nfs/dbraw/zinc/73/75/35/606737535.db2.gz KBRWGGROIHWPKC-UHFFFAOYSA-N -1 1 378.414 1.730 20 5 GDBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000820803660 606775406 /nfs/dbraw/zinc/77/54/06/606775406.db2.gz DSMNFFKTTFCJMF-GFCCVEGCSA-N -1 1 381.400 1.276 20 5 GDBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000820804619 606783493 /nfs/dbraw/zinc/78/34/93/606783493.db2.gz VYKPIHKRRXGJBF-LLVKDONJSA-N -1 1 399.390 1.415 20 5 GDBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000820804619 606783495 /nfs/dbraw/zinc/78/34/95/606783495.db2.gz VYKPIHKRRXGJBF-LLVKDONJSA-N -1 1 399.390 1.415 20 5 GDBDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)n[nH]1 ZINC000819958065 606787782 /nfs/dbraw/zinc/78/77/82/606787782.db2.gz HLRVJYQAKLUKPQ-UHFFFAOYSA-N -1 1 392.401 1.596 20 5 GDBDMM Cc1oc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cn2)c(-c2nn[n-]n2)c1C ZINC000822547996 606796548 /nfs/dbraw/zinc/79/65/48/606796548.db2.gz DLBXCHHZAQLJJV-UHFFFAOYSA-N -1 1 387.312 1.175 20 5 GDBDMM Cc1occc1-c1nnc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1N ZINC000822553147 607028351 /nfs/dbraw/zinc/02/83/51/607028351.db2.gz JCDKUMYQPVUQOP-UHFFFAOYSA-N -1 1 386.357 1.195 20 5 GDBDMM Cc1occc1-c1nnc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1N ZINC000822553147 607028353 /nfs/dbraw/zinc/02/83/53/607028353.db2.gz JCDKUMYQPVUQOP-UHFFFAOYSA-N -1 1 386.357 1.195 20 5 GDBDMM O=[N+]([O-])c1cccc(OC[C@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826499779 607874807 /nfs/dbraw/zinc/87/48/07/607874807.db2.gz XDPMSNQYDAMTQY-NSHDSACASA-N -1 1 375.316 1.733 20 5 GDBDMM O=[N+]([O-])c1cccc(OC[C@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826499779 607874808 /nfs/dbraw/zinc/87/48/08/607874808.db2.gz XDPMSNQYDAMTQY-NSHDSACASA-N -1 1 375.316 1.733 20 5 GDBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)nc1 ZINC000826498843 608193345 /nfs/dbraw/zinc/19/33/45/608193345.db2.gz LUFNGNHFLPQHNM-SSDOTTSWSA-N -1 1 393.820 1.971 20 5 GDBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)nc1 ZINC000826498843 608193346 /nfs/dbraw/zinc/19/33/46/608193346.db2.gz LUFNGNHFLPQHNM-SSDOTTSWSA-N -1 1 393.820 1.971 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]([S@@](=O)CC)C2)c([N+](=O)[O-])n1 ZINC000533632526 650211187 /nfs/dbraw/zinc/21/11/87/650211187.db2.gz KXECAKRZGLIZEX-HFXCSBFXSA-N -1 1 378.476 1.169 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])n1 ZINC000541760740 650389756 /nfs/dbraw/zinc/38/97/56/650389756.db2.gz MXVZYDQGHQMKMG-JTQLQIEISA-N -1 1 392.796 1.616 20 5 GDBDMM NC(=O)[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000551992003 650616041 /nfs/dbraw/zinc/61/60/41/650616041.db2.gz CCULZVPJAHBVER-LLVKDONJSA-N -1 1 384.801 1.018 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CCO)C1CCOCC1 ZINC000460893875 647476945 /nfs/dbraw/zinc/47/69/45/647476945.db2.gz JBJZCBFQILKAJA-GFCCVEGCSA-N -1 1 378.834 1.704 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)c([N+](=O)[O-])n1 ZINC000515257533 648487704 /nfs/dbraw/zinc/48/77/04/648487704.db2.gz XPDIPZXQEBCMDL-AWEZNQCLSA-N -1 1 386.455 1.639 20 5 GDBDMM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000583021991 652023212 /nfs/dbraw/zinc/02/32/12/652023212.db2.gz FFZHGYYAZKXVBW-SNVBAGLBSA-N -1 1 375.834 1.926 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H](O)COCc2ccccc2)s1 ZINC000599521939 652506137 /nfs/dbraw/zinc/50/61/37/652506137.db2.gz WKEDQDUZSKKQQQ-CYBMUJFWSA-N -1 1 386.451 1.902 20 5 GDBDMM CS(=O)(=O)NC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000604399092 652738730 /nfs/dbraw/zinc/73/87/30/652738730.db2.gz ZOOFOEYIKVRMLS-UHFFFAOYSA-N -1 1 397.500 1.187 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])OCC1CC1 ZINC000732219552 654463982 /nfs/dbraw/zinc/46/39/82/654463982.db2.gz WDBXJTXGCYIGIF-UHFFFAOYSA-N -1 1 393.215 1.589 20 5 GDBDMM COC(=O)C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCOC1 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C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736159880 599140598 /nfs/dbraw/zinc/14/05/98/599140598.db2.gz YONMHYVCKFFBHS-SECBINFHSA-N -1 1 383.324 1.354 20 5 GDBDMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736159880 599140599 /nfs/dbraw/zinc/14/05/99/599140599.db2.gz YONMHYVCKFFBHS-SECBINFHSA-N -1 1 383.324 1.354 20 5 GDBDMM Cc1ccc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)o1 ZINC000826282991 607578616 /nfs/dbraw/zinc/57/86/16/607578616.db2.gz HVJMWEXWSCDHMZ-VIFPVBQESA-N -1 1 378.370 1.716 20 5 GDBDMM CS[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826227157 607618647 /nfs/dbraw/zinc/61/86/47/607618647.db2.gz MSUQGMIKNWXGPE-UWVGGRQHSA-N -1 1 398.470 1.727 20 5 GDBDMM CC[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825154456 607633945 /nfs/dbraw/zinc/63/39/45/607633945.db2.gz PGCZZOPETUFIFU-ZYHUDNBSSA-N -1 1 396.429 1.089 20 5 GDBDMM CC(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824230050 607661747 /nfs/dbraw/zinc/66/17/47/607661747.db2.gz YOSNBGDSAIWVLL-YGRLFVJLSA-N -1 1 396.429 1.114 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c1-c1nn[n-]n1 ZINC000826499956 607677544 /nfs/dbraw/zinc/67/75/44/607677544.db2.gz GCZBUHQYOHZYRZ-QMMMGPOBSA-N -1 1 388.356 1.631 20 5 GDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833622790 605452840 /nfs/dbraw/zinc/45/28/40/605452840.db2.gz GOPIDRCZJIHYPR-GFCCVEGCSA-N -1 1 398.847 1.981 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000823615017 606699753 /nfs/dbraw/zinc/69/97/53/606699753.db2.gz XNIGTZIMPBAXFX-BETUJISGSA-N -1 1 378.396 1.743 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000823615017 606699754 /nfs/dbraw/zinc/69/97/54/606699754.db2.gz XNIGTZIMPBAXFX-BETUJISGSA-N -1 1 378.396 1.743 20 5 GDBDMM COc1ccc(-n2ccc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])n2)cc1 ZINC000821769336 606701259 /nfs/dbraw/zinc/70/12/59/606701259.db2.gz GSEJWAKBABQQJW-UHFFFAOYSA-N -1 1 393.367 1.976 20 5 GDBDMM COc1ccc(-n2ccc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])n2)cc1 ZINC000821769336 606701260 /nfs/dbraw/zinc/70/12/60/606701260.db2.gz GSEJWAKBABQQJW-UHFFFAOYSA-N -1 1 393.367 1.976 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)COc1ccc(F)cc1 ZINC000823620986 606702036 /nfs/dbraw/zinc/70/20/36/606702036.db2.gz VFHOGNQTCRGGSN-SNVBAGLBSA-N -1 1 375.320 1.161 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)COc1ccc(F)cc1 ZINC000823620986 606702037 /nfs/dbraw/zinc/70/20/37/606702037.db2.gz VFHOGNQTCRGGSN-SNVBAGLBSA-N -1 1 375.320 1.161 20 5 GDBDMM Cc1cccc(C)c1OC[C@H](O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822299839 606702124 /nfs/dbraw/zinc/70/21/24/606702124.db2.gz WLWAUUXGTOFSOL-GFCCVEGCSA-N -1 1 385.384 1.639 20 5 GDBDMM Cc1cccc(C)c1OC[C@H](O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822299839 606702126 /nfs/dbraw/zinc/70/21/26/606702126.db2.gz WLWAUUXGTOFSOL-GFCCVEGCSA-N -1 1 385.384 1.639 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCS(=O)(=O)c1ccccc1 ZINC000823625117 606704014 /nfs/dbraw/zinc/70/40/14/606704014.db2.gz PLWZWWQMKUAHRJ-UHFFFAOYSA-N -1 1 389.397 1.446 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCS(=O)(=O)c1ccccc1 ZINC000823625117 606704017 /nfs/dbraw/zinc/70/40/17/606704017.db2.gz PLWZWWQMKUAHRJ-UHFFFAOYSA-N -1 1 389.397 1.446 20 5 GDBDMM O=C1CCCCN1CC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823531140 606714264 /nfs/dbraw/zinc/71/42/64/606714264.db2.gz ZELFZSKJNWDUTD-UHFFFAOYSA-N -1 1 386.416 1.399 20 5 GDBDMM O=C1CCCCN1CC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823531140 606714265 /nfs/dbraw/zinc/71/42/65/606714265.db2.gz ZELFZSKJNWDUTD-UHFFFAOYSA-N -1 1 386.416 1.399 20 5 GDBDMM COc1ccccc1N1CC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821897864 606719680 /nfs/dbraw/zinc/71/96/80/606719680.db2.gz LBBPXBPZORFWCW-LLVKDONJSA-N -1 1 382.384 1.869 20 5 GDBDMM COc1ccccc1N1CC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821897864 606719681 /nfs/dbraw/zinc/71/96/81/606719681.db2.gz LBBPXBPZORFWCW-LLVKDONJSA-N -1 1 382.384 1.869 20 5 GDBDMM Cc1ncc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1 ZINC000822467328 606732740 /nfs/dbraw/zinc/73/27/40/606732740.db2.gz LOCLQDYOUOBSLB-UHFFFAOYSA-N -1 1 395.426 1.361 20 5 GDBDMM C[C@H]1CCC[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820696710 606733969 /nfs/dbraw/zinc/73/39/69/606733969.db2.gz BHPGODAOFDJGNZ-QWRGUYRKSA-N -1 1 380.430 1.974 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2C3CCCC2CCC3)c1-c1nn[n-]n1 ZINC000823648338 606735451 /nfs/dbraw/zinc/73/54/51/606735451.db2.gz VHWOWYAIAUAPCB-UHFFFAOYSA-N -1 1 378.414 1.871 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@H]32)c1-c1nn[n-]n1 ZINC000823646957 606735691 /nfs/dbraw/zinc/73/56/91/606735691.db2.gz DVDZKSSBQQPLHZ-WDEREUQCSA-N -1 1 378.414 1.728 20 5 GDBDMM Nn1c(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nnc1-c1cccs1 ZINC000822912376 607028492 /nfs/dbraw/zinc/02/84/92/607028492.db2.gz XSXNSLMGMPUTHZ-UHFFFAOYSA-N -1 1 388.398 1.355 20 5 GDBDMM Nn1c(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nnc1-c1cccs1 ZINC000822912376 607028494 /nfs/dbraw/zinc/02/84/94/607028494.db2.gz XSXNSLMGMPUTHZ-UHFFFAOYSA-N -1 1 388.398 1.355 20 5 GDBDMM CCc1ccccc1NC(=O)CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821496844 607162732 /nfs/dbraw/zinc/16/27/32/607162732.db2.gz KCYGXCZQJLCOTO-UHFFFAOYSA-N -1 1 382.384 1.807 20 5 GDBDMM CCc1ccccc1NC(=O)CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821496844 607162733 /nfs/dbraw/zinc/16/27/33/607162733.db2.gz KCYGXCZQJLCOTO-UHFFFAOYSA-N -1 1 382.384 1.807 20 5 GDBDMM Cc1noc([C@@H](C)N2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)n1 ZINC000826338554 607841567 /nfs/dbraw/zinc/84/15/67/607841567.db2.gz ZMVXTPGBNHWQHE-SNVBAGLBSA-N -1 1 385.388 1.350 20 5 GDBDMM CN(C[C@H]1CCCN1c1cccnn1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000825909104 607842116 /nfs/dbraw/zinc/84/21/16/607842116.db2.gz ROLIGRLBRWSXME-CYBMUJFWSA-N -1 1 381.400 1.670 20 5 GDBDMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1[N+](=O)[O-] ZINC000824641423 608426249 /nfs/dbraw/zinc/42/62/49/608426249.db2.gz WKIGAYGFNOAQII-VIFPVBQESA-N -1 1 375.370 1.209 20 5 GDBDMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1[N+](=O)[O-] ZINC000824641423 608426250 /nfs/dbraw/zinc/42/62/50/608426250.db2.gz WKIGAYGFNOAQII-VIFPVBQESA-N -1 1 375.370 1.209 20 5 GDBDMM O=[N+]([O-])c1ccccc1OC[C@H](O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826500524 609493833 /nfs/dbraw/zinc/49/38/33/609493833.db2.gz AYBRUBZFVUWIJH-JTQLQIEISA-N -1 1 375.316 1.733 20 5 GDBDMM O=[N+]([O-])c1ccccc1OC[C@H](O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826500524 609493836 /nfs/dbraw/zinc/49/38/36/609493836.db2.gz AYBRUBZFVUWIJH-JTQLQIEISA-N -1 1 375.316 1.733 20 5 GDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1CCN(CC(F)(F)F)CC1 ZINC000548371249 650544668 /nfs/dbraw/zinc/54/46/68/650544668.db2.gz FZJGPGWCZRIENX-UHFFFAOYSA-N -1 1 382.364 1.542 20 5 GDBDMM C[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[S@](C)=O ZINC000124191336 644704705 /nfs/dbraw/zinc/70/47/05/644704705.db2.gz SBJOVWHGISKEEI-ZPWHCFADSA-N -1 1 399.288 1.793 20 5 GDBDMM CN1CC[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000921413058 660298399 /nfs/dbraw/zinc/29/83/99/660298399.db2.gz CCMBXYUBKFLROG-ZETCQYMHSA-N -1 1 382.211 1.479 20 5 GDBDMM COC(=O)CC1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000593627879 652226908 /nfs/dbraw/zinc/22/69/08/652226908.db2.gz VHSGGOBRIHYKIE-UHFFFAOYSA-N -1 1 393.215 1.731 20 5 GDBDMM COC(=O)C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCOC1 ZINC000770302864 654508963 /nfs/dbraw/zinc/50/89/63/654508963.db2.gz VHZPNNBOELNICM-AWEZNQCLSA-N -1 1 392.817 1.639 20 5 GDBDMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cn1 ZINC000800928732 654901474 /nfs/dbraw/zinc/90/14/74/654901474.db2.gz SFSMPBQCSIIIFM-UHFFFAOYSA-N -1 1 375.359 1.333 20 5 GDBDMM CN1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1=O ZINC000830783190 654958376 /nfs/dbraw/zinc/95/83/76/654958376.db2.gz VWQLYUIDTJKZGS-QMMMGPOBSA-N -1 1 382.225 1.801 20 5 GDBDMM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805138270 655028729 /nfs/dbraw/zinc/02/87/29/655028729.db2.gz PLDLRDOFVGDZDW-QMMMGPOBSA-N -1 1 385.167 1.147 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2nnc3n2CCC3)c(Cl)cc1Cl ZINC000809806832 655136821 /nfs/dbraw/zinc/13/68/21/655136821.db2.gz HYWWYBQQUSMSJT-UHFFFAOYSA-N -1 1 392.224 1.918 20 5 GDBDMM COC(=O)C[C@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000809833421 655140571 /nfs/dbraw/zinc/14/05/71/655140571.db2.gz ZNWZZRQSGSIHFD-CYBMUJFWSA-N -1 1 396.780 1.388 20 5 GDBDMM CCn1ncnc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795299603 655170215 /nfs/dbraw/zinc/17/02/15/655170215.db2.gz OKKXFRCEMPXPBM-UHFFFAOYSA-N -1 1 390.219 1.447 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]Cc1cocn1 ZINC000795828467 655189683 /nfs/dbraw/zinc/18/96/83/655189683.db2.gz JQRBHBHEDACEDN-UHFFFAOYSA-N -1 1 380.151 1.963 20 5 GDBDMM CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815008389 655277404 /nfs/dbraw/zinc/27/74/04/655277404.db2.gz DTAQXSFIVXVXGN-UHFFFAOYSA-N -1 1 381.813 1.828 20 5 GDBDMM CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815029371 655280629 /nfs/dbraw/zinc/28/06/29/655280629.db2.gz NRPVCUMJIAMZOE-GMSGAONNSA-N -1 1 379.797 1.580 20 5 GDBDMM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815042630 655283374 /nfs/dbraw/zinc/28/33/74/655283374.db2.gz NZHNICPSPTXJPY-UHFFFAOYSA-N -1 1 386.810 1.243 20 5 GDBDMM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815046361 655283468 /nfs/dbraw/zinc/28/34/68/655283468.db2.gz RNXFXDIHPAGLKE-VIFPVBQESA-N -1 1 399.853 1.533 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC1CCS(=O)(=O)CC1 ZINC000768547845 655321322 /nfs/dbraw/zinc/32/13/22/655321322.db2.gz RVTBYIVODBYQAE-UHFFFAOYSA-N -1 1 380.419 1.227 20 5 GDBDMM CCOC(=O)c1nnc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)s1 ZINC000768725425 655325091 /nfs/dbraw/zinc/32/50/91/655325091.db2.gz KYJHPADXOMQTNJ-UHFFFAOYSA-N -1 1 380.367 1.880 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)[C@H]2CCCOC2)c1Cl ZINC000841559899 655347064 /nfs/dbraw/zinc/34/70/64/655347064.db2.gz JAFYKZLIRDKWNL-WCBMZHEXSA-N -1 1 399.252 1.967 20 5 GDBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c1 ZINC000843018576 655386818 /nfs/dbraw/zinc/38/68/18/655386818.db2.gz YENWOEYGPBYKEZ-UHFFFAOYSA-N -1 1 387.483 1.861 20 5 GDBDMM CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1(C)C ZINC000826144476 947455403 /nfs/dbraw/zinc/45/54/03/947455403.db2.gz KTDSYFHDWNWHEU-OXHMUOHRSA-N -1 1 396.429 1.113 20 5 GDBDMM O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826483885 948399800 /nfs/dbraw/zinc/39/98/00/948399800.db2.gz DQIQGOZIZYYKFS-UHFFFAOYSA-N -1 1 393.312 1.494 20 5 GDBDMM O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826483885 948399811 /nfs/dbraw/zinc/39/98/11/948399811.db2.gz DQIQGOZIZYYKFS-UHFFFAOYSA-N -1 1 393.312 1.494 20 5 GDBDMM Cc1c(C[N@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000852734771 955843085 /nfs/dbraw/zinc/84/30/85/955843085.db2.gz CZQNDLXOSWJMQN-YPMHNXCESA-N -1 1 389.330 1.999 20 5 GDBDMM COC[C@@]1(C(=O)[O-])CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001574133309 962549394 /nfs/dbraw/zinc/54/93/94/962549394.db2.gz HAITZXKGAQSIOW-APPDUMDISA-N -1 1 381.385 1.354 20 5 GDBDMM COc1ccc(OCCN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c([N+](=O)[O-])c1 ZINC000567509709 974637171 /nfs/dbraw/zinc/63/71/71/974637171.db2.gz MUQYVVSKSCEMGK-GFCCVEGCSA-N -1 1 391.384 1.609 20 5 GDBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000827374752 978958364 /nfs/dbraw/zinc/95/83/64/978958364.db2.gz LRNHWAOCZMTWHM-CQSZACIVSA-N -1 1 390.440 1.816 20 5 GDBDMM CN(Cc1ccccc1)C1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598529220 992755522 /nfs/dbraw/zinc/75/55/22/992755522.db2.gz WVPOBQWVLMTSTQ-UHFFFAOYSA-N -1 1 398.419 1.730 20 5 GDBDMM C[C@]1(C2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC001593994093 997289581 /nfs/dbraw/zinc/28/95/81/997289581.db2.gz HNLCIOUUPDGAIO-QGZVFWFLSA-N -1 1 376.369 1.103 20 5 GDBDMM Cn1cc(CC[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cn1 ZINC000097002151 530820013 /nfs/dbraw/zinc/82/00/13/530820013.db2.gz DRPUMMNLMKRVHZ-UHFFFAOYSA-N -1 1 389.231 1.612 20 5 GDBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000119500664 530926629 /nfs/dbraw/zinc/92/66/29/530926629.db2.gz UIIQEDSXFLWCDR-UHFFFAOYSA-N -1 1 377.850 1.637 20 5 GDBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000119528165 530927638 /nfs/dbraw/zinc/92/76/38/530927638.db2.gz WAOLQZJQPLYKEF-AWEZNQCLSA-N -1 1 391.877 1.883 20 5 GDBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(N)=O ZINC000277703397 531304515 /nfs/dbraw/zinc/30/45/15/531304515.db2.gz FLGRCLRZNTUDNN-SNVBAGLBSA-N -1 1 398.210 1.285 20 5 GDBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000491604785 531554873 /nfs/dbraw/zinc/55/48/73/531554873.db2.gz PHLFNDYILQCCOZ-UHFFFAOYSA-N -1 1 385.423 1.660 20 5 GDBDMM CCn1ncnc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416520934 531660527 /nfs/dbraw/zinc/66/05/27/531660527.db2.gz HJISTBBKLPTBOA-UHFFFAOYSA-N -1 1 379.320 1.704 20 5 GDBDMM O=C1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1 ZINC000591332358 531716553 /nfs/dbraw/zinc/71/65/53/531716553.db2.gz KKKMCZFVNQNUPR-VIFPVBQESA-N -1 1 392.231 1.304 20 5 GDBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000592085611 531757057 /nfs/dbraw/zinc/75/70/57/531757057.db2.gz GTNYADCDFYSUBM-AWEZNQCLSA-N -1 1 378.834 1.704 20 5 GDBDMM CCn1cc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000594839936 531859123 /nfs/dbraw/zinc/85/91/23/531859123.db2.gz SSVJUGUYAGTWEJ-UHFFFAOYSA-N -1 1 390.219 1.447 20 5 GDBDMM COC(=O)C1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000270823134 531927309 /nfs/dbraw/zinc/92/73/09/531927309.db2.gz OPRFJTUZWRCGCU-UHFFFAOYSA-N -1 1 379.188 1.341 20 5 GDBDMM COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000425230346 532131518 /nfs/dbraw/zinc/13/15/18/532131518.db2.gz LTMMSIFHZKJNPZ-UHFFFAOYSA-N -1 1 389.411 1.953 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](O)C1 ZINC000286367169 532145241 /nfs/dbraw/zinc/14/52/41/532145241.db2.gz JRERMVPTVDTETH-HTQZYQBOSA-N -1 1 397.222 1.936 20 5 GDBDMM COCCOCCOCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000274379376 532206418 /nfs/dbraw/zinc/20/64/18/532206418.db2.gz IPOZZPKNNIOMBS-UHFFFAOYSA-N -1 1 380.394 1.082 20 5 GDBDMM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287359303 532210708 /nfs/dbraw/zinc/21/07/08/532210708.db2.gz IALMYGVWPCUGQK-MRVPVSSYSA-N -1 1 385.167 1.147 20 5 GDBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H](C)O ZINC000289776810 532332174 /nfs/dbraw/zinc/33/21/74/532332174.db2.gz HUCNZAWEBUVXEB-GPXNAGAYSA-N -1 1 387.197 1.102 20 5 GDBDMM C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290005447 532335309 /nfs/dbraw/zinc/33/53/09/532335309.db2.gz XAHGUIKYJCQYEN-KBUNVGBDSA-N -1 1 382.225 1.705 20 5 GDBDMM O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738245698 599136306 /nfs/dbraw/zinc/13/63/06/599136306.db2.gz WMDZGFITMUSRCZ-UHFFFAOYSA-N -1 1 394.307 1.577 20 5 GDBDMM O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738245698 599136308 /nfs/dbraw/zinc/13/63/08/599136308.db2.gz WMDZGFITMUSRCZ-UHFFFAOYSA-N -1 1 394.307 1.577 20 5 GDBDMM O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738243980 599137967 /nfs/dbraw/zinc/13/79/67/599137967.db2.gz FJNWGJKNQFNIFA-UHFFFAOYSA-N -1 1 394.307 1.577 20 5 GDBDMM O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738243980 599137970 /nfs/dbraw/zinc/13/79/70/599137970.db2.gz FJNWGJKNQFNIFA-UHFFFAOYSA-N -1 1 394.307 1.577 20 5 GDBDMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000736129962 598266791 /nfs/dbraw/zinc/26/67/91/598266791.db2.gz KLVKVGZLRAHVDC-VIFPVBQESA-N -1 1 375.370 1.209 20 5 GDBDMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000736129962 598266792 /nfs/dbraw/zinc/26/67/92/598266792.db2.gz KLVKVGZLRAHVDC-VIFPVBQESA-N -1 1 375.370 1.209 20 5 GDBDMM NC(=O)c1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000737759202 598504745 /nfs/dbraw/zinc/50/47/45/598504745.db2.gz IOKYZDMZPXJIPF-UHFFFAOYSA-N -1 1 391.347 1.237 20 5 GDBDMM COc1ccc([C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737973231 599798883 /nfs/dbraw/zinc/79/88/83/599798883.db2.gz YWCGNSFDVXLDMM-CYBMUJFWSA-N -1 1 384.341 1.847 20 5 GDBDMM C[C@@H](NC(=O)c1ccc(N2CCN3CCCC[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657444 600431907 /nfs/dbraw/zinc/43/19/07/600431907.db2.gz SCGLIMDUHYTJAF-OCCSQVGLSA-N -1 1 376.413 1.472 20 5 GDBDMM CN(C[C@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825901695 607451545 /nfs/dbraw/zinc/45/15/45/607451545.db2.gz JQWLDJFAKUJZFG-HNNXBMFYSA-N -1 1 384.396 1.789 20 5 GDBDMM CN(C[C@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825901695 607451546 /nfs/dbraw/zinc/45/15/46/607451546.db2.gz JQWLDJFAKUJZFG-HNNXBMFYSA-N -1 1 384.396 1.789 20 5 GDBDMM O=C([O-])c1ccsc1N1CC[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000833341493 600691897 /nfs/dbraw/zinc/69/18/97/600691897.db2.gz NFKZQOMEVLNUFL-ZIAGYGMSSA-N -1 1 391.405 1.783 20 5 GDBDMM CC[C@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000829163593 600812499 /nfs/dbraw/zinc/81/24/99/600812499.db2.gz YAXAMEAAEPFHTO-MNOVXSKESA-N -1 1 382.373 1.483 20 5 GDBDMM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000833261539 601978114 /nfs/dbraw/zinc/97/81/14/601978114.db2.gz BAAJGGOEGUWPRM-UHFFFAOYSA-N -1 1 378.406 1.884 20 5 GDBDMM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826293322 607591135 /nfs/dbraw/zinc/59/11/35/607591135.db2.gz LASCCFIGJSYFIM-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826293322 607591136 /nfs/dbraw/zinc/59/11/36/607591136.db2.gz LASCCFIGJSYFIM-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826500497 607598170 /nfs/dbraw/zinc/59/81/70/607598170.db2.gz ZYMGUESSPDJSQZ-VXGBXAGGSA-N -1 1 386.393 1.609 20 5 GDBDMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000739204827 603153623 /nfs/dbraw/zinc/15/36/23/603153623.db2.gz DNOABULMYRDCQI-KCJUWKMLSA-N -1 1 391.377 1.516 20 5 GDBDMM C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@@H]2CC(=O)[O-])C1=O ZINC000828123153 604981099 /nfs/dbraw/zinc/98/10/99/604981099.db2.gz UJOUUIXYSDPYNV-DYVFJYSZSA-N -1 1 376.369 1.258 20 5 GDBDMM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000833786184 605328495 /nfs/dbraw/zinc/32/84/95/605328495.db2.gz SXSCUYRRVJPGFI-UHFFFAOYSA-N -1 1 377.334 1.588 20 5 GDBDMM CC(C)c1[nH]nc(C(=O)N2CCC(OCCCNC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000824453086 605390975 /nfs/dbraw/zinc/39/09/75/605390975.db2.gz HGAGOJURGUQNDE-UHFFFAOYSA-N -1 1 383.405 1.720 20 5 GDBDMM O=C([O-])N1CCN(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)nc2)CC1 ZINC000834054254 605780234 /nfs/dbraw/zinc/78/02/34/605780234.db2.gz DIQVLHSOFXYNPI-UHFFFAOYSA-N -1 1 387.352 1.748 20 5 GDBDMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000823026903 606141088 /nfs/dbraw/zinc/14/10/88/606141088.db2.gz IAJMYUYLGQCITK-UHFFFAOYSA-N -1 1 392.328 1.771 20 5 GDBDMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000823026903 606141090 /nfs/dbraw/zinc/14/10/90/606141090.db2.gz IAJMYUYLGQCITK-UHFFFAOYSA-N -1 1 392.328 1.771 20 5 GDBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000823294801 606195870 /nfs/dbraw/zinc/19/58/70/606195870.db2.gz RSDJFTPDMFTPSA-UHFFFAOYSA-N -1 1 393.323 1.314 20 5 GDBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823123181 606648635 /nfs/dbraw/zinc/64/86/35/606648635.db2.gz QWAXBSRHWOKBDY-UHFFFAOYSA-N -1 1 379.336 1.868 20 5 GDBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823123181 606648636 /nfs/dbraw/zinc/64/86/36/606648636.db2.gz QWAXBSRHWOKBDY-UHFFFAOYSA-N -1 1 379.336 1.868 20 5 GDBDMM Cc1cc(C(=O)N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c(C)o1 ZINC000822169057 606701564 /nfs/dbraw/zinc/70/15/64/606701564.db2.gz XRHBOXCNNTXSEQ-UHFFFAOYSA-N -1 1 398.383 1.342 20 5 GDBDMM Cc1cc(C(=O)N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c(C)o1 ZINC000822169057 606701566 /nfs/dbraw/zinc/70/15/66/606701566.db2.gz XRHBOXCNNTXSEQ-UHFFFAOYSA-N -1 1 398.383 1.342 20 5 GDBDMM CCCCCC(=O)NC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821043246 606704977 /nfs/dbraw/zinc/70/49/77/606704977.db2.gz NOSFPFXNIUAYGU-UHFFFAOYSA-N -1 1 388.432 1.835 20 5 GDBDMM CCCCCC(=O)NC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821043246 606704978 /nfs/dbraw/zinc/70/49/78/606704978.db2.gz NOSFPFXNIUAYGU-UHFFFAOYSA-N -1 1 388.432 1.835 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000823620461 606717316 /nfs/dbraw/zinc/71/73/16/606717316.db2.gz LFNSNHNPCULCQF-CYBMUJFWSA-N -1 1 389.416 1.724 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000823620461 606717318 /nfs/dbraw/zinc/71/73/18/606717318.db2.gz LFNSNHNPCULCQF-CYBMUJFWSA-N -1 1 389.416 1.724 20 5 GDBDMM C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820705308 606730638 /nfs/dbraw/zinc/73/06/38/606730638.db2.gz SXJKLZVTKNXDTA-GHMZBOCLSA-N -1 1 380.430 1.974 20 5 GDBDMM C[C@@H](c1ccccn1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820570291 606732174 /nfs/dbraw/zinc/73/21/74/606732174.db2.gz GKVBBVAGZHWHIL-JTQLQIEISA-N -1 1 389.397 1.552 20 5 GDBDMM C[C@@H](c1ccco1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820570422 606732242 /nfs/dbraw/zinc/73/22/42/606732242.db2.gz JOHDJEYJJRBQJA-VIFPVBQESA-N -1 1 378.370 1.750 20 5 GDBDMM CN(Cc1nccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821618206 606736552 /nfs/dbraw/zinc/73/65/52/606736552.db2.gz VNFAITMWUWMDPV-UHFFFAOYSA-N -1 1 381.399 1.052 20 5 GDBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820507685 607204868 /nfs/dbraw/zinc/20/48/68/607204868.db2.gz JLNUUKPJHNHBRT-SECBINFHSA-N -1 1 398.335 1.665 20 5 GDBDMM Cc1cc(C)n(C[C@@H]2CN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CCO2)n1 ZINC000826265345 607842095 /nfs/dbraw/zinc/84/20/95/607842095.db2.gz VPEMSVUHRPCBQY-AWEZNQCLSA-N -1 1 384.400 1.494 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826497373 607868231 /nfs/dbraw/zinc/86/82/31/607868231.db2.gz FGRPZGBHSXKKLQ-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826497373 607868232 /nfs/dbraw/zinc/86/82/32/607868232.db2.gz FGRPZGBHSXKKLQ-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826499383 607868421 /nfs/dbraw/zinc/86/84/21/607868421.db2.gz GWDJGOCKPVQQAA-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826499383 607868422 /nfs/dbraw/zinc/86/84/22/607868422.db2.gz GWDJGOCKPVQQAA-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826467009 608118641 /nfs/dbraw/zinc/11/86/41/608118641.db2.gz CTMFVAMDIDRVPO-UHFFFAOYSA-N -1 1 392.335 1.713 20 5 GDBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826467009 608118642 /nfs/dbraw/zinc/11/86/42/608118642.db2.gz CTMFVAMDIDRVPO-UHFFFAOYSA-N -1 1 392.335 1.713 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc3cncnc3c2)c1-c1nn[n-]n1 ZINC000826500225 608249717 /nfs/dbraw/zinc/24/97/17/608249717.db2.gz OXOTZBQDUVONPK-UHFFFAOYSA-N -1 1 399.348 1.486 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2c(ncn2-c2ccccc2)C1 ZINC000826497847 609318198 /nfs/dbraw/zinc/31/81/98/609318198.db2.gz WMAPFPFMGNEUTH-UHFFFAOYSA-N -1 1 389.379 1.918 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2c(ncn2-c2ccccc2)C1 ZINC000826497847 609318200 /nfs/dbraw/zinc/31/82/00/609318200.db2.gz WMAPFPFMGNEUTH-UHFFFAOYSA-N -1 1 389.379 1.918 20 5 GDBDMM Cc1onc(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826348114 609472732 /nfs/dbraw/zinc/47/27/32/609472732.db2.gz VIMYACPESOOLAB-UHFFFAOYSA-N -1 1 391.775 1.626 20 5 GDBDMM Cc1onc(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826348114 609472733 /nfs/dbraw/zinc/47/27/33/609472733.db2.gz 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/nfs/dbraw/zinc/04/49/39/655044939.db2.gz VQVVCNJJHZPMSV-RQJHMYQMSA-N -1 1 382.225 1.834 20 5 GDBDMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000809837361 655141066 /nfs/dbraw/zinc/14/10/66/655141066.db2.gz YPQHEHAVGUVIEB-SECBINFHSA-N -1 1 381.813 1.386 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)C2CCOCC2)c(Cl)cc1Cl ZINC000809842085 655141618 /nfs/dbraw/zinc/14/16/18/655141618.db2.gz AKFMIYZEJHBXFJ-NSHDSACASA-N -1 1 399.252 1.967 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]Cc1ccon1 ZINC000795871901 655192204 /nfs/dbraw/zinc/19/22/04/655192204.db2.gz DRISXJNEGGFSPA-UHFFFAOYSA-N -1 1 380.151 1.963 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1(CCO)CC1 ZINC000795940298 655197047 /nfs/dbraw/zinc/19/70/47/655197047.db2.gz PEKZRCALANSFBX-UHFFFAOYSA-N -1 1 397.222 1.937 20 5 GDBDMM CC1(C)CN(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000798227370 655258816 /nfs/dbraw/zinc/25/88/16/655258816.db2.gz OYTZJPUQVPSDFH-UHFFFAOYSA-N -1 1 395.840 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O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)[C@@H]2CCCOC2)c1Cl ZINC000841559898 655347155 /nfs/dbraw/zinc/34/71/55/655347155.db2.gz JAFYKZLIRDKWNL-SCZZXKLOSA-N -1 1 399.252 1.967 20 5 GDBDMM Cn1nncc1S(=O)(=O)[N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841562400 655347965 /nfs/dbraw/zinc/34/79/65/655347965.db2.gz YOTRSXOHVGKIIH-SNVBAGLBSA-N -1 1 383.283 1.444 20 5 GDBDMM CCN1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1=O ZINC000845994084 655442594 /nfs/dbraw/zinc/44/25/94/655442594.db2.gz IMLNUTBVFYUGQP-MRVPVSSYSA-N -1 1 379.797 1.534 20 5 GDBDMM CCn1nncc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000859247791 655771615 /nfs/dbraw/zinc/77/16/15/655771615.db2.gz ARCWNGOTXMUVCB-UHFFFAOYSA-N -1 1 390.219 1.447 20 5 GDBDMM CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000859335547 655776070 /nfs/dbraw/zinc/77/60/70/655776070.db2.gz BIHKYBQYGVUIJQ-QMMMGPOBSA-N -1 1 384.241 1.511 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCOC2CCCC2)c1-c1nn[n-]n1 ZINC000826500465 948414856 /nfs/dbraw/zinc/41/48/56/948414856.db2.gz ZFIQCCFHEINBFL-UHFFFAOYSA-N -1 1 396.429 1.403 20 5 GDBDMM O=C([O-])[C@]1(N2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCOC1 ZINC001331841418 961396437 /nfs/dbraw/zinc/39/64/37/961396437.db2.gz UXXDOLFPMIFTBN-AWEZNQCLSA-N -1 1 390.318 1.374 20 5 GDBDMM CC(C)[C@@H](CNC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001588827192 961679095 /nfs/dbraw/zinc/67/90/95/961679095.db2.gz NQHXURFMLSGKFA-CQSZACIVSA-N -1 1 393.444 1.825 20 5 GDBDMM CCOC(=O)c1c(C)[nH]nc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001596697057 984853304 /nfs/dbraw/zinc/85/33/04/984853304.db2.gz DMMSGPACOIBOKJ-QGZVFWFLSA-N -1 1 376.369 1.893 20 5 GDBDMM Cc1[nH]nc(C(=O)N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001599967856 985941205 /nfs/dbraw/zinc/94/12/05/985941205.db2.gz CZGWJWKURDFASL-WDEREUQCSA-N -1 1 380.307 1.845 20 5 GDBDMM COC(=O)[C@@H]1CC12CCN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CC2 ZINC001598767864 995853365 /nfs/dbraw/zinc/85/33/65/995853365.db2.gz YUAPBOLICHRPIU-ZDUSSCGKSA-N -1 1 378.381 1.833 20 5 GDBDMM CC1(C)CCCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001593910341 996791243 /nfs/dbraw/zinc/79/12/43/996791243.db2.gz LVQKFCHVCFQHAN-UHFFFAOYSA-N -1 1 385.442 1.693 20 5 GDBDMM COc1cc([N+](=O)[O-])c(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)cc1SC ZINC001599461815 998285232 /nfs/dbraw/zinc/28/52/32/998285232.db2.gz BISFSTSQUZBQKT-SNVBAGLBSA-N -1 1 383.426 1.414 20 5 GDBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCCC1=O ZINC000193873079 530995344 /nfs/dbraw/zinc/99/53/44/530995344.db2.gz KIGQTGRYDYKMKY-SNVBAGLBSA-N -1 1 375.834 1.928 20 5 GDBDMM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2sccc2Br)c1 ZINC000152817799 531157183 /nfs/dbraw/zinc/15/71/83/531157183.db2.gz VXYLADHCXPXXDE-UHFFFAOYSA-N -1 1 381.233 1.594 20 5 GDBDMM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000264067494 531167229 /nfs/dbraw/zinc/16/72/29/531167229.db2.gz AYUNPOCNBCGPSJ-QMMMGPOBSA-N -1 1 390.219 1.316 20 5 GDBDMM COCC[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290791293 531257073 /nfs/dbraw/zinc/25/70/73/531257073.db2.gz QKBXZHVNBYKLGL-LBPRGKRZSA-N -1 1 387.241 1.967 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](O)C2CCOCC2)cc1Cl ZINC000290820263 531257963 /nfs/dbraw/zinc/25/79/63/531257963.db2.gz TURBRDGSEIXAIB-LBPRGKRZSA-N -1 1 382.797 1.453 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H](CO)[C@@H]1CCCO1 ZINC000447928342 531441415 /nfs/dbraw/zinc/44/14/15/531441415.db2.gz HEPUNMSJJITABW-KOLCDFICSA-N -1 1 395.231 1.176 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cn2)c([N+](=O)[O-])n1 ZINC000447843454 531437691 /nfs/dbraw/zinc/43/76/91/531437691.db2.gz MLXFMRGSBJYEIL-UHFFFAOYSA-N -1 1 377.329 1.286 20 5 GDBDMM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000268482705 531519295 /nfs/dbraw/zinc/51/92/95/531519295.db2.gz JXORHLXPFXHDJO-JTQLQIEISA-N -1 1 376.822 1.330 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000599209700 532013314 /nfs/dbraw/zinc/01/33/14/532013314.db2.gz BZVQNWKNRLRBBD-QMMMGPOBSA-N -1 1 376.341 1.969 20 5 GDBDMM CN1CC[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1=O ZINC000285163543 532040823 /nfs/dbraw/zinc/04/08/23/532040823.db2.gz LUXKSYAWQMDTRH-QMMMGPOBSA-N -1 1 396.194 1.005 20 5 GDBDMM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000285426860 532082498 /nfs/dbraw/zinc/08/24/98/532082498.db2.gz QQORMPPEBQIQEX-UHFFFAOYSA-N -1 1 380.419 1.370 20 5 GDBDMM C[C@@]1([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000286577237 532161971 /nfs/dbraw/zinc/16/19/71/532161971.db2.gz WHXWFOSGMITFJD-LLVKDONJSA-N -1 1 383.195 1.954 20 5 GDBDMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000274932878 532243687 /nfs/dbraw/zinc/24/36/87/532243687.db2.gz DNKWPLUDJTWPTF-LBPRGKRZSA-N -1 1 391.833 1.466 20 5 GDBDMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[n-]1 ZINC000431857264 532274883 /nfs/dbraw/zinc/27/48/83/532274883.db2.gz YDXGOYFNMJBVPD-UHFFFAOYSA-N -1 1 390.175 1.131 20 5 GDBDMM CS(=O)(=O)c1nc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n[n-]1 ZINC000431857264 532274885 /nfs/dbraw/zinc/27/48/85/532274885.db2.gz YDXGOYFNMJBVPD-UHFFFAOYSA-N -1 1 390.175 1.131 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000289381195 532322937 /nfs/dbraw/zinc/32/29/37/532322937.db2.gz NTFRWDVFJBGDBT-UHFFFAOYSA-N -1 1 379.797 1.678 20 5 GDBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000289766544 532331961 /nfs/dbraw/zinc/33/19/61/532331961.db2.gz HHXJQKAHECZYKB-PWSUYJOCSA-N -1 1 382.797 1.860 20 5 GDBDMM O=Cc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000738314528 598687935 /nfs/dbraw/zinc/68/79/35/598687935.db2.gz USHHNVWQPBDHOF-UHFFFAOYSA-N -1 1 393.312 1.494 20 5 GDBDMM Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738364946 600386802 /nfs/dbraw/zinc/38/68/02/600386802.db2.gz ICCKEMKVCRGRNR-UHFFFAOYSA-N -1 1 385.336 1.588 20 5 GDBDMM O=C(NCCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccc(O)c1 ZINC000826437042 607452527 /nfs/dbraw/zinc/45/25/27/607452527.db2.gz UHPJXXMPRJHGKX-UHFFFAOYSA-N -1 1 383.368 1.713 20 5 GDBDMM O=C(NCCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccc(O)c1 ZINC000826437042 607452529 /nfs/dbraw/zinc/45/25/29/607452529.db2.gz UHPJXXMPRJHGKX-UHFFFAOYSA-N -1 1 383.368 1.713 20 5 GDBDMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000736469045 600610307 /nfs/dbraw/zinc/61/03/07/600610307.db2.gz VMJNIWVORHRWAN-QGZVFWFLSA-N -1 1 378.385 1.504 20 5 GDBDMM Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc12 ZINC000485201238 600690621 /nfs/dbraw/zinc/69/06/21/600690621.db2.gz CNPLYKIYTUDRTF-UHFFFAOYSA-N -1 1 391.365 1.684 20 5 GDBDMM C[C@@](NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)(C(=O)[O-])C1CC1 ZINC000827727047 601038181 /nfs/dbraw/zinc/03/81/81/601038181.db2.gz FLTHMDJOMPZGJA-SFHVURJKSA-N -1 1 376.413 1.086 20 5 GDBDMM C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1ccccc1 ZINC000824427806 607577990 /nfs/dbraw/zinc/57/79/90/607577990.db2.gz PFTPTZFHAADAGY-NSHDSACASA-N -1 1 388.409 1.857 20 5 GDBDMM C[C@@H](Cc1ccsc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824464888 607593603 /nfs/dbraw/zinc/59/36/03/607593603.db2.gz KYBPTZBSNKMPPD-VIFPVBQESA-N -1 1 394.438 1.746 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2Cc3ccccc32)c1-c1nn[n-]n1 ZINC000826500094 607594642 /nfs/dbraw/zinc/59/46/42/607594642.db2.gz KVQBBTKOKDGOQT-LLVKDONJSA-N -1 1 386.393 1.393 20 5 GDBDMM O=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826498181 607594998 /nfs/dbraw/zinc/59/49/98/607594998.db2.gz KHEGSVRJRMTKSM-UHFFFAOYSA-N -1 1 378.345 1.393 20 5 GDBDMM CN(Cc1cccc(O)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825980461 607624226 /nfs/dbraw/zinc/62/42/26/607624226.db2.gz ACEUVNZRBVUMGJ-UHFFFAOYSA-N -1 1 390.381 1.301 20 5 GDBDMM CC(C)(C)CN(CCCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824086150 607632142 /nfs/dbraw/zinc/63/21/42/607632142.db2.gz KSOZZSFZVOAVJO-UHFFFAOYSA-N -1 1 398.445 1.194 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCc3[nH]ccc32)c1-c1nn[n-]n1 ZINC000826500060 607665082 /nfs/dbraw/zinc/66/50/82/607665082.db2.gz JQWMRKZLLBEVPC-LLVKDONJSA-N -1 1 389.397 1.459 20 5 GDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000833622305 605161358 /nfs/dbraw/zinc/16/13/58/605161358.db2.gz APYOMZMJUYBWNU-ZDUSSCGKSA-N -1 1 387.396 1.402 20 5 GDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000833626948 605166294 /nfs/dbraw/zinc/16/62/94/605166294.db2.gz SXOOIGJKOZOPOZ-CYBMUJFWSA-N -1 1 387.396 1.402 20 5 GDBDMM COC(=O)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000821666693 606195048 /nfs/dbraw/zinc/19/50/48/606195048.db2.gz ACUAKKBYLCORIT-UHFFFAOYSA-N -1 1 384.308 1.519 20 5 GDBDMM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1[N+](=O)[O-] ZINC000822229122 606436192 /nfs/dbraw/zinc/43/61/92/606436192.db2.gz MZIJOSAMTOPPSR-SNVBAGLBSA-N -1 1 389.397 1.518 20 5 GDBDMM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1[N+](=O)[O-] ZINC000822229122 606436194 /nfs/dbraw/zinc/43/61/94/606436194.db2.gz MZIJOSAMTOPPSR-SNVBAGLBSA-N -1 1 389.397 1.518 20 5 GDBDMM Nc1n[nH]c(CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1-c1nnn[n-]1 ZINC000822898821 606442152 /nfs/dbraw/zinc/44/21/52/606442152.db2.gz AGUFFNCEUFOOLI-UHFFFAOYSA-N -1 1 395.330 1.726 20 5 GDBDMM Nc1n[nH]c(CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1-c1nn[n-]n1 ZINC000822898821 606442153 /nfs/dbraw/zinc/44/21/53/606442153.db2.gz AGUFFNCEUFOOLI-UHFFFAOYSA-N -1 1 395.330 1.726 20 5 GDBDMM NS(=O)(=O)c1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c([N+](=O)[O-])c1 ZINC000822899400 606447774 /nfs/dbraw/zinc/44/77/74/606447774.db2.gz IWNHKQXIUMMLTI-UHFFFAOYSA-N -1 1 397.760 1.263 20 5 GDBDMM NS(=O)(=O)c1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c([N+](=O)[O-])c1 ZINC000822899400 606447775 /nfs/dbraw/zinc/44/77/75/606447775.db2.gz IWNHKQXIUMMLTI-UHFFFAOYSA-N -1 1 397.760 1.263 20 5 GDBDMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000823482869 606491083 /nfs/dbraw/zinc/49/10/83/606491083.db2.gz BCPJZYZBHCCFAQ-UHFFFAOYSA-N -1 1 385.409 1.799 20 5 GDBDMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000823482869 606491084 /nfs/dbraw/zinc/49/10/84/606491084.db2.gz BCPJZYZBHCCFAQ-UHFFFAOYSA-N -1 1 385.409 1.799 20 5 GDBDMM C[C@H]1CCC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820699356 606730386 /nfs/dbraw/zinc/73/03/86/606730386.db2.gz ZBBKRZWBZGSWJP-QWRGUYRKSA-N -1 1 380.430 1.974 20 5 GDBDMM CN(Cc1cscn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821616781 606733055 /nfs/dbraw/zinc/73/30/55/606733055.db2.gz HENYGYQORUFAMR-UHFFFAOYSA-N -1 1 381.399 1.052 20 5 GDBDMM CC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCS1 ZINC000820995491 606736119 /nfs/dbraw/zinc/73/61/19/606736119.db2.gz SJCLITCIJKBGJJ-SECBINFHSA-N -1 1 384.443 1.291 20 5 GDBDMM Cc1c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000822020482 607107919 /nfs/dbraw/zinc/10/79/19/607107919.db2.gz DGAHTQLCJORTCV-UHFFFAOYSA-N -1 1 398.368 1.373 20 5 GDBDMM Cc1c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000822020482 607107920 /nfs/dbraw/zinc/10/79/20/607107920.db2.gz DGAHTQLCJORTCV-UHFFFAOYSA-N -1 1 398.368 1.373 20 5 GDBDMM CN(Cc1ccccc1N1CCOCC1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821615847 607164336 /nfs/dbraw/zinc/16/43/36/607164336.db2.gz QPZMEKKODIIMTJ-UHFFFAOYSA-N -1 1 396.411 1.643 20 5 GDBDMM CN(Cc1ccccc1N1CCOCC1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821615847 607164338 /nfs/dbraw/zinc/16/43/38/607164338.db2.gz QPZMEKKODIIMTJ-UHFFFAOYSA-N -1 1 396.411 1.643 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])n1 ZINC000825804409 607851712 /nfs/dbraw/zinc/85/17/12/607851712.db2.gz AFBXGIXHQBAKSR-SECBINFHSA-N -1 1 392.401 1.031 20 5 GDBDMM CCC[C@@H]1SCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825261402 608236514 /nfs/dbraw/zinc/23/65/14/608236514.db2.gz YPSBATAZCDCXDY-NSHDSACASA-N -1 1 384.443 1.639 20 5 GDBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826500099 608342204 /nfs/dbraw/zinc/34/22/04/608342204.db2.gz KZTUQVQCFBJTGQ-UHFFFAOYSA-N -1 1 393.356 1.865 20 5 GDBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826500099 608342206 /nfs/dbraw/zinc/34/22/06/608342206.db2.gz KZTUQVQCFBJTGQ-UHFFFAOYSA-N -1 1 393.356 1.865 20 5 GDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000826356821 609504550 /nfs/dbraw/zinc/50/45/50/609504550.db2.gz HKICDCKKCCFGCS-UHFFFAOYSA-N -1 1 394.804 1.893 20 5 GDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000826356821 609504552 /nfs/dbraw/zinc/50/45/52/609504552.db2.gz HKICDCKKCCFGCS-UHFFFAOYSA-N -1 1 394.804 1.893 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCS3(=O)=O)s1 ZINC000531810007 649997918 /nfs/dbraw/zinc/99/79/18/649997918.db2.gz OARJVBQJVVQWEJ-UHFFFAOYSA-N -1 1 388.448 1.465 20 5 GDBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccncc1Br ZINC000534799330 650231270 /nfs/dbraw/zinc/23/12/70/650231270.db2.gz UINBSCJYJCLJLH-UHFFFAOYSA-N -1 1 388.199 1.984 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)COc2ccc(F)c(F)c2)s1 ZINC000443224170 647190245 /nfs/dbraw/zinc/19/02/45/647190245.db2.gz LJOIOGDRWRMYSX-QMMMGPOBSA-N -1 1 394.377 1.653 20 5 GDBDMM Cc1nncn1CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000481464499 647876942 /nfs/dbraw/zinc/87/69/42/647876942.db2.gz MRBZRSWZACKCHE-UHFFFAOYSA-N -1 1 390.219 1.236 20 5 GDBDMM CN1CC[C@@](O)(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000572928659 651462899 /nfs/dbraw/zinc/46/28/99/651462899.db2.gz DGHJZQXSNIDMBR-GFCCVEGCSA-N -1 1 384.241 1.247 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1COCCOC1 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O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccccc2O)c1-c1nn[n-]n1 ZINC000826499878 607629057 /nfs/dbraw/zinc/62/90/57/607629057.db2.gz BWPFEUOIJYQUIC-UHFFFAOYSA-N -1 1 390.381 1.002 20 5 GDBDMM CCc1cnc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1 ZINC000825735827 607652955 /nfs/dbraw/zinc/65/29/55/607652955.db2.gz VJYIGKOFXZDPTH-UHFFFAOYSA-N -1 1 395.426 1.272 20 5 GDBDMM CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCOCC1 ZINC000825148337 607658729 /nfs/dbraw/zinc/65/87/29/607658729.db2.gz PQDYLQBNKIGMFH-LLVKDONJSA-N -1 1 396.429 1.258 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(C3CC3)CCC2)c1-c1nn[n-]n1 ZINC000826500370 607744542 /nfs/dbraw/zinc/74/45/42/607744542.db2.gz VZORCXGHVHLYPW-UHFFFAOYSA-N -1 1 378.414 1.634 20 5 GDBDMM CN(C)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821589474 606333114 /nfs/dbraw/zinc/33/31/14/606333114.db2.gz OVDYQNRXKLGHRZ-UHFFFAOYSA-N -1 1 391.369 1.004 20 5 GDBDMM CN(C)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821589474 606333116 /nfs/dbraw/zinc/33/31/16/606333116.db2.gz OVDYQNRXKLGHRZ-UHFFFAOYSA-N -1 1 391.369 1.004 20 5 GDBDMM COc1cc(F)c([N+](=O)[O-])c(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000821720155 606443660 /nfs/dbraw/zinc/44/36/60/606443660.db2.gz NLCBCWAMPBWMNT-UHFFFAOYSA-N -1 1 391.367 1.297 20 5 GDBDMM COc1cc(F)c([N+](=O)[O-])c(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000821720155 606443662 /nfs/dbraw/zinc/44/36/62/606443662.db2.gz NLCBCWAMPBWMNT-UHFFFAOYSA-N -1 1 391.367 1.297 20 5 GDBDMM O=C(CC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000822945797 606698935 /nfs/dbraw/zinc/69/89/35/606698935.db2.gz RFIFWWBUCVAHIH-UHFFFAOYSA-N -1 1 386.416 1.399 20 5 GDBDMM O=C(CC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000822945797 606698936 /nfs/dbraw/zinc/69/89/36/606698936.db2.gz RFIFWWBUCVAHIH-UHFFFAOYSA-N -1 1 386.416 1.399 20 5 GDBDMM COc1cc(OC)c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(OC)c1 ZINC000821723609 606699248 /nfs/dbraw/zinc/69/92/48/606699248.db2.gz FREFXYYVRIFHHE-UHFFFAOYSA-N -1 1 387.356 1.808 20 5 GDBDMM COc1cc(OC)c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(OC)c1 ZINC000821723609 606699249 /nfs/dbraw/zinc/69/92/49/606699249.db2.gz FREFXYYVRIFHHE-UHFFFAOYSA-N -1 1 387.356 1.808 20 5 GDBDMM COC(=O)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(C)cc1 ZINC000821640782 606709844 /nfs/dbraw/zinc/70/98/44/606709844.db2.gz ORPYHPHMUKCFER-CYBMUJFWSA-N -1 1 383.368 1.847 20 5 GDBDMM COC(=O)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(C)cc1 ZINC000821640782 606709845 /nfs/dbraw/zinc/70/98/45/606709845.db2.gz ORPYHPHMUKCFER-CYBMUJFWSA-N -1 1 383.368 1.847 20 5 GDBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000820778965 606711800 /nfs/dbraw/zinc/71/18/00/606711800.db2.gz ZKIGZADOCJBBOX-SNVBAGLBSA-N -1 1 390.404 1.616 20 5 GDBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000820778965 606711801 /nfs/dbraw/zinc/71/18/01/606711801.db2.gz ZKIGZADOCJBBOX-SNVBAGLBSA-N -1 1 390.404 1.616 20 5 GDBDMM CC1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000820690375 606730856 /nfs/dbraw/zinc/73/08/56/606730856.db2.gz KSMTWOMPWKZWJQ-UHFFFAOYSA-N -1 1 380.430 1.974 20 5 GDBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820769510 606734476 /nfs/dbraw/zinc/73/44/76/606734476.db2.gz UYCZZFURHZPPKQ-IUCAKERBSA-N -1 1 384.443 1.289 20 5 GDBDMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826211788 607867737 /nfs/dbraw/zinc/86/77/37/607867737.db2.gz USVJFKPLRGWRFT-UHFFFAOYSA-N -1 1 395.328 1.690 20 5 GDBDMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826211788 607867738 /nfs/dbraw/zinc/86/77/38/607867738.db2.gz USVJFKPLRGWRFT-UHFFFAOYSA-N -1 1 395.328 1.690 20 5 GDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000826356883 608119113 /nfs/dbraw/zinc/11/91/13/608119113.db2.gz JTEYUDZQJYSHOF-UHFFFAOYSA-N -1 1 383.372 1.705 20 5 GDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000826356883 608119114 /nfs/dbraw/zinc/11/91/14/608119114.db2.gz JTEYUDZQJYSHOF-UHFFFAOYSA-N -1 1 383.372 1.705 20 5 GDBDMM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824465388 608123953 /nfs/dbraw/zinc/12/39/53/608123953.db2.gz NZWOPQYLKWYGBQ-JTQLQIEISA-N -1 1 393.367 1.380 20 5 GDBDMM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824465388 608123954 /nfs/dbraw/zinc/12/39/54/608123954.db2.gz NZWOPQYLKWYGBQ-JTQLQIEISA-N -1 1 393.367 1.380 20 5 GDBDMM Cc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1F ZINC000826300410 609573005 /nfs/dbraw/zinc/57/30/05/609573005.db2.gz UJNJAVYPIVRCRQ-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)c2ccc(F)cc2)s1 ZINC000481081330 647869418 /nfs/dbraw/zinc/86/94/18/647869418.db2.gz OFKPMLAIMTVBPI-UHFFFAOYSA-N -1 1 394.427 1.548 20 5 GDBDMM Cn1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000497986369 648045427 /nfs/dbraw/zinc/04/54/27/648045427.db2.gz XVCXOHMPMUJBCB-UHFFFAOYSA-N -1 1 375.204 1.569 20 5 GDBDMM CO[C@](C)(CO)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594486415 652307070 /nfs/dbraw/zinc/30/70/70/652307070.db2.gz ZLBDKHCRHPYWDI-NSHDSACASA-N -1 1 383.220 1.033 20 5 GDBDMM COC[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])OC ZINC000594796109 652365970 /nfs/dbraw/zinc/36/59/70/652365970.db2.gz VNOLZFKDTIGSED-SNVBAGLBSA-N -1 1 397.247 1.687 20 5 GDBDMM O=C(N[C@H](CO)c1ccc(Br)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618390088 652982181 /nfs/dbraw/zinc/98/21/81/652982181.db2.gz BJACMIARFPQDEQ-LLVKDONJSA-N -1 1 382.170 1.921 20 5 GDBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n[nH]1 ZINC000738385894 654657308 /nfs/dbraw/zinc/65/73/08/654657308.db2.gz YWBRVNXYJGSEJP-UHFFFAOYSA-N -1 1 375.204 1.867 20 5 GDBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[nH]n1 ZINC000738385894 654657309 /nfs/dbraw/zinc/65/73/09/654657309.db2.gz YWBRVNXYJGSEJP-UHFFFAOYSA-N -1 1 375.204 1.867 20 5 GDBDMM CS(=O)(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740896869 654676287 /nfs/dbraw/zinc/67/62/87/654676287.db2.gz GTBRDIRGIMLYGJ-QWRGUYRKSA-N -1 1 396.874 1.882 20 5 GDBDMM CCN1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1=O ZINC000801714623 654931836 /nfs/dbraw/zinc/93/18/36/654931836.db2.gz VESQBQWFXPNAHJ-SECBINFHSA-N -1 1 392.231 1.256 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H]1CN(C)CCO1 ZINC000830908112 654962498 /nfs/dbraw/zinc/96/24/98/654962498.db2.gz BQRKOIRFFCUDIE-KWQFWETISA-N -1 1 398.268 1.899 20 5 GDBDMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cn1 ZINC000788218089 654987076 /nfs/dbraw/zinc/98/70/76/654987076.db2.gz YMPYELVJFAOIKO-UHFFFAOYSA-N -1 1 391.814 1.848 20 5 GDBDMM CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832067306 655008640 /nfs/dbraw/zinc/00/86/40/655008640.db2.gz RVFRCZWBUZFRGD-UFBFGSQYSA-N -1 1 382.797 1.717 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)COCC2CC2)c(Cl)cc1Cl ZINC000809819079 655138303 /nfs/dbraw/zinc/13/83/03/655138303.db2.gz MHHZDGQFRQVKMF-VIFPVBQESA-N -1 1 399.252 1.967 20 5 GDBDMM Cn1cc([C@@H](O)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cn1 ZINC000809820960 655138482 /nfs/dbraw/zinc/13/84/82/655138482.db2.gz FTRNEKLPNZSHMT-NSHDSACASA-N -1 1 395.224 1.647 20 5 GDBDMM CCOC(=O)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795871220 655192244 /nfs/dbraw/zinc/19/22/44/655192244.db2.gz BNUHLMMGWFYXEQ-UHFFFAOYSA-N -1 1 399.194 1.728 20 5 GDBDMM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1=O ZINC000815012542 655278108 /nfs/dbraw/zinc/27/81/08/655278108.db2.gz DPYSDIJXLLRLJY-JTQLQIEISA-N -1 1 379.797 1.675 20 5 GDBDMM CC(C)(CN1CCOCC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000841559907 655347056 /nfs/dbraw/zinc/34/70/56/655347056.db2.gz JFSJBQMKQYZGFB-UHFFFAOYSA-N -1 1 395.840 1.776 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)[C@H]2CCCOC2)c1Cl ZINC000841559900 655347079 /nfs/dbraw/zinc/34/70/79/655347079.db2.gz JAFYKZLIRDKWNL-WPRPVWTQSA-N -1 1 399.252 1.967 20 5 GDBDMM CN1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1=O ZINC000819893543 655398239 /nfs/dbraw/zinc/39/82/39/655398239.db2.gz KJNGGNUWRNSDRS-MRVPVSSYSA-N -1 1 379.797 1.534 20 5 GDBDMM COC[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])OC ZINC000849415223 655530248 /nfs/dbraw/zinc/53/02/48/655530248.db2.gz JNDPRHLODJFGQE-JTQLQIEISA-N -1 1 397.247 1.687 20 5 GDBDMM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(=O)[O-])C1 ZINC000517247850 939248135 /nfs/dbraw/zinc/24/81/35/939248135.db2.gz WZYATYQMAOLYBE-GLXFQSAKSA-N -1 1 376.369 1.859 20 5 GDBDMM CCOC(=O)c1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc([N+](=O)[O-])c1 ZINC000821337197 945672853 /nfs/dbraw/zinc/67/28/53/945672853.db2.gz CSYUTLBTLRBJTO-UHFFFAOYSA-N -1 1 389.353 1.660 20 5 GDBDMM CCOC(=O)c1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc([N+](=O)[O-])c1 ZINC000821337197 945672857 /nfs/dbraw/zinc/67/28/57/945672857.db2.gz CSYUTLBTLRBJTO-UHFFFAOYSA-N -1 1 389.353 1.660 20 5 GDBDMM O=C(NCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000823205885 946343197 /nfs/dbraw/zinc/34/31/97/946343197.db2.gz ARQYIFWQVPUHLJ-UHFFFAOYSA-N -1 1 390.310 1.290 20 5 GDBDMM O=C(NCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000823205885 946343210 /nfs/dbraw/zinc/34/32/10/946343210.db2.gz ARQYIFWQVPUHLJ-UHFFFAOYSA-N -1 1 390.310 1.290 20 5 GDBDMM CC(C)n1cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cn1 ZINC001574454698 949285686 /nfs/dbraw/zinc/28/56/86/949285686.db2.gz AQIYQGQKNIVTSH-UHFFFAOYSA-N -1 1 379.358 1.320 20 5 GDBDMM COc1cc(CN[C@@]2(C(=O)[O-])CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001594058244 958057204 /nfs/dbraw/zinc/05/72/04/958057204.db2.gz HCIIWCLYGHGJDB-HNNXBMFYSA-N -1 1 376.312 1.581 20 5 GDBDMM C[C@](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC001573630911 959553211 /nfs/dbraw/zinc/55/32/11/959553211.db2.gz NFMGRFFGHYZNBE-QGZVFWFLSA-N -1 1 378.406 1.958 20 5 GDBDMM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000852737537 969291351 /nfs/dbraw/zinc/29/13/51/969291351.db2.gz TZYUZJSMCQHQOO-ZYHUDNBSSA-N -1 1 375.303 1.691 20 5 GDBDMM CN(CCCC(=O)[O-])C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001604227673 972726697 /nfs/dbraw/zinc/72/66/97/972726697.db2.gz JJEGCIMVDWIUSA-UHFFFAOYSA-N -1 1 379.417 1.675 20 5 GDBDMM CC(C)[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC001591903952 976299525 /nfs/dbraw/zinc/29/95/25/976299525.db2.gz JNWAPNFRXGZEOK-KRWDZBQOSA-N -1 1 379.413 1.795 20 5 GDBDMM COc1cc(C(=O)Nc2nnc(CCC(=O)[O-])s2)c([N+](=O)[O-])cc1OC ZINC000737849605 978450611 /nfs/dbraw/zinc/45/06/11/978450611.db2.gz NZWBMYHGKCLSIZ-UHFFFAOYSA-N -1 1 382.354 1.733 20 5 GDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001594523014 986022340 /nfs/dbraw/zinc/02/23/40/986022340.db2.gz ZFEJGUQHIHVUSD-CYBMUJFWSA-N -1 1 387.396 1.402 20 5 GDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC001594525298 986033743 /nfs/dbraw/zinc/03/37/43/986033743.db2.gz JHWAZDRPQYFBSK-GFCCVEGCSA-N -1 1 375.385 1.626 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000065973627 530757386 /nfs/dbraw/zinc/75/73/86/530757386.db2.gz MAELOWKNXABOHM-SECBINFHSA-N -1 1 387.801 1.824 20 5 GDBDMM O=C1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCN1CC(F)(F)F ZINC000120929218 530947922 /nfs/dbraw/zinc/94/79/22/530947922.db2.gz ZGYBUSUKXHADCJ-ZETCQYMHSA-N -1 1 387.361 1.488 20 5 GDBDMM O=C(N[C@@H](CO)c1cccc(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193862042 530995322 /nfs/dbraw/zinc/99/53/22/530995322.db2.gz XQLHWKWVTKVKKY-NSHDSACASA-N -1 1 382.170 1.921 20 5 GDBDMM COCCOCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000263914573 531160243 /nfs/dbraw/zinc/16/02/43/531160243.db2.gz NSJRSBRZPIVYBI-UHFFFAOYSA-N -1 1 397.247 1.689 20 5 GDBDMM O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155642568 531201996 /nfs/dbraw/zinc/20/19/96/531201996.db2.gz OALJDXBCBYEXMI-MRVPVSSYSA-N -1 1 381.190 1.890 20 5 GDBDMM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1cc[nH]n1 ZINC000472333705 531227674 /nfs/dbraw/zinc/22/76/74/531227674.db2.gz FADCMKCLEQXZIY-VIFPVBQESA-N -1 1 387.443 1.711 20 5 GDBDMM COC(=O)[C@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1 ZINC000290885558 531262283 /nfs/dbraw/zinc/26/22/83/531262283.db2.gz ZEPGJQOYWTVBKX-LBPRGKRZSA-N -1 1 399.208 1.512 20 5 GDBDMM C[C@@H](CCCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000277739565 531308126 /nfs/dbraw/zinc/30/81/26/531308126.db2.gz IMMSETJPGUMZAO-ZETCQYMHSA-N -1 1 385.211 1.936 20 5 GDBDMM CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000442348538 531373442 /nfs/dbraw/zinc/37/34/42/531373442.db2.gz KWFUOOVHUIGHJU-UHFFFAOYSA-N -1 1 385.423 1.445 20 5 GDBDMM NC(=O)Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000589235666 531668439 /nfs/dbraw/zinc/66/84/39/531668439.db2.gz JYTQLCDWIXNDSQ-UHFFFAOYSA-N -1 1 383.813 1.755 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCCN1CCO ZINC000451673813 531664056 /nfs/dbraw/zinc/66/40/56/531664056.db2.gz XBBATPNBHXUZJY-LLVKDONJSA-N -1 1 377.850 1.373 20 5 GDBDMM O=C1CCC(=O)N1CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296932540 531740418 /nfs/dbraw/zinc/74/04/18/531740418.db2.gz XEDAJHIJBGXJIG-UHFFFAOYSA-N -1 1 396.208 1.329 20 5 GDBDMM COC1(C[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])CCC1 ZINC000593278695 531826690 /nfs/dbraw/zinc/82/66/90/531826690.db2.gz UVHYRDYQKFHCCQ-JTQLQIEISA-N -1 1 376.362 1.425 20 5 GDBDMM COC(=O)[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCSC1 ZINC000270239552 531846027 /nfs/dbraw/zinc/84/60/27/531846027.db2.gz KUZMDEAFCMJSTQ-GFCCVEGCSA-N -1 1 380.831 1.575 20 5 GDBDMM CCn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)nn1 ZINC000594840123 531859179 /nfs/dbraw/zinc/85/91/79/531859179.db2.gz WXYSXFPCYKBNHG-UHFFFAOYSA-N -1 1 390.219 1.447 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1COC2(CCOCC2)O1 ZINC000272000580 532070124 /nfs/dbraw/zinc/07/01/24/532070124.db2.gz DGSBBZJSEWGYSR-NSHDSACASA-N -1 1 392.817 1.449 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCCOCCO ZINC000272724506 532111887 /nfs/dbraw/zinc/11/18/87/532111887.db2.gz FYEZFFNPQXSEKB-UHFFFAOYSA-N -1 1 383.220 1.035 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ncn(C)n1 ZINC000275593026 532301496 /nfs/dbraw/zinc/30/14/96/532301496.db2.gz DRWJCLBKCDDLCC-ZETCQYMHSA-N -1 1 379.320 1.782 20 5 GDBDMM O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738278911 599422890 /nfs/dbraw/zinc/42/28/90/599422890.db2.gz PFUIZBLVQBVUOV-UHFFFAOYSA-N -1 1 380.368 1.132 20 5 GDBDMM O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738278911 599422891 /nfs/dbraw/zinc/42/28/91/599422891.db2.gz PFUIZBLVQBVUOV-UHFFFAOYSA-N -1 1 380.368 1.132 20 5 GDBDMM O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000826473105 607450278 /nfs/dbraw/zinc/45/02/78/607450278.db2.gz LCWKPRLBCJPCHL-UHFFFAOYSA-N -1 1 397.370 1.876 20 5 GDBDMM O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000826473105 607450279 /nfs/dbraw/zinc/45/02/79/607450279.db2.gz LCWKPRLBCJPCHL-UHFFFAOYSA-N -1 1 397.370 1.876 20 5 GDBDMM CCc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)no1 ZINC000825744458 607451983 /nfs/dbraw/zinc/45/19/83/607451983.db2.gz APIFBGBMZHHHPN-UHFFFAOYSA-N -1 1 385.388 1.043 20 5 GDBDMM CCc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)no1 ZINC000825744458 607451984 /nfs/dbraw/zinc/45/19/84/607451984.db2.gz APIFBGBMZHHHPN-UHFFFAOYSA-N -1 1 385.388 1.043 20 5 GDBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc([N+](=O)[O-])c1 ZINC000833301317 600691316 /nfs/dbraw/zinc/69/13/16/600691316.db2.gz WOZYKZZPBQKGCD-UHFFFAOYSA-N -1 1 378.318 1.764 20 5 GDBDMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827694739 601083337 /nfs/dbraw/zinc/08/33/37/601083337.db2.gz JRKSGKFVHYKBPF-VIFPVBQESA-N -1 1 397.347 1.926 20 5 GDBDMM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO ZINC000833294580 601858667 /nfs/dbraw/zinc/85/86/67/601858667.db2.gz LBSLZEQAXAQLFC-UHFFFAOYSA-N -1 1 399.356 1.637 20 5 GDBDMM C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)[O-])C1 ZINC000739038347 601990434 /nfs/dbraw/zinc/99/04/34/601990434.db2.gz KRQUIKXARXNXCU-UWVGGRQHSA-N -1 1 375.378 1.791 20 5 GDBDMM Cc1cc(N2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890712 602317117 /nfs/dbraw/zinc/31/71/17/602317117.db2.gz AUONLQAIVHGCOW-HOCLYGCPSA-N -1 1 392.456 1.443 20 5 GDBDMM Cc1c(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826242999 607592301 /nfs/dbraw/zinc/59/23/01/607592301.db2.gz PJKODKGEIQULPS-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1c(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826242999 607592302 /nfs/dbraw/zinc/59/23/02/607592302.db2.gz PJKODKGEIQULPS-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000739208489 603092453 /nfs/dbraw/zinc/09/24/53/603092453.db2.gz MVBRMGRMINKJAX-PELKAZGASA-N -1 1 377.357 1.704 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000826499949 607609193 /nfs/dbraw/zinc/60/91/93/607609193.db2.gz FRVJAOYYHGBXJA-UHFFFAOYSA-N -1 1 396.335 1.532 20 5 GDBDMM CS[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826227159 607618456 /nfs/dbraw/zinc/61/84/56/607618456.db2.gz MSUQGMIKNWXGPE-ZJUUUORDSA-N -1 1 398.470 1.727 20 5 GDBDMM CS[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826227156 607618512 /nfs/dbraw/zinc/61/85/12/607618512.db2.gz MSUQGMIKNWXGPE-NXEZZACHSA-N -1 1 398.470 1.727 20 5 GDBDMM C[C@H]1CC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H](C)C1 ZINC000824875242 607639748 /nfs/dbraw/zinc/63/97/48/607639748.db2.gz JZUCONFCQLSBEC-NXEZZACHSA-N -1 1 380.430 1.878 20 5 GDBDMM CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC(NC(=O)[O-])CC1 ZINC000828101878 603834673 /nfs/dbraw/zinc/83/46/73/603834673.db2.gz BMYKIZOYRVPJFH-UHFFFAOYSA-N -1 1 376.413 1.995 20 5 GDBDMM CCO[C@@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(C)C ZINC000825576461 607658607 /nfs/dbraw/zinc/65/86/07/607658607.db2.gz HVGXXUSCYHZKIU-LBPRGKRZSA-N -1 1 398.445 1.504 20 5 GDBDMM C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])N1CCC[C@H](C)C1 ZINC000833613740 605391895 /nfs/dbraw/zinc/39/18/95/605391895.db2.gz HAKYDSBMTMBMNU-RYUDHWBXSA-N -1 1 385.442 1.692 20 5 GDBDMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000834181078 605432468 /nfs/dbraw/zinc/43/24/68/605432468.db2.gz BANJBMCRBJQXPZ-VNQPRFMTSA-N -1 1 388.424 1.852 20 5 GDBDMM Cc1ccc(N2CCC[C@H](N(C)c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)nn1 ZINC000822241190 606708390 /nfs/dbraw/zinc/70/83/90/606708390.db2.gz NQOYEQZABRPZDK-LBPRGKRZSA-N -1 1 396.415 1.374 20 5 GDBDMM Cc1ccc(N2CCC[C@H](N(C)c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)nn1 ZINC000822241190 606708392 /nfs/dbraw/zinc/70/83/92/606708392.db2.gz NQOYEQZABRPZDK-LBPRGKRZSA-N -1 1 396.415 1.374 20 5 GDBDMM CN(C[C@@H](O)COCc1ccccc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821595380 606710111 /nfs/dbraw/zinc/71/01/11/606710111.db2.gz VWDKIRVIQILEJV-CYBMUJFWSA-N -1 1 385.384 1.184 20 5 GDBDMM CN(C[C@@H](O)COCc1ccccc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821595380 606710112 /nfs/dbraw/zinc/71/01/12/606710112.db2.gz VWDKIRVIQILEJV-CYBMUJFWSA-N -1 1 385.384 1.184 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCNc1nccc(C(F)(F)F)n1 ZINC000823624553 606712822 /nfs/dbraw/zinc/71/28/22/606712822.db2.gz CJAUDYDEADVRBV-UHFFFAOYSA-N -1 1 396.293 1.503 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCNc1nccc(C(F)(F)F)n1 ZINC000823624553 606712823 /nfs/dbraw/zinc/71/28/23/606712823.db2.gz CJAUDYDEADVRBV-UHFFFAOYSA-N -1 1 396.293 1.503 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc2c(c1)CCS2(=O)=O ZINC000823625000 606720404 /nfs/dbraw/zinc/72/04/04/606720404.db2.gz NSQVQZRFGMSICQ-UHFFFAOYSA-N -1 1 387.381 1.112 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc2c(c1)CCS2(=O)=O ZINC000823625000 606720405 /nfs/dbraw/zinc/72/04/05/606720405.db2.gz NSQVQZRFGMSICQ-UHFFFAOYSA-N -1 1 387.381 1.112 20 5 GDBDMM CCC[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821039543 606736044 /nfs/dbraw/zinc/73/60/44/606736044.db2.gz DHMDDEFPAGZUSI-LLVKDONJSA-N -1 1 380.430 1.976 20 5 GDBDMM COc1cc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c([N+](=O)[O-])cc1F ZINC000821720043 606910468 /nfs/dbraw/zinc/91/04/68/606910468.db2.gz MXHHBTQRIHOXCZ-UHFFFAOYSA-N -1 1 377.340 1.273 20 5 GDBDMM COc1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c([N+](=O)[O-])cc1F ZINC000821720043 606910469 /nfs/dbraw/zinc/91/04/69/606910469.db2.gz MXHHBTQRIHOXCZ-UHFFFAOYSA-N -1 1 377.340 1.273 20 5 GDBDMM O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823392016 607133767 /nfs/dbraw/zinc/13/37/67/607133767.db2.gz KTNAPJOTRIQKSM-QWHCGFSZSA-N -1 1 384.356 1.707 20 5 GDBDMM O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823392016 607133768 /nfs/dbraw/zinc/13/37/68/607133768.db2.gz KTNAPJOTRIQKSM-QWHCGFSZSA-N -1 1 384.356 1.707 20 5 GDBDMM CS(=O)(=O)Nc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821936953 607166276 /nfs/dbraw/zinc/16/62/76/607166276.db2.gz IKVVWESGHMSSTG-UHFFFAOYSA-N -1 1 390.385 1.154 20 5 GDBDMM CS(=O)(=O)Nc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821936953 607166278 /nfs/dbraw/zinc/16/62/78/607166278.db2.gz IKVVWESGHMSSTG-UHFFFAOYSA-N -1 1 390.385 1.154 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1Cn1cncn1 ZINC000823625153 607168533 /nfs/dbraw/zinc/16/85/33/607168533.db2.gz RCWNNJGLWOGJIK-UHFFFAOYSA-N -1 1 378.356 1.422 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1Cn1cncn1 ZINC000823625153 607168535 /nfs/dbraw/zinc/16/85/35/607168535.db2.gz RCWNNJGLWOGJIK-UHFFFAOYSA-N -1 1 378.356 1.422 20 5 GDBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000825930357 608408202 /nfs/dbraw/zinc/40/82/02/608408202.db2.gz ULSZLKUGQKHWKF-UHFFFAOYSA-N -1 1 386.376 1.177 20 5 GDBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000825930357 608408204 /nfs/dbraw/zinc/40/82/04/608408204.db2.gz ULSZLKUGQKHWKF-UHFFFAOYSA-N -1 1 386.376 1.177 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826500113 609590367 /nfs/dbraw/zinc/59/03/67/609590367.db2.gz LQBGVCXOOCPBBW-SNVBAGLBSA-N -1 1 382.402 1.012 20 5 GDBDMM COC(=O)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826117488 609621062 /nfs/dbraw/zinc/62/10/62/609621062.db2.gz MIDGVIJMDIQSGU-AWEZNQCLSA-N -1 1 399.319 1.552 20 5 GDBDMM O=C([O-])[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000548533518 650549709 /nfs/dbraw/zinc/54/97/09/650549709.db2.gz KHYYHBPWIPJJAW-QUBYGPBYSA-N -1 1 399.208 1.670 20 5 GDBDMM 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380.401 1.143 20 5 GDBDMM CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])c1 ZINC001599820913 988512075 /nfs/dbraw/zinc/51/20/75/988512075.db2.gz HMDYVVQKFCLIIR-UHFFFAOYSA-N -1 1 396.469 1.091 20 5 GDBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CS(N)(=O)=O)cc1 ZINC000042005103 530625775 /nfs/dbraw/zinc/62/57/75/530625775.db2.gz ODHLUAZCSZSAOH-UHFFFAOYSA-N -1 1 385.423 1.493 20 5 GDBDMM CN(C)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000067404687 530775902 /nfs/dbraw/zinc/77/59/02/530775902.db2.gz HGZHJLMKJZMIEX-LBPRGKRZSA-N -1 1 383.451 1.634 20 5 GDBDMM C[C@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccsc2S1(=O)=O ZINC000291548120 531298294 /nfs/dbraw/zinc/29/82/94/531298294.db2.gz MNJFMVOIBGBBRG-XVKPBYJWSA-N -1 1 383.407 1.794 20 5 GDBDMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)(C(=O)OC)C1(C)C ZINC000444286941 531399972 /nfs/dbraw/zinc/39/99/72/531399972.db2.gz