smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC)n1 ZINC001164697357 719845370 /nfs/dbraw/zinc/84/53/70/719845370.db2.gz CTUGWHXOURPAQX-FZKQIMNGSA-N 0 0 394.428 1.231 20 5 GDBDRN CNC(=O)CN1CCOC[C@]2(CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164720230 720215007 /nfs/dbraw/zinc/21/50/07/720215007.db2.gz XHFUICBMIJGXIS-QGZVFWFLSA-N 0 0 397.863 1.308 20 5 GDBDRN CCOC(=O)C[C@H]1C(=O)NCCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001165034172 721874329 /nfs/dbraw/zinc/87/43/29/721874329.db2.gz GOQKHBKERSOZSD-VIFPVBQESA-N 0 0 392.746 1.446 20 5 GDBDRN CC1(C)CN=C(N2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)S1 ZINC000820607601 945498935 /nfs/dbraw/zinc/49/89/35/945498935.db2.gz WVOUFMABHOQBFB-UHFFFAOYSA-N 0 0 388.457 1.778 20 5 GDBDRN O=C(c1cc(-c2nn[nH]n2)cs1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000823467121 946434402 /nfs/dbraw/zinc/43/44/02/946434402.db2.gz SDPAIZVTWBUSBS-JTQLQIEISA-N 0 0 386.397 1.558 20 5 GDBDRN C[C@H](O)C[C@H](C)Nc1cc(N[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC000824699450 946902985 /nfs/dbraw/zinc/90/29/85/946902985.db2.gz SWICYVHLKFUAJX-BJDJZHNGSA-N 0 0 393.448 1.918 20 5 GDBDRN Cn1ccnc1CN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1=O ZINC000826364148 948139490 /nfs/dbraw/zinc/13/94/90/948139490.db2.gz MLRYSRVIBXPVPS-AWEZNQCLSA-N 0 0 397.399 1.112 20 5 GDBDRN O=C(OCc1cc(F)ccc1-c1nn[nH]n1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826464823 948358929 /nfs/dbraw/zinc/35/89/29/948358929.db2.gz NSIKWYHKGVFJFH-UHFFFAOYSA-N 0 0 387.283 2.000 20 5 GDBDRN CC(F)(F)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001575229659 948854824 /nfs/dbraw/zinc/85/48/24/948854824.db2.gz PPDWKACMTAXBAO-DTORHVGOSA-N 0 0 381.343 1.879 20 5 GDBDRN CC(C)(C)OC(=O)N1C[C@@H](Nc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CO1 ZINC001573857711 950412692 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/nfs/dbraw/zinc/97/01/50/982970150.db2.gz OLUDWBMFXJUSSA-SFHVURJKSA-N 0 0 379.413 1.355 20 5 GDBDRN CC[NH+]1CCN(CCC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1 ZINC001596436715 984123914 /nfs/dbraw/zinc/12/39/14/984123914.db2.gz OJTWHFIZVNVMBH-GOSISDBHSA-N 0 0 378.429 1.038 20 5 GDBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-] ZINC001589000757 984941690 /nfs/dbraw/zinc/94/16/90/984941690.db2.gz DDTDVMDLCHIWQV-SQFISAMPSA-N 0 0 390.440 1.159 20 5 GDBDRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC001589627470 987520309 /nfs/dbraw/zinc/52/03/09/987520309.db2.gz ANMBQKSEMYINBM-UHFFFAOYSA-N 0 0 393.396 1.377 20 5 GDBDRN C[NH+](C)[C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])C[C@H]2C1 ZINC001598185609 990761280 /nfs/dbraw/zinc/76/12/80/990761280.db2.gz GIZSCUOIRCYZDK-JHJVBQTASA-N 0 0 397.453 1.644 20 5 GDBDRN CS(=O)(=O)[C@H]1C[C@]1(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001599763519 992154347 /nfs/dbraw/zinc/15/43/47/992154347.db2.gz IPASNWWCTFHAIA-WCQYABFASA-N 0 0 396.343 1.591 20 5 GDBDRN C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C(=O)[O-])C2)C1 ZINC001598598563 993541492 /nfs/dbraw/zinc/54/14/92/993541492.db2.gz PODCMAWFOUARTM-MRXNPFEDSA-N 0 0 383.426 1.399 20 5 GDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001599622644 994105964 /nfs/dbraw/zinc/10/59/64/994105964.db2.gz XLHZOABESHPRAQ-GXTWGEPZSA-N 0 0 381.385 1.544 20 5 GDBDRN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001599241659 998054853 /nfs/dbraw/zinc/05/48/53/998054853.db2.gz DATVVARMQOUDDB-JSGCOSHPSA-N 0 0 379.413 1.656 20 5 GDBDRN COc1ccc(CSCC(=O)N2CCC[NH2+]C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599576071 998444940 /nfs/dbraw/zinc/44/49/40/998444940.db2.gz VPRAOSUDSYCBCH-ZDUSSCGKSA-N 0 0 383.426 1.112 20 5 GDBDRN CN1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1=O ZINC000160089375 530548880 /nfs/dbraw/zinc/54/88/80/530548880.db2.gz QFZYHHDVWMEYCZ-VIFPVBQESA-N 0 0 392.231 1.256 20 5 GDBDRN CC(C)(O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000160824946 530555202 /nfs/dbraw/zinc/55/52/02/530555202.db2.gz IMCQKFPSLURPKB-UHFFFAOYSA-N 0 0 377.850 1.325 20 5 GDBDRN O=c1ccc([N+](=O)[O-])cn1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000018263151 530566975 /nfs/dbraw/zinc/56/69/75/530566975.db2.gz PMOHNBNVDRDUIG-UHFFFAOYSA-N 0 0 377.154 1.575 20 5 GDBDRN CCNC(=O)CN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162716941 530570132 /nfs/dbraw/zinc/57/01/32/530570132.db2.gz AEZUEFSNQSWAJJ-UHFFFAOYSA-N 0 0 383.348 1.760 20 5 GDBDRN CCCN(CC(=O)NC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162922861 530571759 /nfs/dbraw/zinc/57/17/59/530571759.db2.gz GNDVJCZBDMGHQU-UHFFFAOYSA-N 0 0 383.348 1.760 20 5 GDBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2cccs2)CC1 ZINC000022812601 530573299 /nfs/dbraw/zinc/57/32/99/530573299.db2.gz HPDOKAFITKVFID-UHFFFAOYSA-N 0 0 382.467 1.626 20 5 GDBDRN O=c1c([N+](=O)[O-])cccn1Cc1nnnn1-c1ccccc1Br ZINC000170783353 530589131 /nfs/dbraw/zinc/58/91/31/530589131.db2.gz AKZPKJWODWRGBO-UHFFFAOYSA-N 0 0 377.158 1.543 20 5 GDBDRN CNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000029044987 530594011 /nfs/dbraw/zinc/59/40/11/530594011.db2.gz SYTVHFINAHUJJL-UHFFFAOYSA-N 0 0 385.423 1.612 20 5 GDBDRN NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000172036263 530607358 /nfs/dbraw/zinc/60/73/58/530607358.db2.gz FGFSVDKKSAJZSQ-UHFFFAOYSA-N 0 0 389.842 1.816 20 5 GDBDRN C[C@@H](C[S@](C)=O)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000168105728 530584910 /nfs/dbraw/zinc/58/49/10/530584910.db2.gz RPDWETVCPSQGOI-ZDVLTJLQSA-N 0 0 385.261 1.403 20 5 GDBDRN Cc1nsc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 ZINC000173509711 530631641 /nfs/dbraw/zinc/63/16/41/530631641.db2.gz CERPXORTTNSNCR-UHFFFAOYSA-N 0 0 375.457 1.327 20 5 GDBDRN CS(=O)(=O)c1cccc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000044325336 530638557 /nfs/dbraw/zinc/63/85/57/530638557.db2.gz 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O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1csc([N+](=O)[O-])c1 ZINC000176034657 530675768 /nfs/dbraw/zinc/67/57/68/530675768.db2.gz HMAFXWXEBHPZKU-UHFFFAOYSA-N 0 0 387.361 1.700 20 5 GDBDRN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000050292963 530676210 /nfs/dbraw/zinc/67/62/10/530676210.db2.gz KGEZYSVVPUQNLS-LBPRGKRZSA-N 0 0 381.435 1.977 20 5 GDBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C(=O)OC ZINC000176183491 530678008 /nfs/dbraw/zinc/67/80/08/530678008.db2.gz NLCRRKWFBFXFBG-JTQLQIEISA-N 0 0 392.149 1.881 20 5 GDBDRN NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000051137675 530677980 /nfs/dbraw/zinc/67/79/80/530677980.db2.gz ZNCAMDRNBDTOMH-ZDUSSCGKSA-N 0 0 383.813 1.623 20 5 GDBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1nc[nH]n1 ZINC000176738715 530690319 /nfs/dbraw/zinc/69/03/19/530690319.db2.gz QDVWNYNSRBLBCP-ZCFIWIBFSA-N 0 0 387.137 1.809 20 5 GDBDRN CC(C)OCCOC[C@H](O)CN(C)c1ncc([N+](=O)[O-])cc1Br ZINC000177544561 530705513 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387.845 1.846 20 5 GDBDRN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181062754 530777398 /nfs/dbraw/zinc/77/73/98/530777398.db2.gz UOAQBISTHXLRCN-CYBMUJFWSA-N 0 0 382.218 1.712 20 5 GDBDRN CC(C)CS(=O)(=O)N1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000181554178 530786484 /nfs/dbraw/zinc/78/64/84/530786484.db2.gz LRRUWGMAJAYLIP-UHFFFAOYSA-N 0 0 375.472 1.836 20 5 GDBDRN CCC[C@H](O)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000184670904 530830653 /nfs/dbraw/zinc/83/06/53/530830653.db2.gz BWZJYABLBJNYKT-VIFPVBQESA-N 0 0 388.218 1.881 20 5 GDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000103036559 530832372 /nfs/dbraw/zinc/83/23/72/530832372.db2.gz WWWOFTQKMGAGFM-LBPRGKRZSA-N 0 0 394.229 1.949 20 5 GDBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCC[C@@H]1O ZINC000091323685 530809644 /nfs/dbraw/zinc/80/96/44/530809644.db2.gz FZAMOISVIKIWSY-KCJUWKMLSA-N 0 0 379.232 1.797 20 5 GDBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC1(CO)CCC1 ZINC000183307872 530813345 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CC[C@@H]1C(=O)NCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000301600747 532036960 /nfs/dbraw/zinc/03/69/60/532036960.db2.gz VCHODQVUNBUFNA-SECBINFHSA-N 0 0 381.332 1.603 20 5 GDBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCC(F)(F)CO ZINC000302232780 532046383 /nfs/dbraw/zinc/04/63/83/532046383.db2.gz ZHAYYZOUKWYBMO-UHFFFAOYSA-N 0 0 379.385 1.809 20 5 GDBDRN C[C@H]1C(=O)N(C)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000302443733 532046588 /nfs/dbraw/zinc/04/65/88/532046588.db2.gz QZCWUMPKTJBQOD-QMMMGPOBSA-N 0 0 381.332 1.555 20 5 GDBDRN CCC1(CC)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[S@]1=O ZINC000302233972 532047037 /nfs/dbraw/zinc/04/70/37/532047037.db2.gz ZLVFRIATYYMOPC-HSZRJFAPSA-N 0 0 375.472 1.370 20 5 GDBDRN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420728366 532047946 /nfs/dbraw/zinc/04/79/46/532047946.db2.gz PKDNUMJYBYPPLI-MRVPVSSYSA-N 0 0 392.231 1.114 20 5 GDBDRN O=[N+]([O-])c1cc(I)ccc1N1CCC[C@@](O)(CO)C1 ZINC000313681562 532056365 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Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)cc1[N+](=O)[O-] ZINC000822229121 606435774 /nfs/dbraw/zinc/43/57/74/606435774.db2.gz MZIJOSAMTOPPSR-JTQLQIEISA-N 0 0 389.397 1.518 20 5 GDBDRN COCc1cc([N+](=O)[O-])ccc1N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000821695426 606443475 /nfs/dbraw/zinc/44/34/75/606443475.db2.gz YUTRGOWBJODLPC-UHFFFAOYSA-N 0 0 387.404 1.296 20 5 GDBDRN CN(C)C(=O)[C@@H]1CCCN1c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821575742 606444484 /nfs/dbraw/zinc/44/44/84/606444484.db2.gz NUGGMSAWTLPOFA-AWEZNQCLSA-N 0 0 382.384 1.380 20 5 GDBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000822229146 606459210 /nfs/dbraw/zinc/45/92/10/606459210.db2.gz NUPUAQSEVLBDAO-NSHDSACASA-N 0 0 395.379 1.899 20 5 GDBDRN CS(=O)(=O)NCC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821936479 606481235 /nfs/dbraw/zinc/48/12/35/606481235.db2.gz AXFFPCQHUZPFDA-LLVKDONJSA-N 0 0 395.445 1.073 20 5 GDBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1ccnc(-c2nn[nH]n2)c1 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/nfs/dbraw/zinc/78/34/91/606783491.db2.gz VYKPIHKRRXGJBF-LLVKDONJSA-N 0 0 399.390 1.415 20 5 GDBDRN Cc1oc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cn2)c(-c2nn[nH]n2)c1C ZINC000822547996 606796546 /nfs/dbraw/zinc/79/65/46/606796546.db2.gz DLBXCHHZAQLJJV-UHFFFAOYSA-N 0 0 387.312 1.175 20 5 GDBDRN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000823487331 606803789 /nfs/dbraw/zinc/80/37/89/606803789.db2.gz AWDBAVOJDABBOS-UHFFFAOYSA-N 0 0 398.358 1.271 20 5 GDBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000823488886 606865028 /nfs/dbraw/zinc/86/50/28/606865028.db2.gz XKXDRGIODIUHBW-UHFFFAOYSA-N 0 0 397.370 1.876 20 5 GDBDRN Cc1occc1-c1nnc(Sc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])n1N ZINC000822553147 607028349 /nfs/dbraw/zinc/02/83/49/607028349.db2.gz JCDKUMYQPVUQOP-UHFFFAOYSA-N 0 0 386.357 1.195 20 5 GDBDRN COc1cc(S(=O)(=O)Oc2ccc(-c3nn[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000821727106 607048111 /nfs/dbraw/zinc/04/81/11/607048111.db2.gz CANLUCDREFLRLW-UHFFFAOYSA-N 0 0 377.338 1.551 20 5 GDBDRN Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NCCn1cc([N+](=O)[O-])cn1 ZINC000822204208 607175872 /nfs/dbraw/zinc/17/58/72/607175872.db2.gz HYESEFQTTILYNP-UHFFFAOYSA-N 0 0 383.347 1.501 20 5 GDBDRN O=[N+]([O-])c1cccc(OC[C@H](O)COc2cccc(F)c2-c2nn[nH]n2)c1 ZINC000826499779 607874806 /nfs/dbraw/zinc/87/48/06/607874806.db2.gz XDPMSNQYDAMTQY-NSHDSACASA-N 0 0 375.316 1.733 20 5 GDBDRN O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826438986 607979858 /nfs/dbraw/zinc/97/98/58/607979858.db2.gz ZRAKNOJSSGBJKS-UHFFFAOYSA-N 0 0 397.395 1.696 20 5 GDBDRN Cc1cc(S(=O)(=O)Oc2cccc(-c3nn[nH]n3)c2)cc([N+](=O)[O-])c1F ZINC000826272633 608001686 /nfs/dbraw/zinc/00/16/86/608001686.db2.gz UDCNYCUOJVOJNV-UHFFFAOYSA-N 0 0 379.329 1.990 20 5 GDBDRN O=[N+]([O-])c1cccc(OS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC000826499822 608002185 /nfs/dbraw/zinc/00/21/85/608002185.db2.gz ZASQUCHEWIGXQI-UHFFFAOYSA-N 0 0 379.329 1.823 20 5 GDBDRN O=C(COC1CCOCC1)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826416541 608163454 /nfs/dbraw/zinc/16/34/54/608163454.db2.gz DEDSZFUFFUOQEH-UHFFFAOYSA-N 0 0 382.764 1.562 20 5 GDBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3snc(Cl)c3-c3nn[nH]n3)C2)nc1 ZINC000826498843 608193343 /nfs/dbraw/zinc/19/33/43/608193343.db2.gz LUFNGNHFLPQHNM-SSDOTTSWSA-N 0 0 393.820 1.971 20 5 GDBDRN O=C(NCc1cccc(-c2nn[nH]n2)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000826442883 608214446 /nfs/dbraw/zinc/21/44/46/608214446.db2.gz ODSSLRGBZCQTPD-UHFFFAOYSA-N 0 0 382.365 1.710 20 5 GDBDRN Cc1nn(C)c(C)c1[C@H]1COCCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826333552 608241462 /nfs/dbraw/zinc/24/14/62/608241462.db2.gz MANDSQVPCRIFNT-OAHLLOKOSA-N 0 0 384.400 1.703 20 5 GDBDRN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826501471 608405725 /nfs/dbraw/zinc/40/57/25/608405725.db2.gz RTEKYDFVUMCLHW-UHFFFAOYSA-N 0 0 395.148 1.887 20 5 GDBDRN Cc1nn(C)c(NCc2nc(-c3cccc(-c4nn[nH]n4)c3)c[nH]2)c1[N+](=O)[O-] ZINC000826334507 608410179 /nfs/dbraw/zinc/41/01/79/608410179.db2.gz XZQZYNKGNYGZRY-UHFFFAOYSA-N 0 0 380.372 1.819 20 5 GDBDRN Cc1nn(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826334941 609533615 /nfs/dbraw/zinc/53/36/15/609533615.db2.gz PZDNLQMXFKQWSU-UHFFFAOYSA-N 0 0 384.400 1.781 20 5 GDBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1OS(=O)(=O)Cc1ccc(F)cc1F ZINC000826497776 609544232 /nfs/dbraw/zinc/54/42/32/609544232.db2.gz UIOSERRTHWQPHA-UHFFFAOYSA-N 0 0 397.319 1.962 20 5 GDBDRN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000532970346 650038908 /nfs/dbraw/zinc/03/89/08/650038908.db2.gz HRJFNYLDHCRGPN-SNVBAGLBSA-N 0 0 375.834 1.553 20 5 GDBDRN CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)c([N+](=O)[O-])n1 ZINC000533632526 650211186 /nfs/dbraw/zinc/21/11/86/650211186.db2.gz KXECAKRZGLIZEX-HFXCSBFXSA-N 0 0 378.476 1.169 20 5 GDBDRN O=C(N[C@H]1CC[S@](=O)C1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000535735328 650254790 /nfs/dbraw/zinc/25/47/90/650254790.db2.gz CHGFGOGGHFBUNS-UGZDLDLSSA-N 0 0 394.190 1.450 20 5 GDBDRN C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000536687387 650277679 /nfs/dbraw/zinc/27/76/79/650277679.db2.gz HNGCSCGGHUWYQV-WCBMZHEXSA-N 0 0 395.231 1.128 20 5 GDBDRN CN(C)C(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000537029497 650286249 /nfs/dbraw/zinc/28/62/49/650286249.db2.gz YQULLDJLTVLKKB-ZYHUDNBSSA-N 0 0 391.833 1.162 20 5 GDBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000538042842 650303800 /nfs/dbraw/zinc/30/38/00/650303800.db2.gz NDKYUZWOMKBSQJ-RNCFNFMXSA-N 0 0 398.217 1.841 20 5 GDBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCC(F)(F)C1 ZINC000540677745 650367737 /nfs/dbraw/zinc/36/77/37/650367737.db2.gz UODGVJHNIGZICS-SECBINFHSA-N 0 0 377.369 1.907 20 5 GDBDRN CCn1cc(S(=O)(=O)N[C@@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])n1 ZINC000541760740 650389751 /nfs/dbraw/zinc/38/97/51/650389751.db2.gz MXVZYDQGHQMKMG-JTQLQIEISA-N 0 0 392.796 1.616 20 5 GDBDRN CS(=O)(=O)[C@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000542973478 650416178 /nfs/dbraw/zinc/41/61/78/650416178.db2.gz HCJNSHJENHLUTL-KOLCDFICSA-N 0 0 377.444 1.010 20 5 GDBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCCS2(=O)=O)c1C ZINC000544103919 650434914 /nfs/dbraw/zinc/43/49/14/650434914.db2.gz CKGLFHWRKLUECJ-ZDUSSCGKSA-N 0 0 376.456 1.457 20 5 GDBDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000545227900 650452552 /nfs/dbraw/zinc/45/25/52/650452552.db2.gz XQHAXEDSRBBTRQ-LBPRGKRZSA-N 0 0 390.849 1.471 20 5 GDBDRN CS(=O)(=O)Cc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000546173709 650473384 /nfs/dbraw/zinc/47/33/84/650473384.db2.gz ZVKMWJNAQRCMAJ-UHFFFAOYSA-N 0 0 384.435 1.618 20 5 GDBDRN O=C(NC1CC1)[C@H](O)C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000548673448 650560155 /nfs/dbraw/zinc/56/01/55/650560155.db2.gz SLTHLTPJOKHDLQ-CYBMUJFWSA-N 0 0 399.245 1.608 20 5 GDBDRN Cc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)sc1S(N)(=O)=O ZINC000549196795 650572075 /nfs/dbraw/zinc/57/20/75/650572075.db2.gz KMFLHORMZXQMIW-UHFFFAOYSA-N 0 0 383.455 1.334 20 5 GDBDRN CC(C)[C@@H](O)CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551496047 650607730 /nfs/dbraw/zinc/60/77/30/650607730.db2.gz MDWPRUCPEPIQSG-LBPRGKRZSA-N 0 0 388.218 1.819 20 5 GDBDRN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000551992003 650616038 /nfs/dbraw/zinc/61/60/38/650616038.db2.gz CCULZVPJAHBVER-LLVKDONJSA-N 0 0 384.801 1.018 20 5 GDBDRN CCCN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000553874030 650662173 /nfs/dbraw/zinc/66/21/73/650662173.db2.gz XAUIVMJFNSMPAM-UHFFFAOYSA-N 0 0 391.165 1.537 20 5 GDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000554142164 650669050 /nfs/dbraw/zinc/66/90/50/650669050.db2.gz HVWGMDFVKQLZOX-JTQLQIEISA-N 0 0 387.165 1.693 20 5 GDBDRN NS(=O)(=O)c1ccc(C(=O)NCCSc2ccccc2)cc1[N+](=O)[O-] ZINC000555540791 650692885 /nfs/dbraw/zinc/69/28/85/650692885.db2.gz XRZLSFVNFMRYNU-UHFFFAOYSA-N 0 0 381.435 1.764 20 5 GDBDRN NS(=O)(=O)c1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000555555703 650693490 /nfs/dbraw/zinc/69/34/90/650693490.db2.gz HGHRQTZHEVEMIY-UHFFFAOYSA-N 0 0 381.332 1.657 20 5 GDBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000557438520 650725804 /nfs/dbraw/zinc/72/58/04/650725804.db2.gz QFPUABMVTOCRLV-GFCCVEGCSA-N 0 0 387.483 1.813 20 5 GDBDRN CNC(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000564042225 650746243 /nfs/dbraw/zinc/74/62/43/650746243.db2.gz PYOZUPBQSOXORV-NSHDSACASA-N 0 0 390.259 1.955 20 5 GDBDRN Nc1nc(SCc2ccc(S(=O)(=O)N3CCCC3)o2)ncc1[N+](=O)[O-] ZINC000565242163 650789121 /nfs/dbraw/zinc/78/91/21/650789121.db2.gz KZTXDRVJZVSTLW-UHFFFAOYSA-N 0 0 385.427 1.637 20 5 GDBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000015650745 644243368 /nfs/dbraw/zinc/24/33/68/644243368.db2.gz QECLAXHIPSWRPM-DTWKUNHWSA-N 0 0 390.801 1.097 20 5 GDBDRN O=C(COC(=O)C[C@H]1C=CS(=O)(=O)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016417458 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ZINC000273348857 532145797 /nfs/dbraw/zinc/14/57/97/532145797.db2.gz XXXYGSAKKOPUJD-GFCCVEGCSA-N 0 0 376.481 1.333 20 5 GDBDRN C[C@@H](NS(=O)(=O)CC1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000286632872 532165553 /nfs/dbraw/zinc/16/55/53/532165553.db2.gz NHZPLEQLDCDRKG-LLVKDONJSA-N 0 0 376.456 1.400 20 5 GDBDRN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000332200226 532170449 /nfs/dbraw/zinc/17/04/49/532170449.db2.gz FLNSSGSNXYSHKY-UKRRQHHQSA-N 0 0 388.467 1.634 20 5 GDBDRN CC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000286515439 532156514 /nfs/dbraw/zinc/15/65/14/532156514.db2.gz SCZHVLIXLKBLPR-RDDDGLTNSA-N 0 0 397.222 1.888 20 5 GDBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000332220541 532172239 /nfs/dbraw/zinc/17/22/39/532172239.db2.gz MDUYDGKDARJPLF-HIFRSBDPSA-N 0 0 388.467 1.634 20 5 GDBDRN CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H](C)S1(=O)=O ZINC000286738703 532172959 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532218740 /nfs/dbraw/zinc/21/87/40/532218740.db2.gz UBEZUYJUBYWHLV-QMMMGPOBSA-N 0 0 392.231 1.256 20 5 GDBDRN CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000274289621 532201594 /nfs/dbraw/zinc/20/15/94/532201594.db2.gz DQGLCBNZOURQNR-SNVBAGLBSA-N 0 0 387.439 1.245 20 5 GDBDRN C[C@@H](O)C[C@@H]1COCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000274326311 532203527 /nfs/dbraw/zinc/20/35/27/532203527.db2.gz UZQKSOORMNVWOR-NXEZZACHSA-N 0 0 380.369 1.567 20 5 GDBDRN COC(CN(CCCO)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])OC ZINC000274751187 532231054 /nfs/dbraw/zinc/23/10/54/532231054.db2.gz HJUANFKCWBHHRU-UHFFFAOYSA-N 0 0 376.431 1.204 20 5 GDBDRN COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000376603781 532221178 /nfs/dbraw/zinc/22/11/78/532221178.db2.gz GIYNOUHXDJKIEQ-SKDRFNHKSA-N 0 0 376.362 1.075 20 5 GDBDRN COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000376613934 532221924 /nfs/dbraw/zinc/22/19/24/532221924.db2.gz BSEMTPXEIPVDAQ-ZYHUDNBSSA-N 0 0 392.817 1.589 20 5 GDBDRN COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000275037077 532256030 /nfs/dbraw/zinc/25/60/30/532256030.db2.gz DIVCQBHLJQQIQJ-NXEZZACHSA-N 0 0 375.403 1.458 20 5 GDBDRN COc1c(F)cc(S(=O)(=O)NCCN2CCSCC2)cc1[N+](=O)[O-] ZINC000275077021 532261801 /nfs/dbraw/zinc/26/18/01/532261801.db2.gz MIJKTVGTTFREIR-UHFFFAOYSA-N 0 0 379.435 1.070 20 5 GDBDRN COc1c(F)cc(S(=O)(=O)NC[C@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000275098761 532264291 /nfs/dbraw/zinc/26/42/91/532264291.db2.gz SNUVJYRZFQAQFH-AWEZNQCLSA-N 0 0 390.414 1.990 20 5 GDBDRN CS(=O)(=O)C[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000431497207 532267043 /nfs/dbraw/zinc/26/70/43/532267043.db2.gz WOISDKMQQLHJRF-SECBINFHSA-N 0 0 382.485 1.321 20 5 GDBDRN C[C@H](O)CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000275135395 532269062 /nfs/dbraw/zinc/26/90/62/532269062.db2.gz LXRQQHUHQQZPRR-VIFPVBQESA-N 0 0 390.209 1.635 20 5 GDBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCOCC(F)(F)C1 ZINC000288422700 532289254 /nfs/dbraw/zinc/28/92/54/532289254.db2.gz BATZJLVPMBDVHB-UHFFFAOYSA-N 0 0 377.731 1.472 20 5 GDBDRN COCCO[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000275806369 532310627 /nfs/dbraw/zinc/31/06/27/532310627.db2.gz KYCKFBLSEOZZEH-SNVBAGLBSA-N 0 0 380.369 1.833 20 5 GDBDRN COC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@@H](C)O1 ZINC000275854772 532312839 /nfs/dbraw/zinc/31/28/39/532312839.db2.gz IKIWOOKPFVWZSF-GHMZBOCLSA-N 0 0 378.834 1.981 20 5 GDBDRN COCCN1CN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1=O ZINC000289084667 532315181 /nfs/dbraw/zinc/31/51/81/532315181.db2.gz PZZURXOEXUSFIW-UHFFFAOYSA-N 0 0 386.202 1.554 20 5 GDBDRN COC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H](C)O1 ZINC000275944015 532315499 /nfs/dbraw/zinc/31/54/99/532315499.db2.gz SXESHBHCHOGODQ-WDEREUQCSA-N 0 0 378.834 1.981 20 5 GDBDRN C[C@@H]1OCC[C@@H]1S(=O)(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000276115584 532319972 /nfs/dbraw/zinc/31/99/72/532319972.db2.gz YCADFJHHPACSFS-UFBFGSQYSA-N 0 0 398.846 1.376 20 5 GDBDRN C[C@@H]1CN=C(N2CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)CC2)S1 ZINC000276130126 532320328 /nfs/dbraw/zinc/32/03/28/532320328.db2.gz AZTMJHIDOUJCMW-LLVKDONJSA-N 0 0 384.483 1.612 20 5 GDBDRN CCS(=O)(=O)CCCCCN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O ZINC000289292790 532320617 /nfs/dbraw/zinc/32/06/17/532320617.db2.gz AFIWJMBMCSTWCA-UHFFFAOYSA-N 0 0 390.439 1.344 20 5 GDBDRN CC1(C)SC[C@@H]1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000276226334 532323655 /nfs/dbraw/zinc/32/36/55/532323655.db2.gz JAPVTMDCSQLQCY-LBPRGKRZSA-N 0 0 388.471 1.054 20 5 GDBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)C1CC1 ZINC000276382332 532328618 /nfs/dbraw/zinc/32/86/18/532328618.db2.gz WVYOLQHVABZAGG-LLVKDONJSA-N 0 0 379.232 1.715 20 5 GDBDRN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289649336 532330141 /nfs/dbraw/zinc/33/01/41/532330141.db2.gz ZZAVPOMQPGRJKP-SECBINFHSA-N 0 0 382.225 1.801 20 5 GDBDRN CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1=O ZINC000289797259 532332278 /nfs/dbraw/zinc/33/22/78/532332278.db2.gz JBEUWEJVQJJXBV-UHFFFAOYSA-N 0 0 382.225 1.754 20 5 GDBDRN NC(=O)[C@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000290025571 532335515 /nfs/dbraw/zinc/33/55/15/532335515.db2.gz PUSXJOADFHRKCU-VIFPVBQESA-N 0 0 375.166 1.507 20 5 GDBDRN NC(=O)N1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290031760 532335773 /nfs/dbraw/zinc/33/57/73/532335773.db2.gz ZBVWBBNCIAHKSD-MRVPVSSYSA-N 0 0 394.812 1.456 20 5 GDBDRN COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000737114132 598867406 /nfs/dbraw/zinc/86/74/06/598867406.db2.gz FBYUQMDKRDFNGW-UHFFFAOYSA-N 0 0 395.328 1.690 20 5 GDBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c(F)c1 ZINC000738366601 598871525 /nfs/dbraw/zinc/87/15/25/598871525.db2.gz FXIQQKKWTDFBQQ-UHFFFAOYSA-N 0 0 383.292 1.821 20 5 GDBDRN COC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)Cc1ccc(O)cc1 ZINC000736890602 598914084 /nfs/dbraw/zinc/91/40/84/598914084.db2.gz BYAKIFAIRDKFQI-NSHDSACASA-N 0 0 399.367 1.319 20 5 GDBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821635395 599048385 /nfs/dbraw/zinc/04/83/85/599048385.db2.gz ZTQIEFZQHNCFKM-UHFFFAOYSA-N 0 0 383.368 1.625 20 5 GDBDRN NC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737567 599128080 /nfs/dbraw/zinc/12/80/80/599128080.db2.gz AHEXUXHZIULNCM-CYBMUJFWSA-N 0 0 386.299 1.297 20 5 GDBDRN C[C@@H](OC(=O)c1ccc(-c2nn[nH]n2)nc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736159880 599140597 /nfs/dbraw/zinc/14/05/97/599140597.db2.gz YONMHYVCKFFBHS-SECBINFHSA-N 0 0 383.324 1.354 20 5 GDBDRN CS[C@@H](CO)[C@@H](C)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821950270 607326482 /nfs/dbraw/zinc/32/64/82/607326482.db2.gz MBQSQYIIEWWMTI-OQPBUACISA-N 0 0 375.414 1.847 20 5 GDBDRN C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820316316 607335837 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COc1ccc(S(=O)(=O)N2CCCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000443986203 647233919 /nfs/dbraw/zinc/23/39/19/647233919.db2.gz FUARMLPAPIEFOD-LBPRGKRZSA-N 0 0 392.455 1.191 20 5 GDBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CC1(Cl)Cl ZINC000920341391 660270459 /nfs/dbraw/zinc/27/04/59/660270459.db2.gz AJVPPEDENNNUHZ-SECBINFHSA-N 0 0 396.252 1.573 20 5 GDBDRN CSCCN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000446540382 647291516 /nfs/dbraw/zinc/29/15/16/647291516.db2.gz PLEQRUMJAQQDGM-CQSZACIVSA-N 0 0 387.483 1.569 20 5 GDBDRN Cc1c(NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000455356413 647377105 /nfs/dbraw/zinc/37/71/05/647377105.db2.gz OOYJEZRQENMMEJ-DTORHVGOSA-N 0 0 397.185 1.402 20 5 GDBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)cc1Cl ZINC000921251398 660285035 /nfs/dbraw/zinc/28/50/35/660285035.db2.gz XHVASVCXEHFOJI-MRVPVSSYSA-N 0 0 380.781 1.771 20 5 GDBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000921271895 660285397 /nfs/dbraw/zinc/28/53/97/660285397.db2.gz HOYDGPIIDRAVKD-SNVBAGLBSA-N 0 0 376.818 1.940 20 5 GDBDRN O=C(NC[C@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1I ZINC000461630088 647497865 /nfs/dbraw/zinc/49/78/65/647497865.db2.gz XEXTWRFFQUOHNO-SECBINFHSA-N 0 0 390.177 1.948 20 5 GDBDRN Cc1cc(S(=O)(=O)NC2CCC(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000462315328 647522551 /nfs/dbraw/zinc/52/25/51/647522551.db2.gz PWYNFBANMLNTHO-UHFFFAOYSA-N 0 0 376.456 1.537 20 5 GDBDRN COCCCOC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000462361948 647525155 /nfs/dbraw/zinc/52/51/55/647525155.db2.gz ZQPNSPGPYDWVSB-UHFFFAOYSA-N 0 0 376.406 1.940 20 5 GDBDRN NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462476870 647529550 /nfs/dbraw/zinc/52/95/50/647529550.db2.gz BOMKFZPCYINNIW-ZETCQYMHSA-N 0 0 382.225 1.788 20 5 GDBDRN CN1CC[C@H]1CNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000921413058 660298397 /nfs/dbraw/zinc/29/83/97/660298397.db2.gz CCMBXYUBKFLROG-ZETCQYMHSA-N 0 0 382.211 1.479 20 5 GDBDRN COC(=O)C[C@H](C)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467045147 647627003 /nfs/dbraw/zinc/62/70/03/647627003.db2.gz LPUSCUVNGNHETF-JTQLQIEISA-N 0 0 391.471 1.223 20 5 GDBDRN Cc1sc(S(=O)(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000467042755 647627067 /nfs/dbraw/zinc/62/70/67/647627067.db2.gz DNWOEZKIYRZHRO-SNVBAGLBSA-N 0 0 388.448 1.772 20 5 GDBDRN CSCCCN(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000467790479 647651499 /nfs/dbraw/zinc/65/14/99/647651499.db2.gz UJLJDPGVIISWKQ-UHFFFAOYSA-N 0 0 375.472 1.475 20 5 GDBDRN CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000468755040 647672893 /nfs/dbraw/zinc/67/28/93/647672893.db2.gz AIOTWRWFWNPKAJ-LLVKDONJSA-N 0 0 392.455 1.191 20 5 GDBDRN C[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000469259348 647702688 /nfs/dbraw/zinc/70/26/88/647702688.db2.gz XZAKMMVHPKYCTB-KWQFWETISA-N 0 0 395.231 1.128 20 5 GDBDRN CS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000469290768 647704647 /nfs/dbraw/zinc/70/46/47/647704647.db2.gz RITLCRSHOPKAJV-UHFFFAOYSA-N 0 0 376.437 1.538 20 5 GDBDRN COc1c(C(=O)NCCNS(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000476432557 647779849 /nfs/dbraw/zinc/77/98/49/647779849.db2.gz FJHUHBMECSWFGI-UHFFFAOYSA-N 0 0 385.423 1.373 20 5 GDBDRN Cc1nn(C)c(C(=O)NCC(=O)Nc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000479420451 647831517 /nfs/dbraw/zinc/83/15/17/647831517.db2.gz YHSBRGXWPDJYLT-UHFFFAOYSA-N 0 0 396.201 1.768 20 5 GDBDRN COc1ccc(S(=O)(=O)N2CCC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000480833529 647858587 /nfs/dbraw/zinc/85/85/87/647858587.db2.gz YVEGWKXAWMWTEN-GFCCVEGCSA-N 0 0 384.332 1.681 20 5 GDBDRN CS(=O)(=O)C1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000480951682 647863674 /nfs/dbraw/zinc/86/36/74/647863674.db2.gz JLWKPTSMXIRLDB-UHFFFAOYSA-N 0 0 382.847 1.494 20 5 GDBDRN CCn1ncnc1CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000481245682 647873360 /nfs/dbraw/zinc/87/33/60/647873360.db2.gz JRJUTVARCMWIHC-UHFFFAOYSA-N 0 0 390.219 1.447 20 5 GDBDRN C[C@]1(C(N)=O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000481505963 647878418 /nfs/dbraw/zinc/87/84/18/647878418.db2.gz FNVKPDZQTKUCBJ-LBPRGKRZSA-N 0 0 381.332 1.500 20 5 GDBDRN Cn1c(C(=O)NC[C@H](O)COc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000483996686 647910088 /nfs/dbraw/zinc/91/00/88/647910088.db2.gz VTUXUZRVECDMSJ-JTQLQIEISA-N 0 0 398.213 1.866 20 5 GDBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000484098932 647911126 /nfs/dbraw/zinc/91/11/26/647911126.db2.gz YICJBHQIUQFLKD-KOLCDFICSA-N 0 0 376.818 1.709 20 5 GDBDRN Cc1c(Br)c(N(C)[C@@H]2CCN(S(C)(=O)=O)C2)ncc1[N+](=O)[O-] ZINC000488478854 647959918 /nfs/dbraw/zinc/95/99/18/647959918.db2.gz CFXGUPPBZPFUTA-SECBINFHSA-N 0 0 393.263 1.531 20 5 GDBDRN Cc1cc(C)c(S(=O)(=O)N([C@@H](C)CS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] ZINC000493993508 648002167 /nfs/dbraw/zinc/00/21/67/648002167.db2.gz UXWQIAGNAVVCTO-LBPRGKRZSA-N 0 0 390.483 1.798 20 5 GDBDRN CS(=O)(=O)c1cccc(NCc2cccc(S(N)(=O)=O)c2)c1[N+](=O)[O-] ZINC000497518417 648031129 /nfs/dbraw/zinc/03/11/29/648031129.db2.gz XXGAQAJCPYCOSW-UHFFFAOYSA-N 0 0 385.423 1.258 20 5 GDBDRN C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000499223325 648078813 /nfs/dbraw/zinc/07/88/13/648078813.db2.gz QHBODLUAPYPYFY-QMMMGPOBSA-N 0 0 384.332 1.699 20 5 GDBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC1CCSCC1 ZINC000499662315 648088030 /nfs/dbraw/zinc/08/80/30/648088030.db2.gz VXONBDOUKZEVJQ-UHFFFAOYSA-N 0 0 387.483 1.523 20 5 GDBDRN CSc1ccc(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000506695742 648224618 /nfs/dbraw/zinc/22/46/18/648224618.db2.gz NMMWNIGPKYYWPD-RYUDHWBXSA-N 0 0 387.483 1.764 20 5 GDBDRN CSc1cccc(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1[N+](=O)[O-] ZINC000506704928 648225430 /nfs/dbraw/zinc/22/54/30/648225430.db2.gz VTXWNFIPKJTDSO-PWSUYJOCSA-N 0 0 387.483 1.764 20 5 GDBDRN Cc1sc(S(=O)(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000511238550 648362669 /nfs/dbraw/zinc/36/26/69/648362669.db2.gz DPWBZNYVHWMFTM-JQWIXIFHSA-N 0 0 375.472 1.448 20 5 GDBDRN Nc1ncc2c(n1)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000514767541 648464982 /nfs/dbraw/zinc/46/49/82/648464982.db2.gz NLPOGHVJADXERH-UHFFFAOYSA-N 0 0 392.213 1.857 20 5 GDBDRN Cn1ncc(Br)c1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000515273562 648487741 /nfs/dbraw/zinc/48/77/41/648487741.db2.gz ACQRQKIQDWFALE-UHFFFAOYSA-N 0 0 381.234 1.808 20 5 GDBDRN O=C(NC[C@@H](CO)C1CC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000515345139 648491612 /nfs/dbraw/zinc/49/16/12/648491612.db2.gz PMDPMESKTLYFFK-VIFPVBQESA-N 0 0 386.202 1.431 20 5 GDBDRN Cc1ncc(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000516817461 648537883 /nfs/dbraw/zinc/53/78/83/648537883.db2.gz ZGLHEPVFFDCSQF-UHFFFAOYSA-N 0 0 384.439 1.345 20 5 GDBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000520226678 648646968 /nfs/dbraw/zinc/64/69/68/648646968.db2.gz JKDPTIIKCFNPQP-CYBMUJFWSA-N 0 0 385.442 1.824 20 5 GDBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1C ZINC000524871507 648695150 /nfs/dbraw/zinc/69/51/50/648695150.db2.gz CDOYZSZETSCMCP-OCCSQVGLSA-N 0 0 390.483 1.846 20 5 GDBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C(F)F ZINC000573469544 651479694 /nfs/dbraw/zinc/47/96/94/651479694.db2.gz GAJMPZCTXWZHFW-GFCCVEGCSA-N 0 0 377.369 1.519 20 5 GDBDRN Cc1c(NC(=O)C(=O)N[C@@H]2CO[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000573487198 651480828 /nfs/dbraw/zinc/48/08/28/651480828.db2.gz AHAMMHLHMMLYCI-XVKPBYJWSA-N 0 0 386.202 1.898 20 5 GDBDRN Cc1c(NC(=O)C(=O)N[C@@H]2CO[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000573487197 651480885 /nfs/dbraw/zinc/48/08/85/651480885.db2.gz AHAMMHLHMMLYCI-XCBNKYQSSA-N 0 0 386.202 1.898 20 5 GDBDRN O=C(Cn1cnnn1)N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000578123927 651775112 /nfs/dbraw/zinc/77/51/12/651775112.db2.gz WGJMCJWCUAZEKV-UHFFFAOYSA-N 0 0 386.199 1.237 20 5 GDBDRN COC[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000578796290 651815250 /nfs/dbraw/zinc/81/52/50/651815250.db2.gz YDZDQFXCVMBZII-SECBINFHSA-N 0 0 386.202 1.791 20 5 GDBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCc2c[nH]nc2C1 ZINC000585759250 652086840 /nfs/dbraw/zinc/08/68/40/652086840.db2.gz ORTBBICIEXSOCV-UHFFFAOYSA-N 0 0 394.185 1.604 20 5 GDBDRN Cc1csc(N2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000589105763 652108430 /nfs/dbraw/zinc/10/84/30/652108430.db2.gz VOVYWRBIQZKUNN-UHFFFAOYSA-N 0 0 383.455 1.334 20 5 GDBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2CC(F)(F)C[C@H]2C1 ZINC000592059281 652170938 /nfs/dbraw/zinc/17/09/38/652170938.db2.gz ZCBBTHZDNKLHKQ-NSHDSACASA-N 0 0 377.369 1.317 20 5 GDBDRN COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000592110909 652174333 /nfs/dbraw/zinc/17/43/33/652174333.db2.gz BHLSWCKPDGWDDY-UWVGGRQHSA-N 0 0 392.817 1.101 20 5 GDBDRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)[C@@H]1SC ZINC000592710864 652199252 /nfs/dbraw/zinc/19/92/52/652199252.db2.gz KJMCRGITOBGDQJ-QKCSRTOESA-N 0 0 388.467 1.637 20 5 GDBDRN COC(=O)CC1(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000593627879 652226902 /nfs/dbraw/zinc/22/69/02/652226902.db2.gz VHSGGOBRIHYKIE-UHFFFAOYSA-N 0 0 393.215 1.731 20 5 GDBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CC[C@@]3(CC3(F)F)C1)OCCO2 ZINC000593665063 652235373 /nfs/dbraw/zinc/23/53/73/652235373.db2.gz BLYOVYJVUPRBLD-CYBMUJFWSA-N 0 0 376.337 1.786 20 5 GDBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CC[C@]3(CC3(F)F)C1)OCCO2 ZINC000593665064 652235941 /nfs/dbraw/zinc/23/59/41/652235941.db2.gz BLYOVYJVUPRBLD-ZDUSSCGKSA-N 0 0 376.337 1.786 20 5 GDBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H](CO)CCF ZINC000593707733 652239431 /nfs/dbraw/zinc/23/94/31/652239431.db2.gz KVQBXLDMUBXGGT-QMMMGPOBSA-N 0 0 378.154 1.133 20 5 GDBDRN Cn1cnnc1N1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000594024567 652267472 /nfs/dbraw/zinc/26/74/72/652267472.db2.gz PTYMHFCDSTYGJY-UHFFFAOYSA-N 0 0 381.234 1.808 20 5 GDBDRN Cc1c(Br)c(N2CCN(c3nncn3C)CC2)ncc1[N+](=O)[O-] ZINC000594594022 652320331 /nfs/dbraw/zinc/32/03/31/652320331.db2.gz IBCJVHWLIMFPEF-UHFFFAOYSA-N 0 0 382.222 1.516 20 5 GDBDRN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)NCC[C@H](O)C(F)(F)F ZINC000594759038 652357136 /nfs/dbraw/zinc/35/71/36/652357136.db2.gz MAEVTBQCGNWSSP-NSHDSACASA-N 0 0 379.316 1.735 20 5 GDBDRN COC[C@@]1(C(=O)OC)CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594813767 652371394 /nfs/dbraw/zinc/37/13/94/652371394.db2.gz USTHBJCFXAXWSR-CQSZACIVSA-N 0 0 376.362 1.077 20 5 GDBDRN Cc1c(Cl)cc(S(=O)(=O)NCCN2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000594815653 652371713 /nfs/dbraw/zinc/37/17/13/652371713.db2.gz AHXYOGSAMSMNIP-WDEREUQCSA-N 0 0 391.877 1.944 20 5 GDBDRN C[C@@H]1CO[C@@H](C)CN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594816302 652372007 /nfs/dbraw/zinc/37/20/07/652372007.db2.gz GSZFWRHCUYUZML-MNOVXSKESA-N 0 0 377.850 1.636 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCN(c3ncns3)CC2)cc1 ZINC000595515474 652418536 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Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[nH]n3)nc2)cccc1[N+](=O)[O-] ZINC000737218488 599139083 /nfs/dbraw/zinc/13/90/83/599139083.db2.gz JRPMMJRUUBNCCY-JTQLQIEISA-N 0 0 397.351 1.662 20 5 GDBDRN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000821601399 599142019 /nfs/dbraw/zinc/14/20/19/599142019.db2.gz FLVAJXCLXNONFR-UHFFFAOYSA-N 0 0 388.348 1.057 20 5 GDBDRN COC(=O)[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736900517 599150298 /nfs/dbraw/zinc/15/02/98/599150298.db2.gz SDOMPXYMXYEXBY-INIZCTEOSA-N 0 0 397.347 1.775 20 5 GDBDRN O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738090493 599213074 /nfs/dbraw/zinc/21/30/74/599213074.db2.gz WQMYFDOAPCDIRU-UHFFFAOYSA-N 0 0 390.306 1.862 20 5 GDBDRN Cc1c(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cccc1-c1nn[nH]n1 ZINC000822069195 607270485 /nfs/dbraw/zinc/27/04/85/607270485.db2.gz XPVCUGXDYOXXNG-UHFFFAOYSA-N 0 0 381.352 1.452 20 5 GDBDRN O=[N+]([O-])c1ccc2nc(NCc3nnc4n3CCC4)cc(-c3nn[nH]n3)c2c1 ZINC000823644733 607304265 /nfs/dbraw/zinc/30/42/65/607304265.db2.gz KYVSYALAHAYVGX-UHFFFAOYSA-N 0 0 378.356 1.473 20 5 GDBDRN Cc1nc(N2CCOCC2)ccc1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000822449528 607305874 /nfs/dbraw/zinc/30/58/74/607305874.db2.gz CNGQMVWGBYMBOU-UHFFFAOYSA-N 0 0 383.372 1.454 20 5 GDBDRN Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000822699058 607306339 /nfs/dbraw/zinc/30/63/39/607306339.db2.gz MVNNYSAQMRBXKB-IUODEOHRSA-N 0 0 384.400 1.458 20 5 GDBDRN Cc1cc(-c2nn[nH]n2)ccc1OS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000737221806 598272320 /nfs/dbraw/zinc/27/23/20/598272320.db2.gz PESCCTRICQPCHX-UHFFFAOYSA-N 0 0 379.329 1.990 20 5 GDBDRN O=[N+]([O-])c1ccc(Sc2nnnn2C2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000738366995 598363832 /nfs/dbraw/zinc/36/38/32/598363832.db2.gz MOMIMDYYWZSTJO-UHFFFAOYSA-N 0 0 375.374 1.264 20 5 GDBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738243850 598477649 /nfs/dbraw/zinc/47/76/49/598477649.db2.gz BFBRJRRIGTYAJX-UHFFFAOYSA-N 0 0 394.307 1.577 20 5 GDBDRN CCc1n[nH]c(C(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1[N+](=O)[O-] ZINC000736664885 598612308 /nfs/dbraw/zinc/61/23/08/598612308.db2.gz AFQPTEAODHISGB-UHFFFAOYSA-N 0 0 397.399 1.023 20 5 GDBDRN CNc1cc(N2CCC[C@@H]2CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])ncn1 ZINC000736886716 598672670 /nfs/dbraw/zinc/67/26/70/598672670.db2.gz IYUDBNOUKJVRGW-GFCCVEGCSA-N 0 0 396.415 1.688 20 5 GDBDRN O=C(CCOc1cccc([N+](=O)[O-])c1)OCC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826407896 607364298 /nfs/dbraw/zinc/36/42/98/607364298.db2.gz GTZXWOBWKLFOAF-UHFFFAOYSA-N 0 0 397.347 1.970 20 5 GDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1ccc(F)cc1-c1nn[nH]n1 ZINC000737486143 598709734 /nfs/dbraw/zinc/70/97/34/598709734.db2.gz BBUFRGCSDVLXIB-UHFFFAOYSA-N 0 0 375.320 1.552 20 5 GDBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826415684 607366082 /nfs/dbraw/zinc/36/60/82/607366082.db2.gz ODVDCFSVJKLKJA-UHFFFAOYSA-N 0 0 398.291 1.723 20 5 GDBDRN COC(=O)c1cc(OCC(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000736949928 598751859 /nfs/dbraw/zinc/75/18/59/598751859.db2.gz IOAPFTGLDLFPHE-UHFFFAOYSA-N 0 0 383.320 1.823 20 5 GDBDRN COc1ccc(OC)c2c1CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C[C@H]2O ZINC000821842659 599330060 /nfs/dbraw/zinc/33/00/60/599330060.db2.gz VHYDXSYNHYVMSD-CQSZACIVSA-N 0 0 398.379 1.846 20 5 GDBDRN O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000737959790 599387211 /nfs/dbraw/zinc/38/72/11/599387211.db2.gz BFRCGLUCQPSWHG-CQSZACIVSA-N 0 0 394.395 1.425 20 5 GDBDRN O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3Cn3cncn3)cc(-c3nn[nH]n3)c2c1 ZINC000823645565 599537865 /nfs/dbraw/zinc/53/78/65/599537865.db2.gz UBOKLYDMXOXSJS-GFCCVEGCSA-N 0 0 392.383 1.584 20 5 GDBDRN C[C@@H](CO)[C@@H](C)Nc1cc(N[C@@H](C)[C@H](C)CO)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820281297 599568457 /nfs/dbraw/zinc/56/84/57/599568457.db2.gz VBRIVZJMJQXVJQ-NOOOWODRSA-N 0 0 393.448 1.633 20 5 GDBDRN CCOC(=O)[C@H]1CN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000821325903 599571410 /nfs/dbraw/zinc/57/14/10/599571410.db2.gz PSAZDLXYHHEUNR-CQSZACIVSA-N 0 0 399.367 1.091 20 5 GDBDRN O=C1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CCN1Cc1cccc(F)c1 ZINC000823535738 599589110 /nfs/dbraw/zinc/58/91/10/599589110.db2.gz GGXCEPKXRRPBKA-UHFFFAOYSA-N 0 0 397.370 1.763 20 5 GDBDRN Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1-c1nn[nH]n1 ZINC000822309404 599601233 /nfs/dbraw/zinc/60/12/33/599601233.db2.gz XIBLILZVFLWFCI-UHFFFAOYSA-N 0 0 395.379 1.680 20 5 GDBDRN O=C([O-])[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000738526900 600430076 /nfs/dbraw/zinc/43/00/76/600430076.db2.gz XOXXJYCQFVNKPL-HNNXBMFYSA-N 0 0 379.394 1.289 20 5 GDBDRN C[C@@H](NC(=O)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657446 600431912 /nfs/dbraw/zinc/43/19/12/600431912.db2.gz SCGLIMDUHYTJAF-TZMCWYRMSA-N 0 0 376.413 1.472 20 5 GDBDRN C[C@](O)(C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000574697272 600760402 /nfs/dbraw/zinc/76/04/02/600760402.db2.gz MZMDDQFAKLSBDT-AWEZNQCLSA-N 0 0 377.319 1.571 20 5 GDBDRN C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713439 601904437 /nfs/dbraw/zinc/90/44/37/601904437.db2.gz FJBJBSQJYWKVRO-YGRLFVJLSA-N 0 0 388.302 1.327 20 5 GDBDRN C[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@@H]1NC(=O)[O-] ZINC000739181484 602783467 /nfs/dbraw/zinc/78/34/67/602783467.db2.gz JUICIVHOJQMBLF-AAEUAGOBSA-N 0 0 378.385 1.871 20 5 GDBDRN O=[N+]([O-])c1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)c1 ZINC000826499255 607599689 /nfs/dbraw/zinc/59/96/89/607599689.db2.gz BFSPIOGBHXZQKH-UHFFFAOYSA-N 0 0 378.345 1.393 20 5 GDBDRN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1-c1nn[nH]n1 ZINC000826200713 607608295 /nfs/dbraw/zinc/60/82/95/607608295.db2.gz FNCDJRJDYVXCTP-UHFFFAOYSA-N 0 0 397.395 1.780 20 5 GDBDRN CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)c1nc(-c2nc[nH]n2)no1 ZINC000824201207 607734701 /nfs/dbraw/zinc/73/47/01/607734701.db2.gz YNQYUOGZFZYNIW-NSHDSACASA-N 0 0 397.359 1.752 20 5 GDBDRN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833623920 605164912 /nfs/dbraw/zinc/16/49/12/605164912.db2.gz HABUXJHGWWCHDD-CYBMUJFWSA-N 0 0 387.396 1.402 20 5 GDBDRN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000833625421 605166403 /nfs/dbraw/zinc/16/64/03/605166403.db2.gz LOPWHRDYTJWRDX-AWEZNQCLSA-N 0 0 390.440 1.816 20 5 GDBDRN O=C([O-])NCCNC(=O)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000834240332 605564715 /nfs/dbraw/zinc/56/47/15/605564715.db2.gz JIVDDMCNFSMVMU-OMVNSRBRSA-N 0 0 376.413 1.704 20 5 GDBDRN COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C(=O)[O-])C1 ZINC000833706884 605683095 /nfs/dbraw/zinc/68/30/95/605683095.db2.gz IKSJOMFYBPPKPC-IUODEOHRSA-N 0 0 393.396 1.570 20 5 GDBDRN CCOC(=O)c1sc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)nc1C ZINC000821346176 606103193 /nfs/dbraw/zinc/10/31/93/606103193.db2.gz DKHDLEXUJGEHJP-UHFFFAOYSA-N 0 0 390.385 1.724 20 5 GDBDRN NC(=O)C[C@@H]1CCCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000822864705 606141042 /nfs/dbraw/zinc/14/10/42/606141042.db2.gz IUIMFYHWHSKMOJ-JTQLQIEISA-N 0 0 382.384 1.415 20 5 GDBDRN