NXVDROHSHMCNSZ-YMTOWFKASA-N -1 1 392.455 1.681 20 5 GDBDMM CS(=O)(=O)Cc1noc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000538262493 531467870 /nfs/dbraw/zinc/46/78/70/531467870.db2.gz BKABWEAMVHPEOT-UHFFFAOYSA-N -1 1 382.379 1.411 20 5 GDBDMM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000268719339 531560491 /nfs/dbraw/zinc/56/04/91/531560491.db2.gz CHBQJDCEQAXWRD-SSDOTTSWSA-N -1 1 381.204 1.445 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC1CCS(=O)(=O)CC1 ZINC000507949341 531754279 /nfs/dbraw/zinc/75/42/79/531754279.db2.gz GVEWWVQRNXATCW-UHFFFAOYSA-N -1 1 396.874 1.741 20 5 GDBDMM COCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000269815790 531769796 /nfs/dbraw/zinc/76/97/96/531769796.db2.gz VEAURAKKYQYRQU-GFCCVEGCSA-N -1 1 397.247 1.423 20 5 GDBDMM CSC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000269833464 531777922 /nfs/dbraw/zinc/77/79/22/531777922.db2.gz XRPYOBUKEQHCNR-LLVKDONJSA-N -1 1 399.288 1.750 20 5 GDBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H]1CS(=O)(=O)c2ccccc21 ZINC000373388894 532078716 /nfs/dbraw/zinc/07/87/16/532078716.db2.gz ACGUHPMFEHAZDF-ZDUSSCGKSA-N -1 1 382.419 1.543 20 5 GDBDMM O=C(N1CCCC1)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000375687734 532178082 /nfs/dbraw/zinc/17/80/82/532178082.db2.gz HAPCLLPGBNYTBJ-LLVKDONJSA-N -1 1 388.471 1.615 20 5 GDBDMM O=C(N1CCCC1)N1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000375687735 532178631 /nfs/dbraw/zinc/17/86/31/532178631.db2.gz HAPCLLPGBNYTBJ-NSHDSACASA-N -1 1 388.471 1.615 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)s1 ZINC000377780731 532274000 /nfs/dbraw/zinc/27/40/00/532274000.db2.gz RVTNOPGIXUZDHG-GWCFXTLKSA-N -1 1 376.456 1.645 20 5 GDBDMM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289653287 532330121 /nfs/dbraw/zinc/33/01/21/532330121.db2.gz BDDHQWJHKGPUPP-UHFFFAOYSA-N -1 1 386.810 1.243 20 5 GDBDMM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000289779110 532332040 /nfs/dbraw/zinc/33/20/40/532332040.db2.gz HZEAOQJSZJVSQA-SNVBAGLBSA-N -1 1 393.824 1.924 20 5 GDBDMM C[S@@](=O)C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000289920589 532333903 /nfs/dbraw/zinc/33/39/03/532333903.db2.gz QQGPIHRZJFRQGL-JOCHJYFZSA-N -1 1 384.838 1.967 20 5 GDBDMM CC(=O)c1ccc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000819833503 599141149 /nfs/dbraw/zinc/14/11/49/599141149.db2.gz GEUFHUPLEUFKPJ-UHFFFAOYSA-N -1 1 385.388 1.352 20 5 GDBDMM CC(=O)c1ccc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000819833503 599141152 /nfs/dbraw/zinc/14/11/52/599141152.db2.gz GEUFHUPLEUFKPJ-UHFFFAOYSA-N -1 1 385.388 1.352 20 5 GDBDMM Cc1nn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)c(=O)c(-c2nn[n-]n2)c1C ZINC000737521991 598787829 /nfs/dbraw/zinc/78/78/29/598787829.db2.gz LMAFZAHCDDDYMK-UHFFFAOYSA-N -1 1 385.384 1.784 20 5 GDBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000600867526 601092220 /nfs/dbraw/zinc/09/22/20/601092220.db2.gz AWKABEAMJNNSJM-ZDUSSCGKSA-N -1 1 387.396 1.402 20 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IJORYKGSVPETNT-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM O=[N+]([O-])c1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826498536 607594691 /nfs/dbraw/zinc/59/46/91/607594691.db2.gz ZSNPIHGZLVGPEA-UHFFFAOYSA-N -1 1 394.800 1.907 20 5 GDBDMM O=[N+]([O-])c1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826498536 607594692 /nfs/dbraw/zinc/59/46/92/607594692.db2.gz ZSNPIHGZLVGPEA-UHFFFAOYSA-N -1 1 394.800 1.907 20 5 GDBDMM CC(C)n1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)n1 ZINC000824371707 607620652 /nfs/dbraw/zinc/62/06/52/607620652.db2.gz PAMJOFDTHYLISK-UHFFFAOYSA-N -1 1 392.401 1.031 20 5 GDBDMM CCC(CC)(CCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825089611 607657469 /nfs/dbraw/zinc/65/74/69/607657469.db2.gz JEMKZZMJFAFZAP-UHFFFAOYSA-N -1 1 398.445 1.242 20 5 GDBDMM Cc1cnc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1 ZINC000826317781 607664122 /nfs/dbraw/zinc/66/41/22/607664122.db2.gz NJPWWFORWHFTKV-QMMMGPOBSA-N -1 1 395.426 1.579 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cccnc2Cl)c1-c1nn[n-]n1 ZINC000826500368 607677477 /nfs/dbraw/zinc/67/74/77/607677477.db2.gz VXPILINLOMZKOW-UHFFFAOYSA-N -1 1 382.745 1.591 20 5 GDBDMM Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000833034389 604770658 /nfs/dbraw/zinc/77/06/58/604770658.db2.gz ZXGMEILINQOMFG-UHFFFAOYSA-N -1 1 385.379 1.563 20 5 GDBDMM C[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1CCC(=O)[O-] ZINC000833620904 605129638 /nfs/dbraw/zinc/12/96/38/605129638.db2.gz IHUMDRWOVQCCPA-JTQLQIEISA-N -1 1 387.339 1.817 20 5 GDBDMM C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN1CCC(=O)[O-] ZINC000833625775 605257568 /nfs/dbraw/zinc/25/75/68/605257568.db2.gz ZZVFYSHEDKRQAI-CYBMUJFWSA-N -1 1 387.396 1.402 20 5 GDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000822619793 606186426 /nfs/dbraw/zinc/18/64/26/606186426.db2.gz FWDVYFUYUYGEJQ-UHFFFAOYSA-N -1 1 393.161 1.523 20 5 GDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000822619793 606186428 /nfs/dbraw/zinc/18/64/28/606186428.db2.gz FWDVYFUYUYGEJQ-UHFFFAOYSA-N -1 1 393.161 1.523 20 5 GDBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000823436135 606651623 /nfs/dbraw/zinc/65/16/23/606651623.db2.gz IMKUXXIHWGYMHM-UHFFFAOYSA-N -1 1 392.335 1.713 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000823615018 606700063 /nfs/dbraw/zinc/70/00/63/606700063.db2.gz XNIGTZIMPBAXFX-CHWSQXEVSA-N -1 1 378.396 1.743 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000823615018 606700065 /nfs/dbraw/zinc/70/00/65/606700065.db2.gz XNIGTZIMPBAXFX-CHWSQXEVSA-N -1 1 378.396 1.743 20 5 GDBDMM CC(C)(C)OC(=O)N[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000819940295 606700516 /nfs/dbraw/zinc/70/05/16/606700516.db2.gz WBEYHPODVCIKPM-JTQLQIEISA-N -1 1 390.404 1.663 20 5 GDBDMM CC(C)(C)OC(=O)N[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000819940295 606700517 /nfs/dbraw/zinc/70/05/17/606700517.db2.gz WBEYHPODVCIKPM-JTQLQIEISA-N -1 1 390.404 1.663 20 5 GDBDMM Cc1ccc(N(C)C2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)nn1 ZINC000822241198 606708743 /nfs/dbraw/zinc/70/87/43/606708743.db2.gz OASSFDMDKSROHZ-UHFFFAOYSA-N -1 1 396.415 1.374 20 5 GDBDMM Cc1ccc(N(C)C2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)nn1 ZINC000822241198 606708744 /nfs/dbraw/zinc/70/87/44/606708744.db2.gz OASSFDMDKSROHZ-UHFFFAOYSA-N -1 1 396.415 1.374 20 5 GDBDMM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000819933299 606709608 /nfs/dbraw/zinc/70/96/08/606709608.db2.gz MTOWSJUWWUGRDE-JTQLQIEISA-N -1 1 390.404 1.981 20 5 GDBDMM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000819933299 606709609 /nfs/dbraw/zinc/70/96/09/606709609.db2.gz MTOWSJUWWUGRDE-JTQLQIEISA-N -1 1 390.404 1.981 20 5 GDBDMM CC(C)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820069320 606732194 /nfs/dbraw/zinc/73/21/94/606732194.db2.gz ZYEIFFKJERGZRR-LLVKDONJSA-N -1 1 380.430 1.974 20 5 GDBDMM CN(CCc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821607530 606736681 /nfs/dbraw/zinc/73/66/81/606736681.db2.gz SJWFDAGTBBGNDO-UHFFFAOYSA-N -1 1 394.438 1.700 20 5 GDBDMM CN(c1cccc(O)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821619478 607155472 /nfs/dbraw/zinc/15/54/72/607155472.db2.gz YUKRKUAHQLHDKX-UHFFFAOYSA-N -1 1 376.354 1.306 20 5 GDBDMM Cc1cccc(NC(=O)CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1C ZINC000822323380 607163406 /nfs/dbraw/zinc/16/34/06/607163406.db2.gz FWSDVJYIBGUDHI-UHFFFAOYSA-N -1 1 382.384 1.862 20 5 GDBDMM Cc1cccc(NC(=O)CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1C ZINC000822323380 607163407 /nfs/dbraw/zinc/16/34/07/607163407.db2.gz FWSDVJYIBGUDHI-UHFFFAOYSA-N -1 1 382.384 1.862 20 5 GDBDMM Cc1cc(C)n(C[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CCO2)n1 ZINC000826265453 607842125 /nfs/dbraw/zinc/84/21/25/607842125.db2.gz ZTBTZSUZPYODAE-AWEZNQCLSA-N -1 1 384.400 1.494 20 5 GDBDMM Cc1cc(C)n(C[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CCO2)n1 ZINC000826265453 607842126 /nfs/dbraw/zinc/84/21/26/607842126.db2.gz ZTBTZSUZPYODAE-AWEZNQCLSA-N -1 1 384.400 1.494 20 5 GDBDMM CCC[C@H]1SCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825261401 608236496 /nfs/dbraw/zinc/23/64/96/608236496.db2.gz YPSBATAZCDCXDY-LLVKDONJSA-N -1 1 384.443 1.639 20 5 GDBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2cnc(-c3nn[n-]n3)n2)cc1OC ZINC000825067753 609376055 /nfs/dbraw/zinc/37/60/55/609376055.db2.gz MFBIVVPILALSCP-JTQLQIEISA-N -1 1 388.388 1.848 20 5 GDBDMM Cc1n[nH]cc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038110334 644322101 /nfs/dbraw/zinc/32/21/01/644322101.db2.gz XIILMOFOWQAJCW-UHFFFAOYSA-N -1 1 375.204 1.867 20 5 GDBDMM C[C@@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[S@](C)=O ZINC000124191114 644704740 /nfs/dbraw/zinc/70/47/40/644704740.db2.gz SBJOVWHGISKEEI-FFVOIRBGSA-N -1 1 399.288 1.793 20 5 GDBDMM Cc1nnsc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000292091171 645203386 /nfs/dbraw/zinc/20/33/86/645203386.db2.gz SIIYLFWYKSWCLB-UHFFFAOYSA-N -1 1 387.399 1.758 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CN2CCN1CCC2 ZINC000917061662 660205083 /nfs/dbraw/zinc/20/50/83/660205083.db2.gz OHJFGQQFBSLQEI-SNVBAGLBSA-N -1 1 392.840 1.056 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1(O)CCOCC1 ZINC000476200343 647773495 /nfs/dbraw/zinc/77/34/95/647773495.db2.gz KXTDJRIUIUJNJL-UHFFFAOYSA-N -1 1 395.231 1.177 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)N1Cc2ccccc2C1 ZINC000480949668 647863703 /nfs/dbraw/zinc/86/37/03/647863703.db2.gz FEQNQBFWMRAPTN-SNVBAGLBSA-N -1 1 381.435 1.866 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000510517511 648328938 /nfs/dbraw/zinc/32/89/38/648328938.db2.gz IVYMRBADXHUFPK-QMMMGPOBSA-N -1 1 382.847 1.492 20 5 GDBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CS1(=O)=O ZINC000594848609 652378417 /nfs/dbraw/zinc/37/84/17/652378417.db2.gz GONDDLVRHPSWBV-BDAKNGLRSA-N -1 1 382.847 1.492 20 5 GDBDMM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599460462 652501622 /nfs/dbraw/zinc/50/16/22/652501622.db2.gz NLRNELBTMWXNEX-ZJUUUORDSA-N -1 1 378.428 1.293 20 5 GDBDMM CC(=O)Nc1cccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000609196869 652837750 /nfs/dbraw/zinc/83/77/50/652837750.db2.gz UZGURQJLCHAFNZ-UHFFFAOYSA-N -1 1 385.423 1.972 20 5 GDBDMM COC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000611023499 652903480 /nfs/dbraw/zinc/90/34/80/652903480.db2.gz BAGYVLUCEJPVQH-LLVKDONJSA-N -1 1 383.220 1.033 20 5 GDBDMM CCOC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000770282399 654507492 /nfs/dbraw/zinc/50/74/92/654507492.db2.gz SRAOILLNLVDXSF-SECBINFHSA-N -1 1 377.806 1.757 20 5 GDBDMM CN(C)C(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000774784890 654639345 /nfs/dbraw/zinc/63/93/45/654639345.db2.gz QVNVSDPQFFITGQ-CMPLNLGQSA-N -1 1 391.833 1.162 20 5 GDBDMM Cc1cc(F)cc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c1[N+](=O)[O-] ZINC000753450145 654951085 /nfs/dbraw/zinc/95/10/85/654951085.db2.gz SPBUIAIGPCHLPO-UHFFFAOYSA-N -1 1 375.363 1.518 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCN1CCO ZINC000831805794 654998111 /nfs/dbraw/zinc/99/81/11/654998111.db2.gz ZKYLTVXCGJXDMF-SNVBAGLBSA-N -1 1 395.840 1.512 20 5 GDBDMM CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832066644 655008109 /nfs/dbraw/zinc/00/81/09/655008109.db2.gz LHRNPZOCGRMXTO-UFBFGSQYSA-N -1 1 382.797 1.717 20 5 GDBDMM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1=O ZINC000809823070 655138809 /nfs/dbraw/zinc/13/88/09/655138809.db2.gz XSHKCYUNDCKEGD-VHSKPIJISA-N -1 1 391.808 1.675 20 5 GDBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000795206852 655166568 /nfs/dbraw/zinc/16/65/68/655166568.db2.gz ITIBVQOPSOKPFA-SECBINFHSA-N -1 1 377.394 1.925 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cnn(CC(F)(F)F)c1 ZINC000763376758 655192614 /nfs/dbraw/zinc/19/26/14/655192614.db2.gz UWCGCGZYPQEDAE-UHFFFAOYSA-N -1 1 382.295 1.971 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000814999641 655277072 /nfs/dbraw/zinc/27/70/72/655277072.db2.gz IFHRUGZXXXFWRR-SSDOTTSWSA-N -1 1 381.813 1.969 20 5 GDBDMM COCCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815011470 655277898 /nfs/dbraw/zinc/27/78/98/655277898.db2.gz NMOLJMAXPGEEEE-SNVBAGLBSA-N -1 1 395.840 1.776 20 5 GDBDMM CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815029372 655280661 /nfs/dbraw/zinc/28/06/61/655280661.db2.gz NRPVCUMJIAMZOE-OIBJUYFYSA-N -1 1 379.797 1.580 20 5 GDBDMM NC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815044775 655283578 /nfs/dbraw/zinc/28/35/78/655283578.db2.gz ISOQWGCVIMOETK-MRVPVSSYSA-N -1 1 394.812 1.456 20 5 GDBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC(=O)N1 ZINC000841527057 655337862 /nfs/dbraw/zinc/33/78/62/655337862.db2.gz ANADYTYBPQQQDF-GFCCVEGCSA-N -1 1 392.231 1.304 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2nnnn2CC1 ZINC000817155494 655347409 /nfs/dbraw/zinc/34/74/09/655347409.db2.gz KWEVMWCBKNCZHY-ZETCQYMHSA-N -1 1 390.784 1.057 20 5 GDBDMM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)cc1Br ZINC000842308061 655361676 /nfs/dbraw/zinc/36/16/76/655361676.db2.gz SVZLLSGQAWHONN-PSASIEDQSA-N -1 1 377.216 1.536 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC[C@@]1(O)CCCOC1 ZINC000846027411 655445118 /nfs/dbraw/zinc/44/51/18/655445118.db2.gz OTDBRYAXMXJHLK-ZDUSSCGKSA-N -1 1 382.797 1.597 20 5 GDBDMM O=C1O[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000848516029 655496251 /nfs/dbraw/zinc/49/62/51/655496251.db2.gz XQLNGVGVSPYYSS-VIFPVBQESA-N -1 1 375.790 1.510 20 5 GDBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000849419096 655531013 /nfs/dbraw/zinc/53/10/13/655531013.db2.gz KGPSNRNUOGYPSZ-GFCCVEGCSA-N -1 1 378.834 1.968 20 5 GDBDMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000849426804 655533236 /nfs/dbraw/zinc/53/32/36/655533236.db2.gz AMMIKNWQNROJGJ-VHSXEESVSA-N -1 1 395.840 1.775 20 5 GDBDMM O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000859278195 655772900 /nfs/dbraw/zinc/77/29/00/655772900.db2.gz MOLPDFMARHHUHJ-SECBINFHSA-N -1 1 383.162 1.084 20 5 GDBDMM CON(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000859403547 655781584 /nfs/dbraw/zinc/78/15/84/655781584.db2.gz YBHSCFGRBHMFRS-LURJTMIESA-N -1 1 386.213 1.588 20 5 GDBDMM CCCc1[nH]nc(C(=O)N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001589688132 950089116 /nfs/dbraw/zinc/08/91/16/950089116.db2.gz FCSGLQQCJPTYDA-QWRGUYRKSA-N -1 1 390.400 1.334 20 5 GDBDMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC001594899033 954601562 /nfs/dbraw/zinc/60/15/62/954601562.db2.gz YGQWONHIOAMIIY-CJNGLKHVSA-N -1 1 377.397 1.026 20 5 GDBDMM COC(=O)C1CC2(C1)CN(Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]2C(=O)[O-] ZINC001593823879 955068549 /nfs/dbraw/zinc/06/85/49/955068549.db2.gz GQDDTJFOQFKRDL-HZEYSBKDSA-N -1 1 378.381 1.689 20 5 GDBDMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000852738479 955853121 /nfs/dbraw/zinc/85/31/21/955853121.db2.gz ZLEJYZJNDMGDFN-RYUDHWBXSA-N -1 1 375.303 1.691 20 5 GDBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000571566677 974731398 /nfs/dbraw/zinc/73/13/98/974731398.db2.gz UCBXMQSKLFJOLV-UHFFFAOYSA-N -1 1 399.451 2.226 20 5 GDBDMM CN(CCN1CCN(Cc2ccccc2)CC1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575752590 974800900 /nfs/dbraw/zinc/80/09/00/974800900.db2.gz PFHUMRKSZWZQDI-UHFFFAOYSA-N -1 1 399.451 1.942 20 5 GDBDMM CN1CCN(CCN(CC(=O)[O-])C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC001598615890 993878516 /nfs/dbraw/zinc/87/85/16/993878516.db2.gz ABISRFMNDQHHDC-UHFFFAOYSA-N -1 1 384.820 1.022 20 5 GDBDMM COc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599573317 998401523 /nfs/dbraw/zinc/40/15/23/998401523.db2.gz SLWXPQWQQKVRMF-UHFFFAOYSA-N -1 1 384.341 1.919 20 5 GDBDMM O=C(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000170664861 530587290 /nfs/dbraw/zinc/58/72/90/530587290.db2.gz HGRXJUVQDLXNRP-UHFFFAOYSA-N -1 1 375.834 1.929 20 5 GDBDMM CCOC(=O)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000041679015 530623769 /nfs/dbraw/zinc/62/37/69/530623769.db2.gz TUHJMFDQWCJTNB-UHFFFAOYSA-N -1 1 381.204 1.589 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1O ZINC000052008956 530682137 /nfs/dbraw/zinc/68/21/37/530682137.db2.gz CQWQFUUQRXSNPY-ONGXEEELSA-N -1 1 379.232 1.939 20 5 GDBDMM CCC(CC)([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(N)=O ZINC000101923298 530826143 /nfs/dbraw/zinc/82/61/43/530826143.db2.gz GLNKZRMNDMJYQW-UHFFFAOYSA-N -1 1 394.247 1.680 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](O)C1 ZINC000188338353 530892618 /nfs/dbraw/zinc/89/26/18/530892618.db2.gz WMNBSPQDDKZHAI-WPRPVWTQSA-N -1 1 379.232 1.797 20 5 GDBDMM O=C(NCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000131103821 531067730 /nfs/dbraw/zinc/06/77/30/531067730.db2.gz NKUOTWLVJLFLSC-UHFFFAOYSA-N -1 1 375.453 1.816 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1(N2CCOCC2)CCCC1 ZINC000475766704 531302837 /nfs/dbraw/zinc/30/28/37/531302837.db2.gz FYHOCOIAADDVCI-GFCCVEGCSA-N -1 1 389.499 1.968 20 5 GDBDMM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000278851099 531396381 /nfs/dbraw/zinc/39/63/81/531396381.db2.gz WXBAFWQFPLLGDR-QPUJVOFHSA-N -1 1 395.231 1.176 20 5 GDBDMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000537850271 531462651 /nfs/dbraw/zinc/46/26/51/531462651.db2.gz GRBDBKWDMDSZHB-UHFFFAOYSA-N -1 1 385.785 1.782 20 5 GDBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000416398495 531599060 /nfs/dbraw/zinc/59/90/60/531599060.db2.gz BEJKPBQOZKAURV-QMMMGPOBSA-N -1 1 382.238 1.815 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1O ZINC000269242641 531628416 /nfs/dbraw/zinc/62/84/16/531628416.db2.gz BUXJAJFTMZWTJY-KWQFWETISA-N -1 1 379.232 1.797 20 5 GDBDMM O=C1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1 ZINC000591332357 531715944 /nfs/dbraw/zinc/71/59/44/531715944.db2.gz KKKMCZFVNQNUPR-SECBINFHSA-N -1 1 392.231 1.304 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@]1(O)CCSC1 ZINC000269875075 531792517 /nfs/dbraw/zinc/79/25/17/531792517.db2.gz UZNAFJPPXWMMOT-NSHDSACASA-N -1 1 397.272 1.504 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@]1(O)CCSC1 ZINC000269875067 531792987 /nfs/dbraw/zinc/79/29/87/531792987.db2.gz UZNAFJPPXWMMOT-LLVKDONJSA-N -1 1 397.272 1.504 20 5 GDBDMM CC(C)[C@@](C)([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(N)=O ZINC000285302018 532063060 /nfs/dbraw/zinc/06/30/60/532063060.db2.gz LHRHOOLMMPZBFZ-GFCCVEGCSA-N -1 1 394.247 1.536 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000373088856 532063447 /nfs/dbraw/zinc/06/34/47/532063447.db2.gz VDKVPSWTABTPIQ-LLVKDONJSA-N -1 1 386.382 1.541 20 5 GDBDMM O=C([O-])C[NH+]1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000275233922 532279671 /nfs/dbraw/zinc/27/96/71/532279671.db2.gz JNVNOCABDRNMMA-UHFFFAOYSA-N -1 1 377.806 1.076 20 5 GDBDMM O=C([O-])CN1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000275358913 532289699 /nfs/dbraw/zinc/28/96/99/532289699.db2.gz USXDVNLIJKQWQT-UHFFFAOYSA-N -1 1 377.806 1.029 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)c1Cl ZINC000289027158 532313781 /nfs/dbraw/zinc/31/37/81/532313781.db2.gz CVVMNPKRVRENBU-LURJTMIESA-N -1 1 389.238 1.367 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)NCC(F)(F)F ZINC000289289326 532320772 /nfs/dbraw/zinc/32/07/72/532320772.db2.gz GPUJAEIHCFDBJZ-UHFFFAOYSA-N -1 1 393.702 1.344 20 5 GDBDMM 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Cn1c(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)ccc1[N+](=O)[O-] ZINC000830969636 603909019 /nfs/dbraw/zinc/90/90/19/603909019.db2.gz XVBACDSSZMHMJI-UHFFFAOYSA-N -1 1 385.340 1.738 20 5 GDBDMM Cn1c(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)ccc1[N+](=O)[O-] ZINC000830969636 603909025 /nfs/dbraw/zinc/90/90/25/603909025.db2.gz XVBACDSSZMHMJI-UHFFFAOYSA-N -1 1 385.340 1.738 20 5 GDBDMM CC(C)N(CC(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824288712 607674749 /nfs/dbraw/zinc/67/47/49/607674749.db2.gz KUELIMUTDLDSJT-UHFFFAOYSA-N -1 1 376.345 1.439 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC3CCC2CC3)c1-c1nn[n-]n1 ZINC000826500426 607675882 /nfs/dbraw/zinc/67/58/82/607675882.db2.gz YFRAGMQIQOFAHD-VQXHTEKXSA-N -1 1 378.414 1.632 20 5 GDBDMM C[C@H]1CN(c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000820777258 606697841 /nfs/dbraw/zinc/69/78/41/606697841.db2.gz QKBRFYKNTVXXOU-QWRGUYRKSA-N -1 1 397.399 1.922 20 5 GDBDMM C[C@H]1CN(c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000820777258 606697842 /nfs/dbraw/zinc/69/78/42/606697842.db2.gz QKBRFYKNTVXXOU-QWRGUYRKSA-N -1 1 397.399 1.922 20 5 GDBDMM CN(C[C@H]1CCCN1c1cccnn1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821596546 606707764 /nfs/dbraw/zinc/70/77/64/606707764.db2.gz NJWUZCMDFPZITP-LLVKDONJSA-N -1 1 382.388 1.065 20 5 GDBDMM CN(C[C@H]1CCCN1c1cccnn1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821596546 606707766 /nfs/dbraw/zinc/70/77/66/606707766.db2.gz NJWUZCMDFPZITP-LLVKDONJSA-N -1 1 382.388 1.065 20 5 GDBDMM C[C@H]1OCC[C@H]1Nc1cc(N[C@H]2CCO[C@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825022042 608148871 /nfs/dbraw/zinc/14/88/71/608148871.db2.gz VVBVZEMJPWHZMN-GIFSMMMISA-N -1 1 389.416 1.954 20 5 GDBDMM C[C@H]1OCC[C@H]1Nc1cc(N[C@H]2CCO[C@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825022042 608148872 /nfs/dbraw/zinc/14/88/72/608148872.db2.gz VVBVZEMJPWHZMN-GIFSMMMISA-N -1 1 389.416 1.954 20 5 GDBDMM 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C[C@]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])(C(N)=O)c1cccc(Cl)c1 ZINC000178602559 530724328 /nfs/dbraw/zinc/72/43/28/530724328.db2.gz WEJRWRRACTYMQE-OAHLLOKOSA-N -1 1 383.813 1.927 20 5 GDBDMM O=C1c2ccccc2CCN1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000188427020 530893796 /nfs/dbraw/zinc/89/37/96/530893796.db2.gz QNBQJPDTOLHISL-UHFFFAOYSA-N -1 1 381.435 1.633 20 5 GDBDMM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1=O ZINC000192858706 530975109 /nfs/dbraw/zinc/97/51/09/530975109.db2.gz BBKYDWXYKJGGDI-SECBINFHSA-N -1 1 392.231 1.256 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C1CCOCC1 ZINC000279248418 531422620 /nfs/dbraw/zinc/42/26/20/531422620.db2.gz KYJXJYFMTJMTDK-UHFFFAOYSA-N -1 1 383.195 1.954 20 5 GDBDMM CCCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488853499 531489561 /nfs/dbraw/zinc/48/95/61/531489561.db2.gz FUSGJKXNUSNPSC-UHFFFAOYSA-N -1 1 380.220 1.162 20 5 GDBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[C@H](OC)C1 ZINC000574091032 531994061 /nfs/dbraw/zinc/99/40/61/531994061.db2.gz FSCGZSHFPQKKHK-OUJBWJOFSA-N -1 1 392.455 1.681 20 5 GDBDMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000428400542 532205339 /nfs/dbraw/zinc/20/53/39/532205339.db2.gz PKGMCWATBTWFLA-LLVKDONJSA-N -1 1 385.423 1.504 20 5 GDBDMM C[S@@](=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000432209774 532280377 /nfs/dbraw/zinc/28/03/77/532280377.db2.gz FYFZVIYDOTXJMG-XMMPIXPASA-N -1 1 384.391 1.831 20 5 GDBDMM C[C@]1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCOC1=O ZINC000289564951 532328335 /nfs/dbraw/zinc/32/83/35/532328335.db2.gz NYBYFOSUULYGOH-NSHDSACASA-N -1 1 379.188 1.341 20 5 GDBDMM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289622845 532329683 /nfs/dbraw/zinc/32/96/83/532329683.db2.gz YAAUPOXZKCSGEI-VIFPVBQESA-N -1 1 382.225 1.849 20 5 GDBDMM O=C1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C2(CCC2)N1 ZINC000289944811 532334476 /nfs/dbraw/zinc/33/44/76/532334476.db2.gz SDVSGDCLMUBMFY-LBPRGKRZSA-N -1 1 391.808 1.867 20 5 GDBDMM Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cccc1[N+](=O)[O-] ZINC000737218488 599139086 /nfs/dbraw/zinc/13/90/86/599139086.db2.gz JRPMMJRUUBNCCY-JTQLQIEISA-N -1 1 397.351 1.662 20 5 GDBDMM Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cccc1[N+](=O)[O-] ZINC000737218488 599139089 /nfs/dbraw/zinc/13/90/89/599139089.db2.gz JRPMMJRUUBNCCY-JTQLQIEISA-N -1 1 397.351 1.662 20 5 GDBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000821601399 599142021 /nfs/dbraw/zinc/14/20/21/599142021.db2.gz FLVAJXCLXNONFR-UHFFFAOYSA-N -1 1 388.348 1.057 20 5 GDBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000821601399 599142023 /nfs/dbraw/zinc/14/20/23/599142023.db2.gz FLVAJXCLXNONFR-UHFFFAOYSA-N -1 1 388.348 1.057 20 5 GDBDMM Cc1ccc(NC(=O)c2ccc(-n3cnc(-c4nn[n-]n4)n3)c([N+](=O)[O-])c2)cc1 ZINC000737360108 598456389 /nfs/dbraw/zinc/45/63/89/598456389.db2.gz MLMUYRGYKOQOHT-UHFFFAOYSA-N -1 1 391.351 1.916 20 5 GDBDMM C[C@@H](CO)[C@@H](C)Nc1cc(N[C@@H](C)[C@H](C)CO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820281297 599568460 /nfs/dbraw/zinc/56/84/60/599568460.db2.gz VBRIVZJMJQXVJQ-NOOOWODRSA-N -1 1 393.448 1.633 20 5 GDBDMM C[C@@H](CO)[C@@H](C)Nc1cc(N[C@@H](C)[C@H](C)CO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820281297 599568463 /nfs/dbraw/zinc/56/84/63/599568463.db2.gz VBRIVZJMJQXVJQ-NOOOWODRSA-N -1 1 393.448 1.633 20 5 GDBDMM CS[C@H]1CCCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821956583 607391103 /nfs/dbraw/zinc/39/11/03/607391103.db2.gz RWYGSVBNHUINHY-JTQLQIEISA-N -1 1 398.470 1.681 20 5 GDBDMM C[C@@H](NC(=O)c1ccc(N2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655511 600207249 /nfs/dbraw/zinc/20/72/49/600207249.db2.gz DQKWCFFICAQFLE-LLVKDONJSA-N -1 1 387.396 1.905 20 5 GDBDMM C[C@@H](NC(=O)c1ccc(N2CCN3CCCC[C@@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657446 600431916 /nfs/dbraw/zinc/43/19/16/600431916.db2.gz SCGLIMDUHYTJAF-TZMCWYRMSA-N -1 1 376.413 1.472 20 5 GDBDMM O=C([O-])CCCc1nnc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000739711744 600539917 /nfs/dbraw/zinc/53/99/17/600539917.db2.gz QRUAXRSXVPOVDS-UHFFFAOYSA-N -1 1 380.338 1.835 20 5 GDBDMM C[C@](O)(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000574697272 600760403 /nfs/dbraw/zinc/76/04/03/600760403.db2.gz MZMDDQFAKLSBDT-AWEZNQCLSA-N -1 1 377.319 1.571 20 5 GDBDMM Cc1nc([C@@H]2CN(c3c(C(=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000832991991 601213970 /nfs/dbraw/zinc/21/39/70/601213970.db2.gz UMGKCPRCMSFUAA-NSHDSACASA-N -1 1 378.301 1.206 20 5 GDBDMM O=C([O-])NC1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000740548138 601987799 /nfs/dbraw/zinc/98/77/99/601987799.db2.gz NLMGITZAACKETN-UHFFFAOYSA-N -1 1 375.378 1.983 20 5 GDBDMM COc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000826217686 607575345 /nfs/dbraw/zinc/57/53/45/607575345.db2.gz XWXJZONDQHNIAX-UHFFFAOYSA-N -1 1 377.338 1.551 20 5 GDBDMM COc1cc(C)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826178245 607575405 /nfs/dbraw/zinc/57/54/05/607575405.db2.gz POHQDRTYZLVGMD-UHFFFAOYSA-N -1 1 391.365 1.860 20 5 GDBDMM O=[N+]([O-])c1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826499255 607599693 /nfs/dbraw/zinc/59/96/93/607599693.db2.gz BFSPIOGBHXZQKH-UHFFFAOYSA-N -1 1 378.345 1.393 20 5 GDBDMM O=[N+]([O-])c1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826499255 607599694 /nfs/dbraw/zinc/59/96/94/607599694.db2.gz BFSPIOGBHXZQKH-UHFFFAOYSA-N -1 1 378.345 1.393 20 5 GDBDMM CN(CCc1ccncc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825946326 607600651 /nfs/dbraw/zinc/60/06/51/607600651.db2.gz SMQBRBQQCXCBJH-UHFFFAOYSA-N -1 1 389.397 1.033 20 5 GDBDMM C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824875243 607639509 /nfs/dbraw/zinc/63/95/09/607639509.db2.gz JZUCONFCQLSBEC-URLYPYJESA-N -1 1 380.430 1.878 20 5 GDBDMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000826294833 607716252 /nfs/dbraw/zinc/71/62/52/607716252.db2.gz FRTLYVGUWFGNCI-UHFFFAOYSA-N -1 1 391.347 1.676 20 5 GDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833623920 605164919 /nfs/dbraw/zinc/16/49/19/605164919.db2.gz HABUXJHGWWCHDD-CYBMUJFWSA-N -1 1 387.396 1.402 20 5 GDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000833625421 605166412 /nfs/dbraw/zinc/16/64/12/605166412.db2.gz LOPWHRDYTJWRDX-AWEZNQCLSA-N -1 1 390.440 1.816 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2c(cnn2-c2ccccc2)C1 ZINC000823620696 606698773 /nfs/dbraw/zinc/69/87/73/606698773.db2.gz ONIHDIXWTRJNCB-UHFFFAOYSA-N -1 1 389.379 1.918 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2c(cnn2-c2ccccc2)C1 ZINC000823620696 606698775 /nfs/dbraw/zinc/69/87/75/606698775.db2.gz ONIHDIXWTRJNCB-UHFFFAOYSA-N -1 1 389.379 1.918 20 5 GDBDMM CN(CCCNC(=O)OC(C)(C)C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821599299 606711344 /nfs/dbraw/zinc/71/13/44/606711344.db2.gz NUQMEDJYVYHQRU-UHFFFAOYSA-N -1 1 378.393 1.521 20 5 GDBDMM CN(CCCNC(=O)OC(C)(C)C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821599299 606711346 /nfs/dbraw/zinc/71/13/46/606711346.db2.gz NUQMEDJYVYHQRU-UHFFFAOYSA-N -1 1 378.393 1.521 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCn2c(nnc2-c2ccccc2)C1 ZINC000823620784 606714041 /nfs/dbraw/zinc/71/40/41/606714041.db2.gz QEEMOYJZJWRWPM-UHFFFAOYSA-N -1 1 390.367 1.449 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCn2c(nnc2-c2ccccc2)C1 ZINC000823620784 606714042 /nfs/dbraw/zinc/71/40/42/606714042.db2.gz QEEMOYJZJWRWPM-UHFFFAOYSA-N -1 1 390.367 1.449 20 5 GDBDMM COc1ccccc1N1CC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821897867 606719973 /nfs/dbraw/zinc/71/99/73/606719973.db2.gz LBBPXBPZORFWCW-NSHDSACASA-N -1 1 382.384 1.869 20 5 GDBDMM COc1ccccc1N1CC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821897867 606719975 /nfs/dbraw/zinc/71/99/75/606719975.db2.gz LBBPXBPZORFWCW-NSHDSACASA-N -1 1 382.384 1.869 20 5 GDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000822619593 606836644 /nfs/dbraw/zinc/83/66/44/606836644.db2.gz AYSBWWBYNHGOJG-UHFFFAOYSA-N -1 1 377.752 1.484 20 5 GDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000822619593 606836645 /nfs/dbraw/zinc/83/66/45/606836645.db2.gz AYSBWWBYNHGOJG-UHFFFAOYSA-N -1 1 377.752 1.484 20 5 GDBDMM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820926427 607104339 /nfs/dbraw/zinc/10/43/39/607104339.db2.gz TXGRPMDDSFBBHT-ZETCQYMHSA-N -1 1 392.405 1.103 20 5 GDBDMM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820926427 607104341 /nfs/dbraw/zinc/10/43/41/607104341.db2.gz TXGRPMDDSFBBHT-ZETCQYMHSA-N -1 1 392.405 1.103 20 5 GDBDMM Cc1cccc(C)c1NC(=O)CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822293589 607162932 /nfs/dbraw/zinc/16/29/32/607162932.db2.gz CYUGKMCDKNMVHB-UHFFFAOYSA-N -1 1 382.384 1.862 20 5 GDBDMM Cc1cccc(C)c1NC(=O)CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822293589 607162933 /nfs/dbraw/zinc/16/29/33/607162933.db2.gz CYUGKMCDKNMVHB-UHFFFAOYSA-N -1 1 382.384 1.862 20 5 GDBDMM Cc1cc(C)n(C[C@H]2CN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CCO2)n1 ZINC000826265346 607842053 /nfs/dbraw/zinc/84/20/53/607842053.db2.gz VPEMSVUHRPCBQY-CQSZACIVSA-N -1 1 384.400 1.494 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCC(F)(F)CC2)c1-c1nn[n-]n1 ZINC000826499916 608057013 /nfs/dbraw/zinc/05/70/13/608057013.db2.gz DWPPNEAPQVOQSG-UHFFFAOYSA-N -1 1 388.356 1.631 20 5 GDBDMM Cc1ccncc1[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826315844 608157828 /nfs/dbraw/zinc/15/78/28/608157828.db2.gz WEPODXVOQQXCJS-SNVBAGLBSA-N -1 1 389.397 1.518 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])n1 ZINC000533700755 650211816 /nfs/dbraw/zinc/21/18/16/650211816.db2.gz WSPPSORVKHWUJL-ZZDSUILFSA-N -1 1 386.455 1.588 20 5 GDBDMM CN(C)C(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000537021470 650286120 /nfs/dbraw/zinc/28/61/20/650286120.db2.gz XXHYGTPBXZASSD-CABZTGNLSA-N -1 1 391.833 1.162 20 5 GDBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3n[nH]c(C(N)=O)c3c2)s1 ZINC000543046296 650417316 /nfs/dbraw/zinc/41/73/16/650417316.db2.gz JKIHLOSZVIYCFF-UHFFFAOYSA-N -1 1 381.395 1.779 20 5 GDBDMM O=C([O-])C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000556773706 650711145 /nfs/dbraw/zinc/71/11/45/650711145.db2.gz LHSQTZBYKFXXFE-LURJTMIESA-N -1 1 376.334 1.978 20 5 GDBDMM O=[N+]([O-])c1cc(I)cc(CS(=O)(=O)c2ncn[n-]2)c1 ZINC000564261231 650753542 /nfs/dbraw/zinc/75/35/42/650753542.db2.gz LRYOFJYUSJFSHB-UHFFFAOYSA-N -1 1 394.150 1.291 20 5 GDBDMM O=[N+]([O-])c1cc(I)cc(CS(=O)(=O)c2nc[n-]n2)c1 ZINC000564261231 650753543 /nfs/dbraw/zinc/75/35/43/650753543.db2.gz LRYOFJYUSJFSHB-UHFFFAOYSA-N -1 1 394.150 1.291 20 5 GDBDMM CC[S@](=O)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000134727974 644760940 /nfs/dbraw/zinc/76/09/40/644760940.db2.gz GOZBTOQXNTXSBP-LJQANCHMSA-N -1 1 385.261 1.404 20 5 GDBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CS1(=O)=O ZINC000594848614 652378428 /nfs/dbraw/zinc/37/84/28/652378428.db2.gz GONDDLVRHPSWBV-RKDXNWHRSA-N -1 1 382.847 1.492 20 5 GDBDMM CCn1cc(S(=O)(=O)NC[C@H](CCC(=O)[O-])C(F)(F)F)c([N+](=O)[O-])n1 ZINC000596035297 652435488 /nfs/dbraw/zinc/43/54/88/652435488.db2.gz LTLLNURUOMWXSW-ZETCQYMHSA-N -1 1 388.324 1.133 20 5 GDBDMM CCn1cc(S(=O)(=O)NC[C@@H](CCC(=O)[O-])C(F)(F)F)c([N+](=O)[O-])n1 ZINC000596035296 652435601 /nfs/dbraw/zinc/43/56/01/652435601.db2.gz LTLLNURUOMWXSW-SSDOTTSWSA-N -1 1 388.324 1.133 20 5 GDBDMM COC(=O)C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCOC1 ZINC000770302866 654508910 /nfs/dbraw/zinc/50/89/10/654508910.db2.gz VHZPNNBOELNICM-CQSZACIVSA-N -1 1 392.817 1.639 20 5 GDBDMM CCCOC(=O)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000748672223 654809677 /nfs/dbraw/zinc/80/96/77/654809677.db2.gz QVJXHJQTUIQYDR-UHFFFAOYSA-N -1 1 395.231 1.979 20 5 GDBDMM NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725828939 654843078 /nfs/dbraw/zinc/84/30/78/654843078.db2.gz NYPCHVWPADHPHB-GFCCVEGCSA-N -1 1 383.813 1.623 20 5 GDBDMM CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832066641 655008223 /nfs/dbraw/zinc/00/82/23/655008223.db2.gz LHRNPZOCGRMXTO-QPUJVOFHSA-N -1 1 382.797 1.717 20 5 GDBDMM NC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1 ZINC000809824871 655138729 /nfs/dbraw/zinc/13/87/29/655138729.db2.gz IGUYZQPHGZTHQV-UHFFFAOYSA-N -1 1 388.764 1.360 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CO)C2CCOCC2)c(Cl)cc1Cl ZINC000809842084 655141647 /nfs/dbraw/zinc/14/16/47/655141647.db2.gz AKFMIYZEJHBXFJ-LLVKDONJSA-N -1 1 399.252 1.967 20 5 GDBDMM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000795370180 655173452 /nfs/dbraw/zinc/17/34/52/655173452.db2.gz NIMAGDDCXZTPMO-UHFFFAOYSA-N -1 1 375.834 1.928 20 5 GDBDMM 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C[C@@H](Nc1cc(N[C@@H](C)[C@H](C)CO)cc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@H](C)CO ZINC000820281301 599568365 /nfs/dbraw/zinc/56/83/65/599568365.db2.gz VBRIVZJMJQXVJQ-WISYIIOYSA-N -1 1 393.448 1.633 20 5 GDBDMM C[C@@H](Nc1cc(N[C@@H](C)[C@H](C)CO)cc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@H](C)CO ZINC000820281301 599568368 /nfs/dbraw/zinc/56/83/68/599568368.db2.gz VBRIVZJMJQXVJQ-WISYIIOYSA-N -1 1 393.448 1.633 20 5 GDBDMM O=C([O-])C[C@H]1CCCCN1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000739640159 599838920 /nfs/dbraw/zinc/83/89/20/599838920.db2.gz RIKJFDGDPZRSCU-GFCCVEGCSA-N -1 1 376.369 1.650 20 5 GDBDMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000484541437 600688982 /nfs/dbraw/zinc/68/89/82/600688982.db2.gz GBBKJNLFCIAVRF-UHFFFAOYSA-N -1 1 380.334 1.880 20 5 GDBDMM O=C([O-])[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000833165287 600751863 /nfs/dbraw/zinc/75/18/63/600751863.db2.gz HZVBVQXDHFVXHJ-HNNXBMFYSA-N -1 1 397.384 1.428 20 5 GDBDMM CC[C@@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000829163592 600812935 /nfs/dbraw/zinc/81/29/35/600812935.db2.gz YAXAMEAAEPFHTO-GHMZBOCLSA-N -1 1 382.373 1.483 20 5 GDBDMM Cc1cc(N2CCN(C[C@H]3CN(C)CCO3)C[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890703 602317239 /nfs/dbraw/zinc/31/72/39/602317239.db2.gz AUONLQAIVHGCOW-GDBMZVCRSA-N -1 1 392.456 1.443 20 5 GDBDMM CC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1 ZINC000824029664 607571540 /nfs/dbraw/zinc/57/15/40/607571540.db2.gz PGDIQWQWIYAQFL-UHFFFAOYSA-N -1 1 389.349 1.745 20 5 GDBDMM Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826292986 607580596 /nfs/dbraw/zinc/58/05/96/607580596.db2.gz WFEZFUGIMQAWHG-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826292986 607580597 /nfs/dbraw/zinc/58/05/97/607580597.db2.gz WFEZFUGIMQAWHG-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000824640534 607591369 /nfs/dbraw/zinc/59/13/69/607591369.db2.gz KKAAVVDWROUMFU-SECBINFHSA-N -1 1 392.372 1.954 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCc2ccccn2)c1-c1nn[n-]n1 ZINC000826500030 607679689 /nfs/dbraw/zinc/67/96/89/607679689.db2.gz IULCHMCFQNDMJF-UHFFFAOYSA-N -1 1 389.397 1.081 20 5 GDBDMM CS(=O)(=O)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821937614 606697930 /nfs/dbraw/zinc/69/79/30/606697930.db2.gz OFMUSWOBNGMMON-UHFFFAOYSA-N -1 1 375.370 1.186 20 5 GDBDMM CS(=O)(=O)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821937614 606697931 /nfs/dbraw/zinc/69/79/31/606697931.db2.gz OFMUSWOBNGMMON-UHFFFAOYSA-N -1 1 375.370 1.186 20 5 GDBDMM O=C1OCCN1c1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000823551373 606699857 /nfs/dbraw/zinc/69/98/57/606699857.db2.gz OENHCFGPEFKUCO-UHFFFAOYSA-N -1 1 382.340 1.739 20 5 GDBDMM O=C1OCCN1c1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000823551373 606699859 /nfs/dbraw/zinc/69/98/59/606699859.db2.gz OENHCFGPEFKUCO-UHFFFAOYSA-N -1 1 382.340 1.739 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000823620812 606709305 /nfs/dbraw/zinc/70/93/05/606709305.db2.gz QPNIEIWPPBLJOJ-JTQLQIEISA-N -1 1 382.388 1.092 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000823620812 606709307 /nfs/dbraw/zinc/70/93/07/606709307.db2.gz QPNIEIWPPBLJOJ-JTQLQIEISA-N -1 1 382.388 1.092 20 5 GDBDMM CCc1cc(N2CCC[C@H](Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)ncn1 ZINC000821470195 606710108 /nfs/dbraw/zinc/71/01/08/606710108.db2.gz NTNSRKQCTFENAY-LBPRGKRZSA-N -1 1 396.415 1.603 20 5 GDBDMM CCc1cc(N2CCC[C@H](Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)ncn1 ZINC000821470195 606710109 /nfs/dbraw/zinc/71/01/09/606710109.db2.gz NTNSRKQCTFENAY-LBPRGKRZSA-N -1 1 396.415 1.603 20 5 GDBDMM CCc1cnc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)s1 ZINC000821499166 606713256 /nfs/dbraw/zinc/71/32/56/606713256.db2.gz DYLMBANAFFWEFH-UHFFFAOYSA-N -1 1 387.429 1.515 20 5 GDBDMM CCc1cnc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)s1 ZINC000821499166 606713257 /nfs/dbraw/zinc/71/32/57/606713257.db2.gz DYLMBANAFFWEFH-UHFFFAOYSA-N -1 1 387.429 1.515 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000823619828 606719989 /nfs/dbraw/zinc/71/99/89/606719989.db2.gz BTIQZAHCJDLNPX-SECBINFHSA-N -1 1 387.791 1.909 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000823619828 606719991 /nfs/dbraw/zinc/71/99/91/606719991.db2.gz BTIQZAHCJDLNPX-SECBINFHSA-N -1 1 387.791 1.909 20 5 GDBDMM Cc1ccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)o1 ZINC000822237076 606730978 /nfs/dbraw/zinc/73/09/78/606730978.db2.gz DCSIMGGLMWMKNO-UHFFFAOYSA-N -1 1 378.370 1.497 20 5 GDBDMM Cc1occc1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822554137 606733765 /nfs/dbraw/zinc/73/37/65/606733765.db2.gz VAEPKJHWRGNTDR-UHFFFAOYSA-N -1 1 378.370 1.497 20 5 GDBDMM Cc1ncsc1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822481742 606735778 /nfs/dbraw/zinc/73/57/78/606735778.db2.gz DLKSFPHWBHBPHI-UHFFFAOYSA-N -1 1 395.426 1.361 20 5 GDBDMM CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCS1 ZINC000820995492 606736164 /nfs/dbraw/zinc/73/61/64/606736164.db2.gz SJCLITCIJKBGJJ-VIFPVBQESA-N -1 1 384.443 1.291 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000823648435 606737222 /nfs/dbraw/zinc/73/72/22/606737222.db2.gz WYHINXBALMEDDW-PHIMTYICSA-N -1 1 378.414 1.586 20 5 GDBDMM CCOc1ccccc1N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821436473 607160917 /nfs/dbraw/zinc/16/09/17/607160917.db2.gz AAEKVNKNZHGQEQ-UHFFFAOYSA-N -1 1 396.411 1.895 20 5 GDBDMM CCOc1ccccc1N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821436473 607160919 /nfs/dbraw/zinc/16/09/19/607160919.db2.gz AAEKVNKNZHGQEQ-UHFFFAOYSA-N -1 1 396.411 1.895 20 5 GDBDMM O=C(c1ccccc1)N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823493195 607165407 /nfs/dbraw/zinc/16/54/07/607165407.db2.gz HVBGWSLEFTXAHM-UHFFFAOYSA-N -1 1 394.395 1.887 20 5 GDBDMM O=C(c1ccccc1)N1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823493195 607165408 /nfs/dbraw/zinc/16/54/08/607165408.db2.gz HVBGWSLEFTXAHM-UHFFFAOYSA-N -1 1 394.395 1.887 20 5 GDBDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000822541946 607193631 /nfs/dbraw/zinc/19/36/31/607193631.db2.gz RPFICSJQSIDVAS-UHFFFAOYSA-N -1 1 397.355 1.094 20 5 GDBDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000822541946 607193632 /nfs/dbraw/zinc/19/36/32/607193632.db2.gz RPFICSJQSIDVAS-UHFFFAOYSA-N -1 1 397.355 1.094 20 5 GDBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820506498 607204933 /nfs/dbraw/zinc/20/49/33/607204933.db2.gz AYNDGESIDCNAMR-VIFPVBQESA-N -1 1 398.335 1.665 20 5 GDBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826272599 607866811 /nfs/dbraw/zinc/86/68/11/607866811.db2.gz ROZSAWDMJCHDLE-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826272599 607866812 /nfs/dbraw/zinc/86/68/12/607866812.db2.gz ROZSAWDMJCHDLE-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826293717 607867725 /nfs/dbraw/zinc/86/77/25/607867725.db2.gz ZDINTFOCPROXKP-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826293717 607867726 /nfs/dbraw/zinc/86/77/26/607867726.db2.gz ZDINTFOCPROXKP-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM O=Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c(F)c1 ZINC000826484266 607908012 /nfs/dbraw/zinc/90/80/12/607908012.db2.gz VVBZSJKUNHULDN-UHFFFAOYSA-N -1 1 393.312 1.494 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC23CCC(CC2)C3)c1-c1nn[n-]n1 ZINC000826499936 607938900 /nfs/dbraw/zinc/93/89/00/607938900.db2.gz FHRFCZAUBRAFAF-UHFFFAOYSA-N -1 1 378.414 1.634 20 5 GDBDMM O=C1C[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000826479158 607969260 /nfs/dbraw/zinc/96/92/60/607969260.db2.gz RTKFUKZKIIGCDB-CYBMUJFWSA-N -1 1 394.395 1.631 20 5 GDBDMM O=C1C[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000826479158 607969261 /nfs/dbraw/zinc/96/92/61/607969261.db2.gz RTKFUKZKIIGCDB-CYBMUJFWSA-N -1 1 394.395 1.631 20 5 GDBDMM C[C@@H]1C[C@@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824884343 608125096 /nfs/dbraw/zinc/12/50/96/608125096.db2.gz NNUVOHHWPONDAN-MNOVXSKESA-N -1 1 396.429 1.258 20 5 GDBDMM C[C@H]1C[C@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824884345 608125300 /nfs/dbraw/zinc/12/53/00/608125300.db2.gz NNUVOHHWPONDAN-WDEREUQCSA-N -1 1 396.429 1.258 20 5 GDBDMM C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC12CCC2 ZINC000824962311 608155394 /nfs/dbraw/zinc/15/53/94/608155394.db2.gz SGWFAPYCEJMVCO-LLVKDONJSA-N -1 1 392.441 1.976 20 5 GDBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826498094 608173265 /nfs/dbraw/zinc/17/32/65/608173265.db2.gz HMTXUPXJFCKHHQ-WCBMZHEXSA-N -1 1 397.804 1.391 20 5 GDBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826498094 608173267 /nfs/dbraw/zinc/17/32/67/608173267.db2.gz HMTXUPXJFCKHHQ-WCBMZHEXSA-N -1 1 397.804 1.391 20 5 GDBDMM CC(C)[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824214976 608248727 /nfs/dbraw/zinc/24/87/27/608248727.db2.gz IZRHSHCCUUAJMC-CMPLNLGQSA-N -1 1 396.429 1.257 20 5 GDBDMM COc1cc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c([N+](=O)[O-])cc1OC ZINC000826180714 608375292 /nfs/dbraw/zinc/37/52/92/608375292.db2.gz TWNNWOPJUVOXJF-UHFFFAOYSA-N -1 1 389.376 1.142 20 5 GDBDMM COc1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c([N+](=O)[O-])cc1OC ZINC000826180714 608375294 /nfs/dbraw/zinc/37/52/94/608375294.db2.gz TWNNWOPJUVOXJF-UHFFFAOYSA-N -1 1 389.376 1.142 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)C(C)C)c([N+](=O)[O-])n1 ZINC000532854896 650036590 /nfs/dbraw/zinc/03/65/90/650036590.db2.gz YQBGSTQXFSADRP-LLVKDONJSA-N -1 1 376.435 1.456 20 5 GDBDMM CS(=O)(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000533797284 650213910 /nfs/dbraw/zinc/21/39/10/650213910.db2.gz DPBLBZMXUBUTHK-LLVKDONJSA-N -1 1 390.464 1.721 20 5 GDBDMM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000128432939 644729464 /nfs/dbraw/zinc/72/94/64/644729464.db2.gz YNEMTBOQPKYYCJ-QWRGUYRKSA-N -1 1 379.232 1.795 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1nc[nH]n1 ZINC000128947860 644732362 /nfs/dbraw/zinc/73/23/62/644732362.db2.gz YPZPOXRRCUEZAF-ZCFIWIBFSA-N -1 1 376.192 1.515 20 5 GDBDMM CC(C)CN1CCO[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000170660608 644870786 /nfs/dbraw/zinc/87/07/86/644870786.db2.gz HCATUJMITDOUIP-ZDUSSCGKSA-N -1 1 391.877 1.883 20 5 GDBDMM CCN(CCO)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000469395626 647709474 /nfs/dbraw/zinc/70/94/74/647709474.db2.gz NCVGXKXYGRDHTQ-UHFFFAOYSA-N -1 1 386.257 1.494 20 5 GDBDMM NC(=O)[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000510677023 648335956 /nfs/dbraw/zinc/33/59/56/648335956.db2.gz BHIDZSOJBOGWIO-SNVBAGLBSA-N -1 1 389.842 1.685 20 5 GDBDMM O=C(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Nc1ccc(Br)cc1 ZINC000516007987 648509517 /nfs/dbraw/zinc/50/95/17/648509517.db2.gz FCLRQYYIIHRZKK-UHFFFAOYSA-N -1 1 395.169 1.826 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)c([N+](=O)[O-])n1 ZINC000576962404 651697304 /nfs/dbraw/zinc/69/73/04/651697304.db2.gz BFEHYVAMCLPYGE-UHFFFAOYSA-N -1 1 382.427 1.741 20 5 GDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1cc(C(F)(F)F)ccn1 ZINC000580576359 651927278 /nfs/dbraw/zinc/92/72/78/651927278.db2.gz PTSKFXZSDNDKDG-UHFFFAOYSA-N -1 1 376.316 1.925 20 5 GDBDMM O=C1CCCN1CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593639601 652230004 /nfs/dbraw/zinc/23/00/04/652230004.db2.gz SLOZOGXHFRTWSY-UHFFFAOYSA-N -1 1 392.231 1.258 20 5 GDBDMM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cccnc1 ZINC000609227597 652838802 /nfs/dbraw/zinc/83/88/02/652838802.db2.gz OUBVOFUOEKPCKY-UHFFFAOYSA-N -1 1 384.801 1.950 20 5 GDBDMM Cn1ccc(CC[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000612799668 652944867 /nfs/dbraw/zinc/94/48/67/652944867.db2.gz XXUKIQKKLJRGMF-UHFFFAOYSA-N -1 1 389.231 1.612 20 5 GDBDMM CN(C)Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000775058917 654652278 /nfs/dbraw/zinc/65/22/78/654652278.db2.gz XVFMJQXPWMBKKZ-UHFFFAOYSA-N -1 1 384.439 1.618 20 5 GDBDMM CS(=O)(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740896867 654676279 /nfs/dbraw/zinc/67/62/79/654676279.db2.gz GTBRDIRGIMLYGJ-GHMZBOCLSA-N -1 1 396.874 1.882 20 5 GDBDMM O=C([O-])[C@@H](CC1CCOCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000776598872 654698407 /nfs/dbraw/zinc/69/84/07/654698407.db2.gz FVJXBTGAKULGHH-LLVKDONJSA-N -1 1 376.362 1.282 20 5 GDBDMM 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NC(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)O1 ZINC000296294345 531677930 /nfs/dbraw/zinc/67/79/30/531677930.db2.gz NHPPQUWXZFGIDL-MUWHJKNJSA-N -1 1 398.224 1.213 20 5 GDBDMM CCc1nc(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 ZINC000296532090 531700241 /nfs/dbraw/zinc/70/02/41/531700241.db2.gz AQEHHBGMPQCXDW-UHFFFAOYSA-N -1 1 390.219 1.516 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)NCCF ZINC000282203842 531719725 /nfs/dbraw/zinc/71/97/25/531719725.db2.gz GASUDERVGHLZPB-ZETCQYMHSA-N -1 1 398.210 1.110 20 5 GDBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[C@@H](OC)C1 ZINC000574091028 531994545 /nfs/dbraw/zinc/99/45/45/531994545.db2.gz FSCGZSHFPQKKHK-GIPNMCIBSA-N -1 1 392.455 1.681 20 5 GDBDMM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)n(C)n1 ZINC000375946039 532190087 /nfs/dbraw/zinc/19/00/87/532190087.db2.gz GBDHMNDPSJNXFY-NSHDSACASA-N -1 1 385.471 1.646 20 5 GDBDMM O=C([O-])[C@@H]1[C@H]2CCC[N@H+]2CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377152185 532244574 /nfs/dbraw/zinc/24/45/74/532244574.db2.gz OIMHSWOMACEHEK-MFKMUULPSA-N -1 1 389.817 1.170 20 5 GDBDMM O=C([O-])[C@@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377152185 532244576 /nfs/dbraw/zinc/24/45/76/532244576.db2.gz OIMHSWOMACEHEK-MFKMUULPSA-N -1 1 389.817 1.170 20 5 GDBDMM CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289296720 532321052 /nfs/dbraw/zinc/32/10/52/532321052.db2.gz HSNUYTWZSDONQF-UHFFFAOYSA-N -1 1 381.813 1.828 20 5 GDBDMM O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738144470 598985550 /nfs/dbraw/zinc/98/55/50/598985550.db2.gz MCNLBSCEECCBSX-UHFFFAOYSA-N -1 1 383.324 1.584 20 5 GDBDMM O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738144470 598985552 /nfs/dbraw/zinc/98/55/52/598985552.db2.gz MCNLBSCEECCBSX-UHFFFAOYSA-N -1 1 383.324 1.584 20 5 GDBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000738368057 598694565 /nfs/dbraw/zinc/69/45/65/598694565.db2.gz ZOJGAPQCUDQCAU-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(-c3nn[nH]n3)ccc2F)s1 ZINC000823643821 599366612 /nfs/dbraw/zinc/36/66/12/599366612.db2.gz CCYCOLJTGSCOQW-UHFFFAOYSA-N -1 1 384.374 1.454 20 5 GDBDMM C[C@H](CO)[C@H](C)Nc1cc(N[C@@H](C)[C@H](C)CO)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000820281303 599568117 /nfs/dbraw/zinc/56/81/17/599568117.db2.gz VBRIVZJMJQXVJQ-WYUUTHIRSA-N -1 1 393.448 1.633 20 5 GDBDMM C[C@H](CO)[C@H](C)Nc1cc(N[C@@H](C)[C@H](C)CO)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000820281303 599568120 /nfs/dbraw/zinc/56/81/20/599568120.db2.gz VBRIVZJMJQXVJQ-WYUUTHIRSA-N -1 1 393.448 1.633 20 5 GDBDMM COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000832241182 600697043 /nfs/dbraw/zinc/69/70/43/600697043.db2.gz MAHAKXMHBRLRNR-LBPRGKRZSA-N -1 1 381.366 1.493 20 5 GDBDMM Cn1cc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1C(=O)[O-] ZINC000833052779 601783902 /nfs/dbraw/zinc/78/39/02/601783902.db2.gz ILSQGOKXDJTQBF-UHFFFAOYSA-N -1 1 383.338 1.204 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826499860 607576318 /nfs/dbraw/zinc/57/63/18/607576318.db2.gz BDCMGBXAGPETTF-UHFFFAOYSA-N -1 1 378.345 1.393 20 5 GDBDMM C[C@H](CCc1ccco1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824412677 607578081 /nfs/dbraw/zinc/57/80/81/607578081.db2.gz DKIKOUYCVVVHJH-SNVBAGLBSA-N -1 1 392.397 1.668 20 5 GDBDMM CC(C)CCN(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824249184 607583434 /nfs/dbraw/zinc/58/34/34/607583434.db2.gz JVSNPNDRYYBHAT-UHFFFAOYSA-N -1 1 380.430 1.974 20 5 GDBDMM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826500371 607591766 /nfs/dbraw/zinc/59/17/66/607591766.db2.gz WAMVRGFQXOJVJX-UHFFFAOYSA-N -1 1 378.345 1.393 20 5 GDBDMM C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824925220 607595443 /nfs/dbraw/zinc/59/54/43/607595443.db2.gz BUPJMRABQWSUEX-GHMZBOCLSA-N -1 1 380.430 1.880 20 5 GDBDMM C[C@H]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824925222 607595695 /nfs/dbraw/zinc/59/56/95/607595695.db2.gz BUPJMRABQWSUEX-QWRGUYRKSA-N -1 1 380.430 1.880 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826500123 607598098 /nfs/dbraw/zinc/59/80/98/607598098.db2.gz MBMWQFNNMRQBRE-UHFFFAOYSA-N -1 1 396.335 1.532 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000826500050 607609017 /nfs/dbraw/zinc/60/90/17/607609017.db2.gz JLJVVSCJDXRXJA-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCOc1cccc([N+](=O)[O-])c1 ZINC000826295239 607718098 /nfs/dbraw/zinc/71/80/98/607718098.db2.gz XZDWRFPSWKELRX-UHFFFAOYSA-N -1 1 393.363 1.872 20 5 GDBDMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000823483923 606512206 /nfs/dbraw/zinc/51/22/06/606512206.db2.gz PBQZFUBXKYSPDA-UHFFFAOYSA-N -1 1 385.409 1.799 20 5 GDBDMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000823483923 606512207 /nfs/dbraw/zinc/51/22/07/606512207.db2.gz PBQZFUBXKYSPDA-UHFFFAOYSA-N -1 1 385.409 1.799 20 5 GDBDMM CN(CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000821600689 606697826 /nfs/dbraw/zinc/69/78/26/606697826.db2.gz YUAXGPFEGWGPKZ-UHFFFAOYSA-N -1 1 378.393 1.839 20 5 GDBDMM CN(CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000821600689 606697827 /nfs/dbraw/zinc/69/78/27/606697827.db2.gz YUAXGPFEGWGPKZ-UHFFFAOYSA-N -1 1 378.393 1.839 20 5 GDBDMM CN(C[C@H](O)COCc1ccccc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821595381 606709721 /nfs/dbraw/zinc/70/97/21/606709721.db2.gz VWDKIRVIQILEJV-ZDUSSCGKSA-N -1 1 385.384 1.184 20 5 GDBDMM CN(C[C@H](O)COCc1ccccc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821595381 606709722 /nfs/dbraw/zinc/70/97/22/606709722.db2.gz VWDKIRVIQILEJV-ZDUSSCGKSA-N -1 1 385.384 1.184 20 5 GDBDMM NC(=O)C1(c2ccccc2)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822860164 606711086 /nfs/dbraw/zinc/71/10/86/606711086.db2.gz OBLJZOBJBIWDPK-UHFFFAOYSA-N -1 1 394.395 1.193 20 5 GDBDMM NC(=O)C1(c2ccccc2)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822860164 606711088 /nfs/dbraw/zinc/71/10/88/606711088.db2.gz OBLJZOBJBIWDPK-UHFFFAOYSA-N -1 1 394.395 1.193 20 5 GDBDMM CN(CC1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821596433 606731459 /nfs/dbraw/zinc/73/14/59/606731459.db2.gz JXTJUFHTDDTDFX-UHFFFAOYSA-N -1 1 380.430 1.976 20 5 GDBDMM CC[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000820978368 606734239 /nfs/dbraw/zinc/73/42/39/606734239.db2.gz AMRWIBUJPDDMPE-LLVKDONJSA-N -1 1 380.430 1.976 20 5 GDBDMM COCC(=O)Nc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821680174 607167180 /nfs/dbraw/zinc/16/71/80/607167180.db2.gz BGKBKHTWODHBAT-UHFFFAOYSA-N -1 1 384.356 1.367 20 5 GDBDMM 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CC(C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1ccccc1 ZINC000824168309 607598246 /nfs/dbraw/zinc/59/82/46/607598246.db2.gz ZREBRRXWNWHNDN-UHFFFAOYSA-N -1 1 388.409 1.989 20 5 GDBDMM CN(c1ccc(Cl)cn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826004062 607611885 /nfs/dbraw/zinc/61/18/85/607611885.db2.gz GYTZYBGREZRJPJ-UHFFFAOYSA-N -1 1 395.788 1.648 20 5 GDBDMM COc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1C ZINC000826211883 607645451 /nfs/dbraw/zinc/64/54/51/607645451.db2.gz YJMAFMWHQFPPMW-UHFFFAOYSA-N -1 1 391.365 1.860 20 5 GDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000833626166 605092736 /nfs/dbraw/zinc/09/27/36/605092736.db2.gz PAMDNPMTIFPFQQ-SNVBAGLBSA-N -1 1 387.339 1.817 20 5 GDBDMM C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])N1CCC[C@@H](C)C1 ZINC000833613738 605392078 /nfs/dbraw/zinc/39/20/78/605392078.db2.gz HAKYDSBMTMBMNU-NEPJUHHUSA-N -1 1 385.442 1.692 20 5 GDBDMM CN(C[C@H](O)COCc1ccccc1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821595099 606645399 /nfs/dbraw/zinc/64/53/99/606645399.db2.gz MUGPBIFOCJBSCD-HNNXBMFYSA-N -1 1 384.396 1.789 20 5 GDBDMM Cc1cc(C)n(-c2ccc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cn2)n1 ZINC000822197488 606700239 /nfs/dbraw/zinc/70/02/39/606700239.db2.gz CHIRTQYXMUYKSP-UHFFFAOYSA-N -1 1 392.383 1.980 20 5 GDBDMM Cc1cc(C)n(-c2ccc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cn2)n1 ZINC000822197488 606700241 /nfs/dbraw/zinc/70/02/41/606700241.db2.gz CHIRTQYXMUYKSP-UHFFFAOYSA-N -1 1 392.383 1.980 20 5 GDBDMM COc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1N1CCOC1=O ZINC000821837951 606714054 /nfs/dbraw/zinc/71/40/54/606714054.db2.gz IEHXQEOCMVSIJJ-UHFFFAOYSA-N -1 1 398.339 1.879 20 5 GDBDMM COc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1N1CCOC1=O ZINC000821837951 606714055 /nfs/dbraw/zinc/71/40/55/606714055.db2.gz IEHXQEOCMVSIJJ-UHFFFAOYSA-N -1 1 398.339 1.879 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000823620463 606717306 /nfs/dbraw/zinc/71/73/06/606717306.db2.gz LFNSNHNPCULCQF-ZDUSSCGKSA-N -1 1 389.416 1.724 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000823620463 606717308 /nfs/dbraw/zinc/71/73/08/606717308.db2.gz LFNSNHNPCULCQF-ZDUSSCGKSA-N -1 1 389.416 1.724 20 5 GDBDMM C[C@H](c1ccncc1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820570894 606732455 /nfs/dbraw/zinc/73/24/55/606732455.db2.gz SWADWNDYJWXDCF-SNVBAGLBSA-N -1 1 389.397 1.552 20 5 GDBDMM Cc1cccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000822303544 606732848 /nfs/dbraw/zinc/73/28/48/606732848.db2.gz FEMPUKXBJSGCAS-UHFFFAOYSA-N -1 1 388.409 1.904 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000823647970 606733524 /nfs/dbraw/zinc/73/35/24/606733524.db2.gz QUMKKAWGZJYTBH-PWSUYJOCSA-N -1 1 394.413 1.107 20 5 GDBDMM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820926425 607104031 /nfs/dbraw/zinc/10/40/31/607104031.db2.gz TXGRPMDDSFBBHT-SSDOTTSWSA-N -1 1 392.405 1.103 20 5 GDBDMM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820926425 607104032 /nfs/dbraw/zinc/10/40/32/607104032.db2.gz TXGRPMDDSFBBHT-SSDOTTSWSA-N -1 1 392.405 1.103 20 5 GDBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000820461898 607164012 /nfs/dbraw/zinc/16/40/12/607164012.db2.gz SLEGJKPYIBTCNU-SNVBAGLBSA-N -1 1 378.356 1.924 20 5 GDBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000820461898 607164014 /nfs/dbraw/zinc/16/40/14/607164014.db2.gz SLEGJKPYIBTCNU-SNVBAGLBSA-N -1 1 378.356 1.924 20 5 GDBDMM COc1cccc(C(=O)NCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821858316 607166171 /nfs/dbraw/zinc/16/61/71/607166171.db2.gz FEBVAGAOLSGWTH-UHFFFAOYSA-N -1 1 384.356 1.020 20 5 GDBDMM COc1cccc(C(=O)NCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821858316 607166173 /nfs/dbraw/zinc/16/61/73/607166173.db2.gz FEBVAGAOLSGWTH-UHFFFAOYSA-N -1 1 384.356 1.020 20 5 GDBDMM CN(c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000826004014 607841209 /nfs/dbraw/zinc/84/12/09/607841209.db2.gz DYTPAYJXJONWPU-CYBMUJFWSA-N -1 1 381.400 1.670 20 5 GDBDMM Cc1nc(C)n(C[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)C2)n1 ZINC000826324187 607841961 /nfs/dbraw/zinc/84/19/61/607841961.db2.gz HXHCFQNLUQQGKN-CYBMUJFWSA-N -1 1 383.416 1.900 20 5 GDBDMM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826272583 607866886 /nfs/dbraw/zinc/86/68/86/607866886.db2.gz QYTWQZWATCPNAJ-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826211949 607867785 /nfs/dbraw/zinc/86/77/85/607867785.db2.gz BDHPYBVUAHOCQT-UHFFFAOYSA-N -1 1 395.328 1.690 20 5 GDBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826211949 607867786 /nfs/dbraw/zinc/86/77/86/607867786.db2.gz BDHPYBVUAHOCQT-UHFFFAOYSA-N -1 1 395.328 1.690 20 5 GDBDMM Cc1cccc(C=O)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826297554 608562447 /nfs/dbraw/zinc/56/24/47/608562447.db2.gz LGQPYJFAMBAWCH-UHFFFAOYSA-N -1 1 389.349 1.664 20 5 GDBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826473901 608599060 /nfs/dbraw/zinc/59/90/60/608599060.db2.gz SQXVROKSVQHVHT-UHFFFAOYSA-N -1 1 389.397 1.387 20 5 GDBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826473901 608599061 /nfs/dbraw/zinc/59/90/61/608599061.db2.gz SQXVROKSVQHVHT-UHFFFAOYSA-N -1 1 389.397 1.387 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccc(OC)cc2Cl)c([N+](=O)[O-])n1 ZINC000533179128 650045252 /nfs/dbraw/zinc/04/52/52/650045252.db2.gz XBQPXRSACCVWFO-UHFFFAOYSA-N -1 1 388.833 1.994 20 5 GDBDMM C[C@H]1CN(CCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000194339750 645060254 /nfs/dbraw/zinc/06/02/54/645060254.db2.gz LALBWGBLDXMEMZ-RYUDHWBXSA-N -1 1 375.422 1.512 20 5 GDBDMM NC(=O)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOCC1 ZINC000377884155 645850823 /nfs/dbraw/zinc/85/08/23/645850823.db2.gz MQPYPAFLACWBLK-UHFFFAOYSA-N -1 1 398.224 1.214 20 5 GDBDMM CN1CC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000921413057 660298557 /nfs/dbraw/zinc/29/85/57/660298557.db2.gz CCMBXYUBKFLROG-SSDOTTSWSA-N -1 1 382.211 1.479 20 5 GDBDMM O=C1c2ccccc2C(=O)N1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512779429 648415184 /nfs/dbraw/zinc/41/51/84/648415184.db2.gz PTYTZYLCOQKHQW-UHFFFAOYSA-N -1 1 381.391 1.231 20 5 GDBDMM COC(=O)N1CCC[C@@H]([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000773061247 654579607 /nfs/dbraw/zinc/57/96/07/654579607.db2.gz FOXAJCPXQLHBDW-NXEZZACHSA-N -1 1 377.444 1.802 20 5 GDBDMM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1c1ccccc1 ZINC000783535712 654861885 /nfs/dbraw/zinc/86/18/85/654861885.db2.gz GFAPXJGZIHRMTF-GFCCVEGCSA-N -1 1 381.797 1.942 20 5 GDBDMM Cc1c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)c(F)ccc1[N+](=O)[O-] ZINC000800052506 654869805 /nfs/dbraw/zinc/86/98/05/654869805.db2.gz ZUDNUABQNBXQKD-UHFFFAOYSA-N -1 1 389.386 1.642 20 5 GDBDMM O=C(NCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000829768492 654913279 /nfs/dbraw/zinc/91/32/79/654913279.db2.gz WKWKGACSMPOZQM-UHFFFAOYSA-N -1 1 382.225 1.706 20 5 GDBDMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000803637345 654981131 /nfs/dbraw/zinc/98/11/31/654981131.db2.gz KYYNACIMUCUECU-UHFFFAOYSA-N -1 1 383.158 1.236 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000832308925 655026614 /nfs/dbraw/zinc/02/66/14/655026614.db2.gz FPUAGOSNDVBXQD-AOOOYVTPSA-N -1 1 393.824 1.529 20 5 GDBDMM CCCNC(=O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757745254 655043334 /nfs/dbraw/zinc/04/33/34/655043334.db2.gz SQGJMKHDIHISTQ-UHFFFAOYSA-N -1 1 398.210 1.301 20 5 GDBDMM C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791422819 655071393 /nfs/dbraw/zinc/07/13/93/655071393.db2.gz JBQTVUSHMHKFFD-VIFPVBQESA-N -1 1 398.268 1.901 20 5 GDBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C(=O)O1 ZINC000809382611 655127739 /nfs/dbraw/zinc/12/77/39/655127739.db2.gz KLBNSZBRKGTEAA-XPUUQOCRSA-N -1 1 379.188 1.340 20 5 GDBDMM CC1(C)COCCN1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809814792 655137235 /nfs/dbraw/zinc/13/72/35/655137235.db2.gz BLCRVVHAQVGFPU-UHFFFAOYSA-N -1 1 395.840 1.776 20 5 GDBDMM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795938214 655196789 /nfs/dbraw/zinc/19/67/89/655196789.db2.gz SOCXAENWBVDODS-QWRGUYRKSA-N -1 1 397.222 1.934 20 5 GDBDMM Cc1nonc1C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765191904 655233892 /nfs/dbraw/zinc/23/38/92/655233892.db2.gz CTOFQIJBZVUTCN-UHFFFAOYSA-N -1 1 377.176 1.527 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])NC1CCCC1 ZINC000815007297 655277266 /nfs/dbraw/zinc/27/72/66/655277266.db2.gz QWDWQGWTZNXHRX-UHFFFAOYSA-N -1 1 379.797 1.724 20 5 GDBDMM COC(=O)CSCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815011709 655277889 /nfs/dbraw/zinc/27/78/89/655277889.db2.gz XLLBHSTUNWNQSA-UHFFFAOYSA-N -1 1 386.810 1.572 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)C1CCOCC1 ZINC000815017516 655278892 /nfs/dbraw/zinc/27/88/92/655278892.db2.gz NGYHAJQWMPFRIX-GFCCVEGCSA-N -1 1 382.797 1.453 20 5 GDBDMM O=C1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000815032575 655281119 /nfs/dbraw/zinc/28/11/19/655281119.db2.gz VGNOAAGMCFKQKH-QMMMGPOBSA-N -1 1 391.808 1.677 20 5 GDBDMM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)C ZINC000815048177 655283727 /nfs/dbraw/zinc/28/37/27/655283727.db2.gz LOPXIYJMQGYEAD-LBPRGKRZSA-N -1 1 381.813 1.826 20 5 GDBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nncn1C ZINC000840951799 655305929 /nfs/dbraw/zinc/30/59/29/655305929.db2.gz BEZJYXULQSJWMG-SSDOTTSWSA-N -1 1 377.785 1.598 20 5 GDBDMM NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000817141241 655344030 /nfs/dbraw/zinc/34/40/30/655344030.db2.gz JVEWAOTWXXVDEB-MGCOHNPYSA-N -1 1 375.834 1.818 20 5 GDBDMM CN(C)C(=O)C1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000841555391 655345350 /nfs/dbraw/zinc/34/53/50/655345350.db2.gz CZYQZMCWVLTRPD-UHFFFAOYSA-N -1 1 392.231 1.256 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CO)[C@H]2CCCOC2)cc1Cl ZINC000841559881 655346984 /nfs/dbraw/zinc/34/69/84/655346984.db2.gz ISJMOHZBOHAUAY-GZMMTYOYSA-N -1 1 382.797 1.453 20 5 GDBDMM Cc1c(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])ccc1Br ZINC000842311966 655361845 /nfs/dbraw/zinc/36/18/45/655361845.db2.gz DLHFITMICMKEPB-PSASIEDQSA-N -1 1 377.216 1.536 20 5 GDBDMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000849426802 655533295 /nfs/dbraw/zinc/53/32/95/655533295.db2.gz AMMIKNWQNROJGJ-NXEZZACHSA-N -1 1 395.840 1.775 20 5 GDBDMM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000856759079 655717561 /nfs/dbraw/zinc/71/75/61/655717561.db2.gz 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CZQNDLXOSWJMQN-DGCLKSJQSA-N -1 1 389.330 1.999 20 5 GDBDMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000600875739 975011104 /nfs/dbraw/zinc/01/11/04/975011104.db2.gz RQIVVBPPDJAYNY-UHFFFAOYSA-N -1 1 387.396 1.402 20 5 GDBDMM CCc1[nH]nc(C(=O)N2CCN(c3ccc(C(=O)[O-])s3)CC2)c1[N+](=O)[O-] ZINC001597399304 987656778 /nfs/dbraw/zinc/65/67/78/987656778.db2.gz DJLHQEQLJXRERG-UHFFFAOYSA-N -1 1 379.398 1.602 20 5 GDBDMM C[S@](=O)Cc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001599777199 992319093 /nfs/dbraw/zinc/31/90/93/992319093.db2.gz OMAPVPFDNUXQTH-VWLOTQADSA-N -1 1 398.418 1.972 20 5 GDBDMM CN(Cc1ccccc1)C(=O)CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598526936 992731897 /nfs/dbraw/zinc/73/18/97/992731897.db2.gz DRXYRGLGZMAIEW-UHFFFAOYSA-N -1 1 387.392 1.806 20 5 GDBDMM COC(=O)COc1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001598867032 996712954 /nfs/dbraw/zinc/71/29/54/996712954.db2.gz YPRXSTIVQPRNSX-CYBMUJFWSA-N -1 1 378.381 1.833 20 5 GDBDMM 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COC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1C(=O)[O-] ZINC000831328783 600687731 /nfs/dbraw/zinc/68/77/31/600687731.db2.gz YVMPQYBQNXINSZ-UHFFFAOYSA-N -1 1 380.334 1.880 20 5 GDBDMM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(C2CCOCC2)CC1 ZINC000833306724 601335784 /nfs/dbraw/zinc/33/57/84/601335784.db2.gz FWADHZZVEACQJE-UHFFFAOYSA-N -1 1 380.357 1.502 20 5 GDBDMM O=C1CCCN1Cc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000823530234 606698853 /nfs/dbraw/zinc/69/88/53/606698853.db2.gz FLJZYYOLULXPGT-UHFFFAOYSA-N -1 1 394.395 1.904 20 5 GDBDMM O=C1CCCN1Cc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000823530234 606698855 /nfs/dbraw/zinc/69/88/55/606698855.db2.gz FLJZYYOLULXPGT-UHFFFAOYSA-N -1 1 394.395 1.904 20 5 GDBDMM Cc1cccc(C)c1OC[C@@H](O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822299840 