O=C1CN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCN1C1CC1 ZINC000823535679 606243918 /nfs/dbraw/zinc/24/39/18/606243918.db2.gz DSFCGFMRIVBGCX-UHFFFAOYSA-N 0 0 380.368 1.134 20 5 GDBDRN O=C(O[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc([N+](=O)[O-])o1 ZINC000823392681 606364963 /nfs/dbraw/zinc/36/49/63/606364963.db2.gz RNJWLYPVIORCSQ-MRVPVSSYSA-N 0 0 390.337 1.392 20 5 GDBDRN Cc1cc(F)cc(C(=O)NCCNc2ncccc2-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000822203153 606590970 /nfs/dbraw/zinc/59/09/70/606590970.db2.gz HABJZCZGANFVMD-UHFFFAOYSA-N 0 0 386.347 1.459 20 5 GDBDRN COC(=O)c1cc(NCCNc2ncccc2-c2nn[nH]n2)cc(C)c1[N+](=O)[O-] 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531524491 /nfs/dbraw/zinc/52/44/91/531524491.db2.gz FHGIHKWEYIIETM-UHFFFAOYSA-N 0 0 383.451 1.963 20 5 GDBDRN O=C(CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)N1CCOCC1 ZINC000295147613 531527378 /nfs/dbraw/zinc/52/73/78/531527378.db2.gz LQWYOMYQBNCENY-UHFFFAOYSA-N 0 0 398.224 1.039 20 5 GDBDRN CCn1cc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])n1 ZINC000611107728 531528985 /nfs/dbraw/zinc/52/89/85/531528985.db2.gz HFRJCYAWCHFDOO-ZWNOBZJWSA-N 0 0 376.460 1.144 20 5 GDBDRN Cc1cc(Cl)c(C(=O)N2CCN(c3nc(N)ns3)CC2)cc1[N+](=O)[O-] ZINC000295073283 531519985 /nfs/dbraw/zinc/51/99/85/531519985.db2.gz HXMGFTVGIYFPKP-UHFFFAOYSA-N 0 0 382.833 1.953 20 5 GDBDRN CCS(=O)(=O)N1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000558003283 531541568 /nfs/dbraw/zinc/54/15/68/531541568.db2.gz GHOKKEMJDQYUBQ-LLVKDONJSA-N 0 0 387.483 1.813 20 5 GDBDRN O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(F)(F)C1 ZINC000611906356 531543894 /nfs/dbraw/zinc/54/38/94/531543894.db2.gz ADZWESYDLLVSLT-GFCCVEGCSA-N 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ZINC000364441075 531566790 /nfs/dbraw/zinc/56/67/90/531566790.db2.gz BOQFCCXZMJCJNT-AWEZNQCLSA-N 0 0 375.378 1.161 20 5 GDBDRN CCO[C@H]1COCC[C@H]1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000493890593 531581776 /nfs/dbraw/zinc/58/17/76/531581776.db2.gz FUCIQPRASNJWCB-YPMHNXCESA-N 0 0 378.378 1.215 20 5 GDBDRN CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295532218 531592689 /nfs/dbraw/zinc/59/26/89/531592689.db2.gz IZUWHTOATNLCFA-VIFPVBQESA-N 0 0 382.225 1.753 20 5 GDBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281262479 531598772 /nfs/dbraw/zinc/59/87/72/531598772.db2.gz GVNDLXSIKKVICP-PELKAZGASA-N 0 0 384.186 1.928 20 5 GDBDRN C[C@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000583848689 531599527 /nfs/dbraw/zinc/59/95/27/531599527.db2.gz CDKJXQHIUDHUCQ-RULNZOCKSA-N 0 0 375.472 1.192 20 5 GDBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@H]1CCO ZINC000494361724 531599764 /nfs/dbraw/zinc/59/97/64/531599764.db2.gz BGPGXJSRPSFHPN-JTQLQIEISA-N 0 0 379.232 1.893 20 5 GDBDRN C[C@H](Cn1cncn1)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295599911 531602200 /nfs/dbraw/zinc/60/22/00/531602200.db2.gz CEOGDOXWHPJPKD-SSDOTTSWSA-N 0 0 380.213 1.860 20 5 GDBDRN Cc1c(NC(=O)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000281314161 531604402 /nfs/dbraw/zinc/60/44/02/531604402.db2.gz XRTZBDHASAVVHA-GXSJLCMTSA-N 0 0 398.213 1.657 20 5 GDBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000269133655 531614125 /nfs/dbraw/zinc/61/41/25/531614125.db2.gz MBXOPMQSWXRQQC-NHYWBVRUSA-N 0 0 388.467 1.936 20 5 GDBDRN Cc1cc(S(=O)(=O)NCCC2CCS(=O)(=O)CC2)c(C)cc1[N+](=O)[O-] ZINC000416447910 531618371 /nfs/dbraw/zinc/61/83/71/531618371.db2.gz DZNLXJWBJPOCGN-UHFFFAOYSA-N 0 0 390.483 1.705 20 5 GDBDRN Cc1c(C(=O)NC[C@@H]2CCC(F)(F)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000281507850 531625708 /nfs/dbraw/zinc/62/57/08/531625708.db2.gz FWBDKWICPXKVKF-SECBINFHSA-N 0 0 377.369 1.716 20 5 GDBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@H]1CCC[C@H]1O ZINC000269242642 531628359 /nfs/dbraw/zinc/62/83/59/531628359.db2.gz BUXJAJFTMZWTJY-LDYMZIIASA-N 0 0 379.232 1.797 20 5 GDBDRN Cc1noc([C@@H](C)NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000560188904 531629606 /nfs/dbraw/zinc/62/96/06/531629606.db2.gz GEAKRZZLMXHDOR-ZCFIWIBFSA-N 0 0 398.173 1.865 20 5 GDBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCOC1=O ZINC000269264802 531632121 /nfs/dbraw/zinc/63/21/21/531632121.db2.gz DDYLBUHBEHFLLE-UHFFFAOYSA-N 0 0 377.806 1.677 20 5 GDBDRN CC[C@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@H](C)S1(=O)=O ZINC000416487279 531642994 /nfs/dbraw/zinc/64/29/94/531642994.db2.gz KRPXBKAVSZFXFR-STQMWFEESA-N 0 0 390.483 1.798 20 5 GDBDRN Cc1cc(S(=O)(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)c(C)cc1[N+](=O)[O-] ZINC000416488357 531644628 /nfs/dbraw/zinc/64/46/28/531644628.db2.gz MKEXGGXPUSNNBF-CYBMUJFWSA-N 0 0 390.483 1.657 20 5 GDBDRN O=C(CN1CCN2C(=O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000499250722 531644734 /nfs/dbraw/zinc/64/47/34/531644734.db2.gz OBVXFQBQVCIEBH-LLVKDONJSA-N 0 0 397.229 1.602 20 5 GDBDRN C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ncn(C)n1 ZINC000416475242 531635251 /nfs/dbraw/zinc/63/52/51/531635251.db2.gz TXHVNSHVSAEXMN-ZETCQYMHSA-N 0 0 379.320 1.782 20 5 GDBDRN CNC(=O)[C@H](CCSC)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416480667 531639842 /nfs/dbraw/zinc/63/98/42/531639842.db2.gz AXAYLICVRVCCMI-NSHDSACASA-N 0 0 375.472 1.358 20 5 GDBDRN COC(=O)[C@@]1(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CCOC1 ZINC000269309557 531640280 /nfs/dbraw/zinc/64/02/80/531640280.db2.gz UZZFRZPTNCLIEC-CYBMUJFWSA-N 0 0 378.790 1.167 20 5 GDBDRN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000296204970 531669559 /nfs/dbraw/zinc/66/95/59/531669559.db2.gz WDNMYJDVDCUPMU-CYBMUJFWSA-N 0 0 390.483 1.966 20 5 GDBDRN O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)CC2CC(F)(F)C2)CC1 ZINC000416498146 531649171 /nfs/dbraw/zinc/64/91/71/531649171.db2.gz WRBFZWJVCTXHEO-UHFFFAOYSA-N 0 0 376.385 1.487 20 5 GDBDRN CNS(=O)(=O)c1ccc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])s1 ZINC000269338768 531649467 /nfs/dbraw/zinc/64/94/67/531649467.db2.gz CMBSTMRCRVJMKF-UHFFFAOYSA-N 0 0 387.443 1.341 20 5 GDBDRN Cc1c(Br)cc(S(=O)(=O)N2CC(=O)N[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296145379 531660800 /nfs/dbraw/zinc/66/08/00/531660800.db2.gz SBKXHIYWYSGOEJ-SSDOTTSWSA-N 0 0 392.231 1.175 20 5 GDBDRN O=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500643352 531664949 /nfs/dbraw/zinc/66/49/49/531664949.db2.gz MRVCZTNJOGCUAX-LBPRGKRZSA-N 0 0 389.430 1.324 20 5 GDBDRN C[S@@](=O)C1(CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000281799730 531665036 /nfs/dbraw/zinc/66/50/36/531665036.db2.gz MNLWAOVIKCWDIE-RUZDIDTESA-N 0 0 387.845 1.395 20 5 GDBDRN CC(=O)NCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269464665 531674583 /nfs/dbraw/zinc/67/45/83/531674583.db2.gz ILNZSEMPBYNXDI-UHFFFAOYSA-N 0 0 380.220 1.162 20 5 GDBDRN CN(Cc1nccn1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269466152 531675493 /nfs/dbraw/zinc/67/54/93/531675493.db2.gz JGBJEYYDXLUSTG-UHFFFAOYSA-N 0 0 389.231 1.912 20 5 GDBDRN NC(=O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C2CC3CC(C2)CC1C3 ZINC000416559220 531677647 /nfs/dbraw/zinc/67/76/47/531677647.db2.gz NQOJNJDZLIAWQV-UHFFFAOYSA-N 0 0 385.467 1.615 20 5 GDBDRN Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000416582445 531689167 /nfs/dbraw/zinc/68/91/67/531689167.db2.gz LEOZRKICBMVDKP-QMMMGPOBSA-N 0 0 392.231 1.080 20 5 GDBDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000365759749 531679208 /nfs/dbraw/zinc/67/92/08/531679208.db2.gz VWZPLVQWBYZABO-SNVBAGLBSA-N 0 0 393.824 1.470 20 5 GDBDRN COC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000269505858 531682604 /nfs/dbraw/zinc/68/26/04/531682604.db2.gz YYQYREGWGSGABG-NSHDSACASA-N 0 0 382.316 1.844 20 5 GDBDRN CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000281961593 531684628 /nfs/dbraw/zinc/68/46/28/531684628.db2.gz JKUJFJVZZIGROC-UHFFFAOYSA-N 0 0 392.231 1.256 20 5 GDBDRN NS(=O)(=O)CCCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000296355878 531686379 /nfs/dbraw/zinc/68/63/79/531686379.db2.gz IXROZIVNHIRJOL-UHFFFAOYSA-N 0 0 382.345 1.386 20 5 GDBDRN CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451850869 531696567 /nfs/dbraw/zinc/69/65/67/531696567.db2.gz LVUBXRKCLNAOBG-CQSZACIVSA-N 0 0 390.483 1.539 20 5 GDBDRN CC(C)(CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])S(C)(=O)=O ZINC000416586799 531691197 /nfs/dbraw/zinc/69/11/97/531691197.db2.gz CWZXEXSVZFNPEX-UHFFFAOYSA-N 0 0 384.863 1.740 20 5 GDBDRN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)C(N)=O ZINC000296644800 531710970 /nfs/dbraw/zinc/71/09/70/531710970.db2.gz DPXUGCPDBRZKMR-MRVPVSSYSA-N 0 0 392.153 1.585 20 5 GDBDRN COC(=O)[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000504914086 531711798 /nfs/dbraw/zinc/71/17/98/531711798.db2.gz IMWJKZYEMSWKBL-CYBMUJFWSA-N 0 0 375.175 1.320 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](O)C(F)(F)F)cc1Br ZINC000269680292 531711911 /nfs/dbraw/zinc/71/19/11/531711911.db2.gz GEOZLBHCYSWLFA-QMMMGPOBSA-N 0 0 393.137 1.559 20 5 GDBDRN C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC(=O)N1C ZINC000282069330 531701348 /nfs/dbraw/zinc/70/13/48/531701348.db2.gz QMZGGTNPTRMVSG-QMMMGPOBSA-N 0 0 392.231 1.209 20 5 GDBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000451902303 531710042 /nfs/dbraw/zinc/71/00/42/531710042.db2.gz CIDGKEQHAYOJEV-CQSZACIVSA-N 0 0 390.483 1.745 20 5 GDBDRN O=C(CN1CCS(=O)(=O)[C@@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451963519 531729943 /nfs/dbraw/zinc/72/99/43/531729943.db2.gz JCBHASPDQBWYQN-UONOGXRCSA-N 0 0 387.845 1.838 20 5 GDBDRN CN1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1=O ZINC000269700038 531716717 /nfs/dbraw/zinc/71/67/17/531716717.db2.gz YGDXEQNHAYEXDU-ZETCQYMHSA-N 0 0 376.594 1.971 20 5 GDBDRN Cc1c(Cl)cc(S(=O)(=O)NCC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000269707552 531719312 /nfs/dbraw/zinc/71/93/12/531719312.db2.gz PBNLRVLVZAWOKS-UHFFFAOYSA-N 0 0 378.834 1.624 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000269707630 531721169 /nfs/dbraw/zinc/72/11/69/531721169.db2.gz MOOMCKGTJGVDID-QMMMGPOBSA-N 0 0 382.238 1.815 20 5 GDBDRN CN(C(C)(C)CN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416643513 531722263 /nfs/dbraw/zinc/72/22/63/531722263.db2.gz HKKLNVNWQCZCKM-UHFFFAOYSA-N 0 0 391.877 1.980 20 5 GDBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451980302 531735413 /nfs/dbraw/zinc/73/54/13/531735413.db2.gz DCCZUBRKKUIKPO-QPUJVOFHSA-N 0 0 384.332 1.537 20 5 GDBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000451985575 531736358 /nfs/dbraw/zinc/73/63/58/531736358.db2.gz KLHKAVROUBOSTQ-YPMHNXCESA-N 0 0 382.360 1.712 20 5 GDBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451993702 531739725 /nfs/dbraw/zinc/73/97/25/531739725.db2.gz VRHNVHARNVEVOH-QPUJVOFHSA-N 0 0 384.332 1.537 20 5 GDBDRN 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COCCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000291500390 531294110 /nfs/dbraw/zinc/29/41/10/531294110.db2.gz IVVNVCSJXKOQEF-NSHDSACASA-N 0 0 376.818 1.524 20 5 GDBDRN COc1c(F)cc(S(=O)(=O)N(C)CCN(C)CC(F)F)cc1[N+](=O)[O-] ZINC000410412434 531287298 /nfs/dbraw/zinc/28/72/98/531287298.db2.gz CPAPPJVYGOBGGT-UHFFFAOYSA-N 0 0 385.364 1.560 20 5 GDBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277630558 531299387 /nfs/dbraw/zinc/29/93/87/531299387.db2.gz CDOBXANOUAEHHN-AWEZNQCLSA-N 0 0 390.483 1.745 20 5 GDBDRN CCS(=O)(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000277660025 531300539 /nfs/dbraw/zinc/30/05/39/531300539.db2.gz GOVGWMKUFCVRSE-UHFFFAOYSA-N 0 0 392.455 1.191 20 5 GDBDRN CN(C)C1CN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000277708888 531304877 /nfs/dbraw/zinc/30/48/77/531304877.db2.gz GBKQNTAWTSFZJI-UHFFFAOYSA-N 0 0 382.211 1.431 20 5 GDBDRN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC2(CC1)NC(=O)NC2=O ZINC000291558303 531298561 /nfs/dbraw/zinc/29/85/61/531298561.db2.gz XOQNDLJVFXQAIG-UHFFFAOYSA-N 0 0 387.179 1.716 20 5 GDBDRN CCS(=O)(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000277739278 531308045 /nfs/dbraw/zinc/30/80/45/531308045.db2.gz POHXPXJIKXMEPG-UHFFFAOYSA-N 0 0 396.874 1.836 20 5 GDBDRN CN(c1ncc([N+](=O)[O-])cc1Br)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000291972624 531325718 /nfs/dbraw/zinc/32/57/18/531325718.db2.gz WINZAQZUQMWZDY-QMMMGPOBSA-N 0 0 379.236 1.222 20 5 GDBDRN Cc1ccc(C)c(S(=O)(=O)N2CCS(=O)(=O)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000277991172 531325745 /nfs/dbraw/zinc/32/57/45/531325745.db2.gz UPULIOIZMRQZQX-JTQLQIEISA-N 0 0 376.456 1.267 20 5 GDBDRN C[C@@H](O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000266179583 531321935 /nfs/dbraw/zinc/32/19/35/531321935.db2.gz BRTBERDMGPZSLF-VXGBXAGGSA-N 0 0 389.499 1.392 20 5 GDBDRN CCS(=O)(=O)C[C@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000477112985 531323939 /nfs/dbraw/zinc/32/39/39/531323939.db2.gz MKOVBKHYQULPJF-JTQLQIEISA-N 0 0 379.460 1.080 20 5 GDBDRN CS(=O)(=O)CC1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292139114 531337399 /nfs/dbraw/zinc/33/73/99/531337399.db2.gz YVHMFOACUVHVOE-UHFFFAOYSA-N 0 0 390.483 1.224 20 5 GDBDRN C[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000291989235 531328565 /nfs/dbraw/zinc/32/85/65/531328565.db2.gz SXGOKFXSOJDYCB-KWQFWETISA-N 0 0 379.232 1.891 20 5 GDBDRN COC[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000266253223 531331774 /nfs/dbraw/zinc/33/17/74/531331774.db2.gz YAFLPPAICKGKIG-JTQLQIEISA-N 0 0 395.231 1.393 20 5 GDBDRN NC(=O)c1ccc(CS(=O)(=O)Cc2ncc(Cl)s2)c([N+](=O)[O-])c1 ZINC000478710576 531348616 /nfs/dbraw/zinc/34/86/16/531348616.db2.gz BBMQDPQJWNDHEC-UHFFFAOYSA-N 0 0 375.815 1.919 20 5 GDBDRN CS(=O)(=O)N(CCn1cc(Cl)cc([N+](=O)[O-])c1=O)Cc1ccccc1 ZINC000478709005 531348757 /nfs/dbraw/zinc/34/87/57/531348757.db2.gz DUOUFYVZDHHCBV-UHFFFAOYSA-N 0 0 385.829 1.872 20 5 GDBDRN O=[N+]([O-])c1cc(F)c(CN2CCC(N3CCCS3(=O)=O)CC2)c(F)c1 ZINC000411833795 531343999 /nfs/dbraw/zinc/34/39/99/531343999.db2.gz KTVUIJLKERRBQG-UHFFFAOYSA-N 0 0 375.397 1.873 20 5 GDBDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412111689 531358509 /nfs/dbraw/zinc/35/85/09/531358509.db2.gz GJXSOVDNRADWJR-JTQLQIEISA-N 0 0 376.406 1.567 20 5 GDBDRN O=[N+]([O-])c1cc(I)cc(CN2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC000412107832 531358630 /nfs/dbraw/zinc/35/86/30/531358630.db2.gz RMXWITMWHQAUES-ZWNOBZJWSA-N 0 0 392.193 1.375 20 5 GDBDRN C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000412486355 531372611 /nfs/dbraw/zinc/37/26/11/531372611.db2.gz LTWOFFJAKKYOBS-JTQLQIEISA-N 0 0 384.439 1.549 20 5 GDBDRN COc1ccc(S(=O)(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000480844152 531379069 /nfs/dbraw/zinc/37/90/69/531379069.db2.gz WFFSJVXYQYOFJO-LBPRGKRZSA-N 0 0 384.332 1.681 20 5 GDBDRN CCN(CC)S(=O)(=O)c1ccc(N(CCO)CCOC)c([N+](=O)[O-])c1 ZINC000267098936 531397074 /nfs/dbraw/zinc/39/70/74/531397074.db2.gz WFVZBPUWTRPZMD-UHFFFAOYSA-N 0 0 375.447 1.070 20 5 GDBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)C[C@@H](C)O ZINC000267111935 531398818 /nfs/dbraw/zinc/39/88/18/531398818.db2.gz RMRCWIOVPXTKKY-LLVKDONJSA-N 0 0 375.447 1.986 20 5 GDBDRN C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000445176005 531403867 /nfs/dbraw/zinc/40/38/67/531403867.db2.gz URCMLWLUMGMEAT-SSDOTTSWSA-N 0 0 392.231 1.396 20 5 GDBDRN CCn1ccnc1[C@H]1OCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000484043350 531416083 /nfs/dbraw/zinc/41/60/83/531416083.db2.gz NGZVQQDXKJUXTD-GWCFXTLKSA-N 0 0 386.455 1.990 20 5 GDBDRN CCOCCOC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000483383638 531411271 /nfs/dbraw/zinc/41/12/71/531411271.db2.gz MROXNTPHMOPSAZ-NSHDSACASA-N 0 0 391.218 1.501 20 5 GDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1-n1cncn1 ZINC000483981354 531414939 /nfs/dbraw/zinc/41/49/39/531414939.db2.gz OLMKWHQRSJLOFL-UHFFFAOYSA-N 0 0 392.173 1.924 20 5 GDBDRN CS(=O)(=O)CC1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000414010989 531428046 /nfs/dbraw/zinc/42/80/46/531428046.db2.gz PJUNSAIMCBNSJB-UHFFFAOYSA-N 0 0 376.381 1.747 20 5 GDBDRN CN(Cc1cn(C)nc1C(F)(F)F)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533545009 531430935 /nfs/dbraw/zinc/43/09/35/531430935.db2.gz DSGZWLWOSTUKKC-UHFFFAOYSA-N 0 0 379.320 1.563 20 5 GDBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000533294974 531429396 /nfs/dbraw/zinc/42/93/96/531429396.db2.gz JDOCBDIKQPVAOO-WDEREUQCSA-N 0 0 389.861 1.942 20 5 GDBDRN Cn1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000485522903 531435771 /nfs/dbraw/zinc/43/57/71/531435771.db2.gz CBSXEWXJONYWEE-UHFFFAOYSA-N 0 0 389.187 1.069 20 5 GDBDRN C[C@H]1[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCS1(=O)=O ZINC000293693303 531437256 /nfs/dbraw/zinc/43/72/56/531437256.db2.gz CKFYFNKQAXXCLZ-XVKPBYJWSA-N 0 0 377.216 1.663 20 5 GDBDRN COc1nc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)ncc1Br ZINC000267528415 531433200 /nfs/dbraw/zinc/43/32/00/531433200.db2.gz UHTRZNNLUDLRKS-UHFFFAOYSA-N 0 0 395.217 1.878 20 5 GDBDRN CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000279445281 531433436 /nfs/dbraw/zinc/43/34/36/531433436.db2.gz DEWOKMKXUUALQE-SNVBAGLBSA-N 0 0 378.809 1.965 20 5 GDBDRN Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000267623538 531439548 /nfs/dbraw/zinc/43/95/48/531439548.db2.gz LRCOUJMZKYRSHD-NSHDSACASA-N 0 0 376.866 1.081 20 5 GDBDRN Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000267705764 531446237 /nfs/dbraw/zinc/44/62/37/531446237.db2.gz UNLPHSSGKCSVLH-VIFPVBQESA-N 0 0 382.847 1.364 20 5 GDBDRN CC(C)[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000448105385 531447482 /nfs/dbraw/zinc/44/74/82/531447482.db2.gz RJTATGOVJRRGQI-UKRRQHHQSA-N 0 0 387.483 1.800 20 5 GDBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000448109184 531447623 /nfs/dbraw/zinc/44/76/23/531447623.db2.gz TXWFMOKHNCYDOX-SECBINFHSA-N 0 0 382.423 1.757 20 5 GDBDRN CCn1cc(S(=O)(=O)N(CCOC)[C@@H]2CCCSC2)c([N+](=O)[O-])n1 ZINC000447932314 531442684 /nfs/dbraw/zinc/44/26/84/531442684.db2.gz QMMSGSLQZXODIW-LLVKDONJSA-N 0 0 378.476 1.344 20 5 GDBDRN O=C1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000447933627 531442730 /nfs/dbraw/zinc/44/27/30/531442730.db2.gz UNXUHWWTWFMQAR-UHFFFAOYSA-N 0 0 380.209 1.854 20 5 GDBDRN Cc1cc(Cl)c(S(=O)(=O)NCCN2C(=O)CSC2=O)cc1[N+](=O)[O-] ZINC000267681503 531444113 /nfs/dbraw/zinc/44/41/13/531444113.db2.gz PWVWQIBVKQOUEY-UHFFFAOYSA-N 0 0 393.830 1.530 20 5 GDBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H](CO)c1cccc(Br)c1 ZINC000536488595 531452233 /nfs/dbraw/zinc/45/22/33/531452233.db2.gz MDVGDODTFBNUKI-LBPRGKRZSA-N 0 0 396.197 1.369 20 5 GDBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CS(=O)(=O)Cc2cccc(F)c2Cl)c1 ZINC000414431744 531452376 /nfs/dbraw/zinc/45/23/76/531452376.db2.gz ROQBBMTWTBLBLD-LLVKDONJSA-N 0 0 377.781 1.560 20 5 GDBDRN NC(=O)c1ccc(SCC(=O)NC[C@H]2CSCCS2)c([N+](=O)[O-])c1 ZINC000267835250 531455030 /nfs/dbraw/zinc/45/50/30/531455030.db2.gz LEVATSWNPQMUJX-JTQLQIEISA-N 0 0 387.508 1.751 20 5 GDBDRN O=C(Cn1cnc([N+](=O)[O-])n1)NCCc1c[nH]c2ccc(Br)cc12 ZINC000542426325 531475722 /nfs/dbraw/zinc/47/57/22/531475722.db2.gz XNESSQQCSDDZGT-UHFFFAOYSA-N 0 0 393.201 1.789 20 5 GDBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[S@@](C)=O ZINC000542432138 531475879 /nfs/dbraw/zinc/47/58/79/531475879.db2.gz VAEIJVMGOCXHNA-REFGNXHDSA-N 0 0 388.467 1.747 20 5 GDBDRN O=c1c(Cl)c(N2CCS(=O)(=O)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000267890197 531459369 /nfs/dbraw/zinc/45/93/69/531459369.db2.gz RTOZTPGCAAEKHW-UHFFFAOYSA-N 0 0 384.801 1.029 20 5 GDBDRN COCCN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267905478 531460218 /nfs/dbraw/zinc/46/02/18/531460218.db2.gz ALMWEXPCFIDBKN-UHFFFAOYSA-N 0 0 390.209 1.901 20 5 GDBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2nccn2CC(F)(F)F)cc1 ZINC000538071351 531464981 /nfs/dbraw/zinc/46/49/81/531464981.db2.gz QQOZYTUPCKBKCV-UHFFFAOYSA-N 0 0 378.332 1.973 20 5 GDBDRN COCCc1noc(CN(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000268236642 531487463 /nfs/dbraw/zinc/48/74/63/531487463.db2.gz WKWXSRRMIXOLTO-UHFFFAOYSA-N 0 0 390.805 1.641 20 5 GDBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N(CCO)CC(F)F)c1 ZINC000280332241 531488302 /nfs/dbraw/zinc/48/83/02/531488302.db2.gz UWAQRDWGVRPBGL-UHFFFAOYSA-N 0 0 389.174 1.605 20 5 GDBDRN COC(=O)[C@]1(C)CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000268281351 531491347 /nfs/dbraw/zinc/49/13/47/531491347.db2.gz BIJLIXLUXKRDQU-CQSZACIVSA-N 0 0 378.353 1.981 20 5 GDBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@H]2C(=O)NCC(F)F)s1 ZINC000450849712 531514955 /nfs/dbraw/zinc/51/49/55/531514955.db2.gz UKUXZYGJNNKLKH-QMMMGPOBSA-N 0 0 397.425 1.800 20 5 GDBDRN CS(=O)(=O)c1ccc(N2CC(=O)N(CCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000295056588 531518117 /nfs/dbraw/zinc/51/81/17/531518117.db2.gz UZKIGCILZLWVCV-UHFFFAOYSA-N 0 0 381.332 1.557 20 5 GDBDRN Cc1cc(Cl)c(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000294804727 531498340 /nfs/dbraw/zinc/49/83/40/531498340.db2.gz ITKLBCBABBAMRF-JTQLQIEISA-N 0 0 375.834 1.710 20 5 GDBDRN NC(=O)c1nn(C[C@@H](O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000489362577 531498363 /nfs/dbraw/zinc/49/83/63/531498363.db2.gz VMDHXTGKQSGZKT-SECBINFHSA-N 0 0 385.174 1.093 20 5 GDBDRN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000581682036 531508878 /nfs/dbraw/zinc/50/88/78/531508878.db2.gz SHTIDYUJZYDKNZ-MWLCHTKSSA-N 0 0 399.245 1.895 20 5 GDBDRN CS(=O)(=O)C[C@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000490239172 531522185 /nfs/dbraw/zinc/52/21/85/531522185.db2.gz DTUXORSTSVIDHG-JTQLQIEISA-N 0 0 375.834 1.824 20 5 GDBDRN NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000549749264 531524602 /nfs/dbraw/zinc/52/46/02/531524602.db2.gz QELWOLDPOAHXBZ-UHFFFAOYSA-N 0 0 389.842 1.930 20 5 GDBDRN NS(=O)(=O)C[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268507333 531525809 /nfs/dbraw/zinc/52/58/09/531525809.db2.gz VFRMKDNCEZIWHR-MRVPVSSYSA-N 0 0 379.236 1.257 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394.185 1.847 20 5 GDBDRN COc1nc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ncc1Br ZINC000431850250 532274593 /nfs/dbraw/zinc/27/45/93/532274593.db2.gz VPDGCKGCDQNXOA-UHFFFAOYSA-N 0 0 395.217 1.878 20 5 GDBDRN COc1cc(N2CCCN(S(=O)(=O)N(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000377995729 532278384 /nfs/dbraw/zinc/27/83/84/532278384.db2.gz WJGJZADSJDGEAG-UHFFFAOYSA-N 0 0 376.410 1.061 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CC(O)C2)c(Br)c1 ZINC000432297823 532282614 /nfs/dbraw/zinc/28/26/14/532282614.db2.gz LBUHNLCBVHAPEW-UHFFFAOYSA-N 0 0 379.232 1.797 20 5 GDBDRN CNS(=O)(=O)[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000378372331 532285769 /nfs/dbraw/zinc/28/57/69/532285769.db2.gz QZZUHCOUJFYHRO-AWEZNQCLSA-N 0 0 382.467 1.842 20 5 GDBDRN COC(=O)Nc1ccc(S(=O)(=O)NCCCCCCO)cc1[N+](=O)[O-] ZINC000275421580 532294526 /nfs/dbraw/zinc/29/45/26/532294526.db2.gz QGQBFPQDRHFXLQ-UHFFFAOYSA-N 0 0 375.403 1.604 20 5 GDBDRN O=[N+]([O-])c1cc(I)ccc1N1CC[C@@H](O)[C@H](CO)C1 ZINC000396827896 532302438 /nfs/dbraw/zinc/30/24/38/532302438.db2.gz OJYFGUBCEYPDOF-QPUJVOFHSA-N 0 0 378.166 1.379 20 5 GDBDRN CSc1nnc(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)s1 ZINC000275634311 532303064 /nfs/dbraw/zinc/30/30/64/532303064.db2.gz MXLGYIJFLYLJFI-LLVKDONJSA-N 0 0 379.423 1.978 20 5 GDBDRN CS(=O)(=O)c1nnc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000276283759 532325678 /nfs/dbraw/zinc/32/56/78/532325678.db2.gz GGPHCTCJUBRDDR-UHFFFAOYSA-N 0 0 383.455 1.172 20 5 GDBDRN NS(=O)(=O)CCOCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000288876605 532310420 /nfs/dbraw/zinc/31/04/20/532310420.db2.gz GILMAFUFSJEAAZ-UHFFFAOYSA-N 0 0 391.755 1.984 20 5 GDBDRN CNS(=O)(=O)c1csc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000289145311 532316685 /nfs/dbraw/zinc/31/66/85/532316685.db2.gz WWDPVTPGNVYWGB-UHFFFAOYSA-N 0 0 383.451 1.879 20 5 GDBDRN C[C@H]1CN=C(N2CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)CC2)S1 ZINC000276130130 532320359 /nfs/dbraw/zinc/32/03/59/532320359.db2.gz AZTMJHIDOUJCMW-NSHDSACASA-N 0 0 384.483 1.612 20 5 GDBDRN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1CO ZINC000276132842 532320379 /nfs/dbraw/zinc/32/03/79/532320379.db2.gz AWIJPGZJBDWNBR-LDYMZIIASA-N 0 0 379.232 1.749 20 5 GDBDRN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000289406643 532323305 /nfs/dbraw/zinc/32/33/05/532323305.db2.gz APUFMFKULRZFKL-RKDXNWHRSA-N 0 0 382.847 1.444 20 5 GDBDRN COCCOCCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Br ZINC000276328083 532327030 /nfs/dbraw/zinc/32/70/30/532327030.db2.gz IBBJFBCMUFRSRN-UHFFFAOYSA-N 0 0 384.204 1.729 20 5 GDBDRN CNC(=O)[C@H]1CCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289528635 532327187 /nfs/dbraw/zinc/32/71/87/532327187.db2.gz BOIJKQOOUCPAHR-GFCCVEGCSA-N 0 0 389.193 1.910 20 5 GDBDRN CC(C)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289577209 532328198 /nfs/dbraw/zinc/32/81/98/532328198.db2.gz UTLPOKUNAOZSJH-UHFFFAOYSA-N 0 0 393.824 1.876 20 5 GDBDRN C[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1=O ZINC000289631244 532330076 /nfs/dbraw/zinc/33/00/76/532330076.db2.gz RXHJBSAVGAGSTN-NSHDSACASA-N 0 0 379.188 1.341 20 5 GDBDRN O=C1C[C@]2(CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)CN1 ZINC000289789766 532332415 /nfs/dbraw/zinc/33/24/15/532332415.db2.gz IQBWSGZYHILIGK-CYBMUJFWSA-N 0 0 377.781 1.288 20 5 GDBDRN O=C1N[C@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@@H]2CO1 ZINC000289877699 532333519 /nfs/dbraw/zinc/33/35/19/532333519.db2.gz OELCKQPUSKCBFN-XCBNKYQSSA-N 0 0 393.780 1.506 20 5 GDBDRN O=Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c([N+](=O)[O-])c1 ZINC000738314102 598867544 /nfs/dbraw/zinc/86/75/44/598867544.db2.gz QQIOHCUMGTUIHN-UHFFFAOYSA-N 0 0 393.312 1.494 20 5 GDBDRN C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000736132847 598870172 /nfs/dbraw/zinc/87/01/72/598870172.db2.gz XVULTMHGTUZCHW-VIFPVBQESA-N 0 0 392.372 1.954 20 5 GDBDRN COC(=O)[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000736899021 598893334 /nfs/dbraw/zinc/89/33/34/598893334.db2.gz MITWLXVTCOPPTQ-MRXNPFEDSA-N 0 0 397.347 1.775 20 5 GDBDRN O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nn[nH]n3)cc1)CCC2 ZINC000738367300 598900863 /nfs/dbraw/zinc/90/08/63/598900863.db2.gz PZBNAXWHBBYUOF-UHFFFAOYSA-N 0 0 386.393 1.916 20 5 GDBDRN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000737301422 598957202 /nfs/dbraw/zinc/95/72/02/598957202.db2.gz MPWYZWLVEVEOIR-UHFFFAOYSA-N 0 0 379.329 1.990 20 5 GDBDRN COC(=O)COc1cccc(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1 ZINC000736931981 599058679 /nfs/dbraw/zinc/05/86/79/599058679.db2.gz XHMUWCWHEOXNHD-UHFFFAOYSA-N 0 0 384.352 1.939 20 5 GDBDRN Cc1cc(N2CCC[C@H](Nc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000822206846 599107902 /nfs/dbraw/zinc/10/79/02/599107902.db2.gz BDHPMGUYXUGURJ-ZDUSSCGKSA-N 0 0 397.399 1.424 20 5 GDBDRN C[C@H]1CCCN(c2ccc(C(=O)N(CC[NH+](C)C)CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000533186705 596903043 /nfs/dbraw/zinc/90/30/43/596903043.db2.gz NNKCCCGNAVENNO-AWEZNQCLSA-N 0 0 392.456 1.920 20 5 GDBDRN Cc1c(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)cccc1-c1nn[nH]n1 ZINC000822061794 607274763 /nfs/dbraw/zinc/27/47/63/607274763.db2.gz YAFSRPQDFCDFOE-UHFFFAOYSA-N 0 0 381.352 1.338 20 5 GDBDRN Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000822699106 607305744 /nfs/dbraw/zinc/30/57/44/607305744.db2.gz OJHOCXORTCVAQI-IAQYHMDHSA-N 0 0 384.400 1.458 20 5 GDBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(CC[NH+](C)C)CC(=O)[O-])c1 ZINC000821045802 598226045 /nfs/dbraw/zinc/22/60/45/598226045.db2.gz CAWKPJGEYJPVFD-UHFFFAOYSA-N 0 0 379.822 1.194 20 5 GDBDRN Cn1cc(CN2CCCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)cn1 ZINC000737602168 598336937 /nfs/dbraw/zinc/33/69/37/598336937.db2.gz NSDHQTFYYDXXHL-UHFFFAOYSA-N 0 0 383.416 1.221 20 5 GDBDRN O=[N+]([O-])c1cnc(N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(-c2nn[nH]n2)c1 ZINC000738369738 598499700 /nfs/dbraw/zinc/49/97/00/598499700.db2.gz NQBOXCYULJXIJY-BETUJISGSA-N 0 0 378.396 1.743 20 5 GDBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000738247038 598569037 /nfs/dbraw/zinc/56/90/37/598569037.db2.gz MLAQAUURNOCOHA-UHFFFAOYSA-N 0 0 398.358 1.271 20 5 GDBDRN O=C(COc1ccccc1-c1nn[nH]n1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000737929997 598588302 /nfs/dbraw/zinc/58/83/02/598588302.db2.gz LOGCUZZHMJQVEF-UHFFFAOYSA-N 0 0 384.352 1.349 20 5 GDBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000737847286 598591160 /nfs/dbraw/zinc/59/11/60/598591160.db2.gz OKAJSSYSUZBFPC-UHFFFAOYSA-N 0 0 399.342 1.673 20 5 GDBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000738360292 598628821 /nfs/dbraw/zinc/62/88/21/598628821.db2.gz VFEYGMCFLAUWFY-GOSISDBHSA-N 0 0 395.423 1.631 20 5 GDBDRN Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000737372761 598690920 /nfs/dbraw/zinc/69/09/20/598690920.db2.gz JZSYGTDNNYTRDR-UHFFFAOYSA-N 0 0 379.329 1.990 20 5 GDBDRN COC(=O)c1cc(Oc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000736950765 598755843 /nfs/dbraw/zinc/75/58/43/598755843.db2.gz NFNMGMGUJFXWKA-UHFFFAOYSA-N 0 0 387.268 1.657 20 5 GDBDRN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000736797700 599362208 /nfs/dbraw/zinc/36/22/08/599362208.db2.gz JYDNNNWSUBLADB-UHFFFAOYSA-N 0 0 395.387 1.092 20 5 GDBDRN CN(CCN1CCCC1=O)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821601378 599555247 /nfs/dbraw/zinc/55/52/47/599555247.db2.gz DOBRXWFLZOIHCG-UHFFFAOYSA-N 0 0 382.384 1.382 20 5 GDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823118625 599632402 /nfs/dbraw/zinc/63/24/02/599632402.db2.gz JDGISFGEPJRPHN-UHFFFAOYSA-N 0 0 382.262 1.629 20 5 GDBDRN O=[N+]([O-])c1ccc2nc(N3CC[C@@](O)(C(F)(F)F)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645129 599686017 /nfs/dbraw/zinc/68/60/17/599686017.db2.gz OOKGGTZXFVOOJE-AWEZNQCLSA-N 0 0 395.301 1.827 20 5 GDBDRN O=C([O-])[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000274200945 600140784 /nfs/dbraw/zinc/14/07/84/600140784.db2.gz NDIBTOGRQWPVLT-CQSZACIVSA-N 0 0 376.413 1.040 20 5 GDBDRN CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737515424 600592862 /nfs/dbraw/zinc/59/28/62/600592862.db2.gz VHSBPRGYZBHFBY-UHFFFAOYSA-N 0 0 378.429 1.391 20 5 GDBDRN CS(=O)(=O)c1ccc(NCC[NH2+][C@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC000832720254 601137994 /nfs/dbraw/zinc/13/79/94/601137994.db2.gz PJROEJMICPCTQL-INIZCTEOSA-N 0 0 393.421 1.826 20 5 GDBDRN O=C(COCC(F)(F)F)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826416505 607523506 /nfs/dbraw/zinc/52/35/06/607523506.db2.gz CBMHPZPHINFSEA-UHFFFAOYSA-N 0 0 380.670 1.946 20 5 GDBDRN COc1ccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826196758 607586028 /nfs/dbraw/zinc/58/60/28/607586028.db2.gz NAAGNMKBLMPASG-UHFFFAOYSA-N 0 0 397.395 1.536 20 5 GDBDRN C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000824640624 607591650 /nfs/dbraw/zinc/59/16/50/607591650.db2.gz MMTIFGBFPRBBMV-SECBINFHSA-N 0 0 392.372 1.954 20 5 GDBDRN CCCc1n[nH]c(C(=O)NCc2ccc(OC)c(-c3nn[nH]n3)c2)c1[N+](=O)[O-] ZINC000825348695 607628651 /nfs/dbraw/zinc/62/86/51/607628651.db2.gz WSZUUJVXDARDRP-UHFFFAOYSA-N 0 0 386.372 1.389 20 5 GDBDRN C[C@]1([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCCC[C@@H]1C(=O)[O-] ZINC000833568147 605070802 /nfs/dbraw/zinc/07/08/02/605070802.db2.gz DXLAUHCAPXOPMA-QGHHPUGFSA-N 0 0 379.369 1.885 20 5 GDBDRN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000833626166 605092724 /nfs/dbraw/zinc/09/27/24/605092724.db2.gz PAMDNPMTIFPFQQ-SNVBAGLBSA-N 0 0 387.339 1.817 20 5 GDBDRN CC(C)[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000824200011 607734851 /nfs/dbraw/zinc/73/48/51/607734851.db2.gz NZKSHXGNRIJRJE-LLVKDONJSA-N 0 0 397.359 1.752 20 5 GDBDRN CC(=O)N1CC[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000823972655 607735635 /nfs/dbraw/zinc/73/56/35/607735635.db2.gz DTNZDHDRLXNXQS-ZUZCIYMTSA-N 0 0 396.411 1.992 20 5 GDBDRN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000833613738 605392066 /nfs/dbraw/zinc/39/20/66/605392066.db2.gz HAKYDSBMTMBMNU-NEPJUHHUSA-N 0 0 385.442 1.692 20 5 GDBDRN CCOC(=O)c1cc(NCCNc2ncccc2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000821337834 606240465 /nfs/dbraw/zinc/24/04/65/606240465.db2.gz OFMQEZHMMODXPJ-UHFFFAOYSA-N 0 0 398.383 1.871 20 5 GDBDRN Cn1cc(-c2nn[nH]n2)cc1C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000822655650 606389292 /nfs/dbraw/zinc/38/92/92/606389292.db2.gz RGTMSYFZGVPXOO-AWEZNQCLSA-N 0 0 397.351 1.076 20 5 GDBDRN Cc1ccc([C@@H](C)N[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822229481 606417263 /nfs/dbraw/zinc/41/72/63/606417263.db2.gz VRLKWPZVGBVHHO-BZNIZROVSA-N 0 0 381.396 1.961 20 5 GDBDRN CN(C[C@H](O)COCc1ccccc1)c1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000821595099 606645398 /nfs/dbraw/zinc/64/53/98/606645398.db2.gz MUGPBIFOCJBSCD-HNNXBMFYSA-N 0 0 384.396 1.789 20 5 GDBDRN Cc1cc(C)n(-c2ccc(CNc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])cn2)n1 ZINC000822197488 606700235 /nfs/dbraw/zinc/70/02/35/606700235.db2.gz CHIRTQYXMUYKSP-UHFFFAOYSA-N 0 0 392.383 1.980 20 5 GDBDRN Cc1cc(N2CCC[C@@H](Nc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)nc(C)n1 ZINC000822207303 606709021 /nfs/dbraw/zinc/70/90/21/606709021.db2.gz RBKJDPCCEHQXFQ-GFCCVEGCSA-N 0 0 396.415 1.658 20 5 GDBDRN COc1ccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1N1CCOC1=O ZINC000821837951 606714053 /nfs/dbraw/zinc/71/40/53/606714053.db2.gz IEHXQEOCMVSIJJ-UHFFFAOYSA-N 0 0 398.339 1.879 20 5 GDBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000823620463 606717305 /nfs/dbraw/zinc/71/73/05/606717305.db2.gz LFNSNHNPCULCQF-ZDUSSCGKSA-N 0 0 389.416 1.724 20 5 GDBDRN O=[N+]([O-])c1ccc2nc(N3CCO[C@H]([C@@H]4CCCO4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823644701 606802788 /nfs/dbraw/zinc/80/27/88/606802788.db2.gz KPTYFWBGBUZVCW-HOTGVXAUSA-N 0 0 397.395 1.707 20 5 GDBDRN 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/nfs/dbraw/zinc/46/58/93/531465893.db2.gz QADSKIDVFUCPCG-UHFFFAOYSA-N 0 0 375.357 1.413 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(C2)CCOC3)cc1Br ZINC000294290594 531472051 /nfs/dbraw/zinc/47/20/51/531472051.db2.gz WLOSAPJTKZPVBE-UHFFFAOYSA-N 0 0 377.216 1.768 20 5 GDBDRN CC[C@@H]1CN(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000487406876 531472552 /nfs/dbraw/zinc/47/25/52/531472552.db2.gz ZJUOOOUEYKBCNE-LLVKDONJSA-N 0 0 377.850 1.637 20 5 GDBDRN CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2ncc([N+](=O)[O-])cc2Br)C1=O ZINC000363429068 531485552 /nfs/dbraw/zinc/48/55/52/531485552.db2.gz HFVIBZRVFKPSHY-XLKFXECMSA-N 0 0 398.217 1.885 20 5 GDBDRN COc1cc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000268228170 531486315 /nfs/dbraw/zinc/48/63/15/531486315.db2.gz DUMXBBLFJRMZFG-UHFFFAOYSA-N 0 0 375.403 1.406 20 5 GDBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](O)CC1 ZINC000294682100 531491830 /nfs/dbraw/zinc/49/18/30/531491830.db2.gz UYLFJGHOQQBNME-SNVBAGLBSA-N 0 0 386.202 1.669 20 5 GDBDRN CNS(=O)(=O)c1ccc(N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000450888154 531518568 /nfs/dbraw/zinc/51/85/68/531518568.db2.gz ZVVHNZISHFLWBR-PRHODGIISA-N 0 0 383.348 1.252 20 5 GDBDRN C[C@]1(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCO1 ZINC000556525129 531496353 /nfs/dbraw/zinc/49/63/53/531496353.db2.gz GCMVSYYTVORSGF-CQSZACIVSA-N 0 0 386.202 1.981 20 5 GDBDRN NC(=O)c1nn(C[C@@H](O)COc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000489418283 531499803 /nfs/dbraw/zinc/49/98/03/531499803.db2.gz JFHYNTAQTGYZNR-SECBINFHSA-N 0 0 385.174 1.093 20 5 GDBDRN CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610931917 531519275 /nfs/dbraw/zinc/51/92/75/531519275.db2.gz YFTWAIKAGRGCAF-NSHDSACASA-N 0 0 380.806 1.447 20 5 GDBDRN CSc1cccc(C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)c1[N+](=O)[O-] ZINC000363926730 531520787 /nfs/dbraw/zinc/52/07/87/531520787.db2.gz KYCVMHKXUNJQFT-NSHDSACASA-N 0 0 387.483 1.859 20 5 GDBDRN CCn1cc(S(=O)(=O)N[C@H](CO)c2cc(F)ccc2F)c([N+](=O)[O-])n1 ZINC000611105934 531529458 /nfs/dbraw/zinc/52/94/58/531529458.db2.gz HYDKINZQRRORHO-LLVKDONJSA-N 0 0 376.341 1.101 20 5 GDBDRN Cc1nc(NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000611238124 531531023 /nfs/dbraw/zinc/53/10/23/531531023.db2.gz BREHSBYEBQIFBG-UHFFFAOYSA-N 0 0 385.427 1.460 20 5 GDBDRN CN(Cc1nc[nH]n1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000551555644 531540091 /nfs/dbraw/zinc/54/00/91/531540091.db2.gz WSUMCGDIDVVJJC-UHFFFAOYSA-N 0 0 376.192 1.296 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(Br)c1 ZINC000612145448 531546090 /nfs/dbraw/zinc/54/60/90/531546090.db2.gz CGLIYVBFBCWEKD-MKPLZMMCSA-N 0 0 391.243 1.749 20 5 GDBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000612144794 531546780 /nfs/dbraw/zinc/54/67/80/531546780.db2.gz RDUNEIZXIJPVBT-CKLFPEKLSA-N 0 0 391.243 1.749 20 5 GDBDRN COC(=O)[C@H](C)N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000280841040 531547287 /nfs/dbraw/zinc/54/72/87/531547287.db2.gz CGGPTPVBMZYGGD-ZETCQYMHSA-N 0 0 381.204 1.539 20 5 GDBDRN CCOC(=O)C[C@H]1C[C@H](OC)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000364285821 531551693 /nfs/dbraw/zinc/55/16/93/531551693.db2.gz ARNKLKHGMKMXTQ-ZJUUUORDSA-N 0 0 378.428 1.388 20 5 GDBDRN CCSCC[C@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280984249 531563234 /nfs/dbraw/zinc/56/32/34/531563234.db2.gz PVIIIVQJLOTCIW-NSHDSACASA-N 0 0 375.472 1.521 20 5 GDBDRN Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)c1[N+](=O)[O-] ZINC000553649362 531570941 /nfs/dbraw/zinc/57/09/41/531570941.db2.gz SNCZOGHUJRPXJM-SNVBAGLBSA-N 0 0 394.185 1.534 20 5 GDBDRN Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000553649904 531570990 /nfs/dbraw/zinc/57/09/90/531570990.db2.gz XVJYGHJRIGSKON-UHFFFAOYSA-N 0 0 386.817 1.593 20 5 GDBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CC[S@](C)=O ZINC000268789438 531571721 /nfs/dbraw/zinc/57/17/21/531571721.db2.gz FZYJQLXAKGJQKW-VCGICTTQSA-N 0 0 379.460 1.346 20 5 GDBDRN CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000416338344 531576246 /nfs/dbraw/zinc/57/62/46/531576246.db2.gz IVAUPPWHPFGTTC-SNVBAGLBSA-N 0 0 377.369 1.068 20 5 GDBDRN COc1c(F)cc(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000493887349 531581913 /nfs/dbraw/zinc/58/19/13/531581913.db2.gz CVQNCULQWKKKDA-ZCFIWIBFSA-N 0 0 376.284 1.334 20 5 GDBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@@H](CO)[C@@H]1CCOC1 ZINC000281140963 531585121 /nfs/dbraw/zinc/58/51/21/531585121.db2.gz ZOGROWMMHRUTEU-ZJUUUORDSA-N 0 0 380.369 1.648 20 5 GDBDRN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416373289 531585994 /nfs/dbraw/zinc/58/59/94/531585994.db2.gz OOCSQJJZFPKSGG-VIFPVBQESA-N 0 0 381.332 1.513 20 5 GDBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c1C ZINC000268914412 531588737 /nfs/dbraw/zinc/58/87/37/531588737.db2.gz ZQZRPVNYEVOSGT-VXGBXAGGSA-N 0 0 376.456 1.408 20 5 GDBDRN C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1O ZINC000494296766 531594142 /nfs/dbraw/zinc/59/41/42/531594142.db2.gz XTDHAHNNRYPAHT-PRHODGIISA-N 0 0 379.232 1.749 20 5 GDBDRN C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000494286199 531594248 /nfs/dbraw/zinc/59/42/48/531594248.db2.gz XOGLBYOHWSYWHP-ZETCQYMHSA-N 0 0 382.225 1.753 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2CCO)c(Br)c1 ZINC000494306103 531596031 /nfs/dbraw/zinc/59/60/31/531596031.db2.gz BUYCSEARWATAHC-VIFPVBQESA-N 0 0 379.232 1.893 20 5 GDBDRN C[C@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[S@]1=O ZINC000583848691 531599537 /nfs/dbraw/zinc/59/95/37/531599537.db2.gz CDKJXQHIUDHUCQ-BSNNYGBQSA-N 0 0 375.472 1.192 20 5 GDBDRN COC(=O)[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000281270252 531598623 /nfs/dbraw/zinc/59/86/23/531598623.db2.gz SFJGDCUACICSEM-ZETCQYMHSA-N 0 0 392.149 1.833 20 5 GDBDRN NS(=O)(=O)c1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000494474327 531607980 /nfs/dbraw/zinc/60/79/80/531607980.db2.gz MCZCDKVCEICGAM-UHFFFAOYSA-N 0 0 385.423 1.227 20 5 GDBDRN COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000416452667 531619898 /nfs/dbraw/zinc/61/98/98/531619898.db2.gz CXPHYYMKIVLYPB-SECBINFHSA-N 0 0 385.423 1.920 20 5 GDBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CSCCS1 ZINC000281507440 531626412 /nfs/dbraw/zinc/62/64/12/531626412.db2.gz REEBELMTJPTLLL-NSHDSACASA-N 0 0 385.467 1.897 20 5 GDBDRN C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560172525 531627330 /nfs/dbraw/zinc/62/73/30/531627330.db2.gz RTBVPHYLMNATIC-SECBINFHSA-N 0 0 396.201 1.697 20 5 GDBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCN1C(=O)CSC1=O ZINC000269258372 531629784 /nfs/dbraw/zinc/62/97/84/531629784.db2.gz AVMLIBBULINOHB-UHFFFAOYSA-N 0 0 393.830 1.530 20 5 GDBDRN Cn1ccc(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000497948570 531633062 /nfs/dbraw/zinc/63/30/62/531633062.db2.gz HDHKJRWIYFJIQT-UHFFFAOYSA-N 0 0 375.204 1.569 20 5 GDBDRN COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000269267495 531631690 /nfs/dbraw/zinc/63/16/90/531631690.db2.gz DYSMROWZAKAFCC-ZETCQYMHSA-N 0 0 381.204 1.445 20 5 GDBDRN CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000499250109 531643556 /nfs/dbraw/zinc/64/35/56/531643556.db2.gz LMSPNRGLDNLZGZ-VHSXEESVSA-N 0 0 378.834 1.955 20 5 GDBDRN CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000499250105 531644843 /nfs/dbraw/zinc/64/48/43/531644843.db2.gz LMSPNRGLDNLZGZ-NXEZZACHSA-N 0 0 378.834 1.955 20 5 GDBDRN O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)CCc2cccs2)CC1 ZINC000416493835 531645821 /nfs/dbraw/zinc/64/58/21/531645821.db2.gz GOSWTWXQYYSCPE-UHFFFAOYSA-N 0 0 382.467 1.746 20 5 GDBDRN CCN(CC)S(=O)(=O)CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149472 531635438 /nfs/dbraw/zinc/63/54/38/531635438.db2.gz LGAMDZCZGMRULC-HNNXBMFYSA-N 0 0 387.483 1.840 20 5 GDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCN2C(=O)CC[C@H]2C1 ZINC000498742154 531639597 /nfs/dbraw/zinc/63/95/97/531639597.db2.gz HQJPDTJFMLMYGG-LBPRGKRZSA-N 0 0 382.214 1.733 20 5 GDBDRN Cc1cc(S(=O)(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416481417 531639767 /nfs/dbraw/zinc/63/97/67/531639767.db2.gz BQEPVWYCPOFCDY-VXGBXAGGSA-N 0 0 376.456 1.408 20 5 GDBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C ZINC000269309556 531640606 /nfs/dbraw/zinc/64/06/06/531640606.db2.gz UZXXKJOMASTZGF-NSHDSACASA-N 0 0 393.874 1.708 20 5 GDBDRN COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000269305885 531640700 /nfs/dbraw/zinc/64/07/00/531640700.db2.gz UEFAYTVSRVAXJL-NSHDSACASA-N 0 0 378.790 1.119 20 5 GDBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000416482797 531641330 /nfs/dbraw/zinc/64/13/30/531641330.db2.gz ZVZUOVCRJAXHSB-AOOOYVTPSA-N 0 0 382.316 1.402 20 5 GDBDRN CN(C(C)(C)C(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000296065733 531649317 /nfs/dbraw/zinc/64/93/17/531649317.db2.gz DDSBTKSEYYPKSG-UHFFFAOYSA-N 0 0 380.220 1.242 20 5 GDBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H](CO)SC ZINC000269343443 531650369 /nfs/dbraw/zinc/65/03/69/531650369.db2.gz LCCORRZVTQAXHA-SKDRFNHKSA-N 0 0 379.460 1.301 20 5 GDBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCS(=O)(=O)CC1 ZINC000365452587 531650980 /nfs/dbraw/zinc/65/09/80/531650980.db2.gz CKGWDVYPPGZTPP-UHFFFAOYSA-N 0 0 379.341 1.849 20 5 GDBDRN C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000451630457 531652384 /nfs/dbraw/zinc/65/23/84/531652384.db2.gz LRGHNNGWYITMQJ-YGRLFVJLSA-N 0 0 383.246 1.932 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCCN2CCO)c(Cl)c1 ZINC000451653275 531654802 /nfs/dbraw/zinc/65/48/02/531654802.db2.gz AIPQGRSWJSPHNR-GFCCVEGCSA-N 0 0 377.850 1.373 20 5 GDBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000501013994 