606701735 /nfs/dbraw/zinc/70/17/35/606701735.db2.gz WLWAUUXGTOFSOL-LBPRGKRZSA-N -1 1 385.384 1.639 20 5 GDBDMM Cc1cccc(C)c1OC[C@@H](O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822299840 606701737 /nfs/dbraw/zinc/70/17/37/606701737.db2.gz WLWAUUXGTOFSOL-LBPRGKRZSA-N -1 1 385.384 1.639 20 5 GDBDMM CN(Cc1nc(-c2cccnc2)no1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821616714 606715334 /nfs/dbraw/zinc/71/53/34/606715334.db2.gz DIDRLIVPBGWSFT-UHFFFAOYSA-N -1 1 380.328 1.251 20 5 GDBDMM CN(Cc1nc(-c2cccnc2)no1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821616714 606715335 /nfs/dbraw/zinc/71/53/35/606715335.db2.gz DIDRLIVPBGWSFT-UHFFFAOYSA-N -1 1 380.328 1.251 20 5 GDBDMM C[C@H]1c2cccn2CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820825900 606730869 /nfs/dbraw/zinc/73/08/69/606730869.db2.gz GWLDHZVIZVZDOE-JTQLQIEISA-N -1 1 389.397 1.342 20 5 GDBDMM CC(C)C[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820069307 606733735 /nfs/dbraw/zinc/73/37/35/606733735.db2.gz ZPNDGMNMPHKIFN-LLVKDONJSA-N -1 1 396.429 1.211 20 5 GDBDMM Cc1ccc([N+](=O)[O-])c(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822271318 606807994 /nfs/dbraw/zinc/80/79/94/606807994.db2.gz XAROKLGIGIJDDX-GFCCVEGCSA-N -1 1 381.400 1.588 20 5 GDBDMM Cc1ccc([N+](=O)[O-])c(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822271318 606807995 /nfs/dbraw/zinc/80/79/95/606807995.db2.gz XAROKLGIGIJDDX-GFCCVEGCSA-N -1 1 381.400 1.588 20 5 GDBDMM COc1cc(OC)cc(OCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821728265 606881007 /nfs/dbraw/zinc/88/10/07/606881007.db2.gz SSEQBTISHNALOY-UHFFFAOYSA-N -1 1 387.356 1.678 20 5 GDBDMM COc1cc(OC)cc(OCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821728265 606881009 /nfs/dbraw/zinc/88/10/09/606881009.db2.gz SSEQBTISHNALOY-UHFFFAOYSA-N -1 1 387.356 1.678 20 5 GDBDMM O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823392015 607133750 /nfs/dbraw/zinc/13/37/50/607133750.db2.gz KTNAPJOTRIQKSM-OLZOCXBDSA-N -1 1 384.356 1.707 20 5 GDBDMM O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823392015 607133752 /nfs/dbraw/zinc/13/37/52/607133752.db2.gz KTNAPJOTRIQKSM-OLZOCXBDSA-N -1 1 384.356 1.707 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Nc2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000823646926 607154313 /nfs/dbraw/zinc/15/43/13/607154313.db2.gz DAILAWOIQDHKSE-UHFFFAOYSA-N -1 1 382.308 1.854 20 5 GDBDMM COc1ccccc1N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821896750 607161547 /nfs/dbraw/zinc/16/15/47/607161547.db2.gz AOXPZECEFMMNEB-UHFFFAOYSA-N -1 1 382.384 1.505 20 5 GDBDMM COc1ccccc1N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821896750 607161549 /nfs/dbraw/zinc/16/15/49/607161549.db2.gz AOXPZECEFMMNEB-UHFFFAOYSA-N -1 1 382.384 1.505 20 5 GDBDMM CN(c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000826004087 607841088 /nfs/dbraw/zinc/84/10/88/607841088.db2.gz IATXPFYZHWTMQU-ZDUSSCGKSA-N -1 1 381.400 1.670 20 5 GDBDMM CN(c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000826004087 607841089 /nfs/dbraw/zinc/84/10/89/607841089.db2.gz IATXPFYZHWTMQU-ZDUSSCGKSA-N -1 1 381.400 1.670 20 5 GDBDMM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826272732 607866965 /nfs/dbraw/zinc/86/69/65/607866965.db2.gz YPDNIARRQKKZHX-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826272732 607866966 /nfs/dbraw/zinc/86/69/66/607866966.db2.gz YPDNIARRQKKZHX-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826470692 608083120 /nfs/dbraw/zinc/08/31/20/608083120.db2.gz ZAZBMVIPHZEMLH-AWEZNQCLSA-N -1 1 397.351 1.089 20 5 GDBDMM O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826498095 608173616 /nfs/dbraw/zinc/17/36/16/608173616.db2.gz HMTXUPXJFCKHHQ-WPRPVWTQSA-N -1 1 397.804 1.391 20 5 GDBDMM O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826498095 608173618 /nfs/dbraw/zinc/17/36/18/608173618.db2.gz HMTXUPXJFCKHHQ-WPRPVWTQSA-N -1 1 397.804 1.391 20 5 GDBDMM Cc1ccc2c(c1)CCN2S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826294514 608294348 /nfs/dbraw/zinc/29/43/48/608294348.db2.gz UARRVQGRRNMOPX-UHFFFAOYSA-N -1 1 386.393 1.835 20 5 GDBDMM CC(C)(C)c1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(-c2nnn[n-]2)s1 ZINC000824130062 608347766 /nfs/dbraw/zinc/34/77/66/608347766.db2.gz HDWOTUBLVVPLBA-UHFFFAOYSA-N -1 1 376.402 1.969 20 5 GDBDMM CC(C)(C)c1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(-c2nn[n-]n2)s1 ZINC000824130062 608347768 /nfs/dbraw/zinc/34/77/68/608347768.db2.gz HDWOTUBLVVPLBA-UHFFFAOYSA-N -1 1 376.402 1.969 20 5 GDBDMM Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000826263441 609384811 /nfs/dbraw/zinc/38/48/11/609384811.db2.gz BSXZZSDKJFEFIA-GFCCVEGCSA-N -1 1 396.415 1.292 20 5 GDBDMM Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000826263441 609384813 /nfs/dbraw/zinc/38/48/13/609384813.db2.gz BSXZZSDKJFEFIA-GFCCVEGCSA-N -1 1 396.415 1.292 20 5 GDBDMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826210511 609455661 /nfs/dbraw/zinc/45/56/61/609455661.db2.gz UQQFIRBYWIWDOH-UHFFFAOYSA-N -1 1 376.354 1.584 20 5 GDBDMM COC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])cs1 ZINC000548541938 650550652 /nfs/dbraw/zinc/55/06/52/650550652.db2.gz FQSXWVPSIAYVAE-UHFFFAOYSA-N -1 1 386.363 1.942 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000920011169 660263493 /nfs/dbraw/zinc/26/34/93/660263493.db2.gz TXHNLDNINRWSHB-GXFFZTMASA-N -1 1 376.866 1.161 20 5 GDBDMM O=C(NCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(O)c1 ZINC000443229048 647190681 /nfs/dbraw/zinc/19/06/81/647190681.db2.gz TVZSDXPURDZTAZ-UHFFFAOYSA-N -1 1 385.423 1.460 20 5 GDBDMM C[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000921497360 660305614 /nfs/dbraw/zinc/30/56/14/660305614.db2.gz MPIUNELBAZKEBX-MUWHJKNJSA-N -1 1 383.195 1.810 20 5 GDBDMM C[C@H]1CN(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000594817303 652372390 /nfs/dbraw/zinc/37/23/90/652372390.db2.gz QHAQOXMKFHECPQ-QWRGUYRKSA-N -1 1 377.850 1.636 20 5 GDBDMM CS(=O)(=O)Cc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768837137 654434771 /nfs/dbraw/zinc/43/47/71/654434771.db2.gz XPPNGFGXDBVUHZ-UHFFFAOYSA-N -1 1 390.464 1.679 20 5 GDBDMM O=C([O-])c1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc2c1OCCO2 ZINC000768889922 654440457 /nfs/dbraw/zinc/44/04/57/654440457.db2.gz UHOHWJQFUFRJNV-UHFFFAOYSA-N -1 1 386.363 1.927 20 5 GDBDMM O=C1[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1c1ccccc1 ZINC000783535720 654861897 /nfs/dbraw/zinc/86/18/97/654861897.db2.gz GFAPXJGZIHRMTF-LBPRGKRZSA-N -1 1 381.797 1.942 20 5 GDBDMM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000829942644 654920460 /nfs/dbraw/zinc/92/04/60/654920460.db2.gz PCAZZRQDPKFSSQ-QMMMGPOBSA-N -1 1 382.225 1.849 20 5 GDBDMM CO[C@@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1 ZINC000809831280 655140086 /nfs/dbraw/zinc/14/00/86/655140086.db2.gz BPIYUESPIZEOLF-GFCCVEGCSA-N -1 1 385.225 1.985 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nnnn1C1CC1 ZINC000809837313 655141097 /nfs/dbraw/zinc/14/10/97/655141097.db2.gz SZFLWVTZBLRNQX-ZCFIWIBFSA-N -1 1 390.784 1.748 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])n1 ZINC000762538629 655168848 /nfs/dbraw/zinc/16/88/48/655168848.db2.gz LVDAUIDFJICYMV-LLVKDONJSA-N -1 1 392.796 1.616 20 5 GDBDMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)nc2n1 ZINC000813379180 655235810 /nfs/dbraw/zinc/23/58/10/655235810.db2.gz WNWZWGAALSSFFZ-UHFFFAOYSA-N -1 1 393.157 1.649 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCNc1cnccn1 ZINC000814998616 655276915 /nfs/dbraw/zinc/27/69/15/655276915.db2.gz QPIQQIRULQZQJB-UHFFFAOYSA-N -1 1 375.769 1.568 20 5 GDBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC(=O)N1 ZINC000841527060 655337876 /nfs/dbraw/zinc/33/78/76/655337876.db2.gz ANADYTYBPQQQDF-LBPRGKRZSA-N -1 1 392.231 1.304 20 5 GDBDMM O=C([N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC000842891888 655383202 /nfs/dbraw/zinc/38/32/02/655383202.db2.gz COQXCANJSVMUSK-PSASIEDQSA-N -1 1 397.634 1.714 20 5 GDBDMM Cn1cnc(CCC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1 ZINC000827925181 655517810 /nfs/dbraw/zinc/51/78/10/655517810.db2.gz QHHYFQFZLDDXSB-UHFFFAOYSA-N -1 1 394.240 1.941 20 5 GDBDMM COC(=O)N(C)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000849471692 655541856 /nfs/dbraw/zinc/54/18/56/655541856.db2.gz MYPRZZLAKHXROS-UHFFFAOYSA-N -1 1 396.219 1.334 20 5 GDBDMM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1C1CCC1 ZINC000859435374 655784433 /nfs/dbraw/zinc/78/44/33/655784433.db2.gz QOYJTRPXUSKVNE-LLVKDONJSA-N -1 1 391.808 1.819 20 5 GDBDMM O=C(CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000822958880 946236210 /nfs/dbraw/zinc/23/62/10/946236210.db2.gz LHYNJZGNSJLBHF-UHFFFAOYSA-N -1 1 394.395 1.904 20 5 GDBDMM O=C(CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000822958880 946236215 /nfs/dbraw/zinc/23/62/15/946236215.db2.gz LHYNJZGNSJLBHF-UHFFFAOYSA-N -1 1 394.395 1.904 20 5 GDBDMM CC(C)(C(=O)[O-])n1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC001589680823 987707179 /nfs/dbraw/zinc/70/71/79/987707179.db2.gz NIXRKYCJVRXQAB-UHFFFAOYSA-N -1 1 382.398 1.595 20 5 GDBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000043585322 530635341 /nfs/dbraw/zinc/63/53/41/530635341.db2.gz CKIDRRFTFJLMRD-UHFFFAOYSA-N -1 1 385.423 1.493 20 5 GDBDMM CN(C)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000067404686 530775550 /nfs/dbraw/zinc/77/55/50/530775550.db2.gz HGZHJLMKJZMIEX-GFCCVEGCSA-N -1 1 383.451 1.634 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CC[C@H](O)C1 ZINC000188346077 530892547 /nfs/dbraw/zinc/89/25/47/530892547.db2.gz ULCPJRIDWCAMQQ-WPRPVWTQSA-N -1 1 379.232 1.797 20 5 GDBDMM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000228583042 531033751 /nfs/dbraw/zinc/03/37/51/531033751.db2.gz BOBQTOGYCWEFCU-NSHDSACASA-N -1 1 399.288 1.750 20 5 GDBDMM COC[C@@H](O)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000231601603 531035697 /nfs/dbraw/zinc/03/56/97/531035697.db2.gz PDHTXKDJHBKVOD-VIFPVBQESA-N -1 1 383.220 1.033 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCN2CCC(O)CC2)cc1Cl ZINC000295286051 531556163 /nfs/dbraw/zinc/55/61/63/531556163.db2.gz IWSCHRNTORIQOA-UHFFFAOYSA-N -1 1 381.813 1.122 20 5 GDBDMM CS(=O)(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000499162935 531642458 /nfs/dbraw/zinc/64/24/58/531642458.db2.gz XJLVMPKULGXOOU-UHFFFAOYSA-N -1 1 384.435 1.983 20 5 GDBDMM NC(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)O1 ZINC000296294332 531678639 /nfs/dbraw/zinc/67/86/39/531678639.db2.gz NHPPQUWXZFGIDL-IMTBSYHQSA-N -1 1 398.224 1.213 20 5 GDBDMM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592080798 531756959 /nfs/dbraw/zinc/75/69/59/531756959.db2.gz RNZZXIYJAJXGBA-PSASIEDQSA-N -1 1 381.204 1.049 20 5 GDBDMM C[S@](=O)C1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000282684844 531785234 /nfs/dbraw/zinc/78/52/34/531785234.db2.gz WWRCYGFHEZBGHX-FQEVSTJZSA-N -1 1 397.272 1.547 20 5 GDBDMM CC(C)(O)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000286514888 532156013 /nfs/dbraw/zinc/15/60/13/532156013.db2.gz SATUPHHHWPAZOK-UHFFFAOYSA-N -1 1 385.211 1.936 20 5 GDBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000289766535 532331823 /nfs/dbraw/zinc/33/18/23/532331823.db2.gz HHXJQKAHECZYKB-JQWIXIFHSA-N -1 1 382.797 1.860 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H](CO)[C@@H]2CCOC2)c(Cl)cc1Cl ZINC000289927615 532334184 /nfs/dbraw/zinc/33/41/84/532334184.db2.gz RDFHWMOLSDIGCE-RKDXNWHRSA-N -1 1 399.252 1.825 20 5 GDBDMM CC[C@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000829163594 600812559 /nfs/dbraw/zinc/81/25/59/600812559.db2.gz YAXAMEAAEPFHTO-QWRGUYRKSA-N -1 1 382.373 1.483 20 5 GDBDMM CCCc1nc([C@@H]2CN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CCO2)n[nH]1 ZINC000829571705 600919948 /nfs/dbraw/zinc/91/99/48/600919948.db2.gz SPTHGAVXQKDGHV-ZDUSSCGKSA-N -1 1 389.368 1.577 20 5 GDBDMM CCCc1n[nH]c([C@@H]2CN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CCO2)n1 ZINC000829571705 600919950 /nfs/dbraw/zinc/91/99/50/600919950.db2.gz SPTHGAVXQKDGHV-ZDUSSCGKSA-N -1 1 389.368 1.577 20 5 GDBDMM O=[N+]([O-])c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826500640 607572854 /nfs/dbraw/zinc/57/28/54/607572854.db2.gz GHGXDOMBMMGNSN-UHFFFAOYSA-N -1 1 392.309 1.451 20 5 GDBDMM CCCCOCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825290634 607575614 /nfs/dbraw/zinc/57/56/14/607575614.db2.gz CADIRBMDIMUVBV-UHFFFAOYSA-N -1 1 384.418 1.260 20 5 GDBDMM C[C@H](C1CC1)N(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824377739 607584411 /nfs/dbraw/zinc/58/44/11/607584411.db2.gz LWDVAGLIIZAWMS-SECBINFHSA-N -1 1 378.414 1.727 20 5 GDBDMM C[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824377740 607584739 /nfs/dbraw/zinc/58/47/39/607584739.db2.gz LWDVAGLIIZAWMS-VIFPVBQESA-N -1 1 378.414 1.727 20 5 GDBDMM C[C@@H]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824925221 607595600 /nfs/dbraw/zinc/59/56/00/607595600.db2.gz BUPJMRABQWSUEX-MNOVXSKESA-N -1 1 380.430 1.880 20 5 GDBDMM Cc1ncc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1 ZINC000826330363 607598358 /nfs/dbraw/zinc/59/83/58/607598358.db2.gz RDBMCDVRDBHTSB-UHFFFAOYSA-N -1 1 381.399 1.018 20 5 GDBDMM Cc1nc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)sc1C ZINC000826326439 607658410 /nfs/dbraw/zinc/65/84/10/607658410.db2.gz PKCDYVBSXQIMDM-UHFFFAOYSA-N -1 1 395.426 1.327 20 5 GDBDMM Cc1ncc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1 ZINC000826329838 607678696 /nfs/dbraw/zinc/67/86/96/607678696.db2.gz UFLNQARJJZSOJP-UHFFFAOYSA-N -1 1 395.426 1.061 20 5 GDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000833625429 605166065 /nfs/dbraw/zinc/16/60/65/605166065.db2.gz LPDQCXNXLBEVTO-GFCCVEGCSA-N -1 1 376.413 1.790 20 5 GDBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000820455352 606644503 /nfs/dbraw/zinc/64/45/03/606644503.db2.gz HMXDFKHNKQDGNC-VIFPVBQESA-N -1 1 389.397 1.595 20 5 GDBDMM CS(=O)(=O)Cc1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821926244 606645769 /nfs/dbraw/zinc/64/57/69/606645769.db2.gz CMBASUSQPYTVDP-UHFFFAOYSA-N -1 1 388.409 1.932 20 5 GDBDMM O=C(C1CCCCC1)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822916874 606703824 /nfs/dbraw/zinc/70/38/24/606703824.db2.gz GXWOVLGDZAPCLV-UHFFFAOYSA-N -1 1 386.416 1.399 20 5 GDBDMM O=C(C1CCCCC1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822916874 606703827 /nfs/dbraw/zinc/70/38/27/606703827.db2.gz GXWOVLGDZAPCLV-UHFFFAOYSA-N -1 1 386.416 1.399 20 5 GDBDMM Cc1csc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C[C@H]2C)n1 ZINC000822414524 606708445 /nfs/dbraw/zinc/70/84/45/606708445.db2.gz JBBOTLGTFBALJY-SNVBAGLBSA-N -1 1 387.429 1.650 20 5 GDBDMM Cc1csc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C[C@H]2C)n1 ZINC000822414524 606708446 /nfs/dbraw/zinc/70/84/46/606708446.db2.gz JBBOTLGTFBALJY-SNVBAGLBSA-N -1 1 387.429 1.650 20 5 GDBDMM COC(=O)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000821640423 606710146 /nfs/dbraw/zinc/71/01/46/606710146.db2.gz IBMWIORPAIQLJP-NSHDSACASA-N -1 1 399.367 1.319 20 5 GDBDMM COC(=O)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000821640423 606710148 /nfs/dbraw/zinc/71/01/48/606710148.db2.gz IBMWIORPAIQLJP-NSHDSACASA-N -1 1 399.367 1.319 20 5 GDBDMM COc1cc(CC2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000821713341 606720157 /nfs/dbraw/zinc/72/01/57/606720157.db2.gz VLXGURVODUWZDK-UHFFFAOYSA-N -1 1 397.395 1.866 20 5 GDBDMM COc1cc(CC2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000821713341 606720158 /nfs/dbraw/zinc/72/01/58/606720158.db2.gz VLXGURVODUWZDK-UHFFFAOYSA-N -1 1 397.395 1.866 20 5 GDBDMM C[C@H]1SCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H]1C ZINC000820818969 606734464 /nfs/dbraw/zinc/73/44/64/606734464.db2.gz DBADBIUGTTYVNG-RKDXNWHRSA-N -1 1 384.443 1.289 20 5 GDBDMM CC(C)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCS1 ZINC000820044239 606735497 /nfs/dbraw/zinc/73/54/97/606735497.db2.gz DSQOZLFOVLQYJO-NSHDSACASA-N -1 1 398.470 1.537 20 5 GDBDMM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000823346426 606808270 /nfs/dbraw/zinc/80/82/70/606808270.db2.gz NNUXLGJNFAQHRR-UHFFFAOYSA-N -1 1 398.383 1.316 20 5 GDBDMM O=c1c(Br)cn(-c2ccc(Cl)c(-c3nnn[n-]3)n2)cc1[N+](=O)[O-] ZINC000823658014 606882573 /nfs/dbraw/zinc/88/25/73/606882573.db2.gz YEEVYIBUDHACMI-UHFFFAOYSA-N -1 1 398.564 1.737 20 5 GDBDMM O=c1c(Br)cn(-c2ccc(Cl)c(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC000823658014 606882574 /nfs/dbraw/zinc/88/25/74/606882574.db2.gz YEEVYIBUDHACMI-UHFFFAOYSA-N -1 1 398.564 1.737 20 5 GDBDMM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820814708 607153019 /nfs/dbraw/zinc/15/30/19/607153019.db2.gz XOXMYXGJLCYHSV-SNVBAGLBSA-N -1 1 386.393 1.915 20 5 GDBDMM CC(C)(C)OC(=O)N[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000819939469 607235562 /nfs/dbraw/zinc/23/55/62/607235562.db2.gz CQHSIVJBMOBOBU-VIFPVBQESA-N -1 1 376.377 1.273 20 5 GDBDMM CC(C)(C)OC(=O)N[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000819939469 607235563 /nfs/dbraw/zinc/23/55/63/607235563.db2.gz CQHSIVJBMOBOBU-VIFPVBQESA-N -1 1 376.377 1.273 20 5 GDBDMM CC(C)(C)c1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(-c2nnn[n-]2)s1 ZINC000824129658 607929114 /nfs/dbraw/zinc/92/91/14/607929114.db2.gz DCDOEDGCECADAT-UHFFFAOYSA-N -1 1 376.402 1.969 20 5 GDBDMM CC(C)(C)c1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(-c2nn[n-]n2)s1 ZINC000824129658 607929115 /nfs/dbraw/zinc/92/91/15/607929115.db2.gz DCDOEDGCECADAT-UHFFFAOYSA-N -1 1 376.402 1.969 20 5 GDBDMM C[C@@]1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO[C@H]1C1CC1 ZINC000824838850 608128524 /nfs/dbraw/zinc/12/85/24/608128524.db2.gz VBEINADPVJBTER-DZGCQCFKSA-N -1 1 394.413 1.011 20 5 GDBDMM Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000826263442 609384805 /nfs/dbraw/zinc/38/48/05/609384805.db2.gz BSXZZSDKJFEFIA-LBPRGKRZSA-N -1 1 396.415 1.292 20 5 GDBDMM Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000826263442 609384807 /nfs/dbraw/zinc/38/48/07/609384807.db2.gz BSXZZSDKJFEFIA-LBPRGKRZSA-N -1 1 396.415 1.292 20 5 GDBDMM Cn1cccc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1=O ZINC000150860343 644776539 /nfs/dbraw/zinc/77/65/39/644776539.db2.gz AWLUPZCHMMQKMO-UHFFFAOYSA-N -1 1 388.199 1.857 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2N2CCOCC2)s1 ZINC000370565272 645694447 /nfs/dbraw/zinc/69/44/47/645694447.db2.gz IIWXFIQJTVRCCO-VXGBXAGGSA-N -1 1 375.472 1.578 20 5 GDBDMM 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ZINC000751208374 654877061 /nfs/dbraw/zinc/87/70/61/654877061.db2.gz MOJABDHVUUGSLH-LLVKDONJSA-N -1 1 388.423 1.685 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCn2cncn2)c1Cl ZINC000829967748 654921918 /nfs/dbraw/zinc/92/19/18/654921918.db2.gz URZUSQNCOSZNAN-UHFFFAOYSA-N -1 1 380.213 1.862 20 5 GDBDMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])s1 ZINC000759166993 655078914 /nfs/dbraw/zinc/07/89/14/655078914.db2.gz ATPVKEAEOQUASP-UHFFFAOYSA-N -1 1 388.383 1.152 20 5 GDBDMM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000809827126 655139297 /nfs/dbraw/zinc/13/92/97/655139297.db2.gz CHNLYRQKISQMGL-UHFFFAOYSA-N -1 1 393.740 1.471 20 5 GDBDMM CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809830414 655139834 /nfs/dbraw/zinc/13/98/34/655139834.db2.gz SBNARPSCEYNVPU-XCBNKYQSSA-N -1 1 379.797 1.580 20 5 GDBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H]1OC ZINC000809830930 655140066 /nfs/dbraw/zinc/14/00/66/655140066.db2.gz JRYLUMUDNNIRSM-IRUJWGPZSA-N -1 1 382.797 1.858 20 5 GDBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H]1OC ZINC000809830932 655140078 /nfs/dbraw/zinc/14/00/78/655140078.db2.gz JRYLUMUDNNIRSM-UFGOTCBOSA-N -1 1 382.797 1.858 20 5 GDBDMM CCn1ncnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809841473 655141596 /nfs/dbraw/zinc/14/15/96/655141596.db2.gz KFSRICKZDYODJY-UHFFFAOYSA-N -1 1 380.213 1.992 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3SCCS[C@H]23)c([N+](=O)[O-])n1 ZINC000762525430 655167732 /nfs/dbraw/zinc/16/77/32/655167732.db2.gz JVARWSPKUMVRPN-WCABBAIRSA-N -1 1 378.501 1.469 20 5 GDBDMM CON(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000765213046 655234756 /nfs/dbraw/zinc/23/47/56/655234756.db2.gz AUGFIXXCKOLNAP-JTQLQIEISA-N -1 1 395.434 1.154 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCN1CCCOCC1 ZINC000815035783 655281579 /nfs/dbraw/zinc/28/15/79/655281579.db2.gz 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C[C@H]1CCCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001576167308 949609940 /nfs/dbraw/zinc/60/99/40/949609940.db2.gz CKMSIKCTIRDNJM-QWRGUYRKSA-N -1 1 380.430 1.880 20 5 GDBDMM C[C@H]1CCCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001576167308 949609951 /nfs/dbraw/zinc/60/99/51/949609951.db2.gz CKMSIKCTIRDNJM-QWRGUYRKSA-N -1 1 380.430 1.880 20 5 GDBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@H](CC(C)C)C(=O)[O-])CC1 ZINC000593733121 974983850 /nfs/dbraw/zinc/98/38/50/974983850.db2.gz XUOHLQLXFLPJCL-OAHLLOKOSA-N -1 1 399.469 1.709 20 5 GDBDMM C[C@@](CC(=O)[O-])(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccncc1 ZINC001592333655 977774505 /nfs/dbraw/zinc/77/45/05/977774505.db2.gz HMEHGPYDDVWALG-HNNXBMFYSA-N -1 1 383.357 1.797 20 5 GDBDMM CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599761366 992126419 /nfs/dbraw/zinc/12/64/19/992126419.db2.gz RYIKDPAUYGYYFR-CQSZACIVSA-N -1 1 385.442 1.587 20 5 GDBDMM 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CCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(N)=O ZINC000285454287 532085873 /nfs/dbraw/zinc/08/58/73/532085873.db2.gz SVRSARMNPMOPRJ-QMMMGPOBSA-N -1 1 380.220 1.290 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@H]2O)s1 ZINC000374719131 532134628 /nfs/dbraw/zinc/13/46/28/532134628.db2.gz VCCBBCPMRQJOFQ-GWCFXTLKSA-N -1 1 376.456 1.502 20 5 GDBDMM C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290041442 532335837 /nfs/dbraw/zinc/33/58/37/532335837.db2.gz ZPVZZKVYMVDLHZ-SVPXGXJHSA-N -1 1 375.255 1.947 20 5 GDBDMM O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738194695 599004131 /nfs/dbraw/zinc/00/41/31/599004131.db2.gz IQOCKWLXMUCVRV-UHFFFAOYSA-N -1 1 377.324 1.608 20 5 GDBDMM O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738194695 599004132 /nfs/dbraw/zinc/00/41/32/599004132.db2.gz IQOCKWLXMUCVRV-UHFFFAOYSA-N -1 1 377.324 1.608 20 5 GDBDMM O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nnn[n-]2)nc1 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/nfs/dbraw/zinc/25/57/65/600255765.db2.gz QFBNKMLXNQAVAN-UHFFFAOYSA-N -1 1 383.338 1.502 20 5 GDBDMM CN(C)C(=O)COc1cccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC000825845903 607452084 /nfs/dbraw/zinc/45/20/84/607452084.db2.gz NZAKLKVRCGTZES-UHFFFAOYSA-N -1 1 397.395 1.854 20 5 GDBDMM CN(C)C(=O)COc1cccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC000825845903 607452086 /nfs/dbraw/zinc/45/20/86/607452086.db2.gz NZAKLKVRCGTZES-UHFFFAOYSA-N -1 1 397.395 1.854 20 5 GDBDMM O=C([O-])c1ccsc1N1CC[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000833341490 600691676 /nfs/dbraw/zinc/69/16/76/600691676.db2.gz NFKZQOMEVLNUFL-UONOGXRCSA-N -1 1 391.405 1.783 20 5 GDBDMM C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000828029357 601888876 /nfs/dbraw/zinc/88/88/76/601888876.db2.gz ZFFOWIHUPPGNOA-DLBZAZTESA-N -1 1 376.369 1.116 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826500037 607574525 /nfs/dbraw/zinc/57/45/25/607574525.db2.gz JAHQNONOKFTMSF-UHFFFAOYSA-N -1 1 394.800 1.907 20 5 GDBDMM CN(Cc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825985850 607577429 /nfs/dbraw/zinc/57/74/29/607577429.db2.gz CNFVNLWCMCTBPD-UHFFFAOYSA-N -1 1 380.411 1.657 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC2(Cl)Cl)c1-c1nn[n-]n1 ZINC000826500022 607584718 /nfs/dbraw/zinc/58/47/18/607584718.db2.gz IKCJEZXGDJLYAB-ZCFIWIBFSA-N -1 1 393.212 1.247 20 5 GDBDMM C[C@@H](Cc1cccs1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824457056 607584830 /nfs/dbraw/zinc/58/48/30/607584830.db2.gz DABAZIBKEWZSSE-VIFPVBQESA-N -1 1 394.438 1.746 20 5 GDBDMM CCN(c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825444776 607606305 /nfs/dbraw/zinc/60/63/05/607606305.db2.gz QTLGYNGSNHQYRK-UHFFFAOYSA-N -1 1 375.370 1.385 20 5 GDBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1cccc(O)c1 ZINC000824640557 607629456 /nfs/dbraw/zinc/62/94/56/607629456.db2.gz KXGODCCFOMUZOM-VIFPVBQESA-N -1 1 390.381 1.520 20 5 GDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000833625432 605166017 /nfs/dbraw/zinc/16/60/17/605166017.db2.gz LPDQCXNXLBEVTO-LBPRGKRZSA-N -1 1 376.413 1.790 20 5 GDBDMM C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1CCC(=O)[O-] ZINC000833619720 605250736 /nfs/dbraw/zinc/25/07/36/605250736.db2.gz DNWIXUQDUGDCJC-LBPRGKRZSA-N -1 1 376.413 1.790 20 5 GDBDMM COc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1OC ZINC000821703332 606649264 /nfs/dbraw/zinc/64/92/64/606649264.db2.gz ZPGGMWQIQZLNAF-UHFFFAOYSA-N -1 1 386.324 1.544 20 5 GDBDMM COc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OC ZINC000821703332 606649265 /nfs/dbraw/zinc/64/92/65/606649265.db2.gz ZPGGMWQIQZLNAF-UHFFFAOYSA-N -1 1 386.324 1.544 20 5 GDBDMM C[C@@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000820241091 606704693 /nfs/dbraw/zinc/70/46/93/606704693.db2.gz DJYFPGSDBBHHLL-VIFPVBQESA-N -1 1 378.393 1.885 20 5 GDBDMM C[C@@H](CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000820241091 606704695 /nfs/dbraw/zinc/70/46/95/606704695.db2.gz DJYFPGSDBBHHLL-VIFPVBQESA-N -1 1 378.393 1.885 20 5 GDBDMM CN(c1cccnn1)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821619054 606708276 /nfs/dbraw/zinc/70/82/76/606708276.db2.gz HIQBKFMEDTZXQQ-UHFFFAOYSA-N -1 1 382.388 1.065 20 5 GDBDMM CN(c1cccnn1)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821619054 606708277 /nfs/dbraw/zinc/70/82/77/606708277.db2.gz HIQBKFMEDTZXQQ-UHFFFAOYSA-N -1 1 382.388 1.065 20 5 GDBDMM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000819933088 606710590 /nfs/dbraw/zinc/71/05/90/606710590.db2.gz FMDMLFNSDDWWGU-SNVBAGLBSA-N -1 1 390.404 1.981 20 5 GDBDMM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000819933088 606710592 /nfs/dbraw/zinc/71/05/92/606710592.db2.gz FMDMLFNSDDWWGU-SNVBAGLBSA-N -1 1 390.404 1.981 20 5 GDBDMM CN(Cc1ccc(S(C)(=O)=O)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821611098 606712365 /nfs/dbraw/zinc/71/23/65/606712365.db2.gz QNQXOVWWHOGDJC-UHFFFAOYSA-N -1 1 389.397 1.210 20 5 GDBDMM CN(Cc1ccc(S(C)(=O)=O)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821611098 606712367 /nfs/dbraw/zinc/71/23/67/606712367.db2.gz QNQXOVWWHOGDJC-UHFFFAOYSA-N -1 1 389.397 1.210 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)c1-c1nn[n-]n1 ZINC000823646904 606735686 /nfs/dbraw/zinc/73/56/86/606735686.db2.gz CIFPWVKLZGPACG-SNVBAGLBSA-N -1 1 390.381 1.894 20 5 GDBDMM O=C(c1ccc(F)cc1)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823487829 607167760 /nfs/dbraw/zinc/16/77/60/607167760.db2.gz IARBYWPZAUKUNL-UHFFFAOYSA-N -1 1 398.358 1.271 20 5 GDBDMM O=C(c1ccc(F)cc1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823487829 607167762 /nfs/dbraw/zinc/16/77/62/607167762.db2.gz IARBYWPZAUKUNL-UHFFFAOYSA-N -1 1 398.358 1.271 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3cccc(F)c32)c1-c1nn[n-]n1 ZINC000823648595 607172651 /nfs/dbraw/zinc/17/26/51/607172651.db2.gz XSZPHOLANABXRY-UHFFFAOYSA-N -1 1 390.356 1.665 20 5 GDBDMM Cc1cnc(CN(C)[C@@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)o1 ZINC000822389368 607174837 /nfs/dbraw/zinc/17/48/37/607174837.db2.gz UACXLWZCAOQXFC-LLVKDONJSA-N -1 1 385.388 1.177 20 5 GDBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000826272239 607791585 /nfs/dbraw/zinc/79/15/85/607791585.db2.gz ZUVHNQBWGBGJGN-UHFFFAOYSA-N -1 1 392.353 1.295 20 5 GDBDMM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826499778 607874920 /nfs/dbraw/zinc/87/49/20/607874920.db2.gz XDPMSNQYDAMTQY-LLVKDONJSA-N -1 1 375.316 1.733 20 5 GDBDMM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826499778 607874921 /nfs/dbraw/zinc/87/49/21/607874921.db2.gz XDPMSNQYDAMTQY-LLVKDONJSA-N -1 1 375.316 1.733 20 5 GDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826470693 608083147 /nfs/dbraw/zinc/08/31/47/608083147.db2.gz ZAZBMVIPHZEMLH-CQSZACIVSA-N -1 1 397.351 1.089 20 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ZINC000548222138 650537406 /nfs/dbraw/zinc/53/74/06/650537406.db2.gz KCAPDSQTCPMHAS-NSHDSACASA-N -1 1 391.833 1.466 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[S@](=O)Cc1ccccc1 ZINC000109839068 644623669 /nfs/dbraw/zinc/62/36/69/644623669.db2.gz URWDFOAQAKIODN-XMMPIXPASA-N -1 1 386.426 1.961 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000920011171 660263566 /nfs/dbraw/zinc/26/35/66/660263566.db2.gz TXHNLDNINRWSHB-ZWNOBZJWSA-N -1 1 376.866 1.161 20 5 GDBDMM CCc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)s1 ZINC000468939387 647685439 /nfs/dbraw/zinc/68/54/39/647685439.db2.gz JPPWLYCSBBGVFE-UHFFFAOYSA-N -1 1 385.423 1.879 20 5 GDBDMM CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000480395374 647846690 /nfs/dbraw/zinc/84/66/90/647846690.db2.gz QYCSKHNZEPDXDO-UHFFFAOYSA-N -1 1 390.464 1.928 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])n1 ZINC000490551665 647989307 /nfs/dbraw/zinc/98/93/07/647989307.db2.gz RKKKYWQRUOYMCI-TVQRCGJNSA-N -1 1 386.455 1.854 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC[C@]1(O)CCOC1 ZINC000593638127 652229526 /nfs/dbraw/zinc/22/95/26/652229526.db2.gz XGKMYRZFVKBPMJ-LBPRGKRZSA-N -1 1 395.231 1.177 20 5 GDBDMM CC1(C)CNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000595353541 652410940 /nfs/dbraw/zinc/41/09/40/652410940.db2.gz RFYNJRJNKXOMFE-SNVBAGLBSA-N -1 1 392.231 1.160 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)s1 ZINC000595360160 652412114 /nfs/dbraw/zinc/41/21/14/652412114.db2.gz ZYFNFZMHUNRESK-VXGBXAGGSA-N -1 1 387.483 1.578 20 5 GDBDMM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599460461 652501645 /nfs/dbraw/zinc/50/16/45/652501645.db2.gz NLRNELBTMWXNEX-VHSXEESVSA-N -1 1 378.428 1.293 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)COc1ccccc1 ZINC000751235594 654878167 /nfs/dbraw/zinc/87/81/67/654878167.db2.gz AFWZUYCIQSYMPP-GFCCVEGCSA-N -1 1 386.813 1.966 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H](CCO)C1CC1 ZINC000751442070 654891264 /nfs/dbraw/zinc/89/12/64/654891264.db2.gz ZRNYXVUEQUNJQC-SNVBAGLBSA-N -1 1 379.232 1.797 20 5 GDBDMM C[C@H]1COCCN1CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830395827 654943516 /nfs/dbraw/zinc/94/35/16/654943516.db2.gz ZAERQCKBLUTUFL-VIFPVBQESA-N -1 1 398.268 1.901 20 5 GDBDMM CCC[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757744774 655043378 /nfs/dbraw/zinc/04/33/78/655043378.db2.gz LNLVIGPKECYBTR-ZETCQYMHSA-N -1 1 385.211 1.936 20 5 GDBDMM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757745977 655043444 /nfs/dbraw/zinc/04/34/44/655043444.db2.gz VIAWFYPWWCTPAZ-LURJTMIESA-N -1 1 399.194 1.584 20 5 GDBDMM CC1(CC[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])OCCO1 ZINC000759116300 655077488 /nfs/dbraw/zinc/07/74/88/655077488.db2.gz QKERGWOXKIAMJO-UHFFFAOYSA-N -1 1 395.231 1.789 20 5 GDBDMM CCc1nncn1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822449 655138530 /nfs/dbraw/zinc/13/85/30/655138530.db2.gz KVBALYHNLFBAOW-UHFFFAOYSA-N -1 1 377.785 1.520 20 5 GDBDMM CN1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000809824129 655138743 /nfs/dbraw/zinc/13/87/43/655138743.db2.gz ZQMUFJNCYQJCKP-SECBINFHSA-N -1 1 382.225 1.801 20 5 GDBDMM CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809830407 655139839 /nfs/dbraw/zinc/13/98/39/655139839.db2.gz SBNARPSCEYNVPU-GMSGAONNSA-N -1 1 379.797 1.580 20 5 GDBDMM C[C@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000814978335 655276290 /nfs/dbraw/zinc/27/62/90/655276290.db2.gz ATWWBHZSZOLRLY-NSHDSACASA-N -1 1 386.810 1.243 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCN1CCSCC1 ZINC000815012055 655277825 /nfs/dbraw/zinc/27/78/25/655277825.db2.gz FXKHXOKTKKZEJD-UHFFFAOYSA-N -1 1 383.854 1.714 20 5 GDBDMM NC(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC1 ZINC000815014116 655278128 /nfs/dbraw/zinc/27/81/28/655278128.db2.gz WWHIPPDGBFZTDA-UHFFFAOYSA-N -1 1 379.797 1.711 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](CCO)C1CCOCC1 ZINC000815034464 655281375 /nfs/dbraw/zinc/28/13/75/655281375.db2.gz PKJZXVRXAZWJOV-LBPRGKRZSA-N -1 1 396.824 1.843 20 5 GDBDMM O=C([N-]S(=O)(=O)CCc1ccccc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC000842364820 655364208 /nfs/dbraw/zinc/36/42/08/655364208.db2.gz AXLTUHNFMSEXIK-MWLCHTKSSA-N -1 1 377.216 1.103 20 5 GDBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CO1 ZINC000828288192 655520281 /nfs/dbraw/zinc/52/02/81/655520281.db2.gz CGJUKQFOFCWNPP-NKWVEPMBSA-N -1 1 383.195 1.952 20 5 GDBDMM CS(=O)(=O)CC1(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000849415277 655530259 /nfs/dbraw/zinc/53/02/59/655530259.db2.gz KHKBKAMKPQXWDA-UHFFFAOYSA-N -1 1 380.419 1.227 20 5 GDBDMM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000856757233 655717484 /nfs/dbraw/zinc/71/74/84/655717484.db2.gz LVHPGHBQVLBBQA-MRVPVSSYSA-N -1 1 382.225 1.801 20 5 GDBDMM CCOC(=O)c1cnn(CCCOc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000825571031 947234564 /nfs/dbraw/zinc/23/45/64/947234564.db2.gz SPOMSTXEGTWEJU-UHFFFAOYSA-N -1 1 387.356 1.617 20 5 GDBDMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000536293702 953572332 /nfs/dbraw/zinc/57/23/32/953572332.db2.gz STFWAOKZFVFJBH-UHFFFAOYSA-N -1 1 399.347 1.251 20 5 GDBDMM Cc1ccc(C[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001594360224 958442374 /nfs/dbraw/zinc/44/23/74/958442374.db2.gz SUZVXNVMIFSTEQ-AAEUAGOBSA-N -1 1 389.330 1.999 20 5 GDBDMM C[S@](=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001599781315 992367510 /nfs/dbraw/zinc/36/75/10/992367510.db2.gz VXOIHTQACQXEEE-DEOSSOPVSA-N -1 1 384.391 1.831 20 5 GDBDMM C[C@](O)(CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C(=O)[O-] ZINC001593396037 995135338 /nfs/dbraw/zinc/13/53/38/995135338.db2.gz FNSQPALPHMBNMD-AWEZNQCLSA-N -1 1 377.319 1.571 20 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531255763 /nfs/dbraw/zinc/25/57/63/531255763.db2.gz XXTZTFMPWMPBDW-UHFFFAOYSA-N -1 1 381.435 1.520 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nnc2n1CCC2 ZINC000290806131 531257157 /nfs/dbraw/zinc/25/71/57/531257157.db2.gz RWGMVRJZMZWFMN-SSDOTTSWSA-N -1 1 389.796 1.965 20 5 GDBDMM COC(=O)CC1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOCC1 ZINC000267297544 531418305 /nfs/dbraw/zinc/41/83/05/531418305.db2.gz TWYCSOQLTSBIQC-UHFFFAOYSA-N -1 1 376.362 1.125 20 5 GDBDMM Cc1nnsc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000490458613 531532976 /nfs/dbraw/zinc/53/29/76/531532976.db2.gz RFAZCWNOHJYAOO-UHFFFAOYSA-N -1 1 393.244 1.996 20 5 GDBDMM C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295186852 531535841 /nfs/dbraw/zinc/53/58/41/531535841.db2.gz QNUVRLMYJLAPOI-ZCFIWIBFSA-N -1 1 391.254 1.613 20 5 GDBDMM CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000588136181 531650278 /nfs/dbraw/zinc/65/02/78/531650278.db2.gz ZYFHUGUOOFLKDE-SECBINFHSA-N 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ZINC000425210733 532129190 /nfs/dbraw/zinc/12/91/90/532129190.db2.gz WWDSBRBLSXNPJP-LURJTMIESA-N -1 1 377.425 1.939 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H](CO)[C@@H]2CCOC2)c(Cl)cc1Cl ZINC000289927609 532334192 /nfs/dbraw/zinc/33/41/92/532334192.db2.gz RDFHWMOLSDIGCE-BDAKNGLRSA-N -1 1 399.252 1.825 20 5 GDBDMM CC(C)(C)[C@@H](O)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290031619 532335443 /nfs/dbraw/zinc/33/54/43/532335443.db2.gz YZAZZWXPDWWOMP-OQPBUACISA-N -1 1 398.840 1.824 20 5 GDBDMM COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737117560 598687219 /nfs/dbraw/zinc/68/72/19/598687219.db2.gz ZBFJEHXSSGSZMC-UHFFFAOYSA-N -1 1 395.328 1.690 20 5 GDBDMM COC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C(=O)[O-])s1 ZINC000737681814 599814191 /nfs/dbraw/zinc/81/41/91/599814191.db2.gz VLEBQXNDMACONG-UHFFFAOYSA-N -1 1 386.363 1.942 20 5 GDBDMM O=C(c1cccc(O)c1)N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000826474195 607452261 /nfs/dbraw/zinc/45/22/61/607452261.db2.gz FNHCHIGPUJOWBR-UHFFFAOYSA-N -1 1 395.379 1.443 20 5 GDBDMM O=C(c1cccc(O)c1)N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000826474195 607452263 /nfs/dbraw/zinc/45/22/63/607452263.db2.gz FNHCHIGPUJOWBR-UHFFFAOYSA-N -1 1 395.379 1.443 20 5 GDBDMM O=C([O-])CCc1nnc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000739778895 600627884 /nfs/dbraw/zinc/62/78/84/600627884.db2.gz ZKSPRULYJNTGSQ-UHFFFAOYSA-N -1 1 380.338 1.487 20 5 GDBDMM O=C([O-])CCN(Cn1cc(Br)c([N+](=O)[O-])n1)C1CCOCC1 ZINC000833236094 600720970 /nfs/dbraw/zinc/72/09/70/600720970.db2.gz KPRYGBGDHUYPGM-UHFFFAOYSA-N -1 1 377.195 1.467 20 5 GDBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000600867524 601091913 /nfs/dbraw/zinc/09/19/13/601091913.db2.gz AWKABEAMJNNSJM-CYBMUJFWSA-N -1 1 387.396 1.402 20 5 GDBDMM Cc1n[nH]c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000832847429 601778073 /nfs/dbraw/zinc/77/80/73/601778073.db2.gz LCXVOZLFMLGKFK-GOSISDBHSA-N -1 1 387.396 1.476 20 5 GDBDMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H]1C ZINC000824925217 607574834 /nfs/dbraw/zinc/57/48/34/607574834.db2.gz BSQOKYLMIDHCAL-MXWKQRLJSA-N -1 1 380.430 1.878 20 5 GDBDMM COc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826211818 607575742 /nfs/dbraw/zinc/57/57/42/607575742.db2.gz VVRLYMBIXSCXAQ-UHFFFAOYSA-N -1 1 395.328 1.690 20 5 GDBDMM COc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826211818 607575744 /nfs/dbraw/zinc/57/57/44/607575744.db2.gz VVRLYMBIXSCXAQ-UHFFFAOYSA-N -1 1 395.328 1.690 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cccs2)c1-c1nn[n-]n1 ZINC000826500384 607579788 /nfs/dbraw/zinc/57/97/88/607579788.db2.gz WPMTYEVWJHJAJI-UHFFFAOYSA-N -1 1 380.411 1.357 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCc3occc32)c1-c1nn[n-]n1 ZINC000826500328 607584544 /nfs/dbraw/zinc/58/45/44/607584544.db2.gz UHOCSZXQESBNBY-SNVBAGLBSA-N -1 1 390.381 1.724 20 5 GDBDMM CC(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824230049 607662003 /nfs/dbraw/zinc/66/20/03/607662003.db2.gz YOSNBGDSAIWVLL-QMTHXVAHSA-N -1 1 396.429 1.114 20 5 GDBDMM C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830934671 604278243 /nfs/dbraw/zinc/27/82/43/604278243.db2.gz IXMYUKCIAOBHAU-ZDUSSCGKSA-N -1 1 396.831 1.689 20 5 GDBDMM CCn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c([N+](=O)[O-])n1 ZINC000833683316 604634347 /nfs/dbraw/zinc/63/43/47/604634347.db2.gz KOIYAELGFWJTTQ-UHFFFAOYSA-N -1 1 376.297 1.588 20 5 GDBDMM C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])N1CCC[C@H](C)C1 ZINC000833613739 605392482 /nfs/dbraw/zinc/39/24/82/605392482.db2.gz HAKYDSBMTMBMNU-NWDGAFQWSA-N -1 1 385.442 1.692 20 5 GDBDMM O=[N+]([O-])c1c(NCC2(CO)CC2)cc(NCC2(CO)CC2)cc1-c1nnn[n-]1 ZINC000823629698 606142789 /nfs/dbraw/zinc/14/27/89/606142789.db2.gz FHOPXUXIIDXUFQ-UHFFFAOYSA-N -1 1 389.416 1.144 20 5 GDBDMM O=[N+]([O-])c1c(NCC2(CO)CC2)cc(NCC2(CO)CC2)cc1-c1nn[n-]n1 ZINC000823629698 606142790 /nfs/dbraw/zinc/14/27/90/606142790.db2.gz FHOPXUXIIDXUFQ-UHFFFAOYSA-N -1 1 389.416 1.144 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000823640247 606145813 /nfs/dbraw/zinc/14/58/13/606145813.db2.gz YVPBWNNIHNVWMV-UHFFFAOYSA-N -1 1 382.745 1.591 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000823640247 606145815 /nfs/dbraw/zinc/14/58/15/606145815.db2.gz YVPBWNNIHNVWMV-UHFFFAOYSA-N -1 1 382.745 1.591 20 5 GDBDMM CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821014705 606704875 /nfs/dbraw/zinc/70/48/75/606704875.db2.gz KCKIRABRUBRLNH-RYUDHWBXSA-N -1 1 388.432 1.691 20 5 GDBDMM CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821014705 606704877 /nfs/dbraw/zinc/70/48/77/606704877.db2.gz KCKIRABRUBRLNH-RYUDHWBXSA-N -1 1 388.432 1.691 20 5 GDBDMM COC(=O)c1cc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000821668095 606709827 /nfs/dbraw/zinc/70/98/27/606709827.db2.gz OIRNIKBQYSITOW-UHFFFAOYSA-N -1 1 387.268 1.657 20 5 GDBDMM COC(=O)c1cc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000821668095 606709828 /nfs/dbraw/zinc/70/98/28/606709828.db2.gz OIRNIKBQYSITOW-UHFFFAOYSA-N -1 1 387.268 1.657 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000823620313 606720792 /nfs/dbraw/zinc/72/07/92/606720792.db2.gz KEERXWGTWQXQLT-UHFFFAOYSA-N -1 1 393.429 1.108 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000823620313 606720794 /nfs/dbraw/zinc/72/07/94/606720794.db2.gz KEERXWGTWQXQLT-UHFFFAOYSA-N -1 1 393.429 1.108 20 5 GDBDMM C[C@H](c1ccco1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820570421 606732180 /nfs/dbraw/zinc/73/21/80/606732180.db2.gz JOHDJEYJJRBQJA-SECBINFHSA-N -1 1 378.370 1.750 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000820804208 606780721 /nfs/dbraw/zinc/78/07/21/606780721.db2.gz NWZYCVWTWLPVTI-JTQLQIEISA-N -1 1 387.429 1.337 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000820804208 606780723 /nfs/dbraw/zinc/78/07/23/606780723.db2.gz NWZYCVWTWLPVTI-JTQLQIEISA-N -1 1 387.429 1.337 20 5 GDBDMM CN(c1cc(F)ccc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821619141 607155628 /nfs/dbraw/zinc/15/56/28/607155628.db2.gz KYKUNHSGINSHTE-UHFFFAOYSA-N -1 1 396.335 1.878 20 5 GDBDMM O=C(c1ccco1)N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823493799 607166027 /nfs/dbraw/zinc/16/60/27/607166027.db2.gz WDAGRVRIJZJZJO-UHFFFAOYSA-N -1 1 384.356 1.480 20 5 GDBDMM O=C(c1ccco1)N1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823493799 607166028 /nfs/dbraw/zinc/16/60/28/607166028.db2.gz WDAGRVRIJZJZJO-UHFFFAOYSA-N -1 1 384.356 1.480 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccnc1N1CCOCC1 ZINC000823624591 607168039 /nfs/dbraw/zinc/16/80/39/607168039.db2.gz DXOIVAHLNJBUCN-UHFFFAOYSA-N -1 1 383.372 1.014 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccnc1N1CCOCC1 ZINC000823624591 607168040 /nfs/dbraw/zinc/16/80/40/607168040.db2.gz DXOIVAHLNJBUCN-UHFFFAOYSA-N -1 1 383.372 1.014 20 5 GDBDMM C[C@@H]1CN(c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000820777254 607168522 /nfs/dbraw/zinc/16/85/22/607168522.db2.gz QKBRFYKNTVXXOU-PHIMTYICSA-N -1 1 397.399 1.922 20 5 GDBDMM C[C@@H]1CN(c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000820777254 607168524 /nfs/dbraw/zinc/16/85/24/607168524.db2.gz QKBRFYKNTVXXOU-PHIMTYICSA-N -1 1 397.399 1.922 20 5 GDBDMM Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826292818 607866892 /nfs/dbraw/zinc/86/68/92/607866892.db2.gz NIVKGVAWIJREFI-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826292818 607866893 /nfs/dbraw/zinc/86/68/93/607866893.db2.gz NIVKGVAWIJREFI-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826300139 607867034 /nfs/dbraw/zinc/86/70/34/607867034.db2.gz KIUUDTGDRBQITK-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826300139 607867035 /nfs/dbraw/zinc/86/70/35/607867035.db2.gz KIUUDTGDRBQITK-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826292897 607867634 /nfs/dbraw/zinc/86/76/34/607867634.db2.gz RDNHLCWBJYKKES-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826292897 607867635 /nfs/dbraw/zinc/86/76/35/607867635.db2.gz RDNHLCWBJYKKES-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826498427 607868388 /nfs/dbraw/zinc/86/83/88/607868388.db2.gz ULJYIEJFMNZNNB-UHFFFAOYSA-N -1 1 379.329 1.823 20 5 GDBDMM O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826498427 607868389 /nfs/dbraw/zinc/86/83/89/607868389.db2.gz ULJYIEJFMNZNNB-UHFFFAOYSA-N -1 1 379.329 1.823 20 5 GDBDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)nc1 ZINC000826498844 608193028 /nfs/dbraw/zinc/19/30/28/608193028.db2.gz LUFNGNHFLPQHNM-ZETCQYMHSA-N -1 1 393.820 1.971 20 5 GDBDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)nc1 ZINC000826498844 608193030 /nfs/dbraw/zinc/19/30/30/608193030.db2.gz LUFNGNHFLPQHNM-ZETCQYMHSA-N -1 1 393.820 1.971 20 5 GDBDMM C[C@@H]1CC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824891509 608447449 /nfs/dbraw/zinc/44/74/49/608447449.db2.gz AMLRWMLTTPOBTL-RKDXNWHRSA-N -1 1 382.402 1.009 20 5 GDBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000825923127 608555045 /nfs/dbraw/zinc/55/50/45/608555045.db2.gz CRFJGGXWFMDFEG-UHFFFAOYSA-N -1 1 399.415 1.104 20 5 GDBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000825923127 608555046 /nfs/dbraw/zinc/55/50/46/608555046.db2.gz CRFJGGXWFMDFEG-UHFFFAOYSA-N -1 1 399.415 1.104 20 5 GDBDMM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826473612 608721819 /nfs/dbraw/zinc/72/18/19/608721819.db2.gz GNKADMFTIVOGLW-UHFFFAOYSA-N -1 1 383.368 1.326 20 5 GDBDMM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826473612 608721820 /nfs/dbraw/zinc/72/18/20/608721820.db2.gz GNKADMFTIVOGLW-UHFFFAOYSA-N -1 1 383.368 1.326 20 5 GDBDMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000826458619 609312421 /nfs/dbraw/zinc/31/24/21/609312421.db2.gz YKKJBFIAFKBUQO-UHFFFAOYSA-N -1 1 383.303 1.680 20 5 GDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000826357266 609382472 /nfs/dbraw/zinc/38/24/72/609382472.db2.gz XZSHFMQYZOBXLQ-UHFFFAOYSA-N -1 1 391.779 1.526 20 5 GDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000826357266 609382474 /nfs/dbraw/zinc/38/24/74/609382474.db2.gz XZSHFMQYZOBXLQ-UHFFFAOYSA-N -1 1 391.779 1.526 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]CCOc2ccc(F)c(F)c2)c([N+](=O)[O-])n1 ZINC000532854854 650036576 /nfs/dbraw/zinc/03/65/76/650036576.db2.gz OFUWKRBEUYNGKI-UHFFFAOYSA-N -1 1 376.341 1.447 20 5 GDBDMM NC(=O)[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000551992004 650616050 /nfs/dbraw/zinc/61/60/50/650616050.db2.gz CCULZVPJAHBVER-NSHDSACASA-N -1 1 384.801 1.018 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1(CCO)CC1 ZINC000157273979 644827832 /nfs/dbraw/zinc/82/78/32/644827832.db2.gz YUJADHUGOLMQRN-UHFFFAOYSA-N -1 1 379.232 1.798 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@]2(C)OCCc3sccc32)c([N+](=O)[O-])n1 ZINC000515257535 648487747 /nfs/dbraw/zinc/48/77/47/648487747.db2.gz XPDIPZXQEBCMDL-CQSZACIVSA-N -1 1 386.455 1.639 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H](CO)C1CCC1 ZINC000594801635 652367421 /nfs/dbraw/zinc/36/74/21/652367421.db2.gz QIYSYWGECGNGQN-SNVBAGLBSA-N -1 1 379.232 1.797 20 5 GDBDMM CS(=O)(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000610136083 652873017 /nfs/dbraw/zinc/87/30/17/652873017.db2.gz JYWDEUPUXXONAC-ZJUUUORDSA-N -1 1 396.874 1.882 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000768799381 654431041 /nfs/dbraw/zinc/43/10/41/654431041.db2.gz UEINCDKXIOLUNG-MRVPVSSYSA-N -1 1 391.452 1.343 20 5 GDBDMM CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000735920511 654576506 /nfs/dbraw/zinc/57/65/06/654576506.db2.gz ZQBAPXIZPWMPIH-UHFFFAOYSA-N -1 1 375.378 1.632 20 5 GDBDMM CCN1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1=O ZINC000801714624 654931870 /nfs/dbraw/zinc/93/18/70/654931870.db2.gz VESQBQWFXPNAHJ-VIFPVBQESA-N -1 1 392.231 1.256 20 5 GDBDMM COC(=O)N1CC([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830908853 654962515 /nfs/dbraw/zinc/96/25/15/654962515.db2.gz QKWMTBSNEYPGQR-UHFFFAOYSA-N -1 1 384.197 1.631 20 5 GDBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)co1 ZINC000803407882 654976132 /nfs/dbraw/zinc/97/61/32/654976132.db2.gz RQOBBWWMYOZRIQ-UHFFFAOYSA-N -1 1 376.293 1.731 20 5 GDBDMM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757745978 655043322 /nfs/dbraw/zinc/04/33/22/655043322.db2.gz VIAWFYPWWCTPAZ-ZCFIWIBFSA-N -1 1 399.194 1.584 20 5 GDBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(F)(F)Br ZINC000808572520 655112021 /nfs/dbraw/zinc/11/20/21/655112021.db2.gz FTBGDVNICLZZPD-UHFFFAOYSA-N -1 1 375.147 1.869 20 5 GDBDMM O=C(c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000760609417 655120630 /nfs/dbraw/zinc/12/06/30/655120630.db2.gz CKXCIJJXUBJDJL-LBPRGKRZSA-N -1 1 381.435 1.849 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOC[C@@H]2CCCO2)cc1Cl ZINC000809817814 655137951 /nfs/dbraw/zinc/13/79/51/655137951.db2.gz PIKBQZQQMYHZHI-VIFPVBQESA-N -1 1 382.797 1.861 20 5 GDBDMM COCC[C@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000809839712 655141348 /nfs/dbraw/zinc/14/13/48/655141348.db2.gz KCNXINAOEFBZLS-ZDUSSCGKSA-N -1 1 382.797 1.861 20 5 GDBDMM NC(=O)CC1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC1 ZINC000762384995 655163713 /nfs/dbraw/zinc/16/37/13/655163713.db2.gz DXCYEWPXVIQOJQ-UHFFFAOYSA-N -1 1 392.231 1.434 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@@H]23)c([N+](=O)[O-])n1 ZINC000762525428 655167680 /nfs/dbraw/zinc/16/76/80/655167680.db2.gz JVARWSPKUMVRPN-KKZNHRDASA-N -1 1 378.501 1.469 20 5 GDBDMM NC(=O)C1([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCC1 ZINC000795892427 655194219 /nfs/dbraw/zinc/19/42/19/655194219.db2.gz FEBQOAJNDWQUKX-UHFFFAOYSA-N -1 1 396.194 1.183 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCO)C1CCOCC1 ZINC000763614693 655197829 /nfs/dbraw/zinc/19/78/29/655197829.db2.gz VWTMILCPIOZDPZ-GFCCVEGCSA-N -1 1 378.834 1.704 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C1(CCO)CC1 ZINC000814280924 655260166 /nfs/dbraw/zinc/26/01/66/655260166.db2.gz KYZKLPNDTYBWQK-UHFFFAOYSA-N -1 1 383.195 1.690 20 5 GDBDMM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025366 655279893 /nfs/dbraw/zinc/27/98/93/655279893.db2.gz UJGNOLYIBGYGOR-SSDOTTSWSA-N -1 1 388.826 1.489 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@]1(CCO)CCOC1 ZINC000815026922 655280075 /nfs/dbraw/zinc/28/00/75/655280075.db2.gz LDEWVQLUAKUCRS-ZDUSSCGKSA-N -1 1 382.797 1.455 20 5 GDBDMM NC(=O)CC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000817141850 655344040 /nfs/dbraw/zinc/34/40/40/655344040.db2.gz OQRWHNKMONBGIX-UHFFFAOYSA-N -1 1 382.225 1.836 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c1Cl ZINC000845986273 655441803 /nfs/dbraw/zinc/44/18/03/655441803.db2.gz HHLLPEUKDMTDHN-GFCCVEGCSA-N -1 1 385.225 1.721 20 5 GDBDMM CCn1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)nn1 ZINC000849443583 655536543 /nfs/dbraw/zinc/53/65/43/655536543.db2.gz AVLJREPPQVNVOS-UHFFFAOYSA-N -1 1 380.213 1.992 20 5 GDBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CS1(=O)=O ZINC000849452946 655538693 /nfs/dbraw/zinc/53/86/93/655538693.db2.gz XLYDBUUMDOXBDB-SCZZXKLOSA-N -1 1 382.847 1.492 20 5 GDBDMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CS1(=O)=O ZINC000849452948 655538760 /nfs/dbraw/zinc/53/87/60/655538760.db2.gz XLYDBUUMDOXBDB-WPRPVWTQSA-N -1 1 382.847 1.492 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1C[C@H](O)C12CCC2 ZINC000849470685 655541612 /nfs/dbraw/zinc/54/16/12/655541612.db2.gz HFPDNKBUZPQGPR-RYUDHWBXSA-N -1 1 391.243 1.939 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cc3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC000826500400 948415559 /nfs/dbraw/zinc/41/55/59/948415559.db2.gz XFNODPDVDULQCK-UHFFFAOYSA-N -1 1 399.392 1.735 20 5 GDBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)n1 ZINC000600664979 975004445 /nfs/dbraw/zinc/00/44/45/975004445.db2.gz KKSXTYNRMQIGBE-LBPRGKRZSA-N -1 1 394.409 1.425 20 5 GDBDMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000864159266 979774045 /nfs/dbraw/zinc/77/40/45/979774045.db2.gz SCFOEDHHTRQZIC-UHFFFAOYSA-N -1 1 390.440 1.816 20 5 GDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001594523016 986020333 /nfs/dbraw/zinc/02/03/33/986020333.db2.gz ZFEJGUQHIHVUSD-ZDUSSCGKSA-N -1 1 387.396 1.402 20 5 GDBDMM CN(C(=O)CN1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001598021978 990210086 /nfs/dbraw/zinc/21/00/86/990210086.db2.gz BSMXKGYARPKFMI-RRQGHBQHSA-N -1 1 391.424 1.902 20 5 GDBDMM C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1CCC(=O)[O-] ZINC001594465658 999684459 /nfs/dbraw/zinc/68/44/59/999684459.db2.gz UHFKBLKWKDXWFF-AWEZNQCLSA-N -1 1 378.429 1.794 20 5 GDBDMM CC1(C)[C@H](O)C[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000188131983 530886513 /nfs/dbraw/zinc/88/65/13/530886513.db2.gz SFGSXSJFYLUNNU-GHMZBOCLSA-N -1 1 379.232 1.795 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](O)C1 ZINC000188346095 530892239 /nfs/dbraw/zinc/89/22/39/530892239.db2.gz ULCPJRIDWCAMQQ-PSASIEDQSA-N -1 1 379.232 1.797 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc[nH]n1 ZINC000128912897 531045730 /nfs/dbraw/zinc/04/57/30/531045730.db2.gz GTZSZBSWIMDLQE-LURJTMIESA-N -1 1 376.192 1.515 20 5 GDBDMM CNC(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000263674569 531148737 /nfs/dbraw/zinc/14/87/37/531148737.db2.gz KNXXRZYNUWPVCM-UHFFFAOYSA-N -1 1 375.834 1.831 20 5 GDBDMM COCCOCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000264065337 531167305 /nfs/dbraw/zinc/16/73/05/531167305.db2.gz LILFWPPGCRAJEH-UHFFFAOYSA-N -1 1 383.220 1.299 20 5 GDBDMM C[C@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290337398 531225559 /nfs/dbraw/zinc/22/55/59/531225559.db2.gz BDJJTOVUPQSTTG-RKDXNWHRSA-N -1 1 382.797 1.860 20 5 GDBDMM O=C1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000433449583 531225819 /nfs/dbraw/zinc/22/58/19/531225819.db2.gz HGYRQCDZJDOCOF-VIFPVBQESA-N -1 1 392.231 1.304 20 5 GDBDMM O=C1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000363124711 531472812 /nfs/dbraw/zinc/47/28/12/531472812.db2.gz ZJVIOXVIEMKQNY-LBPRGKRZSA-N -1 1 381.435 1.736 20 5 GDBDMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000416488152 531644323 /nfs/dbraw/zinc/64/43/23/531644323.db2.gz LXFUJIIQYAQRHL-UHFFFAOYSA-N -1 1 379.320 1.773 20 5 GDBDMM C[S@@](=O)C1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000282642961 531780426 /nfs/dbraw/zinc/78/04/26/531780426.db2.gz UGRBOYXOAMULLW-HXUWFJFHSA-N -1 1 397.272 1.547 20 5 GDBDMM CC(C)(C)[C@H](O)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000284749659 531987300 /nfs/dbraw/zinc/98/73/00/531987300.db2.gz UIOMGHVHLMNHPE-GXFFZTMASA-N -1 1 380.850 1.685 20 5 GDBDMM Cc1c(Cl)cc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000326101780 532076991 /nfs/dbraw/zinc/07/69/91/532076991.db2.gz DKBKAYFZRPVMRT-UHFFFAOYSA-N -1 1 379.822 1.194 20 5 GDBDMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000274985967 532250055 /nfs/dbraw/zinc/25/00/55/532250055.db2.gz MAXCHNCVENLOTJ-NSHDSACASA-N -1 1 391.833 1.466 20 5 GDBDMM O=C1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C2(CCC2)N1 ZINC000289944810 532334457 /nfs/dbraw/zinc/33/44/57/532334457.db2.gz SDVSGDCLMUBMFY-GFCCVEGCSA-N -1 1 391.808 1.867 20 5 GDBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737374222 599137061 /nfs/dbraw/zinc/13/70/61/599137061.db2.gz ZCXOKXLZNHCELE-UHFFFAOYSA-N -1 1 383.324 1.274 20 5 GDBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737374222 599137062 /nfs/dbraw/zinc/13/70/62/599137062.db2.gz ZCXOKXLZNHCELE-UHFFFAOYSA-N -1 1 383.324 1.274 20 5 GDBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000738367346 598259842 /nfs/dbraw/zinc/25/98/42/598259842.db2.gz RETKGSVHCLAPGK-UHFFFAOYSA-N -1 1 382.745 1.591 20 5 GDBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC000738367346 598259844 /nfs/dbraw/zinc/25/98/44/598259844.db2.gz RETKGSVHCLAPGK-UHFFFAOYSA-N -1 1 382.745 1.591 20 5 GDBDMM CCc1nn(C[C@H](O)c2cccc([N+](=O)[O-])c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825762777 607530957 /nfs/dbraw/zinc/53/09/57/607530957.db2.gz IIATZLUPNCRMRG-AWEZNQCLSA-N -1 1 385.384 1.190 20 5 GDBDMM O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826501774 607544943 /nfs/dbraw/zinc/54/49/43/607544943.db2.gz GSXOUNRTDGESPW-UHFFFAOYSA-N -1 1 376.336 1.442 20 5 GDBDMM O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826501774 607544944 /nfs/dbraw/zinc/54/49/44/607544944.db2.gz GSXOUNRTDGESPW-UHFFFAOYSA-N -1 1 376.336 1.442 20 5 GDBDMM Cc1cc(N2CCN(C[C@H]3CN(C)CCO3)C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890708 602317229 /nfs/dbraw/zinc/31/72/29/602317229.db2.gz AUONLQAIVHGCOW-GOEBONIOSA-N -1 1 392.456 1.443 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826500496 607597964 /nfs/dbraw/zinc/59/79/64/607597964.db2.gz ZYMGUESSPDJSQZ-RYUDHWBXSA-N -1 1 386.393 1.609 20 5 GDBDMM Cc1cccc(S(=O)(=O)Oc2cc(C=O)ccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826303883 607602428 /nfs/dbraw/zinc/60/24/28/607602428.db2.gz KMBKCGSMDOKBHM-UHFFFAOYSA-N -1 1 389.349 1.664 20 5 GDBDMM O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826500343 607651430 /nfs/dbraw/zinc/65/14/30/607651430.db2.gz UYHMLGOHZHWULJ-UHFFFAOYSA-N -1 1 392.372 1.435 20 5 GDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000833628901 605189649 /nfs/dbraw/zinc/18/96/49/605189649.db2.gz QAKWNLCFUONCAW-NSHDSACASA-N -1 1 384.820 1.668 20 5 GDBDMM C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1CCC(=O)[O-] ZINC000833619716 605250620 /nfs/dbraw/zinc/25/06/20/605250620.db2.gz DNWIXUQDUGDCJC-GFCCVEGCSA-N -1 1 376.413 1.790 20 5 GDBDMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000834185879 605436608 /nfs/dbraw/zinc/43/66/08/605436608.db2.gz IJPHNUIVWSEVSJ-NUEKZKHPSA-N -1 1 388.424 1.852 20 5 GDBDMM CO[C@H]1CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@H](OC)C3)c2)C1 ZINC000821697771 606426251 /nfs/dbraw/zinc/42/62/51/606426251.db2.gz QSJRZCBWAYAWSE-STQMWFEESA-N -1 1 389.416 1.225 20 5 GDBDMM CO[C@H]1CCN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3CC[C@H](OC)C3)c2)C1 ZINC000821697771 606426253 /nfs/dbraw/zinc/42/62/53/606426253.db2.gz QSJRZCBWAYAWSE-STQMWFEESA-N -1 1 389.416 1.225 20 5 GDBDMM Cc1nc(CN2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)oc1C ZINC000822440668 606708770 /nfs/dbraw/zinc/70/87/70/606708770.db2.gz OLQSSSLNGVEJDD-UHFFFAOYSA-N -1 1 399.415 1.487 20 5 GDBDMM Cc1nc(CN2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)oc1C ZINC000822440668 606708772 /nfs/dbraw/zinc/70/87/72/606708772.db2.gz OLQSSSLNGVEJDD-UHFFFAOYSA-N -1 1 399.415 1.487 20 5 GDBDMM COC(=O)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(C)cc1 ZINC000821640783 606709925 /nfs/dbraw/zinc/70/99/25/606709925.db2.gz ORPYHPHMUKCFER-ZDUSSCGKSA-N -1 1 383.368 1.847 20 5 GDBDMM COC(=O)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(C)cc1 ZINC000821640783 606709927 /nfs/dbraw/zinc/70/99/27/606709927.db2.gz ORPYHPHMUKCFER-ZDUSSCGKSA-N -1 1 383.368 1.847 20 5 GDBDMM COC(=O)COc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821662395 606711390 /nfs/dbraw/zinc/71/13/90/606711390.db2.gz AEBBDBDUBZISTD-UHFFFAOYSA-N -1 1 385.340 1.334 20 5 GDBDMM COC(=O)COc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821662395 606711391 /nfs/dbraw/zinc/71/13/91/606711391.db2.gz AEBBDBDUBZISTD-UHFFFAOYSA-N -1 1 385.340 1.334 20 5 GDBDMM CC(C)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000820045608 606733665 /nfs/dbraw/zinc/73/36/65/606733665.db2.gz OFXOKLAIAULIOZ-UHFFFAOYSA-N -1 1 380.430 1.832 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC000823646953 606735741 /nfs/dbraw/zinc/73/57/41/606735741.db2.gz DVDZKSSBQQPLHZ-MNOVXSKESA-N -1 1 378.414 1.728 20 5 GDBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000820804209 606780990 /nfs/dbraw/zinc/78/09/90/606780990.db2.gz NWZYCVWTWLPVTI-SNVBAGLBSA-N -1 1 387.429 1.337 20 5 GDBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000820804209 606780992 /nfs/dbraw/zinc/78/09/92/606780992.db2.gz NWZYCVWTWLPVTI-SNVBAGLBSA-N -1 1 387.429 1.337 20 5 GDBDMM O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000823645233 606841376 /nfs/dbraw/zinc/84/13/76/606841376.db2.gz QAWLJDJBTRHQRW-UHFFFAOYSA-N -1 1 390.356 1.665 20 5 GDBDMM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820814707 607153372 /nfs/dbraw/zinc/15/33/72/607153372.db2.gz XOXMYXGJLCYHSV-JTQLQIEISA-N -1 1 386.393 1.915 20 5 GDBDMM O=C1CCCN1c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000823530445 607165413 /nfs/dbraw/zinc/16/54/13/607165413.db2.gz KEFSRDDAICODSC-UHFFFAOYSA-N -1 1 380.368 1.909 20 5 GDBDMM O=C1CCCN1c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000823530445 607165414 /nfs/dbraw/zinc/16/54/14/607165414.db2.gz KEFSRDDAICODSC-UHFFFAOYSA-N -1 1 380.368 1.909 20 5 GDBDMM Cc1noc([C@H](C)N2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)n1 ZINC000826338350 607841378 /nfs/dbraw/zinc/84/13/78/607841378.db2.gz SNQIUHDYAADUMT-JTQLQIEISA-N -1 1 385.388 1.350 20 5 GDBDMM Cc1noc([C@H](C)N2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)n1 ZINC000826338350 607841379 /nfs/dbraw/zinc/84/13/79/607841379.db2.gz SNQIUHDYAADUMT-JTQLQIEISA-N -1 1 385.388 1.350 20 5 GDBDMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826211815 607867824 /nfs/dbraw/zinc/86/78/24/607867824.db2.gz VTBUQVNJMFFFLA-UHFFFAOYSA-N -1 1 395.328 1.690 20 5 GDBDMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826211815 607867825 /nfs/dbraw/zinc/86/78/25/607867825.db2.gz VTBUQVNJMFFFLA-UHFFFAOYSA-N -1 1 395.328 1.690 20 5 GDBDMM CCC1(O)CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000825176367 608246929 /nfs/dbraw/zinc/24/69/29/608246929.db2.gz QTZCMROZWMVOBO-UHFFFAOYSA-N -1 1 396.429 1.137 20 5 GDBDMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824641775 608426302 /nfs/dbraw/zinc/42/63/02/608426302.db2.gz YWQIYICZQVULFP-SECBINFHSA-N -1 1 392.372 1.954 20 5 GDBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000826451287 609294063 /nfs/dbraw/zinc/29/40/63/609294063.db2.gz ZGAWAGGBBLHDKP-UHFFFAOYSA-N -1 1 384.337 1.738 20 5 GDBDMM CC(C)n1cnnc1C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000824377834 609426914 /nfs/dbraw/zinc/42/69/14/609426914.db2.gz OULMYUIVRLXLKS-UHFFFAOYSA-N -1 1 384.404 1.726 20 5 GDBDMM CC(C)n1cnnc1C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000824377834 609426916 /nfs/dbraw/zinc/42/69/16/609426916.db2.gz OULMYUIVRLXLKS-UHFFFAOYSA-N -1 1 384.404 1.726 20 5 GDBDMM 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KTNAPJOTRIQKSM-STQMWFEESA-N -1 1 384.356 1.707 20 5 GDBDMM O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823392017 607133779 /nfs/dbraw/zinc/13/37/79/607133779.db2.gz KTNAPJOTRIQKSM-STQMWFEESA-N -1 1 384.356 1.707 20 5 GDBDMM CN(Cc1cnn(-c2ccccc2)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821617090 607164373 /nfs/dbraw/zinc/16/43/73/607164373.db2.gz WKULMYCFPABEIY-UHFFFAOYSA-N -1 1 377.368 1.992 20 5 GDBDMM CN(Cc1cnn(-c2ccccc2)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821617090 607164376 /nfs/dbraw/zinc/16/43/76/607164376.db2.gz WKULMYCFPABEIY-UHFFFAOYSA-N -1 1 377.368 1.992 20 5 GDBDMM CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824199321 607818433 /nfs/dbraw/zinc/81/84/33/607818433.db2.gz HYDJTTJFKRSCJD-ZDUSSCGKSA-N -1 1 398.445 1.096 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3ccsc3C2)c1-c1nn[n-]n1 ZINC000826500199 608026766 /nfs/dbraw/zinc/02/67/66/608026766.db2.gz ODPIOXUSKDLOPH-UHFFFAOYSA-N -1 1 392.422 1.583 20 5 GDBDMM Cc1sc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826349297 608213386 /nfs/dbraw/zinc/21/33/86/608213386.db2.gz CTPXXEIHLSVHQL-UHFFFAOYSA-N -1 1 391.417 1.155 20 5 GDBDMM Cc1sc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826349297 608213388 /nfs/dbraw/zinc/21/33/88/608213388.db2.gz CTPXXEIHLSVHQL-UHFFFAOYSA-N -1 1 391.417 1.155 20 5 GDBDMM CC(C)(C)c1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(-c2nnn[n-]2)s1 ZINC000824131277 608346012 /nfs/dbraw/zinc/34/60/12/608346012.db2.gz YSZXDMHEBINWAH-UHFFFAOYSA-N -1 1 377.390 1.364 20 5 GDBDMM CC(C)(C)c1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(-c2nn[n-]n2)s1 ZINC000824131277 608346014 /nfs/dbraw/zinc/34/60/14/608346014.db2.gz YSZXDMHEBINWAH-UHFFFAOYSA-N -1 1 377.390 1.364 20 5 GDBDMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824891504 608447375 /nfs/dbraw/zinc/44/73/75/608447375.db2.gz AMLRWMLTTPOBTL-ILWJIGKKSA-N -1 1 382.402 1.009 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cc(Cl)ccn2)c1-c1nn[n-]n1 ZINC000826499975 608568422 /nfs/dbraw/zinc/56/84/22/608568422.db2.gz HBGZPVCKQDXWKF-UHFFFAOYSA-N -1 1 395.788 1.302 20 5 GDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000826357715 609393272 /nfs/dbraw/zinc/39/32/72/609393272.db2.gz OMULEWGWEUMAIO-UHFFFAOYSA-N -1 1 380.271 1.362 20 5 GDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000826357715 609393275 /nfs/dbraw/zinc/39/32/75/609393275.db2.gz OMULEWGWEUMAIO-UHFFFAOYSA-N -1 1 380.271 1.362 20 5 GDBDMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000826210133 609455309 /nfs/dbraw/zinc/45/53/09/609455309.db2.gz FUYXASDVUXYAMU-UHFFFAOYSA-N -1 1 376.354 1.584 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)c([N+](=O)[O-])n1 ZINC000533174639 650045048 /nfs/dbraw/zinc/04/50/48/650045048.db2.gz XMNCSCGLKOBHCR-UHFFFAOYSA-N -1 1 376.341 1.891 20 5 GDBDMM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000536131900 650264697 /nfs/dbraw/zinc/26/46/97/650264697.db2.gz KWNFDMKXEMGFSE-UHFFFAOYSA-N -1 1 387.757 1.936 20 5 GDBDMM CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000175339197 644905595 /nfs/dbraw/zinc/90/55/95/644905595.db2.gz CUYISWMRLXDWGF-JTQLQIEISA-N -1 1 375.834 1.926 20 5 GDBDMM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000194339764 645060443 /nfs/dbraw/zinc/06/04/43/645060443.db2.gz LALBWGBLDXMEMZ-VXGBXAGGSA-N -1 1 375.422 1.512 20 5 GDBDMM O=C1CCCC(=O)N1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000466875836 647622289 /nfs/dbraw/zinc/62/22/89/647622289.db2.gz ZZCGOWICPREUQK-UHFFFAOYSA-N -1 1 375.790 1.066 20 5 GDBDMM Cn1ccnc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000501994601 648150881 /nfs/dbraw/zinc/15/08/81/648150881.db2.gz OXXBEVBUENTSSV-UHFFFAOYSA-N -1 1 375.204 1.569 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCn2cc(Br)cn2)s1 ZINC000511429374 648377906 /nfs/dbraw/zinc/37/79/06/648377906.db2.gz LPLFTDRBSCNQPS-UHFFFAOYSA-N -1 1 381.233 1.594 20 5 GDBDMM O=C1CCCCN1CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517372969 648565704 /nfs/dbraw/zinc/56/57/04/648565704.db2.gz IRBDVUVNMMYECA-UHFFFAOYSA-N -1 1 375.834 1.929 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H](O)C12CCC2 ZINC000594866657 652382452 /nfs/dbraw/zinc/38/24/52/652382452.db2.gz XHTUEJMNFNSUKM-VXGBXAGGSA-N -1 1 391.243 1.939 20 5 GDBDMM COc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1OCCO ZINC000768815089 654432791 /nfs/dbraw/zinc/43/27/91/654432791.db2.gz GSZDPCGTMVEYQW-UHFFFAOYSA-N -1 1 388.423 1.515 20 5 GDBDMM O=C([O-])c1csc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000776639737 654701972 /nfs/dbraw/zinc/70/19/72/654701972.db2.gz CUKPNAHHFHCMBP-UHFFFAOYSA-N -1 1 377.787 1.881 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)c1 ZINC000751150475 654874578 /nfs/dbraw/zinc/87/45/78/654874578.db2.gz GGRJSJAUISCVHS-QMMMGPOBSA-N -1 1 393.137 1.559 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785366928 654915168 /nfs/dbraw/zinc/91/51/68/654915168.db2.gz QQRFQNKGSBJQRH-RTHLEPHNSA-N -1 1 386.407 1.785 20 5 GDBDMM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000831778061 654996864 /nfs/dbraw/zinc/99/68/64/654996864.db2.gz JACWSZYBNVHRNE-LBPRGKRZSA-N -1 1 397.247 1.423 20 5 GDBDMM Cn1cnc(S(=O)(=O)[N-]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1Cl ZINC000808351066 655107428 /nfs/dbraw/zinc/10/74/28/655107428.db2.gz JYXPSJFXWWJNDL-UHFFFAOYSA-N -1 1 383.817 1.984 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)COCC2CC2)c(Cl)cc1Cl ZINC000809819078 655138197 /nfs/dbraw/zinc/13/81/97/655138197.db2.gz MHHZDGQFRQVKMF-SECBINFHSA-N -1 1 399.252 1.967 20 5 GDBDMM CC(C)C(=O)NCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809827530 655139268 /nfs/dbraw/zinc/13/92/68/655139268.db2.gz CQMGGHUXFIBLDF-UHFFFAOYSA-N -1 1 381.813 1.828 20 5 GDBDMM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809831396 655140047 /nfs/dbraw/zinc/14/00/47/655140047.db2.gz UINCILNZRHNFHO-PWSUYJOCSA-N -1 1 382.797 1.860 20 5 GDBDMM CCN1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000809842407 655141833 /nfs/dbraw/zinc/14/18/33/655141833.db2.gz FUBUQDMXRAMLAX-VIFPVBQESA-N -1 1 382.225 1.801 20 5 GDBDMM NS(=O)(=O)c1cc(Cl)cc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000798637559 655274072 /nfs/dbraw/zinc/27/40/72/655274072.db2.gz VFWFDRAORXRKBA-UHFFFAOYSA-N -1 1 386.769 1.958 20 5 GDBDMM O=C1CCCN1CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814982189 655276600 /nfs/dbraw/zinc/27/66/00/655276600.db2.gz ZXMVQLLPHXBZNF-UHFFFAOYSA-N -1 1 379.797 1.678 20 5 GDBDMM C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814996870 655277067 /nfs/dbraw/zinc/27/70/67/655277067.db2.gz XQSQQHDBRPCGAN-QMMMGPOBSA-N -1 1 379.797 1.677 20 5 GDBDMM Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC2 ZINC000815010576 655277497 /nfs/dbraw/zinc/27/74/97/655277497.db2.gz LUSXGSBAYOQCJT-MRVPVSSYSA-N -1 1 389.796 1.581 20 5 GDBDMM CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815024781 655279538 /nfs/dbraw/zinc/27/95/38/655279538.db2.gz MMQDCHQFUQSZPL-QMMMGPOBSA-N -1 1 379.797 1.677 20 5 GDBDMM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815024780 655279578 /nfs/dbraw/zinc/27/95/78/655279578.db2.gz MMQDCHQFUQSZPL-MRVPVSSYSA-N -1 1 379.797 1.677 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000815028217 655280380 /nfs/dbraw/zinc/28/03/80/655280380.db2.gz UKZPXJWVNGSBHX-PRHODGIISA-N -1 1 381.813 1.385 20 5 GDBDMM CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815029374 655280591 /nfs/dbraw/zinc/28/05/91/655280591.db2.gz NRPVCUMJIAMZOE-XVKPBYJWSA-N -1 1 379.797 1.580 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1ccccn1 ZINC000815030496 655280837 /nfs/dbraw/zinc/28/08/37/655280837.db2.gz AARXQKIJESNCAH-LBPRGKRZSA-N -1 1 375.765 1.794 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])NCC(F)F ZINC000815042755 655283262 /nfs/dbraw/zinc/28/32/62/655283262.db2.gz OUZJAAKQBVEAKS-UHFFFAOYSA-N -1 1 375.712 1.047 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cs1 ZINC000767621797 655299304 /nfs/dbraw/zinc/29/93/04/655299304.db2.gz CKJOPPHDFYMDSS-UHFFFAOYSA-N -1 1 383.367 1.919 20 5 GDBDMM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000841545077 655342761 /nfs/dbraw/zinc/34/27/61/655342761.db2.gz RZEOPMQOPQAXRV-VIFPVBQESA-N -1 1 395.224 1.647 20 5 GDBDMM CC(C)(C)C[C@@H](O)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000821247734 655424986 /nfs/dbraw/zinc/42/49/86/655424986.db2.gz IHYSRLHHQJQMAH-MNOVXSKESA-N -1 1 378.378 1.263 20 5 GDBDMM NC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000845986407 655441930 /nfs/dbraw/zinc/44/19/30/655441930.db2.gz VXPYLHHVSUJLHD-OLQVQODUSA-N -1 1 396.194 1.039 20 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CC(C)Oc1nc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001591810127 976039915 /nfs/dbraw/zinc/03/99/15/976039915.db2.gz SQYYYRFYKYAZLG-KRWDZBQOSA-N -1 1 380.401 1.143 20 5 GDBDMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001595453201 981118091 /nfs/dbraw/zinc/11/80/91/981118091.db2.gz NQCPUDLFMDMXMX-LBPRGKRZSA-N -1 1 385.442 1.836 20 5 GDBDMM COc1cc(CNC2(CC(=O)[O-])CCS(=O)(=O)CC2)c([N+](=O)[O-])cc1F ZINC001599415002 997490799 /nfs/dbraw/zinc/49/07/99/997490799.db2.gz CUZBZIBTOMVQMS-UHFFFAOYSA-N -1 1 390.389 1.254 20 5 GDBDMM C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001594345158 999305328 /nfs/dbraw/zinc/30/53/28/999305328.db2.gz NYGRIGNXDSQMEC-VXGBXAGGSA-N -1 1 385.442 1.834 20 5 GDBDMM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC001594412076 999538907 /nfs/dbraw/zinc/53/89/07/999538907.db2.gz GLLFSZSWGMHKSF-GFCCVEGCSA-N -1 1 385.442 1.692 20 5 GDBDMM 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/nfs/dbraw/zinc/56/85/94/599568594.db2.gz VBRIVZJMJQXVJQ-RHYQMDGZSA-N -1 1 393.448 1.633 20 5 GDBDMM Cc1cc(N2CCN(C[C@@H]3CN(C)CCO3)C[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890715 602317277 /nfs/dbraw/zinc/31/72/77/602317277.db2.gz AUONLQAIVHGCOW-ZBFHGGJFSA-N -1 1 392.456 1.443 20 5 GDBDMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H]1C ZINC000824925219 607574683 /nfs/dbraw/zinc/57/46/83/607574683.db2.gz BSQOKYLMIDHCAL-VWYCJHECSA-N -1 1 380.430 1.878 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC000826500276 607593546 /nfs/dbraw/zinc/59/35/46/607593546.db2.gz RMTDQNKAFYRKMJ-UHFFFAOYSA-N -1 1 395.788 1.302 20 5 GDBDMM O=[N+]([O-])c1ccc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826498129 607597099 /nfs/dbraw/zinc/59/70/99/607597099.db2.gz IILJNBFRZMVIQK-UHFFFAOYSA-N -1 1 392.372 1.435 20 5 GDBDMM O=[N+]([O-])c1ccc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826498129 607597100 /nfs/dbraw/zinc/59/71/00/607597100.db2.gz 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CCOC(=O)c1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000821337096 606650267 /nfs/dbraw/zinc/65/02/67/606650267.db2.gz BAUXBZYYVHLGOP-UHFFFAOYSA-N -1 1 398.335 1.704 20 5 GDBDMM CC(C)(C)OC(=O)N(CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CC1 ZINC000819927999 606706390 /nfs/dbraw/zinc/70/63/90/606706390.db2.gz FSMRHZPJIWMMIC-UHFFFAOYSA-N -1 1 390.404 1.981 20 5 GDBDMM CC(C)(C)OC(=O)N(CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CC1 ZINC000819927999 606706393 /nfs/dbraw/zinc/70/63/93/606706393.db2.gz FSMRHZPJIWMMIC-UHFFFAOYSA-N -1 1 390.404 1.981 20 5 GDBDMM CN(CC(=O)Nc1cc(F)cc(F)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821593938 606708134 /nfs/dbraw/zinc/70/81/34/606708134.db2.gz QXVCEQUNDBSOSK-UHFFFAOYSA-N -1 1 390.310 1.523 20 5 GDBDMM CN(CC(=O)Nc1cc(F)cc(F)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821593938 606708136 /nfs/dbraw/zinc/70/81/36/606708136.db2.gz QXVCEQUNDBSOSK-UHFFFAOYSA-N -1 1 390.310 1.523 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccnc(OC2CCOCC2)c1 ZINC000823625503 606711989 /nfs/dbraw/zinc/71/19/89/606711989.db2.gz WWDVHEKVFNOHFO-UHFFFAOYSA-N -1 1 398.383 1.735 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccnc(OC2CCOCC2)c1 ZINC000823625503 606711991 /nfs/dbraw/zinc/71/19/91/606711991.db2.gz WWDVHEKVFNOHFO-UHFFFAOYSA-N -1 1 398.383 1.735 20 5 GDBDMM CC(C)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820038453 606733373 /nfs/dbraw/zinc/73/33/73/606733373.db2.gz OHBMSMUZSOPQON-LLVKDONJSA-N -1 1 380.430 1.974 20 5 GDBDMM CC(C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820067053 606735472 /nfs/dbraw/zinc/73/54/72/606735472.db2.gz BCMOYALLVCXZKX-NSHDSACASA-N -1 1 380.430 1.832 20 5 GDBDMM C[C@@H]1CN(c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000820777248 607168343 /nfs/dbraw/zinc/16/83/43/607168343.db2.gz QKBRFYKNTVXXOU-GHMZBOCLSA-N -1 1 397.399 1.922 20 5 GDBDMM C[C@@H]1CN(c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000820777248 607168345 /nfs/dbraw/zinc/16/83/45/607168345.db2.gz QKBRFYKNTVXXOU-GHMZBOCLSA-N -1 1 397.399 1.922 20 5 GDBDMM Cc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826292166 607866787 /nfs/dbraw/zinc/86/67/87/607866787.db2.gz KOIWXOYRJUENNC-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825147918 607906893 /nfs/dbraw/zinc/90/68/93/607906893.db2.gz MDSWICPEZNPOEV-ONGXEEELSA-N -1 1 382.402 1.011 20 5 GDBDMM CC(C)[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824214979 608248521 /nfs/dbraw/zinc/24/85/21/608248521.db2.gz IZRHSHCCUUAJMC-ZYHUDNBSSA-N -1 1 396.429 1.257 20 5 GDBDMM C[C@H]1CC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824891507 608447685 /nfs/dbraw/zinc/44/76/85/608447685.db2.gz AMLRWMLTTPOBTL-IUCAKERBSA-N -1 1 382.402 1.009 20 5 GDBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826293283 608557477 /nfs/dbraw/zinc/55/74/77/608557477.db2.gz 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COC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000264032258 531166121 /nfs/dbraw/zinc/16/61/21/531166121.db2.gz AXMARKIOAQWNCV-UHFFFAOYSA-N -1 1 381.204 1.587 20 5 GDBDMM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000277487360 531287267 /nfs/dbraw/zinc/28/72/67/531287267.db2.gz DEBLSQWFJJDEJN-JTQLQIEISA-N -1 1 385.211 1.792 20 5 GDBDMM C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000278851097 531396448 /nfs/dbraw/zinc/39/64/48/531396448.db2.gz WXBAFWQFPLLGDR-PRHODGIISA-N -1 1 395.231 1.176 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H](CO)[C@H]1CCCO1 ZINC000447928340 531441663 /nfs/dbraw/zinc/44/16/63/531441663.db2.gz HEPUNMSJJITABW-GXSJLCMTSA-N -1 1 395.231 1.176 20 5 GDBDMM CCOC(=O)c1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000581686025 531509820 /nfs/dbraw/zinc/50/98/20/531509820.db2.gz JUOLCMGSVQEODX-UHFFFAOYSA-N -1 1 383.158 2.509 20 5 GDBDMM CCS(=O)(=O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295733987 531618795 /nfs/dbraw/zinc/61/87/95/531618795.db2.gz PDEUPXGRCCBKOX-UHFFFAOYSA-N -1 1 391.254 1.615 20 5 GDBDMM CC[C@](COC)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000416515057 531656849 /nfs/dbraw/zinc/65/68/49/531656849.db2.gz KJODIIUDQSJDMC-CYBMUJFWSA-N -1 1 380.806 1.495 20 5 GDBDMM CN(C)C(=O)C1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000416592749 531695000 /nfs/dbraw/zinc/69/50/00/531695000.db2.gz OQVOJTHURAQEOD-UHFFFAOYSA-N -1 1 392.231 1.256 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC[C@@H](CO)O2)c1Cl ZINC000297026812 531751415 /nfs/dbraw/zinc/75/14/15/531751415.db2.gz KWRZOGMKGPCQRN-SFYZADRCSA-N -1 1 385.225 1.720 20 5 GDBDMM O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000599722188 532038427 /nfs/dbraw/zinc/03/84/27/532038427.db2.gz RAIDZDLXQYWDIM-QMMMGPOBSA-N -1 1 381.190 1.890 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ncn(C)n1 ZINC000275593024 532301487 /nfs/dbraw/zinc/30/14/87/532301487.db2.gz DRWJCLBKCDDLCC-SSDOTTSWSA-N -1 1 379.320 1.782 20 5 GDBDMM O=C1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000289882683 532333440 /nfs/dbraw/zinc/33/34/40/532333440.db2.gz ONNASVADYSOXEO-QMMMGPOBSA-N -1 1 391.808 1.677 20 5 GDBDMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000737301740 598930608 /nfs/dbraw/zinc/93/06/08/598930608.db2.gz ROCDDOAUOVIOFR-UHFFFAOYSA-N -1 1 375.370 1.466 20 5 GDBDMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736159882 599140545 /nfs/dbraw/zinc/14/05/45/599140545.db2.gz YONMHYVCKFFBHS-VIFPVBQESA-N -1 1 383.324 1.354 20 5 GDBDMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736159882 599140546 /nfs/dbraw/zinc/14/05/46/599140546.db2.gz YONMHYVCKFFBHS-VIFPVBQESA-N -1 1 383.324 1.354 20 5 GDBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738271255 599410715 /nfs/dbraw/zinc/41/07/15/599410715.db2.gz UADITPRVUZKGGJ-UHFFFAOYSA-N -1 1 386.397 1.194 20 5 GDBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738271255 599410718 /nfs/dbraw/zinc/41/07/18/599410718.db2.gz UADITPRVUZKGGJ-UHFFFAOYSA-N -1 1 386.397 1.194 20 5 GDBDMM C[C@H](C[N@@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1)C(=O)[O-] ZINC000736578892 599933275 /nfs/dbraw/zinc/93/32/75/599933275.db2.gz PQAWSVRBJVLEOB-LLVKDONJSA-N -1 1 376.369 1.506 20 5 GDBDMM C[C@H](CN(CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1)C(=O)[O-] ZINC000736578892 599933277 /nfs/dbraw/zinc/93/32/77/599933277.db2.gz PQAWSVRBJVLEOB-LLVKDONJSA-N -1 1 376.369 1.506 20 5 GDBDMM O=C([O-])C1(NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000739307231 600320696 /nfs/dbraw/zinc/32/06/96/600320696.db2.gz KCHXUSAIIKCUJC-UHFFFAOYSA-N -1 1 390.440 1.621 20 5 GDBDMM C[C@H](NC(=O)c1ccc(N2CCN(C3CCC3)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657469 600637634 /nfs/dbraw/zinc/63/76/34/600637634.db2.gz SGZARFWHSVUMBE-LBPRGKRZSA-N -1 1 376.413 1.472 20 5 GDBDMM COCC(=O)Nc1cccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC000821680599 607496147 /nfs/dbraw/zinc/49/61/47/607496147.db2.gz OBQHSQPJNZKYRE-UHFFFAOYSA-N -1 1 383.368 1.972 20 5 GDBDMM CCN(CC)C(=O)CN1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000829653897 601544769 /nfs/dbraw/zinc/54/47/69/601544769.db2.gz HYJXTHGPZQECBY-UHFFFAOYSA-N -1 1 392.456 1.982 20 5 GDBDMM CN(Cc1cn(C)nc1C(F)(F)F)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825991490 607540804 /nfs/dbraw/zinc/54/08/04/607540804.db2.gz BUETXXNWKWSUCY-UHFFFAOYSA-N -1 1 383.294 1.559 20 5 GDBDMM CN(Cc1cn(C)nc1C(F)(F)F)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825991490 607540805 /nfs/dbraw/zinc/54/08/05/607540805.db2.gz BUETXXNWKWSUCY-UHFFFAOYSA-N -1 1 383.294 1.559 20 5 GDBDMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826236116 607602576 /nfs/dbraw/zinc/60/25/76/607602576.db2.gz YZAQHRXRSKVWPS-UHFFFAOYSA-N -1 1 385.296 1.744 20 5 GDBDMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826236116 607602577 /nfs/dbraw/zinc/60/25/77/607602577.db2.gz YZAQHRXRSKVWPS-UHFFFAOYSA-N -1 1 385.296 1.744 20 5 GDBDMM Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c(C=O)n1 ZINC000826292900 607608576 /nfs/dbraw/zinc/60/85/76/607608576.db2.gz RMBFTWLJJLKRHA-UHFFFAOYSA-N -1 1 390.337 1.059 20 5 GDBDMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H](C)C1 ZINC000824919793 607615013 /nfs/dbraw/zinc/61/50/13/607615013.db2.gz YVSYVSRRCPHFJE-GMTAPVOTSA-N -1 1 380.430 1.878 20 5 GDBDMM COCc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000826164741 607615192 /nfs/dbraw/zinc/61/51/92/607615192.db2.gz NYGFZWTXUYBXCE-UHFFFAOYSA-N -1 1 391.365 1.689 20 5 GDBDMM CC[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825154455 607633646 /nfs/dbraw/zinc/63/36/46/607633646.db2.gz PGCZZOPETUFIFU-PWSUYJOCSA-N -1 1 396.429 1.089 20 5 GDBDMM CC(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824230047 607661674 /nfs/dbraw/zinc/66/16/74/607661674.db2.gz YOSNBGDSAIWVLL-HZMBPMFUSA-N -1 1 396.429 1.114 20 5 GDBDMM C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833608914 605394385 /nfs/dbraw/zinc/39/43/85/605394385.db2.gz CKOQOEGJHVLQFT-VXGBXAGGSA-N -1 1 385.442 1.834 20 5 GDBDMM Cc1csc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C[C@@H]2C)n1 ZINC000822414523 606708621 /nfs/dbraw/zinc/70/86/21/606708621.db2.gz JBBOTLGTFBALJY-JTQLQIEISA-N -1 1 387.429 1.650 20 5 GDBDMM Cc1csc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C[C@@H]2C)n1 ZINC000822414523 606708624 /nfs/dbraw/zinc/70/86/24/606708624.db2.gz JBBOTLGTFBALJY-JTQLQIEISA-N -1 1 387.429 1.650 20 5 GDBDMM Cc1nc(C)n(C[C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)n1 ZINC000822431636 606708882 /nfs/dbraw/zinc/70/88/82/606708882.db2.gz CTWNTZHXHXMKQA-GFCCVEGCSA-N -1 1 384.404 1.295 20 5 GDBDMM Cc1nc(C)n(C[C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)n1 ZINC000822431636 606708884 /nfs/dbraw/zinc/70/88/84/606708884.db2.gz CTWNTZHXHXMKQA-GFCCVEGCSA-N -1 1 384.404 1.295 20 5 GDBDMM C[C@@H](O)CNC(=O)c1cccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820480226 606710413 /nfs/dbraw/zinc/71/04/13/606710413.db2.gz HADVJUZCSBDKFR-SECBINFHSA-N -1 1 385.340 1.073 20 5 GDBDMM C[C@@H](O)CNC(=O)c1cccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820480226 606710414 /nfs/dbraw/zinc/71/04/14/606710414.db2.gz HADVJUZCSBDKFR-SECBINFHSA-N -1 1 385.340 1.073 20 5 GDBDMM CN(Cc1ccccc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821614326 606731344 /nfs/dbraw/zinc/73/13/44/606731344.db2.gz AKVMOOIDKINBPF-UHFFFAOYSA-N -1 1 392.372 1.735 20 5 GDBDMM Cc1ccc([N+](=O)[O-])c(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822271319 606808065 /nfs/dbraw/zinc/80/80/65/606808065.db2.gz XAROKLGIGIJDDX-LBPRGKRZSA-N -1 1 381.400 1.588 20 5 GDBDMM Cc1ccc([N+](=O)[O-])c(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822271319 606808066 /nfs/dbraw/zinc/80/80/66/606808066.db2.gz XAROKLGIGIJDDX-LBPRGKRZSA-N -1 1 381.400 1.588 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3ccc(F)cc32)c1-c1nn[n-]n1 ZINC000823648410 607156045 /nfs/dbraw/zinc/15/60/45/607156045.db2.gz WIWNDJKLDKLFJJ-UHFFFAOYSA-N -1 1 390.356 1.665 20 5 GDBDMM O=C(NCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000823206069 607165874 /nfs/dbraw/zinc/16/58/74/607165874.db2.gz INVCCKOMOJHCGD-UHFFFAOYSA-N -1 1 388.775 1.665 20 5 GDBDMM O=C(NCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000823206069 607165876 /nfs/dbraw/zinc/16/58/76/607165876.db2.gz INVCCKOMOJHCGD-UHFFFAOYSA-N -1 1 388.775 1.665 20 5 GDBDMM Cc1nn(-c2ccccc2)c(Cn2cc([N+](=O)[O-])cc(C)c2=O)c1-c1nn[n-]n1 ZINC000822486789 607170740 /nfs/dbraw/zinc/17/07/40/607170740.db2.gz SHIMQJOHQZKORM-UHFFFAOYSA-N -1 1 392.379 1.787 20 5 GDBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820507687 607204952 /nfs/dbraw/zinc/20/49/52/607204952.db2.gz JLNUUKPJHNHBRT-VIFPVBQESA-N -1 1 398.335 1.665 20 5 GDBDMM COc1ccc(OC)c2c1CN(c1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)C[C@@H]2O ZINC000826210840 607839142 /nfs/dbraw/zinc/83/91/42/607839142.db2.gz HBFHUHODKWWHMF-AWEZNQCLSA-N -1 1 398.379 1.846 20 5 GDBDMM Nc1n[nH]c(CCCNc2ncnc3cccc([N+](=O)[O-])c32)c1-c1nn[n-]n1 ZINC000826395139 609212762 /nfs/dbraw/zinc/21/27/62/609212762.db2.gz OJWXGTZNLXJWTJ-UHFFFAOYSA-N -1 1 381.360 1.068 20 5 GDBDMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000826458637 609314559 /nfs/dbraw/zinc/31/45/59/609314559.db2.gz ZAYZEIITJQPVDS-UHFFFAOYSA-N -1 1 383.303 1.680 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)c([N+](=O)[O-])n1 ZINC000533632140 650211192 /nfs/dbraw/zinc/21/11/92/650211192.db2.gz GNKPMEDRCNVSLO-SNVBAGLBSA-N -1 1 376.341 1.101 20 5 GDBDMM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000194339739 645060156 /nfs/dbraw/zinc/06/01/56/645060156.db2.gz LALBWGBLDXMEMZ-TXEJJXNPSA-N -1 1 375.422 1.512 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])n1 ZINC000490551661 647989304 /nfs/dbraw/zinc/98/93/04/647989304.db2.gz RKKKYWQRUOYMCI-NOZJJQNGSA-N -1 1 386.455 1.854 20 5 GDBDMM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000579637610 651873607 /nfs/dbraw/zinc/87/36/07/651873607.db2.gz IGIMRPQFCKTMAZ-VIFPVBQESA-N -1 1 381.863 1.394 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000594473841 652302558 /nfs/dbraw/zinc/30/25/58/652302558.db2.gz OXVWEXUCJAOPJZ-SNVBAGLBSA-N -1 1 387.805 1.696 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1(CO)CC1 ZINC000594827363 652375156 /nfs/dbraw/zinc/37/51/56/652375156.db2.gz OVOJYKPHHPRWIN-MRVPVSSYSA-N -1 1 379.232 1.797 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H](O)[C@H]1CCCO1 ZINC000599392889 652489021 /nfs/dbraw/zinc/48/90/21/652489021.db2.gz 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ZINC000736797789 599399464 /nfs/dbraw/zinc/39/94/64/599399464.db2.gz LTQMIXMSBZLFNC-UHFFFAOYSA-N -1 1 378.784 1.198 20 5 GDBDMM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000832241179 600697033 /nfs/dbraw/zinc/69/70/33/600697033.db2.gz MAHAKXMHBRLRNR-GFCCVEGCSA-N -1 1 381.366 1.493 20 5 GDBDMM O=c1c(Br)cn(Cc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826501567 607552560 /nfs/dbraw/zinc/55/25/60/607552560.db2.gz WCINTYJXBXWCTF-UHFFFAOYSA-N -1 1 378.146 1.142 20 5 GDBDMM O=c1c(Br)cn(Cc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826501567 607552562 /nfs/dbraw/zinc/55/25/62/607552562.db2.gz WCINTYJXBXWCTF-UHFFFAOYSA-N -1 1 378.146 1.142 20 5 GDBDMM Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)o1 ZINC000826282990 607578714 /nfs/dbraw/zinc/57/87/14/607578714.db2.gz HVJMWEXWSCDHMZ-SECBINFHSA-N -1 1 378.370 1.716 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2ccccc2)c1-c1nn[n-]n1 ZINC000826500048 607578075 /nfs/dbraw/zinc/57/80/75/607578075.db2.gz JIXZMOVQRHQNCJ-UHFFFAOYSA-N -1 1 390.381 1.132 20 5 GDBDMM Cc1ccc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)o1 ZINC000826287277 607587750 /nfs/dbraw/zinc/58/77/50/607587750.db2.gz JIJSXMOPFJZMSO-UHFFFAOYSA-N -1 1 378.370 1.197 20 5 GDBDMM Cc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c(C)c1 ZINC000826288636 607592604 /nfs/dbraw/zinc/59/26/04/607592604.db2.gz QBRFFBWABIRJOP-UHFFFAOYSA-N -1 1 388.409 1.870 20 5 GDBDMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000739208496 603092264 /nfs/dbraw/zinc/09/22/64/603092264.db2.gz MVBRMGRMINKJAX-QPUJVOFHSA-N -1 1 377.357 1.704 20 5 GDBDMM CCCC(O)(CCC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825248395 607639742 /nfs/dbraw/zinc/63/97/42/607639742.db2.gz SNWXXOCLILDHPB-UHFFFAOYSA-N -1 1 398.445 1.385 20 5 GDBDMM C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1ccncc1 ZINC000824427053 607663481 /nfs/dbraw/zinc/66/34/81/607663481.db2.gz KRXYSDAHECYZPG-JTQLQIEISA-N -1 1 389.397 1.252 20 5 GDBDMM O=C([O-])NCCCOC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000832629423 604070466 /nfs/dbraw/zinc/07/04/66/604070466.db2.gz IKMPDHCVLLNFNZ-UHFFFAOYSA-N -1 1 391.384 1.750 20 5 GDBDMM C[C@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCS1 ZINC000824824241 607670283 /nfs/dbraw/zinc/67/02/83/607670283.db2.gz SJJQTKWVNGKPIG-CYBMUJFWSA-N -1 1 384.443 1.339 20 5 GDBDMM C[C@@H]1CCCN(c2ccc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820711431 606530313 /nfs/dbraw/zinc/53/03/13/606530313.db2.gz YWKBWSMJRYKFGU-SNVBAGLBSA-N -1 1 397.399 1.987 20 5 GDBDMM C[C@@H]1CCCN(c2ccc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820711431 606530314 /nfs/dbraw/zinc/53/03/14/606530314.db2.gz YWKBWSMJRYKFGU-SNVBAGLBSA-N -1 1 397.399 1.987 20 5 GDBDMM O=C1CCCN1c1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000823530499 606698926 /nfs/dbraw/zinc/69/89/26/606698926.db2.gz MBCRSWFCRSKGHX-UHFFFAOYSA-N -1 1 380.368 1.909 20 5 GDBDMM O=C1CCCN1c1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000823530499 606698927 /nfs/dbraw/zinc/69/89/27/606698927.db2.gz MBCRSWFCRSKGHX-UHFFFAOYSA-N -1 1 380.368 1.909 20 5 GDBDMM O=C(Cc1cccc(F)c1)NCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000823111973 606705260 /nfs/dbraw/zinc/70/52/60/606705260.db2.gz PXKKJBHWLJCZSM-UHFFFAOYSA-N -1 1 386.347 1.080 20 5 GDBDMM O=C(Cc1cccc(F)c1)NCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000823111973 606705262 /nfs/dbraw/zinc/70/52/62/606705262.db2.gz PXKKJBHWLJCZSM-UHFFFAOYSA-N -1 1 386.347 1.080 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2cccc(F)c2F)CC1 ZINC000823620832 606711119 /nfs/dbraw/zinc/71/11/19/606711119.db2.gz QSCQNGIEEYSOII-UHFFFAOYSA-N -1 1 388.338 1.775 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2cccc(F)c2F)CC1 ZINC000823620832 606711121 /nfs/dbraw/zinc/71/11/21/606711121.db2.gz QSCQNGIEEYSOII-UHFFFAOYSA-N -1 1 388.338 1.775 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1ccc2c(c1)OCCO2 ZINC000823624504 606720303 /nfs/dbraw/zinc/72/03/03/606720303.db2.gz AONPNBVPYLVKJS-UHFFFAOYSA-N -1 1 383.368 1.986 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCc1ccc2c(c1)OCCO2 ZINC000823624504 606720304 /nfs/dbraw/zinc/72/03/04/606720304.db2.gz AONPNBVPYLVKJS-UHFFFAOYSA-N -1 1 383.368 1.986 20 5 GDBDMM C[C@@H]1CCC[C@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820696711 606734052 /nfs/dbraw/zinc/73/40/52/606734052.db2.gz BHPGODAOFDJGNZ-WDEREUQCSA-N -1 1 380.430 1.974 20 5 GDBDMM CCOC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821367270 606734597 /nfs/dbraw/zinc/73/45/97/606734597.db2.gz FEKTVUSQNBDZPV-NSHDSACASA-N -1 1 396.429 1.212 20 5 GDBDMM CCS[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821456302 606736547 /nfs/dbraw/zinc/73/65/47/606736547.db2.gz OXIXDWHRURCDDS-KOLCDFICSA-N -1 1 398.470 1.727 20 5 GDBDMM O=C([N-]c1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000823382947 606808207 /nfs/dbraw/zinc/80/82/07/606808207.db2.gz HNKDOEJYXRBQDV-UHFFFAOYSA-N -1 1 392.339 1.062 20 5 GDBDMM COc1cc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c([N+](=O)[O-])cc1F ZINC000821719933 606910187 /nfs/dbraw/zinc/91/01/87/606910187.db2.gz JZYGZQDTFYDXKN-UHFFFAOYSA-N -1 1 391.367 1.297 20 5 GDBDMM COc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c([N+](=O)[O-])cc1F ZINC000821719933 606910189 /nfs/dbraw/zinc/91/01/89/606910189.db2.gz JZYGZQDTFYDXKN-UHFFFAOYSA-N -1 1 391.367 1.297 20 5 GDBDMM CN(C[C@@H]1CCCN1c1cccnn1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000825909105 607841977 /nfs/dbraw/zinc/84/19/77/607841977.db2.gz ROLIGRLBRWSXME-ZDUSSCGKSA-N -1 1 381.400 1.670 20 5 GDBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826243199 607867764 /nfs/dbraw/zinc/86/77/64/607867764.db2.gz YIMLYMHLRFDCPX-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826243199 607867765 /nfs/dbraw/zinc/86/77/65/607867765.db2.gz YIMLYMHLRFDCPX-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000825147916 607906909 /nfs/dbraw/zinc/90/69/09/607906909.db2.gz MDSWICPEZNPOEV-MWLCHTKSSA-N -1 1 382.402 1.011 20 5 GDBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826451225 608171420 /nfs/dbraw/zinc/17/14/20/608171420.db2.gz WKUVCNXIPAXTHT-UHFFFAOYSA-N -1 1 392.335 1.919 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCc2cccs2)c1-c1nn[n-]n1 ZINC000826500458 608757887 /nfs/dbraw/zinc/75/78/87/608757887.db2.gz ZATVKKPBEAIACL-UHFFFAOYSA-N -1 1 394.438 1.748 20 5 GDBDMM CCOC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000049375137 644396261 /nfs/dbraw/zinc/39/62/61/644396261.db2.gz VQMUKJMOBWCFAX-ZETCQYMHSA-N -1 1 381.204 1.587 20 5 GDBDMM Cn1nccc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000070141532 644585421 /nfs/dbraw/zinc/58/54/21/644585421.db2.gz OPUNEEAZEMHTEM-UHFFFAOYSA-N -1 1 375.204 1.569 20 5 GDBDMM Cn1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n1 ZINC000212228628 645071282 /nfs/dbraw/zinc/07/12/82/645071282.db2.gz FQGXREZWTKUBNL-UHFFFAOYSA-N -1 1 375.204 1.569 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCN2CCSC[C@@H]12 ZINC000921323837 660290156 /nfs/dbraw/zinc/29/01/56/660290156.db2.gz OGLSFPABPXFIJF-NEPJUHHUSA-N -1 1 375.447 1.592 20 5 GDBDMM COCCN1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000609279163 652840205 /nfs/dbraw/zinc/84/02/05/652840205.db2.gz LDPHSZWUQVZEPL-NSHDSACASA-N -1 1 377.850 1.637 20 5 GDBDMM COC(=O)C[C@@](C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccncc1 ZINC000776462351 654690700 /nfs/dbraw/zinc/69/07/00/654690700.db2.gz XNVWUAGEPAZCQE-CQSZACIVSA-N -1 1 385.423 1.808 20 5 GDBDMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br ZINC000789736568 655031566 /nfs/dbraw/zinc/03/15/66/655031566.db2.gz CVWDVEUWAMIAOZ-SSDOTTSWSA-N -1 1 380.220 1.576 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCC1(CO)CC1 ZINC000832451127 655031627 /nfs/dbraw/zinc/03/16/27/655031627.db2.gz UNFSKCSFLTYETG-UHFFFAOYSA-N -1 1 397.222 1.937 20 5 GDBDMM CN1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000809824130 655138762 /nfs/dbraw/zinc/13/87/62/655138762.db2.gz ZQMUFJNCYQJCKP-VIFPVBQESA-N -1 1 382.225 1.801 20 5 GDBDMM C[S@@](=O)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795842437 655190114 /nfs/dbraw/zinc/19/01/14/655190114.db2.gz BEVBWIPMEBKOBR-LJQANCHMSA-N -1 1 389.224 1.153 20 5 GDBDMM CC1(C)[C@H](O)C[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795938215 655196766 /nfs/dbraw/zinc/19/67/66/655196766.db2.gz SOCXAENWBVDODS-WDEREUQCSA-N -1 1 397.222 1.934 20 5 GDBDMM NC(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815014524 655278069 /nfs/dbraw/zinc/27/80/69/655278069.db2.gz QUPGECPSWXWDIY-UHFFFAOYSA-N -1 1 379.797 1.710 20 5 GDBDMM NC(=O)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022387 655279321 /nfs/dbraw/zinc/27/93/21/655279321.db2.gz XJSWYBAESKQUDM-OIBJUYFYSA-N -1 1 379.797 1.710 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCCOC2)c(Cl)cc1Cl ZINC000841560566 655347301 /nfs/dbraw/zinc/34/73/01/655347301.db2.gz PGICZHHUCPPOFG-LDYMZIIASA-N -1 1 399.252 1.967 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[S@@](=O)CC(F)(F)F ZINC000849418933 655531019 /nfs/dbraw/zinc/53/10/19/655531019.db2.gz FSBKPLFLRWUVDG-JOCHJYFZSA-N -1 1 378.325 1.323 20 5 GDBDMM COCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n[nH]1 ZINC000849439098 655535352 /nfs/dbraw/zinc/53/53/52/655535352.db2.gz WAFMGZZYFRSGDQ-UHFFFAOYSA-N -1 1 396.212 1.645 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1CCN(CC(F)F)CC1 ZINC000882331735 657099395 /nfs/dbraw/zinc/09/93/95/657099395.db2.gz JSQXRKHHZNDUOD-UHFFFAOYSA-N -1 1 381.376 1.989 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC000826497150 948412116 /nfs/dbraw/zinc/41/21/16/948412116.db2.gz WDBLHNLUILGHIV-NSHDSACASA-N -1 1 375.389 1.192 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC000826497150 948412123 /nfs/dbraw/zinc/41/21/23/948412123.db2.gz WDBLHNLUILGHIV-NSHDSACASA-N -1 1 375.389 1.192 20 5 GDBDMM C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1)c1ccccn1 ZINC001575117091 951978252 /nfs/dbraw/zinc/97/82/52/951978252.db2.gz LBQSTMRDUFFZTA-SNVBAGLBSA-N -1 1 389.397 1.252 20 5 GDBDMM C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1)c1ccccn1 ZINC001575117091 951978259 /nfs/dbraw/zinc/97/82/59/951978259.db2.gz LBQSTMRDUFFZTA-SNVBAGLBSA-N -1 1 389.397 1.252 20 5 GDBDMM CN(CCN1CCN(Cc2ccccc2)CC1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584616089 974956594 /nfs/dbraw/zinc/95/65/94/974956594.db2.gz APEHVKMTENPHJB-UHFFFAOYSA-N -1 1 399.451 1.942 20 5 GDBDMM CC[C@@](COC)(NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)[O-] ZINC001595199263 979937966 /nfs/dbraw/zinc/93/79/66/979937966.db2.gz ZBCGCDNAMPRSBQ-LBPRGKRZSA-N -1 1 384.769 1.545 20 5 GDBDMM CCCCCC[C@@](O)(CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC001595697428 982241279 /nfs/dbraw/zinc/24/12/79/982241279.db2.gz QCXFGKPQAZYJDZ-GOSISDBHSA-N -1 1 380.445 1.898 20 5 GDBDMM CCCc1[nH]nc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC001596029519 983295474 /nfs/dbraw/zinc/29/54/74/983295474.db2.gz OMDYDMWNELZTNJ-SFYZADRCSA-N -1 1 378.307 1.996 20 5 GDBDMM C[C@@](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593319395 994846731 /nfs/dbraw/zinc/84/67/31/994846731.db2.gz NVGUOSDBNPPFHW-IRXDYDNUSA-N -1 1 397.453 1.300 20 5 GDBDMM C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001594248970 998950344 /nfs/dbraw/zinc/95/03/44/998950344.db2.gz FMJZTSKOEZPYBO-AAEUAGOBSA-N -1 1 383.426 1.540 20 5 GDBDMM CN1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1=O ZINC000160089251 530548719 /nfs/dbraw/zinc/54/87/19/530548719.db2.gz QFZYHHDVWMEYCZ-SECBINFHSA-N -1 1 392.231 1.256 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])NCC(F)(F)F ZINC000170665180 530587565 /nfs/dbraw/zinc/58/75/65/530587565.db2.gz KEBFKVULFKEIMQ-UHFFFAOYSA-N -1 1 375.712 1.205 20 5 GDBDMM C[C@H]([C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCOCC1 ZINC000104757730 530840188 /nfs/dbraw/zinc/84/01/88/530840188.db2.gz SXLOISGWBASZOO-WDEREUQCSA-N -1 1 377.850 1.636 20 5 GDBDMM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000188451448 530894905 /nfs/dbraw/zinc/89/49/05/530894905.db2.gz BWRIKUQRDQXVQE-QMMMGPOBSA-N -1 1 394.247 1.502 20 5 GDBDMM CSC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000228583050 531033853 /nfs/dbraw/zinc/03/38/53/531033853.db2.gz BOBQTOGYCWEFCU-LLVKDONJSA-N -1 1 399.288 1.750 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)C2CCOCC2)c(Cl)cc1Cl ZINC000290643874 531245505 /nfs/dbraw/zinc/24/55/05/531245505.db2.gz DOBABJXPFDIYMA-GFCCVEGCSA-N -1 1 399.252 1.967 20 5 GDBDMM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000487139867 531469305 /nfs/dbraw/zinc/46/93/05/531469305.db2.gz WLOQTCINLCVOOU-CYBMUJFWSA-N 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GDBDMM O=C([O-])c1ccsc1N1CC[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000833341486 600691852 /nfs/dbraw/zinc/69/18/52/600691852.db2.gz NFKZQOMEVLNUFL-KBPBESRZSA-N -1 1 391.405 1.783 20 5 GDBDMM C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824844417 607538574 /nfs/dbraw/zinc/53/85/74/607538574.db2.gz XHCYCQSXIMXWJP-QGZVFWFLSA-N -1 1 394.351 1.137 20 5 GDBDMM C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824844417 607538576 /nfs/dbraw/zinc/53/85/76/607538576.db2.gz XHCYCQSXIMXWJP-QGZVFWFLSA-N -1 1 394.351 1.137 20 5 GDBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1ccccn1 ZINC000824640518 607576556 /nfs/dbraw/zinc/57/65/56/607576556.db2.gz KEWHBMPDVHQPGD-SECBINFHSA-N -1 1 375.370 1.209 20 5 GDBDMM CCc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1 ZINC000825712165 607588936 /nfs/dbraw/zinc/58/89/36/607588936.db2.gz LJTNEWLQSPHSLS-UHFFFAOYSA-N -1 1 394.438 1.877 20 5 GDBDMM O=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826498007 607594651 /nfs/dbraw/zinc/59/46/51/607594651.db2.gz CVVIXEUQLMHPPZ-UHFFFAOYSA-N -1 1 394.800 1.907 20 5 GDBDMM O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826499581 607599713 /nfs/dbraw/zinc/59/97/13/607599713.db2.gz OCBIFEJPAYYIOE-UHFFFAOYSA-N -1 1 378.345 1.393 20 5 GDBDMM COC1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000826145181 607664329 /nfs/dbraw/zinc/66/43/29/607664329.db2.gz BCJVGMUYWZTRTB-UHFFFAOYSA-N -1 1 396.429 1.258 20 5 GDBDMM CC(C)c1nc(S(=O)(=O)Oc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c[n-]1 ZINC000820202708 606142845 /nfs/dbraw/zinc/14/28/45/606142845.db2.gz KEGDTVRGPFENSN-UHFFFAOYSA-N -1 1 379.358 1.389 20 5 GDBDMM O=C(c1ccc(F)cc1)N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000823487451 606645120 /nfs/dbraw/zinc/64/51/20/606645120.db2.gz CTUAQPPTXBCJQE-UHFFFAOYSA-N -1 1 397.370 1.876 20 5 GDBDMM CCCCCNC(=O)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821055813 606698071 /nfs/dbraw/zinc/69/80/71/606698071.db2.gz GXUIBWCWNVQJOE-UHFFFAOYSA-N -1 1 388.432 1.693 20 5 GDBDMM CCCCCNC(=O)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821055813 606698073 /nfs/dbraw/zinc/69/80/73/606698073.db2.gz GXUIBWCWNVQJOE-UHFFFAOYSA-N -1 1 388.432 1.693 20 5 GDBDMM O=C1[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000823512379 606703985 /nfs/dbraw/zinc/70/39/85/606703985.db2.gz OEAQFLSZHROUKF-ZDUSSCGKSA-N -1 1 380.368 1.383 20 5 GDBDMM O=C1[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000823512379 606703987 /nfs/dbraw/zinc/70/39/87/606703987.db2.gz OEAQFLSZHROUKF-ZDUSSCGKSA-N -1 1 380.368 1.383 20 5 GDBDMM Cc1ncc(CN2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)s1 ZINC000822472454 606708636 /nfs/dbraw/zinc/70/86/36/606708636.db2.gz UHNKVWMYVGJBHG-UHFFFAOYSA-N -1 1 387.429 1.257 20 5 GDBDMM Cc1ncc(CN2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)s1 ZINC000822472454 606708638 /nfs/dbraw/zinc/70/86/38/606708638.db2.gz UHNKVWMYVGJBHG-UHFFFAOYSA-N -1 1 387.429 1.257 20 5 GDBDMM C[C@](O)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000820467169 606710567 /nfs/dbraw/zinc/71/05/67/606710567.db2.gz BJTMFLPQVSACNK-HNNXBMFYSA-N -1 1 377.311 1.768 20 5 GDBDMM C[C@](O)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000820467169 606710569 /nfs/dbraw/zinc/71/05/69/606710569.db2.gz BJTMFLPQVSACNK-HNNXBMFYSA-N -1 1 377.311 1.768 20 5 GDBDMM C[C@@H]1c2cccn2CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820825901 606730342 /nfs/dbraw/zinc/73/03/42/606730342.db2.gz GWLDHZVIZVZDOE-SNVBAGLBSA-N -1 1 389.397 1.342 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1-c1nn[n-]n1 ZINC000823647662 607154472 /nfs/dbraw/zinc/15/44/72/607154472.db2.gz NYSCSMFDTGAFEQ-UHFFFAOYSA-N -1 1 386.393 1.916 20 5 GDBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000820461897 607164202 /nfs/dbraw/zinc/16/42/02/607164202.db2.gz SLEGJKPYIBTCNU-JTQLQIEISA-N -1 1 378.356 1.924 20 5 GDBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000820461897 607164203 /nfs/dbraw/zinc/16/42/03/607164203.db2.gz SLEGJKPYIBTCNU-JTQLQIEISA-N -1 1 378.356 1.924 20 5 GDBDMM O=C1CCCN1Cc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000823530954 607167822 /nfs/dbraw/zinc/16/78/22/607167822.db2.gz VWAHTPIZWCJFNS-UHFFFAOYSA-N -1 1 394.395 1.904 20 5 GDBDMM O=C1CCCN1Cc1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000823530954 607167824 /nfs/dbraw/zinc/16/78/24/607167824.db2.gz VWAHTPIZWCJFNS-UHFFFAOYSA-N -1 1 394.395 1.904 20 5 GDBDMM Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826272446 607867640 /nfs/dbraw/zinc/86/76/40/607867640.db2.gz KBLCVZSLISJRKJ-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826272446 607867641 /nfs/dbraw/zinc/86/76/41/607867641.db2.gz KBLCVZSLISJRKJ-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1nn(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826335000 608022370 /nfs/dbraw/zinc/02/23/70/608022370.db2.gz SUEQKOLYQSJZRI-UHFFFAOYSA-N -1 1 394.351 1.652 20 5 GDBDMM Cc1cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000826269810 608189518 /nfs/dbraw/zinc/18/95/18/608189518.db2.gz YDRMQBNAOZRUOA-LBPRGKRZSA-N -1 1 381.400 1.588 20 5 GDBDMM Cc1cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000826269810 608189520 /nfs/dbraw/zinc/18/95/20/608189520.db2.gz YDRMQBNAOZRUOA-LBPRGKRZSA-N -1 1 381.400 1.588 20 5 GDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000544595803 650441207 /nfs/dbraw/zinc/44/12/07/650441207.db2.gz FWCBFBRDRWRACY-JTQLQIEISA-N -1 1 375.765 1.794 20 5 GDBDMM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-]Cc2nc(C(F)(F)F)no2)cc1 ZINC000546597929 650480429 /nfs/dbraw/zinc/48/04/29/650480429.db2.gz BBBMXUFPUISWAI-UHFFFAOYSA-N -1 1 380.304 1.659 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2N2CCOCC2)s1 ZINC000370565271 645694379 /nfs/dbraw/zinc/69/43/79/645694379.db2.gz IIWXFIQJTVRCCO-RYUDHWBXSA-N -1 1 375.472 1.578 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000919979975 660260840 /nfs/dbraw/zinc/26/08/40/660260840.db2.gz AQGQBKHDZTYWSP-TVQRCGJNSA-N -1 1 394.856 1.300 20 5 GDBDMM CSC[C@H](CCO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443255251 647195314 /nfs/dbraw/zinc/19/53/14/647195314.db2.gz WGKRUSXNHLCWPF-VIFPVBQESA-N -1 1 399.288 1.750 20 5 GDBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1(c2nn[n-]n2)CCCC1 ZINC000446308377 647284232 /nfs/dbraw/zinc/28/42/32/647284232.db2.gz VAHBHRJLQCGRPO-UHFFFAOYSA-N -1 1 395.217 1.999 20 5 GDBDMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467072175 647629506 /nfs/dbraw/zinc/62/95/06/647629506.db2.gz ALLPWLUGINSGKU-LURJTMIESA-N -1 1 376.334 1.737 20 5 GDBDMM CS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000468988491 647689938 /nfs/dbraw/zinc/68/99/38/647689938.db2.gz PEFOMSPTQGDZAT-UHFFFAOYSA-N -1 1 376.437 1.538 20 5 GDBDMM COC(=O)c1cc([N-]C(=O)c2ccc(S(N)(=O)=O)s2)cc([N+](=O)[O-])c1 ZINC000522921765 648678946 /nfs/dbraw/zinc/67/89/46/648678946.db2.gz LOQLITRUCYOAOZ-UHFFFAOYSA-N -1 1 385.379 1.343 20 5 GDBDMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CS1(=O)=O ZINC000594848613 652378438 /nfs/dbraw/zinc/37/84/38/652378438.db2.gz GONDDLVRHPSWBV-IUCAKERBSA-N -1 1 382.847 1.492 20 5 GDBDMM COC(=O)[C@@](C)([N-]S(=O)(=O)CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599488422 652504312 /nfs/dbraw/zinc/50/43/12/652504312.db2.gz YTCZKEFDIFEYLH-LBPRGKRZSA-N -1 1 384.332 1.855 20 5 GDBDMM Cc1noc([C@@H]2OCC[C@@H]2[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000599518439 652505813 /nfs/dbraw/zinc/50/58/13/652505813.db2.gz HGNFPPXDOVXLKE-GXSJLCMTSA-N -1 1 388.789 1.748 20 5 GDBDMM Cc1cc(S(N)(=O)=O)ccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000770472845 654512804 /nfs/dbraw/zinc/51/28/04/654512804.db2.gz YLFZPCBLSJKROQ-UHFFFAOYSA-N -1 1 391.452 1.091 20 5 GDBDMM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725823439 654842867 /nfs/dbraw/zinc/84/28/67/654842867.db2.gz ZIUTWPIAXRCCJT-UHFFFAOYSA-N -1 1 399.878 1.198 20 5 GDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](O)c1c(F)cccc1Cl ZINC000751440903 654890970 /nfs/dbraw/zinc/89/09/70/654890970.db2.gz JUJNJFLYKMMAPF-JTQLQIEISA-N -1 1 375.765 1.794 20 5 GDBDMM C[S@@](=O)CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830545124 654949087 /nfs/dbraw/zinc/94/90/87/654949087.db2.gz QZXYCAXRIXOPCR-HXUWFJFHSA-N -1 1 375.255 1.949 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)C2CCOCC2)c1Cl ZINC000830644075 654952535 /nfs/dbraw/zinc/95/25/35/654952535.db2.gz LOFZEFZWVQFMDP-LLVKDONJSA-N -1 1 399.252 1.967 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000832313347 655027138 /nfs/dbraw/zinc/02/71/38/655027138.db2.gz JNHVSYJWYVZXJU-TXEJJXNPSA-N -1 1 375.834 1.390 20 5 GDBDMM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829506 655139850 /nfs/dbraw/zinc/13/98/50/655139850.db2.gz HQTUXTHPLSBHIN-MRVPVSSYSA-N -1 1 387.197 1.104 20 5 GDBDMM CC(C)(CS(C)(=O)=O)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809831015 655140030 /nfs/dbraw/zinc/14/00/30/655140030.db2.gz MWEMETYIAPZMLI-UHFFFAOYSA-N -1 1 388.826 1.489 20 5 GDBDMM COC(=O)C[C@@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000809833423 655140588 /nfs/dbraw/zinc/14/05/88/655140588.db2.gz ZNWZZRQSGSIHFD-ZDUSSCGKSA-N -1 1 396.780 1.388 20 5 GDBDMM COCC[C@@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000809839711 655141405 /nfs/dbraw/zinc/14/14/05/655141405.db2.gz KCNXINAOEFBZLS-CYBMUJFWSA-N -1 1 382.797 1.861 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@H]23)c([N+](=O)[O-])n1 ZINC000762525425 655167667 /nfs/dbraw/zinc/16/76/67/655167667.db2.gz JVARWSPKUMVRPN-FXPVBKGRSA-N -1 1 378.501 1.469 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCc1nnc[nH]1 ZINC000795878197 655193063 /nfs/dbraw/zinc/19/30/63/655193063.db2.gz QHCJVEAUDWGJKS-UHFFFAOYSA-N -1 1 394.182 1.136 20 5 GDBDMM CN(C)c1ncc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1C ZINC000815013928 655278085 /nfs/dbraw/zinc/27/80/85/655278085.db2.gz ZIVJVWVBNPGVGD-UHFFFAOYSA-N -1 1 391.812 1.665 20 5 GDBDMM CCn1cnnc1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815015952 655278349 /nfs/dbraw/zinc/27/83/49/655278349.db2.gz QAMORMUBHDHICQ-UHFFFAOYSA-N -1 1 377.785 1.520 20 5 GDBDMM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815026289 655279802 /nfs/dbraw/zinc/27/98/02/655279802.db2.gz DPGXHJGXTZRVDU-JTQLQIEISA-N -1 1 381.813 1.826 20 5 GDBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1COCC12OCCO2 ZINC000841543307 655342278 /nfs/dbraw/zinc/34/22/78/655342278.db2.gz UFEKWFQUEOKRAK-JTQLQIEISA-N -1 1 392.455 1.350 20 5 GDBDMM O=C([N-]S(=O)(=O)c1cc(Cl)c(Br)s1)[C@@H]1CC1[N+](=O)[O-] ZINC000842323356 655362089 /nfs/dbraw/zinc/36/20/89/655362089.db2.gz SOHWZHSJZMAQQC-NQXXGFSBSA-N -1 1 389.636 1.634 20 5 GDBDMM O=C([N-]CC[S@@](=O)CC(F)(F)F)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000853819804 655650999 /nfs/dbraw/zinc/65/09/99/655650999.db2.gz BPIPADREAUJRFL-RUZDIDTESA-N -1 1 390.286 1.994 20 5 GDBDMM CCc1nn(C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763116 947320462 /nfs/dbraw/zinc/32/04/62/947320462.db2.gz ORDWVBUYIZNDJJ-AWEZNQCLSA-N -1 1 385.384 1.190 20 5 GDBDMM C[C@@](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC001573630910 959552118 /nfs/dbraw/zinc/55/21/18/959552118.db2.gz NFMGRFFGHYZNBE-KRWDZBQOSA-N -1 1 378.406 1.958 20 5 GDBDMM O=C([O-])C1CCC(O)(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001605994790 973062789 /nfs/dbraw/zinc/06/27/89/973062789.db2.gz YHCBTCWLULCYBX-UHFFFAOYSA-N -1 1 391.424 1.359 20 5 GDBDMM O=C([O-])[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Oc1ccc(F)cc1 ZINC000538469553 974388239 /nfs/dbraw/zinc/38/82/39/974388239.db2.gz CPAUJZNQQQPFRC-AWEZNQCLSA-N -1 1 388.311 1.872 20 5 GDBDMM COc1cccc([C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000548530245 974465334 /nfs/dbraw/zinc/46/53/34/974465334.db2.gz JGOKWJODQXVTQD-ZDUSSCGKSA-N -1 1 384.341 1.847 20 5 GDBDMM CCCc1[nH]nc(C(=O)N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001596029146 983294552 /nfs/dbraw/zinc/29/45/52/983294552.db2.gz JFUXOBBWEQZWKE-QWHCGFSZSA-N -1 1 388.380 1.916 20 5 GDBDMM C[C@@H](O)[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001599844372 988907893 /nfs/dbraw/zinc/90/78/93/988907893.db2.gz VOKSZMMIZZOCLC-DIFFPNOSSA-N -1 1 398.375 1.948 20 5 GDBDMM CN1c2ccccc2C[C@H](NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1=O ZINC001598548771 992976783 /nfs/dbraw/zinc/97/67/83/992976783.db2.gz FHFGIELHRDTNID-AWEZNQCLSA-N -1 1 385.376 1.736 20 5 GDBDMM C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001594345156 999305176 /nfs/dbraw/zinc/30/51/76/999305176.db2.gz NYGRIGNXDSQMEC-RYUDHWBXSA-N -1 1 385.442 1.834 20 5 GDBDMM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000098117610 530823157 /nfs/dbraw/zinc/82/31/57/530823157.db2.gz YRQZRMZIBCFWCX-PHIMTYICSA-N -1 1 377.488 1.822 20 5 GDBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(N)=O ZINC000107311447 530853623 /nfs/dbraw/zinc/85/36/23/530853623.db2.gz FEQWHKCEFXIHNR-SNVBAGLBSA-N -1 1 380.220 1.146 20 5 GDBDMM CC(C)(CC(N)=O)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000186712089 530860633 /nfs/dbraw/zinc/86/06/33/530860633.db2.gz XAECHWYLAKCWTQ-UHFFFAOYSA-N -1 1 380.220 1.290 20 5 GDBDMM Cc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CC2 ZINC000290721093 531251771 /nfs/dbraw/zinc/25/17/71/531251771.db2.gz KJPZFBXSZCDKAA-QMMMGPOBSA-N -1 1 389.796 1.581 20 5 GDBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(N)=O ZINC000277703394 531304789 /nfs/dbraw/zinc/30/47/89/531304789.db2.gz FLGRCLRZNTUDNN-JTQLQIEISA-N -1 1 398.210 1.285 20 5 GDBDMM COc1cc(-c2noc(Cn3cnc([N+](=O)[O-])n3)n2)cc(Br)c1[O-] ZINC000350774747 531426689 /nfs/dbraw/zinc/42/66/89/531426689.db2.gz PURMMJWEGJFCGI-UHFFFAOYSA-N -1 1 397.145 1.761 20 5 GDBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000267606951 531439176 /nfs/dbraw/zinc/43/91/76/531439176.db2.gz GLXKYYOJZNYEON-LLVKDONJSA-N -1 1 391.833 1.164 20 5 GDBDMM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487121690 531468285 /nfs/dbraw/zinc/46/82/85/531468285.db2.gz UMOKKNWWEAMDLR-ZDUSSCGKSA-N -1 1 380.806 1.495 20 5 GDBDMM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000280380614 531491892 /nfs/dbraw/zinc/49/18/92/531491892.db2.gz ZGBJZJFCMIGXCX-LLVKDONJSA-N -1 1 375.834 1.785 20 5 GDBDMM O=C1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CN1C1CC1 ZINC000295345611 531563589 /nfs/dbraw/zinc/56/35/89/531563589.db2.gz YCXUSBGUKBEJIS-SSDOTTSWSA-N -1 1 394.236 1.943 20 5 GDBDMM COC(=O)[C@@]1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOC1 ZINC000296317324 531680880 /nfs/dbraw/zinc/68/08/80/531680880.db2.gz ONGYOTWLSXANMB-GFCCVEGCSA-N -1 1 399.208 1.512 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]CCOc2ccc(Cl)c(F)c2)c([N+](=O)[O-])n1 ZINC000451818401 531691703 /nfs/dbraw/zinc/69/17/03/531691703.db2.gz XHEUKVZEFVCMNJ-UHFFFAOYSA-N -1 1 392.796 1.961 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@]1(O)CCSC1 ZINC000269764359 531744827 /nfs/dbraw/zinc/74/48/27/531744827.db2.gz CUZXEMWINRZWFN-NSHDSACASA-N -1 1 397.272 1.504 20 5 GDBDMM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000298803349 531923939 /nfs/dbraw/zinc/92/39/39/531923939.db2.gz HACZMRQGJHVZDN-VIFPVBQESA-N -1 1 392.231 1.304 20 5 GDBDMM COC(=O)C1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000270861330 531932487 /nfs/dbraw/zinc/93/24/87/531932487.db2.gz QZRDXEREPAGMSQ-UHFFFAOYSA-N -1 1 379.188 1.341 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000599210661 532013436 /nfs/dbraw/zinc/01/34/36/532013436.db2.gz WPYGWEXSFMPQHK-MRVPVSSYSA-N -1 1 376.341 1.969 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)CC(F)F)c(C(F)(F)F)c1 ZINC000428424829 532207318 /nfs/dbraw/zinc/20/73/18/532207318.db2.gz SSJVTISKOBUEQA-LURJTMIESA-N -1 1 378.275 1.908 20 5 GDBDMM C[C@@]1([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCOC1=O ZINC000289477226 532325537 /nfs/dbraw/zinc/32/55/37/532325537.db2.gz HWPPLVMVUUXNTD-LLVKDONJSA-N -1 1 397.178 1.480 20 5 GDBDMM C[S@](=O)C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000289920591 532333924 /nfs/dbraw/zinc/33/39/24/532333924.db2.gz QQGPIHRZJFRQGL-QFIPXVFZSA-N -1 1 384.838 1.967 20 5 GDBDMM C[C@H](O)CCN(C)c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N(C)CC[C@H](C)O)c1 ZINC000820473913 599052441 /nfs/dbraw/zinc/05/24/41/599052441.db2.gz OFBQYHDOMYKYLD-RYUDHWBXSA-N -1 1 393.448 1.189 20 5 GDBDMM C[C@H](O)CCN(C)c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N(C)CC[C@H](C)O)c1 ZINC000820473913 599052444 /nfs/dbraw/zinc/05/24/44/599052444.db2.gz OFBQYHDOMYKYLD-RYUDHWBXSA-N -1 1 393.448 1.189 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000736129959 599123554 /nfs/dbraw/zinc/12/35/54/599123554.db2.gz KLIDWCOEPXWNDH-VIFPVBQESA-N -1 1 375.370 1.209 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3nn[nH]n3)cc2F)s1 ZINC000738366976 598312763 /nfs/dbraw/zinc/31/27/63/598312763.db2.gz LYZFRHIZRQOFMP-UHFFFAOYSA-N -1 1 384.374 1.454 20 5 GDBDMM CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736829264 598690099 /nfs/dbraw/zinc/69/00/99/598690099.db2.gz ZLOGXRGTHKZBMU-UHFFFAOYSA-N -1 1 392.372 1.735 20 5 GDBDMM C[C@H](CNC(=O)OC(C)(C)C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824420082 607541834 /nfs/dbraw/zinc/54/18/34/607541834.db2.gz FQDOMBMAHQLQRB-VIFPVBQESA-N -1 1 378.393 1.743 20 5 GDBDMM C[C@H](CNC(=O)OC(C)(C)C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824420082 607541835 /nfs/dbraw/zinc/54/18/35/607541835.db2.gz FQDOMBMAHQLQRB-VIFPVBQESA-N -1 1 378.393 1.743 20 5 GDBDMM O=Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1 ZINC000826483941 607572259 /nfs/dbraw/zinc/57/22/59/607572259.db2.gz GTZUIKRVQTVPAG-UHFFFAOYSA-N -1 1 375.322 1.355 20 5 GDBDMM Cc1csc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)n1 ZINC000826321244 607582385 /nfs/dbraw/zinc/58/23/85/607582385.db2.gz WUNMYOVKPXUWSM-UHFFFAOYSA-N -1 1 381.399 1.018 20 5 GDBDMM COCCN(CC(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826157914 607585471 /nfs/dbraw/zinc/58/54/71/607585471.db2.gz RCUOGCCJBUBQBK-UHFFFAOYSA-N -1 1 384.418 1.068 20 5 GDBDMM Cc1cnc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1 ZINC000826317780 607664094 /nfs/dbraw/zinc/66/40/94/607664094.db2.gz NJPWWFORWHFTKV-MRVPVSSYSA-N -1 1 395.426 1.579 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCOC3(CCC3)C2)c1-c1nn[n-]n1 ZINC000826500152 607677608 /nfs/dbraw/zinc/67/76/08/607677608.db2.gz NCRPDXWHBHXRSH-SNVBAGLBSA-N -1 1 394.413 1.155 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000826499437 607691929 /nfs/dbraw/zinc/69/19/29/607691929.db2.gz IUBJYSHTJRNRMA-UHFFFAOYSA-N -1 1 392.422 1.804 20 5 GDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000833622012 605056234 /nfs/dbraw/zinc/05/62/34/605056234.db2.gz DGCBJZUJASZDKM-LLVKDONJSA-N -1 1 384.820 1.939 20 5 GDBDMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000834181071 605431870 /nfs/dbraw/zinc/43/18/70/605431870.db2.gz BANJBMCRBJQXPZ-CWRNSKLLSA-N -1 1 388.424 1.852 20 5 GDBDMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000834181073 605432112 /nfs/dbraw/zinc/43/21/12/605432112.db2.gz BANJBMCRBJQXPZ-FVQBIDKESA-N -1 1 388.424 1.852 20 5 GDBDMM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000820925973 606484594 /nfs/dbraw/zinc/48/45/94/606484594.db2.gz NVAOZBSXFRQIRV-ZDUSSCGKSA-N -1 1 389.397 1.600 20 5 GDBDMM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000820925973 606484596 /nfs/dbraw/zinc/48/45/96/606484596.db2.gz NVAOZBSXFRQIRV-ZDUSSCGKSA-N -1 1 389.397 1.600 20 5 GDBDMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000819971734 606589954 /nfs/dbraw/zinc/58/99/54/606589954.db2.gz RTLHSPFXNUMCFT-UHFFFAOYSA-N -1 1 396.371 1.855 20 5 GDBDMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000819971734 606589956 /nfs/dbraw/zinc/58/99/56/606589956.db2.gz RTLHSPFXNUMCFT-UHFFFAOYSA-N -1 1 396.371 1.855 20 5 GDBDMM COc1cc2c(cc1OC)CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000821727881 606701195 /nfs/dbraw/zinc/70/11/95/606701195.db2.gz PHCQHHHPZRQECS-UHFFFAOYSA-N -1 1 397.395 1.792 20 5 GDBDMM COc1cc2c(cc1OC)CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000821727881 606701196 /nfs/dbraw/zinc/70/11/96/606701196.db2.gz PHCQHHHPZRQECS-UHFFFAOYSA-N -1 1 397.395 1.792 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC000823619968 606704318 /nfs/dbraw/zinc/70/43/18/606704318.db2.gz DHVOBORXQAJFJI-UHFFFAOYSA-N -1 1 387.791 1.545 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC000823619968 606704319 /nfs/dbraw/zinc/70/43/19/606704319.db2.gz DHVOBORXQAJFJI-UHFFFAOYSA-N -1 1 387.791 1.545 20 5 GDBDMM CCn1ccnc1CN1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821566662 606707832 /nfs/dbraw/zinc/70/78/32/606707832.db2.gz OLOMXUYIBAAKPO-UHFFFAOYSA-N -1 1 398.431 1.099 20 5 GDBDMM CCn1ccnc1CN1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821566662 606707833 /nfs/dbraw/zinc/70/78/33/606707833.db2.gz OLOMXUYIBAAKPO-UHFFFAOYSA-N -1 1 398.431 1.099 20 5 GDBDMM CC1(C)CN=C(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)S1 ZINC000820607190 606719287 /nfs/dbraw/zinc/71/92/87/606719287.db2.gz MEYRMTSBXMGYKF-UHFFFAOYSA-N -1 1 389.445 1.173 20 5 GDBDMM CC1(C)CN=C(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)S1 ZINC000820607190 606719288 /nfs/dbraw/zinc/71/92/88/606719288.db2.gz MEYRMTSBXMGYKF-UHFFFAOYSA-N -1 1 389.445 1.173 20 5 GDBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000820462054 606728757 /nfs/dbraw/zinc/72/87/57/606728757.db2.gz ULBFOVLFULBOHB-JTQLQIEISA-N -1 1 378.356 1.924 20 5 GDBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000820462054 606728758 /nfs/dbraw/zinc/72/87/58/606728758.db2.gz ULBFOVLFULBOHB-JTQLQIEISA-N -1 1 378.356 1.924 20 5 GDBDMM C[C@@H](c1cccnc1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820570545 606732280 /nfs/dbraw/zinc/73/22/80/606732280.db2.gz LZENOMALYPRSDP-JTQLQIEISA-N -1 1 389.397 1.552 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000823647968 606733606 /nfs/dbraw/zinc/73/36/06/606733606.db2.gz QUMKKAWGZJYTBH-JQWIXIFHSA-N -1 1 394.413 1.107 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000820803509 606785306 /nfs/dbraw/zinc/78/53/06/606785306.db2.gz BDVYYDVYLAHRRR-NSHDSACASA-N -1 1 399.390 1.415 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000820803509 606785308 /nfs/dbraw/zinc/78/53/08/606785308.db2.gz BDVYYDVYLAHRRR-NSHDSACASA-N -1 1 399.390 1.415 20 5 GDBDMM CN(c1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821619190 607153824 /nfs/dbraw/zinc/15/38/24/607153824.db2.gz MPXKVANEXXEXJR-UHFFFAOYSA-N -1 1 378.345 1.739 20 5 GDBDMM CCOC(=O)Cc1csc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000821334630 607164425 /nfs/dbraw/zinc/16/44/25/607164425.db2.gz PLUZYGGFNTWAJM-UHFFFAOYSA-N -1 1 393.410 1.883 20 5 GDBDMM CCOC(=O)Cc1csc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000821334630 607164427 /nfs/dbraw/zinc/16/44/27/607164427.db2.gz PLUZYGGFNTWAJM-UHFFFAOYSA-N -1 1 393.410 1.883 20 5 GDBDMM C[C@H]1CN(c2ccc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cn2)CCO1 ZINC000820776760 607168306 /nfs/dbraw/zinc/16/83/06/607168306.db2.gz NEAZSNJSPHBYNP-NSHDSACASA-N -1 1 397.399 1.402 20 5 GDBDMM C[C@H]1CN(c2ccc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cn2)CCO1 ZINC000820776760 607168307 /nfs/dbraw/zinc/16/83/07/607168307.db2.gz NEAZSNJSPHBYNP-NSHDSACASA-N -1 1 397.399 1.402 20 5 GDBDMM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826272678 607866796 /nfs/dbraw/zinc/86/67/96/607866796.db2.gz WKJMAUHKCFPKKU-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826272678 607866797 /nfs/dbraw/zinc/86/67/97/607866797.db2.gz WKJMAUHKCFPKKU-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM C[C@@H]1C[C@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824884342 608125225 /nfs/dbraw/zinc/12/52/25/608125225.db2.gz NNUVOHHWPONDAN-GHMZBOCLSA-N -1 1 396.429 1.258 20 5 GDBDMM C[C@H]1OCC[C@@H]1Nc1cc(N[C@H]2CCO[C@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825022040 608148705 /nfs/dbraw/zinc/14/87/05/608148705.db2.gz VVBVZEMJPWHZMN-DJBIQUGXSA-N -1 1 389.416 1.954 20 5 GDBDMM C[C@H]1OCC[C@@H]1Nc1cc(N[C@H]2CCO[C@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825022040 608148707 /nfs/dbraw/zinc/14/87/07/608148707.db2.gz VVBVZEMJPWHZMN-DJBIQUGXSA-N -1 1 389.416 1.954 20 5 GDBDMM CC(=O)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC12CCCCC2 ZINC000823981765 608231643 /nfs/dbraw/zinc/23/16/43/608231643.db2.gz QWQBAUNTPXUSJS-UHFFFAOYSA-N -1 1 386.416 1.541 20 5 GDBDMM CC(=O)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC12CCCCC2 ZINC000823981765 608231645 /nfs/dbraw/zinc/23/16/45/608231645.db2.gz QWQBAUNTPXUSJS-UHFFFAOYSA-N -1 1 386.416 1.541 20 5 GDBDMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000826425168 608893364 /nfs/dbraw/zinc/89/33/64/608893364.db2.gz SCXJCFFATGOIGC-UHFFFAOYSA-N -1 1 382.262 1.629 20 5 GDBDMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000826425168 608893368 /nfs/dbraw/zinc/89/33/68/608893368.db2.gz SCXJCFFATGOIGC-UHFFFAOYSA-N -1 1 382.262 1.629 20 5 GDBDMM CSc1[nH]c(=O)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1-c1nn[n-]n1 ZINC000826229461 609296428 /nfs/dbraw/zinc/29/64/28/609296428.db2.gz FUPFIKYBYZLSSX-UHFFFAOYSA-N -1 1 399.392 1.800 20 5 GDBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826415317 609622078 /nfs/dbraw/zinc/62/20/78/609622078.db2.gz AEAZWHRWOXZOGZ-UHFFFAOYSA-N -1 1 384.308 1.276 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)c([N+](=O)[O-])n1 ZINC000543685952 650427564 /nfs/dbraw/zinc/42/75/64/650427564.db2.gz ULQRGYKWRCCNDP-UHFFFAOYSA-N -1 1 386.817 1.878 20 5 GDBDMM COCC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548205081 650535117 /nfs/dbraw/zinc/53/51/17/650535117.db2.gz DNCKAVQORRLPSQ-MRVPVSSYSA-N -1 1 387.197 1.670 20 5 GDBDMM Cn1ccnc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000071276023 644587248 /nfs/dbraw/zinc/58/72/48/644587248.db2.gz NCFZDRWKMLXCAG-UHFFFAOYSA-N -1 1 375.204 1.569 20 5 GDBDMM CC(C)CN1CCO[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000170660607 644870136 /nfs/dbraw/zinc/87/01/36/644870136.db2.gz HCATUJMITDOUIP-CYBMUJFWSA-N -1 1 391.877 1.883 20 5 GDBDMM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)C ZINC000178930700 644928881 /nfs/dbraw/zinc/92/88/81/644928881.db2.gz CDVFNZWCLWKHGD-NSHDSACASA-N -1 1 394.247 1.406 20 5 GDBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000460564469 647470053 /nfs/dbraw/zinc/47/00/53/647470053.db2.gz XBVLHYFVLGSGTG-UHFFFAOYSA-N -1 1 376.192 1.839 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCN2CCSC[C@@H]12 ZINC000921323839 660290174 /nfs/dbraw/zinc/29/01/74/660290174.db2.gz OGLSFPABPXFIJF-RYUDHWBXSA-N -1 1 375.447 1.592 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1C[C@H](O)C12CCC2 ZINC000594866656 652382485 /nfs/dbraw/zinc/38/24/85/652382485.db2.gz XHTUEJMNFNSUKM-RYUDHWBXSA-N -1 1 391.243 1.939 20 5 GDBDMM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599460460 652501615 /nfs/dbraw/zinc/50/16/15/652501615.db2.gz NLRNELBTMWXNEX-UWVGGRQHSA-N -1 1 378.428 1.293 20 5 GDBDMM CS(=O)(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000610136079 652872984 /nfs/dbraw/zinc/87/29/84/652872984.db2.gz JYWDEUPUXXONAC-UWVGGRQHSA-N -1 1 396.874 1.882 20 5 GDBDMM Cc1cc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])ncn1 ZINC000611134009 652906927 /nfs/dbraw/zinc/90/69/27/652906927.db2.gz JEOPYCRTEPWAHH-UHFFFAOYSA-N -1 1 387.215 1.934 20 5 GDBDMM Cc1c(Br)c(=O)n(CCC[N-]C(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000783924357 654873575 /nfs/dbraw/zinc/87/35/75/654873575.db2.gz LQNKMGFAFMOIOK-UHFFFAOYSA-N -1 1 386.124 1.896 20 5 GDBDMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCO1 ZINC000831190779 654975559 /nfs/dbraw/zinc/97/55/59/654975559.db2.gz JHMGYEWCRPBJNU-SECBINFHSA-N -1 1 398.268 1.901 20 5 GDBDMM COC[C@](C)(O)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000831778060 654996916 /nfs/dbraw/zinc/99/69/16/654996916.db2.gz JACWSZYBNVHRNE-GFCCVEGCSA-N -1 1 397.247 1.423 20 5 GDBDMM COC[C@](C)(O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831778946 654997092 /nfs/dbraw/zinc/99/70/92/654997092.db2.gz YMDFLDLCFOQYSF-GFCCVEGCSA-N -1 1 387.241 1.967 20 5 GDBDMM CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832067304 655008672 /nfs/dbraw/zinc/00/86/72/655008672.db2.gz RVFRCZWBUZFRGD-PRHODGIISA-N -1 1 382.797 1.717 20 5 GDBDMM COC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809813406 655137276 /nfs/dbraw/zinc/13/72/76/655137276.db2.gz GDSGJBQBFZUVTC-QMMMGPOBSA-N -1 1 395.796 1.896 20 5 GDBDMM C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1=O ZINC000809823069 655138804 /nfs/dbraw/zinc/13/88/04/655138804.db2.gz XSHKCYUNDCKEGD-SOCHQFKDSA-N -1 1 391.808 1.675 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CN(C)CCO1 ZINC000809828235 655139520 /nfs/dbraw/zinc/13/95/20/655139520.db2.gz YIVSWTUGDGBWPV-UFBFGSQYSA-N -1 1 381.813 1.385 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H]1CN(C)CCO1 ZINC000809828232 655139525 /nfs/dbraw/zinc/13/95/25/655139525.db2.gz YIVSWTUGDGBWPV-PRHODGIISA-N -1 1 381.813 1.385 20 5 GDBDMM O=C([O-])[C@@H](CC(F)F)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837286943 655173833 /nfs/dbraw/zinc/17/38/33/655173833.db2.gz OWZTZBDFKALMOE-ZCFIWIBFSA-N -1 1 376.696 1.774 20 5 GDBDMM NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815017336 655278582 /nfs/dbraw/zinc/27/85/82/655278582.db2.gz ZJMXIJQNLBOURV-JGVFFNPUSA-N -1 1 379.797 1.710 20 5 GDBDMM CC[C@]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])(C(N)=O)C(C)C ZINC000815032569 655281050 /nfs/dbraw/zinc/28/10/50/655281050.db2.gz UZVROYCBPKVVJJ-CYBMUJFWSA-N -1 1 381.813 1.956 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000815108562 655287643 /nfs/dbraw/zinc/28/76/43/655287643.db2.gz JKOXMDVIAUPBKE-HUUCEWRRSA-N -1 1 390.845 1.847 20 5 GDBDMM O=C([N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC000842326753 655362222 /nfs/dbraw/zinc/36/22/22/655362222.db2.gz CWDNNQFQRLQYMP-PSASIEDQSA-N -1 1 397.634 1.714 20 5 GDBDMM O=C([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CC1[N+](=O)[O-] ZINC000842345496 655362851 /nfs/dbraw/zinc/36/28/51/655362851.db2.gz JETQQHRLSTVPGQ-IYSWYEEDSA-N -1 1 383.607 1.573 20 5 GDBDMM O=C1CCCN1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000845993104 655442597 /nfs/dbraw/zinc/44/25/97/655442597.db2.gz VRKPTLQJPMILFH-UHFFFAOYSA-N -1 1 382.225 1.802 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@@H](O)C12CCC2 ZINC000849470687 655541639 /nfs/dbraw/zinc/54/16/39/655541639.db2.gz HFPDNKBUZPQGPR-VXGBXAGGSA-N -1 1 391.243 1.939 20 5 GDBDMM CCn1ncc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000859252725 655772053 /nfs/dbraw/zinc/77/20/53/655772053.db2.gz TWQDXOSUYIXHPF-UHFFFAOYSA-N -1 1 390.219 1.447 20 5 GDBDMM CCON(CC)C(=O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000859271841 655772475 /nfs/dbraw/zinc/77/24/75/655772475.db2.gz HIESXDDCBRMJET-UHFFFAOYSA-N -1 1 383.785 1.466 20 5 GDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCN(CC(F)(F)F)C2)cc1F ZINC000866676331 655953427 /nfs/dbraw/zinc/95/34/27/655953427.db2.gz ZTWCJXHYGGKEQX-VIFPVBQESA-N -1 1 385.339 1.957 20 5 GDBDMM C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001576165302 949564890 /nfs/dbraw/zinc/56/48/90/949564890.db2.gz JGEQZYZWCWLCIZ-GXFFZTMASA-N -1 1 380.430 1.974 20 5 GDBDMM C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001576165302 949564901 /nfs/dbraw/zinc/56/49/01/949564901.db2.gz JGEQZYZWCWLCIZ-GXFFZTMASA-N -1 1 380.430 1.974 20 5 GDBDMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000593289612 953751315 /nfs/dbraw/zinc/75/13/15/953751315.db2.gz ZBDWFDOPEHYNEC-CYBMUJFWSA-N -1 1 377.397 1.371 20 5 GDBDMM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001574649144 962411980 /nfs/dbraw/zinc/41/19/80/962411980.db2.gz XNLJJLTVVQPLRM-ZYHUDNBSSA-N -1 1 393.293 1.830 20 5 GDBDMM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001574649144 962411995 /nfs/dbraw/zinc/41/19/95/962411995.db2.gz XNLJJLTVVQPLRM-ZYHUDNBSSA-N -1 1 393.293 1.830 20 5 GDBDMM CC(C)c1ccc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001591941693 976461083 /nfs/dbraw/zinc/46/10/83/976461083.db2.gz CGKUWOCYSJIYIQ-UHFFFAOYSA-N -1 1 392.456 1.492 20 5 GDBDMM CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001598610780 993768379 /nfs/dbraw/zinc/76/83/79/993768379.db2.gz NLZIXMLFCGALII-SECBINFHSA-N -1 1 375.303 1.702 20 5 GDBDMM COc1ccc([C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC001599526719 997572848 /nfs/dbraw/zinc/57/28/48/997572848.db2.gz HJTAYJOGFDQQSE-MRXNPFEDSA-N -1 1 394.405 1.793 20 5 GDBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001599345415 997996440 /nfs/dbraw/zinc/99/64/40/997996440.db2.gz KKRQAQWCZZQRCU-UHFFFAOYSA-N -1 1 382.350 1.868 20 5 GDBDMM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001599150284 998284781 /nfs/dbraw/zinc/28/47/81/998284781.db2.gz 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LVDAUIDFJICYMV-NSHDSACASA-N -1 1 392.796 1.616 20 5 GDBDMM CC(C)C(=O)NCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815026411 655280085 /nfs/dbraw/zinc/28/00/85/655280085.db2.gz HJRVBEKXWGOMHJ-UHFFFAOYSA-N -1 1 381.813 1.828 20 5 GDBDMM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC000815028118 655280281 /nfs/dbraw/zinc/28/02/81/655280281.db2.gz QYWUEVGPBSTKHH-UHFFFAOYSA-N -1 1 393.740 1.471 20 5 GDBDMM CC(C)(CS(C)(=O)=O)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034352 655281284 /nfs/dbraw/zinc/28/12/84/655281284.db2.gz LSGJEJNVCCVSPK-UHFFFAOYSA-N -1 1 388.826 1.489 20 5 GDBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000815042572 655282924 /nfs/dbraw/zinc/28/29/24/655282924.db2.gz MFSCNJJKSOQXEN-CMPLNLGQSA-N -1 1 382.797 1.860 20 5 GDBDMM O=C(OCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000841537760 655340978 /nfs/dbraw/zinc/34/09/78/655340978.db2.gz YWGUWAJYISGOBW-UHFFFAOYSA-N -1 1 393.215 1.589 20 5 GDBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000828098980 655519165 /nfs/dbraw/zinc/51/91/65/655519165.db2.gz QMPQFBIOVJVWII-AWEZNQCLSA-N -1 1 378.834 1.704 20 5 GDBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CO1 ZINC000828288191 655520269 /nfs/dbraw/zinc/52/02/69/655520269.db2.gz CGJUKQFOFCWNPP-BQBZGAKWSA-N -1 1 383.195 1.952 20 5 GDBDMM CCN1CCN(c2cc(N(C)C(=O)[C@]3(C(=O)[O-])C[C@H]3C)cc([N+](=O)[O-])c2)CC1 ZINC001589744164 950643676 /nfs/dbraw/zinc/64/36/76/950643676.db2.gz CHXDFTBDMNSSLM-YJYMSZOUSA-N -1 1 390.440 1.810 20 5 GDBDMM COC(=O)C1CC2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C[C@H]2C(=O)[O-] ZINC001593819591 955020730 /nfs/dbraw/zinc/02/07/30/955020730.db2.gz JHNLQRKIDGRHLM-LBCLYVMASA-N -1 1 378.337 1.026 20 5 GDBDMM O=C([O-])Cn1cc(CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC001326552892 961109737 /nfs/dbraw/zinc/10/97/37/961109737.db2.gz PEDRWJBUXKMIOG-UHFFFAOYSA-N -1 1 375.385 1.357 20 5 GDBDMM C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC001594509166 985768933 /nfs/dbraw/zinc/76/89/33/985768933.db2.gz WODUKMNKQZWPJR-LBPRGKRZSA-N -1 1 397.453 1.788 20 5 GDBDMM CC(C)(C)[C@@H](NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC001589718008 987871833 /nfs/dbraw/zinc/87/18/33/987871833.db2.gz WKBCDLMKFJFMEG-INIZCTEOSA-N -1 1 378.429 1.332 20 5 GDBDMM CN1CCN(c2ccc(CNC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cn2)CC1 ZINC001598624347 994062770 /nfs/dbraw/zinc/06/27/70/994062770.db2.gz MAPKFMXUGYYAKY-UHFFFAOYSA-N -1 1 399.407 1.370 20 5 GDBDMM C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593338797 994929315 /nfs/dbraw/zinc/92/93/15/994929315.db2.gz DDLUXRQXOIMORS-LURJTMIESA-N -1 1 375.359 1.928 20 5 GDBDMM C[C@@]1(NC(=O)C(F)(F)F)CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594051634 997744919 /nfs/dbraw/zinc/74/49/19/997744919.db2.gz HRCYGIOTLQYWEI-CQSZACIVSA-N -1 1 375.303 1.869 20 5 GDBDMM C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000161509225 530561102 /nfs/dbraw/zinc/56/11/02/530561102.db2.gz SXOCOWVGZJARCI-GFCCVEGCSA-N -1 1 386.257 1.493 20 5 GDBDMM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000171418372 530599180 /nfs/dbraw/zinc/59/91/80/530599180.db2.gz ATPLFNAIGBURNV-VIFPVBQESA-N -1 1 392.231 1.304 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1O ZINC000091323686 530809699 /nfs/dbraw/zinc/80/96/99/530809699.db2.gz FZAMOISVIKIWSY-GZMMTYOYSA-N -1 1 379.232 1.797 20 5 GDBDMM C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290674268 531248519 /nfs/dbraw/zinc/24/85/19/531248519.db2.gz GQFBDMSFEWAAFM-LURJTMIESA-N -1 1 391.254 1.613 20 5 GDBDMM CS(=O)(=O)[N-]c1ccc(Oc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000521669598 531251075 /nfs/dbraw/zinc/25/10/75/531251075.db2.gz DGEMHTXXKKNAME-UHFFFAOYSA-N -1 1 393.424 1.619 20 5 GDBDMM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290759533 531255225 /nfs/dbraw/zinc/25/52/25/531255225.db2.gz NLDOBSYMBQQHAD-ZETCQYMHSA-N -1 1 380.213 1.860 20 5 GDBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000267799257 531452681 /nfs/dbraw/zinc/45/26/81/531452681.db2.gz TUDVSADBJFIGJQ-LLVKDONJSA-N -1 1 393.215 1.587 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)c([N+](=O)[O-])n1 ZINC000611105935 531528974 /nfs/dbraw/zinc/52/89/74/531528974.db2.gz HYDKINZQRRORHO-NSHDSACASA-N -1 1 376.341 1.101 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)NCCF ZINC000295258467 531551126 /nfs/dbraw/zinc/55/11/26/531551126.db2.gz AWJRMSDNGYDCNM-LURJTMIESA-N -1 1 388.204 1.654 20 5 GDBDMM CCn1cnnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000281127632 531583366 /nfs/dbraw/zinc/58/33/66/531583366.db2.gz IGILGRTWXGZLJT-UHFFFAOYSA-N -1 1 380.213 1.992 20 5 GDBDMM CCN1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1=O ZINC000451865633 531698838 /nfs/dbraw/zinc/69/88/38/531698838.db2.gz KPTOORPFHDHURD-SECBINFHSA-N -1 1 392.231 1.256 20 5 GDBDMM CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000451951103 531726529 /nfs/dbraw/zinc/72/65/29/531726529.db2.gz CDOITOIEMXBKML-SSDOTTSWSA-N -1 1 380.220 1.160 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)NCCF ZINC000282203839 531720169 /nfs/dbraw/zinc/72/01/69/531720169.db2.gz GASUDERVGHLZPB-SSDOTTSWSA-N -1 1 398.210 1.110 20 5 GDBDMM O=C([O-])[C@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000370567952 531993856 /nfs/dbraw/zinc/99/38/56/531993856.db2.gz JFRVMWIDWLKXPR-DGCLKSJQSA-N -1 1 389.817 1.170 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1COC2(CCOCC2)O1 ZINC000271999095 532069968 /nfs/dbraw/zinc/06/99/68/532069968.db2.gz CUCNLPSEVHSIFI-JTQLQIEISA-N -1 1 392.817 1.449 20 5 GDBDMM COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000425235051 532131415 /nfs/dbraw/zinc/13/14/15/532131415.db2.gz YJVAFDOGRFBSQR-UHFFFAOYSA-N -1 1 375.384 1.645 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(N3CCOCC3)c2)s1 ZINC000432271904 532281834 /nfs/dbraw/zinc/28/18/34/532281834.db2.gz QSNQHUBOIJRRFA-UHFFFAOYSA-N -1 1 383.451 1.971 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(F)(F)F ZINC000288338750 532283415 /nfs/dbraw/zinc/28/34/15/532283415.db2.gz HXYWQCHUEYMCKD-ZETCQYMHSA-N -1 1 383.304 1.781 20 5 GDBDMM C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289199828 532318116 /nfs/dbraw/zinc/31/81/16/532318116.db2.gz RMGNGJNZPQTUPC-VIFPVBQESA-N -1 1 398.268 1.901 20 5 GDBDMM CO[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000289771986 532332168 /nfs/dbraw/zinc/33/21/68/532332168.db2.gz ZVDZIAIDPAEBFP-WPRPVWTQSA-N -1 1 399.194 1.189 20 5 GDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000822620560 607317993 /nfs/dbraw/zinc/31/79/93/607317993.db2.gz WTWWOYPLBSFMBS-UHFFFAOYSA-N -1 1 393.161 1.523 20 5 GDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000822620560 607317994 /nfs/dbraw/zinc/31/79/94/607317994.db2.gz WTWWOYPLBSFMBS-UHFFFAOYSA-N -1 1 393.161 1.523 20 5 GDBDMM CCc1nn(CC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706476 598640187 /nfs/dbraw/zinc/64/01/87/598640187.db2.gz WVPXJLOIZMEVOJ-UHFFFAOYSA-N -1 1 383.368 1.339 20 5 GDBDMM O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738368093 599596336 /nfs/dbraw/zinc/59/63/36/599596336.db2.gz DUPHOQHGHKXIPF-UHFFFAOYSA-N -1 1 390.356 1.665 20 5 GDBDMM CCC[C@](C)(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC000736962065 600323830 /nfs/dbraw/zinc/32/38/30/600323830.db2.gz XPEZJVLEERVNIY-SFHVURJKSA-N -1 1 378.429 1.476 20 5 GDBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000600869088 601107245 /nfs/dbraw/zinc/10/72/45/601107245.db2.gz JXIDPBNSVLXJJT-LBPRGKRZSA-N -1 1 376.413 1.790 20 5 GDBDMM C[C@@]1(C(=O)[O-])CCN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000828029359 601888745 /nfs/dbraw/zinc/88/87/45/601888745.db2.gz ZFFOWIHUPPGNOA-IAGOWNOFSA-N -1 1 376.369 1.116 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826500169 607578112 /nfs/dbraw/zinc/57/81/12/607578112.db2.gz NLRBIWCDKHOFDZ-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM COCCN(C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826158021 607585254 /nfs/dbraw/zinc/58/52/54/607585254.db2.gz WZJXYKFRFWABBI-UHFFFAOYSA-N -1 1 396.429 1.355 20 5 GDBDMM C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824464886 607593702 /nfs/dbraw/zinc/59/37/02/607593702.db2.gz KYBPTZBSNKMPPD-SECBINFHSA-N -1 1 394.438 1.746 20 5 GDBDMM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826498512 607606080 /nfs/dbraw/zinc/60/60/80/607606080.db2.gz YJQDPQIMQAZLHF-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826498512 607606082 /nfs/dbraw/zinc/60/60/82/607606082.db2.gz YJQDPQIMQAZLHF-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC/C=C/c2ccccc2)c1-c1nn[n-]n1 ZINC000826500443 607615914 /nfs/dbraw/zinc/61/59/14/607615914.db2.gz YLSCIZVQXXWOAC-VMPITWQZSA-N -1 1 386.393 1.767 20 5 GDBDMM CCCC[C@H](COC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825260328 607619824 /nfs/dbraw/zinc/61/98/24/607619824.db2.gz OADIAQFVSJGEGW-SNVBAGLBSA-N -1 1 384.418 1.258 20 5 GDBDMM Cc1nc(C)c(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1 ZINC000826324394 607649836 /nfs/dbraw/zinc/64/98/36/607649836.db2.gz PEFHJRAMXNXLRX-UHFFFAOYSA-N -1 1 395.426 1.327 20 5 GDBDMM CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCOCC1 ZINC000825148340 607659015 /nfs/dbraw/zinc/65/90/15/607659015.db2.gz PQDYLQBNKIGMFH-NSHDSACASA-N -1 1 396.429 1.258 20 5 GDBDMM COc1ccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c(OC)c1C(=O)[O-] ZINC000833734507 604859503 /nfs/dbraw/zinc/85/95/03/604859503.db2.gz JBKXIATVHIJIRL-UHFFFAOYSA-N -1 1 397.365 1.693 20 5 GDBDMM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823135951 606297927 /nfs/dbraw/zinc/29/79/27/606297927.db2.gz BTDLYSHCODGCPE-UHFFFAOYSA-N -1 1 380.324 1.469 20 5 GDBDMM C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820705310 606730439 /nfs/dbraw/zinc/73/04/39/606730439.db2.gz SXJKLZVTKNXDTA-MNOVXSKESA-N -1 1 380.430 1.974 20 5 GDBDMM CC1(C)CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000820595406 606734423 /nfs/dbraw/zinc/73/44/23/606734423.db2.gz IETZGORKSBUTDS-UHFFFAOYSA-N -1 1 380.430 1.976 20 5 GDBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000820803687 606808537 /nfs/dbraw/zinc/80/85/37/606808537.db2.gz FFQHCEBLLOVQQW-SNVBAGLBSA-N -1 1 385.363 1.419 20 5 GDBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000820803687 606808538 /nfs/dbraw/zinc/80/85/38/606808538.db2.gz FFQHCEBLLOVQQW-SNVBAGLBSA-N -1 1 385.363 1.419 20 5 GDBDMM COc1cc(OC)c(OC)cc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821724482 607164678 /nfs/dbraw/zinc/16/46/78/607164678.db2.gz VNRXJVNKHNHQCO-UHFFFAOYSA-N -1 1 387.356 1.808 20 5 GDBDMM COc1cc(OC)c(OC)cc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821724482 607164679 /nfs/dbraw/zinc/16/46/79/607164679.db2.gz VNRXJVNKHNHQCO-UHFFFAOYSA-N -1 1 387.356 1.808 20 5 GDBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820506494 607204854 /nfs/dbraw/zinc/20/48/54/607204854.db2.gz AYNDGESIDCNAMR-SECBINFHSA-N -1 1 398.335 1.665 20 5 GDBDMM CN(CCc1nccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825949884 607811929 /nfs/dbraw/zinc/81/19/29/607811929.db2.gz CXJBCCYMLITLPI-UHFFFAOYSA-N -1 1 395.426 1.095 20 5 GDBDMM CC1CCC2(CC1)OC[C@@H](CNc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])O2 ZINC000824916518 609173102 /nfs/dbraw/zinc/17/31/02/609173102.db2.gz KGPOMFLNMZWXLT-NOEPWBJOSA-N -1 1 375.389 1.904 20 5 GDBDMM CC1CCC2(CC1)OC[C@@H](CNc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])O2 ZINC000824916518 609173103 /nfs/dbraw/zinc/17/31/03/609173103.db2.gz KGPOMFLNMZWXLT-NOEPWBJOSA-N -1 1 375.389 1.904 20 5 GDBDMM O=[N+]([O-])c1ccccc1OC[C@@H](O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826500525 609493169 /nfs/dbraw/zinc/49/31/69/609493169.db2.gz AYBRUBZFVUWIJH-SNVBAGLBSA-N -1 1 375.316 1.733 20 5 GDBDMM O=[N+]([O-])c1ccccc1OC[C@@H](O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826500525 609493171 /nfs/dbraw/zinc/49/31/71/609493171.db2.gz AYBRUBZFVUWIJH-SNVBAGLBSA-N -1 1 375.316 1.733 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])n1 ZINC000533700752 650211808 /nfs/dbraw/zinc/21/18/08/650211808.db2.gz WSPPSORVKHWUJL-CCGUKBGLSA-N -1 1 386.455 1.588 20 5 GDBDMM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CN1c1ccccc1 ZINC000542139587 650399605 /nfs/dbraw/zinc/39/96/05/650399605.db2.gz DSSJRNLGCBVIBC-LBPRGKRZSA-N -1 1 381.797 1.942 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000101575056 644597644 /nfs/dbraw/zinc/59/76/44/644597644.db2.gz YBOMEFQRJJUEKP-SECBINFHSA-N -1 1 387.801 1.824 20 5 GDBDMM COc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)ccc1[N+](=O)[O-] ZINC000330872599 645431320 /nfs/dbraw/zinc/43/13/20/645431320.db2.gz RZBCBXSQENCWSM-UHFFFAOYSA-N -1 1 384.332 1.993 20 5 GDBDMM COCCOC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462394136 647526028 /nfs/dbraw/zinc/52/60/28/647526028.db2.gz DKQHWPWREQWFEG-SECBINFHSA-N -1 1 397.247 1.687 20 5 GDBDMM CS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000468991625 647690072 /nfs/dbraw/zinc/69/00/72/647690072.db2.gz PFNXIZWKUBITFH-UHFFFAOYSA-N -1 1 394.427 1.677 20 5 GDBDMM CCn1nncc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599360142 652486811 /nfs/dbraw/zinc/48/68/11/652486811.db2.gz RZZXXQJBOTYSSO-UHFFFAOYSA-N -1 1 390.219 1.447 20 5 GDBDMM CS(=O)(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000740897595 654676600 /nfs/dbraw/zinc/67/66/00/654676600.db2.gz ZZZHGVUFVHHIDL-UWVGGRQHSA-N -1 1 380.419 1.368 20 5 GDBDMM COc1ccc(C(=O)[N-]C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000728704904 654894105 /nfs/dbraw/zinc/89/41/05/654894105.db2.gz NFXRTKQXVNDGOP-UHFFFAOYSA-N -1 1 383.158 1.519 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)COCC2CC2)c1Cl ZINC000830618662 654951589 /nfs/dbraw/zinc/95/15/89/654951589.db2.gz GHKDKYFHROOCHY-SECBINFHSA-N -1 1 399.252 1.967 20 5 GDBDMM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000832555627 655036538 /nfs/dbraw/zinc/03/65/38/655036538.db2.gz YZDCKNKDKVGATN-QMMMGPOBSA-N -1 1 395.231 1.976 20 5 GDBDMM C[S@@](=O)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809817601 655137930 /nfs/dbraw/zinc/13/79/30/655137930.db2.gz HEWNNQYOPCBXEZ-HXUWFJFHSA-N -1 1 375.255 1.949 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2nnnn2C2CC2)cc1Cl ZINC000809821419 655138464 /nfs/dbraw/zinc/13/84/64/655138464.db2.gz SGJFIIVIWCPXJJ-UHFFFAOYSA-N -1 1 376.757 1.187 20 5 GDBDMM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809826767 655139241 /nfs/dbraw/zinc/13/92/41/655139241.db2.gz QCGJBPDADPXCPO-SSDOTTSWSA-N -1 1 388.826 1.489 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CN(C)CCO1 ZINC000809828225 655139473 /nfs/dbraw/zinc/13/94/73/655139473.db2.gz YIVSWTUGDGBWPV-PELKAZGASA-N -1 1 381.813 1.385 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2ccccn2)cc1Cl ZINC000809829865 655139800 /nfs/dbraw/zinc/13/98/00/655139800.db2.gz NOWNZFSKOJSBFZ-GFCCVEGCSA-N -1 1 375.765 1.794 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H](CCO)C1CC1 ZINC000795858248 655191745 /nfs/dbraw/zinc/19/17/45/655191745.db2.gz VRRMATLGKBJVTL-JTQLQIEISA-N -1 1 397.222 1.936 20 5 GDBDMM C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024308 655279568 /nfs/dbraw/zinc/27/95/68/655279568.db2.gz YKCVKJAKASOBPD-DTWKUNHWSA-N -1 1 382.797 1.860 20 5 GDBDMM CC[C@](COC)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000841531657 655339175 /nfs/dbraw/zinc/33/91/75/655339175.db2.gz NRXOQXFIICURQR-CYBMUJFWSA-N -1 1 380.806 1.495 20 5 GDBDMM NC(=O)CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000817141247 655344082 /nfs/dbraw/zinc/34/40/82/655344082.db2.gz KCSDPJUKDUFKPL-UHFFFAOYSA-N -1 1 382.225 1.836 20 5 GDBDMM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])c(Br)c1 ZINC000842347708 655363036 /nfs/dbraw/zinc/36/30/36/655363036.db2.gz YENBFMFPJAIYSD-MWLCHTKSSA-N -1 1 377.216 1.369 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC[C@@]2(O)CCCOC2)cc1Cl ZINC000846027858 655445124 /nfs/dbraw/zinc/44/51/24/655445124.db2.gz XSBREXGIWNUMEL-ZDUSSCGKSA-N -1 1 382.797 1.597 20 5 GDBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848475079 655493632 /nfs/dbraw/zinc/49/36/32/655493632.db2.gz KQCZBVVFYLPCQO-UTUOFQBUSA-N -1 1 375.422 1.510 20 5 GDBDMM CO[C@@H]1CCC[C@H]([C@@H](CO)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000849424398 655532833 /nfs/dbraw/zinc/53/28/33/655532833.db2.gz YWVWBQKKSGFZGL-DMDPSCGWSA-N -1 1 376.406 1.578 20 5 GDBDMM COC(=O)N(C)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000849470035 655541461 /nfs/dbraw/zinc/54/14/61/655541461.db2.gz GRRJHIDUJHXVHJ-UHFFFAOYSA-N -1 1 386.213 1.878 20 5 GDBDMM CCO[C@@H]1C[C@](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)(C(=O)[O-])C1(C)C ZINC000262778357 939071097 /nfs/dbraw/zinc/07/10/97/939071097.db2.gz IQHKJXWGVHNTMF-PXAZEXFGSA-N -1 1 376.369 1.859 20 5 GDBDMM C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001576165301 949565172 /nfs/dbraw/zinc/56/51/72/949565172.db2.gz JGEQZYZWCWLCIZ-GWCFXTLKSA-N -1 1 380.430 1.974 20 5 GDBDMM C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001576165301 949565188 /nfs/dbraw/zinc/56/51/88/949565188.db2.gz JGEQZYZWCWLCIZ-GWCFXTLKSA-N -1 1 380.430 1.974 20 5 GDBDMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001593698831 954091735 /nfs/dbraw/zinc/09/17/35/954091735.db2.gz KBPMQEFJNUIEIO-UHFFFAOYSA-N -1 1 383.785 1.024 20 5 GDBDMM O=C([O-])CN1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC001606243530 973519479 /nfs/dbraw/zinc/51/94/79/973519479.db2.gz FOCIRLLVOIJCMI-UHFFFAOYSA-N -1 1 393.368 1.552 20 5 GDBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001599622191 994098902 /nfs/dbraw/zinc/09/89/02/994098902.db2.gz BOJOJZBVSRTFRR-LBPRGKRZSA-N -1 1 380.401 1.294 20 5 GDBDMM COC(=O)C1(C2(O)CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)CCC1 ZINC001598717331 995427966 /nfs/dbraw/zinc/42/79/66/995427966.db2.gz BGWWKQZHOHDFHN-UHFFFAOYSA-N -1 1 392.408 1.963 20 5 GDBDMM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1F ZINC000433609675 531230513 /nfs/dbraw/zinc/23/05/13/531230513.db2.gz VKECQCYQABOECP-UHFFFAOYSA-N -1 1 389.386 1.906 20 5 GDBDMM NC(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC1 ZINC000290810774 531258395 /nfs/dbraw/zinc/25/83/95/531258395.db2.gz SDZTUQGUTFZZEJ-UHFFFAOYSA-N -1 1 379.797 1.711 20 5 GDBDMM CN1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC1=O ZINC000265674755 531277512 /nfs/dbraw/zinc/27/75/12/531277512.db2.gz XPPDKAXIYTUAGE-SECBINFHSA-N -1 1 392.231 1.256 20 5 GDBDMM CC(C)(C)[C@H](O)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000560070229 531624194 /nfs/dbraw/zinc/62/41/94/531624194.db2.gz LWONOVRQLIODEO-JOYOIKCWSA-N -1 1 380.850 1.685 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCCOC1 ZINC000285048263 532024689 /nfs/dbraw/zinc/02/46/89/532024689.db2.gz CNQHYOZHFTUFPZ-SSDOTTSWSA-N -1 1 383.195 1.954 20 5 GDBDMM Cc1c(Br)cccc1C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599336681 532029819 /nfs/dbraw/zinc/02/98/19/532029819.db2.gz MPJPLSKOLSRPQY-UHFFFAOYSA-N -1 1 389.231 1.878 20 5 GDBDMM CCCN1C[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O ZINC000420711590 532044825 /nfs/dbraw/zinc/04/48/25/532044825.db2.gz YNYMENPRKMTGCY-JTQLQIEISA-N -1 1 375.834 1.785 20 5 GDBDMM CS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Cl ZINC000430693080 532254485 /nfs/dbraw/zinc/25/44/85/532254485.db2.gz 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O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000737982168 598585391 /nfs/dbraw/zinc/58/53/91/598585391.db2.gz OTLUGLDQCWMXSI-UHFFFAOYSA-N -1 1 376.332 1.973 20 5 GDBDMM O=C([O-])[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000833164658 600743631 /nfs/dbraw/zinc/74/36/31/600743631.db2.gz CGAWJEFDNYQTFP-HNNXBMFYSA-N -1 1 397.384 1.428 20 5 GDBDMM CC[C@@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000829163595 600812914 /nfs/dbraw/zinc/81/29/14/600812914.db2.gz YAXAMEAAEPFHTO-WDEREUQCSA-N -1 1 382.373 1.483 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2=CCCCC2)c1-c1nn[n-]n1 ZINC000826500223 607574531 /nfs/dbraw/zinc/57/45/31/607574531.db2.gz OTHDBQRYZSHYEJ-UHFFFAOYSA-N -1 1 378.414 1.944 20 5 GDBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000826499584 607600033 /nfs/dbraw/zinc/60/00/33/607600033.db2.gz OGQFXHWJXVHIHR-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM 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CCn1cc(S(=O)(=O)[N-]CCc2ccc(Cl)c(OC)c2)c([N+](=O)[O-])n1 ZINC000549562953 531522784 /nfs/dbraw/zinc/52/27/84/531522784.db2.gz XZWBKUFDZQPJJV-UHFFFAOYSA-N -1 1 388.833 1.994 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCCN1CCO ZINC000451673814 531663903 /nfs/dbraw/zinc/66/39/03/531663903.db2.gz XBBATPNBHXUZJY-NSHDSACASA-N -1 1 377.850 1.373 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1nncn1C ZINC000298836062 531928258 /nfs/dbraw/zinc/92/82/58/531928258.db2.gz DFTSPEDBTADHHK-SSDOTTSWSA-N -1 1 390.219 1.525 20 5 GDBDMM CCOC(=O)CSc1nnc([N-]C(=O)c2c([N+](=O)[O-])c(C)nn2C)s1 ZINC000299053651 531953574 /nfs/dbraw/zinc/95/35/74/531953574.db2.gz QOHXARJPWJEZSR-UHFFFAOYSA-N -1 1 386.415 1.396 20 5 GDBDMM O=c1nc(CCCNc2ccc(I)cc2[N+](=O)[O-])[nH][n-]1 ZINC000301569613 532036276 /nfs/dbraw/zinc/03/62/76/532036276.db2.gz XJGAVOLOWUBJJU-UHFFFAOYSA-N -1 1 389.153 1.656 20 5 GDBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(F)(F)Br ZINC000288673040 532302809 /nfs/dbraw/zinc/30/28/09/532302809.db2.gz WHUSZDXUTOODSW-UHFFFAOYSA-N -1 1 375.147 1.869 20 5 GDBDMM C[C@H](C[S@@](C)=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290041437 532335683 /nfs/dbraw/zinc/33/56/83/532335683.db2.gz ZPVZZKVYMVDLHZ-PXKKQCTMSA-N -1 1 375.255 1.947 20 5 GDBDMM O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738211433 599109825 /nfs/dbraw/zinc/10/98/25/599109825.db2.gz NIUFRLZLSLFRHF-UHFFFAOYSA-N -1 1 378.312 1.207 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cc(N2CCSCC2)cc1N1CCSCC1 ZINC000823615039 599482054 /nfs/dbraw/zinc/48/20/54/599482054.db2.gz YPOAOZZROMSLDD-UHFFFAOYSA-N -1 1 393.498 1.881 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cc(N2CCSCC2)cc1N1CCSCC1 ZINC000823615039 599482056 /nfs/dbraw/zinc/48/20/56/599482056.db2.gz YPOAOZZROMSLDD-UHFFFAOYSA-N -1 1 393.498 1.881 20 5 GDBDMM C[C@H](O)CNC(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000820479781 599559937 /nfs/dbraw/zinc/55/99/37/599559937.db2.gz BZBHFPPEDHNOAU-VIFPVBQESA-N -1 1 385.340 1.073 20 5 GDBDMM C[C@H](O)CNC(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000820479781 599559938 /nfs/dbraw/zinc/55/99/38/599559938.db2.gz BZBHFPPEDHNOAU-VIFPVBQESA-N -1 1 385.340 1.073 20 5 GDBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000600870056 601086236 /nfs/dbraw/zinc/08/62/36/601086236.db2.gz QQHVMFBJYXBPMS-CYBMUJFWSA-N -1 1 387.396 1.402 20 5 GDBDMM O=Cc1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826484232 607572377 /nfs/dbraw/zinc/57/23/77/607572377.db2.gz TVVSFEOMBUVOSM-UHFFFAOYSA-N -1 1 375.322 1.355 20 5 GDBDMM O=Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826483914 607575953 /nfs/dbraw/zinc/57/59/53/607575953.db2.gz FVNVKLKGSVANEI-UHFFFAOYSA-N -1 1 393.312 1.494 20 5 GDBDMM O=Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826483914 607575954 /nfs/dbraw/zinc/57/59/54/607575954.db2.gz FVNVKLKGSVANEI-UHFFFAOYSA-N -1 1 393.312 1.494 20 5 GDBDMM COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826212716 607578322 /nfs/dbraw/zinc/57/83/22/607578322.db2.gz ZGYKKZBCENVQGA-UHFFFAOYSA-N -1 1 395.328 1.690 20 5 GDBDMM COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826212716 607578324 /nfs/dbraw/zinc/57/83/24/607578324.db2.gz ZGYKKZBCENVQGA-UHFFFAOYSA-N -1 1 395.328 1.690 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826500495 607598129 /nfs/dbraw/zinc/59/81/29/607598129.db2.gz ZYMGUESSPDJSQZ-NWDGAFQWSA-N -1 1 386.393 1.609 20 5 GDBDMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000739204823 603153921 /nfs/dbraw/zinc/15/39/21/603153921.db2.gz DNOABULMYRDCQI-GZMMTYOYSA-N -1 1 391.377 1.516 20 5 GDBDMM Cc1nc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cs1 ZINC000826323345 607612352 /nfs/dbraw/zinc/61/23/52/607612352.db2.gz ARGKBQQUBKDFGQ-ZETCQYMHSA-N -1 1 395.426 1.579 20 5 GDBDMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000824919795 607614578 /nfs/dbraw/zinc/61/45/78/607614578.db2.gz YVSYVSRRCPHFJE-OUAUKWLOSA-N -1 1 380.430 1.878 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CCSCC2)c1-c1nn[n-]n1 ZINC000826500027 607616019 /nfs/dbraw/zinc/61/60/19/607616019.db2.gz IREAVSIEYBXBFP-UHFFFAOYSA-N -1 1 384.443 1.196 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCOC3(CCC3)C2)c1-c1nn[n-]n1 ZINC000826500151 607677571 /nfs/dbraw/zinc/67/75/71/607677571.db2.gz NCRPDXWHBHXRSH-JTQLQIEISA-N -1 1 394.413 1.155 20 5 GDBDMM CCN1C[C@H](C)N(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000833657728 605119634 /nfs/dbraw/zinc/11/96/34/605119634.db2.gz OMQHWBAZQPLIFQ-AVGNSLFASA-N -1 1 378.429 1.717 20 5 GDBDMM C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])N1CCCC[C@@H]1C ZINC000833615154 605392111 /nfs/dbraw/zinc/39/21/11/605392111.db2.gz IYWMORRUEKVNPZ-NWDGAFQWSA-N -1 1 385.442 1.834 20 5 GDBDMM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000831018530 605437783 /nfs/dbraw/zinc/43/77/83/605437783.db2.gz KIAPJPBPWAUECR-UHFFFAOYSA-N -1 1 385.340 1.738 20 5 GDBDMM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000831018530 605437789 /nfs/dbraw/zinc/43/77/89/605437789.db2.gz KIAPJPBPWAUECR-UHFFFAOYSA-N -1 1 385.340 1.738 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)COc1cccc(F)c1 ZINC000823619827 606698865 /nfs/dbraw/zinc/69/88/65/606698865.db2.gz BSXQUPNOYYDWBU-SNVBAGLBSA-N -1 1 375.320 1.161 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)COc1cccc(F)c1 ZINC000823619827 606698867 /nfs/dbraw/zinc/69/88/67/606698867.db2.gz BSXQUPNOYYDWBU-SNVBAGLBSA-N -1 1 375.320 1.161 20 5 GDBDMM Cn1c(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nc2ccc(F)cc21 ZINC000822596447 606712464 /nfs/dbraw/zinc/71/24/64/606712464.db2.gz JWNOMEXYRWDTSD-UHFFFAOYSA-N -1 1 383.347 1.850 20 5 GDBDMM Cn1c(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc2ccc(F)cc21 ZINC000822596447 606712465 /nfs/dbraw/zinc/71/24/65/606712465.db2.gz JWNOMEXYRWDTSD-UHFFFAOYSA-N -1 1 383.347 1.850 20 5 GDBDMM CS(=O)(=O)Cc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821932411 606715408 /nfs/dbraw/zinc/71/54/08/606715408.db2.gz LYFHBIHUEWHGIR-UHFFFAOYSA-N -1 1 389.397 1.327 20 5 GDBDMM CS(=O)(=O)Cc1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821932411 606715410 /nfs/dbraw/zinc/71/54/10/606715410.db2.gz LYFHBIHUEWHGIR-UHFFFAOYSA-N -1 1 389.397 1.327 20 5 GDBDMM C[C@@H](c1ccncc1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820570893 606732516 /nfs/dbraw/zinc/73/25/16/606732516.db2.gz SWADWNDYJWXDCF-JTQLQIEISA-N -1 1 389.397 1.552 20 5 GDBDMM CCCCN(CCOC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821065443 606734724 /nfs/dbraw/zinc/73/47/24/606734724.db2.gz IITLBVCYQFTXKA-UHFFFAOYSA-N -1 1 384.418 1.212 20 5 GDBDMM CC[C@]1(C)CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820951374 606736125 /nfs/dbraw/zinc/73/61/25/606736125.db2.gz YQKHSLPTNQOIPV-OAHLLOKOSA-N -1 1 380.430 1.976 20 5 GDBDMM CCN(Cc1ccccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821230157 606736148 /nfs/dbraw/zinc/73/61/48/606736148.db2.gz DBOCSTHZMMGXHQ-UHFFFAOYSA-N -1 1 389.397 1.381 20 5 GDBDMM CCS[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821456306 606736744 /nfs/dbraw/zinc/73/67/44/606736744.db2.gz OXIXDWHRURCDDS-ONGXEEELSA-N -1 1 398.470 1.727 20 5 GDBDMM CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821456299 606736841 /nfs/dbraw/zinc/73/68/41/606736841.db2.gz OXIXDWHRURCDDS-GXSJLCMTSA-N -1 1 398.470 1.727 20 5 GDBDMM O=C(CSc1cccc(-c2nn[nH]n2)c1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000823070765 607014473 /nfs/dbraw/zinc/01/44/73/607014473.db2.gz MWXFRFPGZRPLLO-UHFFFAOYSA-N -1 1 384.377 1.824 20 5 GDBDMM Cc1nn(-c2ccccc2)c(Cn2ccc(=O)c([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000822486249 607039801 /nfs/dbraw/zinc/03/98/01/607039801.db2.gz CYKXPVGOYYYAPS-UHFFFAOYSA-N -1 1 378.352 1.479 20 5 GDBDMM CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821618954 607155139 /nfs/dbraw/zinc/15/51/39/607155139.db2.gz CLVJCMPCGOLRRE-UHFFFAOYSA-N -1 1 396.335 1.878 20 5 GDBDMM O=C(NC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1)c1ccccc1 ZINC000823155323 607165919 /nfs/dbraw/zinc/16/59/19/607165919.db2.gz RILYKGBQPWSAPS-UHFFFAOYSA-N -1 1 394.395 1.569 20 5 GDBDMM O=C(NC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1)c1ccccc1 ZINC000823155323 607165920 /nfs/dbraw/zinc/16/59/20/607165920.db2.gz RILYKGBQPWSAPS-UHFFFAOYSA-N -1 1 394.395 1.569 20 5 GDBDMM CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825147914 607906686 /nfs/dbraw/zinc/90/66/86/607906686.db2.gz MDSWICPEZNPOEV-KOLCDFICSA-N -1 1 382.402 1.011 20 5 GDBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826473380 607966901 /nfs/dbraw/zinc/96/69/01/607966901.db2.gz WDXGVTORHCTWSM-UHFFFAOYSA-N -1 1 395.379 1.975 20 5 GDBDMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000826458620 609290101 /nfs/dbraw/zinc/29/01/01/609290101.db2.gz YKLPBUFPOPISDZ-UHFFFAOYSA-N -1 1 395.314 1.747 20 5 GDBDMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])co1 ZINC000539800564 650340795 /nfs/dbraw/zinc/34/07/95/650340795.db2.gz GMBSMNATMHUDGB-UHFFFAOYSA-N -1 1 387.801 1.722 20 5 GDBDMM O=C([O-])C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000548592561 650556850 /nfs/dbraw/zinc/55/68/50/650556850.db2.gz OLAMZRXXILHKNR-LLVKDONJSA-N -1 1 376.362 1.282 20 5 GDBDMM O=C([O-])C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000556773707 650711090 /nfs/dbraw/zinc/71/10/90/650711090.db2.gz LHSQTZBYKFXXFE-ZCFIWIBFSA-N -1 1 376.334 1.978 20 5 GDBDMM CC(=O)NCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000193872933 645056301 /nfs/dbraw/zinc/05/63/01/645056301.db2.gz GFFQFJQPFFLIAJ-UHFFFAOYSA-N -1 1 380.220 1.162 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CN3CCN2CCC3)cc1Cl ZINC000917061350 660205061 /nfs/dbraw/zinc/20/50/61/660205061.db2.gz HCIBTQYYSUVWSM-JTQLQIEISA-N -1 1 392.840 1.056 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C2CCN(c3nccs3)CC2)c([N+](=O)[O-])n1 ZINC000461800598 647502264 /nfs/dbraw/zinc/50/22/64/647502264.db2.gz ZUYNJNIFUZHJMY-UHFFFAOYSA-N -1 1 386.459 1.215 20 5 GDBDMM CN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000481348292 647875311 /nfs/dbraw/zinc/87/53/11/647875311.db2.gz YWFTXNNNDQZJTL-SECBINFHSA-N -1 1 392.231 1.256 20 5 GDBDMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCOCC1 ZINC000595401013 652416662 /nfs/dbraw/zinc/41/66/62/652416662.db2.gz PIOPYWCYOVAUAS-UHFFFAOYSA-N -1 1 392.455 1.826 20 5 GDBDMM CNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000603556097 652724729 /nfs/dbraw/zinc/72/47/29/652724729.db2.gz LFLVZLFOTIOXCR-UHFFFAOYSA-N -1 1 391.452 1.043 20 5 GDBDMM NC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[nH]n1 ZINC000611164865 652909103 /nfs/dbraw/zinc/90/91/03/652909103.db2.gz DERWFRSAFULIAE-UHFFFAOYSA-N -1 1 379.276 1.236 20 5 GDBDMM CCOC(=O)C(F)(F)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000829915910 654918887 /nfs/dbraw/zinc/91/88/87/654918887.db2.gz PNYSBEBDWVHVRT-SNVBAGLBSA-N -1 1 384.382 1.912 20 5 GDBDMM O=C1CCCCN1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000730265760 654927673 /nfs/dbraw/zinc/92/76/73/654927673.db2.gz FKWXOMIMJAGPHX-UHFFFAOYSA-N -1 1 375.834 1.929 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]CCCNC(=O)OC(C)(C)C)c([N+](=O)[O-])n1 ZINC000754802950 654980631 /nfs/dbraw/zinc/98/06/31/654980631.db2.gz MSHKGMJOFKBYOT-UHFFFAOYSA-N -1 1 377.423 1.004 20 5 GDBDMM CCN1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1=O ZINC000832264863 655024791 /nfs/dbraw/zinc/02/47/91/655024791.db2.gz HMUWWVYJQILMQC-SSDOTTSWSA-N -1 1 382.225 1.801 20 5 GDBDMM Cn1nccc1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757744265 655043167 /nfs/dbraw/zinc/04/31/67/655043167.db2.gz IGLXLMSUUYTKAQ-UHFFFAOYSA-N -1 1 393.194 1.708 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOC[C@@H]2CCOC2)cc1Cl ZINC000809817108 655137744 /nfs/dbraw/zinc/13/77/44/655137744.db2.gz XMCKOUIFIJCPSR-SECBINFHSA-N -1 1 382.797 1.719 20 5 GDBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H]1OC ZINC000809830933 655140016 /nfs/dbraw/zinc/14/00/16/655140016.db2.gz JRYLUMUDNNIRSM-XWIASGKRSA-N -1 1 382.797 1.858 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])NCc1ccco1 ZINC000814980183 655276564 /nfs/dbraw/zinc/27/65/64/655276564.db2.gz CTKQOXJHJHLNMQ-UHFFFAOYSA-N -1 1 391.764 1.575 20 5 GDBDMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl)N(C)C ZINC000798833688 655278890 /nfs/dbraw/zinc/27/88/90/655278890.db2.gz KXVSIWBWDVCCCC-LBPRGKRZSA-N -1 1 378.838 1.222 20 5 GDBDMM CCOC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815033785 655281153 /nfs/dbraw/zinc/28/11/53/655281153.db2.gz TVEPRKKICRTDJH-QMMMGPOBSA-N -1 1 395.796 1.896 20 5 GDBDMM 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CC1(C)COCCN1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000171760515 530602862 /nfs/dbraw/zinc/60/28/62/530602862.db2.gz JQUITDWUFLVAGE-UHFFFAOYSA-N -1 1 377.850 1.637 20 5 GDBDMM CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000119893059 530932843 /nfs/dbraw/zinc/93/28/43/530932843.db2.gz DXZAFUJFPFWVMA-UHFFFAOYSA-N -1 1 394.247 1.408 20 5 GDBDMM C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000264067488 531166984 /nfs/dbraw/zinc/16/69/84/531166984.db2.gz AYUNPOCNBCGPSJ-MRVPVSSYSA-N -1 1 390.219 1.316 20 5 GDBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000519876314 531222373 /nfs/dbraw/zinc/22/23/73/531222373.db2.gz SPIGWLNSNIZLIT-UHFFFAOYSA-N -1 1 385.423 1.493 20 5 GDBDMM CCNC(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000277012132 531249293 /nfs/dbraw/zinc/24/92/93/531249293.db2.gz VVBQRJJYAKMIHS-UHFFFAOYSA-N -1 1 375.834 1.833 20 5 GDBDMM NC(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)O1 ZINC000290813572 531257878 /nfs/dbraw/zinc/25/78/78/531257878.db2.gz SIVSICGZHTYZSZ-LDWIPMOCSA-N -1 1 398.224 1.213 20 5 GDBDMM C[C@H](CCCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000277739563 531307710 /nfs/dbraw/zinc/30/77/10/531307710.db2.gz IMMSETJPGUMZAO-SSDOTTSWSA-N -1 1 385.211 1.936 20 5 GDBDMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000538013270 531464504 /nfs/dbraw/zinc/46/45/04/531464504.db2.gz PZBVQXVWDNKKRX-UHFFFAOYSA-N -1 1 389.386 1.906 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])n1 ZINC000611107777 531528007 /nfs/dbraw/zinc/52/80/07/531528007.db2.gz JTQHHCCITHEZOW-NSHDSACASA-N -1 1 390.487 1.534 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@H](CC(=O)OC)c2cccs2)c([N+](=O)[O-])n1 ZINC000611104736 531528840 /nfs/dbraw/zinc/52/88/40/531528840.db2.gz KJQVYSKBAUVFRL-SECBINFHSA-N -1 1 388.427 1.455 20 5 GDBDMM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(I)ccc1[O-] ZINC000611237076 531531439 /nfs/dbraw/zinc/53/14/39/531531439.db2.gz VFYMNGHZAGEKCE-UHFFFAOYSA-N -1 1 388.121 1.891 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CC[C@@H](CO)C1 ZINC000295729217 531616107 /nfs/dbraw/zinc/61/61/07/531616107.db2.gz MNNULMJCZLJQOM-SCZZXKLOSA-N -1 1 379.232 1.797 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ncnn1C ZINC000416473783 531634114 /nfs/dbraw/zinc/63/41/14/531634114.db2.gz WYDSTKUMGAQOHQ-ZETCQYMHSA-N -1 1 379.320 1.782 20 5 GDBDMM CCC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(N)=O ZINC000285324670 532067277 /nfs/dbraw/zinc/06/72/77/532067277.db2.gz JGBBPQCSXLVHOP-QMMMGPOBSA-N -1 1 380.220 1.290 20 5 GDBDMM O=C([N-]N1CCCNC1=O)c1ccc([N+](=O)[O-])cc1I ZINC000272953312 532125002 /nfs/dbraw/zinc/12/50/02/532125002.db2.gz OJOXABSVOKWBAV-UHFFFAOYSA-N -1 1 390.137 1.260 20 5 GDBDMM COCCn1cc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1 ZINC000289751085 532331617 /nfs/dbraw/zinc/33/16/17/532331617.db2.gz GKINLDSJCOSCPY-UHFFFAOYSA-N -1 1 392.796 1.709 20 5 GDBDMM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738138565 599110143 /nfs/dbraw/zinc/11/01/43/599110143.db2.gz FXRHLOKOMUHADG-UHFFFAOYSA-N -1 1 377.324 1.812 20 5 GDBDMM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738138565 599110144 /nfs/dbraw/zinc/11/01/44/599110144.db2.gz FXRHLOKOMUHADG-UHFFFAOYSA-N -1 1 377.324 1.812 20 5 GDBDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[nH]n1 ZINC000819957961 599231909 /nfs/dbraw/zinc/23/19/09/599231909.db2.gz FSRRFQHPSKYTME-UHFFFAOYSA-N -1 1 392.401 1.596 20 5 GDBDMM CCOc1cc(C(=O)N=c2cc[nH]cc2-c2nn[n-]n2)c([N+](=O)[O-])cc1OC ZINC000736628979 598381498 /nfs/dbraw/zinc/38/14/98/598381498.db2.gz ZWIVABUYMLSEKH-UHFFFAOYSA-N -1 1 385.340 1.251 20 5 GDBDMM O=[N+]([O-])c1cnc(Sc2nnc(N3CCCC3)s2)c(-c2nn[n-]n2)c1 ZINC000738373346 598500125 /nfs/dbraw/zinc/50/01/25/598500125.db2.gz APKKPLHCKIIFTE-UHFFFAOYSA-N -1 1 377.415 1.773 20 5 GDBDMM CCc1[nH]nc(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000737246067 600116528 /nfs/dbraw/zinc/11/65/28/600116528.db2.gz QWLUVEJICMCHSM-NSHDSACASA-N -1 1 387.396 1.929 20 5 GDBDMM CCN(C1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1)S(C)(=O)=O ZINC000825395549 607452056 /nfs/dbraw/zinc/45/20/56/607452056.db2.gz RGVZYPQBDWHCET-UHFFFAOYSA-N -1 1 395.445 1.025 20 5 GDBDMM CCN(C1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC000825395549 607452058 /nfs/dbraw/zinc/45/20/58/607452058.db2.gz RGVZYPQBDWHCET-UHFFFAOYSA-N -1 1 395.445 1.025 20 5 GDBDMM COC(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000484537945 600689128 /nfs/dbraw/zinc/68/91/28/600689128.db2.gz IZPKLAACRVJLJZ-UHFFFAOYSA-N -1 1 380.334 1.880 20 5 GDBDMM C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000485859347 602249656 /nfs/dbraw/zinc/24/96/56/602249656.db2.gz BYRMMZPCALGLFT-SNVBAGLBSA-N -1 1 393.377 1.599 20 5 GDBDMM C[C@H](Cc1cccs1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824457055 607584495 /nfs/dbraw/zinc/58/44/95/607584495.db2.gz DABAZIBKEWZSSE-SECBINFHSA-N -1 1 394.438 1.746 20 5 GDBDMM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826498197 607677879 /nfs/dbraw/zinc/67/78/79/607677879.db2.gz KWUWEJIFGPIALT-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826498197 607677881 /nfs/dbraw/zinc/67/78/81/607677881.db2.gz KWUWEJIFGPIALT-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=C([O-])N1CC(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000834069209 605726955 /nfs/dbraw/zinc/72/69/55/605726955.db2.gz SGPUOTZZQZSWMA-UHFFFAOYSA-N -1 1 384.197 1.790 20 5 GDBDMM N=C(NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1COCCN1C(=O)[O-] ZINC000833979060 605731403 /nfs/dbraw/zinc/73/14/03/605731403.db2.gz CMNBAHAHVLVBJX-CYBMUJFWSA-N -1 1 391.340 1.627 20 5 GDBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000823294477 606294882 /nfs/dbraw/zinc/29/48/82/606294882.db2.gz CBLQKJLJYIVHFL-UHFFFAOYSA-N -1 1 392.335 1.919 20 5 GDBDMM CCCS(=O)(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821139170 606644846 /nfs/dbraw/zinc/64/48/46/606644846.db2.gz QRHVKYVZQOKGEP-UHFFFAOYSA-N -1 1 395.445 1.391 20 5 GDBDMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821572041 606715213 /nfs/dbraw/zinc/71/52/13/606715213.db2.gz PHKAEEBTAWJWAI-SNVBAGLBSA-N -1 1 390.404 1.616 20 5 GDBDMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821572041 606715215 /nfs/dbraw/zinc/71/52/15/606715215.db2.gz PHKAEEBTAWJWAI-SNVBAGLBSA-N -1 1 390.404 1.616 20 5 GDBDMM Cc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(N2CCOCC2)c1 ZINC000822238638 606719768 /nfs/dbraw/zinc/71/97/68/606719768.db2.gz PBONTAPKOKWQSC-UHFFFAOYSA-N -1 1 396.411 1.927 20 5 GDBDMM Cc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(N2CCOCC2)c1 ZINC000822238638 606719771 /nfs/dbraw/zinc/71/97/71/606719771.db2.gz PBONTAPKOKWQSC-UHFFFAOYSA-N -1 1 396.411 1.927 20 5 GDBDMM Cc1ccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1 ZINC000822237151 606731230 /nfs/dbraw/zinc/73/12/30/606731230.db2.gz HNMCMLYALRDWGM-UHFFFAOYSA-N -1 1 388.409 1.904 20 5 GDBDMM CCCN(CC(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821094465 606732618 /nfs/dbraw/zinc/73/26/18/606732618.db2.gz JPNWDJGMXLCKPB-UHFFFAOYSA-N -1 1 376.345 1.441 20 5 GDBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000823027090 607205222 /nfs/dbraw/zinc/20/52/22/607205222.db2.gz LJCPQPJMQKUDCM-UHFFFAOYSA-N -1 1 384.308 1.276 20 5 GDBDMM CN(C[C@@H]1CCCN1c1cccnn1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825907700 607841986 /nfs/dbraw/zinc/84/19/86/607841986.db2.gz BHFGUESMQMNSBF-ZDUSSCGKSA-N -1 1 381.400 1.670 20 5 GDBDMM CN(C[C@@H]1CCCN1c1cccnn1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825907700 607841987 /nfs/dbraw/zinc/84/19/87/607841987.db2.gz BHFGUESMQMNSBF-ZDUSSCGKSA-N -1 1 381.400 1.670 20 5 GDBDMM O=[N+]([O-])c1cccc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826499244 607974715 /nfs/dbraw/zinc/97/47/15/607974715.db2.gz AWFVWJJWXGNJFY-UHFFFAOYSA-N -1 1 392.372 1.435 20 5 GDBDMM O=[N+]([O-])c1cccc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826499244 607974716 /nfs/dbraw/zinc/97/47/16/607974716.db2.gz AWFVWJJWXGNJFY-UHFFFAOYSA-N -1 1 392.372 1.435 20 5 GDBDMM CC[C@@H](CSC)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825126603 608306792 /nfs/dbraw/zinc/30/67/92/608306792.db2.gz JFXMSTPDZHOYHG-VIFPVBQESA-N -1 1 386.459 1.537 20 5 GDBDMM CC1(C)C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C(C)(C)O1 ZINC000824790811 609330541 /nfs/dbraw/zinc/33/05/41/609330541.db2.gz RLOCZLASBYACFW-LLVKDONJSA-N -1 1 396.429 1.399 20 5 GDBDMM CCn1cc(S(=O)(=O)Nc2cc(F)cc(C(=O)[O-])c2F)c([N+](=O)[O-])n1 ZINC000548588742 650556017 /nfs/dbraw/zinc/55/60/17/650556017.db2.gz VIGFIBGQPBAKLT-UHFFFAOYSA-N -1 1 376.297 1.588 20 5 GDBDMM COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCSCC1 ZINC000548622082 650558031 /nfs/dbraw/zinc/55/80/31/650558031.db2.gz QWKFFICXXFKXGI-UHFFFAOYSA-N -1 1 394.858 1.965 20 5 GDBDMM CN1CCN(c2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)nc2)CC1 ZINC000120018162 644665573 /nfs/dbraw/zinc/66/55/73/644665573.db2.gz CKCVLZMYAXTZQK-UHFFFAOYSA-N -1 1 383.455 1.604 20 5 GDBDMM C[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[S@@](C)=O ZINC000124191825 644704864 /nfs/dbraw/zinc/70/48/64/644704864.db2.gz SBJOVWHGISKEEI-SQFXPLBJSA-N -1 1 399.288 1.793 20 5 GDBDMM CC1(C)[C@H](O)C[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000128433353 644729582 /nfs/dbraw/zinc/72/95/82/644729582.db2.gz YNEMTBOQPKYYCJ-WDEREUQCSA-N -1 1 379.232 1.795 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1nc[nH]n1 ZINC000128947688 644732318 /nfs/dbraw/zinc/73/23/18/644732318.db2.gz YPZPOXRRCUEZAF-LURJTMIESA-N -1 1 376.192 1.515 20 5 GDBDMM O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000369560462 645649671 /nfs/dbraw/zinc/64/96/71/645649671.db2.gz ZBENRFBJRWOUGL-SNVBAGLBSA-N -1 1 383.162 1.084 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCS(=O)(=O)c1ccccc1 ZINC000918193407 660231681 /nfs/dbraw/zinc/23/16/81/660231681.db2.gz DQMLRBWXMJCEMO-UHFFFAOYSA-N -1 1 388.398 1.486 20 5 GDBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000463247613 647554898 /nfs/dbraw/zinc/55/48/98/647554898.db2.gz KCPCUSCDLQRZNW-UHFFFAOYSA-N -1 1 393.834 1.504 20 5 GDBDMM CO[C@@H](C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000594573335 652316748 /nfs/dbraw/zinc/31/67/48/652316748.db2.gz LVJIWJBKCZSDKZ-JQWIXIFHSA-N -1 1 376.362 1.281 20 5 GDBDMM CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000769904118 654491642 /nfs/dbraw/zinc/49/16/42/654491642.db2.gz CBTWUWAJFUMPTQ-MRVPVSSYSA-N -1 1 395.231 1.835 20 5 GDBDMM CS(=O)(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000740897594 654676553 /nfs/dbraw/zinc/67/65/53/654676553.db2.gz ZZZHGVUFVHHIDL-NXEZZACHSA-N -1 1 380.419 1.368 20 5 GDBDMM Cc1nonc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742326433 654702857 /nfs/dbraw/zinc/70/28/57/654702857.db2.gz SBMNANXINJIWMO-UHFFFAOYSA-N -1 1 377.176 1.527 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)c1 ZINC000751150472 654874611 /nfs/dbraw/zinc/87/46/11/654874611.db2.gz GGRJSJAUISCVHS-MRVPVSSYSA-N -1 1 393.137 1.559 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CCO)C1CC1 ZINC000751442069 654891238 /nfs/dbraw/zinc/89/12/38/654891238.db2.gz ZRNYXVUEQUNJQC-JTQLQIEISA-N -1 1 379.232 1.797 20 5 GDBDMM CCOC(=O)C(F)(F)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000829915908 654918719 /nfs/dbraw/zinc/91/87/19/654918719.db2.gz PNYSBEBDWVHVRT-JTQLQIEISA-N -1 1 384.382 1.912 20 5 GDBDMM C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831315120 654979945 /nfs/dbraw/zinc/97/99/45/654979945.db2.gz RNPHFVJUBNFWCB-MADCSZMMSA-N -1 1 385.225 1.720 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](O)c2c(F)cccc2F)c([N+](=O)[O-])n1 ZINC000754805226 654980595 /nfs/dbraw/zinc/98/05/95/654980595.db2.gz LOUHVWYRWMEAFK-JTQLQIEISA-N -1 1 376.341 1.101 20 5 GDBDMM CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832067305 655008590 /nfs/dbraw/zinc/00/85/90/655008590.db2.gz RVFRCZWBUZFRGD-QPUJVOFHSA-N -1 1 382.797 1.717 20 5 GDBDMM COC(=O)N1CC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809827080 655139285 /nfs/dbraw/zinc/13/92/85/655139285.db2.gz AWDIJKSZYFUTON-UHFFFAOYSA-N -1 1 384.197 1.631 20 5 GDBDMM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)C ZINC000809827241 655139303 /nfs/dbraw/zinc/13/93/03/655139303.db2.gz HTXHVNXSPMJZMN-NSHDSACASA-N -1 1 384.241 1.951 20 5 GDBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(=O)n1C ZINC000809839777 655141312 /nfs/dbraw/zinc/14/13/12/655141312.db2.gz NFBJUIXDXGFDQU-UHFFFAOYSA-N -1 1 389.792 1.873 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)NC(=O)OC(C)(C)C)c([N+](=O)[O-])n1 ZINC000795210329 655166889 /nfs/dbraw/zinc/16/68/89/655166889.db2.gz ZRMDHJQGTMBRIF-VIFPVBQESA-N -1 1 377.423 1.003 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1nnc2n1CCC2 ZINC000814982003 655276588 /nfs/dbraw/zinc/27/65/88/655276588.db2.gz UHSWPSOLUIZJKF-UHFFFAOYSA-N -1 1 375.769 1.404 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])Nc1cccnc1 ZINC000815008116 655277230 /nfs/dbraw/zinc/27/72/30/655277230.db2.gz ONDCZWUSMWAHNY-UHFFFAOYSA-N -1 1 388.764 1.699 20 5 GDBDMM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1=O ZINC000815012544 655278065 /nfs/dbraw/zinc/27/80/65/655278065.db2.gz DPYSDIJXLLRLJY-SNVBAGLBSA-N -1 1 379.797 1.675 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1(N2CCOCC2)CC1 ZINC000815038246 655282045 /nfs/dbraw/zinc/28/20/45/655282045.db2.gz DZCWVWCGEIRXFR-UHFFFAOYSA-N -1 1 393.824 1.530 20 5 GDBDMM Cc1nnc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1C ZINC000840953655 655306114 /nfs/dbraw/zinc/30/61/14/655306114.db2.gz ZXLCYMSJWJHNTO-UHFFFAOYSA-N -1 1 377.785 1.345 20 5 GDBDMM Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C2 ZINC000848491548 655494238 /nfs/dbraw/zinc/49/42/38/655494238.db2.gz VZRJTRSMJFJHFG-ZETCQYMHSA-N -1 1 389.796 1.352 20 5 GDBDMM Cn1cnc(CCC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1 ZINC000827924819 655517830 /nfs/dbraw/zinc/51/78/30/655517830.db2.gz JWCYLCMYXVFRDD-UHFFFAOYSA-N -1 1 394.240 1.941 20 5 GDBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000849419098 655531002 /nfs/dbraw/zinc/53/10/02/655531002.db2.gz KGPSNRNUOGYPSZ-LBPRGKRZSA-N -1 1 378.834 1.968 20 5 GDBDMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CS1(=O)=O ZINC000849452947 655538648 /nfs/dbraw/zinc/53/86/48/655538648.db2.gz XLYDBUUMDOXBDB-WCBMZHEXSA-N -1 1 382.847 1.492 20 5 GDBDMM CCn1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000859253100 655772050 /nfs/dbraw/zinc/77/20/50/655772050.db2.gz ZQUKBEHORFJLCH-UHFFFAOYSA-N -1 1 390.219 1.447 20 5 GDBDMM COC(=O)c1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1OC ZINC000821667021 945789142 /nfs/dbraw/zinc/78/91/42/945789142.db2.gz QOENHASJNIJFLO-UHFFFAOYSA-N -1 1 385.340 1.577 20 5 GDBDMM COC(=O)c1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1OC ZINC000821667021 945789148 /nfs/dbraw/zinc/78/91/48/945789148.db2.gz QOENHASJNIJFLO-UHFFFAOYSA-N -1 1 385.340 1.577 20 5 GDBDMM C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001576167306 949610126 /nfs/dbraw/zinc/61/01/26/949610126.db2.gz CKMSIKCTIRDNJM-GHMZBOCLSA-N -1 1 380.430 1.880 20 5 GDBDMM C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001576167306 949610140 /nfs/dbraw/zinc/61/01/40/949610140.db2.gz CKMSIKCTIRDNJM-GHMZBOCLSA-N -1 1 380.430 1.880 20 5 GDBDMM COC(=O)C1CC2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C[C@@H]2C(=O)[O-] ZINC001593819592 955020458 /nfs/dbraw/zinc/02/04/58/955020458.db2.gz JHNLQRKIDGRHLM-OPEGHZNSSA-N -1 1 378.337 1.026 20 5 GDBDMM CC(C)[C@H](CNC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001588827191 961679066 /nfs/dbraw/zinc/67/90/66/961679066.db2.gz NQHXURFMLSGKFA-AWEZNQCLSA-N -1 1 393.444 1.825 20 5 GDBDMM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000852737536 969291095 /nfs/dbraw/zinc/29/10/95/969291095.db2.gz TZYUZJSMCQHQOO-PWSUYJOCSA-N -1 1 375.303 1.691 20 5 GDBDMM COC(CN(CCC(=O)[O-])C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)OC ZINC001599045373 999147008 /nfs/dbraw/zinc/14/70/08/999147008.db2.gz KEPZFQWKVOIQEX-UHFFFAOYSA-N -1 1 392.368 1.521 20 5 GDBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000016101325 530564070 /nfs/dbraw/zinc/56/40/70/530564070.db2.gz OKPXWPMUCNEGKF-UHFFFAOYSA-N -1 1 387.395 1.052 20 5 GDBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000119528018 530927624 /nfs/dbraw/zinc/92/76/24/530927624.db2.gz WAOLQZJQPLYKEF-CQSZACIVSA-N -1 1 391.877 1.883 20 5 GDBDMM CCn1cnnc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000263911851 531160288 /nfs/dbraw/zinc/16/02/88/531160288.db2.gz LDDONLWYMHBMJG-UHFFFAOYSA-N -1 1 390.219 1.447 20 5 GDBDMM C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000263926053 531160812 /nfs/dbraw/zinc/16/08/12/531160812.db2.gz VHTQRCSLOVKCEB-VIFPVBQESA-N -1 1 389.231 1.921 20 5 GDBDMM Cn1cc([C@H](CO)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cn1 ZINC000290830120 531259106 /nfs/dbraw/zinc/25/91/06/531259106.db2.gz UNNJRNSOOLOFMI-JTQLQIEISA-N -1 1 395.224 1.647 20 5 GDBDMM CCO[C@H]1C[C@]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)(C(=O)OC)C1(C)C ZINC000444286940 531399790 /nfs/dbraw/zinc/39/97/90/531399790.db2.gz NXVDROHSHMCNSZ-XPTSAGLGSA-N -1 1 392.455 1.681 20 5 GDBDMM O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445178980 531404486 /nfs/dbraw/zinc/40/44/86/531404486.db2.gz ITUCXNDQPHPKCU-UHFFFAOYSA-N -1 1 385.785 1.553 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CC(=O)OC)c2cccs2)c([N+](=O)[O-])n1 ZINC000611104738 531528916 /nfs/dbraw/zinc/52/89/16/531528916.db2.gz KJQVYSKBAUVFRL-VIFPVBQESA-N -1 1 388.427 1.455 20 5 GDBDMM Cc1nnsc1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000490416007 531529013 /nfs/dbraw/zinc/52/90/13/531529013.db2.gz LTBADZMTPXWVMV-UHFFFAOYSA-N -1 1 393.244 1.996 20 5 GDBDMM COC(=O)CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCOCC1 ZINC000551574410 531540703 /nfs/dbraw/zinc/54/07/03/531540703.db2.gz UURQRNYHYFTWPN-UHFFFAOYSA-N -1 1 378.428 1.295 20 5 GDBDMM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295599913 531602345 /nfs/dbraw/zinc/60/23/45/531602345.db2.gz CEOGDOXWHPJPKD-ZETCQYMHSA-N -1 1 380.213 1.860 20 5 GDBDMM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(=O)n2[n-]cnc2n1 ZINC000560798683 531666781 /nfs/dbraw/zinc/66/67/81/531666781.db2.gz WQXQARFJTHPAHO-UHFFFAOYSA-N -1 1 379.130 1.341 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCc1cn[nH]c1 ZINC000590586371 531693605 /nfs/dbraw/zinc/69/36/05/531693605.db2.gz LTNHYMYUKCYHRS-UHFFFAOYSA-N -1 1 375.204 1.601 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)NCCc1ccccc1 ZINC000451935383 531718034 /nfs/dbraw/zinc/71/80/34/531718034.db2.gz ITUOSOGVRHJGRJ-NSHDSACASA-N -1 1 383.451 1.682 20 5 GDBDMM O=C(c1ccccn1)N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000368453632 531912926 /nfs/dbraw/zinc/91/29/26/531912926.db2.gz LSUKYCNHJBXRNH-JTQLQIEISA-N -1 1 382.423 1.244 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCS(=O)(=O)C1 ZINC000286796386 532176436 /nfs/dbraw/zinc/17/64/36/532176436.db2.gz SNEIWRWGROOBGF-VIFPVBQESA-N -1 1 382.847 1.351 20 5 GDBDMM Cc1c(Cl)cc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000275247506 532280324 /nfs/dbraw/zinc/28/03/24/532280324.db2.gz HIIVKHOXTQISAP-UHFFFAOYSA-N -1 1 391.833 1.338 20 5 GDBDMM C[C@@]1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCOC1=O ZINC000289564947 532328177 /nfs/dbraw/zinc/32/81/77/532328177.db2.gz NYBYFOSUULYGOH-LLVKDONJSA-N -1 1 379.188 1.341 20 5 GDBDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000823477752 599205118 /nfs/dbraw/zinc/20/51/18/599205118.db2.gz AXBWPBCARZVZOD-UHFFFAOYSA-N -1 1 395.379 1.854 20 5 GDBDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000823477752 599205121 /nfs/dbraw/zinc/20/51/21/599205121.db2.gz AXBWPBCARZVZOD-UHFFFAOYSA-N -1 1 395.379 1.854 20 5 GDBDMM C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000485859346 599759122 /nfs/dbraw/zinc/75/91/22/599759122.db2.gz BYRMMZPCALGLFT-JTQLQIEISA-N -1 1 393.377 1.599 20 5 GDBDMM Cc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)ccc1F ZINC000826266792 607582103 /nfs/dbraw/zinc/58/21/03/607582103.db2.gz BLWWTFRCNKSYGM-UHFFFAOYSA-N -1 1 392.372 1.701 20 5 GDBDMM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826498275 607605949 /nfs/dbraw/zinc/60/59/49/607605949.db2.gz OAXPFGDYGZWSQD-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826498275 607605951 /nfs/dbraw/zinc/60/59/51/607605951.db2.gz OAXPFGDYGZWSQD-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000824919796 607614750 /nfs/dbraw/zinc/61/47/50/607614750.db2.gz YVSYVSRRCPHFJE-VWYCJHECSA-N -1 1 380.430 1.878 20 5 GDBDMM Cc1cnc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1 ZINC000826318715 607649255 /nfs/dbraw/zinc/64/92/55/607649255.db2.gz WHNKODSGGTZYFX-UHFFFAOYSA-N -1 1 381.399 1.018 20 5 GDBDMM C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])N1CCC[C@@H](C)C1 ZINC000833613741 605391697 /nfs/dbraw/zinc/39/16/97/605391697.db2.gz HAKYDSBMTMBMNU-VXGBXAGGSA-N -1 1 385.442 1.692 20 5 GDBDMM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822969448 606296773 /nfs/dbraw/zinc/29/67/73/606296773.db2.gz OLQIUJGEKZEHJW-UHFFFAOYSA-N -1 1 397.351 1.239 20 5 GDBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000821601682 606443315 /nfs/dbraw/zinc/44/33/15/606443315.db2.gz UQKAMDGOMFXOBU-UHFFFAOYSA-N -1 1 394.399 1.697 20 5 GDBDMM COc1cc(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821728077 606648041 /nfs/dbraw/zinc/64/80/41/606648041.db2.gz ROLXPKOFGPGSQU-UHFFFAOYSA-N -1 1 386.324 1.301 20 5 GDBDMM COc1cc(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821728077 606648042 /nfs/dbraw/zinc/64/80/42/606648042.db2.gz ROLXPKOFGPGSQU-UHFFFAOYSA-N -1 1 386.324 1.301 20 5 GDBDMM C[C@H](O)CNC(=O)c1cccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820480227 606710659 /nfs/dbraw/zinc/71/06/59/606710659.db2.gz HADVJUZCSBDKFR-VIFPVBQESA-N -1 1 385.340 1.073 20 5 GDBDMM C[C@H](O)CNC(=O)c1cccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820480227 606710661 /nfs/dbraw/zinc/71/06/61/606710661.db2.gz HADVJUZCSBDKFR-VIFPVBQESA-N -1 1 385.340 1.073 20 5 GDBDMM CN(Cc1cc(Br)cn1C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821607535 606719696 /nfs/dbraw/zinc/71/96/96/606719696.db2.gz SRLRPPYQBXAYHG-UHFFFAOYSA-N -1 1 393.205 1.907 20 5 GDBDMM CN(Cc1cc(Br)cn1C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821607535 606719697 /nfs/dbraw/zinc/71/96/97/606719697.db2.gz SRLRPPYQBXAYHG-UHFFFAOYSA-N -1 1 393.205 1.907 20 5 GDBDMM CC(C)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820069321 606732586 /nfs/dbraw/zinc/73/25/86/606732586.db2.gz ZYEIFFKJERGZRR-NSHDSACASA-N -1 1 380.430 1.974 20 5 GDBDMM CCC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821039545 606736096 /nfs/dbraw/zinc/73/60/96/606736096.db2.gz DHMDDEFPAGZUSI-NSHDSACASA-N -1 1 380.430 1.976 20 5 GDBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000820804432 606783082 /nfs/dbraw/zinc/78/30/82/606783082.db2.gz SICMDNBIDYVNPO-LLVKDONJSA-N -1 1 399.390 1.415 20 5 GDBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000820804432 606783084 /nfs/dbraw/zinc/78/30/84/606783084.db2.gz SICMDNBIDYVNPO-LLVKDONJSA-N -1 1 399.390 1.415 20 5 GDBDMM O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000823646916 606844678 /nfs/dbraw/zinc/84/46/78/606844678.db2.gz CUBJZPIMBVUZPQ-UHFFFAOYSA-N -1 1 390.356 1.665 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000823620793 607166874 /nfs/dbraw/zinc/16/68/74/607166874.db2.gz QIIFZUNQLHBTEL-OAHLLOKOSA-N -1 1 396.411 1.655 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000823620793 607166876 /nfs/dbraw/zinc/16/68/76/607166876.db2.gz QIIFZUNQLHBTEL-OAHLLOKOSA-N -1 1 396.411 1.655 20 5 GDBDMM COCCOc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1OC ZINC000821693133 607167111 /nfs/dbraw/zinc/16/71/11/607167111.db2.gz STDVODOFRFRUGZ-UHFFFAOYSA-N -1 1 387.356 1.947 20 5 GDBDMM COCCOc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1OC ZINC000821693133 607167112 /nfs/dbraw/zinc/16/71/12/607167112.db2.gz STDVODOFRFRUGZ-UHFFFAOYSA-N -1 1 387.356 1.947 20 5 GDBDMM CC1(C)C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824788860 607819327 /nfs/dbraw/zinc/81/93/27/607819327.db2.gz CYYJLSDLCWEYAA-SECBINFHSA-N -1 1 382.402 1.011 20 5 GDBDMM CC(=O)c1ccc2c(c1)CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000824029450 607903648 /nfs/dbraw/zinc/90/36/48/607903648.db2.gz KWLJVVYBWYSTBK-UHFFFAOYSA-N -1 1 379.380 1.978 20 5 GDBDMM CC(=O)c1ccc2c(c1)CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000824029450 607903649 /nfs/dbraw/zinc/90/36/49/607903649.db2.gz KWLJVVYBWYSTBK-UHFFFAOYSA-N -1 1 379.380 1.978 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOCC23CCCC3)c1-c1nn[n-]n1 ZINC000826499967 608097427 /nfs/dbraw/zinc/09/74/27/608097427.db2.gz GQTDXACQLJRPPF-UHFFFAOYSA-N -1 1 394.413 1.109 20 5 GDBDMM COc1cc(Cn2ccnc2-c2nnn[n-]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000826180240 609518103 /nfs/dbraw/zinc/51/81/03/609518103.db2.gz ZAFXXIPBVRUQIP-UHFFFAOYSA-N -1 1 381.299 1.672 20 5 GDBDMM COc1cc(Cn2ccnc2-c2nn[n-]n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000826180240 609518106 /nfs/dbraw/zinc/51/81/06/609518106.db2.gz ZAFXXIPBVRUQIP-UHFFFAOYSA-N -1 1 381.299 1.672 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1CCS(=O)(=O)CC1 ZINC000559324859 650731907 /nfs/dbraw/zinc/73/19/07/650731907.db2.gz CMRJDASMGRQHCZ-UHFFFAOYSA-N -1 1 382.847 1.351 20 5 GDBDMM CSCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443497225 647211937 /nfs/dbraw/zinc/21/19/37/647211937.db2.gz FEUZPZHMUIXESH-VIFPVBQESA-N -1 1 399.288 1.750 20 5 GDBDMM CC(C)(C)OC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000467076044 647630612 /nfs/dbraw/zinc/63/06/12/647630612.db2.gz SLRVNXRWKFKHTA-CQSZACIVSA-N -1 1 394.833 1.619 20 5 GDBDMM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000921497358 660305622 /nfs/dbraw/zinc/30/56/22/660305622.db2.gz MPIUNELBAZKEBX-HZGVNTEJSA-N -1 1 383.195 1.810 20 5 GDBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000506199639 648215741 /nfs/dbraw/zinc/21/57/41/648215741.db2.gz QPALQVRULURKKN-UHFFFAOYSA-N -1 1 385.427 1.871 20 5 GDBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000506199639 648215747 /nfs/dbraw/zinc/21/57/47/648215747.db2.gz QPALQVRULURKKN-UHFFFAOYSA-N -1 1 385.427 1.871 20 5 GDBDMM CCCCOC(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000735504068 654563995 /nfs/dbraw/zinc/56/39/95/654563995.db2.gz VCZJMMJZSZGXNN-UHFFFAOYSA-N -1 1 395.231 1.979 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]CC[S@@](=O)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000772651692 654567054 /nfs/dbraw/zinc/56/70/54/654567054.db2.gz WUPIMJBLYBLYML-XMMPIXPASA-N -1 1 386.455 1.038 20 5 GDBDMM CC[C@@](C)([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)OC ZINC000748813395 654814434 /nfs/dbraw/zinc/81/44/34/654814434.db2.gz SCXHBMMGBNAAII-GFCCVEGCSA-N -1 1 395.231 1.977 20 5 GDBDMM O=C(NC[C@H](O)c1cccc(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000800696559 654893205 /nfs/dbraw/zinc/89/32/05/654893205.db2.gz CMPYGWFKTSRZCA-LBPRGKRZSA-N -1 1 382.170 1.921 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCN2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000832310464 655026907 /nfs/dbraw/zinc/02/69/07/655026907.db2.gz RZRLLDFFMVNBNK-AOOOYVTPSA-N -1 1 393.824 1.529 20 5 GDBDMM COCCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809815699 655137541 /nfs/dbraw/zinc/13/75/41/655137541.db2.gz OJZDOOKWFASYKV-SNVBAGLBSA-N -1 1 395.840 1.776 20 5 GDBDMM C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)S(C)(=O)=O ZINC000809827920 655139509 /nfs/dbraw/zinc/13/95/09/655139509.db2.gz DPVIZNKZKIDWMM-LURJTMIESA-N -1 1 391.254 1.613 20 5 GDBDMM Cn1c(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)nnc1C1CC1 ZINC000809831948 655140096 /nfs/dbraw/zinc/14/00/96/655140096.db2.gz KQANWXKASGPROL-UHFFFAOYSA-N -1 1 389.796 1.872 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)cc1Cl ZINC000809834679 655140508 /nfs/dbraw/zinc/14/05/08/655140508.db2.gz CIASREQPPWECKT-UHFFFAOYSA-N -1 1 386.810 1.100 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H](CCO)C1CC1 ZINC000795858251 655191734 /nfs/dbraw/zinc/19/17/34/655191734.db2.gz VRRMATLGKBJVTL-SNVBAGLBSA-N -1 1 397.222 1.936 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCC1(O)CCOCC1 ZINC000815045326 655283587 /nfs/dbraw/zinc/28/35/87/655283587.db2.gz QESBKIUESJTTST-UHFFFAOYSA-N -1 1 382.797 1.597 20 5 GDBDMM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000841529929 655338632 /nfs/dbraw/zinc/33/86/32/655338632.db2.gz GQNTVVWPMCMHTM-GZMMTYOYSA-N -1 1 391.808 1.819 20 5 GDBDMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000845977226 655441330 /nfs/dbraw/zinc/44/13/30/655441330.db2.gz UWDPIAUKVRILAX-MRVPVSSYSA-N -1 1 399.194 1.537 20 5 GDBDMM Cc1nsc(N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000822530883 946115714 /nfs/dbraw/zinc/11/57/14/946115714.db2.gz RMXYNAZWGLIZJD-UHFFFAOYSA-N -1 1 390.341 1.725 20 5 GDBDMM Cc1nsc(N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000822530883 946115716 /nfs/dbraw/zinc/11/57/16/946115716.db2.gz RMXYNAZWGLIZJD-UHFFFAOYSA-N -1 1 390.341 1.725 20 5 GDBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594112978 958537477 /nfs/dbraw/zinc/53/74/77/958537477.db2.gz YHJITULXBIJMHF-DDTOSNHZSA-N -1 1 377.397 1.973 20 5 GDBDMM CCN1CCN(c2cc(N(C)C(=O)C3(C(=O)[O-])CCC3)cc([N+](=O)[O-])c2)CC1 ZINC001573888817 961336804 /nfs/dbraw/zinc/33/68/04/961336804.db2.gz MIXFIAXDTJYOQY-UHFFFAOYSA-N -1 1 390.440 1.954 20 5 GDBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001589437638 986757952 /nfs/dbraw/zinc/75/79/52/986757952.db2.gz GDHPVLVBEBIQCT-PSVSLLHZSA-N -1 1 397.815 1.998 20 5 GDBDMM CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccsc1 ZINC001598494447 992345147 /nfs/dbraw/zinc/34/51/47/992345147.db2.gz XSMKMVCLKXLLLE-CQSZACIVSA-N -1 1 399.450 1.692 20 5 GDBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCC[C@H]3CC(=O)[O-])c2)CC1 ZINC001598624604 994066628 /nfs/dbraw/zinc/06/66/28/994066628.db2.gz OXUZPPVVLDIXNB-AWEZNQCLSA-N -1 1 391.428 1.818 20 5 GDBDMM C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])N1CCC[C@H](C)C1 ZINC001594383006 999445135 /nfs/dbraw/zinc/44/51/35/999445135.db2.gz KAJSVRAZEYMZLC-NWDGAFQWSA-N -1 1 385.442 1.692 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCOCC2)s1 ZINC000065971830 530757314 /nfs/dbraw/zinc/75/73/14/530757314.db2.gz QRSKJZJGCZAGHO-UHFFFAOYSA-N -1 1 383.451 1.971 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)c2ccccc2)s1 ZINC000066000664 530757709 /nfs/dbraw/zinc/75/77/09/530757709.db2.gz DJUSZVLVXLBYFT-UHFFFAOYSA-N -1 1 376.437 1.409 20 5 GDBDMM C[C@]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000101576136 530824887 /nfs/dbraw/zinc/82/48/87/530824887.db2.gz XXOLVKBGLCZRRC-OAHLLOKOSA-N -1 1 383.813 1.927 20 5 GDBDMM CCN(C)C(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000185990478 530849463 /nfs/dbraw/zinc/84/94/63/530849463.db2.gz MAIZHHSDAUKUJG-UHFFFAOYSA-N -1 1 380.220 1.114 20 5 GDBDMM Cc1nnc2n1C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000265327330 531243814 /nfs/dbraw/zinc/24/38/14/531243814.db2.gz UYBCKCOKOBCHNS-SNVBAGLBSA-N -1 1 385.833 1.689 20 5 GDBDMM O=C([N-]c1ncn(Cc2cccc(Br)c2)n1)c1c[nH]nc1[N+](=O)[O-] ZINC000558752418 531580426 /nfs/dbraw/zinc/58/04/26/531580426.db2.gz UGTWSDZWZONFKA-UHFFFAOYSA-N -1 1 392.173 1.973 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nncn1C ZINC000416369608 531581153 /nfs/dbraw/zinc/58/11/53/531581153.db2.gz IOKPMOXLLCPINP-ZETCQYMHSA-N -1 1 379.320 1.782 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](CO)C1 ZINC000295841075 531629134 /nfs/dbraw/zinc/62/91/34/531629134.db2.gz WJCIBPSBLYFBIE-SCZZXKLOSA-N -1 1 379.232 1.797 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ncn(C)n1 ZINC000416475241 531635953 /nfs/dbraw/zinc/63/59/53/531635953.db2.gz TXHVNSHVSAEXMN-SSDOTTSWSA-N -1 1 379.320 1.782 20 5 GDBDMM CC(C)[C@H](CO)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000588136182 531650263 /nfs/dbraw/zinc/65/02/63/531650263.db2.gz ZYFHUGUOOFLKDE-VIFPVBQESA-N -1 1 381.248 1.900 20 5 GDBDMM COCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000269785685 531757256 /nfs/dbraw/zinc/75/72/56/531757256.db2.gz PSJKXOBGPZUFIS-GFCCVEGCSA-N -1 1 397.247 1.423 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCSCCCO ZINC000269831256 531776398 /nfs/dbraw/zinc/77/63/98/531776398.db2.gz UUGPYQKFMGSBTK-UHFFFAOYSA-N -1 1 399.288 1.751 20 5 GDBDMM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000270380927 531864070 /nfs/dbraw/zinc/86/40/70/531864070.db2.gz NPZIYESHAZNOOA-XVKPBYJWSA-N -1 1 399.288 1.748 20 5 GDBDMM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000285299165 532063548 /nfs/dbraw/zinc/06/35/48/532063548.db2.gz ULGHYEPTTUFIBJ-LLVKDONJSA-N -1 1 385.211 1.936 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCS(=O)(=O)C1 ZINC000286796384 532176591 /nfs/dbraw/zinc/17/65/91/532176591.db2.gz SNEIWRWGROOBGF-SECBINFHSA-N -1 1 382.847 1.351 20 5 GDBDMM 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/nfs/dbraw/zinc/64/64/44/978646444.db2.gz XWJFMBMXRYJBII-KGLIPLIRSA-N -1 1 378.429 1.889 20 5 GDBDMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001595453199 981118279 /nfs/dbraw/zinc/11/82/79/981118279.db2.gz NQCPUDLFMDMXMX-GFCCVEGCSA-N -1 1 385.442 1.836 20 5 GDBDMM CN(C)CCNS(=O)(=O)c1ccc(SCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598234475 