531671396 /nfs/dbraw/zinc/67/13/96/531671396.db2.gz HNDOEYUCNBIAMI-CYBMUJFWSA-N 0 0 382.360 1.856 20 5 GDBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000451657887 531656817 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20 5 GDBDRN CCCCS[C@H](C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609725516 652856515 /nfs/dbraw/zinc/85/65/15/652856515.db2.gz SUHOOYOAYCETLM-GFCCVEGCSA-N 0 0 389.499 1.911 20 5 GDBDRN CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000609902092 652861546 /nfs/dbraw/zinc/86/15/46/652861546.db2.gz YRQPIGCQMPFYDG-CYBMUJFWSA-N 0 0 390.483 1.881 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCOC[C@@H]2CCOC2)c(Cl)c1 ZINC000610135879 652872395 /nfs/dbraw/zinc/87/23/95/652872395.db2.gz UDIOJJXXCUWPKJ-NSHDSACASA-N 0 0 378.834 1.970 20 5 GDBDRN Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000610135941 652872426 /nfs/dbraw/zinc/87/24/26/652872426.db2.gz AHGBDBMXYWJENV-RYUDHWBXSA-N 0 0 376.456 1.537 20 5 GDBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCCS(=O)(=O)C1 ZINC000610167123 652875942 /nfs/dbraw/zinc/87/59/42/652875942.db2.gz FAUMWIZDLSQESE-QMMMGPOBSA-N 0 0 379.341 1.895 20 5 GDBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000610409114 652883012 /nfs/dbraw/zinc/88/30/12/652883012.db2.gz HLWSTHIROMLYHG-QPUJVOFHSA-N 0 0 384.332 1.944 20 5 GDBDRN NS(=O)(=O)[C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000611117589 652905687 /nfs/dbraw/zinc/90/56/87/652905687.db2.gz HUSSALJYZQONHJ-MRVPVSSYSA-N 0 0 397.194 1.067 20 5 GDBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000611199186 652911120 /nfs/dbraw/zinc/91/11/20/652911120.db2.gz GTEYUEJURGDNFF-UHFFFAOYSA-N 0 0 387.483 1.861 20 5 GDBDRN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611499374 652918778 /nfs/dbraw/zinc/91/87/78/652918778.db2.gz GOSYNISLKZGVOD-GFCCVEGCSA-N 0 0 375.834 1.331 20 5 GDBDRN Cc1c(Br)c(N2CCC[C@H](CS(N)(=O)=O)C2)ncc1[N+](=O)[O-] ZINC000612444723 652935886 /nfs/dbraw/zinc/93/58/86/652935886.db2.gz CKOQBBUIDALRCK-VIFPVBQESA-N 0 0 393.263 1.566 20 5 GDBDRN C[C@@]1(CO)CCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000615292945 652962505 /nfs/dbraw/zinc/96/25/05/652962505.db2.gz XOMRWDRGYWRUQX-LBPRGKRZSA-N 0 0 379.232 1.893 20 5 GDBDRN NC(=O)C1(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000618467681 652982756 /nfs/dbraw/zinc/98/27/56/652982756.db2.gz RBPUKBZJJGJGMN-UHFFFAOYSA-N 0 0 378.204 1.183 20 5 GDBDRN Cc1csc(Sc2ccc(C(=O)NC[C@@H](O)C(N)=O)cc2[N+](=O)[O-])n1 ZINC000618923642 652984733 /nfs/dbraw/zinc/98/47/33/652984733.db2.gz JLMSPDLQZHQYTD-SNVBAGLBSA-N 0 0 382.423 1.087 20 5 GDBDRN CCN1CC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1=O ZINC000619797707 652989638 /nfs/dbraw/zinc/98/96/38/652989638.db2.gz LYEGNJMJRMZOJI-NSHDSACASA-N 0 0 392.231 1.256 20 5 GDBDRN CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768803965 654431515 /nfs/dbraw/zinc/43/15/15/654431515.db2.gz SKQFCQPVLSXGFJ-JTQLQIEISA-N 0 0 382.485 1.634 20 5 GDBDRN CC(C)CCNC(=O)[C@H]1CSCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768833595 654434231 /nfs/dbraw/zinc/43/42/31/654434231.db2.gz GXBNFHKAYCDDIR-LLVKDONJSA-N 0 0 393.512 1.882 20 5 GDBDRN CS(=O)(=O)Cc1cccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768837137 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395.231 1.128 20 5 GDBDRN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000769826845 654484829 /nfs/dbraw/zinc/48/48/29/654484829.db2.gz YGJKTDNRGLRCPH-ZCFIWIBFSA-N 0 0 389.162 1.143 20 5 GDBDRN O=C(OCC(F)(F)F)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000733015296 654496004 /nfs/dbraw/zinc/49/60/04/654496004.db2.gz WTVBVKCOBIOHHC-LLVKDONJSA-N 0 0 382.316 1.853 20 5 GDBDRN O=C(COC(=O)C1CCS(=O)(=O)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000733030270 654497436 /nfs/dbraw/zinc/49/74/36/654497436.db2.gz XINVTUQEDIXHMI-UHFFFAOYSA-N 0 0 390.801 1.555 20 5 GDBDRN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000771634738 654543769 /nfs/dbraw/zinc/54/37/69/654543769.db2.gz JIGOPXUHDWZBQD-LBPRGKRZSA-N 0 0 399.249 1.935 20 5 GDBDRN O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)NC(=O)NCC(F)(F)F ZINC000736864349 654604841 /nfs/dbraw/zinc/60/48/41/654604841.db2.gz QYRAMRQISSEUEX-UHFFFAOYSA-N 0 0 383.666 1.793 20 5 GDBDRN CNS(=O)(=O)C[C@@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 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ZINC000286328781 532143812 /nfs/dbraw/zinc/14/38/12/532143812.db2.gz LKOHURRYVYKTNK-QWRGUYRKSA-N 0 0 375.472 1.359 20 5 GDBDRN CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000273333273 532144620 /nfs/dbraw/zinc/14/46/20/532144620.db2.gz KJHFZAFIBGUWEX-SNVBAGLBSA-N 0 0 378.859 1.986 20 5 GDBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000375072219 532145974 /nfs/dbraw/zinc/14/59/74/532145974.db2.gz YIJSUPIFHJPBTK-SNVBAGLBSA-N 0 0 384.186 1.942 20 5 GDBDRN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273371544 532146599 /nfs/dbraw/zinc/14/65/99/532146599.db2.gz AQLBSTIJGHSWDM-LSDHHAIUSA-N 0 0 390.483 1.314 20 5 GDBDRN Cc1cc(S(=O)(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000273390404 532147734 /nfs/dbraw/zinc/14/77/34/532147734.db2.gz DCUXCQDHHAYUQC-UHFFFAOYSA-N 0 0 388.423 1.557 20 5 GDBDRN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286406654 532147776 /nfs/dbraw/zinc/14/77/76/532147776.db2.gz QAGZWVFWSMAKQD-PELKAZGASA-N 0 0 383.348 1.239 20 5 GDBDRN Cc1cc(Br)c(NC(=O)C(=O)N[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000273397807 532148069 /nfs/dbraw/zinc/14/80/69/532148069.db2.gz WPOHDVFHHRIJJT-LLVKDONJSA-N 0 0 388.218 1.737 20 5 GDBDRN CCc1nnc(NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000273400985 532148458 /nfs/dbraw/zinc/14/84/58/532148458.db2.gz IPDLTJNGVDCZGP-UHFFFAOYSA-N 0 0 385.427 1.604 20 5 GDBDRN NS(=O)(=O)c1cccc(N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000286422243 532149442 /nfs/dbraw/zinc/14/94/42/532149442.db2.gz RESGDRWODAQMQW-BDAKNGLRSA-N 0 0 383.348 1.239 20 5 GDBDRN Cc1c(Br)cc(S(=O)(=O)N(C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000331921621 532156001 /nfs/dbraw/zinc/15/60/01/532156001.db2.gz FOHKKQCCQDTNLR-UHFFFAOYSA-N 0 0 379.232 1.811 20 5 GDBDRN CC(C)(O)CCNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000286514888 532156011 /nfs/dbraw/zinc/15/60/11/532156011.db2.gz SATUPHHHWPAZOK-UHFFFAOYSA-N 0 0 385.211 1.936 20 5 GDBDRN COc1nc(N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)ncc1Br ZINC000273968862 532177999 /nfs/dbraw/zinc/17/79/99/532177999.db2.gz OWSGHSCKHVGFAB-UHFFFAOYSA-N 0 0 396.205 1.273 20 5 GDBDRN CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273965863 532178572 /nfs/dbraw/zinc/17/85/72/532178572.db2.gz ONHODIRXORHYKA-UHFFFAOYSA-N 0 0 391.471 1.029 20 5 GDBDRN Cc1nnc([C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CCO2)[nH]1 ZINC000332320200 532179736 /nfs/dbraw/zinc/17/97/36/532179736.db2.gz NNLCQTRRVWKZIK-LBPRGKRZSA-N 0 0 396.201 1.998 20 5 GDBDRN O=C(NC[C@H]1CCCS(=O)(=O)C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000286718528 532171469 /nfs/dbraw/zinc/17/14/69/532171469.db2.gz KIKZFPDAOYGHQN-SSDOTTSWSA-N 0 0 397.272 1.973 20 5 GDBDRN CCS(=O)(=O)NCCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273808113 532172163 /nfs/dbraw/zinc/17/21/63/532172163.db2.gz AGLAAKHVEOCRSC-UHFFFAOYSA-N 0 0 375.422 1.457 20 5 GDBDRN CNS(=O)(=O)C[C@@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000426883795 532172256 /nfs/dbraw/zinc/17/22/56/532172256.db2.gz URIAXUVNNBCCGQ-JTQLQIEISA-N 0 0 378.248 1.875 20 5 GDBDRN C[C@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000375632764 532173979 /nfs/dbraw/zinc/17/39/79/532173979.db2.gz WTRNKPQUMBLRAV-AAEUAGOBSA-N 0 0 389.861 1.732 20 5 GDBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ncccc1Cl ZINC000428184309 532200422 /nfs/dbraw/zinc/20/04/22/532200422.db2.gz OKTVUCLJPZZPER-UHFFFAOYSA-N 0 0 384.801 1.352 20 5 GDBDRN C[C@@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)(F)F ZINC000274287145 532200627 /nfs/dbraw/zinc/20/06/27/532200627.db2.gz DHEXAJKBTKNNBN-GFCCVEGCSA-N 0 0 379.316 1.735 20 5 GDBDRN CNC(=O)OC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000287310642 532207173 /nfs/dbraw/zinc/20/71/73/532207173.db2.gz DYMPRPGVYAZIAN-LLVKDONJSA-N 0 0 375.378 1.633 20 5 GDBDRN CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000274398162 532208120 /nfs/dbraw/zinc/20/81/20/532208120.db2.gz UONRFRSMEMLLSX-UHFFFAOYSA-N 0 0 387.439 1.198 20 5 GDBDRN C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000274406764 532208788 /nfs/dbraw/zinc/20/87/88/532208788.db2.gz VZCOVPOTQCJXTN-VLBDKCSNSA-N 0 0 383.451 1.673 20 5 GDBDRN Cc1c(NCC(=O)N[C@H](C)C(=O)N(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000429798262 532234466 /nfs/dbraw/zinc/23/44/66/532234466.db2.gz GGTUHEOWWPUFET-SECBINFHSA-N 0 0 387.234 1.671 20 5 GDBDRN O=C([C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1)N1CCCC1 ZINC000287578361 532225167 /nfs/dbraw/zinc/22/51/67/532225167.db2.gz XIBCMSCEWOWYBN-LLVKDONJSA-N 0 0 387.845 1.881 20 5 GDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430118392 532242088 /nfs/dbraw/zinc/24/20/88/532242088.db2.gz DRQUTNAKPSLJSQ-LBPRGKRZSA-N 0 0 397.229 1.521 20 5 GDBDRN CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275048136 532257822 /nfs/dbraw/zinc/25/78/22/532257822.db2.gz GCSMIYHHSWELEM-LLVKDONJSA-N 0 0 375.378 1.032 20 5 GDBDRN CC[C@H](C)[C@@H](O)CNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000275053977 532258753 /nfs/dbraw/zinc/25/87/53/532258753.db2.gz IGMZDUVRIWZNJR-ZANVPECISA-N 0 0 375.403 1.458 20 5 GDBDRN COc1c(F)cc(S(=O)(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000275076045 532261484 /nfs/dbraw/zinc/26/14/84/532261484.db2.gz MAKKCEBWAPGUAK-LVPZIMMTSA-N 0 0 380.419 1.273 20 5 GDBDRN COc1c(F)cc(S(=O)(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000275076038 532262051 /nfs/dbraw/zinc/26/20/51/532262051.db2.gz MAKKCEBWAPGUAK-KLDKYJJHSA-N 0 0 380.419 1.273 20 5 GDBDRN O=c1c(Br)cn(-c2ncnc3c2ncn3C2CC2)cc1[N+](=O)[O-] ZINC000431406999 532265743 /nfs/dbraw/zinc/26/57/43/532265743.db2.gz MVUYEMMKZOMMSI-UHFFFAOYSA-N 0 0 377.158 1.983 20 5 GDBDRN O=C1NCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000377846083 532275736 /nfs/dbraw/zinc/27/57/36/532275736.db2.gz YPZXHYHAJCCYAK-AWEZNQCLSA-N 0 0 381.435 1.659 20 5 GDBDRN COc1c(F)cc(S(=O)(=O)NC[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000275455215 532295959 /nfs/dbraw/zinc/29/59/59/532295959.db2.gz UKOXFENYFSLSGA-JTQLQIEISA-N 0 0 376.284 1.334 20 5 GDBDRN COCCCN(CCO)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000275501429 532298374 /nfs/dbraw/zinc/29/83/74/532298374.db2.gz RCGZTCPBUNMSGZ-UHFFFAOYSA-N 0 0 397.247 1.377 20 5 GDBDRN Cc1c(Br)c(N[C@H]2CCCN(S(C)(=O)=O)C2)ncc1[N+](=O)[O-] ZINC000400199361 532303634 /nfs/dbraw/zinc/30/36/34/532303634.db2.gz ZRZQAQGCBXTVMN-VIFPVBQESA-N 0 0 393.263 1.897 20 5 GDBDRN COCCO[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000275687665 532305577 /nfs/dbraw/zinc/30/55/77/532305577.db2.gz QJTUFMDOJRGKAP-LLVKDONJSA-N 0 0 378.834 1.983 20 5 GDBDRN COCCn1cc2c(n1)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000378543321 532291148 /nfs/dbraw/zinc/29/11/48/532291148.db2.gz IZLYKMBQDJGYBH-LLVKDONJSA-N 0 0 386.455 1.855 20 5 GDBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1sc(C)nc1C ZINC000276262468 532325163 /nfs/dbraw/zinc/32/51/63/532325163.db2.gz UIQGZZYEXLRBHT-UHFFFAOYSA-N 0 0 385.423 1.933 20 5 GDBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1csc(C)n1 ZINC000276285848 532325788 /nfs/dbraw/zinc/32/57/88/532325788.db2.gz YMGZQHVHFRTPKY-UHFFFAOYSA-N 0 0 385.423 1.667 20 5 GDBDRN Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000289404410 532323245 /nfs/dbraw/zinc/32/32/45/532323245.db2.gz AJQBQDZCVAEHLE-UWVGGRQHSA-N 0 0 396.874 1.753 20 5 GDBDRN CCOC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000289686293 532330722 /nfs/dbraw/zinc/33/07/22/532330722.db2.gz CTNMMTNZKGABRP-JTQLQIEISA-N 0 0 380.831 1.875 20 5 GDBDRN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000289688965 532330742 /nfs/dbraw/zinc/33/07/42/532330742.db2.gz XKWSNKBMYSYQLT-RKDXNWHRSA-N 0 0 382.847 1.444 20 5 GDBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCCOCC2)c(Cl)cc1Cl ZINC000289680393 532330752 /nfs/dbraw/zinc/33/07/52/532330752.db2.gz COXQEUWMWZSCNZ-UHFFFAOYSA-N 0 0 398.268 1.902 20 5 GDBDRN Cc1cc(S(=O)(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000289691503 532330937 /nfs/dbraw/zinc/33/09/37/532330937.db2.gz XPDOWASQLYRLNN-NXEZZACHSA-N 0 0 380.419 1.238 20 5 GDBDRN COC[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000289766535 532331822 /nfs/dbraw/zinc/33/18/22/532331822.db2.gz HHXJQKAHECZYKB-JQWIXIFHSA-N 0 0 382.797 1.860 20 5 GDBDRN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H](CO)[C@@H]2CCOC2)c(Cl)cc1Cl ZINC000289927615 532334183 /nfs/dbraw/zinc/33/41/83/532334183.db2.gz RDFHWMOLSDIGCE-RKDXNWHRSA-N 0 0 399.252 1.825 20 5 GDBDRN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008890574 206262081 /nfs/dbraw/zinc/26/20/81/206262081.db2.gz KGEPZOGCONACBG-IBGZPJMESA-N 0 0 380.360 1.927 20 5 GDBDRN CNC(=O)c1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000016016062 207070629 /nfs/dbraw/zinc/07/06/29/207070629.db2.gz HZTOYQKDBSEPSV-UHFFFAOYSA-N 0 0 382.332 1.189 20 5 GDBDRN COC(=O)c1ccc(OCC(=O)N2CCC(C(=O)OC)CC2)c([N+](=O)[O-])c1 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ZINC000596288206 531916219 /nfs/dbraw/zinc/91/62/19/531916219.db2.gz DNUIBVCSLIEINJ-CQSZACIVSA-N 0 0 376.818 1.651 20 5 GDBDRN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000456731860 531933569 /nfs/dbraw/zinc/93/35/69/531933569.db2.gz USJPLULXUBMDBY-JTQLQIEISA-N 0 0 397.229 1.970 20 5 GDBDRN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000456729127 531933753 /nfs/dbraw/zinc/93/37/53/531933753.db2.gz SLGAJCUSJOMPOU-SNVBAGLBSA-N 0 0 397.229 1.970 20 5 GDBDRN CC[C@@H](CNS(C)(=O)=O)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092641 531939055 /nfs/dbraw/zinc/93/90/55/531939055.db2.gz POYJVIMDJFPPID-QMMMGPOBSA-N 0 0 379.826 1.280 20 5 GDBDRN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC(O)(c3ccc(Cl)cc3)C2)c1 ZINC000369153211 531945057 /nfs/dbraw/zinc/94/50/57/531945057.db2.gz QDJBASUSRZVHOA-UHFFFAOYSA-N 0 0 383.813 1.603 20 5 GDBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H](O)C(F)(F)F ZINC000270947118 531947210 /nfs/dbraw/zinc/94/72/10/531947210.db2.gz YRUGKXYIFZJGSF-MNOVXSKESA-N 0 0 384.332 1.430 20 5 GDBDRN COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000457263852 531950982 /nfs/dbraw/zinc/95/09/82/531950982.db2.gz MMOMLYQNJCABSF-CABZTGNLSA-N 0 0 387.186 1.414 20 5 GDBDRN O=C(NC[C@]1(OCCO)CCOC1)c1ccc([N+](=O)[O-])cc1Br ZINC000597994257 531963663 /nfs/dbraw/zinc/96/36/63/531963663.db2.gz JCEWEVZOSVXGDL-CQSZACIVSA-N 0 0 389.202 1.255 20 5 GDBDRN C[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000598014103 531965073 /nfs/dbraw/zinc/96/50/73/531965073.db2.gz CZHSWUDYOXPESM-JTQLQIEISA-N 0 0 384.439 1.597 20 5 GDBDRN COCc1n[nH]c(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 ZINC000598051552 531967796 /nfs/dbraw/zinc/96/77/96/531967796.db2.gz VNZXILHOWPWEJX-UHFFFAOYSA-N 0 0 384.190 1.860 20 5 GDBDRN CC(C)N(CCS(C)(=O)=O)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271131537 531970663 /nfs/dbraw/zinc/97/06/63/531970663.db2.gz SCSOFJHJPCRQHO-UHFFFAOYSA-N 0 0 378.472 1.222 20 5 GDBDRN C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H](C)S1(=O)=O ZINC000299250375 531972111 /nfs/dbraw/zinc/97/21/11/531972111.db2.gz JSSLMCRKQHXYPY-RKDXNWHRSA-N 0 0 389.817 1.221 20 5 GDBDRN O=C(CCN1CCCS1(=O)=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000299269924 531974532 /nfs/dbraw/zinc/97/45/32/531974532.db2.gz ASVSSXULCIAHGI-UHFFFAOYSA-N 0 0 379.341 1.560 20 5 GDBDRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000598024362 531964341 /nfs/dbraw/zinc/96/43/41/531964341.db2.gz AOQUHENBUKIWIG-QWRGUYRKSA-N 0 0 382.316 1.155 20 5 GDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000573350336 531979719 /nfs/dbraw/zinc/97/97/19/531979719.db2.gz RLLFZAAZBRDXHH-NSHDSACASA-N 0 0 394.185 1.085 20 5 GDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOc2cc(Br)ccc2C1 ZINC000598479744 531983610 /nfs/dbraw/zinc/98/36/10/531983610.db2.gz OYCZXVYKXZSIDV-UHFFFAOYSA-N 0 0 381.186 1.975 20 5 GDBDRN CC(C)(C)C(F)(F)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000598464693 531984127 /nfs/dbraw/zinc/98/41/27/531984127.db2.gz LRPJEDXWBBURFH-UHFFFAOYSA-N 0 0 379.385 1.671 20 5 GDBDRN O=C(NCCOCCF)c1cc(I)cc([N+](=O)[O-])c1 ZINC000598559460 531986075 /nfs/dbraw/zinc/98/60/75/531986075.db2.gz HUYDFIGWYXTAKG-UHFFFAOYSA-N 0 0 382.129 1.915 20 5 GDBDRN C[C@]1(C(F)F)CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCO1 ZINC000598573127 531987263 /nfs/dbraw/zinc/98/72/63/531987263.db2.gz OYGFWUYTJQHXGS-CQSZACIVSA-N 0 0 378.353 1.495 20 5 GDBDRN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCS(=O)(=O)C2)c(C)c1[N+](=O)[O-] ZINC000598615601 531988871 /nfs/dbraw/zinc/98/88/71/531988871.db2.gz ZMJVIWDXTMUSSX-LBPRGKRZSA-N 0 0 376.456 1.315 20 5 GDBDRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000370516449 531990098 /nfs/dbraw/zinc/99/00/98/531990098.db2.gz CNEIEDFYRLWZCS-GFCCVEGCSA-N 0 0 392.865 1.520 20 5 GDBDRN CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299550372 532000469 /nfs/dbraw/zinc/00/04/69/532000469.db2.gz GAVRSQKIQVTFMK-UHFFFAOYSA-N 0 0 391.833 1.468 20 5 GDBDRN CCNS(=O)(=O)[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000271324881 532001330 /nfs/dbraw/zinc/00/13/30/532001330.db2.gz KWKFQQONTMEKQN-SECBINFHSA-N 0 0 379.236 1.270 20 5 GDBDRN Cn1cc(N2CC[C@H](Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2=O)cn1 ZINC000271409171 532012406 /nfs/dbraw/zinc/01/24/06/532012406.db2.gz PCBBTLGZGXDDLQ-VIFPVBQESA-N 0 0 385.427 1.011 20 5 GDBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000299640221 532014376 /nfs/dbraw/zinc/01/43/76/532014376.db2.gz ILILNFGGGYNVSH-CQSZACIVSA-N 0 0 381.479 1.994 20 5 GDBDRN O=C(NCCN1CCCS1(=O)=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599226148 532015136 /nfs/dbraw/zinc/01/51/36/532015136.db2.gz QTDUFLBQEGTCDE-UHFFFAOYSA-N 0 0 392.231 1.123 20 5 GDBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H](c3ccccc3Cl)C2)n1 ZINC000599230872 532016525 /nfs/dbraw/zinc/01/65/25/532016525.db2.gz XZWJULJCBLQAOH-ZDUSSCGKSA-N 0 0 386.817 1.744 20 5 GDBDRN CCCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000299664140 532017043 /nfs/dbraw/zinc/01/70/43/532017043.db2.gz LZLPNJJELPGYTF-ZDUSSCGKSA-N 0 0 387.483 1.835 20 5 GDBDRN CC(C)CNC(=O)[C@H]1CSCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299650741 532015731 /nfs/dbraw/zinc/01/57/31/532015731.db2.gz SFUWTVOROFUCHF-GFCCVEGCSA-N 0 0 391.446 1.570 20 5 GDBDRN CCO[C@@H](C)c1nc(CN(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cs1 ZINC000599247220 532019787 /nfs/dbraw/zinc/01/97/87/532019787.db2.gz CVDXIIFTUWHMGN-VIFPVBQESA-N 0 0 389.459 1.703 20 5 GDBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)n1 ZINC000599330820 532028638 /nfs/dbraw/zinc/02/86/38/532028638.db2.gz PFGMWGVKLCTZEP-CHWSQXEVSA-N 0 0 386.817 1.478 20 5 GDBDRN CN(CCN1CCOCC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285135894 532035805 /nfs/dbraw/zinc/03/58/05/532035805.db2.gz JTUHAORLUIDTHG-UHFFFAOYSA-N 0 0 381.813 1.340 20 5 GDBDRN Cn1ccnc1CN1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301568561 532037233 /nfs/dbraw/zinc/03/72/33/532037233.db2.gz WEPCPIFLIABMKW-UHFFFAOYSA-N 0 0 381.234 1.808 20 5 GDBDRN O=C(CN1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000301706431 532038305 /nfs/dbraw/zinc/03/83/05/532038305.db2.gz VSZYYKWXPFCNNA-UHFFFAOYSA-N 0 0 398.261 1.497 20 5 GDBDRN C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000301784938 532040453 /nfs/dbraw/zinc/04/04/53/532040453.db2.gz LCEABXAOGUAIGZ-RKDXNWHRSA-N 0 0 377.369 1.224 20 5 GDBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCSC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000271690527 532041084 /nfs/dbraw/zinc/04/10/84/532041084.db2.gz FCYHOHRMUXBBPI-LLVKDONJSA-N 0 0 379.847 1.148 20 5 GDBDRN NS(=O)(=O)C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000271693071 532041862 /nfs/dbraw/zinc/04/18/62/532041862.db2.gz IZNBIRWWTJKOOJ-SECBINFHSA-N 0 0 376.822 1.781 20 5 GDBDRN NC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420714559 532044978 /nfs/dbraw/zinc/04/49/78/532044978.db2.gz FMVGMCGALAFCQS-MNOVXSKESA-N 0 0 392.231 1.290 20 5 GDBDRN CCCN1C[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O ZINC000420711591 532045355 /nfs/dbraw/zinc/04/53/55/532045355.db2.gz YNYMENPRKMTGCY-SNVBAGLBSA-N 0 0 375.834 1.785 20 5 GDBDRN O=C(CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1)Nc1nncs1 ZINC000302029936 532043747 /nfs/dbraw/zinc/04/37/47/532043747.db2.gz MTBAUZKGOSTNFK-UHFFFAOYSA-N 0 0 383.821 1.255 20 5 GDBDRN COCCN1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462450310 532048632 /nfs/dbraw/zinc/04/86/32/532048632.db2.gz XYAZKEHQDUYOBQ-UHFFFAOYSA-N 0 0 398.268 1.854 20 5 GDBDRN O=C(NCCN1CCCS1(=O)=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466574937 532059044 /nfs/dbraw/zinc/05/90/44/532059044.db2.gz IAWZFADTKQRMME-UHFFFAOYSA-N 0 0 376.822 1.083 20 5 GDBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@](C)(O)C(F)(F)F ZINC000271919512 532065179 /nfs/dbraw/zinc/06/51/79/532065179.db2.gz DBDGGTGBFROJLY-NSHDSACASA-N 0 0 387.336 1.502 20 5 GDBDRN Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c([N+](=O)[O-])s1 ZINC000601406254 532063895 /nfs/dbraw/zinc/06/38/95/532063895.db2.gz JILABMMIUJWKPB-PXWWUCIGSA-N 0 0 376.456 1.922 20 5 GDBDRN C[C@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000285323080 532067346 /nfs/dbraw/zinc/06/73/46/532067346.db2.gz NHCQYFOYGFMURA-WCQYABFASA-N 0 0 389.861 1.732 20 5 GDBDRN NC(=O)c1ccnc(NCCS(=O)(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000579774947 532068499 /nfs/dbraw/zinc/06/84/99/532068499.db2.gz JWWVMEBGYOTGEU-UHFFFAOYSA-N 