990952902 /nfs/dbraw/zinc/95/29/02/990952902.db2.gz YATOCINAXFPKIP-UHFFFAOYSA-N -1 1 377.444 1.002 20 5 GDBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001599622190 994098991 /nfs/dbraw/zinc/09/89/91/994098991.db2.gz BOJOJZBVSRTFRR-GFCCVEGCSA-N -1 1 380.401 1.294 20 5 GDBDMM C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000161509345 530560958 /nfs/dbraw/zinc/56/09/58/530560958.db2.gz SXOCOWVGZJARCI-LBPRGKRZSA-N -1 1 386.257 1.493 20 5 GDBDMM O=C1NCCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000171418369 530599343 /nfs/dbraw/zinc/59/93/43/530599343.db2.gz ATPLFNAIGBURNV-SECBINFHSA-N -1 1 392.231 1.304 20 5 GDBDMM CN(C)C(=O)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038104245 530616729 /nfs/dbraw/zinc/61/67/29/530616729.db2.gz JGFNBYYBFSRGLC-UHFFFAOYSA-N -1 1 380.220 1.114 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]2(N3CCOCC3)CCSC2)s1 ZINC000066327772 530761257 /nfs/dbraw/zinc/76/12/57/530761257.db2.gz BHFIIMLWLBXWFV-CYBMUJFWSA-N -1 1 393.512 1.143 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(N3CCOCC3)c2)s1 ZINC000064245295 530748961 /nfs/dbraw/zinc/74/89/61/530748961.db2.gz UEBXVUFOLROUIU-UHFFFAOYSA-N -1 1 384.439 1.366 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCN2CCOCC2)c1Cl ZINC000145029586 531124733 /nfs/dbraw/zinc/12/47/33/531124733.db2.gz VJOQNMYRLIEUMF-UHFFFAOYSA-N -1 1 384.241 1.512 20 5 GDBDMM Cc1c(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cnn1C ZINC000152648672 531155317 /nfs/dbraw/zinc/15/53/17/531155317.db2.gz NKHDSBRPLDJVDK-UHFFFAOYSA-N -1 1 389.231 1.878 20 5 GDBDMM O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155476022 531200696 /nfs/dbraw/zinc/20/06/96/531200696.db2.gz RNTJRYBIUKKCHJ-QMMMGPOBSA-N -1 1 381.190 1.890 20 5 GDBDMM C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000276997638 531247735 /nfs/dbraw/zinc/24/77/35/531247735.db2.gz VWQCHHNPEATXAB-VIFPVBQESA-N -1 1 377.394 1.925 20 5 GDBDMM Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CC2 ZINC000290721090 531251981 /nfs/dbraw/zinc/25/19/81/531251981.db2.gz KJPZFBXSZCDKAA-MRVPVSSYSA-N -1 1 389.796 1.581 20 5 GDBDMM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000472747538 531240883 /nfs/dbraw/zinc/24/08/83/531240883.db2.gz GBDSRWZBGVKHBL-ZMWSMAPVSA-N -1 1 379.232 1.963 20 5 GDBDMM C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290759531 531255038 /nfs/dbraw/zinc/25/50/38/531255038.db2.gz NLDOBSYMBQQHAD-SSDOTTSWSA-N -1 1 380.213 1.860 20 5 GDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1nc(C(F)(F)F)cs1 ZINC000525212438 531287748 /nfs/dbraw/zinc/28/77/48/531287748.db2.gz VJGOZBWYOZILOE-UHFFFAOYSA-N -1 1 382.345 1.986 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H](CO)[C@H]1CCCO1 ZINC000447928343 531441400 /nfs/dbraw/zinc/44/14/00/531441400.db2.gz HEPUNMSJJITABW-MWLCHTKSSA-N -1 1 395.231 1.176 20 5 GDBDMM CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000280380616 531491871 /nfs/dbraw/zinc/49/18/71/531491871.db2.gz ZGBJZJFCMIGXCX-NSHDSACASA-N -1 1 375.834 1.785 20 5 GDBDMM CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000619798233 531717978 /nfs/dbraw/zinc/71/79/78/531717978.db2.gz CEAHYQVJYWXFDJ-SECBINFHSA-N -1 1 392.231 1.256 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CO ZINC000452030334 531755900 /nfs/dbraw/zinc/75/59/00/531755900.db2.gz MKZAERFCWCIATM-WPRPVWTQSA-N -1 1 379.232 1.797 20 5 GDBDMM COC(=O)[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCSC1 ZINC000270300726 531857082 /nfs/dbraw/zinc/85/70/82/531857082.db2.gz YWTPREQIQDWCFR-GFCCVEGCSA-N -1 1 380.831 1.575 20 5 GDBDMM CC(C)(C)OC(=O)[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCOC1 ZINC000594841420 531858991 /nfs/dbraw/zinc/85/89/91/531858991.db2.gz DMJVVVFOGJZMNT-ZDUSSCGKSA-N -1 1 378.428 1.435 20 5 GDBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[C@@H](OC)C1 ZINC000574091030 531994181 /nfs/dbraw/zinc/99/41/81/531994181.db2.gz FSCGZSHFPQKKHK-OPQQBVKSSA-N -1 1 392.455 1.681 20 5 GDBDMM CCOC(=O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000285032720 532021435 /nfs/dbraw/zinc/02/14/35/532021435.db2.gz BMSGLQOAWHGPDE-UHFFFAOYSA-N -1 1 385.167 1.338 20 5 GDBDMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000274984302 532249891 /nfs/dbraw/zinc/24/98/91/532249891.db2.gz MAXCHNCVENLOTJ-LLVKDONJSA-N -1 1 391.833 1.466 20 5 GDBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000275372815 532291248 /nfs/dbraw/zinc/29/12/48/532291248.db2.gz WNKBEWOFHBHOHG-UHFFFAOYSA-N -1 1 391.833 1.338 20 5 GDBDMM C[C@H](NC(=O)c1ccc(N2CCN3CCCC[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657441 600431994 /nfs/dbraw/zinc/43/19/94/600431994.db2.gz SCGLIMDUHYTJAF-JSGCOSHPSA-N -1 1 376.413 1.472 20 5 GDBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc([N+](=O)[O-])c1 ZINC000485211292 600690453 /nfs/dbraw/zinc/69/04/53/600690453.db2.gz UDBOCGFOJGOCGQ-UHFFFAOYSA-N -1 1 379.306 1.941 20 5 GDBDMM CCc1nn(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825762779 607530864 /nfs/dbraw/zinc/53/08/64/607530864.db2.gz IIATZLUPNCRMRG-CQSZACIVSA-N -1 1 385.384 1.190 20 5 GDBDMM C[C@@]1(C(=O)[O-])CCN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000828029361 601889009 /nfs/dbraw/zinc/88/90/09/601889009.db2.gz ZFFOWIHUPPGNOA-SJORKVTESA-N -1 1 376.369 1.116 20 5 GDBDMM Cc1cccc(S(=O)(=O)Oc2ccc(C=O)cc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826304423 607576083 /nfs/dbraw/zinc/57/60/83/607576083.db2.gz KNKXLAHAMYHNDB-UHFFFAOYSA-N -1 1 389.349 1.664 20 5 GDBDMM Cc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1F ZINC000826288670 607580364 /nfs/dbraw/zinc/58/03/64/607580364.db2.gz RIMGCXZGIPKLAJ-UHFFFAOYSA-N -1 1 392.372 1.701 20 5 GDBDMM Cc1c([N+](=O)[O-])cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826243158 607602585 /nfs/dbraw/zinc/60/25/85/607602585.db2.gz XAQCZWKAFYOTRH-UHFFFAOYSA-N -1 1 385.296 1.744 20 5 GDBDMM Cc1c([N+](=O)[O-])cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826243158 607602586 /nfs/dbraw/zinc/60/25/86/607602586.db2.gz XAQCZWKAFYOTRH-UHFFFAOYSA-N -1 1 385.296 1.744 20 5 GDBDMM Cc1ncsc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826331571 607609106 /nfs/dbraw/zinc/60/91/06/607609106.db2.gz OKXZISOGIBUWQO-UHFFFAOYSA-N -1 1 381.399 1.018 20 5 GDBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000827058549 604437685 /nfs/dbraw/zinc/43/76/85/604437685.db2.gz JGQLSAHUTQGVNL-UHFFFAOYSA-N -1 1 386.426 1.504 20 5 GDBDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)nc1 ZINC000826498654 607728815 /nfs/dbraw/zinc/72/88/15/607728815.db2.gz DMYJMJOFXFDISB-VIFPVBQESA-N -1 1 398.343 1.164 20 5 GDBDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)nc1 ZINC000826498654 607728817 /nfs/dbraw/zinc/72/88/17/607728817.db2.gz DMYJMJOFXFDISB-VIFPVBQESA-N -1 1 398.343 1.164 20 5 GDBDMM O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000823635462 606446077 /nfs/dbraw/zinc/44/60/77/606446077.db2.gz XCSCOLHHQXXYEI-RISCZKNCSA-N -1 1 391.775 1.330 20 5 GDBDMM O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000823635462 606446079 /nfs/dbraw/zinc/44/60/79/606446079.db2.gz XCSCOLHHQXXYEI-RISCZKNCSA-N -1 1 391.775 1.330 20 5 GDBDMM Cc1nc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)ccc1[N+](=O)[O-] ZINC000822449623 606608443 /nfs/dbraw/zinc/60/84/43/606608443.db2.gz HNXROYAXASVERM-UHFFFAOYSA-N -1 1 398.383 1.767 20 5 GDBDMM CCCS(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821139354 606644808 /nfs/dbraw/zinc/64/48/08/606644808.db2.gz VHAWNIVZQYGROF-UHFFFAOYSA-N -1 1 395.445 1.073 20 5 GDBDMM C[C@H](c1cccnc1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820571306 606710362 /nfs/dbraw/zinc/71/03/62/606710362.db2.gz XWELXPXTQBOAFI-GFCCVEGCSA-N -1 1 381.400 1.448 20 5 GDBDMM C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820705313 606730461 /nfs/dbraw/zinc/73/04/61/606730461.db2.gz SXJKLZVTKNXDTA-QWRGUYRKSA-N -1 1 380.430 1.974 20 5 GDBDMM C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820705314 606730542 /nfs/dbraw/zinc/73/05/42/606730542.db2.gz SXJKLZVTKNXDTA-WDEREUQCSA-N -1 1 380.430 1.974 20 5 GDBDMM Cc1ccccc1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822356028 606731274 /nfs/dbraw/zinc/73/12/74/606731274.db2.gz GQADDAAZZHMCJU-UHFFFAOYSA-N -1 1 388.409 1.904 20 5 GDBDMM CN(C(C1CC1)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821574744 606733101 /nfs/dbraw/zinc/73/31/01/606733101.db2.gz VLWGCRWJHACTJN-UHFFFAOYSA-N -1 1 378.414 1.584 20 5 GDBDMM C[C@@H]1CCC[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820696708 606734473 /nfs/dbraw/zinc/73/44/73/606734473.db2.gz BHPGODAOFDJGNZ-GHMZBOCLSA-N -1 1 380.430 1.974 20 5 GDBDMM CSC[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821961649 607144358 /nfs/dbraw/zinc/14/43/58/607144358.db2.gz LRCFOQGHAJLGEU-VIFPVBQESA-N -1 1 384.443 1.291 20 5 GDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000822605052 607194964 /nfs/dbraw/zinc/19/49/64/607194964.db2.gz WMOQXMRYHUZJIM-UHFFFAOYSA-N -1 1 383.372 1.705 20 5 GDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000822605052 607194965 /nfs/dbraw/zinc/19/49/65/607194965.db2.gz WMOQXMRYHUZJIM-UHFFFAOYSA-N -1 1 383.372 1.705 20 5 GDBDMM Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826292985 607866901 /nfs/dbraw/zinc/86/69/01/607866901.db2.gz WFBWCJPCACMLEX-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826292985 607866902 /nfs/dbraw/zinc/86/69/02/607866902.db2.gz WFBWCJPCACMLEX-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc3nccnc3c2)c1-c1nn[n-]n1 ZINC000826499898 608026023 /nfs/dbraw/zinc/02/60/23/608026023.db2.gz DCINZKQRCDQUFF-UHFFFAOYSA-N -1 1 399.348 1.486 20 5 GDBDMM C[C@H](Cn1ncc2ccccc2c1=O)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824465391 608123819 /nfs/dbraw/zinc/12/38/19/608123819.db2.gz NZWOPQYLKWYGBQ-SNVBAGLBSA-N -1 1 393.367 1.380 20 5 GDBDMM C[C@H](Cn1ncc2ccccc2c1=O)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824465391 608123820 /nfs/dbraw/zinc/12/38/20/608123820.db2.gz NZWOPQYLKWYGBQ-SNVBAGLBSA-N -1 1 393.367 1.380 20 5 GDBDMM COCC1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000826152905 608308595 /nfs/dbraw/zinc/30/85/95/608308595.db2.gz SMBLQSQJRMGHBD-UHFFFAOYSA-N -1 1 396.429 1.212 20 5 GDBDMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1[N+](=O)[O-] ZINC000824641422 608425945 /nfs/dbraw/zinc/42/59/45/608425945.db2.gz WKIGAYGFNOAQII-SECBINFHSA-N -1 1 375.370 1.209 20 5 GDBDMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1[N+](=O)[O-] ZINC000824641422 608425946 /nfs/dbraw/zinc/42/59/46/608425946.db2.gz WKIGAYGFNOAQII-SECBINFHSA-N -1 1 375.370 1.209 20 5 GDBDMM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC000826256896 608558546 /nfs/dbraw/zinc/55/85/46/608558546.db2.gz FPIQIZITWRXNBZ-UHFFFAOYSA-N -1 1 385.388 1.093 20 5 GDBDMM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC000826256896 608558548 /nfs/dbraw/zinc/55/85/48/608558548.db2.gz FPIQIZITWRXNBZ-UHFFFAOYSA-N -1 1 385.388 1.093 20 5 GDBDMM COc1cc(Cn2cnc(-c3nn[n-]n3)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000826179767 609513100 /nfs/dbraw/zinc/51/31/00/609513100.db2.gz DCWJUBJFNVMEFX-UHFFFAOYSA-N -1 1 382.287 1.067 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]CCOc2ccc(Cl)cn2)c([N+](=O)[O-])n1 ZINC000532853933 650036153 /nfs/dbraw/zinc/03/61/53/650036153.db2.gz AMPMSFWXSPQGNB-UHFFFAOYSA-N -1 1 375.794 1.217 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cn3cc(Cl)ccc3n2)c([N+](=O)[O-])n1 ZINC000533175411 650044997 /nfs/dbraw/zinc/04/49/97/650044997.db2.gz VINOWMAPTREYAP-UHFFFAOYSA-N -1 1 384.805 1.591 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])n1 ZINC000533700753 650211765 /nfs/dbraw/zinc/21/17/65/650211765.db2.gz WSPPSORVKHWUJL-JUZXBQNTSA-N -1 1 386.455 1.588 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C2(CO)CCOCC2)s1 ZINC000549933375 650585763 /nfs/dbraw/zinc/58/57/63/650585763.db2.gz YCJNNNVRHYZSDS-CYBMUJFWSA-N -1 1 376.456 1.502 20 5 GDBDMM C[C@@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[S@@](C)=O ZINC000124191550 644704898 /nfs/dbraw/zinc/70/48/98/644704898.db2.gz 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CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768890095 654440807 /nfs/dbraw/zinc/44/08/07/654440807.db2.gz UYZYTEJBHZRRJF-UHFFFAOYSA-N -1 1 390.464 1.928 20 5 GDBDMM CN(C)C(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000774784892 654639391 /nfs/dbraw/zinc/63/93/91/654639391.db2.gz QVNVSDPQFFITGQ-JQWIXIFHSA-N -1 1 391.833 1.162 20 5 GDBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000776436749 654689715 /nfs/dbraw/zinc/68/97/15/654689715.db2.gz DMNREVLNGPBNOL-VIFPVBQESA-N -1 1 388.789 1.254 20 5 GDBDMM COC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000726598318 654855659 /nfs/dbraw/zinc/85/56/59/654855659.db2.gz GIIDCNFQFZTUSU-JTQLQIEISA-N -1 1 377.806 1.757 20 5 GDBDMM O=C(NC[C@@H](O)c1cccc(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000802675511 654951947 /nfs/dbraw/zinc/95/19/47/654951947.db2.gz CMPYGWFKTSRZCA-GFCCVEGCSA-N -1 1 382.170 1.921 20 5 GDBDMM NC(=O)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000786971720 654956121 /nfs/dbraw/zinc/95/61/21/654956121.db2.gz FSLJRPQJHAYVCL-UHFFFAOYSA-N -1 1 387.776 1.965 20 5 GDBDMM O=C(c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000760609415 655120704 /nfs/dbraw/zinc/12/07/04/655120704.db2.gz CKXCIJJXUBJDJL-GFCCVEGCSA-N -1 1 381.435 1.849 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)NC1CCCC1 ZINC000809812793 655137217 /nfs/dbraw/zinc/13/72/17/655137217.db2.gz XJEHDKQBKCQUGZ-UHFFFAOYSA-N -1 1 379.797 1.724 20 5 GDBDMM NC(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809815562 655137497 /nfs/dbraw/zinc/13/74/97/655137497.db2.gz JBUYBUQSVFVIEH-UHFFFAOYSA-N -1 1 379.797 1.710 20 5 GDBDMM Cc1nnsc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000813752422 655245446 /nfs/dbraw/zinc/24/54/46/655245446.db2.gz JIHPCUOTEIQUFI-UHFFFAOYSA-N -1 1 393.244 1.996 20 5 GDBDMM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815024928 655279549 /nfs/dbraw/zinc/27/95/49/655279549.db2.gz PBUNQMAIDKNOMD-QMMMGPOBSA-N -1 1 394.812 1.469 20 5 GDBDMM COC(=O)C[C@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000815034402 655281272 /nfs/dbraw/zinc/28/12/72/655281272.db2.gz NHULWRXCVWPJBB-CYBMUJFWSA-N -1 1 396.780 1.388 20 5 GDBDMM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC ZINC000815048431 655283826 /nfs/dbraw/zinc/28/38/26/655283826.db2.gz QIJVHUJFNAWQDN-SECBINFHSA-N -1 1 384.769 1.244 20 5 GDBDMM CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000841535719 655340512 /nfs/dbraw/zinc/34/05/12/655340512.db2.gz UUIZEQYVMLMPQI-JTQLQIEISA-N -1 1 393.215 1.587 20 5 GDBDMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842343318 655362762 /nfs/dbraw/zinc/36/27/62/655362762.db2.gz VWAPXCXTUSIGDB-FBIMIBRVSA-N -1 1 392.817 1.224 20 5 GDBDMM O=C([O-])C1(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCOCC1 ZINC000843304669 655392379 /nfs/dbraw/zinc/39/23/79/655392379.db2.gz 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/nfs/dbraw/zinc/74/88/50/530748850.db2.gz WUXNKGVKMFUOKS-UHFFFAOYSA-N -1 1 395.340 1.991 20 5 GDBDMM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000185267665 530839117 /nfs/dbraw/zinc/83/91/17/530839117.db2.gz RCJKILAOZQIPHS-PBKGFPTLSA-N -1 1 379.232 1.963 20 5 GDBDMM CC(=O)N1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000104764360 530840777 /nfs/dbraw/zinc/84/07/77/530840777.db2.gz RTGQGECIZCKAPX-UHFFFAOYSA-N -1 1 375.834 1.785 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1C=C[C@H](CO)C1 ZINC000124581829 530997862 /nfs/dbraw/zinc/99/78/62/530997862.db2.gz QVQYIPIOBRHQLD-WCBMZHEXSA-N -1 1 377.216 1.573 20 5 GDBDMM CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000223579093 531029374 /nfs/dbraw/zinc/02/93/74/531029374.db2.gz MPXMCKGXRWDRLQ-OIBJUYFYSA-N -1 1 399.288 1.748 20 5 GDBDMM COC(=O)[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1 ZINC000290885553 531263047 /nfs/dbraw/zinc/26/30/47/531263047.db2.gz ZEPGJQOYWTVBKX-GFCCVEGCSA-N -1 1 399.208 1.512 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350896878 531429718 /nfs/dbraw/zinc/42/97/18/531429718.db2.gz FMWJQFYVKQUHBG-SSDOTTSWSA-N -1 1 384.399 1.479 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)NCCF ZINC000295258471 531551387 /nfs/dbraw/zinc/55/13/87/531551387.db2.gz AWJRMSDNGYDCNM-ZCFIWIBFSA-N -1 1 388.204 1.654 20 5 GDBDMM C[C@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296066084 531649697 /nfs/dbraw/zinc/64/96/97/531649697.db2.gz PFJITCRGISMEET-WKEGUHRASA-N -1 1 382.225 1.705 20 5 GDBDMM CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000416626038 531714115 /nfs/dbraw/zinc/71/41/15/531714115.db2.gz CGISLZOXGINKMQ-UHFFFAOYSA-N -1 1 396.874 1.741 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1(O)CCOCC1 ZINC000269769418 531749983 /nfs/dbraw/zinc/74/99/83/531749983.db2.gz GXBKUXZBCRERHO-UHFFFAOYSA-N -1 1 395.231 1.177 20 5 GDBDMM COC(=O)C[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000464212369 532054204 /nfs/dbraw/zinc/05/42/04/532054204.db2.gz YKMXYWACQBBPIZ-ZDUSSCGKSA-N -1 1 378.790 1.249 20 5 GDBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(NS(N)(=O)=O)c1 ZINC000326837150 532079710 /nfs/dbraw/zinc/07/97/10/532079710.db2.gz KKXPFFIOPOSJES-UHFFFAOYSA-N -1 1 386.411 1.319 20 5 GDBDMM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287359309 532210606 /nfs/dbraw/zinc/21/06/06/532210606.db2.gz IALMYGVWPCUGQK-QMMMGPOBSA-N -1 1 385.167 1.147 20 5 GDBDMM O=C([O-])[C@H]1[C@@H]2CCC[N@H+]2CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377152184 532244729 /nfs/dbraw/zinc/24/47/29/532244729.db2.gz OIMHSWOMACEHEK-GXFFZTMASA-N -1 1 389.817 1.170 20 5 GDBDMM O=C([O-])[C@H]1[C@@H]2CCCN2CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377152184 532244732 /nfs/dbraw/zinc/24/47/32/532244732.db2.gz OIMHSWOMACEHEK-GXFFZTMASA-N -1 1 389.817 1.170 20 5 GDBDMM CCNC(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000289905969 532333674 /nfs/dbraw/zinc/33/36/74/532333674.db2.gz PWKUBFFTKGTPNK-UHFFFAOYSA-N -1 1 393.824 1.972 20 5 GDBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000821601645 599141837 /nfs/dbraw/zinc/14/18/37/599141837.db2.gz RUVCNXWHJUVGJY-UHFFFAOYSA-N -1 1 394.399 1.697 20 5 GDBDMM O=[N+]([O-])c1c(NC[C@H](O)C2CC2)cc(NC[C@@H](O)C2CC2)cc1-c1nnn[n-]1 ZINC000823629885 599685501 /nfs/dbraw/zinc/68/55/01/599685501.db2.gz KRLSWWBBXCBBDJ-CABCVRRESA-N -1 1 389.416 1.141 20 5 GDBDMM O=[N+]([O-])c1c(NC[C@H](O)C2CC2)cc(NC[C@@H](O)C2CC2)cc1-c1nn[n-]n1 ZINC000823629885 599685502 /nfs/dbraw/zinc/68/55/02/599685502.db2.gz KRLSWWBBXCBBDJ-CABCVRRESA-N -1 1 389.416 1.141 20 5 GDBDMM O=C([O-])CNC(=O)c1ccc(NCc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000739812328 600433589 /nfs/dbraw/zinc/43/35/89/600433589.db2.gz GQPFCIZADMTLGZ-UHFFFAOYSA-N -1 1 396.363 1.806 20 5 GDBDMM O=C([O-])CNC(=O)c1ccc(NCc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000739812328 600433590 /nfs/dbraw/zinc/43/35/90/600433590.db2.gz GQPFCIZADMTLGZ-UHFFFAOYSA-N -1 1 396.363 1.806 20 5 GDBDMM O=C([O-])[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cc1ccc(O)cc1 ZINC000739407293 600588299 /nfs/dbraw/zinc/58/82/99/600588299.db2.gz HGTZUWAKGSYTHM-LLVKDONJSA-N -1 1 384.348 1.850 20 5 GDBDMM Cc1cc(N2CCCN(CC(=O)N3CCCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891602 601544612 /nfs/dbraw/zinc/54/46/12/601544612.db2.gz ZMSCJCJHXPVSIL-UHFFFAOYSA-N -1 1 390.440 1.736 20 5 GDBDMM COc1cc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000832097679 602308341 /nfs/dbraw/zinc/30/83/41/602308341.db2.gz IWTLOTPAEOIBNG-UHFFFAOYSA-N -1 1 382.350 1.868 20 5 GDBDMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H]1C ZINC000824925218 607574759 /nfs/dbraw/zinc/57/47/59/607574759.db2.gz BSQOKYLMIDHCAL-OUAUKWLOSA-N -1 1 380.430 1.878 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826500279 607575943 /nfs/dbraw/zinc/57/59/43/607575943.db2.gz RSUAIXINGKYHEM-UHFFFAOYSA-N -1 1 392.372 1.435 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC2(Cl)Cl)c1-c1nn[n-]n1 ZINC000826500021 607584803 /nfs/dbraw/zinc/58/48/03/607584803.db2.gz IKCJEZXGDJLYAB-LURJTMIESA-N -1 1 393.212 1.247 20 5 GDBDMM C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824939922 607596840 /nfs/dbraw/zinc/59/68/40/607596840.db2.gz YCCOVGYTGDDLQW-GHMZBOCLSA-N -1 1 380.430 1.880 20 5 GDBDMM CC(C)CCOCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824249416 607598805 /nfs/dbraw/zinc/59/88/05/607598805.db2.gz NGBGXEFEEMQKQS-UHFFFAOYSA-N -1 1 384.418 1.116 20 5 GDBDMM O=C([O-])NC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000832516166 603135676 /nfs/dbraw/zinc/13/56/76/603135676.db2.gz UBFAOAHKPMCYCT-GXSJLCMTSA-N -1 1 375.378 1.839 20 5 GDBDMM CN(Cc1ccc(O)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825966128 607626130 /nfs/dbraw/zinc/62/61/30/607626130.db2.gz PEEMYIBOMUYNBV-UHFFFAOYSA-N -1 1 390.381 1.301 20 5 GDBDMM CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC(NC(=O)[O-])CC1 ZINC000828103050 603834841 /nfs/dbraw/zinc/83/48/41/603834841.db2.gz XJPHCOQETDSCRY-UHFFFAOYSA-N -1 1 376.413 1.995 20 5 GDBDMM CCN1C[C@H](C)N(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000833657730 605119810 /nfs/dbraw/zinc/11/98/10/605119810.db2.gz OMQHWBAZQPLIFQ-RWMBFGLXSA-N -1 1 378.429 1.717 20 5 GDBDMM CCOc1cccc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)n1 ZINC000821431077 606707721 /nfs/dbraw/zinc/70/77/21/606707721.db2.gz LCXKZYWPTMYXSN-UHFFFAOYSA-N -1 1 397.399 1.290 20 5 GDBDMM CCOc1cccc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)n1 ZINC000821431077 606707723 /nfs/dbraw/zinc/70/77/23/606707723.db2.gz LCXKZYWPTMYXSN-UHFFFAOYSA-N -1 1 397.399 1.290 20 5 GDBDMM Cc1nc(C)n(C[C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)n1 ZINC000822431637 606708809 /nfs/dbraw/zinc/70/88/09/606708809.db2.gz CTWNTZHXHXMKQA-LBPRGKRZSA-N -1 1 384.404 1.295 20 5 GDBDMM Cc1nc(C)n(C[C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)n1 ZINC000822431637 606708810 /nfs/dbraw/zinc/70/88/10/606708810.db2.gz CTWNTZHXHXMKQA-LBPRGKRZSA-N -1 1 384.404 1.295 20 5 GDBDMM CCc1cc(N2CCC[C@@H](Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)ncn1 ZINC000821470193 606709833 /nfs/dbraw/zinc/70/98/33/606709833.db2.gz NTNSRKQCTFENAY-GFCCVEGCSA-N -1 1 396.415 1.603 20 5 GDBDMM CCc1cc(N2CCC[C@@H](Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)ncn1 ZINC000821470193 606709835 /nfs/dbraw/zinc/70/98/35/606709835.db2.gz NTNSRKQCTFENAY-GFCCVEGCSA-N -1 1 396.415 1.603 20 5 GDBDMM CCN(Cc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821230404 606730721 /nfs/dbraw/zinc/73/07/21/606730721.db2.gz JROHSMPNNYKJOM-UHFFFAOYSA-N -1 1 388.409 1.986 20 5 GDBDMM CN(CCC1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821599478 606736664 /nfs/dbraw/zinc/73/66/64/606736664.db2.gz WLQBVCAMRXIZTN-UHFFFAOYSA-N -1 1 396.429 1.212 20 5 GDBDMM Cc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826300081 607867019 /nfs/dbraw/zinc/86/70/19/607867019.db2.gz IBMALPJNJQNRIA-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826300081 607867020 /nfs/dbraw/zinc/86/70/20/607867020.db2.gz IBMALPJNJQNRIA-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM CC(C)CSCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824275458 607907475 /nfs/dbraw/zinc/90/74/75/607907475.db2.gz SXVWWAUEKOSXJK-UHFFFAOYSA-N -1 1 386.459 1.442 20 5 GDBDMM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824010407 607971510 /nfs/dbraw/zinc/97/15/10/607971510.db2.gz MQIHMFHALCYIAM-UHFFFAOYSA-N -1 1 389.349 1.745 20 5 GDBDMM C[C@H]1C[C@@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824884344 608125267 /nfs/dbraw/zinc/12/52/67/608125267.db2.gz NNUVOHHWPONDAN-QWRGUYRKSA-N -1 1 396.429 1.258 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC23CCCCC3)c1-c1nn[n-]n1 ZINC000826499968 608156621 /nfs/dbraw/zinc/15/66/21/608156621.db2.gz GRFAIZCWFBYVBN-GFCCVEGCSA-N -1 1 378.414 1.776 20 5 GDBDMM COC(=O)C(C)(C)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000826098428 608238000 /nfs/dbraw/zinc/23/80/00/608238000.db2.gz DWUOLOFZFFSZKS-SNVBAGLBSA-N -1 1 375.389 1.586 20 5 GDBDMM COC(=O)C(C)(C)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000826098428 608238001 /nfs/dbraw/zinc/23/80/01/608238001.db2.gz DWUOLOFZFFSZKS-SNVBAGLBSA-N -1 1 375.389 1.586 20 5 GDBDMM CN(C)C(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000537021472 650286340 /nfs/dbraw/zinc/28/63/40/650286340.db2.gz XXHYGTPBXZASSD-SKDRFNHKSA-N -1 1 391.833 1.162 20 5 GDBDMM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1)OCCO2 ZINC000553569657 650651592 /nfs/dbraw/zinc/65/15/92/650651592.db2.gz LJTCZWLZNVUJCM-UHFFFAOYSA-N -1 1 382.316 1.985 20 5 GDBDMM O=C(NCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000193870054 645056293 /nfs/dbraw/zinc/05/62/93/645056293.db2.gz SINKSJLGYCOGLK-UHFFFAOYSA-N -1 1 392.231 1.162 20 5 GDBDMM CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O ZINC000331023551 645454517 /nfs/dbraw/zinc/45/45/17/645454517.db2.gz MJJYLFOZFMAQOZ-SECBINFHSA-N -1 1 375.834 1.926 20 5 GDBDMM C[S@@](=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000471124352 647740221 /nfs/dbraw/zinc/74/02/21/647740221.db2.gz LNDQCGYUWMMGOU-XMMPIXPASA-N -1 1 384.391 1.831 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CSc3ccccc3O2)c([N+](=O)[O-])n1 ZINC000582603855 652006332 /nfs/dbraw/zinc/00/63/32/652006332.db2.gz YXCKUICFWPZRQT-JTQLQIEISA-N -1 1 384.439 1.643 20 5 GDBDMM CCn1nncc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599358516 652486804 /nfs/dbraw/zinc/48/68/04/652486804.db2.gz DCGFYJXFVLAWLA-UHFFFAOYSA-N -1 1 379.320 1.704 20 5 GDBDMM CS(=O)(=O)Cc1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768844969 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/nfs/dbraw/zinc/73/09/44/606730944.db2.gz FLRJRCWONHBBIE-UHFFFAOYSA-N -1 1 389.397 1.033 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](c3ccco3)C2)c1-c1nn[n-]n1 ZINC000823647712 606735731 /nfs/dbraw/zinc/73/57/31/606735731.db2.gz OPBMGOIVGIPSBU-JTQLQIEISA-N -1 1 390.381 1.546 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000820804620 606783394 /nfs/dbraw/zinc/78/33/94/606783394.db2.gz VYKPIHKRRXGJBF-NSHDSACASA-N -1 1 399.390 1.415 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000820804620 606783397 /nfs/dbraw/zinc/78/33/97/606783397.db2.gz VYKPIHKRRXGJBF-NSHDSACASA-N -1 1 399.390 1.415 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(C(F)F)CC2)c1-c1nn[n-]n1 ZINC000823648608 607007123 /nfs/dbraw/zinc/00/71/23/607007123.db2.gz YPBGMYKCCIDBCO-UHFFFAOYSA-N -1 1 388.356 1.441 20 5 GDBDMM COCCNc1nnc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000821691542 607162753 /nfs/dbraw/zinc/16/27/53/607162753.db2.gz YCVMJNMMBNYHCX-UHFFFAOYSA-N -1 1 381.403 1.231 20 5 GDBDMM COCCNc1nnc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC000821691542 607162754 /nfs/dbraw/zinc/16/27/54/607162754.db2.gz YCVMJNMMBNYHCX-UHFFFAOYSA-N -1 1 381.403 1.231 20 5 GDBDMM O=C(C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000822918087 607163612 /nfs/dbraw/zinc/16/36/12/607163612.db2.gz ZPLIUKIWOOEGIX-UHFFFAOYSA-N -1 1 386.416 1.399 20 5 GDBDMM O=C(C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000822918087 607163614 /nfs/dbraw/zinc/16/36/14/607163614.db2.gz ZPLIUKIWOOEGIX-UHFFFAOYSA-N -1 1 386.416 1.399 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000823619852 607165404 /nfs/dbraw/zinc/16/54/04/607165404.db2.gz CEVCYHRJGPJFHR-LLVKDONJSA-N -1 1 392.383 1.597 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000823619852 607165405 /nfs/dbraw/zinc/16/54/05/607165405.db2.gz CEVCYHRJGPJFHR-LLVKDONJSA-N -1 1 392.383 1.597 20 5 GDBDMM Cc1nc(CN2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cs1 ZINC000822440145 607166039 /nfs/dbraw/zinc/16/60/39/607166039.db2.gz IOZVYIZUHHNJNU-UHFFFAOYSA-N -1 1 387.429 1.257 20 5 GDBDMM Cc1nc(CN2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cs1 ZINC000822440145 607166040 /nfs/dbraw/zinc/16/60/40/607166040.db2.gz IOZVYIZUHHNJNU-UHFFFAOYSA-N -1 1 387.429 1.257 20 5 GDBDMM CN(c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000826004086 607841161 /nfs/dbraw/zinc/84/11/61/607841161.db2.gz IATXPFYZHWTMQU-CYBMUJFWSA-N -1 1 381.400 1.670 20 5 GDBDMM CN(c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000826004086 607841162 /nfs/dbraw/zinc/84/11/62/607841162.db2.gz IATXPFYZHWTMQU-CYBMUJFWSA-N -1 1 381.400 1.670 20 5 GDBDMM CC(C)(C)OC(=O)N1CC[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000824104668 609604227 /nfs/dbraw/zinc/60/42/27/609604227.db2.gz WHHLFPFQVYKZDE-SNVBAGLBSA-N -1 1 390.404 1.839 20 5 GDBDMM CC(C)(C)OC(=O)N1CC[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000824104668 609604228 /nfs/dbraw/zinc/60/42/28/609604228.db2.gz WHHLFPFQVYKZDE-SNVBAGLBSA-N -1 1 390.404 1.839 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCCS2)c1-c1nn[n-]n1 ZINC000826500007 609609698 /nfs/dbraw/zinc/60/96/98/609609698.db2.gz HTOOSEKZMFVTJK-VIFPVBQESA-N -1 1 384.443 1.339 20 5 GDBDMM COC(=O)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826117891 609621157 /nfs/dbraw/zinc/62/11/57/609621157.db2.gz UQAXECZMVWZXAQ-CQSZACIVSA-N -1 1 399.319 1.552 20 5 GDBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1 ZINC000541212359 650380057 /nfs/dbraw/zinc/38/00/57/650380057.db2.gz ZHITYEVQEGNQNT-UHFFFAOYSA-N -1 1 380.304 1.659 20 5 GDBDMM Cn1c2ccc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2n(C)c1=O ZINC000543959799 650432479 /nfs/dbraw/zinc/43/24/79/650432479.db2.gz WRNKZMOTGRUDBZ-UHFFFAOYSA-N -1 1 382.423 1.994 20 5 GDBDMM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)cn1 ZINC000371022278 645722371 /nfs/dbraw/zinc/72/23/71/645722371.db2.gz KBIJGMXAGWMSQB-NSHDSACASA-N -1 1 385.833 1.539 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CCC3)cc1Cl ZINC000917061351 660204951 /nfs/dbraw/zinc/20/49/51/660204951.db2.gz HCIBTQYYSUVWSM-SNVBAGLBSA-N -1 1 392.840 1.056 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)N1Cc2ccccc2C1 ZINC000480949666 647863740 /nfs/dbraw/zinc/86/37/40/647863740.db2.gz FEQNQBFWMRAPTN-JTQLQIEISA-N -1 1 381.435 1.866 20 5 GDBDMM O=C(NCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccnc1 ZINC000516786451 648536404 /nfs/dbraw/zinc/53/64/04/648536404.db2.gz DQUJUVJKTDNZTG-UHFFFAOYSA-N -1 1 384.801 1.352 20 5 GDBDMM COC(=O)c1cc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)no1 ZINC000577800899 651753848 /nfs/dbraw/zinc/75/38/48/651753848.db2.gz LYLOBXBZURZAND-UHFFFAOYSA-N -1 1 375.384 1.645 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC[C@@]1(O)CCOC1 ZINC000593638126 652229452 /nfs/dbraw/zinc/22/94/52/652229452.db2.gz XGKMYRZFVKBPMJ-GFCCVEGCSA-N -1 1 395.231 1.177 20 5 GDBDMM O=C([O-])[C@@H](CCF)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000594573579 652317318 /nfs/dbraw/zinc/31/73/18/652317318.db2.gz NIAQZXRCEGBSFD-SSDOTTSWSA-N -1 1 375.161 1.993 20 5 GDBDMM COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599460459 652501647 /nfs/dbraw/zinc/50/16/47/652501647.db2.gz NLRNELBTMWXNEX-NXEZZACHSA-N -1 1 378.428 1.293 20 5 GDBDMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000734806456 654540690 /nfs/dbraw/zinc/54/06/90/654540690.db2.gz ANDCXGPTTMJDLL-UHFFFAOYSA-N -1 1 385.423 1.522 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](O)c2cc(F)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000785401450 654916350 /nfs/dbraw/zinc/91/63/50/654916350.db2.gz HRWUZWBZIUGATH-LLVKDONJSA-N -1 1 392.796 1.616 20 5 GDBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)S(C)(=O)=O ZINC000830944871 654963713 /nfs/dbraw/zinc/96/37/13/654963713.db2.gz RLKVNXZGSKBJEO-LURJTMIESA-N -1 1 391.254 1.613 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCN2CCCOCC2)c1Cl ZINC000831207074 654975988 /nfs/dbraw/zinc/97/59/88/654975988.db2.gz ONSMUTJEVJZMNA-UHFFFAOYSA-N -1 1 398.268 1.902 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCN1CCO ZINC000831805793 654998097 /nfs/dbraw/zinc/99/80/97/654998097.db2.gz ZKYLTVXCGJXDMF-JTQLQIEISA-N -1 1 395.840 1.512 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H](O)C1CCC1 ZINC000832654774 655042923 /nfs/dbraw/zinc/04/29/23/655042923.db2.gz QTDBAUATNCZLBB-LLVKDONJSA-N -1 1 397.222 1.936 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCn1ccnc1 ZINC000757744258 655043121 /nfs/dbraw/zinc/04/31/21/655043121.db2.gz IEGYFTSQIHGKMK-UHFFFAOYSA-N -1 1 393.194 1.671 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nnnn1C1CC1 ZINC000809837312 655140794 /nfs/dbraw/zinc/14/07/94/655140794.db2.gz SZFLWVTZBLRNQX-LURJTMIESA-N -1 1 390.784 1.748 20 5 GDBDMM O=C([O-])[C@H](CC(F)F)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837286942 655173732 /nfs/dbraw/zinc/17/37/32/655173732.db2.gz OWZTZBDFKALMOE-LURJTMIESA-N -1 1 376.696 1.774 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOC[C@H]1CCOC1 ZINC000815014628 655278354 /nfs/dbraw/zinc/27/83/54/655278354.db2.gz VRKJGDYMXKOEEI-VIFPVBQESA-N -1 1 382.797 1.719 20 5 GDBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CN1CCOCC1 ZINC000815016250 655278570 /nfs/dbraw/zinc/27/85/70/655278570.db2.gz CXTMXYNCUUFGBW-SNVBAGLBSA-N -1 1 395.840 1.634 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1(CO)CCOCC1 ZINC000815025379 655279822 /nfs/dbraw/zinc/27/98/22/655279822.db2.gz DQBXWDFTJUQRPU-UHFFFAOYSA-N -1 1 382.797 1.455 20 5 GDBDMM CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815029373 655280608 /nfs/dbraw/zinc/28/06/08/655280608.db2.gz NRPVCUMJIAMZOE-XCBNKYQSSA-N -1 1 379.797 1.580 20 5 GDBDMM COC(=O)C[C@@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000815034403 655281340 /nfs/dbraw/zinc/28/13/40/655281340.db2.gz NHULWRXCVWPJBB-ZDUSSCGKSA-N -1 1 396.780 1.388 20 5 GDBDMM Cn1ncc(CCC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000815054375 655284339 /nfs/dbraw/zinc/28/43/39/655284339.db2.gz ZYIZLFCVLXRRGS-UHFFFAOYSA-N -1 1 377.785 1.427 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCCOC2)c(Cl)cc1Cl ZINC000841560563 655347216 /nfs/dbraw/zinc/34/72/16/655347216.db2.gz PGICZHHUCPPOFG-GZMMTYOYSA-N -1 1 399.252 1.967 20 5 GDBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000849414580 655529993 /nfs/dbraw/zinc/52/99/93/655529993.db2.gz MCPZEBMLSYLDIO-PRHODGIISA-N -1 1 382.797 1.717 20 5 GDBDMM CN(C)C(=O)OCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000849445767 655537001 /nfs/dbraw/zinc/53/70/01/655537001.db2.gz BWROFECVLBQBOB-UHFFFAOYSA-N -1 1 386.213 1.878 20 5 GDBDMM Cc1cc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c2cccc([N+](=O)[O-])c2n1 ZINC000826271496 947787133 /nfs/dbraw/zinc/78/71/33/947787133.db2.gz UNCIAUKZBCZSTQ-UHFFFAOYSA-N -1 1 394.399 1.982 20 5 GDBDMM Cc1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c2cccc([N+](=O)[O-])c2n1 ZINC000826271496 947787144 /nfs/dbraw/zinc/78/71/44/947787144.db2.gz UNCIAUKZBCZSTQ-UHFFFAOYSA-N -1 1 394.399 1.982 20 5 GDBDMM CC(=O)CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001573384243 947902675 /nfs/dbraw/zinc/90/26/75/947902675.db2.gz JNNXTJXWWFORTN-UHFFFAOYSA-N -1 1 382.402 1.203 20 5 GDBDMM CC(=O)CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001573384243 947902681 /nfs/dbraw/zinc/90/26/81/947902681.db2.gz JNNXTJXWWFORTN-UHFFFAOYSA-N -1 1 382.402 1.203 20 5 GDBDMM Cn1cc([N+](=O)[O-])c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)n1 ZINC001347510870 962390563 /nfs/dbraw/zinc/39/05/63/962390563.db2.gz UCJYKWHPWPEWTJ-GOSISDBHSA-N -1 1 387.396 1.178 20 5 GDBDMM CCCCCC[C@](O)(CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC001595697430 982241009 /nfs/dbraw/zinc/24/10/09/982241009.db2.gz QCXFGKPQAZYJDZ-SFHVURJKSA-N -1 1 380.445 1.898 20 5 GDBDMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC001589627867 987524743 /nfs/dbraw/zinc/52/47/43/987524743.db2.gz RAOUEMXSUNEYSZ-UHFFFAOYSA-N -1 1 387.396 1.606 20 5 GDBDMM CN1CCN(CCN(CC(=O)[O-])C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001598616685 993896562 /nfs/dbraw/zinc/89/65/62/993896562.db2.gz ODSCLFOHXSOEMS-UHFFFAOYSA-N -1 1 390.396 1.115 20 5 GDBDMM C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001594051554 997743699 /nfs/dbraw/zinc/74/36/99/997743699.db2.gz GBSHSIDIXZSNHD-CQSZACIVSA-N -1 1 389.286 1.576 20 5 GDBDMM O=C(NCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCC1 ZINC000176909843 530693743 /nfs/dbraw/zinc/69/37/43/530693743.db2.gz ZUNDXCQFAOPRFW-UHFFFAOYSA-N -1 1 375.834 1.833 20 5 GDBDMM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000185274141 530839086 /nfs/dbraw/zinc/83/90/86/530839086.db2.gz GBDSRWZBGVKHBL-PBKGFPTLSA-N -1 1 379.232 1.963 20 5 GDBDMM COC[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])OC ZINC000227703587 531032648 /nfs/dbraw/zinc/03/26/48/531032648.db2.gz WKRLMWYLIVWGAI-SECBINFHSA-N -1 1 383.220 1.297 20 5 GDBDMM CCN(CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])S(C)(=O)=O ZINC000146930296 531126564 /nfs/dbraw/zinc/12/65/64/531126564.db2.gz CWAZDDNYIMAYBN-UHFFFAOYSA-N -1 1 399.878 1.198 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2(CO)CCOCC2)cc1Cl ZINC000290878068 531261555 /nfs/dbraw/zinc/26/15/55/531261555.db2.gz YMSLUJHSSKXZEG-UHFFFAOYSA-N -1 1 382.797 1.455 20 5 GDBDMM Cn1cc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1 ZINC000290738583 531253043 /nfs/dbraw/zinc/25/30/43/531253043.db2.gz LVIRBOAABSWIEM-LLVKDONJSA-N -1 1 378.769 1.133 20 5 GDBDMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[n-]1 ZINC000439156286 531315997 /nfs/dbraw/zinc/31/59/97/531315997.db2.gz VXWGNRACPFADQA-UHFFFAOYSA-N -1 1 379.276 1.388 20 5 GDBDMM CS(=O)(=O)c1nc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[n-]1 ZINC000439156286 531315999 /nfs/dbraw/zinc/31/59/99/531315999.db2.gz VXWGNRACPFADQA-UHFFFAOYSA-N -1 1 379.276 1.388 20 5 GDBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000267611336 531439073 /nfs/dbraw/zinc/43/90/73/531439073.db2.gz HMZBPLVUSICVRR-NSHDSACASA-N -1 1 391.833 1.164 20 5 GDBDMM CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000451951104 531726574 /nfs/dbraw/zinc/72/65/74/531726574.db2.gz CDOITOIEMXBKML-ZETCQYMHSA-N -1 1 380.220 1.160 20 5 GDBDMM O=C([O-])[C@]1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000619708782 531715394 /nfs/dbraw/zinc/71/53/94/531715394.db2.gz PNLKQUXNWVWKLK-NSHDSACASA-N -1 1 385.181 1.424 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@]1(O)CCSC1 ZINC000269764358 531745497 /nfs/dbraw/zinc/74/54/97/531745497.db2.gz CUZXEMWINRZWFN-LLVKDONJSA-N -1 1 397.272 1.504 20 5 GDBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)OC ZINC000270501934 531881310 /nfs/dbraw/zinc/88/13/10/531881310.db2.gz MRZVXCMEELDOEL-QMMMGPOBSA-N -1 1 381.204 1.587 20 5 GDBDMM C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000283850996 531903522 /nfs/dbraw/zinc/90/35/22/531903522.db2.gz HXFLWVSVTDDJAP-KCJUWKMLSA-N -1 1 378.378 1.669 20 5 GDBDMM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)cn1 ZINC000369401683 531963515 /nfs/dbraw/zinc/96/35/15/531963515.db2.gz BVPQNVIEORQZIC-SNVBAGLBSA-N -1 1 385.833 1.539 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000374719134 532134251 /nfs/dbraw/zinc/13/42/51/532134251.db2.gz VCCBBCPMRQJOFQ-GXFFZTMASA-N -1 1 376.456 1.502 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000289272246 532320330 /nfs/dbraw/zinc/32/03/30/532320330.db2.gz DEASMLVOQCNACL-ZETCQYMHSA-N -1 1 386.810 1.100 20 5 GDBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000737114069 598595418 /nfs/dbraw/zinc/59/54/18/598595418.db2.gz CFEKKRYEFRGPPS-UHFFFAOYSA-N -1 1 394.344 1.723 20 5 GDBDMM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738360451 598694484 /nfs/dbraw/zinc/69/44/84/598694484.db2.gz PWSYVFALIDKNHZ-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=[N+]([O-])c1c(NC[C@@H](O)C2CC2)cc(NC[C@@H](O)C2CC2)cc1-c1nnn[n-]1 ZINC000823629887 599685405 /nfs/dbraw/zinc/68/54/05/599685405.db2.gz KRLSWWBBXCBBDJ-HUUCEWRRSA-N -1 1 389.416 1.141 20 5 GDBDMM O=[N+]([O-])c1c(NC[C@@H](O)C2CC2)cc(NC[C@@H](O)C2CC2)cc1-c1nn[n-]n1 ZINC000823629887 599685406 /nfs/dbraw/zinc/68/54/06/599685406.db2.gz KRLSWWBBXCBBDJ-HUUCEWRRSA-N -1 1 389.416 1.141 20 5 GDBDMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO ZINC000477412089 599906711 /nfs/dbraw/zinc/90/67/11/599906711.db2.gz KXDKPGRDVBXDID-UHFFFAOYSA-N -1 1 395.393 1.806 20 5 GDBDMM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000740095600 600671217 /nfs/dbraw/zinc/67/12/17/600671217.db2.gz JTHGHTUXICZDGW-JSGCOSHPSA-N -1 1 380.357 1.237 20 5 GDBDMM CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000484537955 600689949 /nfs/dbraw/zinc/68/99/49/600689949.db2.gz JAQNYODNEYTGIZ-UHFFFAOYSA-N -1 1 393.377 1.796 20 5 GDBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1cccs1 ZINC000824640143 607578318 /nfs/dbraw/zinc/57/83/18/607578318.db2.gz BAXCHZHQPVJLND-QMMMGPOBSA-N -1 1 380.411 1.876 20 5 GDBDMM CCc1ccccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825722998 607641378 /nfs/dbraw/zinc/64/13/78/607641378.db2.gz PTKVOQCIGRZUOP-UHFFFAOYSA-N -1 1 388.409 1.816 20 5 GDBDMM C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[C@H]2CC(=O)[O-])C1=O ZINC000828123155 604981086 /nfs/dbraw/zinc/98/10/86/604981086.db2.gz UJOUUIXYSDPYNV-SUMWQHHRSA-N -1 1 376.369 1.258 20 5 GDBDMM CCN1C[C@H](C)N(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000833657727 605119662 /nfs/dbraw/zinc/11/96/62/605119662.db2.gz OMQHWBAZQPLIFQ-AGIUHOORSA-N -1 1 378.429 1.717 20 5 GDBDMM O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000823635461 606445840 /nfs/dbraw/zinc/44/58/40/606445840.db2.gz XCSCOLHHQXXYEI-FZMZJTMJSA-N -1 1 391.775 1.330 20 5 GDBDMM O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000823635461 606445842 /nfs/dbraw/zinc/44/58/42/606445842.db2.gz XCSCOLHHQXXYEI-FZMZJTMJSA-N -1 1 391.775 1.330 20 5 GDBDMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000823482865 606567454 /nfs/dbraw/zinc/56/74/54/606567454.db2.gz AZHQGTIAPJGUPP-VIFPVBQESA-N -1 1 386.397 1.558 20 5 GDBDMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000823482865 606567455 /nfs/dbraw/zinc/56/74/55/606567455.db2.gz AZHQGTIAPJGUPP-VIFPVBQESA-N -1 1 386.397 1.558 20 5 GDBDMM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822969675 606651454 /nfs/dbraw/zinc/65/14/54/606651454.db2.gz WQEPMOFYTIAWEQ-UHFFFAOYSA-N -1 1 397.351 1.033 20 5 GDBDMM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822969675 606651455 /nfs/dbraw/zinc/65/14/55/606651455.db2.gz WQEPMOFYTIAWEQ-UHFFFAOYSA-N -1 1 397.351 1.033 20 5 GDBDMM Cc1ccc(C(=O)N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000822226212 606697829 /nfs/dbraw/zinc/69/78/29/606697829.db2.gz HYWFIVUXUGEYNQ-UHFFFAOYSA-N -1 1 394.395 1.441 20 5 GDBDMM Cc1ccc(C(=O)N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000822226212 606697830 /nfs/dbraw/zinc/69/78/30/606697830.db2.gz HYWFIVUXUGEYNQ-UHFFFAOYSA-N -1 1 394.395 1.441 20 5 GDBDMM CCNC(=O)COc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821284556 606699538 /nfs/dbraw/zinc/69/95/38/606699538.db2.gz FEPXSVKYAOFCHI-UHFFFAOYSA-N -1 1 398.383 1.297 20 5 GDBDMM CCNC(=O)COc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821284556 606699539 /nfs/dbraw/zinc/69/95/39/606699539.db2.gz FEPXSVKYAOFCHI-UHFFFAOYSA-N -1 1 398.383 1.297 20 5 GDBDMM Cc1nc2nc(Sc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])nn2c(C)c1C ZINC000822468274 606699980 /nfs/dbraw/zinc/69/99/80/606699980.db2.gz ZITFEACDXPEJLK-UHFFFAOYSA-N -1 1 384.385 1.684 20 5 GDBDMM Cc1nc2nc(Sc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])nn2c(C)c1C ZINC000822468274 606699982 /nfs/dbraw/zinc/69/99/82/606699982.db2.gz ZITFEACDXPEJLK-UHFFFAOYSA-N -1 1 384.385 1.684 20 5 GDBDMM CC(C)[C@@H](C)NC(=O)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820016662 606704488 /nfs/dbraw/zinc/70/44/88/606704488.db2.gz NSALTWYXRUZHNW-LLVKDONJSA-N -1 1 388.432 1.547 20 5 GDBDMM CC(C)[C@@H](C)NC(=O)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820016662 606704489 /nfs/dbraw/zinc/70/44/89/606704489.db2.gz NSALTWYXRUZHNW-LLVKDONJSA-N -1 1 388.432 1.547 20 5 GDBDMM CS(=O)(=O)Cc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821931791 606705450 /nfs/dbraw/zinc/70/54/50/606705450.db2.gz HGTLDODZTSQPDC-UHFFFAOYSA-N -1 1 375.370 1.458 20 5 GDBDMM CS(=O)(=O)Cc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821931791 606705452 /nfs/dbraw/zinc/70/54/52/606705452.db2.gz HGTLDODZTSQPDC-UHFFFAOYSA-N -1 1 375.370 1.458 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCCN(Cc2cscn2)CC1 ZINC000823620267 606707576 /nfs/dbraw/zinc/70/75/76/606707576.db2.gz JHIMBFWIEZLHRW-UHFFFAOYSA-N -1 1 387.429 1.339 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCCN(Cc2cscn2)CC1 ZINC000823620267 606707577 /nfs/dbraw/zinc/70/75/77/606707577.db2.gz JHIMBFWIEZLHRW-UHFFFAOYSA-N -1 1 387.429 1.339 20 5 GDBDMM COc1cc(OC)cc([C@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821724754 606711004 /nfs/dbraw/zinc/71/10/04/606711004.db2.gz XJMHTJOLBFMYFK-CYBMUJFWSA-N -1 1 387.356 1.333 20 5 GDBDMM COc1cc(OC)cc([C@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821724754 606711006 /nfs/dbraw/zinc/71/10/06/606711006.db2.gz XJMHTJOLBFMYFK-CYBMUJFWSA-N -1 1 387.356 1.333 20 5 GDBDMM O=C1COc2ccccc2N1CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000823540392 606712214 /nfs/dbraw/zinc/71/22/14/606712214.db2.gz CDELASQZFKFPEU-UHFFFAOYSA-N -1 1 396.367 1.398 20 5 GDBDMM O=C1COc2ccccc2N1CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000823540392 606712215 /nfs/dbraw/zinc/71/22/15/606712215.db2.gz CDELASQZFKFPEU-UHFFFAOYSA-N -1 1 396.367 1.398 20 5 GDBDMM CCOC(=O)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000821321516 606713557 /nfs/dbraw/zinc/71/35/57/606713557.db2.gz YYWDOLMNRBCFDG-CYBMUJFWSA-N -1 1 383.368 1.929 20 5 GDBDMM CCOC(=O)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000821321516 606713559 /nfs/dbraw/zinc/71/35/59/606713559.db2.gz YYWDOLMNRBCFDG-CYBMUJFWSA-N -1 1 383.368 1.929 20 5 GDBDMM C[C@H]1CCC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820699359 606730571 /nfs/dbraw/zinc/73/05/71/606730571.db2.gz ZBBKRZWBZGSWJP-WDEREUQCSA-N -1 1 380.430 1.974 20 5 GDBDMM CC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000820978369 606734341 /nfs/dbraw/zinc/73/43/41/606734341.db2.gz AMRWIBUJPDDMPE-NSHDSACASA-N -1 1 380.430 1.976 20 5 GDBDMM COc1cc2c(cc1OC)CN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000821727370 607162552 /nfs/dbraw/zinc/16/25/52/607162552.db2.gz IOYHZGLYHXRDJY-UHFFFAOYSA-N -1 1 383.368 1.750 20 5 GDBDMM COc1cc2c(cc1OC)CN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000821727370 607162553 /nfs/dbraw/zinc/16/25/53/607162553.db2.gz IOYHZGLYHXRDJY-UHFFFAOYSA-N -1 1 383.368 1.750 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000823619854 607165592 /nfs/dbraw/zinc/16/55/92/607165592.db2.gz CEVCYHRJGPJFHR-NSHDSACASA-N -1 1 392.383 1.597 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000823619854 607165594 /nfs/dbraw/zinc/16/55/94/607165594.db2.gz CEVCYHRJGPJFHR-NSHDSACASA-N -1 1 392.383 1.597 20 5 GDBDMM CCN(Cc1ccncc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825439880 608415428 /nfs/dbraw/zinc/41/54/28/608415428.db2.gz RUEGFHRMNCDHMS-UHFFFAOYSA-N -1 1 389.397 1.381 20 5 GDBDMM CCc1nn(Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)c(-c2nn[n-]n2)c1CC 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Cn1c(=O)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc2ccccc21 ZINC000490295166 531524551 /nfs/dbraw/zinc/52/45/51/531524551.db2.gz ADHGFDPZGHEJHD-UHFFFAOYSA-N -1 1 379.419 1.987 20 5 GDBDMM O=C(NCCCCn1cc(Br)cn1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000280694492 531526542 /nfs/dbraw/zinc/52/65/42/531526542.db2.gz WJWQJLMXDSZBLA-UHFFFAOYSA-N -1 1 384.190 1.865 20 5 GDBDMM CN1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCC1=O ZINC000295753627 531620232 /nfs/dbraw/zinc/62/02/32/531620232.db2.gz XNJBLGASBIGRFP-SSDOTTSWSA-N -1 1 382.225 1.801 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCCN(CCCO)C2)cc1Cl ZINC000296108623 531655792 /nfs/dbraw/zinc/65/57/92/531655792.db2.gz GXHCABQJKGKXSD-JTQLQIEISA-N -1 1 395.840 1.512 20 5 GDBDMM Cn1ncc(CCC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1 ZINC000297233368 531771859 /nfs/dbraw/zinc/77/18/59/531771859.db2.gz WQQDWBDISKWOJF-UHFFFAOYSA-N -1 1 394.240 1.941 20 5 GDBDMM CCn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1 ZINC000594839360 531859152 /nfs/dbraw/zinc/85/91/52/531859152.db2.gz LLZBZDBPOHGOOY-UHFFFAOYSA-N -1 1 379.320 1.704 20 5 GDBDMM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)cn1 ZINC000369401682 531963277 /nfs/dbraw/zinc/96/32/77/531963277.db2.gz BVPQNVIEORQZIC-JTQLQIEISA-N -1 1 385.833 1.539 20 5 GDBDMM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1=O ZINC000285163539 532040514 /nfs/dbraw/zinc/04/05/14/532040514.db2.gz LUXKSYAWQMDTRH-MRVPVSSYSA-N -1 1 396.194 1.005 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H](O)C1CC1 ZINC000285165826 532041033 /nfs/dbraw/zinc/04/10/33/532041033.db2.gz LWRUIMOJZSMIJY-SNVBAGLBSA-N -1 1 383.195 1.546 20 5 GDBDMM C[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000285780586 532112640 /nfs/dbraw/zinc/11/26/40/532112640.db2.gz XIGHLLUBGADKLR-SSDOTTSWSA-N -1 1 385.211 1.936 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1O ZINC000285993983 532125821 /nfs/dbraw/zinc/12/58/21/532125821.db2.gz NCDKBKLNXQHKIG-WRWORJQWSA-N -1 1 397.222 1.936 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ncc(C(=O)OC)s2)c([N+](=O)[O-])n1 ZINC000425200805 532127760 /nfs/dbraw/zinc/12/77/60/532127760.db2.gz IJVHBPOSTHBEFQ-ZETCQYMHSA-N -1 1 389.415 1.094 20 5 GDBDMM C[C@]1([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000286577268 532161456 /nfs/dbraw/zinc/16/14/56/532161456.db2.gz WHXWFOSGMITFJD-NSHDSACASA-N -1 1 383.195 1.954 20 5 GDBDMM O=C([O-])[C@@H]1[C@H]2CCC[N@H+]2CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000377159509 532245547 /nfs/dbraw/zinc/24/55/47/532245547.db2.gz XNZPCAUDIXHITD-PWSUYJOCSA-N -1 1 389.817 1.170 20 5 GDBDMM O=C([O-])[C@@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000377159509 532245550 /nfs/dbraw/zinc/24/55/50/532245550.db2.gz XNZPCAUDIXHITD-PWSUYJOCSA-N -1 1 389.817 1.170 20 5 GDBDMM C[C@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCS(=O)(=O)C1 ZINC000289611218 532329476 /nfs/dbraw/zinc/32/94/76/532329476.db2.gz XGWGMMAQGPRUQH-NSHDSACASA-N -1 1 386.810 1.243 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2nncn2C2CC2)cc1Cl ZINC000289880111 532333588 /nfs/dbraw/zinc/33/35/88/532333588.db2.gz OHPXWUUFFXMWEQ-UHFFFAOYSA-N -1 1 375.769 1.792 20 5 GDBDMM Cc1nsc(N2CCCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)n1 ZINC000822531170 607348585 /nfs/dbraw/zinc/34/85/85/607348585.db2.gz VXELGUHWFVWJEK-UHFFFAOYSA-N -1 1 387.429 1.652 20 5 GDBDMM O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000738367349 598689564 /nfs/dbraw/zinc/68/95/64/598689564.db2.gz RHVFBOGJLRFJGL-UHFFFAOYSA-N -1 1 390.356 1.665 20 5 GDBDMM COc1cc(CN(CC(=O)[O-])C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc(OC)c1 ZINC000737882062 599747213 /nfs/dbraw/zinc/74/72/13/599747213.db2.gz WSGOERKMIJZLLP-UHFFFAOYSA-N -1 1 378.341 1.371 20 5 GDBDMM COc1ccc(OC)c([C@@H](O)CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC000826210788 607450269 /nfs/dbraw/zinc/45/02/69/607450269.db2.gz FGMUQWGEBPVUGM-HNNXBMFYSA-N -1 1 386.368 1.938 20 5 GDBDMM COc1ccc(OC)c([C@@H](O)CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC000826210788 607450270 /nfs/dbraw/zinc/45/02/70/607450270.db2.gz FGMUQWGEBPVUGM-HNNXBMFYSA-N -1 1 386.368 1.938 20 5 GDBDMM COC(=O)c1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC000481974280 600690154 /nfs/dbraw/zinc/69/01/54/600690154.db2.gz OREXHMUFCUYYQF-UHFFFAOYSA-N -1 1 394.361 1.809 20 5 GDBDMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827694735 601083568 /nfs/dbraw/zinc/08/35/68/601083568.db2.gz JRKSGKFVHYKBPF-SECBINFHSA-N -1 1 397.347 1.926 20 5 GDBDMM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000833263276 601976207 /nfs/dbraw/zinc/97/62/07/601976207.db2.gz JSWFTTMGAMXLAI-UHFFFAOYSA-N -1 1 378.406 1.884 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826500110 607572808 /nfs/dbraw/zinc/57/28/08/607572808.db2.gz LMPGKDUMZMZMHD-UHFFFAOYSA-N -1 1 394.800 1.907 20 5 GDBDMM COc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826211384 607575220 /nfs/dbraw/zinc/57/52/20/607575220.db2.gz ADPSXNWTHKNBSO-UHFFFAOYSA-N -1 1 391.365 1.860 20 5 GDBDMM O=[N+]([O-])c1ncccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826501031 607575947 /nfs/dbraw/zinc/57/59/47/607575947.db2.gz WLUTUOSCYZYNTR-UHFFFAOYSA-N -1 1 382.745 1.591 20 5 GDBDMM O=[N+]([O-])c1ncccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826501031 607575949 /nfs/dbraw/zinc/57/59/49/607575949.db2.gz WLUTUOSCYZYNTR-UHFFFAOYSA-N -1 1 382.745 1.591 20 5 GDBDMM O=Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826483947 607576120 /nfs/dbraw/zinc/57/61/20/607576120.db2.gz HABZVVZEEPSEIQ-UHFFFAOYSA-N -1 1 393.312 1.494 20 5 GDBDMM O=Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826483947 607576122 /nfs/dbraw/zinc/57/61/22/607576122.db2.gz HABZVVZEEPSEIQ-UHFFFAOYSA-N -1 1 393.312 1.494 20 5 GDBDMM COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826212200 607578528 /nfs/dbraw/zinc/57/85/28/607578528.db2.gz JRSSIUYARBRDMK-UHFFFAOYSA-N -1 1 391.365 1.860 20 5 GDBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1cccnc1 ZINC000824640791 607611301 /nfs/dbraw/zinc/61/13/01/607611301.db2.gz OZAMLKMQMWHZPZ-VIFPVBQESA-N -1 1 375.370 1.209 20 5 GDBDMM CC(C)CC[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824243437 607641844 /nfs/dbraw/zinc/64/18/44/607641844.db2.gz GFYVTCWHKJFKIE-HNNXBMFYSA-N -1 1 398.445 1.240 20 5 GDBDMM CS[C@H]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826227574 607650789 /nfs/dbraw/zinc/65/07/89/607650789.db2.gz SZFXDNWMPHZWHN-BDAKNGLRSA-N -1 1 384.443 1.337 20 5 GDBDMM COc1cc(NCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc(OC)c1 ZINC000826180748 607730007 /nfs/dbraw/zinc/73/00/07/607730007.db2.gz VNHBCEADGZWMSH-UHFFFAOYSA-N -1 1 386.372 1.711 20 5 GDBDMM COc1cc(NCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc(OC)c1 ZINC000826180748 607730008 /nfs/dbraw/zinc/73/00/08/607730008.db2.gz VNHBCEADGZWMSH-UHFFFAOYSA-N -1 1 386.372 1.711 20 5 GDBDMM C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833608913 605394326 /nfs/dbraw/zinc/39/43/26/605394326.db2.gz CKOQOEGJHVLQFT-TXEJJXNPSA-N -1 1 385.442 1.834 20 5 GDBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000823635460 606445684 /nfs/dbraw/zinc/44/56/84/606445684.db2.gz XCSCOLHHQXXYEI-BXUZGUMPSA-N -1 1 391.775 1.330 20 5 GDBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000823635460 606445685 /nfs/dbraw/zinc/44/56/85/606445685.db2.gz XCSCOLHHQXXYEI-BXUZGUMPSA-N -1 1 391.775 1.330 20 5 GDBDMM COc1ccc(OC)c([C@H](O)CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC000821842101 606644901 /nfs/dbraw/zinc/64/49/01/606644901.db2.gz OKMJWWHUFYNMSM-OAHLLOKOSA-N -1 1 386.368 1.938 20 5 GDBDMM CC(C)(C)OC(=O)NC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000819940262 606698455 /nfs/dbraw/zinc/69/84/55/606698455.db2.gz UYJBPXYHHDILJU-UHFFFAOYSA-N -1 1 390.404 1.663 20 5 GDBDMM CC(C)(C)OC(=O)NC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000819940262 606698456 /nfs/dbraw/zinc/69/84/56/606698456.db2.gz UYJBPXYHHDILJU-UHFFFAOYSA-N -1 1 390.404 1.663 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nnc(N2CCOCC2)s1 ZINC000823629633 606702463 /nfs/dbraw/zinc/70/24/63/606702463.db2.gz CMQVKZGZBLZIRJ-UHFFFAOYSA-N -1 1 393.414 1.009 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nnc(N2CCOCC2)s1 ZINC000823629633 606702465 /nfs/dbraw/zinc/70/24/65/606702465.db2.gz CMQVKZGZBLZIRJ-UHFFFAOYSA-N -1 1 393.414 1.009 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nnc(N2CCCC2)s1 ZINC000823630112 606702845 /nfs/dbraw/zinc/70/28/45/606702845.db2.gz SBPCJVGQXMWHBG-UHFFFAOYSA-N -1 1 377.415 1.773 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nnc(N2CCCC2)s1 ZINC000823630112 606702847 /nfs/dbraw/zinc/70/28/47/606702847.db2.gz SBPCJVGQXMWHBG-UHFFFAOYSA-N -1 1 377.415 1.773 20 5 GDBDMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821014701 606704863 /nfs/dbraw/zinc/70/48/63/606704863.db2.gz KCKIRABRUBRLNH-NEPJUHHUSA-N -1 1 388.432 1.691 20 5 GDBDMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821014701 606704865 /nfs/dbraw/zinc/70/48/65/606704865.db2.gz KCKIRABRUBRLNH-NEPJUHHUSA-N -1 1 388.432 1.691 20 5 GDBDMM Cc1nc(CN2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)oc1C ZINC000822440730 606707008 /nfs/dbraw/zinc/70/70/08/606707008.db2.gz PELPLSKQPAFMTG-UHFFFAOYSA-N -1 1 385.388 1.097 20 5 GDBDMM Cc1nc(CN2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)oc1C ZINC000822440730 606707010 /nfs/dbraw/zinc/70/70/10/606707010.db2.gz PELPLSKQPAFMTG-UHFFFAOYSA-N -1 1 385.388 1.097 20 5 GDBDMM CC(C)(C)OC(=O)N1CC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000819933218 606709065 /nfs/dbraw/zinc/70/90/65/606709065.db2.gz KARWMHGYZZPNNO-VIFPVBQESA-N -1 1 376.377 1.591 20 5 GDBDMM CC(C)(C)OC(=O)N1CC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000819933218 606709066 /nfs/dbraw/zinc/70/90/66/606709066.db2.gz KARWMHGYZZPNNO-VIFPVBQESA-N -1 1 376.377 1.591 20 5 GDBDMM Cc1ccc2c(c1)N(S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)CC2 ZINC000822280013 607155956 /nfs/dbraw/zinc/15/59/56/607155956.db2.gz HIBZJOQGPVUSQS-UHFFFAOYSA-N -1 1 386.393 1.835 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000823624925 607163173 /nfs/dbraw/zinc/16/31/73/607163173.db2.gz KZNSSPUGRMGSJW-CQSZACIVSA-N -1 1 396.411 1.483 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000823624925 607163175 /nfs/dbraw/zinc/16/31/75/607163175.db2.gz KZNSSPUGRMGSJW-CQSZACIVSA-N -1 1 396.411 1.483 20 5 GDBDMM COc1ccc(OC)c2c1CN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C[C@H]2O ZINC000821843021 607164975 /nfs/dbraw/zinc/16/49/75/607164975.db2.gz XRVJQLVEXSFPPI-LLVKDONJSA-N -1 1 399.367 1.241 20 5 GDBDMM COc1ccc(OC)c2c1CN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C[C@H]2O ZINC000821843021 607164977 /nfs/dbraw/zinc/16/49/77/607164977.db2.gz XRVJQLVEXSFPPI-LLVKDONJSA-N -1 1 399.367 1.241 20 5 GDBDMM COc1ccc(OC)c2c1CN(c1ccc([N+](=O)[O-])c(-c3nnn[n-]3)c1)C[C@H]2O ZINC000826210723 607839010 /nfs/dbraw/zinc/83/90/10/607839010.db2.gz BTJNINSBPZOQIB-CQSZACIVSA-N -1 1 398.379 1.846 20 5 GDBDMM COc1ccc(OC)c2c1CN(c1ccc([N+](=O)[O-])c(-c3nn[n-]n3)c1)C[C@H]2O ZINC000826210723 607839011 /nfs/dbraw/zinc/83/90/11/607839011.db2.gz BTJNINSBPZOQIB-CQSZACIVSA-N -1 1 398.379 1.846 20 5 GDBDMM Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)cs1 ZINC000826325559 607839507 /nfs/dbraw/zinc/83/95/07/607839507.db2.gz CDGGKXGJTNCOKH-UHFFFAOYSA-N -1 1 386.441 1.862 20 5 GDBDMM Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)cs1 ZINC000826325559 607839508 /nfs/dbraw/zinc/83/95/08/607839508.db2.gz CDGGKXGJTNCOKH-UHFFFAOYSA-N -1 1 386.441 1.862 20 5 GDBDMM CN(C[C@H]1CCCN1c1cccnn1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825907699 607842104 /nfs/dbraw/zinc/84/21/04/607842104.db2.gz BHFGUESMQMNSBF-CYBMUJFWSA-N -1 1 381.400 1.670 20 5 GDBDMM CN(C[C@H]1CCCN1c1cccnn1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825907699 607842105 /nfs/dbraw/zinc/84/21/05/607842105.db2.gz BHFGUESMQMNSBF-CYBMUJFWSA-N -1 1 381.400 1.670 20 5 GDBDMM Cc1cnc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)o1 ZINC000826317999 609448931 /nfs/dbraw/zinc/44/89/31/609448931.db2.gz RUZWYHPVYMIZCI-MRVPVSSYSA-N -1 1 379.358 1.111 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CN2CCN1CCC2 ZINC000917061661 660205182 /nfs/dbraw/zinc/20/51/82/660205182.db2.gz OHJFGQQFBSLQEI-JTQLQIEISA-N -1 1 392.840 1.056 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000920011170 660263515 /nfs/dbraw/zinc/26/35/15/660263515.db2.gz TXHNLDNINRWSHB-MFKMUULPSA-N -1 1 376.866 1.161 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H](O)[C@@H]1CCOC1 ZINC000443277533 647197035 /nfs/dbraw/zinc/19/70/35/647197035.db2.gz SZJPCXIATUWHPT-KCJUWKMLSA-N -1 1 395.231 1.033 20 5 GDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCn1cc(Br)cn1 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/nfs/dbraw/zinc/73/16/45/605731645.db2.gz CMNBAHAHVLVBJX-ZDUSSCGKSA-N -1 1 391.340 1.627 20 5 GDBDMM CN(C)C(=O)COc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821577952 606699219 /nfs/dbraw/zinc/69/92/19/606699219.db2.gz GDGZWOJGXQCFCB-UHFFFAOYSA-N -1 1 398.383 1.249 20 5 GDBDMM CN(C)C(=O)COc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821577952 606699220 /nfs/dbraw/zinc/69/92/20/606699220.db2.gz GDGZWOJGXQCFCB-UHFFFAOYSA-N -1 1 398.383 1.249 20 5 GDBDMM O=C(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000823014356 606702078 /nfs/dbraw/zinc/70/20/78/606702078.db2.gz LIZKNJGBLUDHJI-UHFFFAOYSA-N -1 1 380.368 1.561 20 5 GDBDMM O=C(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000823014356 606702079 /nfs/dbraw/zinc/70/20/79/606702079.db2.gz LIZKNJGBLUDHJI-UHFFFAOYSA-N -1 1 380.368 1.561 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1nnc2n1CCCCC2 ZINC000823624942 606707379 /nfs/dbraw/zinc/70/73/79/606707379.db2.gz LRFLWGIPKNHKHF-UHFFFAOYSA-N -1 1 384.404 1.533 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCc1nnc2n1CCCCC2 ZINC000823624942 606707381 /nfs/dbraw/zinc/70/73/81/606707381.db2.gz LRFLWGIPKNHKHF-UHFFFAOYSA-N -1 1 384.404 1.533 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000823620063 606709028 /nfs/dbraw/zinc/70/90/28/606709028.db2.gz HMSKDBCSGCHDJS-MRVPVSSYSA-N -1 1 393.310 1.300 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000823620063 606709030 /nfs/dbraw/zinc/70/90/30/606709030.db2.gz HMSKDBCSGCHDJS-MRVPVSSYSA-N -1 1 393.310 1.300 20 5 GDBDMM Cc1noc(C)c1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822522780 606731452 /nfs/dbraw/zinc/73/14/52/606731452.db2.gz NAMCYGNGVWFUMI-UHFFFAOYSA-N -1 1 393.385 1.200 20 5 GDBDMM C[C@@H]1[C@H](C)SCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820818966 606734479 /nfs/dbraw/zinc/73/44/79/606734479.db2.gz DBADBIUGTTYVNG-BDAKNGLRSA-N -1 1 384.443 1.289 20 5 GDBDMM CC(C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820067052 606735427 /nfs/dbraw/zinc/73/54/27/606735427.db2.gz BCMOYALLVCXZKX-LLVKDONJSA-N -1 1 380.430 1.832 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC000823648596 607154992 /nfs/dbraw/zinc/15/49/92/607154992.db2.gz XTDWTOSPPQZIPV-UHFFFAOYSA-N -1 1 388.365 1.363 20 5 GDBDMM CN(c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000826004015 607841212 /nfs/dbraw/zinc/84/12/12/607841212.db2.gz DYTPAYJXJONWPU-ZDUSSCGKSA-N -1 1 381.400 1.670 20 5 GDBDMM Cc1nc(C)n(C[C@H]2CCCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)C2)n1 ZINC000826324188 607841989 /nfs/dbraw/zinc/84/19/89/607841989.db2.gz HXHCFQNLUQQGKN-ZDUSSCGKSA-N -1 1 383.416 1.900 20 5 GDBDMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000826459118 609312046 /nfs/dbraw/zinc/31/20/46/609312046.db2.gz VEGJECRXXJDSDQ-UHFFFAOYSA-N -1 1 384.291 1.075 20 5 GDBDMM 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O=C1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CN1C1CC1 ZINC000809823911 655138722 /nfs/dbraw/zinc/13/87/22/655138722.db2.gz VSCZWGMGEICIMH-ZETCQYMHSA-N -1 1 394.236 1.943 20 5 GDBDMM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829508 655139815 /nfs/dbraw/zinc/13/98/15/655139815.db2.gz HQTUXTHPLSBHIN-QMMMGPOBSA-N -1 1 387.197 1.104 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CCO)C2CCOCC2)cc1Cl ZINC000809833137 655140406 /nfs/dbraw/zinc/14/04/06/655140406.db2.gz WDEZMNVENQEBCV-GFCCVEGCSA-N -1 1 396.824 1.843 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CO)C2CCOCC2)cc1Cl ZINC000809843649 655141925 /nfs/dbraw/zinc/14/19/25/655141925.db2.gz OYUPRQZJFIXESM-LLVKDONJSA-N -1 1 382.797 1.453 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]Cc1cccnn1 ZINC000795958632 655198351 /nfs/dbraw/zinc/19/83/51/655198351.db2.gz XWQQHCJCJBIURJ-UHFFFAOYSA-N -1 1 391.178 1.765 20 5 GDBDMM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 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/nfs/dbraw/zinc/34/44/79/655344479.db2.gz RIWVRLODQMQAKC-WCBMZHEXSA-N -1 1 381.204 1.049 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCS(=O)(=O)C1CC1 ZINC000841557682 655346407 /nfs/dbraw/zinc/34/64/07/655346407.db2.gz MOAZLDGUTNERCL-UHFFFAOYSA-N -1 1 386.810 1.243 20 5 GDBDMM CC(C)(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000841560473 655347223 /nfs/dbraw/zinc/34/72/23/655347223.db2.gz LZCDJLWPHCQXBB-UHFFFAOYSA-N -1 1 384.863 1.740 20 5 GDBDMM O=C1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCN1 ZINC000841563210 655348085 /nfs/dbraw/zinc/34/80/85/655348085.db2.gz UPYYHMVLTYYMAD-SSDOTTSWSA-N -1 1 382.225 1.849 20 5 GDBDMM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])cc1Br ZINC000842323551 655362193 /nfs/dbraw/zinc/36/21/93/655362193.db2.gz VMKXFUOAVQVVHO-PSASIEDQSA-N -1 1 393.215 1.318 20 5 GDBDMM CCON(C)C(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000846005110 655443434 /nfs/dbraw/zinc/44/34/34/655443434.db2.gz ZCFZPSBGPDBDOP-UHFFFAOYSA-N -1 1 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C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1)CC(F)F ZINC001575118283 951984118 /nfs/dbraw/zinc/98/41/18/951984118.db2.gz RSCVJGKIAOJSGA-ZETCQYMHSA-N -1 1 376.345 1.345 20 5 GDBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CC[C@@](C)(C(=O)[O-])C3)c2)CC1 ZINC001593786718 954705885 /nfs/dbraw/zinc/70/58/85/954705885.db2.gz DKLIUEYJYORGBO-GOSISDBHSA-N -1 1 391.428 1.675 20 5 GDBDMM Cc1c(C[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000852734767 955842457 /nfs/dbraw/zinc/84/24/57/955842457.db2.gz CZQNDLXOSWJMQN-AAEUAGOBSA-N -1 1 389.330 1.999 20 5 GDBDMM C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCN1CCC(=O)[O-] ZINC001594490063 985597224 /nfs/dbraw/zinc/59/72/24/985597224.db2.gz VAISWBOJFKRDAF-LBPRGKRZSA-N -1 1 387.396 1.606 20 5 GDBDMM C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN1CCC(=O)[O-] ZINC001594493519 985615054 /nfs/dbraw/zinc/61/50/54/985615054.db2.gz BSNZOZJWIDTTME-CYBMUJFWSA-N -1 1 387.396 1.402 20 5 GDBDMM 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/nfs/dbraw/zinc/58/94/70/607589470.db2.gz DQRQUUWWJSYHLP-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000826499315 607589472 /nfs/dbraw/zinc/58/94/72/607589472.db2.gz DQRQUUWWJSYHLP-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM CCSCC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825675226 607656077 /nfs/dbraw/zinc/65/60/77/607656077.db2.gz ZTDIWLMBCISYID-VIFPVBQESA-N -1 1 386.459 1.585 20 5 GDBDMM C[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCS1 ZINC000824824243 607669856 /nfs/dbraw/zinc/66/98/56/607669856.db2.gz SJJQTKWVNGKPIG-ZDUSSCGKSA-N -1 1 384.443 1.339 20 5 GDBDMM O=C([O-])N1CCC2(CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000834095257 605901262 /nfs/dbraw/zinc/90/12/62/605901262.db2.gz ZRHDXDDGQMQBQK-UHFFFAOYSA-N -1 1 388.424 1.950 20 5 GDBDMM O=C(NC1CC1)c1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000823144529 606698417 /nfs/dbraw/zinc/69/84/17/606698417.db2.gz HSUYBKOYQVRNQR-UHFFFAOYSA-N -1 1 380.368 1.674 20 5 GDBDMM O=C(NC1CC1)c1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000823144529 606698419 /nfs/dbraw/zinc/69/84/19/606698419.db2.gz HSUYBKOYQVRNQR-UHFFFAOYSA-N -1 1 380.368 1.674 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2nncn2C2CC2)CC1 ZINC000823619896 606711144 /nfs/dbraw/zinc/71/11/44/606711144.db2.gz CRLMBXOVLDGKBZ-UHFFFAOYSA-N -1 1 382.388 1.480 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2nncn2C2CC2)CC1 ZINC000823619896 606711145 /nfs/dbraw/zinc/71/11/45/606711145.db2.gz CRLMBXOVLDGKBZ-UHFFFAOYSA-N -1 1 382.388 1.480 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000823647982 606732011 /nfs/dbraw/zinc/73/20/11/606732011.db2.gz RHYIGUGJCDGOQB-UHFFFAOYSA-N -1 1 386.393 1.522 20 5 GDBDMM CCN(Cc1ccoc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821231170 606732592 /nfs/dbraw/zinc/73/25/92/606732592.db2.gz WZLKUKVTLOYYGP-UHFFFAOYSA-N -1 1 378.370 1.579 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2C2CCC2)c1-c1nn[n-]n1 ZINC000823648419 606735805 /nfs/dbraw/zinc/73/58/05/606735805.db2.gz WTIKQXBODIQDSQ-NSHDSACASA-N -1 1 378.414 1.728 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000820803661 606775334 /nfs/dbraw/zinc/77/53/34/606775334.db2.gz DSMNFFKTTFCJMF-LBPRGKRZSA-N -1 1 381.400 1.276 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000826497849 607811106 /nfs/dbraw/zinc/81/11/06/607811106.db2.gz WOIMSDMFCXGSMN-SFHVURJKSA-N -1 1 379.380 1.848 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000826497849 607811107 /nfs/dbraw/zinc/81/11/07/607811107.db2.gz WOIMSDMFCXGSMN-SFHVURJKSA-N -1 1 379.380 1.848 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@]2(CCc3ccccc32)C1 ZINC000826497848 607811109 /nfs/dbraw/zinc/81/11/09/607811109.db2.gz WOIMSDMFCXGSMN-GOSISDBHSA-N -1 1 379.380 1.848 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@]2(CCc3ccccc32)C1 ZINC000826497848 607811110 /nfs/dbraw/zinc/81/11/10/607811110.db2.gz WOIMSDMFCXGSMN-GOSISDBHSA-N -1 1 379.380 1.848 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])n1 ZINC000825804410 607851791 /nfs/dbraw/zinc/85/17/91/607851791.db2.gz AFBXGIXHQBAKSR-VIFPVBQESA-N -1 1 392.401 1.031 20 5 GDBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826498092 608173238 /nfs/dbraw/zinc/17/32/38/608173238.db2.gz HMTXUPXJFCKHHQ-PSASIEDQSA-N -1 1 397.804 1.391 20 5 GDBDMM O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826498092 608173240 /nfs/dbraw/zinc/17/32/40/608173240.db2.gz HMTXUPXJFCKHHQ-PSASIEDQSA-N -1 1 397.804 1.391 20 5 GDBDMM CN(CCN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000825937406 608552313 /nfs/dbraw/zinc/55/23/13/608552313.db2.gz CKZMYYVXKOTWQI-UHFFFAOYSA-N -1 1 378.393 1.473 20 5 GDBDMM CN(CCN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000825937406 608552314 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20 5 GDBDMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000737225426 598947583 /nfs/dbraw/zinc/94/75/83/598947583.db2.gz NGDYLWAHGHSSQL-UHFFFAOYSA-N -1 1 375.370 1.466 20 5 GDBDMM C[C@@H](O)CCN(C)c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N(C)CC[C@H](C)O)c1 ZINC000820473911 599052422 /nfs/dbraw/zinc/05/24/22/599052422.db2.gz OFBQYHDOMYKYLD-NEPJUHHUSA-N -1 1 393.448 1.189 20 5 GDBDMM C[C@@H](O)CCN(C)c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N(C)CC[C@H](C)O)c1 ZINC000820473911 599052425 /nfs/dbraw/zinc/05/24/25/599052425.db2.gz OFBQYHDOMYKYLD-NEPJUHHUSA-N -1 1 393.448 1.189 20 5 GDBDMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736156960 599133925 /nfs/dbraw/zinc/13/39/25/599133925.db2.gz GNMPVBHSORJWMS-VIFPVBQESA-N -1 1 383.324 1.354 20 5 GDBDMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736156960 599133927 /nfs/dbraw/zinc/13/39/27/599133927.db2.gz GNMPVBHSORJWMS-VIFPVBQESA-N -1 1 383.324 1.354 20 5 GDBDMM O=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000738358175 598692689 /nfs/dbraw/zinc/69/26/89/598692689.db2.gz ACYMLKOKGZDEQL-UHFFFAOYSA-N -1 1 378.345 1.393 20 5 GDBDMM O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000738316917 598693606 /nfs/dbraw/zinc/69/36/06/598693606.db2.gz HHDXNGNCCIKJBG-UHFFFAOYSA-N -1 1 393.312 1.494 20 5 GDBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CCO[C@H](C)C3)c2)CCO1 ZINC000736288507 599361233 /nfs/dbraw/zinc/36/12/33/599361233.db2.gz IATRIZSPHOUMOD-VXGBXAGGSA-N -1 1 389.416 1.225 20 5 GDBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3CCO[C@H](C)C3)c2)CCO1 ZINC000736288507 599361237 /nfs/dbraw/zinc/36/12/37/599361237.db2.gz IATRIZSPHOUMOD-VXGBXAGGSA-N -1 1 389.416 1.225 20 5 GDBDMM CC[C@@](C)(O)CNc1cc(NC[C@](C)(O)CC)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000820862124 599514387 /nfs/dbraw/zinc/51/43/87/599514387.db2.gz PCTBDSPAHCEECK-IAGOWNOFSA-N -1 1 393.448 1.921 20 5 GDBDMM CC[C@@](C)(O)CNc1cc(NC[C@](C)(O)CC)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000820862124 599514389 /nfs/dbraw/zinc/51/43/89/599514389.db2.gz PCTBDSPAHCEECK-IAGOWNOFSA-N -1 1 393.448 1.921 20 5 GDBDMM NS(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000826394497 607448849 /nfs/dbraw/zinc/44/88/49/607448849.db2.gz MGAKYYJKESJCRH-UHFFFAOYSA-N -1 1 389.397 1.077 20 5 GDBDMM NS(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000826394497 607448851 /nfs/dbraw/zinc/44/88/51/607448851.db2.gz MGAKYYJKESJCRH-UHFFFAOYSA-N -1 1 389.397 1.077 20 5 GDBDMM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(C[C@H]2CCOC2)CC1 ZINC000833306586 601410959 /nfs/dbraw/zinc/41/09/59/601410959.db2.gz CNIPCNUBFNIWKN-LLVKDONJSA-N -1 1 380.357 1.360 20 5 GDBDMM C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824844416 607538860 /nfs/dbraw/zinc/53/88/60/607538860.db2.gz XHCYCQSXIMXWJP-KRWDZBQOSA-N -1 1 394.351 1.137 20 5 GDBDMM C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824844416 607538862 /nfs/dbraw/zinc/53/88/62/607538862.db2.gz XHCYCQSXIMXWJP-KRWDZBQOSA-N -1 1 394.351 1.137 20 5 GDBDMM C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824843277 607543344 /nfs/dbraw/zinc/54/33/44/607543344.db2.gz CIIJGDZRZVZDSB-KRWDZBQOSA-N -1 1 394.351 1.137 20 5 GDBDMM C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824843277 607543346 /nfs/dbraw/zinc/54/33/46/607543346.db2.gz CIIJGDZRZVZDSB-KRWDZBQOSA-N -1 1 394.351 1.137 20 5 GDBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1cccs1 ZINC000824640142 607577789 /nfs/dbraw/zinc/57/77/89/607577789.db2.gz BAXCHZHQPVJLND-MRVPVSSYSA-N -1 1 380.411 1.876 20 5 GDBDMM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826500049 607591603 /nfs/dbraw/zinc/59/16/03/607591603.db2.gz JKYULDSXHKFUCP-UHFFFAOYSA-N -1 1 394.800 1.907 20 5 GDBDMM CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1ccncc1 ZINC000825149505 607645192 /nfs/dbraw/zinc/64/51/92/607645192.db2.gz ZCKAUPADJZDUHF-NSHDSACASA-N -1 1 389.397 1.600 20 5 GDBDMM O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826499904 607651832 /nfs/dbraw/zinc/65/18/32/607651832.db2.gz DJZYDTCTGLUHHB-UHFFFAOYSA-N -1 1 392.372 1.435 20 5 GDBDMM O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826499904 607651834 /nfs/dbraw/zinc/65/18/34/607651834.db2.gz DJZYDTCTGLUHHB-UHFFFAOYSA-N -1 1 392.372 1.435 20 5 GDBDMM CCC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCOCC1 ZINC000825171975 607657392 /nfs/dbraw/zinc/65/73/92/607657392.db2.gz XRAYBWCRXPSSDK-UHFFFAOYSA-N -1 1 396.429 1.260 20 5 GDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826500753 607691957 /nfs/dbraw/zinc/69/19/57/607691957.db2.gz KWWZUDBJTCDUAQ-UHFFFAOYSA-N -1 1 387.381 1.138 20 5 GDBDMM CN(C)C(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1C ZINC000536990502 605041714 /nfs/dbraw/zinc/04/17/14/605041714.db2.gz DORBJLXLGVJKQT-UHFFFAOYSA-N -1 1 396.381 1.134 20 5 GDBDMM C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN1CCC(=O)[O-] ZINC000833625777 605257578 /nfs/dbraw/zinc/25/75/78/605257578.db2.gz ZZVFYSHEDKRQAI-ZDUSSCGKSA-N -1 1 387.396 1.402 20 5 GDBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1CCC(=O)[O-] ZINC000833624025 605277563 /nfs/dbraw/zinc/27/75/63/605277563.db2.gz SRIMWBLBSYVCQL-AWEZNQCLSA-N -1 1 390.440 1.816 20 5 GDBDMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000823483745 606509349 /nfs/dbraw/zinc/50/93/49/606509349.db2.gz LSPHWARNKFSHBP-UHFFFAOYSA-N -1 1 386.397 1.194 20 5 GDBDMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000823483745 606509351 /nfs/dbraw/zinc/50/93/51/606509351.db2.gz LSPHWARNKFSHBP-UHFFFAOYSA-N -1 1 386.397 1.194 20 5 GDBDMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821014703 606704673 /nfs/dbraw/zinc/70/46/73/606704673.db2.gz KCKIRABRUBRLNH-NWDGAFQWSA-N -1 1 388.432 1.691 20 5 GDBDMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821014703 606704675 /nfs/dbraw/zinc/70/46/75/606704675.db2.gz KCKIRABRUBRLNH-NWDGAFQWSA-N -1 1 388.432 1.691 20 5 GDBDMM CC(C)(C)OC(=O)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000819923398 606706016 /nfs/dbraw/zinc/70/60/16/606706016.db2.gz ZPDATOFAIVSIRG-UHFFFAOYSA-N -1 1 375.389 1.728 20 5 GDBDMM CC(C)(C)OC(=O)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000819923398 606706017 /nfs/dbraw/zinc/70/60/17/606706017.db2.gz ZPDATOFAIVSIRG-UHFFFAOYSA-N -1 1 375.389 1.728 20 5 GDBDMM CC(C)N1C(=S)N=NC1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820211265 606710580 /nfs/dbraw/zinc/71/05/80/606710580.db2.gz GCWNGAYNLNYRCB-UHFFFAOYSA-N -1 1 376.406 1.286 20 5 GDBDMM CC(C)N1C(=S)N=NC1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820211265 606710582 /nfs/dbraw/zinc/71/05/82/606710582.db2.gz GCWNGAYNLNYRCB-UHFFFAOYSA-N -1 1 376.406 1.286 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(OC[C@H]2CCCO2)CC1 ZINC000823619914 606718583 /nfs/dbraw/zinc/71/85/83/606718583.db2.gz CXIXBSQBIRWULU-GFCCVEGCSA-N -1 1 375.389 1.334 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(OC[C@H]2CCCO2)CC1 ZINC000823619914 606718585 /nfs/dbraw/zinc/71/85/85/606718585.db2.gz CXIXBSQBIRWULU-GFCCVEGCSA-N -1 1 375.389 1.334 20 5 GDBDMM C[C@H]1SCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H]1C ZINC000820818967 606734390 /nfs/dbraw/zinc/73/43/90/606734390.db2.gz DBADBIUGTTYVNG-DTWKUNHWSA-N -1 1 384.443 1.289 20 5 GDBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000820803508 606785043 /nfs/dbraw/zinc/78/50/43/606785043.db2.gz BDVYYDVYLAHRRR-LLVKDONJSA-N -1 1 399.390 1.415 20 5 GDBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000820803508 606785044 /nfs/dbraw/zinc/78/50/44/606785044.db2.gz BDVYYDVYLAHRRR-LLVKDONJSA-N -1 1 399.390 1.415 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000820803506 606806944 /nfs/dbraw/zinc/80/69/44/606806944.db2.gz BDEJXCRFSKOLAA-JTQLQIEISA-N -1 1 385.363 1.419 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000820803506 606806946 /nfs/dbraw/zinc/80/69/46/606806946.db2.gz BDEJXCRFSKOLAA-JTQLQIEISA-N -1 1 385.363 1.419 20 5 GDBDMM Nn1c(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nnc1-c1cccs1 ZINC000822912175 607028214 /nfs/dbraw/zinc/02/82/14/607028214.db2.gz PPJYDDUQXNHVKI-UHFFFAOYSA-N -1 1 388.398 1.355 20 5 GDBDMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000823382632 607108891 /nfs/dbraw/zinc/10/88/91/607108891.db2.gz BGPBOPNVRYCNAL-UHFFFAOYSA-N -1 1 383.353 1.669 20 5 GDBDMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000823382632 607108892 /nfs/dbraw/zinc/10/88/92/607108892.db2.gz BGPBOPNVRYCNAL-UHFFFAOYSA-N -1 1 383.353 1.669 20 5 GDBDMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000823379862 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Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000822904037 607324235 /nfs/dbraw/zinc/32/42/35/607324235.db2.gz RYHZBBAZYQPVLA-UHFFFAOYSA-N -1 1 379.134 1.005 20 5 GDBDMM O=C([O-])[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000833165288 600751781 /nfs/dbraw/zinc/75/17/81/600751781.db2.gz HZVBVQXDHFVXHJ-OAHLLOKOSA-N -1 1 397.384 1.428 20 5 GDBDMM C[C@](NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)(C(=O)[O-])C1CC1 ZINC000827727046 601038313 /nfs/dbraw/zinc/03/83/13/601038313.db2.gz FLTHMDJOMPZGJA-GOSISDBHSA-N -1 1 376.413 1.086 20 5 GDBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000600870504 601101888 /nfs/dbraw/zinc/10/18/88/601101888.db2.gz VCPPGIJZMPSOSJ-CQSZACIVSA-N -1 1 390.440 1.816 20 5 GDBDMM COC[C@](C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000831632625 601803940 /nfs/dbraw/zinc/80/39/40/601803940.db2.gz YVEMSFCWLQPLHA-NSHDSACASA-N -1 1 387.197 1.670 20 5 GDBDMM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000833263986 601976975 /nfs/dbraw/zinc/97/69/75/601976975.db2.gz YYPXDPNRXXHRGN-UHFFFAOYSA-N -1 1 378.406 1.884 20 5 GDBDMM C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739038343 601990460 /nfs/dbraw/zinc/99/04/60/601990460.db2.gz KRQUIKXARXNXCU-NXEZZACHSA-N -1 1 375.378 1.791 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCc2ccccc2)c1-c1nn[n-]n1 ZINC000826500177 607574613 /nfs/dbraw/zinc/57/46/13/607574613.db2.gz NTGSWXOUMDFSIG-UHFFFAOYSA-N -1 1 388.409 1.686 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826500180 607574867 /nfs/dbraw/zinc/57/48/67/607574867.db2.gz NVCBQNGBRNZLHN-UHFFFAOYSA-N -1 1 394.800 1.907 20 5 GDBDMM COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826211978 607578717 /nfs/dbraw/zinc/57/87/17/607578717.db2.gz CDXKQCDQFSTUNU-UHFFFAOYSA-N -1 1 395.328 1.690 20 5 GDBDMM COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826211978 607578719 /nfs/dbraw/zinc/57/87/19/607578719.db2.gz CDXKQCDQFSTUNU-UHFFFAOYSA-N -1 1 395.328 1.690 20 5 GDBDMM O=C([O-])N1CCC(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000740498160 602802343 /nfs/dbraw/zinc/80/23/43/602802343.db2.gz DBHQJAZHWVSWKR-UHFFFAOYSA-N -1 1 376.413 1.743 20 5 GDBDMM C[C@@H]1CCC[C@H](C)[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824925598 607617978 /nfs/dbraw/zinc/61/79/78/607617978.db2.gz FTLWCSUGWXMGFK-MSRIBSCDSA-N -1 1 380.430 1.878 20 5 GDBDMM CC(C)CC[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824243438 607641981 /nfs/dbraw/zinc/64/19/81/607641981.db2.gz GFYVTCWHKJFKIE-OAHLLOKOSA-N -1 1 398.445 1.240 20 5 GDBDMM CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])n[nH]1 ZINC000833512753 605400811 /nfs/dbraw/zinc/40/08/11/605400811.db2.gz SWPXUZDYUYKGDB-MRVPVSSYSA-N -1 1 383.386 1.574 20 5 GDBDMM Cc1cc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)ncc1[N+](=O)[O-] ZINC000822207520 606035217 /nfs/dbraw/zinc/03/52/17/606035217.db2.gz YTQLKQFZLANYMB-UHFFFAOYSA-N -1 1 397.399 1.670 20 5 GDBDMM C[C@H]1CCCN(c2ccc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820711430 606530191 /nfs/dbraw/zinc/53/01/91/606530191.db2.gz YWKBWSMJRYKFGU-JTQLQIEISA-N -1 1 397.399 1.987 20 5 GDBDMM C[C@H]1CCCN(c2ccc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820711430 606530193 /nfs/dbraw/zinc/53/01/93/606530193.db2.gz YWKBWSMJRYKFGU-JTQLQIEISA-N -1 1 397.399 1.987 20 5 GDBDMM CC(C)[C@H](C)NC(=O)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820016663 606704437 /nfs/dbraw/zinc/70/44/37/606704437.db2.gz NSALTWYXRUZHNW-NSHDSACASA-N -1 1 388.432 1.547 20 5 GDBDMM CC(C)[C@H](C)NC(=O)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820016663 606704438 /nfs/dbraw/zinc/70/44/38/606704438.db2.gz NSALTWYXRUZHNW-NSHDSACASA-N -1 1 388.432 1.547 20 5 GDBDMM C[C@@H]1CCC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820699353 606730478 /nfs/dbraw/zinc/73/04/78/606730478.db2.gz ZBBKRZWBZGSWJP-MNOVXSKESA-N -1 1 380.430 1.974 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000820804433 606782949 /nfs/dbraw/zinc/78/29/49/606782949.db2.gz SICMDNBIDYVNPO-NSHDSACASA-N -1 1 399.390 1.415 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000820804433 606782951 /nfs/dbraw/zinc/78/29/51/606782951.db2.gz SICMDNBIDYVNPO-NSHDSACASA-N -1 1 399.390 1.415 20 5 GDBDMM CCN(CC(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821170508 607153602 /nfs/dbraw/zinc/15/36/02/607153602.db2.gz RMTJFGCFMBDOQH-UHFFFAOYSA-N -1 1 380.308 1.348 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2nnc3ccccn32)CC1 ZINC000823621049 607165324 /nfs/dbraw/zinc/16/53/24/607165324.db2.gz VZNNCBLEJTUBCO-UHFFFAOYSA-N -1 1 392.383 1.597 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2nnc3ccccn32)CC1 ZINC000823621049 607165325 /nfs/dbraw/zinc/16/53/25/607165325.db2.gz VZNNCBLEJTUBCO-UHFFFAOYSA-N -1 1 392.383 1.597 20 5 GDBDMM Cc1nc(CN2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)cs1 ZINC000826325555 607839498 /nfs/dbraw/zinc/83/94/98/607839498.db2.gz CAEWGRLKXBJPIK-UHFFFAOYSA-N -1 1 386.441 1.862 20 5 GDBDMM O=Cc1cc(F)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826483996 607908050 /nfs/dbraw/zinc/90/80/50/607908050.db2.gz IXJYJLACSSSVOC-UHFFFAOYSA-N -1 1 393.312 1.494 20 5 GDBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000826451264 607997187 /nfs/dbraw/zinc/99/71/87/607997187.db2.gz YCVXOOONFUJPSC-UHFFFAOYSA-N -1 1 384.308 1.504 20 5 GDBDMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824078384 608125318 /nfs/dbraw/zinc/12/53/18/608125318.db2.gz IJLNGQWGBRXAKC-SNVBAGLBSA-N -1 1 380.430 1.832 20 5 GDBDMM Cc1ccnc(Cl)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826309555 608153994 /nfs/dbraw/zinc/15/39/94/608153994.db2.gz SZBTUVBPBKEWBO-UHFFFAOYSA-N -1 1 396.772 1.899 20 5 GDBDMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824640679 608426043 /nfs/dbraw/zinc/42/60/43/608426043.db2.gz NIVZYYHMWBATLC-VIFPVBQESA-N -1 1 392.372 1.954 20 5 GDBDMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824640679 608426045 /nfs/dbraw/zinc/42/60/45/608426045.db2.gz NIVZYYHMWBATLC-VIFPVBQESA-N -1 1 392.372 1.954 20 5 GDBDMM C[C@H](CCNC(=O)OC(C)(C)C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824400105 609320495 /nfs/dbraw/zinc/32/04/95/609320495.db2.gz ADBOONLVNVIJGX-SECBINFHSA-N -1 1 378.393 1.885 20 5 GDBDMM C[C@H](CCNC(=O)OC(C)(C)C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824400105 609320497 /nfs/dbraw/zinc/32/04/97/609320497.db2.gz ADBOONLVNVIJGX-SECBINFHSA-N -1 1 378.393 1.885 20 5 GDBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2cnc(-c3nn[n-]n3)n2)cc1OC ZINC000825067754 609376049 /nfs/dbraw/zinc/37/60/49/609376049.db2.gz MFBIVVPILALSCP-SNVBAGLBSA-N -1 1 388.388 1.848 20 5 GDBDMM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826408599 609397404 /nfs/dbraw/zinc/39/74/04/609397404.db2.gz NNFAAVGYHZBOFH-UHFFFAOYSA-N -1 1 399.323 1.754 20 5 GDBDMM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826408599 609397407 /nfs/dbraw/zinc/39/74/07/609397407.db2.gz NNFAAVGYHZBOFH-UHFFFAOYSA-N -1 1 399.323 1.754 20 5 GDBDMM Cc1cnc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)o1 ZINC000826318000 609449399 /nfs/dbraw/zinc/44/93/99/609449399.db2.gz RUZWYHPVYMIZCI-QMMMGPOBSA-N -1 1 379.358 1.111 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826500112 609590128 /nfs/dbraw/zinc/59/01/28/609590128.db2.gz LQBGVCXOOCPBBW-JTQLQIEISA-N -1 1 382.402 1.012 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCCS2)c1-c1nn[n-]n1 ZINC000826500006 609609962 /nfs/dbraw/zinc/60/99/62/609609962.db2.gz HTOOSEKZMFVTJK-SECBINFHSA-N -1 1 384.443 1.339 20 5 GDBDMM CCOC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000555129212 650686373 /nfs/dbraw/zinc/68/63/73/650686373.db2.gz MRZKSPOYIXAORX-QMMMGPOBSA-N -1 1 387.197 1.670 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCn1ccnc1 ZINC000041066256 644324237 /nfs/dbraw/zinc/32/42/37/644324237.db2.gz ODHBNVBLLQDQIF-UHFFFAOYSA-N -1 1 375.204 1.532 20 5 GDBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCOCC1 ZINC000194339876 645060563 /nfs/dbraw/zinc/06/05/63/645060563.db2.gz HKGFMDYUAAIRNK-ZDUSSCGKSA-N -1 1 375.422 1.369 20 5 GDBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370330497 645684149 /nfs/dbraw/zinc/68/41/49/645684149.db2.gz TXWUTYREFRRCSG-LLVKDONJSA-N -1 1 397.189 1.013 20 5 GDBDMM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)cn1 ZINC000371022277 645722495 /nfs/dbraw/zinc/72/24/95/645722495.db2.gz KBIJGMXAGWMSQB-LLVKDONJSA-N -1 1 385.833 1.539 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CN(C)CCN1C ZINC000919990937 660261935 /nfs/dbraw/zinc/26/19/35/660261935.db2.gz SJPMFQWPNFRONS-ZANVPECISA-N -1 1 394.856 1.300 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1C[C@H](O)C12CCC2 ZINC000594866654 652382413 /nfs/dbraw/zinc/38/24/13/652382413.db2.gz XHTUEJMNFNSUKM-NEPJUHHUSA-N -1 1 391.243 1.939 20 5 GDBDMM CNS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768804073 654431493 /nfs/dbraw/zinc/43/14/93/654431493.db2.gz AFHHZPDLQATVDO-UHFFFAOYSA-N -1 1 391.452 1.043 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])n1 ZINC000768917134 654441651 /nfs/dbraw/zinc/44/16/51/654441651.db2.gz KTSVJWNVPRSMPT-SECBINFHSA-N -1 1 377.423 1.003 20 5 GDBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000733320209 654506524 /nfs/dbraw/zinc/50/65/24/654506524.db2.gz GOJOZYAAYICYGX-NSHDSACASA-N -1 1 386.304 1.222 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCOCC1CCOCC1 ZINC000740894126 654676008 /nfs/dbraw/zinc/67/60/08/654676008.db2.gz KQFKNWWELVIWQB-UHFFFAOYSA-N -1 1 376.406 1.846 20 5 GDBDMM COC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000776786058 654707600 /nfs/dbraw/zinc/70/76/00/654707600.db2.gz MWBGNUJACGOZSF-SECBINFHSA-N -1 1 377.444 1.802 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1nnc2ccccn21 ZINC000751254855 654879536 /nfs/dbraw/zinc/87/95/36/654879536.db2.gz HLPLFTDLVUQSBR-UHFFFAOYSA-N -1 1 381.801 1.812 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](O)c2c(F)cccc2F)c([N+](=O)[O-])n1 ZINC000754805227 654980604 /nfs/dbraw/zinc/98/06/04/654980604.db2.gz LOUHVWYRWMEAFK-SNVBAGLBSA-N -1 1 376.341 1.101 20 5 GDBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000832308373 655026616 /nfs/dbraw/zinc/02/66/16/655026616.db2.gz CELZKFFTQXBWEA-HZGVNTEJSA-N -1 1 385.211 1.934 20 5 GDBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000832308376 655026622 /nfs/dbraw/zinc/02/66/22/655026622.db2.gz CELZKFFTQXBWEA-MUWHJKNJSA-N -1 1 385.211 1.934 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCNc2ncccn2)cc1Cl ZINC000809810273 655136947 /nfs/dbraw/zinc/13/69/47/655136947.db2.gz QWTPEUHDHJESCC-UHFFFAOYSA-N -1 1 375.769 1.568 20 5 GDBDMM 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RNZNFRBZNSAHTC-AWEZNQCLSA-N -1 1 383.368 1.756 20 5 GDBDMM COc1cccc([C@@H]2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCO2)c1 ZINC000821863939 607040302 /nfs/dbraw/zinc/04/03/02/607040302.db2.gz RNZNFRBZNSAHTC-AWEZNQCLSA-N -1 1 383.368 1.756 20 5 GDBDMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000823382597 607107661 /nfs/dbraw/zinc/10/76/61/607107661.db2.gz ALTXVBVHGGFJQP-UHFFFAOYSA-N -1 1 383.353 1.669 20 5 GDBDMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000823382597 607107663 /nfs/dbraw/zinc/10/76/63/607107663.db2.gz ALTXVBVHGGFJQP-UHFFFAOYSA-N -1 1 383.353 1.669 20 5 GDBDMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000823382855 607107665 /nfs/dbraw/zinc/10/76/65/607107665.db2.gz FDODVOKCYSHCGC-UHFFFAOYSA-N -1 1 384.341 1.064 20 5 GDBDMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000823382855 607107666 /nfs/dbraw/zinc/10/76/66/607107666.db2.gz FDODVOKCYSHCGC-UHFFFAOYSA-N -1 1 384.341 1.064 20 5 GDBDMM CCN1C[C@H](CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])Oc2ccccc21 ZINC000821241467 607164002 /nfs/dbraw/zinc/16/40/02/607164002.db2.gz NOTJLUVMTDQLLE-LBPRGKRZSA-N -1 1 396.411 1.894 20 5 GDBDMM CCN1C[C@H](CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])Oc2ccccc21 ZINC000821241467 607164004 /nfs/dbraw/zinc/16/40/04/607164004.db2.gz NOTJLUVMTDQLLE-LBPRGKRZSA-N -1 1 396.411 1.894 20 5 GDBDMM C[C@@H]1OCC[C@@H]1Nc1cc(N[C@H]2CCO[C@H]2C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825022044 608148603 /nfs/dbraw/zinc/14/86/03/608148603.db2.gz VVBVZEMJPWHZMN-NUZBWSBOSA-N -1 1 389.416 1.954 20 5 GDBDMM C[C@@H]1OCC[C@@H]1Nc1cc(N[C@H]2CCO[C@H]2C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825022044 608148604 /nfs/dbraw/zinc/14/86/04/608148604.db2.gz VVBVZEMJPWHZMN-NUZBWSBOSA-N -1 1 389.416 1.954 20 5 GDBDMM Cc1c([C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(=O)[O-])cnn1C ZINC000530436012 649975553 /nfs/dbraw/zinc/97/55/53/649975553.db2.gz NYYAWNQKZLKUAF-LLVKDONJSA-N -1 1 388.789 1.394 20 5 GDBDMM Cn1c(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)ccc1[N+](=O)[O-] ZINC000826355163 609287823 /nfs/dbraw/zinc/28/78/23/609287823.db2.gz MYBDDYFPYZTZNP-UHFFFAOYSA-N -1 1 397.330 1.691 20 5 GDBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826450992 609416844 /nfs/dbraw/zinc/41/68/44/609416844.db2.gz LPONPMRFJFCJRU-OAHLLOKOSA-N -1 1 395.335 1.612 20 5 GDBDMM CCc1cnccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825739995 609448273 /nfs/dbraw/zinc/44/82/73/609448273.db2.gz MUBAZBCVDASHCW-UHFFFAOYSA-N -1 1 389.397 1.211 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCCS1(=O)=O ZINC000543170990 650420336 /nfs/dbraw/zinc/42/03/36/650420336.db2.gz QHUIZEPVJVEBNM-SECBINFHSA-N -1 1 382.847 1.494 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)COc2ccc(F)cc2)s1 ZINC000443166516 647185720 /nfs/dbraw/zinc/18/57/20/647185720.db2.gz APUNLDWEEWICRY-SNVBAGLBSA-N -1 1 376.387 1.514 20 5 GDBDMM COC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 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Cc1ccc(C[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001594360291 958443006 /nfs/dbraw/zinc/44/30/06/958443006.db2.gz SUZVXNVMIFSTEQ-WCQYABFASA-N -1 1 389.330 1.999 20 5 GDBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCC(C(=O)[O-])CC3)c2)CC1 ZINC001604227371 972724440 /nfs/dbraw/zinc/72/44/40/972724440.db2.gz DESMTVXAXUTXFF-UHFFFAOYSA-N -1 1 391.428 1.675 20 5 GDBDMM C[C@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC001594560734 986306111 /nfs/dbraw/zinc/30/61/11/986306111.db2.gz BBPHURQIKUAREG-JTQLQIEISA-N -1 1 382.373 1.483 20 5 GDBDMM CCOc1cc(N2CCN(CCC(=O)N(C)CC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC001597042040 986489609 /nfs/dbraw/zinc/48/96/09/986489609.db2.gz HFARWHSDOLUQSZ-UHFFFAOYSA-N -1 1 394.428 1.049 20 5 GDBDMM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001599475087 998518243 /nfs/dbraw/zinc/51/82/43/998518243.db2.gz QCNHTFSEEXXEKV-YUSALJHKSA-N -1 1 387.186 1.707 20 5 GDBDMM 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ZINC000290820260 531258524 /nfs/dbraw/zinc/25/85/24/531258524.db2.gz TURBRDGSEIXAIB-GFCCVEGCSA-N -1 1 382.797 1.453 20 5 GDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000525700199 531297709 /nfs/dbraw/zinc/29/77/09/531297709.db2.gz XDMKIAAAZLUTPC-UHFFFAOYSA-N -1 1 385.785 1.893 20 5 GDBDMM COC(=O)c1nscc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000481618164 531388614 /nfs/dbraw/zinc/38/86/14/531388614.db2.gz CBRCMWFCXPYZMN-UHFFFAOYSA-N -1 1 387.351 1.337 20 5 GDBDMM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000268482708 531519288 /nfs/dbraw/zinc/51/92/88/531519288.db2.gz JXORHLXPFXHDJO-SNVBAGLBSA-N -1 1 376.822 1.330 20 5 GDBDMM O=C1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CN1C1CC1 ZINC000295345616 531564352 /nfs/dbraw/zinc/56/43/52/531564352.db2.gz YCXUSBGUKBEJIS-ZETCQYMHSA-N -1 1 394.236 1.943 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000269707629 531718439 /nfs/dbraw/zinc/71/84/39/531718439.db2.gz MOOMCKGTJGVDID-MRVPVSSYSA-N -1 1 382.238 1.815 20 5 GDBDMM CNC(=O)C1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000299296007 531976929 /nfs/dbraw/zinc/97/69/29/531976929.db2.gz JVBFXVIYRFSYHD-UHFFFAOYSA-N -1 1 375.834 1.831 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000374719141 532134717 /nfs/dbraw/zinc/13/47/17/532134717.db2.gz VCCBBCPMRQJOFQ-ZWNOBZJWSA-N -1 1 376.456 1.502 20 5 GDBDMM CCN(C)C(=O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000286308842 532141597 /nfs/dbraw/zinc/14/15/97/532141597.db2.gz GYSBIOAAJPKHJB-UHFFFAOYSA-N -1 1 398.210 1.253 20 5 GDBDMM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289199827 532318176 /nfs/dbraw/zinc/31/81/76/532318176.db2.gz RMGNGJNZPQTUPC-SECBINFHSA-N -1 1 398.268 1.901 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](CO)[C@H]2CCOC2)cc1Cl ZINC000289864291 532333349 /nfs/dbraw/zinc/33/33/49/532333349.db2.gz NHZUCLNYSANVQQ-DTWKUNHWSA-N -1 1 382.797 1.311 20 5 GDBDMM O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738216047 599132687 /nfs/dbraw/zinc/13/26/87/599132687.db2.gz VOMQJBUYLNFCSV-AWEZNQCLSA-N -1 1 395.335 1.132 20 5 GDBDMM O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738216047 599132690 /nfs/dbraw/zinc/13/26/90/599132690.db2.gz VOMQJBUYLNFCSV-AWEZNQCLSA-N -1 1 395.335 1.132 20 5 GDBDMM Nc1n[nH]c(CCCNc2ccc3ncccc3c2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000737768875 598743477 /nfs/dbraw/zinc/74/34/77/598743477.db2.gz AHVWOEUJVAEDFI-UHFFFAOYSA-N -1 1 380.372 1.673 20 5 GDBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737262170 599323768 /nfs/dbraw/zinc/32/37/68/599323768.db2.gz CORQGWGTLMVRFO-UHFFFAOYSA-N -1 1 396.772 1.899 20 5 GDBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737262170 599323771 /nfs/dbraw/zinc/32/37/71/599323771.db2.gz CORQGWGTLMVRFO-UHFFFAOYSA-N -1 1 396.772 1.899 20 5 GDBDMM O=[N+]([O-])c1c(NC[C@@H](O)C2CC2)cc(NC[C@H](O)C2CC2)cc1-c1nnn[n-]1 ZINC000823629888 599685495 /nfs/dbraw/zinc/68/54/95/599685495.db2.gz KRLSWWBBXCBBDJ-LSDHHAIUSA-N -1 1 389.416 1.141 20 5 GDBDMM O=[N+]([O-])c1c(NC[C@@H](O)C2CC2)cc(NC[C@H](O)C2CC2)cc1-c1nn[n-]n1 ZINC000823629888 599685496 /nfs/dbraw/zinc/68/54/96/599685496.db2.gz KRLSWWBBXCBBDJ-LSDHHAIUSA-N -1 1 389.416 1.141 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826500254 607589227 /nfs/dbraw/zinc/58/92/27/607589227.db2.gz QBUPEFURNAUAGA-GFCCVEGCSA-N -1 1 386.393 1.911 20 5 GDBDMM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826501079 607591465 /nfs/dbraw/zinc/59/14/65/607591465.db2.gz YMQWGNCQRHVYCO-UHFFFAOYSA-N -1 1 394.800 1.907 20 5 GDBDMM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826501079 607591467 /nfs/dbraw/zinc/59/14/67/607591467.db2.gz YMQWGNCQRHVYCO-UHFFFAOYSA-N -1 1 394.800 1.907 20 5 GDBDMM Cc1c(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826243037 607591995 /nfs/dbraw/zinc/59/19/95/607591995.db2.gz RENBQPPHHBRLPJ-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1c(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826243037 607591996 /nfs/dbraw/zinc/59/19/96/607591996.db2.gz RENBQPPHHBRLPJ-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826500164 607672898 /nfs/dbraw/zinc/67/28/98/607672898.db2.gz NJWWIRMZYUGUCB-FOGDFJRCSA-N -1 1 394.413 1.011 20 5 GDBDMM Cc1cccc(C)c1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826296778 607675110 /nfs/dbraw/zinc/67/51/10/607675110.db2.gz ITWUYJGVDQUXOI-UHFFFAOYSA-N -1 1 388.409 1.870 20 5 GDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000833626949 605165702 /nfs/dbraw/zinc/16/57/02/605165702.db2.gz SXOOIGJKOZOPOZ-ZDUSSCGKSA-N -1 1 387.396 1.402 20 5 GDBDMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)n1 ZINC000833950247 605843991 /nfs/dbraw/zinc/84/39/91/605843991.db2.gz HMIGNRWWZIEPBG-UHFFFAOYSA-N -1 1 386.328 1.133 20 5 GDBDMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)n1 ZINC000833950247 605843996 /nfs/dbraw/zinc/84/39/96/605843996.db2.gz HMIGNRWWZIEPBG-UHFFFAOYSA-N -1 1 386.328 1.133 20 5 GDBDMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823027079 606134932 /nfs/dbraw/zinc/13/49/32/606134932.db2.gz LBPJNEHCIYUUHU-UHFFFAOYSA-N -1 1 392.328 1.771 20 5 GDBDMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823027079 606134934 /nfs/dbraw/zinc/13/49/34/606134934.db2.gz LBPJNEHCIYUUHU-UHFFFAOYSA-N -1 1 392.328 1.771 20 5 GDBDMM O=C(NCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000823206452 606698552 /nfs/dbraw/zinc/69/85/52/606698552.db2.gz SIOCWVHIGUGEQS-UHFFFAOYSA-N -1 1 388.775 1.665 20 5 GDBDMM O=C(NCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000823206452 606698554 /nfs/dbraw/zinc/69/85/54/606698554.db2.gz SIOCWVHIGUGEQS-UHFFFAOYSA-N -1 1 388.775 1.665 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000823619916 606718713 /nfs/dbraw/zinc/71/87/13/606718713.db2.gz CXIXBSQBIRWULU-LBPRGKRZSA-N -1 1 375.389 1.334 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000823619916 606718715 /nfs/dbraw/zinc/71/87/15/606718715.db2.gz CXIXBSQBIRWULU-LBPRGKRZSA-N -1 1 375.389 1.334 20 5 GDBDMM CN(Cc1cccc(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821613292 606731288 /nfs/dbraw/zinc/73/12/88/606731288.db2.gz HBESDWSPOSYXMA-UHFFFAOYSA-N -1 1 392.372 1.735 20 5 GDBDMM Cc1nn(-c2ccccc2)c(Cn2cc([N+](=O)[O-])c(C)cc2=O)c1-c1nn[n-]n1 ZINC000822160597 606785772 /nfs/dbraw/zinc/78/57/72/606785772.db2.gz IPOSSSVMOTZDGE-UHFFFAOYSA-N -1 1 392.379 1.787 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOC3(CCCC3)C2)c1-c1nn[n-]n1 ZINC000823646951 607006368 /nfs/dbraw/zinc/00/63/68/607006368.db2.gz DURJFKBIKWTMNT-UHFFFAOYSA-N -1 1 394.413 1.109 20 5 GDBDMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000823380392 607107637 /nfs/dbraw/zinc/10/76/37/607107637.db2.gz XAMBLSQMLXTJPZ-UHFFFAOYSA-N -1 1 384.337 1.738 20 5 GDBDMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000823380392 607107638 /nfs/dbraw/zinc/10/76/38/607107638.db2.gz XAMBLSQMLXTJPZ-UHFFFAOYSA-N -1 1 384.337 1.738 20 5 GDBDMM CN(Cc1nc2ccccc2c(=O)[nH]1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821617012 607162588 /nfs/dbraw/zinc/16/25/88/607162588.db2.gz SHNZLOAPPYHDPQ-UHFFFAOYSA-N -1 1 379.340 1.455 20 5 GDBDMM CN(Cc1nc2ccccc2c(=O)[nH]1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821617012 607162590 /nfs/dbraw/zinc/16/25/90/607162590.db2.gz SHNZLOAPPYHDPQ-UHFFFAOYSA-N -1 1 379.340 1.455 20 5 GDBDMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824641776 608426238 /nfs/dbraw/zinc/42/62/38/608426238.db2.gz YWQIYICZQVULFP-VIFPVBQESA-N -1 1 392.372 1.954 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]CCOc2ncccc2Cl)c([N+](=O)[O-])n1 ZINC000532855370 650036688 /nfs/dbraw/zinc/03/66/88/650036688.db2.gz RWIXKBVZYCDHDQ-UHFFFAOYSA-N -1 1 375.794 1.217 20 5 GDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000548044423 650529498 /nfs/dbraw/zinc/52/94/98/650529498.db2.gz JNNCHGQDPGZTDK-SKDRFNHKSA-N -1 1 383.348 1.752 20 5 GDBDMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000548222137 650537522 /nfs/dbraw/zinc/53/75/22/650537522.db2.gz KCAPDSQTCPMHAS-LLVKDONJSA-N -1 1 391.833 1.466 20 5 GDBDMM COC[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000219854826 645072413 /nfs/dbraw/zinc/07/24/13/645072413.db2.gz ZUXZOKOMCGZLQE-VIFPVBQESA-N -1 1 383.220 1.033 20 5 GDBDMM CS(=O)(=O)[N-]c1ccc(Oc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cn1 ZINC000439129513 646228224 /nfs/dbraw/zinc/22/82/24/646228224.db2.gz IKAZODGZZPRIDI-UHFFFAOYSA-N -1 1 387.395 1.557 20 5 GDBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(CS(C)(=O)=O)no1 ZINC000495475214 648013428 /nfs/dbraw/zinc/01/34/28/648013428.db2.gz VPPZWFIPOQNYJM-UHFFFAOYSA-N -1 1 386.411 1.309 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]CCc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])n1 ZINC000503791207 648196499 /nfs/dbraw/zinc/19/64/99/648196499.db2.gz MIOBDQJQKXXZHL-UHFFFAOYSA-N -1 1 378.332 1.750 20 5 GDBDMM CS(=O)(=O)[N-]c1ccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000577139140 651710325 /nfs/dbraw/zinc/71/03/25/651710325.db2.gz INRZJIVFVQGRDB-UHFFFAOYSA-N -1 1 387.395 1.557 20 5 GDBDMM COCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000589299757 652111532 /nfs/dbraw/zinc/11/15/32/652111532.db2.gz DOHKMMUIPBKARW-JTQLQIEISA-N -1 1 397.247 1.687 20 5 GDBDMM O=C([N-]N1CCCC1=O)c1cc([N+](=O)[O-])ccc1I ZINC000780702212 654791233 /nfs/dbraw/zinc/79/12/33/654791233.db2.gz MCOBBXTXSKFAAM-UHFFFAOYSA-N -1 1 375.122 1.467 20 5 GDBDMM O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@H](c2nn[n-]n2)C1 ZINC000751018661 654868701 /nfs/dbraw/zinc/86/87/01/654868701.db2.gz SBBOOIRLZBCSJV-JTQLQIEISA-N -1 1 383.162 1.084 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1OCCCO1 ZINC000788416968 654992826 /nfs/dbraw/zinc/99/28/26/654992826.db2.gz SNJLGJKXSUWOQW-UHFFFAOYSA-N -1 1 381.204 1.399 20 5 GDBDMM CCN1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1=O ZINC000832264516 655024844 /nfs/dbraw/zinc/02/48/44/655024844.db2.gz CCFMOGJRYBLVQE-ZETCQYMHSA-N -1 1 382.225 1.801 20 5 GDBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)NC ZINC000832746327 655050783 /nfs/dbraw/zinc/05/07/83/655050783.db2.gz SRZNDZDHDGIPOE-QMMMGPOBSA-N -1 1 380.220 1.160 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)Nc1cccnc1 ZINC000809813737 655137261 /nfs/dbraw/zinc/13/72/61/655137261.db2.gz NROTVZFMFINWIE-UHFFFAOYSA-N -1 1 388.764 1.699 20 5 GDBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000795206854 655166621 /nfs/dbraw/zinc/16/66/21/655166621.db2.gz ITIBVQOPSOKPFA-VIFPVBQESA-N -1 1 377.394 1.925 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H](CO)C1CC1 ZINC000795852435 655191027 /nfs/dbraw/zinc/19/10/27/655191027.db2.gz LTABQPQFLHKERP-SECBINFHSA-N -1 1 383.195 1.546 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)cc1Cl ZINC000798227101 655258506 /nfs/dbraw/zinc/25/85/06/655258506.db2.gz JOMKCPPEPNVQAK-ZDUSSCGKSA-N -1 1 382.797 1.455 20 5 GDBDMM CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815010436 655277649 /nfs/dbraw/zinc/27/76/49/655277649.db2.gz WLRRFUJPKXJRAW-UHFFFAOYSA-N -1 1 381.813 1.970 20 5 GDBDMM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034678 655281542 /nfs/dbraw/zinc/28/15/42/655281542.db2.gz YGLGOVHAJIDZIM-PWSUYJOCSA-N -1 1 382.797 1.860 20 5 GDBDMM CCCN1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000817140832 655343862 /nfs/dbraw/zinc/34/38/62/655343862.db2.gz FZAANAQHGMLVOD-JTQLQIEISA-N -1 1 375.834 1.785 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)[C@@H]2CCCOC2)c(Cl)cc1Cl ZINC000841560564 655347202 /nfs/dbraw/zinc/34/72/02/655347202.db2.gz PGICZHHUCPPOFG-KCJUWKMLSA-N -1 1 399.252 1.967 20 5 GDBDMM CC[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)OC ZINC000828049367 655518850 /nfs/dbraw/zinc/51/88/50/655518850.db2.gz SPAMBYZJIYPQSD-MRVPVSSYSA-N -1 1 395.231 1.835 20 5 GDBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c2ncnn21 ZINC000849424619 655533035 /nfs/dbraw/zinc/53/30/35/655533035.db2.gz WIZJKZWVELGSLA-HZGVNTEJSA-N -1 1 375.769 1.963 20 5 GDBDMM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000859343973 655777139 /nfs/dbraw/zinc/77/71/39/655777139.db2.gz MKTKBMUPHREYHA-ZCFIWIBFSA-N -1 1 387.197 1.104 20 5 GDBDMM C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001576165304 949565529 /nfs/dbraw/zinc/56/55/29/949565529.db2.gz JGEQZYZWCWLCIZ-ZWNOBZJWSA-N -1 1 380.430 1.974 20 5 GDBDMM C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001576165304 949565546 /nfs/dbraw/zinc/56/55/46/949565546.db2.gz JGEQZYZWCWLCIZ-ZWNOBZJWSA-N -1 1 380.430 1.974 20 5 GDBDMM CCO[C@H]1C[C@](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC000275768249 962841577 /nfs/dbraw/zinc/84/15/77/962841577.db2.gz SQFJYRCMBXEOMY-NHYWBVRUSA-N -1 1 390.389 1.671 20 5 GDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001594521360 985988742 /nfs/dbraw/zinc/98/87/42/985988742.db2.gz DYPGYSPTVMIEBB-CYBMUJFWSA-N -1 1 387.396 1.402 20 5 GDBDMM C[C@@]1(C2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC001593994092 997290302 /nfs/dbraw/zinc/29/03/02/997290302.db2.gz HNLCIOUUPDGAIO-KRWDZBQOSA-N -1 1 376.369 1.103 20 5 GDBDMM COc1ccc(CSCC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001599575882 998442037 /nfs/dbraw/zinc/44/20/37/998442037.db2.gz NYYLNFVRMJYCJY-ZDUSSCGKSA-N -1 1 397.453 1.311 20 5 GDBDMM CC(C)(CC(N)=O)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000186706994 530860079 /nfs/dbraw/zinc/86/00/79/530860079.db2.gz QRDQPGNMWAJJHC-UHFFFAOYSA-N -1 1 380.220 1.290 20 5 GDBDMM O=C1[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000112092852 530878134 /nfs/dbraw/zinc/87/81/34/530878134.db2.gz JWKDNMUXXXDPDS-MRVPVSSYSA-N -1 1 385.295 1.175 20 5 GDBDMM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C ZINC000276623702 531219093 /nfs/dbraw/zinc/21/90/93/531219093.db2.gz FLEOGZFQWCCEPP-DOMZBBRYSA-N -1 1 376.406 1.578 20 5 GDBDMM Cc1nnc2n1C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000265317706 531242460 /nfs/dbraw/zinc/24/24/60/531242460.db2.gz RLQSQLLBYBJVDL-JTQLQIEISA-N -1 1 385.833 1.689 20 5 GDBDMM COCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000292312604 531348138 /nfs/dbraw/zinc/34/81/38/531348138.db2.gz NJQYXCXNZYAILQ-UHFFFAOYSA-N -1 1 378.834 1.970 20 5 GDBDMM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000280165039 531477841 /nfs/dbraw/zinc/47/78/41/531477841.db2.gz GROYICGUTBNYET-UHFFFAOYSA-N -1 1 382.847 1.494 20 5 GDBDMM Cn1cc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cn1 ZINC000295160776 531530162 /nfs/dbraw/zinc/53/01/62/531530162.db2.gz FGPQLCIACJHDNI-JTQLQIEISA-N -1 1 395.224 1.647 20 5 GDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000558679355 531573919 /nfs/dbraw/zinc/57/39/19/531573919.db2.gz YFQNFVHTBNPULD-SNVBAGLBSA-N -1 1 383.817 1.595 20 5 GDBDMM CS(=O)(=O)CC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000451622687 531650459 /nfs/dbraw/zinc/65/04/59/531650459.db2.gz GOAISUASIDKERX-UHFFFAOYSA-N -1 1 382.485 1.538 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCN(CCCO)C2)cc1Cl ZINC000296108641 531655730 /nfs/dbraw/zinc/65/57/30/531655730.db2.gz GXHCABQJKGKXSD-SNVBAGLBSA-N -1 1 395.840 1.512 20 5 GDBDMM COC(=O)C1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC1 ZINC000269461822 531673953 /nfs/dbraw/zinc/67/39/53/531673953.db2.gz HEUZLFNLZVKFJS-UHFFFAOYSA-N -1 1 393.215 1.731 20 5 GDBDMM COC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000285079193 532028176 /nfs/dbraw/zinc/02/81/76/532028176.db2.gz JONCXSUYYXSQCD-YFKPBYRVSA-N -1 1 385.167 1.336 20 5 GDBDMM CN(C)c1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1C ZINC000285165884 532040791 /nfs/dbraw/zinc/04/07/91/532040791.db2.gz LXLZYMPYQRORKI-UHFFFAOYSA-N -1 1 391.812 1.665 20 5 GDBDMM CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000285299168 532064027 /nfs/dbraw/zinc/06/40/27/532064027.db2.gz ULGHYEPTTUFIBJ-NSHDSACASA-N -1 1 385.211 1.936 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1COC2(CCOCC2)O1 ZINC000272000576 532070166 /nfs/dbraw/zinc/07/01/66/532070166.db2.gz DGSBBZJSEWGYSR-LLVKDONJSA-N -1 1 392.817 1.449 20 5 GDBDMM Cc1c(Cl)cc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000327293023 532080410 /nfs/dbraw/zinc/08/04/10/532080410.db2.gz NNKRIHZHNJASNN-NSHDSACASA-N -1 1 388.789 1.254 20 5 GDBDMM C[C@H]1CN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CCO[C@@H](C)C3)c2)CCO1 ZINC000736288506 599361587 /nfs/dbraw/zinc/36/15/87/599361587.db2.gz IATRIZSPHOUMOD-RYUDHWBXSA-N -1 1 389.416 1.225 20 5 GDBDMM C[C@H]1CN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3CCO[C@@H](C)C3)c2)CCO1 ZINC000736288506 599361590 /nfs/dbraw/zinc/36/15/90/599361590.db2.gz IATRIZSPHOUMOD-RYUDHWBXSA-N -1 1 389.416 1.225 20 5 GDBDMM O=[N+]([O-])c1c(NC[C@H](O)C2CC2)cc(NC[C@H](O)C2CC2)cc1-c1nnn[n-]1 ZINC000823629886 599685392 /nfs/dbraw/zinc/68/53/92/599685392.db2.gz KRLSWWBBXCBBDJ-GJZGRUSLSA-N -1 1 389.416 1.141 20 5 GDBDMM O=[N+]([O-])c1c(NC[C@H](O)C2CC2)cc(NC[C@H](O)C2CC2)cc1-c1nn[n-]n1 ZINC000823629886 599685393 /nfs/dbraw/zinc/68/53/93/599685393.db2.gz KRLSWWBBXCBBDJ-GJZGRUSLSA-N -1 1 389.416 1.141 20 5 GDBDMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738168735 600192220 /nfs/dbraw/zinc/19/22/20/600192220.db2.gz VVQAHUVVPKVHNU-UHFFFAOYSA-N -1 1 379.350 1.917 20 5 GDBDMM CC(C)CN1CCO[C@H](CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826885978 601245681 /nfs/dbraw/zinc/24/56/81/601245681.db2.gz NMJMLIWYRCZXIP-GFCCVEGCSA-N -1 1 382.373 1.970 20 5 GDBDMM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000833306587 601411072 /nfs/dbraw/zinc/41/10/72/601411072.db2.gz CNIPCNUBFNIWKN-NSHDSACASA-N -1 1 380.357 1.360 20 5 GDBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1cccnc1 ZINC000824640790 607578330 /nfs/dbraw/zinc/57/83/30/607578330.db2.gz OZAMLKMQMWHZPZ-SECBINFHSA-N -1 1 375.370 1.209 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826500159 607579916 /nfs/dbraw/zinc/57/99/16/607579916.db2.gz NHPGFUPFJUVIAC-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000826500058 607579921 /nfs/dbraw/zinc/57/99/21/607579921.db2.gz JQDNWBGLUBJZAF-UHFFFAOYSA-N -1 1 383.292 1.821 20 5 GDBDMM Cc1cc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826271691 607580551 /nfs/dbraw/zinc/58/05/51/607580551.db2.gz CSOJDFVVVFORMV-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1cc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826271691 607580553 /nfs/dbraw/zinc/58/05/53/607580553.db2.gz CSOJDFVVVFORMV-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1cccc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000826297529 607602065 /nfs/dbraw/zinc/60/20/65/607602065.db2.gz KTOZYFMEOKRNSF-UHFFFAOYSA-N -1 1 388.409 1.604 20 5 GDBDMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000832516169 603135663 /nfs/dbraw/zinc/13/56/63/603135663.db2.gz UBFAOAHKPMCYCT-ONGXEEELSA-N -1 1 375.378 1.839 20 5 GDBDMM Cc1cccc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826304171 607676865 /nfs/dbraw/zinc/67/68/65/607676865.db2.gz ZYSSBCMIUHHAPP-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000820925972 606483723 /nfs/dbraw/zinc/48/37/23/606483723.db2.gz NVAOZBSXFRQIRV-CYBMUJFWSA-N -1 1 389.397 1.600 20 5 GDBDMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000820925972 606483726 /nfs/dbraw/zinc/48/37/26/606483726.db2.gz NVAOZBSXFRQIRV-CYBMUJFWSA-N -1 1 389.397 1.600 20 5 GDBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000823436194 606650095 /nfs/dbraw/zinc/65/00/95/606650095.db2.gz LQPKRQDTNGUBSA-UHFFFAOYSA-N -1 1 384.308 1.298 20 5 GDBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000823436194 606650096 /nfs/dbraw/zinc/65/00/96/606650096.db2.gz LQPKRQDTNGUBSA-UHFFFAOYSA-N -1 1 384.308 1.298 20 5 GDBDMM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000819940343 606706137 /nfs/dbraw/zinc/70/61/37/606706137.db2.gz XRBDWQKFMHDPRN-JTQLQIEISA-N -1 1 390.404 1.521 20 5 GDBDMM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000819940343 606706138 /nfs/dbraw/zinc/70/61/38/606706138.db2.gz XRBDWQKFMHDPRN-JTQLQIEISA-N -1 1 390.404 1.521 20 5 GDBDMM O=C(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000823013974 606707570 /nfs/dbraw/zinc/70/75/70/606707570.db2.gz DOMYLGMIFLHQOE-UHFFFAOYSA-N -1 1 380.368 1.167 20 5 GDBDMM O=C(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000823013974 606707572 /nfs/dbraw/zinc/70/75/72/606707572.db2.gz DOMYLGMIFLHQOE-UHFFFAOYSA-N -1 1 380.368 1.167 20 5 GDBDMM CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000819933300 606709330 /nfs/dbraw/zinc/70/93/30/606709330.db2.gz MTOWSJUWWUGRDE-SNVBAGLBSA-N -1 1 390.404 1.981 20 5 GDBDMM CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000819933300 606709332 /nfs/dbraw/zinc/70/93/32/606709332.db2.gz MTOWSJUWWUGRDE-SNVBAGLBSA-N -1 1 390.404 1.981 20 5 GDBDMM COC(=O)c1ccc(OCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821669703 606709684 /nfs/dbraw/zinc/70/96/84/606709684.db2.gz YSXKJAMGNXGIOU-UHFFFAOYSA-N -1 1 385.340 1.447 20 5 GDBDMM COC(=O)c1ccc(OCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821669703 606709685 /nfs/dbraw/zinc/70/96/85/606709685.db2.gz YSXKJAMGNXGIOU-UHFFFAOYSA-N -1 1 385.340 1.447 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC(OCCCOc2ccccc2)C1 ZINC000823614520 606720122 /nfs/dbraw/zinc/72/01/22/606720122.db2.gz QDTWBUYYPMGKRY-UHFFFAOYSA-N -1 1 397.395 1.844 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC(OCCCOc2ccccc2)C1 ZINC000823614520 606720124 /nfs/dbraw/zinc/72/01/24/606720124.db2.gz QDTWBUYYPMGKRY-UHFFFAOYSA-N -1 1 397.395 1.844 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000823619829 606720151 /nfs/dbraw/zinc/72/01/51/606720151.db2.gz BTIQZAHCJDLNPX-VIFPVBQESA-N -1 1 387.791 1.909 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000823619829 606720153 /nfs/dbraw/zinc/72/01/53/606720153.db2.gz BTIQZAHCJDLNPX-VIFPVBQESA-N -1 1 387.791 1.909 20 5 GDBDMM CN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821611169 606731162 /nfs/dbraw/zinc/73/11/62/606731162.db2.gz UITLZYZBSLMZCW-UHFFFAOYSA-N -1 1 392.372 1.735 20 5 GDBDMM C[C@H](c1ccccn1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820570292 606732544 /nfs/dbraw/zinc/73/25/44/606732544.db2.gz GKVBBVAGZHWHIL-SNVBAGLBSA-N -1 1 389.397 1.552 20 5 GDBDMM CC(C)C[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820069308 606733768 /nfs/dbraw/zinc/73/37/68/606733768.db2.gz ZPNDGMNMPHKIFN-NSHDSACASA-N -1 1 396.429 1.211 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2C2CCC2)c1-c1nn[n-]n1 ZINC000823648418 606735772 /nfs/dbraw/zinc/73/57/72/606735772.db2.gz WTIKQXBODIQDSQ-LLVKDONJSA-N -1 1 378.414 1.728 20 5 GDBDMM CSC[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821961648 607144204 /nfs/dbraw/zinc/14/42/04/607144204.db2.gz LRCFOQGHAJLGEU-SECBINFHSA-N -1 1 384.443 1.291 20 5 GDBDMM O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826500232 607817376 /nfs/dbraw/zinc/81/73/76/607817376.db2.gz PDMFPBXKRHLPNA-UHFFFAOYSA-N -1 1 387.381 1.311 20 5 GDBDMM O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826500232 607817377 /nfs/dbraw/zinc/81/73/77/607817377.db2.gz PDMFPBXKRHLPNA-UHFFFAOYSA-N -1 1 387.381 1.311 20 5 GDBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826293294 608213495 /nfs/dbraw/zinc/21/34/95/608213495.db2.gz KECSMOSYSULLDI-UHFFFAOYSA-N -1 1 385.388 1.093 20 5 GDBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826293294 608213496 /nfs/dbraw/zinc/21/34/96/608213496.db2.gz KECSMOSYSULLDI-UHFFFAOYSA-N -1 1 385.388 1.093 20 5 GDBDMM Cc1c([C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(=O)[O-])cnn1C ZINC000530436013 649975612 /nfs/dbraw/zinc/97/56/12/649975612.db2.gz NYYAWNQKZLKUAF-NSHDSACASA-N -1 1 388.789 1.394 20 5 GDBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCOCC1 ZINC000536157854 650266054 /nfs/dbraw/zinc/26/60/54/650266054.db2.gz MDYVBWCAGHGLEE-LBPRGKRZSA-N -1 1 378.428 1.293 20 5 GDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[S@@](=O)Cc1ccccc1 ZINC000109839070 644623369 /nfs/dbraw/zinc/62/33/69/644623369.db2.gz URWDFOAQAKIODN-DEOSSOPVSA-N -1 1 386.426 1.961 20 5 GDBDMM Cc1nc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)no1 ZINC000120945214 644675670 /nfs/dbraw/zinc/67/56/70/644675670.db2.gz CXNODGRSXYPRJP-UHFFFAOYSA-N -1 1 377.176 1.527 20 5 GDBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C(=O)O1 ZINC000917866083 660223160 /nfs/dbraw/zinc/22/31/60/660223160.db2.gz KEOIHFDZWIXVEY-XPUUQOCRSA-N -1 1 379.188 1.340 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000919979974 660260906 /nfs/dbraw/zinc/26/09/06/660260906.db2.gz AQGQBKHDZTYWSP-RNCFNFMXSA-N -1 1 394.856 1.300 20 5 GDBDMM CSC[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443255249 647195235 /nfs/dbraw/zinc/19/52/35/647195235.db2.gz WGKRUSXNHLCWPF-SECBINFHSA-N -1 1 399.288 1.750 20 5 GDBDMM CCn1cc(Br)c(=O)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445151757 647266172 /nfs/dbraw/zinc/26/61/72/647266172.db2.gz UEXNLOODCFXLTC-UHFFFAOYSA-N -1 1 383.158 1.892 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000588144773 652097025 /nfs/dbraw/zinc/09/70/25/652097025.db2.gz UUCNNXPSCGRADG-LLVKDONJSA-N -1 1 388.833 1.519 20 5 GDBDMM CCOC(=O)CSc1nnc([N-]C(=O)c2ccnc(N)c2[N+](=O)[O-])s1 ZINC000594244183 652275458 /nfs/dbraw/zinc/27/54/58/652275458.db2.gz GNXMAHFDAMVTKE-UHFFFAOYSA-N -1 1 384.399 1.331 20 5 GDBDMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000594817304 652372375 /nfs/dbraw/zinc/37/23/75/652372375.db2.gz QHAQOXMKFHECPQ-WDEREUQCSA-N -1 1 377.850 1.636 20 5 GDBDMM CCOC(=O)C(F)(F)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000829915159 654918515 /nfs/dbraw/zinc/91/85/15/654918515.db2.gz BMKLQCVDPFDXEQ-GFCCVEGCSA-N -1 1 378.353 1.850 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCn2ccnc21 ZINC000831737601 654995180 /nfs/dbraw/zinc/99/51/80/654995180.db2.gz GFIHLMCNECCVEX-VIFPVBQESA-N -1 1 387.215 1.977 20 5 GDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000795938213 655196795 /nfs/dbraw/zinc/19/67/95/655196795.db2.gz SOCXAENWBVDODS-MNOVXSKESA-N -1 1 397.222 1.934 20 5 GDBDMM Cc1nnsc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000813753202 655245482 /nfs/dbraw/zinc/24/54/82/655245482.db2.gz WEQOEKGVVBNDRA-UHFFFAOYSA-N -1 1 393.244 1.996 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCO[C@@H]1CCOC1 ZINC000815026837 655280036 /nfs/dbraw/zinc/28/00/36/655280036.db2.gz VYLSVKYHPMIQGJ-SECBINFHSA-N -1 1 382.797 1.861 20 5 GDBDMM O=C1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCN1 ZINC000841563031 655347887 /nfs/dbraw/zinc/34/78/87/655347887.db2.gz NNACFPOJXCXTSA-ZETCQYMHSA-N -1 1 382.225 1.849 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ncc2c(n1)CCOC2 ZINC000845968951 655440740 /nfs/dbraw/zinc/44/07/40/655440740.db2.gz XZTMMACBKGXAFX-UHFFFAOYSA-N -1 1 384.801 1.589 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c(Cl)cc1Cl ZINC000845987315 655442087 /nfs/dbraw/zinc/44/20/87/655442087.db2.gz WTDKNLNWNDCFFT-GFCCVEGCSA-N -1 1 385.225 1.721 20 5 GDBDMM Cn1cnc(CCC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000827924444 655517836 /nfs/dbraw/zinc/51/78/36/655517836.db2.gz DWUGSDLODVLJIM-UHFFFAOYSA-N -1 1 377.785 1.427 20 5 GDBDMM CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)OC ZINC000828049368 655518843 /nfs/dbraw/zinc/51/88/43/655518843.db2.gz SPAMBYZJIYPQSD-QMMMGPOBSA-N -1 1 395.231 1.835 20 5 GDBDMM O=C([N-]S(=O)(=O)Cc1cc(F)ccc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC000851200218 655579215 /nfs/dbraw/zinc/57/92/15/655579215.db2.gz WSVCAFPAUUMNKU-PSASIEDQSA-N -1 1 381.179 1.199 20 5 GDBDMM C[C@@H]1[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCS1(=O)=O ZINC000859339272 655776536 /nfs/dbraw/zinc/77/65/36/655776536.db2.gz GRUDXTGCLBJCJC-HZGVNTEJSA-N -1 1 386.810 1.241 20 5 GDBDMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000859408282 655781868 /nfs/dbraw/zinc/78/18/68/655781868.db2.gz OTOCIEVFHNIQGU-LJGSYFOKSA-N -1 1 383.195 1.952 20 5 GDBDMM CC(C)(C)OC(=O)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000819933201 945313893 /nfs/dbraw/zinc/31/38/93/945313893.db2.gz JQGYWBFZSKQKQH-UHFFFAOYSA-N -1 1 376.377 1.227 20 5 GDBDMM CC(C)(C)OC(=O)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000819933201 945313905 /nfs/dbraw/zinc/31/39/05/945313905.db2.gz JQGYWBFZSKQKQH-UHFFFAOYSA-N -1 1 376.377 1.227 20 5 GDBDMM Cc1onc(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826347330 948054445 /nfs/dbraw/zinc/05/44/45/948054445.db2.gz NPUFBAXTCLKWEY-UHFFFAOYSA-N -1 1 385.384 1.753 20 5 GDBDMM Cc1onc(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826347330 948054452 /nfs/dbraw/zinc/05/44/52/948054452.db2.gz NPUFBAXTCLKWEY-UHFFFAOYSA-N -1 1 385.384 1.753 20 5 GDBDMM COc1ccc(OCCN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c([N+](=O)[O-])c1 ZINC000567509710 974637147 /nfs/dbraw/zinc/63/71/47/974637147.db2.gz MUQYVVSKSCEMGK-LBPRGKRZSA-N -1 1 391.384 1.609 20 5 GDBDMM CN1CCN(c2ccc(CNc3ccc(CC(=O)[O-])cc3[N+](=O)[O-])cn2)CC1 ZINC000592967931 974977236 /nfs/dbraw/zinc/97/72/36/974977236.db2.gz TZCWAZGKCMUYAY-UHFFFAOYSA-N -1 1 385.424 1.981 20 5 GDBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC001592415960 978015870 /nfs/dbraw/zinc/01/58/70/978015870.db2.gz VQZVZRPPOZZLKG-LBPRGKRZSA-N -1 1 387.396 1.606 20 5 GDBDMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC001589627889 987525739 /nfs/dbraw/zinc/52/57/39/987525739.db2.gz SNTYVJOUSRQBRQ-UHFFFAOYSA-N -1 1 387.339 1.817 20 5 GDBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccoc3CC(=O)[O-])c2)CC1 ZINC001598624295 994060823 /nfs/dbraw/zinc/06/08/23/994060823.db2.gz JJAVFVKPFGZXEQ-UHFFFAOYSA-N -1 1 388.380 1.819 20 5 GDBDMM COc1ccc(CSCC(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001599575881 998442071 /nfs/dbraw/zinc/44/20/71/998442071.db2.gz NYYLNFVRMJYCJY-CYBMUJFWSA-N -1 1 397.453 1.311 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1(O)CCCC1 ZINC000158337189 530531812 /nfs/dbraw/zinc/53/18/12/530531812.db2.gz WTUAYGDPXWRBJC-UHFFFAOYSA-N -1 1 379.232 1.941 20 5 GDBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(CS(N)(=O)=O)cc1 ZINC000045939484 530647967 /nfs/dbraw/zinc/64/79/67/530647967.db2.gz QKKQINOQYQDYJH-UHFFFAOYSA-N -1 1 385.423 1.493 20 5 GDBDMM O=C1[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCN1CC(F)(F)F ZINC000120929083 530947984 /nfs/dbraw/zinc/94/79/84/530947984.db2.gz ZGYBUSUKXHADCJ-SSDOTTSWSA-N -1 1 387.361 1.488 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ncnn1C ZINC000276647129 531219661 /nfs/dbraw/zinc/21/96/61/531219661.db2.gz HZPYZVNPRMGMRT-ZETCQYMHSA-N -1 1 390.219 1.525 20 5 GDBDMM CN1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCC1=O ZINC000290636219 531245542 /nfs/dbraw/zinc/24/55/42/531245542.db2.gz DCYZLDRZDLYLPX-SSDOTTSWSA-N -1 1 382.225 1.801 20 5 GDBDMM COCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290791289 531257115 /nfs/dbraw/zinc/25/71/15/531257115.db2.gz QKBXZHVNBYKLGL-GFCCVEGCSA-N -1 1 387.241 1.967 20 5 GDBDMM COC(=O)c1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000438713220 531307908 /nfs/dbraw/zinc/30/79/08/531307908.db2.gz GDZHARZWYYCDEM-UHFFFAOYSA-N -1 1 386.363 1.942 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H](CO)[C@@H]1CCCO1 ZINC000447928344 531441529 /nfs/dbraw/zinc/44/15/29/531441529.db2.gz HEPUNMSJJITABW-ONGXEEELSA-N -1 1 395.231 1.176 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCN2CCOCC2)cc1Cl ZINC000281229128 531595664 /nfs/dbraw/zinc/59/56/64/531595664.db2.gz RXNOREKKVLOVLA-UHFFFAOYSA-N -1 1 381.813 1.388 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1O ZINC000269242640 531629175 /nfs/dbraw/zinc/62/91/75/531629175.db2.gz BUXJAJFTMZWTJY-KCJUWKMLSA-N -1 1 379.232 1.797 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)[C@H]2CCOC2)c1Cl ZINC000296097123 531653868 /nfs/dbraw/zinc/65/38/68/531653868.db2.gz HRTZZPFXJUIFKN-IUCAKERBSA-N -1 1 399.252 1.825 20 5 GDBDMM COC(=O)[C@]1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOC1 ZINC000296317329 531681105 /nfs/dbraw/zinc/68/11/05/531681105.db2.gz ONGYOTWLSXANMB-LBPRGKRZSA-N -1 1 399.208 1.512 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000599216469 532013591 /nfs/dbraw/zinc/01/35/91/532013591.db2.gz QNWPUIZZWVDLPX-QMMMGPOBSA-N -1 1 376.341 1.969 20 5 GDBDMM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000286110147 532131956 /nfs/dbraw/zinc/13/19/56/532131956.db2.gz VETYGWODMLFLLA-SECBINFHSA-N -1 1 385.211 1.792 20 5 GDBDMM C[C@H](CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nn[n-]n1 ZINC000274773938 532232335 /nfs/dbraw/zinc/23/23/35/532232335.db2.gz MRWHLSGFDUJDFR-ZCFIWIBFSA-N -1 1 387.169 1.885 20 5 GDBDMM O=C([O-])[C@@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000275370539 532290588 /nfs/dbraw/zinc/29/05/88/532290588.db2.gz YOMUZBNRGNBMBI-ZCFIWIBFSA-N -1 1 376.696 1.932 20 5 GDBDMM O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000603778508 597025821 /nfs/dbraw/zinc/02/58/21/597025821.db2.gz CFBZVASZBPGSAI-UHFFFAOYSA-N -1 1 379.350 1.210 20 5 GDBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cn1 ZINC000738368311 598573865 /nfs/dbraw/zinc/57/38/65/598573865.db2.gz BZODISMNLKYWPO-UHFFFAOYSA-N -1 1 387.791 1.545 20 5 GDBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cn1 ZINC000738368311 598573867 /nfs/dbraw/zinc/57/38/67/598573867.db2.gz BZODISMNLKYWPO-UHFFFAOYSA-N -1 1 387.791 1.545 20 5 GDBDMM O=C([O-])c1ccc(OCCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000740167774 599940359 /nfs/dbraw/zinc/94/03/59/599940359.db2.gz HVLVCGKHCPUQHN-UHFFFAOYSA-N -1 1 384.341 1.789 20 5 GDBDMM O=C([O-])c1cc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc([N+](=O)[O-])c1 ZINC000739248115 600186934 /nfs/dbraw/zinc/18/69/34/600186934.db2.gz AALLGVDFMYVIRW-UHFFFAOYSA-N -1 1 397.347 1.928 20 5 GDBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000824658638 607450157 /nfs/dbraw/zinc/45/01/57/607450157.db2.gz ZCHARPGCRUROHL-SECBINFHSA-N -1 1 389.397 1.595 20 5 GDBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000824658638 607450158 /nfs/dbraw/zinc/45/01/58/607450158.db2.gz ZCHARPGCRUROHL-SECBINFHSA-N -1 1 389.397 1.595 20 5 GDBDMM C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824843278 607543516 /nfs/dbraw/zinc/54/35/16/607543516.db2.gz CIIJGDZRZVZDSB-QGZVFWFLSA-N -1 1 394.351 1.137 20 5 GDBDMM C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824843278 607543517 /nfs/dbraw/zinc/54/35/17/607543517.db2.gz CIIJGDZRZVZDSB-QGZVFWFLSA-N -1 1 394.351 1.137 20 5 GDBDMM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826500980 607591360 /nfs/dbraw/zinc/59/13/60/607591360.db2.gz UKJOWMJNTGGQPG-UHFFFAOYSA-N -1 1 378.345 1.393 20 5 GDBDMM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826500980 607591361 /nfs/dbraw/zinc/59/13/61/607591361.db2.gz UKJOWMJNTGGQPG-UHFFFAOYSA-N -1 1 378.345 1.393 20 5 GDBDMM Cc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1 ZINC000826288542 607590996 /nfs/dbraw/zinc/59/09/96/607590996.db2.gz LXBUNYOEQRLVEI-UHFFFAOYSA-N -1 1 380.411 1.623 20 5 GDBDMM CC(C)N(Cc1ccco1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824297090 607599866 /nfs/dbraw/zinc/59/98/66/607599866.db2.gz PWKPNIKTHKEFIG-UHFFFAOYSA-N -1 1 392.397 1.967 20 5 GDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000826357315 607620234 /nfs/dbraw/zinc/62/02/34/607620234.db2.gz ZYOQUZKSIPLAAC-UHFFFAOYSA-N -1 1 383.372 1.705 20 5 GDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000826357315 607620235 /nfs/dbraw/zinc/62/02/35/607620235.db2.gz ZYOQUZKSIPLAAC-UHFFFAOYSA-N -1 1 383.372 1.705 20 5 GDBDMM Cc1cccc(F)c1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826298425 607651082 /nfs/dbraw/zinc/65/10/82/607651082.db2.gz RRKFFZPAXAJPBV-UHFFFAOYSA-N -1 1 392.372 1.701 20 5 GDBDMM CS(=O)(=O)Cc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821926229 606700203 /nfs/dbraw/zinc/70/02/03/606700203.db2.gz CDRPBQRPCDOBLG-UHFFFAOYSA-N -1 1 389.397 1.327 20 5 GDBDMM CS(=O)(=O)Cc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821926229 606700205 /nfs/dbraw/zinc/70/02/05/606700205.db2.gz CDRPBQRPCDOBLG-UHFFFAOYSA-N -1 1 389.397 1.327 20 5 GDBDMM CCN(CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000821213876 606706269 /nfs/dbraw/zinc/70/62/69/606706269.db2.gz FQLXLRDJANTFML-UHFFFAOYSA-N -1 1 378.393 1.839 20 5 GDBDMM CCN(CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000821213876 606706271 /nfs/dbraw/zinc/70/62/71/606706271.db2.gz FQLXLRDJANTFML-UHFFFAOYSA-N -1 1 378.393 1.839 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(N2CCOCC2)c(F)c1 ZINC000823624788 606707160 /nfs/dbraw/zinc/70/71/60/606707160.db2.gz JLSVFUWNMSOMMI-UHFFFAOYSA-N -1 1 386.347 1.889 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(N2CCOCC2)c(F)c1 ZINC000823624788 606707161 /nfs/dbraw/zinc/70/71/61/606707161.db2.gz JLSVFUWNMSOMMI-UHFFFAOYSA-N -1 1 386.347 1.889 20 5 GDBDMM COC(=O)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000821640422 606710179 /nfs/dbraw/zinc/71/01/79/606710179.db2.gz IBMWIORPAIQLJP-LLVKDONJSA-N -1 1 399.367 1.319 20 5 GDBDMM COC(=O)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000821640422 606710180 /nfs/dbraw/zinc/71/01/80/606710180.db2.gz IBMWIORPAIQLJP-LLVKDONJSA-N -1 1 399.367 1.319 20 5 GDBDMM CCO[C@H](C)c1noc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000821347251 606713296 /nfs/dbraw/zinc/71/32/96/606713296.db2.gz UXEVNTSKUKFWDS-MRVPVSSYSA-N -1 1 375.349 1.287 20 5 GDBDMM CCO[C@H](C)c1noc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000821347251 606713297 /nfs/dbraw/zinc/71/32/97/606713297.db2.gz UXEVNTSKUKFWDS-MRVPVSSYSA-N -1 1 375.349 1.287 20 5 GDBDMM CCOC(=O)c1sc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nc1C ZINC000821346239 606716837 /nfs/dbraw/zinc/71/68/37/606716837.db2.gz FDXHJPSCISVSQR-UHFFFAOYSA-N -1 1 390.385 1.724 20 5 GDBDMM CCOC(=O)c1sc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc1C ZINC000821346239 606716838 /nfs/dbraw/zinc/71/68/38/606716838.db2.gz FDXHJPSCISVSQR-UHFFFAOYSA-N -1 1 390.385 1.724 20 5 GDBDMM COC1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000821679671 606734780 /nfs/dbraw/zinc/73/47/80/606734780.db2.gz HPDYKHLSXSTAKS-UHFFFAOYSA-N -1 1 396.429 1.353 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC000823646955 606735747 /nfs/dbraw/zinc/73/57/47/606735747.db2.gz DVDZKSSBQQPLHZ-QWRGUYRKSA-N -1 1 378.414 1.728 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000823624924 607163059 /nfs/dbraw/zinc/16/30/59/607163059.db2.gz KZNSSPUGRMGSJW-AWEZNQCLSA-N -1 1 396.411 1.483 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000823624924 607163061 /nfs/dbraw/zinc/16/30/61/607163061.db2.gz KZNSSPUGRMGSJW-AWEZNQCLSA-N -1 1 396.411 1.483 20 5 GDBDMM COc1ccc(OC)c([C@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821841199 607167268 /nfs/dbraw/zinc/16/72/68/607167268.db2.gz GGRVZFKXXDYLOU-GFCCVEGCSA-N -1 1 387.356 1.333 20 5 GDBDMM COc1ccc(OC)c([C@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821841199 607167269 /nfs/dbraw/zinc/16/72/69/607167269.db2.gz GGRVZFKXXDYLOU-GFCCVEGCSA-N -1 1 387.356 1.333 20 5 GDBDMM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824010904 