0 0 384.801 1.628 20 5 GDBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC000285335292 532069980 /nfs/dbraw/zinc/06/99/80/532069980.db2.gz KDHWIBYIXFXHSZ-UHFFFAOYSA-N 0 0 376.456 1.539 20 5 GDBDRN CCOC(=O)C(C)(C)C(=O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000322263206 532070088 /nfs/dbraw/zinc/07/00/88/532070088.db2.gz HUOFKZBCLVTCNP-UHFFFAOYSA-N 0 0 389.202 1.986 20 5 GDBDRN CS(=O)(=O)c1ccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1 ZINC000469963061 532080527 /nfs/dbraw/zinc/08/05/27/532080527.db2.gz MZRAQCDWAVMOPM-UHFFFAOYSA-N 0 0 384.391 1.719 20 5 GDBDRN CCC[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(N)=O ZINC000285454287 532085867 /nfs/dbraw/zinc/08/58/67/532085867.db2.gz SVRSARMNPMOPRJ-QMMMGPOBSA-N 0 0 380.220 1.290 20 5 GDBDRN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272326625 532091801 /nfs/dbraw/zinc/09/18/01/532091801.db2.gz REQBRAQZFFBZJN-CYBMUJFWSA-N 0 0 391.877 1.871 20 5 GDBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000373661799 532090993 /nfs/dbraw/zinc/09/09/93/532090993.db2.gz WZYRGOZWGUWMBR-GFCCVEGCSA-N 0 0 394.185 1.394 20 5 GDBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000373687402 532092515 /nfs/dbraw/zinc/09/25/15/532092515.db2.gz WGKTUKUFICCGES-YGRLFVJLSA-N 0 0 376.818 1.817 20 5 GDBDRN COCCN1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1=O ZINC000272404160 532096465 /nfs/dbraw/zinc/09/64/65/532096465.db2.gz BEPRUWOUPHHQPI-UHFFFAOYSA-N 0 0 391.833 1.036 20 5 GDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(c2scnc2Br)CC1 ZINC000373818338 532099056 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GDBDRN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000506696809 648224682 /nfs/dbraw/zinc/22/46/82/648224682.db2.gz PBSWWWVXMWYVEU-GXSJLCMTSA-N 0 0 375.834 1.696 20 5 GDBDRN Cc1c(Br)cc(C(=O)NCc2cc(C(N)=O)no2)cc1[N+](=O)[O-] ZINC000511768915 648386793 /nfs/dbraw/zinc/38/67/93/648386793.db2.gz HVAPCVGIWWOCCO-UHFFFAOYSA-N 0 0 383.158 1.683 20 5 GDBDRN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)CC3CC(F)(F)C3)CC2)cn1 ZINC000515037112 648476860 /nfs/dbraw/zinc/47/68/60/648476860.db2.gz YMXPPLVRYVTGRQ-UHFFFAOYSA-N 0 0 376.385 1.487 20 5 GDBDRN NS(=O)(=O)c1ccccc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000515688756 648505103 /nfs/dbraw/zinc/50/51/03/648505103.db2.gz YUNUQPHWTXOODC-UHFFFAOYSA-N 0 0 381.435 1.651 20 5 GDBDRN Cn1cc(S(=O)(=O)NCCc2ccccc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000516854664 648538677 /nfs/dbraw/zinc/53/86/77/648538677.db2.gz AYIAXKGVYMPDSN-UHFFFAOYSA-N 0 0 378.332 1.868 20 5 GDBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCn1cc(Br)cn1 ZINC000516961504 648547118 /nfs/dbraw/zinc/54/71/18/648547118.db2.gz JKBCRWJFDFFNID-UHFFFAOYSA-N 0 0 396.201 1.100 20 5 GDBDRN Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C)cc1[N+](=O)[O-] ZINC000517334491 648564697 /nfs/dbraw/zinc/56/46/97/648564697.db2.gz UPXCKPAQKUFRQJ-QWHCGFSZSA-N 0 0 390.483 1.846 20 5 GDBDRN C[S@](=O)CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000517638051 648572197 /nfs/dbraw/zinc/57/21/97/648572197.db2.gz BSHLWOUCKXMIDV-QHCPKHFHSA-N 0 0 375.472 1.560 20 5 GDBDRN Cc1ccc(S(=O)(=O)NCc2n[nH]cc2Br)c([N+](=O)[O-])c1 ZINC000523411897 648682672 /nfs/dbraw/zinc/68/26/72/648682672.db2.gz PDBXBMFQCLZHBV-UHFFFAOYSA-N 0 0 375.204 1.867 20 5 GDBDRN Cc1cc(C)c(S(=O)(=O)NCC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000572910938 651462582 /nfs/dbraw/zinc/46/25/82/651462582.db2.gz GMVSWDKQXBODDQ-UHFFFAOYSA-N 0 0 376.456 1.315 20 5 GDBDRN C[N@@H+]1CC[C@](O)(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000572928660 651462950 /nfs/dbraw/zinc/46/29/50/651462950.db2.gz DGHJZQXSNIDMBR-LBPRGKRZSA-N 0 0 384.241 1.247 20 5 GDBDRN CS(=O)(=O)c1ccc(NC[C@@H]2CCCCN2S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000573589917 651485589 /nfs/dbraw/zinc/48/55/89/651485589.db2.gz RTUUPPLSZUHXIB-NSHDSACASA-N 0 0 391.471 1.224 20 5 GDBDRN COC(=O)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000574761938 651566793 /nfs/dbraw/zinc/56/67/93/651566793.db2.gz PPNANLVTPYFKOW-UHFFFAOYSA-N 0 0 382.316 1.988 20 5 GDBDRN CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000577366291 651726277 /nfs/dbraw/zinc/72/62/77/651726277.db2.gz XDOIWUHMTFTCBS-CYBMUJFWSA-N 0 0 388.467 1.881 20 5 GDBDRN Cn1cc(Br)c(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000577459400 651730311 /nfs/dbraw/zinc/73/03/11/651730311.db2.gz HFTCHEIKIDSTIK-UHFFFAOYSA-N 0 0 381.234 1.808 20 5 GDBDRN CC(C)NS(=O)(=O)NCCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000577617785 651742243 /nfs/dbraw/zinc/74/22/43/651742243.db2.gz NHHMZLSHHJHEPO-LBPRGKRZSA-N 0 0 384.380 1.620 20 5 GDBDRN CN1C(=O)NCC12CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000578233201 651783266 /nfs/dbraw/zinc/78/32/66/651783266.db2.gz OSBWUFOJJVXCFO-UHFFFAOYSA-N 0 0 388.833 1.427 20 5 GDBDRN CS(=O)(=O)N1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000578241440 651783643 /nfs/dbraw/zinc/78/36/43/651783643.db2.gz GPWBMLYHIBYDFY-LBPRGKRZSA-N 0 0 382.467 1.842 20 5 GDBDRN CS(=O)(=O)c1ccc(NCCNc2nnc(C(F)F)s2)c([N+](=O)[O-])c1 ZINC000579880740 651883057 /nfs/dbraw/zinc/88/30/57/651883057.db2.gz HRQUOGJXYBLXHG-UHFFFAOYSA-N 0 0 393.397 2.311 20 5 GDBDRN NS(=O)(=O)c1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)co1 ZINC000583455874 652039739 /nfs/dbraw/zinc/03/97/39/652039739.db2.gz ZWZGKDGIXLUMTL-UHFFFAOYSA-N 0 0 390.171 1.850 20 5 GDBDRN O=C(NC[C@@H]1CC[C@@H](O)C1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585760604 652086826 /nfs/dbraw/zinc/08/68/26/652086826.db2.gz VKHJFHOPIRGUMH-PRHODGIISA-N 0 0 386.202 1.573 20 5 GDBDRN O=C(Nc1cnn(CCO)c1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585759154 652086861 /nfs/dbraw/zinc/08/68/61/652086861.db2.gz LFBSHPROLBKFHN-UHFFFAOYSA-N 0 0 398.173 1.123 20 5 GDBDRN C[C@@H]1CN(CC(F)(F)F)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593604205 652221664 /nfs/dbraw/zinc/22/16/64/652221664.db2.gz IRMWJLRHKXFJNS-SNVBAGLBSA-N 0 0 382.364 1.495 20 5 GDBDRN CCN1C[C@@H](CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1=O ZINC000593639905 652229935 /nfs/dbraw/zinc/22/99/35/652229935.db2.gz AAKKSGBJQKXSOX-SNVBAGLBSA-N 0 0 375.834 1.703 20 5 GDBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H](CO)CCF ZINC000593707731 652239407 /nfs/dbraw/zinc/23/94/07/652239407.db2.gz KVQBXLDMUBXGGT-MRVPVSSYSA-N 0 0 378.154 1.133 20 5 GDBDRN O=C(N[C@@H](CO)CCF)c1cc(I)cc([N+](=O)[O-])c1 ZINC000593859561 652254869 /nfs/dbraw/zinc/25/48/69/652254869.db2.gz HBMYLEAEUOWXOY-SECBINFHSA-N 0 0 382.129 1.650 20 5 GDBDRN CCn1cc(S(=O)(=O)N[C@@H](CC(=O)OC(C)C)C(C)C)c([N+](=O)[O-])n1 ZINC000594490568 652308565 /nfs/dbraw/zinc/30/85/65/652308565.db2.gz VMMPZZQKKXVYKC-NSHDSACASA-N 0 0 376.435 1.456 20 5 GDBDRN CCN(CC)S(=O)(=O)c1ccc(NC[C@@](C)(CO)OC)c([N+](=O)[O-])c1 ZINC000594590198 652320456 /nfs/dbraw/zinc/32/04/56/652320456.db2.gz WIWJPQQVHXNOCO-HNNXBMFYSA-N 0 0 375.447 1.435 20 5 GDBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1nnn(CC(F)(F)F)n1 ZINC000594684747 652347088 /nfs/dbraw/zinc/34/70/88/652347088.db2.gz CJKOFFIXTGEVRD-QMMMGPOBSA-N 0 0 379.320 1.820 20 5 GDBDRN CCN([C@@H](C)C(=O)OC(C)(C)C)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000594792676 652364963 /nfs/dbraw/zinc/36/49/63/652364963.db2.gz QOBASECHNZBRBL-JTQLQIEISA-N 0 0 376.435 1.552 20 5 GDBDRN COC[C@@]1(C(=O)OC)CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594813271 652371405 /nfs/dbraw/zinc/37/14/05/652371405.db2.gz PRDINQMQKUAWOV-CQSZACIVSA-N 0 0 392.817 1.591 20 5 GDBDRN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1[N+](=O)[O-] ZINC000594849012 652378421 /nfs/dbraw/zinc/37/84/21/652378421.db2.gz IMLOQFSGJXFWCD-NEPJUHHUSA-N 0 0 376.456 1.456 20 5 GDBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1 ZINC000594849601 652379342 /nfs/dbraw/zinc/37/93/42/652379342.db2.gz PRZMOMHNPAMVJJ-ZYHUDNBSSA-N 0 0 376.456 1.456 20 5 GDBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594850681 652379871 /nfs/dbraw/zinc/37/98/71/652379871.db2.gz XLEOETUHZATNGM-NEPJUHHUSA-N 0 0 376.456 1.456 20 5 GDBDRN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1=O ZINC000594866296 652382064 /nfs/dbraw/zinc/38/20/64/652382064.db2.gz VDKHHFHBEBJSOS-UHFFFAOYSA-N 0 0 381.332 1.466 20 5 GDBDRN COC(=O)[C@@](C)(CCF)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000594866393 652382430 /nfs/dbraw/zinc/38/24/30/652382430.db2.gz NXNPOQVVXTZWDY-CYBMUJFWSA-N 0 0 382.341 1.312 20 5 GDBDRN C[C@H](O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595178301 652396735 /nfs/dbraw/zinc/39/67/35/652396735.db2.gz QHKZVZNDKAJXCR-QPUJVOFHSA-N 0 0 386.202 1.668 20 5 GDBDRN Cc1noc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)c1[N+](=O)[O-] ZINC000595286740 652401668 /nfs/dbraw/zinc/40/16/68/652401668.db2.gz GUTZZSJBYACFNX-UHFFFAOYSA-N 0 0 386.455 1.896 20 5 GDBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(CO)(CO)C1 ZINC000595343360 652409675 /nfs/dbraw/zinc/40/96/75/652409675.db2.gz HCBFMGHUWKYJIC-UHFFFAOYSA-N 0 0 385.225 1.267 20 5 GDBDRN CCS(=O)(=O)C1(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000595363555 652412305 /nfs/dbraw/zinc/41/23/05/652412305.db2.gz GBBPAVMZYQVSLJ-UHFFFAOYSA-N 0 0 396.874 1.802 20 5 GDBDRN CN(C)C(=O)N(C)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595362573 652412334 /nfs/dbraw/zinc/41/23/34/652412334.db2.gz LIQGGEQDGTZGHC-LLVKDONJSA-N 0 0 390.849 1.625 20 5 GDBDRN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@]1(C)CO ZINC000595376168 652414792 /nfs/dbraw/zinc/41/47/92/652414792.db2.gz DDFFUIWCIWNGSA-ZANVPECISA-N 0 0 393.259 1.996 20 5 GDBDRN COc1cc(N2CCCN(S(=O)(=O)N(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596236736 652437710 /nfs/dbraw/zinc/43/77/10/652437710.db2.gz 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GDBDRN O=C(COc1ccc(F)cc1Br)NCCn1cc([N+](=O)[O-])cn1 ZINC000491172161 531550818 /nfs/dbraw/zinc/55/08/18/531550818.db2.gz PMLMOKREORRAMQ-UHFFFAOYSA-N 0 0 387.165 1.888 20 5 GDBDRN CN(C)C(=O)O[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000295173732 531533131 /nfs/dbraw/zinc/53/31/31/531533131.db2.gz AVYHIAOOPZGBOX-SNVBAGLBSA-N 0 0 375.378 1.585 20 5 GDBDRN Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280966661 531562340 /nfs/dbraw/zinc/56/23/40/531562340.db2.gz LIYNVTAEKPUKQZ-QWRGUYRKSA-N 0 0 378.834 1.480 20 5 GDBDRN CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000492194902 531562988 /nfs/dbraw/zinc/56/29/88/531562988.db2.gz TVJSGGRCOYIFTK-QWRGUYRKSA-N 0 0 379.232 1.795 20 5 GDBDRN CC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000553551206 531567201 /nfs/dbraw/zinc/56/72/01/531567201.db2.gz LTCWIKBVGIIJLF-RYUDHWBXSA-N 0 0 376.456 1.489 20 5 GDBDRN CCNC(=O)N1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000268683307 531554639 /nfs/dbraw/zinc/55/46/39/531554639.db2.gz XTQOWDIGQYHSJC-SNVBAGLBSA-N 0 0 385.218 1.891 20 5 GDBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000416356083 531578549 /nfs/dbraw/zinc/57/85/49/531578549.db2.gz APULMXCAHRGPPY-MRVPVSSYSA-N 0 0 388.345 1.079 20 5 GDBDRN COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000416370689 531583279 /nfs/dbraw/zinc/58/32/79/531583279.db2.gz LGQKUWJUKSXLHA-UHFFFAOYSA-N 0 0 394.471 1.236 20 5 GDBDRN COCCOCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416373167 531585692 /nfs/dbraw/zinc/58/56/92/531585692.db2.gz LWDVRQZGLSXKFI-UHFFFAOYSA-N 0 0 386.348 1.945 20 5 GDBDRN NS(=O)(=O)C1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000364832707 531601705 /nfs/dbraw/zinc/60/17/05/531601705.db2.gz ZMYUYYPMIILMIO-UHFFFAOYSA-N 0 0 379.797 1.209 20 5 GDBDRN O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000269124126 531612392 /nfs/dbraw/zinc/61/23/92/531612392.db2.gz IPQFPUUSTLRXSW-UHFFFAOYSA-N 0 0 388.789 1.194 20 5 GDBDRN COc1ccc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000269151635 531615708 /nfs/dbraw/zinc/61/57/08/531615708.db2.gz SJYNEYLLJFCAJN-IAQYHMDHSA-N 0 0 388.467 1.936 20 5 GDBDRN CS(=O)(=O)CCCS(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000559931387 531615824 /nfs/dbraw/zinc/61/58/24/531615824.db2.gz AYLYIJQIMPEHEN-UHFFFAOYSA-N 0 0 388.423 1.599 20 5 GDBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000269149785 531615849 /nfs/dbraw/zinc/61/58/49/531615849.db2.gz ROKHOEZEFGYNBB-ABAIWWIYSA-N 0 0 388.467 1.936 20 5 GDBDRN CCC1(CC)CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000494586715 531613010 /nfs/dbraw/zinc/61/30/10/531613010.db2.gz NLQHFYWWLXROFE-UHFFFAOYSA-N 0 0 390.483 1.714 20 5 GDBDRN C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416434293 531614113 /nfs/dbraw/zinc/61/41/13/531614113.db2.gz SYBVAJYSKHBACQ-WCBMZHEXSA-N 0 0 384.332 1.384 20 5 GDBDRN Cc1nn(C)cc1CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000416457514 531623274 /nfs/dbraw/zinc/62/32/74/531623274.db2.gz OICPUGXPLVAXHP-UHFFFAOYSA-N 0 0 389.231 1.878 20 5 GDBDRN NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416457594 531623293 /nfs/dbraw/zinc/62/32/93/531623293.db2.gz XVNUZUAUWLIQQT-VIFPVBQESA-N 0 0 399.372 1.205 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ncncc3Cl)CC2)cc1 ZINC000615691080 531625563 /nfs/dbraw/zinc/62/55/63/531625563.db2.gz RNAYIQPBHADHFZ-UHFFFAOYSA-N 0 0 383.817 1.549 20 5 GDBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000269256799 531630410 /nfs/dbraw/zinc/63/04/10/531630410.db2.gz ALSFMQYULIOIAL-UHFFFAOYSA-N 0 0 396.874 1.660 20 5 GDBDRN COC(=O)C[C@@H]1CSCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416462795 531627294 /nfs/dbraw/zinc/62/72/94/531627294.db2.gz SNCLGNRNWFPVFN-GFCCVEGCSA-N 0 0 388.467 1.881 20 5 GDBDRN CSCCCN(C)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000281550976 531630872 /nfs/dbraw/zinc/63/08/72/531630872.db2.gz OAXRVFRTHGFPDJ-UHFFFAOYSA-N 0 0 389.455 1.925 20 5 GDBDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000365422423 531647952 /nfs/dbraw/zinc/64/79/52/531647952.db2.gz SGZJWFXZBZFWEN-JTQLQIEISA-N 0 0 376.822 1.794 20 5 GDBDRN CCOC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585701463 531635121 /nfs/dbraw/zinc/63/51/21/531635121.db2.gz ITMVFABEUXLQNO-LLVKDONJSA-N 0 0 375.175 1.320 20 5 GDBDRN C[C@H]1CC(=O)NCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589258158 531669007 /nfs/dbraw/zinc/66/90/07/531669007.db2.gz HKBFXSUEFJCWPA-VIFPVBQESA-N 0 0 389.193 1.910 20 5 GDBDRN O=[N+]([O-])c1cc(I)cc(CN2CCOC[C@H]2CO)c1 ZINC000589262142 531670312 /nfs/dbraw/zinc/67/03/12/531670312.db2.gz QVEITJXDPKMYEJ-GFCCVEGCSA-N 0 0 378.166 1.393 20 5 GDBDRN COC(=O)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000281721861 531652140 /nfs/dbraw/zinc/65/21/40/531652140.db2.gz HALRHSKHFTWCDG-SSDOTTSWSA-N 0 0 381.204 1.506 20 5 GDBDRN CCCCNC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000500630356 531664439 /nfs/dbraw/zinc/66/44/39/531664439.db2.gz HNSLOLYQZGGSGR-VIFPVBQESA-N 0 0 379.485 1.636 20 5 GDBDRN COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269450974 531672582 /nfs/dbraw/zinc/67/25/82/531672582.db2.gz CTRQUOZADCUACU-SNVBAGLBSA-N 0 0 382.316 1.940 20 5 GDBDRN CNC(=O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000281889090 531674264 /nfs/dbraw/zinc/67/42/64/531674264.db2.gz XZOCGPJGXWTDAS-UHFFFAOYSA-N 0 0 380.220 1.032 20 5 GDBDRN CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269462978 531674474 /nfs/dbraw/zinc/67/44/74/531674474.db2.gz HWAQGHYSTNNXIM-SNVBAGLBSA-N 0 0 392.231 1.209 20 5 GDBDRN Cc1ccc(S(=O)(=O)N2CC(=O)N(CCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451770921 531681247 /nfs/dbraw/zinc/68/12/47/531681247.db2.gz GDDSLTVXZMYILD-UHFFFAOYSA-N 0 0 381.332 1.646 20 5 GDBDRN COC(=O)CS(=O)(=O)Cc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000281962513 531684652 /nfs/dbraw/zinc/68/46/52/531684652.db2.gz QWVKGFDCRNMBKV-UHFFFAOYSA-N 0 0 385.423 1.751 20 5 GDBDRN CCc1ncsc1NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000269522199 531686296 /nfs/dbraw/zinc/68/62/96/531686296.db2.gz MLEDSEGATYAYGN-UHFFFAOYSA-N 0 0 384.439 1.873 20 5 GDBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[C@@H](C)CCO)c(C)c1[N+](=O)[O-] ZINC000296367196 531688365 /nfs/dbraw/zinc/68/83/65/531688365.db2.gz XFVJDFJSZBXANC-SECBINFHSA-N 0 0 375.403 1.807 20 5 GDBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(C(N)=O)C1 ZINC000590546717 531690615 /nfs/dbraw/zinc/69/06/15/531690615.db2.gz RGTPQCZGUAUPIH-SECBINFHSA-N 0 0 385.218 1.796 20 5 GDBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCN(CC(F)(F)F)C(=O)C1 ZINC000561316758 531690695 /nfs/dbraw/zinc/69/06/95/531690695.db2.gz FUASGKNNDNSBHY-UHFFFAOYSA-N 0 0 377.344 1.920 20 5 GDBDRN CN(C1CCN(c2cnccn2)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000366132241 531710480 /nfs/dbraw/zinc/71/04/80/531710480.db2.gz ANLSBTMJOJPLRD-UHFFFAOYSA-N 0 0 383.455 1.736 20 5 GDBDRN C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC(=O)N1C ZINC000282069329 531700940 /nfs/dbraw/zinc/70/09/40/531700940.db2.gz QMZGGTNPTRMVSG-MRVPVSSYSA-N 0 0 392.231 1.209 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000366026933 531702131 /nfs/dbraw/zinc/70/21/31/531702131.db2.gz DRDKYOABIRVZPM-STQMWFEESA-N 0 0 376.818 1.817 20 5 GDBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCC1(CO)CCOCC1 ZINC000269649911 531703727 /nfs/dbraw/zinc/70/37/27/531703727.db2.gz DEIZQVMSIJYERV-UHFFFAOYSA-N 0 0 380.369 1.792 20 5 GDBDRN COC(=O)[C@H]1CSCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000416656866 531726815 /nfs/dbraw/zinc/72/68/15/531726815.db2.gz YGFOHSKKHILOJK-CYBMUJFWSA-N 0 0 388.467 1.305 20 5 GDBDRN C[C@H](O)[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000416661570 531728438 /nfs/dbraw/zinc/72/84/38/531728438.db2.gz QSZUHBDZVZSZKJ-GZMMTYOYSA-N 0 0 395.231 1.128 20 5 GDBDRN CSC[C@@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269737421 531731271 /nfs/dbraw/zinc/73/12/71/531731271.db2.gz DJGBTNOPEFMRHV-NSHDSACASA-N 0 0 399.288 1.750 20 5 GDBDRN Cc1c(Br)c(NC2CC(NS(C)(=O)=O)C2)ncc1[N+](=O)[O-] ZINC000619746037 531716703 /nfs/dbraw/zinc/71/67/03/531716703.db2.gz KKPAWRPGEZZTJI-UHFFFAOYSA-N 0 0 379.236 1.553 20 5 GDBDRN COc1cc(S(=O)(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000451980312 531735277 /nfs/dbraw/zinc/73/52/77/531735277.db2.gz DDPLHLDTSHQPGJ-UFBFGSQYSA-N 0 0 384.332 1.537 20 5 GDBDRN Cc1c(Br)cc(C(=O)N[C@@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282332391 531739436 /nfs/dbraw/zinc/73/94/36/531739436.db2.gz OBUGEALMGMMYTN-QMMMGPOBSA-N 0 0 376.182 1.870 20 5 GDBDRN COc1c(F)cc(S(=O)(=O)N(CCO)[C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000452004273 531743071 /nfs/dbraw/zinc/74/30/71/531743071.db2.gz HMZKILKPOQXZDJ-QWRGUYRKSA-N 0 0 376.406 1.914 20 5 GDBDRN O=[N+]([O-])c1cnc(N2CCO[C@]3(CCS(=O)(=O)C3)C2)c(C(F)(F)F)c1 ZINC000591972987 531746720 /nfs/dbraw/zinc/74/67/20/531746720.db2.gz GCKJQGGPUCIHCE-GFCCVEGCSA-N 0 0 381.332 1.403 20 5 GDBDRN O=C(Cn1cccc([N+](=O)[O-])c1=O)Nc1ccccc1I ZINC000507940979 531754009 /nfs/dbraw/zinc/75/40/09/531754009.db2.gz WNAAMINFMLMWBE-UHFFFAOYSA-N 0 0 399.144 2.000 20 5 GDBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1 ZINC000452029982 531755911 /nfs/dbraw/zinc/75/59/11/531755911.db2.gz GCXAIOGMVOXLBB-OCCSQVGLSA-N 0 0 388.467 1.552 20 5 GDBDRN CC(C)(CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000592085612 531756986 /nfs/dbraw/zinc/75/69/86/531756986.db2.gz GTNYADCDFYSUBM-CQSZACIVSA-N 0 0 378.834 1.704 20 5 GDBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@H](O)C2CCC2)c1 ZINC000452044190 531759161 /nfs/dbraw/zinc/75/91/61/531759161.db2.gz ILIYGBOQBCRQDE-LBPRGKRZSA-N 0 0 379.232 1.797 20 5 GDBDRN CC(F)(F)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000297238875 531770833 /nfs/dbraw/zinc/77/08/33/531770833.db2.gz QXHNUOALEMPNBD-UHFFFAOYSA-N 0 0 380.373 1.218 20 5 GDBDRN COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000366737284 531773282 /nfs/dbraw/zinc/77/32/82/531773282.db2.gz GKGLROILRYYHQS-NXEZZACHSA-N 0 0 376.818 1.986 20 5 GDBDRN CC[C@H](C)N(CC(=O)OC)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000282726570 531788372 /nfs/dbraw/zinc/78/83/72/531788372.db2.gz USQHXIQREXTMTR-VIFPVBQESA-N 0 0 378.378 1.705 20 5 GDBDRN CNC(=O)NC1CN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000297417496 531790637 /nfs/dbraw/zinc/79/06/37/531790637.db2.gz NCRGWZGCZRGQDU-UHFFFAOYSA-N 0 0 390.181 1.313 20 5 GDBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCS(C)(=O)=O)C2CC2)c1C ZINC000269876550 531792349 /nfs/dbraw/zinc/79/23/49/531792349.db2.gz PQYXHKWTRDNXRT-UHFFFAOYSA-N 0 0 376.456 1.409 20 5 GDBDRN Cc1c(Br)cc(C(=O)NCCNc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000563199210 531818040 /nfs/dbraw/zinc/81/80/40/531818040.db2.gz HSTPXYZFRYQORU-UHFFFAOYSA-N 0 0 382.218 2.241 20 5 GDBDRN CCS(=O)(=O)NCCCSc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000269939374 531808706 /nfs/dbraw/zinc/80/87/06/531808706.db2.gz DBMNXXIBYDRSPH-UHFFFAOYSA-N 0 0 382.485 1.420 20 5 GDBDRN Cc1c(Br)cc(C(=O)NCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000269986874 531817587 /nfs/dbraw/zinc/81/75/87/531817587.db2.gz RMKRYQLARSGTPV-UHFFFAOYSA-N 0 0 379.232 1.830 20 5 GDBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000367364347 531832473 /nfs/dbraw/zinc/83/24/73/531832473.db2.gz CKGCTUWHONWBLL-GFCCVEGCSA-N 0 0 375.834 1.343 20 5 GDBDRN C[C@@H]1COCCN1CCNc1c(I)cncc1[N+](=O)[O-] ZINC000418850533 531854380 /nfs/dbraw/zinc/85/43/80/531854380.db2.gz CQFMFPPIRBZHCQ-SECBINFHSA-N 0 0 392.197 1.149 20 5 GDBDRN O=[N+]([O-])c1cncc(I)c1NCCSCCCO ZINC000418852459 531854865 /nfs/dbraw/zinc/85/48/65/531854865.db2.gz HSOBNDVXQXGKKY-UHFFFAOYSA-N 0 0 383.211 1.544 20 5 GDBDRN NC(=O)N1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000283472831 531865938 /nfs/dbraw/zinc/86/59/38/531865938.db2.gz GUPFNLSGSNAYQE-UHFFFAOYSA-N 0 0 380.785 1.162 20 5 GDBDRN O=[N+]([O-])c1cncc(I)c1NC[C@H](CO)[C@@H]1CCOC1 ZINC000418941191 531867921 /nfs/dbraw/zinc/86/79/21/531867921.db2.gz 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COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000373801925 532099170 /nfs/dbraw/zinc/09/91/70/532099170.db2.gz XPOPHZDZJFBZRG-NSHDSACASA-N 0 0 391.471 1.169 20 5 GDBDRN CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000272424224 532097561 /nfs/dbraw/zinc/09/75/61/532097561.db2.gz FKEAMPJGMIOOTG-LBPRGKRZSA-N 0 0 378.472 1.222 20 5 GDBDRN COc1ccc(S(=O)(=O)NCC2(S(C)(=O)=O)CCCC2)c([N+](=O)[O-])c1 ZINC000285606497 532098144 /nfs/dbraw/zinc/09/81/44/532098144.db2.gz MKJIHACKUMFCSF-UHFFFAOYSA-N 0 0 392.455 1.239 20 5 GDBDRN CNC(=O)[C@]1(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000285677148 532103972 /nfs/dbraw/zinc/10/39/72/532103972.db2.gz QICHWYVRIZMKIO-CYBMUJFWSA-N 0 0 379.797 1.534 20 5 GDBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCCS1(=O)=O ZINC000608778413 532104598 /nfs/dbraw/zinc/10/45/98/532104598.db2.gz AKASYCRCNYDLIA-GFCCVEGCSA-N 0 0 387.483 1.617 20 5 GDBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C)c1 ZINC000272566479 532104717 /nfs/dbraw/zinc/10/47/17/532104717.db2.gz WCIQVMZMZAFLNM-SECBINFHSA-N 0 0 382.847 1.364 20 5 GDBDRN Cn1nnnc1N1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000373969641 532105089 /nfs/dbraw/zinc/10/50/89/532105089.db2.gz GNJOVBFIAHTJPX-UHFFFAOYSA-N 0 0 382.222 1.962 20 5 GDBDRN CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000272561837 532105461 /nfs/dbraw/zinc/10/54/61/532105461.db2.gz VRQMQNQKSCIHRS-CYBMUJFWSA-N 0 0 392.499 1.612 20 5 GDBDRN CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000272585382 532105700 /nfs/dbraw/zinc/10/57/00/532105700.db2.gz ZCLSBNBQMNOMHZ-AWEZNQCLSA-N 0 0 387.483 1.320 20 5 GDBDRN COC(=O)[C@]1(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000285916955 532120673 /nfs/dbraw/zinc/12/06/73/532120673.db2.gz HSAJJSFSUIKMLM-CYBMUJFWSA-N 0 0 380.781 1.961 20 5 GDBDRN Cc1ccc(S(=O)(=O)N2CCN(Cc3cscn3)CC2)c([N+](=O)[O-])c1 ZINC000330403470 532121520 /nfs/dbraw/zinc/12/15/20/532121520.db2.gz CIMBJVSIUAUSTC-UHFFFAOYSA-N 0 0 382.467 1.866 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(O)(C(F)F)C2)c(C(F)(F)F)c1 ZINC000425200529 532127292 /nfs/dbraw/zinc/12/72/92/532127292.db2.gz LIJRCZQDQGFHOB-UHFFFAOYSA-N 0 0 376.259 1.614 20 5 GDBDRN Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1Sc1c(F)cccc1[N+](=O)[O-] ZINC000286017654 532127502 /nfs/dbraw/zinc/12/75/02/532127502.db2.gz FPSSQCDHXSGNAT-VIFPVBQESA-N 0 0 386.430 1.991 20 5 GDBDRN O=[N+]([O-])c1cncc(I)c1N1CC[C@H](c2nnc[nH]2)C1 ZINC000425280191 532134114 /nfs/dbraw/zinc/13/41/14/532134114.db2.gz HJOPLIHIIZYXQV-ZETCQYMHSA-N 0 0 386.153 1.706 20 5 GDBDRN Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc1[N+](=O)[O-] ZINC000286162578 532134101 /nfs/dbraw/zinc/13/41/01/532134101.db2.gz HIMZJXUSBYEVRT-NEPJUHHUSA-N 0 0 397.229 1.904 20 5 GDBDRN C[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])[C@@H]1CO ZINC000286433856 532150405 /nfs/dbraw/zinc/15/04/05/532150405.db2.gz NDHLIVHEHGCTLJ-RDDDGLTNSA-N 0 0 397.222 1.888 20 5 GDBDRN CNS(=O)(=O)c1ccc(N[C@H](CO)C[C@@H](O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000286456888 532152098 /nfs/dbraw/zinc/15/20/98/532152098.db2.gz NLRRDEYYEDIHTL-IINYFYTJSA-N 0 0 375.447 1.073 20 5 GDBDRN C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000273495289 532153169 /nfs/dbraw/zinc/15/31/69/532153169.db2.gz HKDNQFHATOUUEK-ZDVLTJLQSA-N 0 0 385.261 1.403 20 5 GDBDRN CC(C)N1C(=S)N=NC1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273520050 532154160 /nfs/dbraw/zinc/15/41/60/532154160.db2.gz WPPLSKSWFONRGN-UHFFFAOYSA-N 0 0 386.459 1.358 20 5 GDBDRN CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1=O ZINC000273529140 532154501 /nfs/dbraw/zinc/15/45/01/532154501.db2.gz QEDCYUWTJIHUAT-UHFFFAOYSA-N 0 0 392.231 1.210 20 5 GDBDRN C[C@@]1(C[C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)NC(=O)NC1=O ZINC000286299444 532141676 /nfs/dbraw/zinc/14/16/76/532141676.db2.gz IEQSHQGOGVCDMB-CLAHSXSESA-N 0 0 398.217 1.709 20 5 GDBDRN C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286364319 532145113 /nfs/dbraw/zinc/14/51/13/532145113.db2.gz JQBVHCLOVUHDIH-WCBMZHEXSA-N 0 0 382.797 1.548 20 5 GDBDRN COC(=O)C[C@@H]1CSCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273425515 532149219 /nfs/dbraw/zinc/14/92/19/532149219.db2.gz ZOVVSQXWDOTPJO-CYBMUJFWSA-N 0 0 388.467 1.349 20 5 GDBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@](F)(CO)C2)ccc1Br ZINC000286534037 532157253 /nfs/dbraw/zinc/15/72/53/532157253.db2.gz BSPODLVAXSFGEB-LBPRGKRZSA-N 0 0 397.222 1.842 20 5 GDBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000286548875 532159371 /nfs/dbraw/zinc/15/93/71/532159371.db2.gz CPHCOPJPLPVPSI-SNVBAGLBSA-N 0 0 396.874 1.660 20 5 GDBDRN Cn1cc([N+](=O)[O-])c(C(=O)N(CCO)Cc2cc(Br)cs2)n1 ZINC000427539637 532185371 /nfs/dbraw/zinc/18/53/71/532185371.db2.gz IYWYSLXHYLDQNT-UHFFFAOYSA-N 0 0 389.231 1.787 20 5 GDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000375596562 532171892 /nfs/dbraw/zinc/17/18/92/532171892.db2.gz IKVGEZWJGIFCBL-JTQLQIEISA-N 0 0 385.149 1.943 20 5 GDBDRN Cc1cc(S(=O)(=O)N2CC[C@H](C)S(=O)(=O)CC2)c(C)cc1[N+](=O)[O-] ZINC000332225409 532172076 /nfs/dbraw/zinc/17/20/76/532172076.db2.gz LZBNEDKCKBLBMQ-LBPRGKRZSA-N 0 0 376.456 1.409 20 5 GDBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](C)S(=O)(=O)CC2)c1 ZINC000332234522 532173143 /nfs/dbraw/zinc/17/31/43/532173143.db2.gz QJJKOLBRICNPRD-LLVKDONJSA-N 0 0 376.456 1.409 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC[C@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000375654344 532175428 /nfs/dbraw/zinc/17/54/28/532175428.db2.gz UBVKONRPJOBCEN-QWHCGFSZSA-N 0 0 376.818 1.817 20 5 GDBDRN CN1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000332588776 532197975 /nfs/dbraw/zinc/19/79/75/532197975.db2.gz JMUJWZNDSXHESR-GJZGRUSLSA-N 0 0 398.257 1.831 20 5 GDBDRN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC2(CCC2(F)F)C1 ZINC000427724502 532187998 /nfs/dbraw/zinc/18/79/98/532187998.db2.gz YXINJGHDFLDPHK-UHFFFAOYSA-N 0 0 375.353 1.131 20 5 GDBDRN COC(=O)[C@@H](CF)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000287318998 532208123 /nfs/dbraw/zinc/20/81/23/532208123.db2.gz FLPGZTCGDHXJEM-SECBINFHSA-N 0 0 385.167 1.147 20 5 GDBDRN Nc1nc(NC[C@H](CO)Cc2cccc(Br)c2)ncc1[N+](=O)[O-] ZINC000428662197 532214233 /nfs/dbraw/zinc/21/42/33/532214233.db2.gz CXXJMQIRRPZYAP-SNVBAGLBSA-N 0 0 382.218 1.415 20 5 GDBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCOC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000274294152 532201671 /nfs/dbraw/zinc/20/16/71/532201671.db2.gz DHUPIYXOSBTYSL-GHMZBOCLSA-N 0 0 378.834 1.717 20 5 GDBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCCCS(C)(=O)=O)c1C ZINC000274776162 532232419 /nfs/dbraw/zinc/23/24/19/532232419.db2.gz XXRZHFJZGBGBGR-UHFFFAOYSA-N 0 0 378.472 1.705 20 5 GDBDRN Cc1c(NC(=O)C(=O)N2C[C@@H](C)[C@H](O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000430321948 532246890 /nfs/dbraw/zinc/24/68/90/532246890.db2.gz CNJXJNNXDVXATC-JMCQJSRRSA-N 0 0 386.202 1.443 20 5 GDBDRN Nc1nc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)ncc1[N+](=O)[O-] ZINC000274996956 532251383 /nfs/dbraw/zinc/25/13/83/532251383.db2.gz MUJGGKWQKGUHJN-UHFFFAOYSA-N 0 0 376.324 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ZINC000275028697 532254956 /nfs/dbraw/zinc/25/49/56/532254956.db2.gz BYOHTLADPVHUMU-UHFFFAOYSA-N 0 0 375.403 1.460 20 5 GDBDRN COC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000275044479 532257412 /nfs/dbraw/zinc/25/74/12/532257412.db2.gz GDHIELFGWUCQSJ-SECBINFHSA-N 0 0 375.428 1.899 20 5 GDBDRN O=C1OCCN1c1ccc(S(=O)(=O)NC2CCSCC2)cc1[N+](=O)[O-] ZINC000275053541 532259087 /nfs/dbraw/zinc/25/90/87/532259087.db2.gz HECRLECFCHMYNI-UHFFFAOYSA-N 0 0 387.439 1.725 20 5 GDBDRN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000334041148 532261378 /nfs/dbraw/zinc/26/13/78/532261378.db2.gz LHCIYCKUWODMOV-RYUDHWBXSA-N 0 0 375.834 1.838 20 5 GDBDRN O=C(NC[C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1Br ZINC000288305484 532280631 /nfs/dbraw/zinc/28/06/31/532280631.db2.gz UBRCHEJYTLZMQW-SECBINFHSA-N 0 0 391.243 1.912 20 5 GDBDRN COC(=O)Nc1ccc(S(=O)(=O)N(C)[C@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000275377086 532291668 /nfs/dbraw/zinc/29/16/68/532291668.db2.gz 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381.395 1.922 20 5 GDBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC1CN(S(C)(=O)=O)C1 ZINC000447817893 531436421 /nfs/dbraw/zinc/43/64/21/531436421.db2.gz SXZNGLMEKBFYPJ-UHFFFAOYSA-N 0 0 377.806 1.338 20 5 GDBDRN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000279501796 531437139 /nfs/dbraw/zinc/43/71/39/531437139.db2.gz NYJFLBMEIOLKNM-GFCCVEGCSA-N 0 0 387.845 1.888 20 5 GDBDRN CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000267606954 531439194 /nfs/dbraw/zinc/43/91/94/531439194.db2.gz GLXKYYOJZNYEON-NSHDSACASA-N 0 0 391.833 1.164 20 5 GDBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCCS(=O)(=O)CC1 ZINC000361177528 531446271 /nfs/dbraw/zinc/44/62/71/531446271.db2.gz AKKVNTFCSYRRBJ-UHFFFAOYSA-N 0 0 376.818 1.664 20 5 GDBDRN Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000267705761 531446305 /nfs/dbraw/zinc/44/63/05/531446305.db2.gz UNLPHSSGKCSVLH-SECBINFHSA-N 0 0 382.847 1.364 20 5 GDBDRN CCCCN(C(=O)CSc1ccc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 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Cn1cnnc1N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000847039118 655464795 /nfs/dbraw/zinc/46/47/95/655464795.db2.gz XYUCKARZULESDL-UHFFFAOYSA-N 0 0 381.234 1.808 20 5 GDBDRN O=C(O[C@@H]1COC[C@H]1n1ccnn1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000847988389 655479845 /nfs/dbraw/zinc/47/98/45/655479845.db2.gz DSYVCOVXAMLUFF-VXGBXAGGSA-N 0 0 383.158 1.746 20 5 GDBDRN C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848475079 655493631 /nfs/dbraw/zinc/49/36/31/655493631.db2.gz KQCZBVVFYLPCQO-UTUOFQBUSA-N 0 0 375.422 1.510 20 5 GDBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(Cl)cc1Cl ZINC000848485907 655493913 /nfs/dbraw/zinc/49/39/13/655493913.db2.gz AMGVHRCNBMIFQB-DTWKUNHWSA-N 0 0 396.252 1.341 20 5 GDBDRN CC[C@H](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)OC ZINC000826670596 655499827 /nfs/dbraw/zinc/49/98/27/655499827.db2.gz SHJNZBOQPIIBSX-RYUDHWBXSA-N 0 0 375.447 1.986 20 5 GDBDRN CCN(CCSC)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000826850781 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386.213 1.878 20 5 GDBDRN CN1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC1=O ZINC000849471800 655541865 /nfs/dbraw/zinc/54/18/65/655541865.db2.gz WNZDOWAYKFHAGY-UHFFFAOYSA-N 0 0 392.231 1.210 20 5 GDBDRN CC1(C)C[C@H](OC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CO1 ZINC000849660981 655544279 /nfs/dbraw/zinc/54/42/79/655544279.db2.gz ZUOJYEKUHPFCKX-VIFPVBQESA-N 0 0 392.817 1.637 20 5 GDBDRN CCOCCNC(=O)COc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000849953461 655548886 /nfs/dbraw/zinc/54/88/86/655548886.db2.gz IEJGUGBEFLISMP-UHFFFAOYSA-N 0 0 392.162 1.797 20 5 GDBDRN Cc1c(NC(=O)C(=O)NCC[S@@](=O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000850546150 655558164 /nfs/dbraw/zinc/55/81/64/655558164.db2.gz WTUWBKKCSAYSBT-RUZDIDTESA-N 0 0 381.332 1.269 20 5 GDBDRN C[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000850576553 655559133 /nfs/dbraw/zinc/55/91/33/655559133.db2.gz OISDFHQGVXSTEE-PDISFODASA-N 0 0 387.845 1.993 20 5 GDBDRN COCCN(CCF)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 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HLHHVZTWINWLLB-UHFFFAOYSA-N 0 0 392.788 1.983 20 5 GDBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1Nc1cnn(CCN2CCOCC2)c1 ZINC000738359466 598673862 /nfs/dbraw/zinc/67/38/62/598673862.db2.gz RRIMKKBAXFWWPC-UHFFFAOYSA-N 0 0 385.388 1.047 20 5 GDBDRN C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820438834 599324467 /nfs/dbraw/zinc/32/44/67/599324467.db2.gz XRCZVEQJBCVKLH-LLVKDONJSA-N 0 0 388.409 1.956 20 5 GDBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)cc(N2CCSCC2)cc1N1CCSCC1 ZINC000823615039 599482052 /nfs/dbraw/zinc/48/20/52/599482052.db2.gz YPOAOZZROMSLDD-UHFFFAOYSA-N 0 0 393.498 1.881 20 5 GDBDRN CCC(=O)N1CCCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820836583 599487007 /nfs/dbraw/zinc/48/70/07/599487007.db2.gz BTZIJZHWLXUVRR-UHFFFAOYSA-N 0 0 396.411 1.772 20 5 GDBDRN C[C@H](O)CNC(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c1 ZINC000820479781 599559936 /nfs/dbraw/zinc/55/99/36/599559936.db2.gz BZBHFPPEDHNOAU-VIFPVBQESA-N 0 0 385.340 1.073 20 5 GDBDRN 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C[C@H](O)[C@@H]1CN(c2c(I)cncc2[N+](=O)[O-])CCO1 ZINC000418970710 531873700 /nfs/dbraw/zinc/87/37/00/531873700.db2.gz LEWDVXZHLZEVOP-XVKPBYJWSA-N 0 0 379.154 1.180 20 5 GDBDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1O ZINC000270467075 531874952 /nfs/dbraw/zinc/87/49/52/531874952.db2.gz GUTPGARCDFNZMF-KCJUWKMLSA-N 0 0 379.232 1.749 20 5 GDBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000270586633 531897839 /nfs/dbraw/zinc/89/78/39/531897839.db2.gz BIFQOFVZYFWZTD-GFCCVEGCSA-N 0 0 388.467 1.592 20 5 GDBDRN Cc1sc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000298418801 531886611 /nfs/dbraw/zinc/88/66/11/531886611.db2.gz YPKOAUCETSPIIA-NWDGAFQWSA-N 0 0 388.467 1.773 20 5 GDBDRN NS(=O)(=O)c1ccc(N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000596210671 531913697 /nfs/dbraw/zinc/91/36/97/531913697.db2.gz LXBYOIYDPWYLCR-QPUJVOFHSA-N 0 0 383.348 1.382 20 5 GDBDRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000596499386 531922255 /nfs/dbraw/zinc/92/22/55/531922255.db2.gz ODRWDVAQADEEMX-GDPRMGEGSA-N 0 0 392.231 1.001 20 5 GDBDRN C[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H](CC(F)(F)F)O1 ZINC000596558560 531923594 /nfs/dbraw/zinc/92/35/94/531923594.db2.gz QRDXOLKNNUFZKD-IUCAKERBSA-N 0 0 383.348 1.788 20 5 GDBDRN Cc1ccc(S(=O)(=O)N2CCC[C@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000298801253 531923949 /nfs/dbraw/zinc/92/39/49/531923949.db2.gz GFVHZICTFFBUFA-LBPRGKRZSA-N 0 0 376.456 1.349 20 5 GDBDRN NS(=O)(=O)c1ccc(N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000596232400 531914733 /nfs/dbraw/zinc/91/47/33/531914733.db2.gz QPXZZLMAMGPYSP-SCZZXKLOSA-N 0 0 383.348 1.239 20 5 GDBDRN Cc1sc(NC(=O)CN(C)S(C)(=O)=O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000298868824 531932869 /nfs/dbraw/zinc/93/28/69/531932869.db2.gz QDYYTHXKEADIPP-UHFFFAOYSA-N 0 0 384.439 1.857 20 5 GDBDRN C[C@H]1CC[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CS1(=O)=O ZINC000597092800 531938434 /nfs/dbraw/zinc/93/84/34/531938434.db2.gz ROXICHPTXGHFQU-CBAPKCEASA-N 0 0 376.822 1.918 20 5 GDBDRN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCC1CC(F)(F)C1 ZINC000457181069 531949598 /nfs/dbraw/zinc/94/95/98/531949598.db2.gz JXNBUXKQGXQHOQ-UHFFFAOYSA-N 0 0 377.369 1.425 20 5 GDBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000284497087 531964855 /nfs/dbraw/zinc/96/48/55/531964855.db2.gz YVXZSNBIHDNFIP-QMMMGPOBSA-N 0 0 391.243 1.925 20 5 GDBDRN C[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000598015582 531965309 /nfs/dbraw/zinc/96/53/09/531965309.db2.gz YHAXOVWNLPRKRY-JTQLQIEISA-N 0 0 384.439 1.597 20 5 GDBDRN Cc1nc([C@@H]2COCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])no1 ZINC000369432654 531965407 /nfs/dbraw/zinc/96/54/07/531965407.db2.gz ABPGTEJDMHTDKQ-NSHDSACASA-N 0 0 388.789 1.702 20 5 GDBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000271103353 531965992 /nfs/dbraw/zinc/96/59/92/531965992.db2.gz LSBBSKPIGLTONS-QWHCGFSZSA-N 0 0 382.360 1.855 20 5 GDBDRN C[C@H]1CC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CS1(=O)=O ZINC000598189415 531973718 /nfs/dbraw/zinc/97/37/18/531973718.db2.gz XGCMYTAOEFIFOF-WCBMZHEXSA-N 0 0 378.353 1.892 20 5 GDBDRN C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CS1(=O)=O ZINC000598189493 531973917 /nfs/dbraw/zinc/97/39/17/531973917.db2.gz YIOHXZWIAXHNJK-DTWKUNHWSA-N 0 0 378.353 1.892 20 5 GDBDRN COc1ccc(S(=O)(=O)N2CCN(CCSC)CC2)cc1[N+](=O)[O-] ZINC000299270437 531973998 /nfs/dbraw/zinc/97/39/98/531973998.db2.gz IXAIKDXTRKTHDJ-UHFFFAOYSA-N 0 0 375.472 1.273 20 5 GDBDRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598031471 531964381 /nfs/dbraw/zinc/96/43/81/531964381.db2.gz XELSLFWGAJVFQG-ONGXEEELSA-N 0 0 382.316 1.155 20 5 GDBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@H](CN2CCOCC2)C1 ZINC000370575864 531993591 /nfs/dbraw/zinc/99/35/91/531993591.db2.gz MYHUCICLNLWGMA-LLVKDONJSA-N 0 0 399.245 1.547 20 5 GDBDRN O=C([O-])[C@@H]1[C@H]2CCC[N@@H+]2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000370567954 531993870 /nfs/dbraw/zinc/99/38/70/531993870.db2.gz JFRVMWIDWLKXPR-YPMHNXCESA-N 0 0 389.817 1.170 20 5 GDBDRN CC(C)(C)[C@@H](O)C[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000284685618 531980255 /nfs/dbraw/zinc/98/02/55/531980255.db2.gz OLEMZAYFPLXMSN-RNCFNFMXSA-N 0 0 380.850 1.685 20 5 GDBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000284724875 531984045 /nfs/dbraw/zinc/98/40/45/531984045.db2.gz RRGLDEDDVVWHJT-YGRLFVJLSA-N 0 0 376.431 1.040 20 5 GDBDRN COc1ccc(S(=O)(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284736766 531985366 /nfs/dbraw/zinc/98/53/66/531985366.db2.gz SNIXTORFGUJWJW-HZMBPMFUSA-N 0 0 376.431 1.040 20 5 GDBDRN CN(CC(=O)N1CCOCC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598980258 532002410 /nfs/dbraw/zinc/00/24/10/532002410.db2.gz MSBAGRWTBALYTD-UHFFFAOYSA-N 0 0 386.202 1.288 20 5 GDBDRN CS(=O)(=O)N1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000598985364 532001671 /nfs/dbraw/zinc/00/16/71/532001671.db2.gz PBGYXALNWJIABF-UHFFFAOYSA-N 0 0 392.231 1.075 20 5 GDBDRN CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000299573021 532003581 /nfs/dbraw/zinc/00/35/81/532003581.db2.gz BYXJHWQGINJBON-FZMZJTMJSA-N 0 0 387.483 1.882 20 5 GDBDRN NC(=O)NC[C@@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599081287 532004108 /nfs/dbraw/zinc/00/41/08/532004108.db2.gz LGSSJEIQAZCGIP-VIFPVBQESA-N 0 0 385.218 1.878 20 5 GDBDRN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)cc1OC(F)F ZINC000599128280 532008040 /nfs/dbraw/zinc/00/80/40/532008040.db2.gz JCOGGFUQIAAMDD-UHFFFAOYSA-N 0 0 377.369 1.810 20 5 GDBDRN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000599210664 532013081 /nfs/dbraw/zinc/01/30/81/532013081.db2.gz WPYGWEXSFMPQHK-QMMMGPOBSA-N 0 0 376.341 1.969 20 5 GDBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC(=O)N(C)C1 ZINC000576150947 532019003 /nfs/dbraw/zinc/01/90/03/532019003.db2.gz PNNDKHKGWRRCJN-LBPRGKRZSA-N 0 0 384.230 1.979 20 5 GDBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1 ZINC000299672253 532017990 /nfs/dbraw/zinc/01/79/90/532017990.db2.gz YWKGTROAUJYWCW-CYBMUJFWSA-N 0 0 385.467 1.588 20 5 GDBDRN CCN(c1ccc(Br)cn1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599238253 532018205 /nfs/dbraw/zinc/01/82/05/532018205.db2.gz PMOZYZPSYOZPHW-UHFFFAOYSA-N 0 0 390.219 1.701 20 5 GDBDRN O=C(NC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1I ZINC000299691722 532020774 /nfs/dbraw/zinc/02/07/74/532020774.db2.gz MBSSJPRVMNUFJO-QMMMGPOBSA-N 0 0 376.150 1.966 20 5 GDBDRN Cc1c(NC(=O)NC[C@@H](O)Cn2ccnn2)cc(Br)cc1[N+](=O)[O-] ZINC000459551970 532021490 /nfs/dbraw/zinc/02/14/90/532021490.db2.gz XXIPCNROMNJRPM-SNVBAGLBSA-N 0 0 399.205 1.440 20 5 GDBDRN NC(=O)N1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000285175549 532042403 /nfs/dbraw/zinc/04/24/03/532042403.db2.gz MQHUCZBCDKGAJF-UHFFFAOYSA-N 0 0 380.785 1.162 20 5 GDBDRN CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000271705794 532043583 /nfs/dbraw/zinc/04/35/83/532043583.db2.gz OMAYEZGISUGDMN-WRWORJQWSA-N 0 0 399.288 1.748 20 5 GDBDRN C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CCN1CCO ZINC000302344971 532046351 /nfs/dbraw/zinc/04/63/51/532046351.db2.gz APQKIIJOENLGSH-SNVBAGLBSA-N 0 0 391.209 1.702 20 5 GDBDRN CC(C)[C@@](C)(NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(N)=O ZINC000285229427 532051117 /nfs/dbraw/zinc/05/11/17/532051117.db2.gz FWUNYTVCVYRZJR-GFCCVEGCSA-N 0 0 394.247 1.536 20 5 GDBDRN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000372869376 532050377 /nfs/dbraw/zinc/05/03/77/532050377.db2.gz OTOIIJIUMYHIBC-VIFPVBQESA-N 0 0 382.847 1.303 20 5 GDBDRN Cc1cc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])s1 ZINC000601289412 532059482 /nfs/dbraw/zinc/05/94/82/532059482.db2.gz NIBAWILMKANQSX-UHFFFAOYSA-N 0 0 382.467 1.866 20 5 GDBDRN COC(=O)[C@@]1(C(F)(F)F)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000285288524 532061989 /nfs/dbraw/zinc/06/19/89/532061989.db2.gz KYQKTRWPGOVHKS-GFCCVEGCSA-N 0 0 382.316 1.711 20 5 GDBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@](C)(O)C(F)(F)F ZINC000271919510 532064961 /nfs/dbraw/zinc/06/49/61/532064961.db2.gz DBDGGTGBFROJLY-LLVKDONJSA-N 0 0 387.336 1.502 20 5 GDBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@@H](O)CN1CCOCC1 ZINC000319404522 532066962 /nfs/dbraw/zinc/06/69/62/532066962.db2.gz BVESELNAPZNDBO-LBPRGKRZSA-N 0 0 375.219 1.738 20 5 GDBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@H](O)CN1CCOCC1 ZINC000319404519 532065910 /nfs/dbraw/zinc/06/59/10/532065910.db2.gz BVESELNAPZNDBO-GFCCVEGCSA-N 0 0 375.219 1.738 20 5 GDBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000285417583 532081115 /nfs/dbraw/zinc/08/11/15/532081115.db2.gz VKRZSGKXRRIAGT-BDAKNGLRSA-N 0 0 386.323 1.915 20 5 GDBDRN Cc1nc(CNC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)sc1C ZINC000470538512 532084813 /nfs/dbraw/zinc/08/48/13/532084813.db2.gz QMWOLGYHXBIKHR-UHFFFAOYSA-N 0 0 384.439 1.554 20 5 GDBDRN O=C(NCCN1C(=O)CSC1=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272248375 532088263 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GDBDRN CCC(=O)N1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000101573556 530825125 /nfs/dbraw/zinc/82/51/25/530825125.db2.gz MIGMXDFZKOHWBJ-UHFFFAOYSA-N 0 0 375.834 1.881 20 5 GDBDRN CNC(=O)C1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000186156315 530852303 /nfs/dbraw/zinc/85/23/03/530852303.db2.gz