607971591 /nfs/dbraw/zinc/97/15/91/607971591.db2.gz UEOUGUUCDIGPAX-UHFFFAOYSA-N -1 1 390.337 1.140 20 5 GDBDMM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824010904 607971592 /nfs/dbraw/zinc/97/15/92/607971592.db2.gz UEOUGUUCDIGPAX-UHFFFAOYSA-N -1 1 390.337 1.140 20 5 GDBDMM C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC12CCC2 ZINC000824962312 608155478 /nfs/dbraw/zinc/15/54/78/608155478.db2.gz SGWFAPYCEJMVCO-NSHDSACASA-N -1 1 392.441 1.976 20 5 GDBDMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824640678 608425976 /nfs/dbraw/zinc/42/59/76/608425976.db2.gz NIVZYYHMWBATLC-SECBINFHSA-N -1 1 392.372 1.954 20 5 GDBDMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824640678 608425977 /nfs/dbraw/zinc/42/59/77/608425977.db2.gz NIVZYYHMWBATLC-SECBINFHSA-N -1 1 392.372 1.954 20 5 GDBDMM Cc1c(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826235375 608558487 /nfs/dbraw/zinc/55/84/87/608558487.db2.gz IRHCGPVTGHGTLD-UHFFFAOYSA-N -1 1 399.415 1.022 20 5 GDBDMM Cc1c(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826235375 608558488 /nfs/dbraw/zinc/55/84/88/608558488.db2.gz IRHCGPVTGHGTLD-UHFFFAOYSA-N -1 1 399.415 1.022 20 5 GDBDMM O=C(NCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])NC1CCCCC1 ZINC000826438249 608585190 /nfs/dbraw/zinc/58/51/90/608585190.db2.gz UWKJLXSYKQTLNU-UHFFFAOYSA-N -1 1 375.393 1.214 20 5 GDBDMM O=C(NCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])NC1CCCCC1 ZINC000826438249 608585191 /nfs/dbraw/zinc/58/51/91/608585191.db2.gz UWKJLXSYKQTLNU-UHFFFAOYSA-N -1 1 375.393 1.214 20 5 GDBDMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc([N+](=O)[O-])o1 ZINC000826458440 609291824 /nfs/dbraw/zinc/29/18/24/609291824.db2.gz PZMXAIULOSAJPL-UHFFFAOYSA-N -1 1 384.287 1.945 20 5 GDBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824640471 609398351 /nfs/dbraw/zinc/39/83/51/609398351.db2.gz JGRFIOOZTFKRNO-QMMMGPOBSA-N -1 1 393.360 1.349 20 5 GDBDMM COc1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1[N+](=O)[O-] ZINC000826210215 609455024 /nfs/dbraw/zinc/45/50/24/609455024.db2.gz JCPXPPHGRBVKMG-UHFFFAOYSA-N -1 1 390.381 1.893 20 5 GDBDMM COC(=O)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826117490 609621390 /nfs/dbraw/zinc/62/13/90/609621390.db2.gz MIDGVIJMDIQSGU-CQSZACIVSA-N -1 1 399.319 1.552 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc(OC(F)F)c2)c([N+](=O)[O-])n1 ZINC000532858865 650037255 /nfs/dbraw/zinc/03/72/55/650037255.db2.gz BJAMQZAWJZUIIS-UHFFFAOYSA-N -1 1 376.341 1.891 20 5 GDBDMM O=c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n[nH]1 ZINC000227884180 645075854 /nfs/dbraw/zinc/07/58/54/645075854.db2.gz QWEFEKUFQNZZNS-UHFFFAOYSA-N -1 1 375.160 1.241 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2N2CCOCC2)s1 ZINC000370565270 645694252 /nfs/dbraw/zinc/69/42/52/645694252.db2.gz IIWXFIQJTVRCCO-NWDGAFQWSA-N -1 1 375.472 1.578 20 5 GDBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C(=O)O1 ZINC000917866080 660223142 /nfs/dbraw/zinc/22/31/42/660223142.db2.gz KEOIHFDZWIXVEY-HTRCEHHLSA-N -1 1 379.188 1.340 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ncc2c(n1)CCOC2 ZINC000593626556 652226471 /nfs/dbraw/zinc/22/64/71/652226471.db2.gz FDSOLKVREDEXMZ-UHFFFAOYSA-N -1 1 384.801 1.589 20 5 GDBDMM Cc1cccc(C)c1OC[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000611020400 652902546 /nfs/dbraw/zinc/90/25/46/652902546.db2.gz OMBVESKHSFVKFR-GFCCVEGCSA-N -1 1 386.451 1.991 20 5 GDBDMM CO[C@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000733320208 654506562 /nfs/dbraw/zinc/50/65/62/654506562.db2.gz GOJOZYAAYICYGX-LLVKDONJSA-N -1 1 386.304 1.222 20 5 GDBDMM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000734500408 654535913 /nfs/dbraw/zinc/53/59/13/654535913.db2.gz MCWQWTBWZLJWEU-UHFFFAOYSA-N -1 1 395.231 1.977 20 5 GDBDMM CCOC(=O)C(F)(F)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000829915183 654918431 /nfs/dbraw/zinc/91/84/31/654918431.db2.gz BMKLQCVDPFDXEQ-LBPRGKRZSA-N -1 1 378.353 1.850 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H]1CN(C)CCO1 ZINC000830908115 654962523 /nfs/dbraw/zinc/96/25/23/654962523.db2.gz BQRKOIRFFCUDIE-LDYMZIIASA-N -1 1 398.268 1.899 20 5 GDBDMM Cc1ncsc1[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000787318443 654963389 /nfs/dbraw/zinc/96/33/89/654963389.db2.gz FCNUTSGDAQWQTE-SECBINFHSA-N -1 1 375.359 1.603 20 5 GDBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831162547 654974616 /nfs/dbraw/zinc/97/46/16/654974616.db2.gz QECRTVWXFMKNDU-UHFFFAOYSA-N -1 1 377.344 1.824 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])n1 ZINC000754807492 654980589 /nfs/dbraw/zinc/98/05/89/654980589.db2.gz CVBJIFXYXZPPEL-UHFFFAOYSA-N -1 1 389.777 1.851 20 5 GDBDMM CC(C)N1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1=O ZINC000809813703 655137171 /nfs/dbraw/zinc/13/71/71/655137171.db2.gz MIYUWWIBPAZQST-QMMMGPOBSA-N -1 1 379.797 1.675 20 5 GDBDMM Cc1nnsc1C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000813753112 655245471 /nfs/dbraw/zinc/24/54/71/655245471.db2.gz TWEJERBSROGKOS-UHFFFAOYSA-N -1 1 393.244 1.996 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOC[C@H]1CCCO1 ZINC000815012378 655277853 /nfs/dbraw/zinc/27/78/53/655277853.db2.gz CQRIGXQIIJZFNB-SECBINFHSA-N -1 1 382.797 1.861 20 5 GDBDMM C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024307 655279560 /nfs/dbraw/zinc/27/95/60/655279560.db2.gz YKCVKJAKASOBPD-BDAKNGLRSA-N -1 1 382.797 1.860 20 5 GDBDMM COC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC ZINC000815026373 655279807 /nfs/dbraw/zinc/27/98/07/655279807.db2.gz QFNQBFDWJBEXNQ-GFCCVEGCSA-N -1 1 384.769 1.244 20 5 GDBDMM COC(=O)[C@@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCSC1 ZINC000815027732 655280362 /nfs/dbraw/zinc/28/03/62/655280362.db2.gz XCEYOSHBJDRQJM-GFCCVEGCSA-N -1 1 398.821 1.714 20 5 GDBDMM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000841566409 655348727 /nfs/dbraw/zinc/34/87/27/655348727.db2.gz JAIPIJLAHRHISR-UHFFFAOYSA-N -1 1 388.826 1.490 20 5 GDBDMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000817918331 655362516 /nfs/dbraw/zinc/36/25/16/655362516.db2.gz YTSDVDWKPHDIAH-UHFFFAOYSA-N -1 1 375.746 1.916 20 5 GDBDMM COC(=O)N(C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000849471009 655541605 /nfs/dbraw/zinc/54/16/05/655541605.db2.gz ZOJFUUKYUMQXQG-UHFFFAOYSA-N -1 1 386.213 1.878 20 5 GDBDMM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001574649139 962413171 /nfs/dbraw/zinc/41/31/71/962413171.db2.gz XNLJJLTVVQPLRM-PWSUYJOCSA-N -1 1 393.293 1.830 20 5 GDBDMM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001574649139 962413182 /nfs/dbraw/zinc/41/31/82/962413182.db2.gz XNLJJLTVVQPLRM-PWSUYJOCSA-N -1 1 393.293 1.830 20 5 GDBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(CCN3CCOCC3)CC2)n1 ZINC000569609428 974695617 /nfs/dbraw/zinc/69/56/17/974695617.db2.gz ZKMRLAHJFPDAHE-UHFFFAOYSA-N -1 1 378.429 1.935 20 5 GDBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000600867983 975007565 /nfs/dbraw/zinc/00/75/65/975007565.db2.gz DXNSCPUJYCKUOQ-ZDUSSCGKSA-N -1 1 387.396 1.402 20 5 GDBDMM CN1CCC2(CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC001598591195 993435341 /nfs/dbraw/zinc/43/53/41/993435341.db2.gz AWFBWFDIPFYOEC-UHFFFAOYSA-N -1 1 383.426 1.542 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])NCC1CC1 ZINC000179910710 530753037 /nfs/dbraw/zinc/75/30/37/530753037.db2.gz GTMHEYXSCFTNLG-UHFFFAOYSA-N -1 1 392.231 1.162 20 5 GDBDMM O=C(NCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000111346774 530873551 /nfs/dbraw/zinc/87/35/51/530873551.db2.gz CRUNYEYFMFCYBR-UHFFFAOYSA-N -1 1 387.414 1.894 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCOCC(F)F ZINC000190961150 530940766 /nfs/dbraw/zinc/94/07/66/530940766.db2.gz ZOEFIZZXFWXLEZ-UHFFFAOYSA-N -1 1 389.174 1.917 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000151084370 531133643 /nfs/dbraw/zinc/13/36/43/531133643.db2.gz IRHNQQWJKPFHCP-KKZNHRDASA-N -1 1 377.216 1.956 20 5 GDBDMM Cc1nnc2n1C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000265327326 531243758 /nfs/dbraw/zinc/24/37/58/531243758.db2.gz UYBCKCOKOBCHNS-JTQLQIEISA-N -1 1 385.833 1.689 20 5 GDBDMM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290784924 531255787 /nfs/dbraw/zinc/25/57/87/531255787.db2.gz PUFGCUPAOXOZGP-SSDOTTSWSA-N -1 1 388.826 1.489 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H](O)C(F)F ZINC000435642375 531266929 /nfs/dbraw/zinc/26/69/29/531266929.db2.gz UGSNJIUGNNEBQQ-ZETCQYMHSA-N -1 1 375.147 1.262 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCOC1 ZINC000277781586 531310757 /nfs/dbraw/zinc/31/07/57/531310757.db2.gz MJPPMKDNKNOAMG-ZETCQYMHSA-N -1 1 383.195 1.811 20 5 GDBDMM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)OC ZINC000291971744 531325585 /nfs/dbraw/zinc/32/55/85/531325585.db2.gz QQSNSTVOELYRES-VIFPVBQESA-N -1 1 387.197 1.368 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350896879 531429574 /nfs/dbraw/zinc/42/95/74/531429574.db2.gz FMWJQFYVKQUHBG-ZETCQYMHSA-N -1 1 384.399 1.479 20 5 GDBDMM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000487139868 531469670 /nfs/dbraw/zinc/46/96/70/531469670.db2.gz WLOQTCINLCVOOU-ZDUSSCGKSA-N -1 1 380.806 1.495 20 5 GDBDMM CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000280240331 531482855 /nfs/dbraw/zinc/48/28/55/531482855.db2.gz MLGAGQUSERHHIT-NSHDSACASA-N -1 1 375.834 1.785 20 5 GDBDMM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000268514069 531527667 /nfs/dbraw/zinc/52/76/67/531527667.db2.gz SEMLFAGRXYPTHH-SECBINFHSA-N -1 1 376.822 1.330 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])n1 ZINC000611107776 531528621 /nfs/dbraw/zinc/52/86/21/531528621.db2.gz JTQHHCCITHEZOW-LLVKDONJSA-N -1 1 390.487 1.534 20 5 GDBDMM C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295173823 531533989 /nfs/dbraw/zinc/53/39/89/531533989.db2.gz QMCHKYVFTYHKIX-SVPXGXJHSA-N -1 1 375.255 1.947 20 5 GDBDMM C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295186850 531535271 /nfs/dbraw/zinc/53/52/71/531535271.db2.gz QNUVRLMYJLAPOI-LURJTMIESA-N -1 1 391.254 1.613 20 5 GDBDMM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000451660166 531657672 /nfs/dbraw/zinc/65/76/72/531657672.db2.gz PPUMUQINHMMSEM-LBPRGKRZSA-N -1 1 397.247 1.423 20 5 GDBDMM CC(C)(CN1CCOCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416609715 531704733 /nfs/dbraw/zinc/70/47/33/531704733.db2.gz NHRCZOZPLLLLOJ-UHFFFAOYSA-N -1 1 377.850 1.637 20 5 GDBDMM O=C([O-])C1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000619709020 531714610 /nfs/dbraw/zinc/71/46/10/531714610.db2.gz PPWLXUPZXJJMDE-UHFFFAOYSA-N -1 1 399.208 1.814 20 5 GDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)c(Br)c1 ZINC000269743654 531733173 /nfs/dbraw/zinc/73/31/73/531733173.db2.gz VOJSCCASNVJRLE-MRVPVSSYSA-N -1 1 393.137 1.559 20 5 GDBDMM O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000599722187 532038245 /nfs/dbraw/zinc/03/82/45/532038245.db2.gz RAIDZDLXQYWDIM-MRVPVSSYSA-N -1 1 381.190 1.890 20 5 GDBDMM C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000286021209 532127462 /nfs/dbraw/zinc/12/74/62/532127462.db2.gz PDLBJDFSEMKCQB-ZETCQYMHSA-N -1 1 385.211 1.793 20 5 GDBDMM NC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000287134586 532198278 /nfs/dbraw/zinc/19/82/78/532198278.db2.gz BKBQUQTZHWPEPQ-SECBINFHSA-N -1 1 376.822 1.317 20 5 GDBDMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000428400543 532205113 /nfs/dbraw/zinc/20/51/13/532205113.db2.gz PKGMCWATBTWFLA-NSHDSACASA-N -1 1 385.423 1.504 20 5 GDBDMM O=C([O-])[C@H]1[C@H]2CCC[N@H+]2CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000377159510 532245218 /nfs/dbraw/zinc/24/52/18/532245218.db2.gz XNZPCAUDIXHITD-ZYHUDNBSSA-N -1 1 389.817 1.170 20 5 GDBDMM O=C([O-])[C@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000377159510 532245222 /nfs/dbraw/zinc/24/52/22/532245222.db2.gz XNZPCAUDIXHITD-ZYHUDNBSSA-N -1 1 389.817 1.170 20 5 GDBDMM C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290041445 532335805 /nfs/dbraw/zinc/33/58/05/532335805.db2.gz ZPVZZKVYMVDLHZ-SXPOAWKSSA-N -1 1 375.255 1.947 20 5 GDBDMM COc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)ccc1[N+](=O)[O-] ZINC000821727349 607328030 /nfs/dbraw/zinc/32/80/30/607328030.db2.gz IEKIVLMJVJURIO-UHFFFAOYSA-N -1 1 394.344 1.723 20 5 GDBDMM CN(CC(=O)Nc1cccc(Cl)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821593765 607328804 /nfs/dbraw/zinc/32/88/04/607328804.db2.gz JBSLXJKHACPNRF-UHFFFAOYSA-N -1 1 388.775 1.898 20 5 GDBDMM CN(CC(=O)Nc1cccc(Cl)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821593765 607328805 /nfs/dbraw/zinc/32/88/05/607328805.db2.gz JBSLXJKHACPNRF-UHFFFAOYSA-N -1 1 388.775 1.898 20 5 GDBDMM O=C(Cn1c2ccccc2c(=O)c2ccccc21)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737980299 598380919 /nfs/dbraw/zinc/38/09/19/598380919.db2.gz BOYNCOOJLLAYGO-UHFFFAOYSA-N -1 1 397.398 1.790 20 5 GDBDMM O=[N+]([O-])c1c(N[C@@H]2CCCOC2)cc(N[C@@H]2CCCOC2)cc1-c1nnn[n-]1 ZINC000823630231 599543852 /nfs/dbraw/zinc/54/38/52/599543852.db2.gz SJHAVGWGUMCFDD-VXGBXAGGSA-N -1 1 389.416 1.957 20 5 GDBDMM O=[N+]([O-])c1c(N[C@@H]2CCCOC2)cc(N[C@@H]2CCCOC2)cc1-c1nn[n-]n1 ZINC000823630231 599543853 /nfs/dbraw/zinc/54/38/53/599543853.db2.gz SJHAVGWGUMCFDD-VXGBXAGGSA-N -1 1 389.416 1.957 20 5 GDBDMM COc1ccc([C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737973232 599798961 /nfs/dbraw/zinc/79/89/61/599798961.db2.gz YWCGNSFDVXLDMM-ZDUSSCGKSA-N -1 1 384.341 1.847 20 5 GDBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000824658639 607449795 /nfs/dbraw/zinc/44/97/95/607449795.db2.gz ZCHARPGCRUROHL-VIFPVBQESA-N -1 1 389.397 1.595 20 5 GDBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000824658639 607449797 /nfs/dbraw/zinc/44/97/97/607449797.db2.gz ZCHARPGCRUROHL-VIFPVBQESA-N -1 1 389.397 1.595 20 5 GDBDMM O=C([O-])[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000833167095 600745016 /nfs/dbraw/zinc/74/50/16/600745016.db2.gz XNWOPNGCOANWHW-HNNXBMFYSA-N -1 1 397.384 1.428 20 5 GDBDMM CC1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000824910747 607595221 /nfs/dbraw/zinc/59/52/21/607595221.db2.gz YOHVYNSHHLUNCV-UHFFFAOYSA-N -1 1 380.430 1.880 20 5 GDBDMM CS[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826227158 607618383 /nfs/dbraw/zinc/61/83/83/607618383.db2.gz MSUQGMIKNWXGPE-VHSXEESVSA-N -1 1 398.470 1.727 20 5 GDBDMM C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1CCC(=O)[O-] ZINC000833620819 605129946 /nfs/dbraw/zinc/12/99/46/605129946.db2.gz XZTJSTBAEZQUSZ-WBMJQRKESA-N -1 1 390.396 1.095 20 5 GDBDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000821667150 606045856 /nfs/dbraw/zinc/04/58/56/606045856.db2.gz XDIWDWJCPULIGH-UHFFFAOYSA-N -1 1 390.743 1.425 20 5 GDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000822614305 606156395 /nfs/dbraw/zinc/15/63/95/606156395.db2.gz LURSZEXTQWVUSI-UHFFFAOYSA-N -1 1 385.388 1.653 20 5 GDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000822614305 606156398 /nfs/dbraw/zinc/15/63/98/606156398.db2.gz LURSZEXTQWVUSI-UHFFFAOYSA-N -1 1 385.388 1.653 20 5 GDBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000823294678 606195491 /nfs/dbraw/zinc/19/54/91/606195491.db2.gz MSNIOFVBLDGJDY-UHFFFAOYSA-N -1 1 392.335 1.919 20 5 GDBDMM CN(Cc1ccn(-c2ccccc2)n1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821616028 606699011 /nfs/dbraw/zinc/69/90/11/606699011.db2.gz ZSGHYPPMKBOMMO-UHFFFAOYSA-N -1 1 377.368 1.992 20 5 GDBDMM CN(Cc1ccn(-c2ccccc2)n1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821616028 606699013 /nfs/dbraw/zinc/69/90/13/606699013.db2.gz ZSGHYPPMKBOMMO-UHFFFAOYSA-N -1 1 377.368 1.992 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCS(=O)(=O)Cc1ccccc1 ZINC000823624905 606703700 /nfs/dbraw/zinc/70/37/00/606703700.db2.gz KATPKESTHLZQDI-UHFFFAOYSA-N -1 1 389.397 1.197 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCS(=O)(=O)Cc1ccccc1 ZINC000823624905 606703702 /nfs/dbraw/zinc/70/37/02/606703702.db2.gz KATPKESTHLZQDI-UHFFFAOYSA-N -1 1 389.397 1.197 20 5 GDBDMM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000819899295 606709513 /nfs/dbraw/zinc/70/95/13/606709513.db2.gz QNEMKDHEGKNFFR-NSHDSACASA-N -1 1 388.432 1.549 20 5 GDBDMM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000819899295 606709515 /nfs/dbraw/zinc/70/95/15/606709515.db2.gz QNEMKDHEGKNFFR-NSHDSACASA-N -1 1 388.432 1.549 20 5 GDBDMM Cc1nsc(N2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)n1 ZINC000822530487 606714212 /nfs/dbraw/zinc/71/42/12/606714212.db2.gz DGKTUOSEYMROCP-UHFFFAOYSA-N -1 1 388.417 1.047 20 5 GDBDMM Cc1nsc(N2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)n1 ZINC000822530487 606714214 /nfs/dbraw/zinc/71/42/14/606714214.db2.gz DGKTUOSEYMROCP-UHFFFAOYSA-N -1 1 388.417 1.047 20 5 GDBDMM CN(Cc1ccsc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821615767 606731402 /nfs/dbraw/zinc/73/14/02/606731402.db2.gz MNFXUUJUBWFVML-UHFFFAOYSA-N -1 1 380.411 1.657 20 5 GDBDMM CCN(CCC(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821207156 606732236 /nfs/dbraw/zinc/73/22/36/606732236.db2.gz IUXWGBRBNWHIEM-UHFFFAOYSA-N -1 1 394.335 1.738 20 5 GDBDMM CC(C)CO[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820096965 606735439 /nfs/dbraw/zinc/73/54/39/606735439.db2.gz JCCUQKKYSGNWEH-LLVKDONJSA-N -1 1 396.429 1.211 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823647273 606738939 /nfs/dbraw/zinc/73/89/39/606738939.db2.gz JQRLCKIKOGRZGR-UHFFFAOYSA-N -1 1 382.745 1.591 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823647273 606738940 /nfs/dbraw/zinc/73/89/40/606738940.db2.gz JQRLCKIKOGRZGR-UHFFFAOYSA-N -1 1 382.745 1.591 20 5 GDBDMM COc1cccc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1 ZINC000821872743 607162459 /nfs/dbraw/zinc/16/24/59/607162459.db2.gz PDVLMIZELPAUOU-UHFFFAOYSA-N -1 1 382.384 1.505 20 5 GDBDMM COc1cccc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1 ZINC000821872743 607162461 /nfs/dbraw/zinc/16/24/61/607162461.db2.gz PDVLMIZELPAUOU-UHFFFAOYSA-N -1 1 382.384 1.505 20 5 GDBDMM O=C(COc1cccc(F)c1-c1nnn[n-]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000826418550 607866566 /nfs/dbraw/zinc/86/65/66/607866566.db2.gz LWNOHBHVSIJEAW-UHFFFAOYSA-N -1 1 384.327 1.882 20 5 GDBDMM O=C(COc1cccc(F)c1-c1nn[n-]n1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000826418550 607866567 /nfs/dbraw/zinc/86/65/67/607866567.db2.gz LWNOHBHVSIJEAW-UHFFFAOYSA-N -1 1 384.327 1.882 20 5 GDBDMM C[C@@H]1OCC[C@H]1Nc1cc(N[C@H]2CCO[C@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825022047 608148721 /nfs/dbraw/zinc/14/87/21/608148721.db2.gz VVBVZEMJPWHZMN-TXFQPVFDSA-N -1 1 389.416 1.954 20 5 GDBDMM C[C@@H]1OCC[C@H]1Nc1cc(N[C@H]2CCO[C@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825022047 608148722 /nfs/dbraw/zinc/14/87/22/608148722.db2.gz VVBVZEMJPWHZMN-TXFQPVFDSA-N -1 1 389.416 1.954 20 5 GDBDMM Cc1ccncc1[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826315843 608157714 /nfs/dbraw/zinc/15/77/14/608157714.db2.gz WEPODXVOQQXCJS-JTQLQIEISA-N -1 1 389.397 1.518 20 5 GDBDMM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826362925 609291146 /nfs/dbraw/zinc/29/11/46/609291146.db2.gz OLRUYUZUHYJGCO-UHFFFAOYSA-N -1 1 397.330 1.691 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000553912537 650663373 /nfs/dbraw/zinc/66/33/73/650663373.db2.gz YUCQKZHYEYBMAG-SNVBAGLBSA-N -1 1 388.833 1.519 20 5 GDBDMM CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000262477252 645132241 /nfs/dbraw/zinc/13/22/41/645132241.db2.gz PZBVCHMQYAFRAQ-UHFFFAOYSA-N -1 1 391.833 1.464 20 5 GDBDMM CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000262477252 645132250 /nfs/dbraw/zinc/13/22/50/645132250.db2.gz PZBVCHMQYAFRAQ-UHFFFAOYSA-N -1 1 391.833 1.464 20 5 GDBDMM NC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000452053036 647306617 /nfs/dbraw/zinc/30/66/17/647306617.db2.gz CFZCOBUCIRVLNT-APPZFPTMSA-N -1 1 392.231 1.290 20 5 GDBDMM CO[C@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000460896550 647477536 /nfs/dbraw/zinc/47/75/36/647477536.db2.gz FLQRQQPFIUWPFD-LBPRGKRZSA-N -1 1 395.231 1.441 20 5 GDBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1ccc([N+](=O)[O-])cc1F ZINC000463249462 647554857 /nfs/dbraw/zinc/55/48/57/647554857.db2.gz ZQGOAJFMMQTCLQ-UHFFFAOYSA-N -1 1 376.391 1.595 20 5 GDBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000463248102 647555024 /nfs/dbraw/zinc/55/50/24/647555024.db2.gz RGWRFZSDCPLOMY-UHFFFAOYSA-N -1 1 376.391 1.595 20 5 GDBDMM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000921497361 660305667 /nfs/dbraw/zinc/30/56/67/660305667.db2.gz MPIUNELBAZKEBX-RCOVLWMOSA-N -1 1 383.195 1.810 20 5 GDBDMM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593631824 652226989 /nfs/dbraw/zinc/22/69/89/652226989.db2.gz GJXLLQJNUHDTQZ-QMMMGPOBSA-N -1 1 399.194 1.537 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000595383631 652415441 /nfs/dbraw/zinc/41/54/41/652415441.db2.gz KPIYPGLQNVUPQM-LLVKDONJSA-N -1 1 376.341 1.101 20 5 GDBDMM O=C([O-])[C@H](CC1CCOCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000776598874 654698360 /nfs/dbraw/zinc/69/83/60/654698360.db2.gz FVJXBTGAKULGHH-NSHDSACASA-N -1 1 376.362 1.282 20 5 GDBDMM O=C([N-]N1CCCC1=O)c1ccc([N+](=O)[O-])cc1I ZINC000780699613 654791262 /nfs/dbraw/zinc/79/12/62/654791262.db2.gz JNWWSFLMMSLEQG-UHFFFAOYSA-N -1 1 375.122 1.467 20 5 GDBDMM CC1(CC[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])OCCO1 ZINC000716365106 654836765 /nfs/dbraw/zinc/83/67/65/654836765.db2.gz ZDWYQDWQYXMKOD-UHFFFAOYSA-N -1 1 395.231 1.789 20 5 GDBDMM O=C(NCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1 ZINC000725822842 654842854 /nfs/dbraw/zinc/84/28/54/654842854.db2.gz LXSVVLZHWLOGKP-UHFFFAOYSA-N -1 1 384.801 1.352 20 5 GDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCn2ccnc21 ZINC000831737600 654995108 /nfs/dbraw/zinc/99/51/08/654995108.db2.gz GFIHLMCNECCVEX-SECBINFHSA-N -1 1 387.215 1.977 20 5 GDBDMM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(-c2nnc[nH]2)cc1 ZINC000793140545 655111690 /nfs/dbraw/zinc/11/16/90/655111690.db2.gz CMEVTMIPGJDZEU-UHFFFAOYSA-N -1 1 379.379 1.560 20 5 GDBDMM CO[C@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1 ZINC000809831282 655140036 /nfs/dbraw/zinc/14/00/36/655140036.db2.gz BPIYUESPIZEOLF-LBPRGKRZSA-N -1 1 385.225 1.985 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)cc1Cl ZINC000809847799 655142402 /nfs/dbraw/zinc/14/24/02/655142402.db2.gz XFCNLRSSSDZIMK-JTQLQIEISA-N -1 1 389.792 1.837 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C[C@](C)(O)c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000765172613 655232898 /nfs/dbraw/zinc/23/28/98/655232898.db2.gz SPRVFQUYCFRZNK-AWEZNQCLSA-N -1 1 388.833 1.651 20 5 GDBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCOCC1 ZINC000798224429 655257511 /nfs/dbraw/zinc/25/75/11/655257511.db2.gz ICMAKXGEGMMTMD-UHFFFAOYSA-N -1 1 395.840 1.776 20 5 GDBDMM CC1(C)COCCN1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815009835 655277588 /nfs/dbraw/zinc/27/75/88/655277588.db2.gz OVWMAKSEFUERKF-UHFFFAOYSA-N -1 1 395.840 1.776 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCS(=O)(=O)C2CC2)cc1Cl ZINC000841557307 655346244 /nfs/dbraw/zinc/34/62/44/655346244.db2.gz HCGBVOCMEOOGGZ-UHFFFAOYSA-N -1 1 386.810 1.243 20 5 GDBDMM O=C([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000842968684 655385475 /nfs/dbraw/zinc/38/54/75/655385475.db2.gz FBQHKZXHUMCTMC-RKDXNWHRSA-N -1 1 383.607 1.573 20 5 GDBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CO1 ZINC000828288194 655520303 /nfs/dbraw/zinc/52/03/03/655520303.db2.gz CGJUKQFOFCWNPP-RQJHMYQMSA-N -1 1 383.195 1.952 20 5 GDBDMM CCn1nncc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000859248123 655771742 /nfs/dbraw/zinc/77/17/42/655771742.db2.gz MLQBUWZZBMGIKK-UHFFFAOYSA-N -1 1 380.213 1.992 20 5 GDBDMM O=C(NCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000823191390 946340894 /nfs/dbraw/zinc/34/08/94/946340894.db2.gz LHMCTBVVSKDNOR-UHFFFAOYSA-N -1 1 386.347 1.541 20 5 GDBDMM O=C(NCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000823191390 946340905 /nfs/dbraw/zinc/34/09/05/946340905.db2.gz LHMCTBVVSKDNOR-UHFFFAOYSA-N -1 1 386.347 1.541 20 5 GDBDMM CC(C)c1[nH]nc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC001591920886 976390581 /nfs/dbraw/zinc/39/05/81/976390581.db2.gz LDDKSNWIBSAPMM-QJPTWQEYSA-N -1 1 380.401 1.926 20 5 GDBDMM C[C@H](CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001592661012 978646307 /nfs/dbraw/zinc/64/63/07/978646307.db2.gz XWJFMBMXRYJBII-ZIAGYGMSSA-N -1 1 378.429 1.889 20 5 GDBDMM CCCN(CCN1CCCC1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595879169 982879333 /nfs/dbraw/zinc/87/93/33/982879333.db2.gz LREPOCFOGRTADU-UHFFFAOYSA-N -1 1 385.442 1.790 20 5 GDBDMM CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001598163058 990666475 /nfs/dbraw/zinc/66/64/75/990666475.db2.gz QVZMOUOTDMPODJ-UHFFFAOYSA-N -1 1 393.377 1.796 20 5 GDBDMM COc1cc([N+](=O)[O-])c(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1SC ZINC001599462413 998297156 /nfs/dbraw/zinc/29/71/56/998297156.db2.gz RNZKREDZPMVFIE-SNVBAGLBSA-N -1 1 380.382 1.474 20 5 GDBDMM CN(C)C(=O)c1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000173340907 530628591 /nfs/dbraw/zinc/62/85/91/530628591.db2.gz CLTWQVMDOWMAGD-UHFFFAOYSA-N -1 1 383.451 1.879 20 5 GDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1O ZINC000188793060 530900807 /nfs/dbraw/zinc/90/08/07/530900807.db2.gz GZSVBRKVNWJXPK-ONGXEEELSA-N -1 1 379.232 1.939 20 5 GDBDMM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000188506142 530895356 /nfs/dbraw/zinc/89/53/56/530895356.db2.gz BFIKUIWUQPLMLS-QMMMGPOBSA-N -1 1 394.247 1.502 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC(F)(F)F ZINC000146876661 531126482 /nfs/dbraw/zinc/12/64/82/531126482.db2.gz VHTKBBCGGDDASJ-UHFFFAOYSA-N -1 1 375.712 1.205 20 5 GDBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(CS(N)(=O)=O)c1 ZINC000519876290 531222436 /nfs/dbraw/zinc/22/24/36/531222436.db2.gz NPKCTCOWGRAGTG-UHFFFAOYSA-N -1 1 385.423 1.493 20 5 GDBDMM C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290337387 531225031 /nfs/dbraw/zinc/22/50/31/531225031.db2.gz BDJJTOVUPQSTTG-BDAKNGLRSA-N -1 1 382.797 1.860 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nnc2n1CCC2 ZINC000290806135 531256700 /nfs/dbraw/zinc/25/67/00/531256700.db2.gz RWGMVRJZMZWFMN-ZETCQYMHSA-N -1 1 389.796 1.965 20 5 GDBDMM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000280240326 531482625 /nfs/dbraw/zinc/48/26/25/531482625.db2.gz MLGAGQUSERHHIT-LLVKDONJSA-N -1 1 375.834 1.785 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]CCc2nsc3ccccc23)c([N+](=O)[O-])n1 ZINC000595365562 531876899 /nfs/dbraw/zinc/87/68/99/531876899.db2.gz NNQDGURSQISDNA-UHFFFAOYSA-N -1 1 381.439 1.942 20 5 GDBDMM CC(C)(C)[C@H](O)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000284749678 531987612 /nfs/dbraw/zinc/98/76/12/531987612.db2.gz UIOMGHVHLMNHPE-ZWNOBZJWSA-N -1 1 380.850 1.685 20 5 GDBDMM COCCOCCOCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000274387563 532207422 /nfs/dbraw/zinc/20/74/22/532207422.db2.gz KBRVGXMYTXCQQL-UHFFFAOYSA-N -1 1 396.849 1.596 20 5 GDBDMM O=C([O-])[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000275261326 532281391 /nfs/dbraw/zinc/28/13/91/532281391.db2.gz MHPHQCODLWTTNS-LURJTMIESA-N -1 1 376.696 1.932 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCCCCO ZINC000289147899 532316672 /nfs/dbraw/zinc/31/66/72/532316672.db2.gz KPTMDHXFGVERAI-UHFFFAOYSA-N -1 1 385.211 1.937 20 5 GDBDMM O=C1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000289882681 532333531 /nfs/dbraw/zinc/33/35/31/532333531.db2.gz ONNASVADYSOXEO-MRVPVSSYSA-N -1 1 391.808 1.677 20 5 GDBDMM CCc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c([N+](=O)[O-])c1 ZINC000736692473 599085094 /nfs/dbraw/zinc/08/50/94/599085094.db2.gz VROFGFDPBGNZAV-UHFFFAOYSA-N -1 1 376.354 1.500 20 5 GDBDMM CCc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c([N+](=O)[O-])c1 ZINC000736692473 599085096 /nfs/dbraw/zinc/08/50/96/599085096.db2.gz VROFGFDPBGNZAV-UHFFFAOYSA-N -1 1 376.354 1.500 20 5 GDBDMM O=C([O-])C1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000740482144 596925816 /nfs/dbraw/zinc/92/58/16/596925816.db2.gz JDCALXQDRVUZJS-UHFFFAOYSA-N -1 1 376.413 1.040 20 5 GDBDMM Cc1nn(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737520152 598472959 /nfs/dbraw/zinc/47/29/59/598472959.db2.gz BEMXFMUBXZLOGO-UHFFFAOYSA-N -1 1 395.339 1.047 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820450648 599325058 /nfs/dbraw/zinc/32/50/58/599325058.db2.gz NWANUYDNRQEASX-VIFPVBQESA-N -1 1 375.370 1.209 20 5 GDBDMM O=[N+]([O-])c1c(N[C@@H]2CCCOC2)cc(N[C@H]2CCCOC2)cc1-c1nnn[n-]1 ZINC000823630229 599542936 /nfs/dbraw/zinc/54/29/36/599542936.db2.gz SJHAVGWGUMCFDD-NWDGAFQWSA-N -1 1 389.416 1.957 20 5 GDBDMM O=[N+]([O-])c1c(N[C@@H]2CCCOC2)cc(N[C@H]2CCCOC2)cc1-c1nn[n-]n1 ZINC000823630229 599542938 /nfs/dbraw/zinc/54/29/38/599542938.db2.gz SJHAVGWGUMCFDD-NWDGAFQWSA-N -1 1 389.416 1.957 20 5 GDBDMM C[C@@H](O)CNC(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000820479779 599559123 /nfs/dbraw/zinc/55/91/23/599559123.db2.gz BZBHFPPEDHNOAU-SECBINFHSA-N -1 1 385.340 1.073 20 5 GDBDMM C[C@@H](O)CNC(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000820479779 599559126 /nfs/dbraw/zinc/55/91/26/599559126.db2.gz BZBHFPPEDHNOAU-SECBINFHSA-N -1 1 385.340 1.073 20 5 GDBDMM C[C@@H](C[N@@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1)C(=O)[O-] ZINC000736578894 599933229 /nfs/dbraw/zinc/93/32/29/599933229.db2.gz PQAWSVRBJVLEOB-NSHDSACASA-N -1 1 376.369 1.506 20 5 GDBDMM C[C@@H](CN(CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1)C(=O)[O-] ZINC000736578894 599933231 /nfs/dbraw/zinc/93/32/31/599933231.db2.gz PQAWSVRBJVLEOB-NSHDSACASA-N -1 1 376.369 1.506 20 5 GDBDMM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000740095604 600671180 /nfs/dbraw/zinc/67/11/80/600671180.db2.gz JTHGHTUXICZDGW-TZMCWYRMSA-N -1 1 380.357 1.237 20 5 GDBDMM CC(C)C[C@H](CCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824235548 607656826 /nfs/dbraw/zinc/65/68/26/607656826.db2.gz IJMJZHVOYLGJTP-NSHDSACASA-N -1 1 398.445 1.098 20 5 GDBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)nc1 ZINC000826499137 607729099 /nfs/dbraw/zinc/72/90/99/607729099.db2.gz WXFQMVTYDGAKRR-SECBINFHSA-N -1 1 387.791 1.909 20 5 GDBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)nc1 ZINC000826499137 607729101 /nfs/dbraw/zinc/72/91/01/607729101.db2.gz WXFQMVTYDGAKRR-SECBINFHSA-N -1 1 387.791 1.909 20 5 GDBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820121658 606159373 /nfs/dbraw/zinc/15/93/73/606159373.db2.gz UDHXRNRIQUTRCW-UHFFFAOYSA-N -1 1 385.388 1.951 20 5 GDBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820121658 606159374 /nfs/dbraw/zinc/15/93/74/606159374.db2.gz UDHXRNRIQUTRCW-UHFFFAOYSA-N -1 1 385.388 1.951 20 5 GDBDMM CO[C@@H]1CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@@H](OC)C3)c2)C1 ZINC000821697770 606426482 /nfs/dbraw/zinc/42/64/82/606426482.db2.gz QSJRZCBWAYAWSE-CHWSQXEVSA-N -1 1 389.416 1.225 20 5 GDBDMM CO[C@@H]1CCN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3CC[C@@H](OC)C3)c2)C1 ZINC000821697770 606426484 /nfs/dbraw/zinc/42/64/84/606426484.db2.gz QSJRZCBWAYAWSE-CHWSQXEVSA-N -1 1 389.416 1.225 20 5 GDBDMM COC(=O)c1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000821667026 606650275 /nfs/dbraw/zinc/65/02/75/606650275.db2.gz QRIKJEIKYUEEFP-UHFFFAOYSA-N -1 1 384.308 1.314 20 5 GDBDMM COC(=O)c1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000821667026 606650276 /nfs/dbraw/zinc/65/02/76/606650276.db2.gz QRIKJEIKYUEEFP-UHFFFAOYSA-N -1 1 384.308 1.314 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1N1CCOCC1 ZINC000823625536 606704000 /nfs/dbraw/zinc/70/40/00/606704000.db2.gz XWWIUKWXTWMQKB-UHFFFAOYSA-N -1 1 382.384 1.619 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1N1CCOCC1 ZINC000823625536 606704002 /nfs/dbraw/zinc/70/40/02/606704002.db2.gz XWWIUKWXTWMQKB-UHFFFAOYSA-N -1 1 382.384 1.619 20 5 GDBDMM NC(=O)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000822850788 606708607 /nfs/dbraw/zinc/70/86/07/606708607.db2.gz QLLQASWESMWZRR-JTQLQIEISA-N -1 1 386.347 1.065 20 5 GDBDMM NC(=O)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000822850788 606708608 /nfs/dbraw/zinc/70/86/08/606708608.db2.gz QLLQASWESMWZRR-JTQLQIEISA-N -1 1 386.347 1.065 20 5 GDBDMM CC(C)(C)C(=O)NC[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000819899294 606709615 /nfs/dbraw/zinc/70/96/15/606709615.db2.gz QNEMKDHEGKNFFR-LLVKDONJSA-N -1 1 388.432 1.549 20 5 GDBDMM CC(C)(C)C(=O)NC[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000819899294 606709616 /nfs/dbraw/zinc/70/96/16/606709616.db2.gz QNEMKDHEGKNFFR-LLVKDONJSA-N -1 1 388.432 1.549 20 5 GDBDMM C[C@@H]1CN(c2ccc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cn2)CCO1 ZINC000820776757 607168472 /nfs/dbraw/zinc/16/84/72/607168472.db2.gz NEAZSNJSPHBYNP-LLVKDONJSA-N -1 1 397.399 1.402 20 5 GDBDMM C[C@@H]1CN(c2ccc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cn2)CCO1 ZINC000820776757 607168474 /nfs/dbraw/zinc/16/84/74/607168474.db2.gz NEAZSNJSPHBYNP-LLVKDONJSA-N -1 1 397.399 1.402 20 5 GDBDMM Cc1cnc(CN(C)[C@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)o1 ZINC000822389369 607174742 /nfs/dbraw/zinc/17/47/42/607174742.db2.gz UACXLWZCAOQXFC-NSHDSACASA-N -1 1 385.388 1.177 20 5 GDBDMM Cc1oc(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c(-c2nn[n-]n2)c1C ZINC000826342058 607943015 /nfs/dbraw/zinc/94/30/15/607943015.db2.gz WYMXMWVFLWXXMQ-UHFFFAOYSA-N -1 1 397.395 1.982 20 5 GDBDMM O=[N+]([O-])c1cccc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826499277 607974727 /nfs/dbraw/zinc/97/47/27/607974727.db2.gz CGBPJGVQEQYOAB-UHFFFAOYSA-N -1 1 392.372 1.435 20 5 GDBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826421652 607979968 /nfs/dbraw/zinc/97/99/68/607979968.db2.gz SEXPQZAGGYJIRW-UHFFFAOYSA-N -1 1 379.336 1.937 20 5 GDBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826421652 607979969 /nfs/dbraw/zinc/97/99/69/607979969.db2.gz SEXPQZAGGYJIRW-UHFFFAOYSA-N -1 1 379.336 1.937 20 5 GDBDMM CCC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCOCC1 ZINC000825176078 608056464 /nfs/dbraw/zinc/05/64/64/608056464.db2.gz FLGHEUXXBWFFAV-UHFFFAOYSA-N -1 1 382.402 1.012 20 5 GDBDMM CC(C)(C)OC(=O)N1CC[C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000824104666 609604315 /nfs/dbraw/zinc/60/43/15/609604315.db2.gz WHHLFPFQVYKZDE-JTQLQIEISA-N -1 1 390.404 1.839 20 5 GDBDMM CC(C)(C)OC(=O)N1CC[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000824104666 609604318 /nfs/dbraw/zinc/60/43/18/609604318.db2.gz WHHLFPFQVYKZDE-JTQLQIEISA-N -1 1 390.404 1.839 20 5 GDBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824991454 609610685 /nfs/dbraw/zinc/61/06/85/609610685.db2.gz BEZUSXMNNTXUMR-JTQLQIEISA-N -1 1 380.430 1.832 20 5 GDBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1sccc1-c1nn[nH]n1 ZINC000826415806 609622128 /nfs/dbraw/zinc/62/21/28/609622128.db2.gz TWDFQPPZKZJKCJ-UHFFFAOYSA-N -1 1 390.337 1.338 20 5 GDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000548044421 650529113 /nfs/dbraw/zinc/52/91/13/650529113.db2.gz JNNCHGQDPGZTDK-CABZTGNLSA-N -1 1 383.348 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CN(CC(=O)[O-])C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000485459610 599851555 /nfs/dbraw/zinc/85/15/55/599851555.db2.gz CSVNWKFWTILDKE-UHFFFAOYSA-N -1 1 393.377 1.552 20 5 GDBDMM O=C([O-])CSCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548588658 600740561 /nfs/dbraw/zinc/74/05/61/600740561.db2.gz QDIAEPLEFJOAMG-UHFFFAOYSA-N -1 1 389.238 1.998 20 5 GDBDMM C[C@@](O)(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000574697273 600760378 /nfs/dbraw/zinc/76/03/78/600760378.db2.gz MZMDDQFAKLSBDT-CQSZACIVSA-N -1 1 377.319 1.571 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826500255 607589572 /nfs/dbraw/zinc/58/95/72/607589572.db2.gz QBUPEFURNAUAGA-LBPRGKRZSA-N -1 1 386.393 1.911 20 5 GDBDMM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826293100 607591080 /nfs/dbraw/zinc/59/10/80/607591080.db2.gz AYZXEBQSBQOSKY-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826293100 607591082 /nfs/dbraw/zinc/59/10/82/607591082.db2.gz AYZXEBQSBQOSKY-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM C[C@H]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824925223 607595525 /nfs/dbraw/zinc/59/55/25/607595525.db2.gz BUPJMRABQWSUEX-WDEREUQCSA-N -1 1 380.430 1.880 20 5 GDBDMM CC(C)(C)SCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824124517 607604004 /nfs/dbraw/zinc/60/40/04/607604004.db2.gz UOJYASAWALZFMO-UHFFFAOYSA-N -1 1 386.459 1.585 20 5 GDBDMM CCCC[C@@H](COC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825260327 607619958 /nfs/dbraw/zinc/61/99/58/607619958.db2.gz OADIAQFVSJGEGW-JTQLQIEISA-N -1 1 384.418 1.258 20 5 GDBDMM CCOC(=O)CCC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000825506232 607679548 /nfs/dbraw/zinc/67/95/48/607679548.db2.gz IIFXYJGETBFURW-UHFFFAOYSA-N -1 1 375.389 1.730 20 5 GDBDMM CCOC(=O)CCC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000825506232 607679550 /nfs/dbraw/zinc/67/95/50/607679550.db2.gz IIFXYJGETBFURW-UHFFFAOYSA-N -1 1 375.389 1.730 20 5 GDBDMM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000833786198 605328437 /nfs/dbraw/zinc/32/84/37/605328437.db2.gz UIDJRLURORSFJI-UHFFFAOYSA-N -1 1 393.333 1.425 20 5 GDBDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000822542035 606224899 /nfs/dbraw/zinc/22/48/99/606224899.db2.gz STOSKIZCNVWNMR-UHFFFAOYSA-N -1 1 398.339 1.521 20 5 GDBDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000822542035 606224901 /nfs/dbraw/zinc/22/49/01/606224901.db2.gz STOSKIZCNVWNMR-UHFFFAOYSA-N -1 1 398.339 1.521 20 5 GDBDMM NS(=O)(=O)c1ccc(CCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000822895144 606644295 /nfs/dbraw/zinc/64/42/95/606644295.db2.gz LMZBANSBUZEALT-UHFFFAOYSA-N -1 1 389.397 1.077 20 5 GDBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000823436171 606652430 /nfs/dbraw/zinc/65/24/30/606652430.db2.gz KSAMNOGUBUZHAH-UHFFFAOYSA-N -1 1 393.319 1.781 20 5 GDBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000823436171 606652431 /nfs/dbraw/zinc/65/24/31/606652431.db2.gz KSAMNOGUBUZHAH-UHFFFAOYSA-N -1 1 393.319 1.781 20 5 GDBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000822902543 606695317 /nfs/dbraw/zinc/69/53/17/606695317.db2.gz CRYDFPFXGFFREY-UHFFFAOYSA-N -1 1 393.161 1.199 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(N2CCC(O)CC2)cc1 ZINC000823625502 606698559 /nfs/dbraw/zinc/69/85/59/606698559.db2.gz WVKAWHSAUCVQSG-UHFFFAOYSA-N -1 1 382.384 1.875 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(N2CCC(O)CC2)cc1 ZINC000823625502 606698561 /nfs/dbraw/zinc/69/85/61/606698561.db2.gz WVKAWHSAUCVQSG-UHFFFAOYSA-N -1 1 382.384 1.875 20 5 GDBDMM C[C@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000820241089 606704948 /nfs/dbraw/zinc/70/49/48/606704948.db2.gz DJYFPGSDBBHHLL-SECBINFHSA-N -1 1 378.393 1.885 20 5 GDBDMM C[C@H](CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000820241089 606704949 /nfs/dbraw/zinc/70/49/49/606704949.db2.gz DJYFPGSDBBHHLL-SECBINFHSA-N -1 1 378.393 1.885 20 5 GDBDMM C[C@@](O)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000820467170 606710491 /nfs/dbraw/zinc/71/04/91/606710491.db2.gz BJTMFLPQVSACNK-OAHLLOKOSA-N -1 1 377.311 1.768 20 5 GDBDMM C[C@@](O)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000820467170 606710493 /nfs/dbraw/zinc/71/04/93/606710493.db2.gz BJTMFLPQVSACNK-OAHLLOKOSA-N -1 1 377.311 1.768 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000823620431 606716132 /nfs/dbraw/zinc/71/61/32/606716132.db2.gz KZBUCAYJAAIYTA-SNVBAGLBSA-N -1 1 383.372 1.814 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000823620431 606716133 /nfs/dbraw/zinc/71/61/33/606716133.db2.gz KZBUCAYJAAIYTA-SNVBAGLBSA-N -1 1 383.372 1.814 20 5 GDBDMM CC(C)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820038454 606733632 /nfs/dbraw/zinc/73/36/32/606733632.db2.gz OHBMSMUZSOPQON-NSHDSACASA-N -1 1 380.430 1.974 20 5 GDBDMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2ccc([N+](=O)[O-])c3ccccc23)n(C)c1=O ZINC000822604625 606802365 /nfs/dbraw/zinc/80/23/65/606802365.db2.gz IPGPUAPAFGYSDV-UHFFFAOYSA-N -1 1 395.335 1.118 20 5 GDBDMM COc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc(OC)c1OC ZINC000821716980 607164383 /nfs/dbraw/zinc/16/43/83/607164383.db2.gz ITRNYOXYNRZPQA-UHFFFAOYSA-N -1 1 387.356 1.808 20 5 GDBDMM COc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc(OC)c1OC ZINC000821716980 607164385 /nfs/dbraw/zinc/16/43/85/607164385.db2.gz ITRNYOXYNRZPQA-UHFFFAOYSA-N -1 1 387.356 1.808 20 5 GDBDMM COc1ccc(OC)c2c1CN(c1ccc([N+](=O)[O-])c(-c3nnn[n-]3)c1)C[C@@H]2O ZINC000826210722 607838896 /nfs/dbraw/zinc/83/88/96/607838896.db2.gz BTJNINSBPZOQIB-AWEZNQCLSA-N -1 1 398.379 1.846 20 5 GDBDMM COc1ccc(OC)c2c1CN(c1ccc([N+](=O)[O-])c(-c3nn[n-]n3)c1)C[C@@H]2O ZINC000826210722 607838897 /nfs/dbraw/zinc/83/88/97/607838897.db2.gz BTJNINSBPZOQIB-AWEZNQCLSA-N -1 1 398.379 1.846 20 5 GDBDMM Cc1cc(F)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826268813 607852246 /nfs/dbraw/zinc/85/22/46/607852246.db2.gz OQPCVPFYXZTPRV-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM COc1ccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826209728 607863458 /nfs/dbraw/zinc/86/34/58/607863458.db2.gz NWXMFIJUJQEYDV-UHFFFAOYSA-N -1 1 388.315 1.940 20 5 GDBDMM COc1ccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826209728 607863459 /nfs/dbraw/zinc/86/34/59/607863459.db2.gz NWXMFIJUJQEYDV-UHFFFAOYSA-N -1 1 388.315 1.940 20 5 GDBDMM C[C@@H]1CC[C@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[n-]n3)C2)C1 ZINC000824915575 609401582 /nfs/dbraw/zinc/40/15/82/609401582.db2.gz GTLAJUGUTMLAMR-BZNIZROVSA-N -1 1 392.441 1.976 20 5 GDBDMM CN(C)C(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000537021469 650286161 /nfs/dbraw/zinc/28/61/61/650286161.db2.gz XXHYGTPBXZASSD-BXKDBHETSA-N -1 1 391.833 1.162 20 5 GDBDMM O=C1[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CN1c1ccccc1 ZINC000546538749 650478447 /nfs/dbraw/zinc/47/84/47/650478447.db2.gz PSCCSZOQDQVVGJ-GFCCVEGCSA-N -1 1 381.797 1.942 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccnc(OC(F)F)c2)c([N+](=O)[O-])n1 ZINC000556358908 650703078 /nfs/dbraw/zinc/70/30/78/650703078.db2.gz WAQTZNZWZPBHQZ-UHFFFAOYSA-N -1 1 377.329 1.286 20 5 GDBDMM C[S@@](=O)CCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000116901223 644649228 /nfs/dbraw/zinc/64/92/28/644649228.db2.gz DTMNCYBHEDGGJP-IBGZPJMESA-N -1 1 385.261 1.404 20 5 GDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000128432719 644729554 /nfs/dbraw/zinc/72/95/54/644729554.db2.gz YNEMTBOQPKYYCJ-MNOVXSKESA-N -1 1 379.232 1.795 20 5 GDBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCOCC1 ZINC000194339863 645060315 /nfs/dbraw/zinc/06/03/15/645060315.db2.gz HKGFMDYUAAIRNK-CYBMUJFWSA-N -1 1 375.422 1.369 20 5 GDBDMM O=C([O-])C[N@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000263454124 645153531 /nfs/dbraw/zinc/15/35/31/645153531.db2.gz BLVGIWOEXLKEKO-UHFFFAOYSA-N -1 1 389.455 1.262 20 5 GDBDMM O=C([O-])C[N@@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000263454124 645153536 /nfs/dbraw/zinc/15/35/36/645153536.db2.gz BLVGIWOEXLKEKO-UHFFFAOYSA-N -1 1 389.455 1.262 20 5 GDBDMM CCn1ncnc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000481234792 647872934 /nfs/dbraw/zinc/87/29/34/647872934.db2.gz SMNQKCFTHRFQHA-UHFFFAOYSA-N -1 1 390.219 1.447 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000595383632 652415464 /nfs/dbraw/zinc/41/54/64/652415464.db2.gz KPIYPGLQNVUPQM-NSHDSACASA-N -1 1 376.341 1.101 20 5 GDBDMM COCCN1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000609279162 652840433 /nfs/dbraw/zinc/84/04/33/652840433.db2.gz LDPHSZWUQVZEPL-LLVKDONJSA-N -1 1 377.850 1.637 20 5 GDBDMM Cc1csc(Sc2ccc(C(=O)NCc3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000609489154 652845766 /nfs/dbraw/zinc/84/57/66/652845766.db2.gz RYEJKNANBNJDSN-UHFFFAOYSA-N -1 1 377.411 1.954 20 5 GDBDMM COC1CCN(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000610574657 652886990 /nfs/dbraw/zinc/88/69/90/652886990.db2.gz USCGIPMHDTYJJP-UHFFFAOYSA-N -1 1 377.850 1.637 20 5 GDBDMM COC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000726598612 654855901 /nfs/dbraw/zinc/85/59/01/654855901.db2.gz IRFZRFJDMVZMNI-VIFPVBQESA-N -1 1 377.806 1.757 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCS1(=O)=O ZINC000784369800 654884339 /nfs/dbraw/zinc/88/43/39/654884339.db2.gz KMHSXQRYOJOFBJ-SNVBAGLBSA-N -1 1 382.847 1.494 20 5 GDBDMM CSC[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000751438859 654890682 /nfs/dbraw/zinc/89/06/82/654890682.db2.gz QAPAFAYFWTZMLS-SECBINFHSA-N -1 1 399.288 1.750 20 5 GDBDMM CCN1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1=O ZINC000832264864 655024761 /nfs/dbraw/zinc/02/47/61/655024761.db2.gz HMUWWVYJQILMQC-ZETCQYMHSA-N -1 1 382.225 1.801 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCn2cncn2)c(Cl)cc1Cl ZINC000809808270 655137059 /nfs/dbraw/zinc/13/70/59/655137059.db2.gz MMGUWNBHBQYCNN-UHFFFAOYSA-N -1 1 380.213 1.862 20 5 GDBDMM NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809819131 655138310 /nfs/dbraw/zinc/13/83/10/655138310.db2.gz WEHWEOFAYZBRQZ-YUMQZZPRSA-N -1 1 379.797 1.710 20 5 GDBDMM CN1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1=O ZINC000809840563 655141354 /nfs/dbraw/zinc/14/13/54/655141354.db2.gz WZFBAUIULNQEFS-SSDOTTSWSA-N -1 1 382.225 1.801 20 5 GDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCS(=O)(=O)CC1CC1 ZINC000765232144 655236140 /nfs/dbraw/zinc/23/61/40/655236140.db2.gz ASTLQQIBJQYKQM-UHFFFAOYSA-N -1 1 382.847 1.351 20 5 GDBDMM CC(C)(C)OC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000765945713 655253511 /nfs/dbraw/zinc/25/35/11/655253511.db2.gz NPZGCPJHMZTCGX-AWEZNQCLSA-N -1 1 378.378 1.105 20 5 GDBDMM C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 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CCN1CCCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC001596425270 984071646 /nfs/dbraw/zinc/07/16/46/984071646.db2.gz RYSCYVNMOZVYAZ-UHFFFAOYSA-N -1 1 378.385 1.094 20 5 GDBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001589437639 986758279 /nfs/dbraw/zinc/75/82/79/986758279.db2.gz GDHPVLVBEBIQCT-VGTOOOLASA-N -1 1 397.815 1.998 20 5 GDBDMM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC001589621365 987501604 /nfs/dbraw/zinc/50/16/04/987501604.db2.gz VRWNUJYTBURLFD-HNNXBMFYSA-N -1 1 390.396 1.095 20 5 GDBDMM COC(=O)C1([C@]2(O)CCCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)CCC1 ZINC001598718897 995452157 /nfs/dbraw/zinc/45/21/57/995452157.db2.gz WLNQCFXEMCINBJ-IBGZPJMESA-N -1 1 392.408 1.963 20 5 GDBDMM C[C@]1(NC(=O)C(F)(F)F)CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594051633 997745112 /nfs/dbraw/zinc/74/51/12/997745112.db2.gz HRCYGIOTLQYWEI-AWEZNQCLSA-N -1 1 375.303 1.869 20 5 GDBDMM C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1CCC(=O)[O-] ZINC001594465659 999684453 /nfs/dbraw/zinc/68/44/53/999684453.db2.gz UHFKBLKWKDXWFF-CQSZACIVSA-N -1 1 378.429 1.794 20 5 GDBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCCC1=O ZINC000193873066 530995292 /nfs/dbraw/zinc/99/52/92/530995292.db2.gz KIGQTGRYDYKMKY-JTQLQIEISA-N -1 1 375.834 1.928 20 5 GDBDMM C[C@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000195475622 531024054 /nfs/dbraw/zinc/02/40/54/531024054.db2.gz WIJCUHQWWPBGNX-WRWORJQWSA-N -1 1 392.231 1.160 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCN2CCOCC2)c1Cl ZINC000145272018 531124692 /nfs/dbraw/zinc/12/46/92/531124692.db2.gz SVNQXGGIIIMVKX-UHFFFAOYSA-N -1 1 398.268 1.902 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nncn1C ZINC000264040005 531165817 /nfs/dbraw/zinc/16/58/17/531165817.db2.gz DKDVFSRTCZUDNF-SSDOTTSWSA-N -1 1 390.219 1.525 20 5 GDBDMM O=C(NCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCC1 ZINC000290343207 531225208 /nfs/dbraw/zinc/22/52/08/531225208.db2.gz BSNWIZMMBAPQKN-UHFFFAOYSA-N -1 1 393.824 1.972 20 5 GDBDMM COc1cc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)sc1S(N)(=O)=O ZINC000473361222 531254330 /nfs/dbraw/zinc/25/43/30/531254330.db2.gz ZSDHDGKAPCTGRD-UHFFFAOYSA-N -1 1 375.359 1.704 20 5 GDBDMM COC(=O)CC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000267309708 531419142 /nfs/dbraw/zinc/41/91/42/531419142.db2.gz WSYODWWIUHVVGU-UHFFFAOYSA-N -1 1 392.817 1.639 20 5 GDBDMM O=C(NCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC000610260887 531500036 /nfs/dbraw/zinc/50/00/36/531500036.db2.gz ZCODEBQSOKEWDI-UHFFFAOYSA-N -1 1 384.801 1.352 20 5 GDBDMM COCC[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000281449948 531619744 /nfs/dbraw/zinc/61/97/44/531619744.db2.gz STJQRKCXQYTCDK-SECBINFHSA-N -1 1 383.220 1.033 20 5 GDBDMM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000269312985 531642120 /nfs/dbraw/zinc/64/21/20/531642120.db2.gz WJEGJQYKSWAWAY-SSDOTTSWSA-N -1 1 381.204 1.445 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)n2)c([N+](=O)[O-])n1 ZINC000451684931 531665437 /nfs/dbraw/zinc/66/54/37/531665437.db2.gz YOJRYVRSCNEDPG-UHFFFAOYSA-N -1 1 379.320 1.704 20 5 GDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)NCCF ZINC000282291662 531734659 /nfs/dbraw/zinc/73/46/59/531734659.db2.gz LOJGDEKEQWQYCW-ZETCQYMHSA-N -1 1 398.210 1.110 20 5 GDBDMM O=C([O-])[C@@H]1[C@@H]2CCCN2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000370567951 531994056 /nfs/dbraw/zinc/99/40/56/531994056.db2.gz JFRVMWIDWLKXPR-AAEUAGOBSA-N -1 1 389.817 1.170 20 5 GDBDMM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000285231408 532051083 /nfs/dbraw/zinc/05/10/83/532051083.db2.gz BBIAZJNERSRXRR-UHFFFAOYSA-N -1 1 396.874 1.884 20 5 GDBDMM CC(C)[C@](C)([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(N)=O ZINC000285302023 532063952 /nfs/dbraw/zinc/06/39/52/532063952.db2.gz LHRHOOLMMPZBFZ-LBPRGKRZSA-N -1 1 394.247 1.536 20 5 GDBDMM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000425210739 532129293 /nfs/dbraw/zinc/12/92/93/532129293.db2.gz WWDSBRBLSXNPJP-ZCFIWIBFSA-N -1 1 377.425 1.939 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](O)C1 ZINC000286367175 532145555 /nfs/dbraw/zinc/14/55/55/532145555.db2.gz JRERMVPTVDTETH-JGVFFNPUSA-N -1 1 397.222 1.936 20 5 GDBDMM O=C([O-])[C@@H]1[C@@H]2CCC[N@H+]2CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377152182 532244596 /nfs/dbraw/zinc/24/45/96/532244596.db2.gz OIMHSWOMACEHEK-GWCFXTLKSA-N -1 1 389.817 1.170 20 5 GDBDMM O=C([O-])[C@@H]1[C@@H]2CCCN2CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377152182 532244597 /nfs/dbraw/zinc/24/45/97/532244597.db2.gz OIMHSWOMACEHEK-GWCFXTLKSA-N -1 1 389.817 1.170 20 5 GDBDMM O=C([O-])[C@@H]1[C@@H]2CCC[N@H+]2CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000377159508 532245459 /nfs/dbraw/zinc/24/54/59/532245459.db2.gz XNZPCAUDIXHITD-JQWIXIFHSA-N -1 1 389.817 1.170 20 5 GDBDMM O=C([O-])[C@@H]1[C@@H]2CCCN2CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000377159508 532245460 /nfs/dbraw/zinc/24/54/60/532245460.db2.gz XNZPCAUDIXHITD-JQWIXIFHSA-N -1 1 389.817 1.170 20 5 GDBDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000738259907 598982296 /nfs/dbraw/zinc/98/22/96/598982296.db2.gz XJZPXJJJAQTACT-UHFFFAOYSA-N -1 1 380.368 1.132 20 5 GDBDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000738259907 598982298 /nfs/dbraw/zinc/98/22/98/598982298.db2.gz XJZPXJJJAQTACT-UHFFFAOYSA-N -1 1 380.368 1.132 20 5 GDBDMM CCc1nn(CCOc2ccccc2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706382 598379440 /nfs/dbraw/zinc/37/94/40/598379440.db2.gz KJSDIPNUKOXIGO-UHFFFAOYSA-N -1 1 385.384 1.535 20 5 GDBDMM O=C([O-])[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000833167096 600745097 /nfs/dbraw/zinc/74/50/97/600745097.db2.gz XNWOPNGCOANWHW-OAHLLOKOSA-N -1 1 397.384 1.428 20 5 GDBDMM COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc([N+](=O)[O-])c1 ZINC000438710235 600817044 /nfs/dbraw/zinc/81/70/44/600817044.db2.gz ADFOFLIOZVNLPF-UHFFFAOYSA-N -1 1 383.338 1.219 20 5 GDBDMM Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)c1-c1nn[n-]n1 ZINC000826304781 607589839 /nfs/dbraw/zinc/58/98/39/607589839.db2.gz XWCNEWIKGNVWKF-UHFFFAOYSA-N -1 1 379.329 1.990 20 5 GDBDMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000739204834 603153730 /nfs/dbraw/zinc/15/37/30/603153730.db2.gz DNOABULMYRDCQI-LDYMZIIASA-N -1 1 391.377 1.516 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c1-c1nn[n-]n1 ZINC000826499955 607677793 /nfs/dbraw/zinc/67/77/93/607677793.db2.gz GCZBUHQYOHZYRZ-MRVPVSSYSA-N -1 1 388.356 1.631 20 5 GDBDMM COc1ccc([N+](=O)[O-])cc1Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000826212182 607716131 /nfs/dbraw/zinc/71/61/31/607716131.db2.gz IXVAIEGUAFDCFV-UHFFFAOYSA-N -1 1 393.363 1.850 20 5 GDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000833625606 605093253 /nfs/dbraw/zinc/09/32/53/605093253.db2.gz WTGQBIKDGLIYRP-LRDDRELGSA-N -1 1 390.396 1.095 20 5 GDBDMM CCN1C[C@H](C)N(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000833657729 605119819 /nfs/dbraw/zinc/11/98/19/605119819.db2.gz OMQHWBAZQPLIFQ-FRRDWIJNSA-N -1 1 378.429 1.717 20 5 GDBDMM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000833785921 605329043 /nfs/dbraw/zinc/32/90/43/605329043.db2.gz FFSDAENZKKJDGA-UHFFFAOYSA-N -1 1 393.333 1.425 20 5 GDBDMM C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833608912 605394889 /nfs/dbraw/zinc/39/48/89/605394889.db2.gz CKOQOEGJHVLQFT-RYUDHWBXSA-N -1 1 385.442 1.834 20 5 GDBDMM O=C([O-])N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)CC1 ZINC000834117352 605544082 /nfs/dbraw/zinc/54/40/82/605544082.db2.gz XGUBGAGSIMEIFH-ZDUSSCGKSA-N -1 1 392.412 1.335 20 5 GDBDMM Cc1nsc(N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000822530592 606238133 /nfs/dbraw/zinc/23/81/33/606238133.db2.gz IZFXGGTULTWWIP-UHFFFAOYSA-N -1 1 375.370 1.582 20 5 GDBDMM Cc1nsc(N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000822530592 606238135 /nfs/dbraw/zinc/23/81/35/606238135.db2.gz IZFXGGTULTWWIP-UHFFFAOYSA-N -1 1 375.370 1.582 20 5 GDBDMM COc1cc(OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1[N+](=O)[O-] ZINC000821727747 606295200 /nfs/dbraw/zinc/29/52/00/606295200.db2.gz NXRVEEIQKFCOKL-UHFFFAOYSA-N -1 1 386.324 1.507 20 5 GDBDMM O=C(c1ccccc1)N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000823493491 606644204 /nfs/dbraw/zinc/64/42/04/606644204.db2.gz OLRJVKKMFZVICV-UHFFFAOYSA-N -1 1 379.380 1.737 20 5 GDBDMM CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000819933531 606644655 /nfs/dbraw/zinc/64/46/55/606644655.db2.gz VHXPVTZSHWZGNI-UHFFFAOYSA-N -1 1 375.389 1.832 20 5 GDBDMM COc1ccc(OC)c([C@@H](O)CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC000821842100 606644788 /nfs/dbraw/zinc/64/47/88/606644788.db2.gz OKMJWWHUFYNMSM-HNNXBMFYSA-N -1 1 386.368 1.938 20 5 GDBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000823435806 606649195 /nfs/dbraw/zinc/64/91/95/606649195.db2.gz AKHQFXCNFCUGIG-UHFFFAOYSA-N -1 1 392.335 1.713 20 5 GDBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000823435806 606649196 /nfs/dbraw/zinc/64/91/96/606649196.db2.gz AKHQFXCNFCUGIG-UHFFFAOYSA-N -1 1 392.335 1.713 20 5 GDBDMM CCS(=O)(=O)Nc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821447779 606699034 /nfs/dbraw/zinc/69/90/34/606699034.db2.gz KWQMWZJYASQHTD-UHFFFAOYSA-N -1 1 390.385 1.675 20 5 GDBDMM CCS(=O)(=O)Nc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821447779 606699037 /nfs/dbraw/zinc/69/90/37/606699037.db2.gz KWQMWZJYASQHTD-UHFFFAOYSA-N -1 1 390.385 1.675 20 5 GDBDMM O=C(c1ccncc1)N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823498742 606703898 /nfs/dbraw/zinc/70/38/98/606703898.db2.gz ZTVIVMXLXHZABS-UHFFFAOYSA-N -1 1 395.383 1.282 20 5 GDBDMM O=C(c1ccncc1)N1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823498742 606703901 /nfs/dbraw/zinc/70/39/01/606703901.db2.gz ZTVIVMXLXHZABS-UHFFFAOYSA-N -1 1 395.383 1.282 20 5 GDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000823620711 606705830 /nfs/dbraw/zinc/70/58/30/606705830.db2.gz OPWIOAWVQGWXKK-SNVBAGLBSA-N -1 1 385.344 1.008 20 5 GDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000823620711 606705831 /nfs/dbraw/zinc/70/58/31/606705831.db2.gz OPWIOAWVQGWXKK-SNVBAGLBSA-N -1 1 385.344 1.008 20 5 GDBDMM COC(=O)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Cc1cccc(C)c1 ZINC000821640463 606707868 /nfs/dbraw/zinc/70/78/68/606707868.db2.gz IVLCYSMMADULQQ-ZDUSSCGKSA-N -1 1 397.395 1.922 20 5 GDBDMM COC(=O)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Cc1cccc(C)c1 ZINC000821640463 606707870 /nfs/dbraw/zinc/70/78/70/606707870.db2.gz IVLCYSMMADULQQ-ZDUSSCGKSA-N -1 1 397.395 1.922 20 5 GDBDMM NC(=O)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000822850789 606708371 /nfs/dbraw/zinc/70/83/71/606708371.db2.gz QLLQASWESMWZRR-SNVBAGLBSA-N -1 1 386.347 1.065 20 5 GDBDMM NC(=O)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000822850789 606708372 /nfs/dbraw/zinc/70/83/72/606708372.db2.gz QLLQASWESMWZRR-SNVBAGLBSA-N -1 1 386.347 1.065 20 5 GDBDMM Cc1ccc(N2CCC[C@@H](N(C)c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)nn1 ZINC000822241189 606708700 /nfs/dbraw/zinc/70/87/00/606708700.db2.gz NQOYEQZABRPZDK-GFCCVEGCSA-N -1 1 396.415 1.374 20 5 GDBDMM Cc1ccc(N2CCC[C@@H](N(C)c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)nn1 ZINC000822241189 606708702 /nfs/dbraw/zinc/70/87/02/606708702.db2.gz NQOYEQZABRPZDK-GFCCVEGCSA-N -1 1 396.415 1.374 20 5 GDBDMM CN(C)C(=O)c1cccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821579626 606712190 /nfs/dbraw/zinc/71/21/90/606712190.db2.gz ITDATAHHFMJBRA-UHFFFAOYSA-N -1 1 382.384 1.526 20 5 GDBDMM CN(C)C(=O)c1cccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821579626 606712191 /nfs/dbraw/zinc/71/21/91/606712191.db2.gz ITDATAHHFMJBRA-UHFFFAOYSA-N -1 1 382.384 1.526 20 5 GDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1-c1nn[n-]n1 ZINC000823647192 606731844 /nfs/dbraw/zinc/73/18/44/606731844.db2.gz HRMBNLHVPVFKNR-UHFFFAOYSA-N -1 1 392.422 1.583 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000820804265 606780506 /nfs/dbraw/zinc/78/05/06/606780506.db2.gz PDOAFNKPTPATPA-LBPRGKRZSA-N -1 1 381.400 1.276 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000820803686 606808621 /nfs/dbraw/zinc/80/86/21/606808621.db2.gz FFQHCEBLLOVQQW-JTQLQIEISA-N -1 1 385.363 1.419 20 5 GDBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000820803686 606808622 /nfs/dbraw/zinc/80/86/22/606808622.db2.gz FFQHCEBLLOVQQW-JTQLQIEISA-N -1 1 385.363 1.419 20 5 GDBDMM CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821615576 606842897 /nfs/dbraw/zinc/84/28/97/606842897.db2.gz CVDSYLKVMOABNW-UHFFFAOYSA-N -1 1 392.372 1.735 20 5 GDBDMM COc1cccc([C@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCO2)c1 ZINC000821863940 607040278 /nfs/dbraw/zinc/04/02/78/607040278.db2.gz RNZNFRBZNSAHTC-CQSZACIVSA-N -1 1 383.368 1.756 20 5 GDBDMM COc1cccc([C@H]2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCO2)c1 ZINC000821863940 607040279 /nfs/dbraw/zinc/04/02/79/607040279.db2.gz RNZNFRBZNSAHTC-CQSZACIVSA-N -1 1 383.368 1.756 20 5 GDBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000823387676 607154119 /nfs/dbraw/zinc/15/41/19/607154119.db2.gz UGMSSMXKFXTQFB-UHFFFAOYSA-N -1 1 390.337 1.274 20 5 GDBDMM CCN1C[C@@H](CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])Oc2ccccc21 ZINC000821241466 607164196 /nfs/dbraw/zinc/16/41/96/607164196.db2.gz NOTJLUVMTDQLLE-GFCCVEGCSA-N -1 1 396.411 1.894 20 5 GDBDMM CCN1C[C@@H](CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])Oc2ccccc21 ZINC000821241466 607164197 /nfs/dbraw/zinc/16/41/97/607164197.db2.gz NOTJLUVMTDQLLE-GFCCVEGCSA-N -1 1 396.411 1.894 20 5 GDBDMM O=[N+]([O-])c1ccccc1N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823646842 607164393 /nfs/dbraw/zinc/16/43/93/607164393.db2.gz BCISOGLAGKHITH-UHFFFAOYSA-N -1 1 397.355 1.405 20 5 GDBDMM O=[N+]([O-])c1ccccc1N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823646842 607164394 /nfs/dbraw/zinc/16/43/94/607164394.db2.gz BCISOGLAGKHITH-UHFFFAOYSA-N -1 1 397.355 1.405 20 5 GDBDMM CCOC(=O)N[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC(C)C ZINC000821334515 607167285 /nfs/dbraw/zinc/16/72/85/607167285.db2.gz MNRWIVZGNFEWSL-JTQLQIEISA-N -1 1 378.393 1.743 20 5 GDBDMM CCOC(=O)N[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC(C)C ZINC000821334515 607167286 /nfs/dbraw/zinc/16/72/86/607167286.db2.gz MNRWIVZGNFEWSL-JTQLQIEISA-N -1 1 378.393 1.743 20 5 GDBDMM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826366749 609313648 /nfs/dbraw/zinc/31/36/48/609313648.db2.gz VXJPGIGSFCVVTB-UHFFFAOYSA-N -1 1 398.318 1.086 20 5 GDBDMM O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826498419 609561378 /nfs/dbraw/zinc/56/13/78/609561378.db2.gz UAUZPDODIWXSKY-UHFFFAOYSA-N -1 1 393.356 1.865 20 5 GDBDMM O=[N+]([O-])c1ccc(CCS(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826498419 609561380 /nfs/dbraw/zinc/56/13/80/609561380.db2.gz UAUZPDODIWXSKY-UHFFFAOYSA-N -1 1 393.356 1.865 20 5 GDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000544595805 650441308 /nfs/dbraw/zinc/44/13/08/650441308.db2.gz FWCBFBRDRWRACY-SNVBAGLBSA-N -1 1 375.765 1.794 20 5 GDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CN(C)CCN1C ZINC000919990933 660261999 /nfs/dbraw/zinc/26/19/99/660261999.db2.gz SJPMFQWPNFRONS-RNCFNFMXSA-N -1 1 394.856 1.300 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C[S@](C)=O)cc2)c([N+](=O)[O-])n1 ZINC000510720271 648338649 /nfs/dbraw/zinc/33/86/49/648338649.db2.gz RFOZFCSGHOBDBJ-DEOSSOPVSA-N -1 1 386.455 1.168 20 5 GDBDMM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000594799046 652366735 /nfs/dbraw/zinc/36/67/35/652366735.db2.gz HZFOQDSCEBATCD-GFCCVEGCSA-N -1 1 378.834 1.968 20 5 GDBDMM O=C([O-])CC[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000596034509 652435239 /nfs/dbraw/zinc/43/52/39/652435239.db2.gz HELQBQCYAROWTG-ZCFIWIBFSA-N -1 1 376.334 1.978 20 5 GDBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000776436965 654689571 /nfs/dbraw/zinc/68/95/71/654689571.db2.gz FNNRYNZSDNCVFQ-JTQLQIEISA-N -1 1 388.789 1.254 20 5 GDBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])NCc1ccccc1 ZINC000725822380 654842848 /nfs/dbraw/zinc/84/28/48/654842848.db2.gz ZMDDBFHQUZCYFM-UHFFFAOYSA-N -1 1 383.813 1.843 20 5 GDBDMM CCCOC(=O)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000751252333 654879428 /nfs/dbraw/zinc/87/94/28/654879428.db2.gz NARMQQIDZKLWPH-UHFFFAOYSA-N -1 1 395.231 1.979 20 5 GDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1nnc2ccccn21 ZINC000751256525 654879843 /nfs/dbraw/zinc/87/98/43/654879843.db2.gz XJUXZTCEQDXHEK-UHFFFAOYSA-N -1 1 381.801 1.812 20 5 GDBDMM Cc1ncsc1[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000787318446 654963419 /nfs/dbraw/zinc/96/34/19/654963419.db2.gz FCNUTSGDAQWQTE-VIFPVBQESA-N -1 1 375.359 1.603 20 5 GDBDMM CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832066638 655008186 /nfs/dbraw/zinc/00/81/86/655008186.db2.gz LHRNPZOCGRMXTO-PRHODGIISA-N -1 1 382.797 1.717 20 5 GDBDMM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805138269 655028733 /nfs/dbraw/zinc/02/87/33/655028733.db2.gz PLDLRDOFVGDZDW-MRVPVSSYSA-N -1 1 385.167 1.147 20 5 GDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)c(Cl)cc1Cl ZINC000791421708 655071379 /nfs/dbraw/zinc/07/13/79/655071379.db2.gz CEPCFTVZRWXACI-ZDUSSCGKSA-N -1 1 399.252 1.969 20 5 GDBDMM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000808328864 655106339 /nfs/dbraw/zinc/10/63/39/655106339.db2.gz XJFQCDQMHLOSED-VIFPVBQESA-N -1 1 381.863 1.394 20 5 GDBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)OC ZINC000795879590 655193279 /nfs/dbraw/zinc/19/32/79/655193279.db2.gz DZMPOLKEHSICCO-QMMMGPOBSA-N -1 1 399.194 1.726 20 5 GDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@](C)(O)c2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000765171103 655232689 /nfs/dbraw/zinc/23/26/89/655232689.db2.gz XZEOXPQGUAPADD-CQSZACIVSA-N -1 1 388.833 1.651 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1nnc2n1CCC2 ZINC000814997610 655276961 /nfs/dbraw/zinc/27/69/61/655276961.db2.gz WQDVFZHSFFRSEX-UHFFFAOYSA-N -1 1 389.796 1.446 20 5 GDBDMM COC(=O)N1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814999686 655276995 /nfs/dbraw/zinc/27/69/95/655276995.db2.gz KKSWHQXACHDHCC-UHFFFAOYSA-N -1 1 395.796 1.896 20 5 GDBDMM C[C@@H]1COCCN1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815009251 655277358 /nfs/dbraw/zinc/27/73/58/655277358.db2.gz CDMWBKZVWBLOHF-SECBINFHSA-N -1 1 381.813 1.386 20 5 GDBDMM O=C1CCC(=O)N1CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815011601 655277778 /nfs/dbraw/zinc/27/77/78/655277778.db2.gz SOEGGBBGIWNPGC-UHFFFAOYSA-N -1 1 393.780 1.205 20 5 GDBDMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl)N(C)C ZINC000798833686 655278867 /nfs/dbraw/zinc/27/88/67/655278867.db2.gz KXVSIWBWDVCCCC-GFCCVEGCSA-N -1 1 378.838 1.222 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](CO)[C@H]1CCOC1 ZINC000815042172 655283073 /nfs/dbraw/zinc/28/30/73/655283073.db2.gz KGNNEYDZKKSORS-DTWKUNHWSA-N -1 1 382.797 1.311 20 5 GDBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000815042577 655283090 /nfs/dbraw/zinc/28/30/90/655283090.db2.gz MFSCNJJKSOQXEN-PWSUYJOCSA-N -1 1 382.797 1.860 20 5 GDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](CO)[C@H]2CCCOC2)cc1Cl ZINC000841559883 655346923 /nfs/dbraw/zinc/34/69/23/655346923.db2.gz ISJMOHZBOHAUAY-KWQFWETISA-N -1 1 382.797 1.453 20 5 GDBDMM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000841573817 655350623 /nfs/dbraw/zinc/35/06/23/655350623.db2.gz QPORMVOVWOBXMQ-JCJUMFQOSA-N -1 1 383.195 1.688 20 5 GDBDMM CCn1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000849443723 655536526 /nfs/dbraw/zinc/53/65/26/655536526.db2.gz KAAWCROBRCZMDA-UHFFFAOYSA-N -1 1 390.219 1.447 20 5 GDBDMM