FRLWGYORXFIXLY-UHFFFAOYSA-N 0 0 376.594 1.829 20 5 GDBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@]2(C)C(N)=O)cc1[N+](=O)[O-] ZINC000186615419 530858542 /nfs/dbraw/zinc/85/85/42/530858542.db2.gz TYRVFCWGOULZHY-CQSZACIVSA-N 0 0 375.834 1.975 20 5 GDBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCn2cnnc2C1 ZINC000111369844 530875131 /nfs/dbraw/zinc/87/51/31/530875131.db2.gz HAXIIXDHQNQZQY-UHFFFAOYSA-N 0 0 388.203 1.153 20 5 GDBDRN O=[N+]([O-])c1ccc(Cl)c(CNCCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000111404944 530875158 /nfs/dbraw/zinc/87/51/58/530875158.db2.gz AJWKMOVIWBSFML-CQSZACIVSA-N 0 0 391.877 1.826 20 5 GDBDRN NC(=O)c1cc([N+](=O)[O-])cn(Cc2nc3cc(Br)ccc3[nH]2)c1=O ZINC000185514509 530843117 /nfs/dbraw/zinc/84/31/17/530843117.db2.gz GGCRGGGGTNAZEE-UHFFFAOYSA-N 0 0 392.169 1.543 20 5 GDBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000105734795 530844278 /nfs/dbraw/zinc/84/42/78/530844278.db2.gz JLPWMDABPJUTHM-LLVKDONJSA-N 0 0 387.483 1.616 20 5 GDBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)c1 ZINC000189087901 530907723 /nfs/dbraw/zinc/90/77/23/530907723.db2.gz UQRLZHFRQLCRJH-NWDGAFQWSA-N 0 0 391.877 1.632 20 5 GDBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000112056627 530878026 /nfs/dbraw/zinc/87/80/26/530878026.db2.gz BFOQSJGJAQSUNZ-SECBINFHSA-N 0 0 377.344 1.966 20 5 GDBDRN C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000188360485 530892332 /nfs/dbraw/zinc/89/23/32/530892332.db2.gz QPJDGVVKNFIPSM-QMMMGPOBSA-N 0 0 381.332 1.465 20 5 GDBDRN CC(C)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000188376016 530892994 /nfs/dbraw/zinc/89/29/94/530892994.db2.gz VGYIXDIYGMJRKY-UHFFFAOYSA-N 0 0 375.834 1.737 20 5 GDBDRN CCN(CC(N)=O)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000188460438 530894817 /nfs/dbraw/zinc/89/48/17/530894817.db2.gz XZPWAHVHCVEVBO-UHFFFAOYSA-N 0 0 377.138 1.147 20 5 GDBDRN NC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000119921031 530933194 /nfs/dbraw/zinc/93/31/94/530933194.db2.gz YAUNMSVJGHFYDJ-SSDOTTSWSA-N 0 0 389.149 1.147 20 5 GDBDRN COCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000119130220 530922714 /nfs/dbraw/zinc/92/27/14/530922714.db2.gz BNSAGUKJBKICHS-UHFFFAOYSA-N 0 0 386.202 1.288 20 5 GDBDRN CC(C)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000119528018 530927621 /nfs/dbraw/zinc/92/76/21/530927621.db2.gz WAOLQZJQPLYKEF-CQSZACIVSA-N 0 0 391.877 1.883 20 5 GDBDRN O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1 ZINC000121865952 530962721 /nfs/dbraw/zinc/96/27/21/530962721.db2.gz UUVWVLXDWNMXAQ-PWSUYJOCSA-N 0 0 387.845 1.928 20 5 GDBDRN Cc1sc(S(=O)(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000123214484 530981101 /nfs/dbraw/zinc/98/11/01/530981101.db2.gz PPLIIWMCOOKRSV-NSHDSACASA-N 0 0 389.499 1.839 20 5 GDBDRN CC[C@@H](CO)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000123264720 530981528 /nfs/dbraw/zinc/98/15/28/530981528.db2.gz ZIEJBYNYGUMECB-LBPRGKRZSA-N 0 0 391.877 1.634 20 5 GDBDRN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CCS1(=O)=O ZINC000192354390 530967332 /nfs/dbraw/zinc/96/73/32/530967332.db2.gz FLWIJKJVZXDXAK-MRVPVSSYSA-N 0 0 377.216 1.616 20 5 GDBDRN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000127799111 531034111 /nfs/dbraw/zinc/03/41/11/531034111.db2.gz NCNQOILWJPZOOZ-CYBMUJFWSA-N 0 0 389.861 1.719 20 5 GDBDRN CCCN(CC(=O)NC)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000126183430 531015203 /nfs/dbraw/zinc/01/52/03/531015203.db2.gz QXZCNJKSYKJPEQ-UHFFFAOYSA-N 0 0 394.247 1.504 20 5 GDBDRN CCCc1n[nH]c(C(=O)Nc2cc(Br)c(=O)n(C)c2)c1[N+](=O)[O-] ZINC000127068665 531026003 /nfs/dbraw/zinc/02/60/03/531026003.db2.gz QUCPEHKZKVQTLW-UHFFFAOYSA-N 0 0 384.190 1.984 20 5 GDBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1C(=O)N(CCO)CC(F)F ZINC000194373630 531004448 /nfs/dbraw/zinc/00/44/48/531004448.db2.gz PQZQXXZKIKVNKO-SECBINFHSA-N 0 0 377.369 1.347 20 5 GDBDRN Cc1nn(C)c(NCCNS(=O)(=O)c2ccc(Cl)s2)c1[N+](=O)[O-] ZINC000128754665 531044536 /nfs/dbraw/zinc/04/45/36/531044536.db2.gz LVADTKSMLDRXJJ-UHFFFAOYSA-N 0 0 379.851 1.742 20 5 GDBDRN O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)NC(=O)Nc1ccccc1 ZINC000132649344 531082609 /nfs/dbraw/zinc/08/26/09/531082609.db2.gz AHMVNRMVDRBNLA-UHFFFAOYSA-N 0 0 395.169 1.867 20 5 GDBDRN CCC(=O)N1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000133129467 531087875 /nfs/dbraw/zinc/08/78/75/531087875.db2.gz GBKWBWQVVJMOSH-JTQLQIEISA-N 0 0 375.834 1.846 20 5 GDBDRN Cc1nc(NC(=O)c2nc3ncc(Br)cn3n2)ccc1[N+](=O)[O-] ZINC000134042112 531096228 /nfs/dbraw/zinc/09/62/28/531096228.db2.gz FQDOBRLAOMOEAE-UHFFFAOYSA-N 0 0 378.146 1.751 20 5 GDBDRN Cn1ccnc1[C@@H]1CNCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261952050 531103734 /nfs/dbraw/zinc/10/37/34/531103734.db2.gz GCMBELHVSXHOFV-LBPRGKRZSA-N 0 0 385.833 1.317 20 5 GDBDRN CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000151915201 531144058 /nfs/dbraw/zinc/14/40/58/531144058.db2.gz TUPQMIYAUIAOLE-LLVKDONJSA-N 0 0 388.243 1.961 20 5 GDBDRN CCS(=O)(=O)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000152191138 531147988 /nfs/dbraw/zinc/14/79/88/531147988.db2.gz SYUYKYOMBWMIQO-QMMMGPOBSA-N 0 0 379.232 1.910 20 5 GDBDRN C[C@H](O)C[C@@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000152454093 531151986 /nfs/dbraw/zinc/15/19/86/531151986.db2.gz UVTWWROOQYQIJH-GXFFZTMASA-N 0 0 387.230 1.898 20 5 GDBDRN CCn1cnnc1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000263911851 531160285 /nfs/dbraw/zinc/16/02/85/531160285.db2.gz LDDONLWYMHBMJG-UHFFFAOYSA-N 0 0 390.219 1.447 20 5 GDBDRN C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000263926053 531160810 /nfs/dbraw/zinc/16/08/10/531160810.db2.gz VHTQRCSLOVKCEB-VIFPVBQESA-N 0 0 389.231 1.921 20 5 GDBDRN CC(C)[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(N)=O ZINC000153145855 531162915 /nfs/dbraw/zinc/16/29/15/531162915.db2.gz QLCKNODBCFNMSL-SNVBAGLBSA-N 0 0 391.165 1.439 20 5 GDBDRN Cn1c(Cl)cnc1COc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000264025019 531165404 /nfs/dbraw/zinc/16/54/04/531165404.db2.gz SPZKIQGDDOODBN-UHFFFAOYSA-N 0 0 390.761 1.872 20 5 GDBDRN Cc1ccc(S(=O)(=O)NCCNC(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000154102992 531178152 /nfs/dbraw/zinc/17/81/52/531178152.db2.gz WKVSKWNWWXRTCW-UHFFFAOYSA-N 0 0 383.451 1.981 20 5 GDBDRN Cc1nc(CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)no1 ZINC000155247883 531198085 /nfs/dbraw/zinc/19/80/85/531198085.db2.gz YLHTWAKNAUMFDZ-UHFFFAOYSA-N 0 0 388.121 1.821 20 5 GDBDRN CNC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000264722867 531198901 /nfs/dbraw/zinc/19/89/01/531198901.db2.gz HWJOCHFRHIOBJJ-VIFPVBQESA-N 0 0 377.369 1.554 20 5 GDBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCc1nccs1 ZINC000290210392 531216970 /nfs/dbraw/zinc/21/69/70/531216970.db2.gz VBFAHZMOQALERG-UHFFFAOYSA-N 0 0 385.423 1.749 20 5 GDBDRN Cc1ccc(C)c(S(=O)(=O)N([C@H](C)CS(C)(=O)=O)C2CC2)c1[N+](=O)[O-] ZINC000276575952 531215293 /nfs/dbraw/zinc/21/52/93/531215293.db2.gz BIBFKPAHYAQWBA-GFCCVEGCSA-N 0 0 390.483 1.798 20 5 GDBDRN C[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)S1(=O)=O ZINC000290425223 531232107 /nfs/dbraw/zinc/23/21/07/531232107.db2.gz OYVKUWGLXJVWRD-DTORHVGOSA-N 0 0 389.817 1.221 20 5 GDBDRN CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000276841407 531232511 /nfs/dbraw/zinc/23/25/11/531232511.db2.gz PVXMMQCEQVHEKB-LBPRGKRZSA-N 0 0 378.472 1.655 20 5 GDBDRN CS(=O)(=O)N1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000265276054 531238897 /nfs/dbraw/zinc/23/88/97/531238897.db2.gz NSPBTFCIGSHKOU-UHFFFAOYSA-N 0 0 391.833 1.121 20 5 GDBDRN CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)OCCCO1 ZINC000276907782 531239110 /nfs/dbraw/zinc/23/91/10/531239110.db2.gz JMRNJGWBNTUPPY-UHFFFAOYSA-N 0 0 395.231 1.789 20 5 GDBDRN CO[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276917960 531239384 /nfs/dbraw/zinc/23/93/84/531239384.db2.gz KTTHIINVSYLZCA-PHIMTYICSA-N 0 0 395.231 1.392 20 5 GDBDRN Cc1cc(S(=O)(=O)N2CC[C@H](C)S(=O)(=O)CC2)cc([N+](=O)[O-])c1F ZINC000277011407 531248058 /nfs/dbraw/zinc/24/80/58/531248058.db2.gz LNOCCNVKAULKNJ-JTQLQIEISA-N 0 0 380.419 1.240 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(N3CCOCC3)CC2)c(Cl)c1 ZINC000434762953 531248985 /nfs/dbraw/zinc/24/89/85/531248985.db2.gz CNTPKQPGWYFIGA-UHFFFAOYSA-N 0 0 375.834 1.391 20 5 GDBDRN Cc1cc(C)c(S(=O)(=O)N(CCS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] ZINC000277034696 531252014 /nfs/dbraw/zinc/25/20/14/531252014.db2.gz JJXXBEKPJBASTO-UHFFFAOYSA-N 0 0 376.456 1.409 20 5 GDBDRN CS(=O)(=O)c1ccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000277051624 531252241 /nfs/dbraw/zinc/25/22/41/531252241.db2.gz IJRGFUKVKDUECK-UHFFFAOYSA-N 0 0 386.817 1.555 20 5 GDBDRN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 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/nfs/dbraw/zinc/87/22/23/654872223.db2.gz OIGSUIWNOYABHU-VWLOTQADSA-N 0 0 375.397 1.318 20 5 GDBDRN CC(C)COCCOC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000800113438 654873137 /nfs/dbraw/zinc/87/31/37/654873137.db2.gz OMWCVSUHICMDGM-UHFFFAOYSA-N 0 0 394.833 1.742 20 5 GDBDRN O=C(COC(=O)c1ccc(I)c([N+](=O)[O-])c1)NC1CC1 ZINC000727520899 654874466 /nfs/dbraw/zinc/87/44/66/654874466.db2.gz BPNRXOSHUAPXPI-UHFFFAOYSA-N 0 0 390.133 1.635 20 5 GDBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(OCCOCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000728442393 654888490 /nfs/dbraw/zinc/88/84/90/654888490.db2.gz SMOZZZWFWVBFCX-UHFFFAOYSA-N 0 0 388.276 1.864 20 5 GDBDRN CC[C@H](C)NC(=O)COc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000728443281 654888551 /nfs/dbraw/zinc/88/85/51/654888551.db2.gz MNQQJVLTQSGVJX-QMMMGPOBSA-N 0 0 375.359 1.200 20 5 GDBDRN O=C(NC[C@H](O)c1cccc(Br)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000800696559 654893193 /nfs/dbraw/zinc/89/31/93/654893193.db2.gz CMPYGWFKTSRZCA-LBPRGKRZSA-N 0 0 382.170 1.921 20 5 GDBDRN CCOC(=O)CN(C)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000784685816 654894115 /nfs/dbraw/zinc/89/41/15/654894115.db2.gz RXRXKPAYIUYSHZ-UHFFFAOYSA-N 0 0 376.724 1.566 20 5 GDBDRN COC(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000784736504 654895736 /nfs/dbraw/zinc/89/57/36/654895736.db2.gz BYGRMRIAKPZESP-UHFFFAOYSA-N 0 0 381.204 1.507 20 5 GDBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](C(F)F)C1 ZINC000800875867 654898462 /nfs/dbraw/zinc/89/84/62/654898462.db2.gz QNTCBGYRXJUSQT-NSHDSACASA-N 0 0 381.357 1.247 20 5 GDBDRN Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000752250022 654924119 /nfs/dbraw/zinc/92/41/19/654924119.db2.gz AZIQTXOAWVOJMC-ZJUUUORDSA-N 0 0 398.890 1.999 20 5 GDBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)N1CCCCC1=O ZINC000830037523 654927009 /nfs/dbraw/zinc/92/70/09/654927009.db2.gz SENNTARXPHNYEV-SECBINFHSA-N 0 0 385.218 1.883 20 5 GDBDRN Cn1nc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1Br ZINC000830092516 654930069 /nfs/dbraw/zinc/93/00/69/654930069.db2.gz LHKMBBCURWSRGC-UHFFFAOYSA-N 0 0 381.186 1.994 20 5 GDBDRN CC(C)(C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)S(C)(=O)=O ZINC000785992316 654930203 /nfs/dbraw/zinc/93/02/03/654930203.db2.gz KNYDNZVZWTWLPW-UHFFFAOYSA-N 0 0 378.790 1.553 20 5 GDBDRN CN1CC[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2Br)S1(=O)=O ZINC000830152048 654931606 /nfs/dbraw/zinc/93/16/06/654931606.db2.gz FCXOPWNVDWEGSG-JTQLQIEISA-N 0 0 393.215 1.434 20 5 GDBDRN CN1CC[C@H](C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])S1(=O)=O ZINC000830152930 654931937 /nfs/dbraw/zinc/93/19/37/654931937.db2.gz OBPHJYIFIHRQAE-SNVBAGLBSA-N 0 0 383.209 1.979 20 5 GDBDRN CCS(=O)(=O)NCCCOC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000753324931 654946813 /nfs/dbraw/zinc/94/68/13/654946813.db2.gz DVZPQPHOWTUJNL-NSHDSACASA-N 0 0 376.456 1.948 20 5 GDBDRN COC(=O)[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])[C@H]1C ZINC000786813178 654950205 /nfs/dbraw/zinc/95/02/05/654950205.db2.gz KWTPZZNIMTVJOS-WPRPVWTQSA-N 0 0 378.353 1.979 20 5 GDBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccncc1I ZINC000787120352 654959879 /nfs/dbraw/zinc/95/98/79/654959879.db2.gz SULYKZSQWURVFO-UHFFFAOYSA-N 0 0 384.133 1.851 20 5 GDBDRN CC(C)SCCOC(=O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000803264233 654971170 /nfs/dbraw/zinc/97/11/70/654971170.db2.gz QITNHAOQRDIRRT-UHFFFAOYSA-N 0 0 377.444 1.339 20 5 GDBDRN Nc1cc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)ccc1S(N)(=O)=O ZINC000803702621 654982239 /nfs/dbraw/zinc/98/22/39/654982239.db2.gz ADGANRPNPXFICK-UHFFFAOYSA-N 0 0 385.785 1.835 20 5 GDBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2cncc(Cl)c2)c(-n2cnnn2)c1 ZINC000755276583 654989180 /nfs/dbraw/zinc/98/91/80/654989180.db2.gz WVKMNIDPMRYSGF-UHFFFAOYSA-N 0 0 382.745 1.387 20 5 GDBDRN O=C(NC[C@@H]1CSCCS1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000755493141 654993129 /nfs/dbraw/zinc/99/31/29/654993129.db2.gz DVRLDXNJRHUPPI-MNOVXSKESA-N 0 0 385.467 1.757 20 5 GDBDRN COC[C@@](C)(O)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000831778063 654996937 /nfs/dbraw/zinc/99/69/37/654996937.db2.gz JBWNLEMDHHKEJM-LBPRGKRZSA-N 0 0 397.247 1.423 20 5 GDBDRN CC(C)(C[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1)C(N)=O ZINC000831849157 654999358 /nfs/dbraw/zinc/99/93/58/654999358.db2.gz YCSUSXMTLCNLHP-SNVBAGLBSA-N 0 0 375.472 1.959 20 5 GDBDRN C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000804811737 655001040 /nfs/dbraw/zinc/00/10/40/655001040.db2.gz BNVMKABSPOGVJC-MRVPVSSYSA-N 0 0 398.409 1.969 20 5 GDBDRN CC(C)[C@@H](CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000805109990 655025838 /nfs/dbraw/zinc/02/58/38/655025838.db2.gz LPIVRVRSFFVZHW-SECBINFHSA-N 0 0 381.248 1.900 20 5 GDBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000832310464 655026904 /nfs/dbraw/zinc/02/69/04/655026904.db2.gz RZRLLDFFMVNBNK-AOOOYVTPSA-N 0 0 393.824 1.529 20 5 GDBDRN CS(=O)(=O)N1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000756921127 655029575 /nfs/dbraw/zinc/02/95/75/655029575.db2.gz BXSQDOWLKQHTTR-UHFFFAOYSA-N 0 0 390.849 1.471 20 5 GDBDRN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)NC ZINC000832745869 655050888 /nfs/dbraw/zinc/05/08/88/655050888.db2.gz NGQGRYOHLZGEQW-SECBINFHSA-N 0 0 380.220 1.160 20 5 GDBDRN CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)NC ZINC000832745817 655050950 /nfs/dbraw/zinc/05/09/50/655050950.db2.gz MRUBQSGBRXPKKQ-SECBINFHSA-N 0 0 380.220 1.160 20 5 GDBDRN COC(=O)CCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790825757 655058465 /nfs/dbraw/zinc/05/84/65/655058465.db2.gz BMQBDBWYCOSUCM-UHFFFAOYSA-N 0 0 375.359 1.303 20 5 GDBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[C@@H](C)[S@@](C)=O)c(C)c1[N+](=O)[O-] ZINC000790861339 655059982 /nfs/dbraw/zinc/05/99/82/655059982.db2.gz DBWFLLFODVDHSV-KFKUIPHHSA-N 0 0 393.443 1.555 20 5 GDBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCCc2nc(-c3ccccc3)n[nH]2)cs1 ZINC000790877581 655060546 /nfs/dbraw/zinc/06/05/46/655060546.db2.gz SMFLDGGTGLHTCM-UHFFFAOYSA-N 0 0 379.423 1.962 20 5 GDBDRN COc1ccc(OS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000790898055 655061054 /nfs/dbraw/zinc/06/10/54/655061054.db2.gz IXTZOXFWHHXZTA-UHFFFAOYSA-N 0 0 387.391 1.775 20 5 GDBDRN CCS(=O)(=O)CCN(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000760040616 655099997 /nfs/dbraw/zinc/09/99/97/655099997.db2.gz JUSRLJCQHNHQNB-UHFFFAOYSA-N 0 0 376.456 1.832 20 5 GDBDRN CC(C)(C)OC(=O)NCC[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000792976565 655103869 /nfs/dbraw/zinc/10/38/69/655103869.db2.gz DSALKDPUSFWRAC-MRVPVSSYSA-N 0 0 379.211 1.830 20 5 GDBDRN COC(=O)c1ccc(OS(=O)(=O)CC(C)(C)C(=O)OC)cc1[N+](=O)[O-] ZINC000808307185 655104300 /nfs/dbraw/zinc/10/43/00/655104300.db2.gz NMKBXBMKYRFRQC-UHFFFAOYSA-N 0 0 375.355 1.289 20 5 GDBDRN Cn1ncc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Br ZINC000760307047 655107754 /nfs/dbraw/zinc/10/77/54/655107754.db2.gz RUQMCBSHVASNLD-VIFPVBQESA-N 0 0 395.217 1.812 20 5 GDBDRN CC(=O)N1CC(OC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000836039074 655130546 /nfs/dbraw/zinc/13/05/46/655130546.db2.gz YZUZDZHHSLCLQH-UHFFFAOYSA-N 0 0 390.133 1.587 20 5 GDBDRN CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809814825 655137449 /nfs/dbraw/zinc/13/74/49/655137449.db2.gz CKYKLWQUASIQLK-LBPRGKRZSA-N 0 0 379.797 1.532 20 5 GDBDRN COCCN1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809815699 655137540 /nfs/dbraw/zinc/13/75/40/655137540.db2.gz OJZDOOKWFASYKV-SNVBAGLBSA-N 0 0 395.840 1.776 20 5 GDBDRN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H]1CN(C)CCO1 ZINC000809827560 655139225 /nfs/dbraw/zinc/13/92/25/655139225.db2.gz OXTHYHPCSOQLGE-PRHODGIISA-N 0 0 398.268 1.899 20 5 GDBDRN C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)S(C)(=O)=O ZINC000809827920 655139506 /nfs/dbraw/zinc/13/95/06/655139506.db2.gz DPVIZNKZKIDWMM-LURJTMIESA-N 0 0 391.254 1.613 20 5 GDBDRN Cn1c(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)nnc1C1CC1 ZINC000809831948 655140093 /nfs/dbraw/zinc/14/00/93/655140093.db2.gz KQANWXKASGPROL-UHFFFAOYSA-N 0 0 389.796 1.872 20 5 GDBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCCC2CS(=O)(=O)C2)cc1Cl ZINC000809834679 655140502 /nfs/dbraw/zinc/14/05/02/655140502.db2.gz CIASREQPPWECKT-UHFFFAOYSA-N 0 0 386.810 1.100 20 5 GDBDRN CC(C)CN1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1=O ZINC000809834425 655140531 /nfs/dbraw/zinc/14/05/31/655140531.db2.gz ILSBDHUELCITFQ-UHFFFAOYSA-N 0 0 393.824 1.876 20 5 GDBDRN COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H]1C ZINC000809834718 655140671 /nfs/dbraw/zinc/14/06/71/655140671.db2.gz CXUBJIVYUYBWFA-JGVFFNPUSA-N 0 0 380.781 1.959 20 5 GDBDRN Nc1ccc(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)cc1Br ZINC000761409911 655145359 /nfs/dbraw/zinc/14/53/59/655145359.db2.gz XQRVLMVNCLBIHY-UHFFFAOYSA-N 0 0 382.170 1.958 20 5 GDBDRN CNS(=O)(=O)C1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836673500 655150200 /nfs/dbraw/zinc/15/02/00/655150200.db2.gz UHKUIKCRIUVHGC-UHFFFAOYSA-N 0 0 375.834 1.710 20 5 GDBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cs1 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383.206 1.811 20 5 GDBDRN COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589921885 652119121 /nfs/dbraw/zinc/11/91/21/652119121.db2.gz CKSIAYAZYCSWSR-PELKAZGASA-N 0 0 384.332 1.728 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000593581063 652220104 /nfs/dbraw/zinc/22/01/04/652220104.db2.gz OJDHZPUYWFTBNU-SKDRFNHKSA-N 0 0 383.348 1.752 20 5 GDBDRN CC[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000593667639 652236340 /nfs/dbraw/zinc/23/63/40/652236340.db2.gz LQYOFFMBQJSNGA-SNVBAGLBSA-N 0 0 376.435 1.552 20 5 GDBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(Cc2nc[nH]n2)CC1 ZINC000593859507 652254976 /nfs/dbraw/zinc/25/49/76/652254976.db2.gz VIGLBPCDSKAFCQ-UHFFFAOYSA-N 0 0 395.217 1.433 20 5 GDBDRN COCCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000594471062 652300834 /nfs/dbraw/zinc/30/08/34/652300834.db2.gz DHUANTUMHFCEOP-GFCCVEGCSA-N 0 0 386.348 1.296 20 5 GDBDRN 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/nfs/dbraw/zinc/39/34/56/652393456.db2.gz SZLNCIHBWJHMNS-CQSZACIVSA-N 0 0 382.829 1.978 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(COC3)C2)c(Br)c1 ZINC000595369583 652413543 /nfs/dbraw/zinc/41/35/43/652413543.db2.gz QWTLKARSFQWHSK-UHFFFAOYSA-N 0 0 377.216 1.768 20 5 GDBDRN O=C1CCCN1C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595370697 652413558 /nfs/dbraw/zinc/41/35/58/652413558.db2.gz NSRDJMZCWQIQOH-NSHDSACASA-N 0 0 387.845 1.881 20 5 GDBDRN C[C@@]1(CNC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000595783215 652424989 /nfs/dbraw/zinc/42/49/89/652424989.db2.gz OVPINHNFDAODPN-ZDUSSCGKSA-N 0 0 377.369 1.713 20 5 GDBDRN O=[N+]([O-])c1ccc(CO)c(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000596634529 652442851 /nfs/dbraw/zinc/44/28/51/652442851.db2.gz IZWLWBFAJXVUDL-UHFFFAOYSA-N 0 0 384.435 1.837 20 5 GDBDRN Cc1nnc(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)s1 ZINC000596798520 652445748 /nfs/dbraw/zinc/44/57/48/652445748.db2.gz SQPUMXVFAJXFSJ-UHFFFAOYSA-N 0 0 381.439 1.343 20 5 GDBDRN C[C@@]1(CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(F)F ZINC000598220709 652468102 /nfs/dbraw/zinc/46/81/02/652468102.db2.gz QARCZTKOYSBWSS-CYBMUJFWSA-N 0 0 377.369 1.425 20 5 GDBDRN Cc1cccc(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)c1[N+](=O)[O-] ZINC000598502833 652470079 /nfs/dbraw/zinc/47/00/79/652470079.db2.gz STFGNUWXCZOSIO-UHFFFAOYSA-N 0 0 381.435 1.811 20 5 GDBDRN Cc1sc(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)cc1[N+](=O)[O-] ZINC000598503194 652470379 /nfs/dbraw/zinc/47/03/79/652470379.db2.gz XKSUUVZGLJWATF-UHFFFAOYSA-N 0 0 387.464 1.872 20 5 GDBDRN CS(=O)(=O)NCCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599016130 652477767 /nfs/dbraw/zinc/47/77/67/652477767.db2.gz LIDBIQLQVKWSRG-UHFFFAOYSA-N 0 0 380.220 1.026 20 5 GDBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@H](O)[C@H]1CCCO1 ZINC000599392892 652489284 /nfs/dbraw/zinc/48/92/84/652489284.db2.gz ZYGZWGUICLJBGL-WDEREUQCSA-N 0 0 395.231 1.176 20 5 GDBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H]2COCCC2=O)cc1[N+](=O)[O-] ZINC000599442319 652497881 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GDBDRN CNS(=O)(=O)CCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600665296 652550999 /nfs/dbraw/zinc/55/09/99/652550999.db2.gz FYWLEMRJQZLLDL-UHFFFAOYSA-N 0 0 381.863 1.396 20 5 GDBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(Cc2ccccc2Br)C1 ZINC000600760439 652552015 /nfs/dbraw/zinc/55/20/15/652552015.db2.gz UDRVDDIMZHVANK-UHFFFAOYSA-N 0 0 380.202 1.650 20 5 GDBDRN Cc1nnc(N2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)n1C ZINC000601185589 652564873 /nfs/dbraw/zinc/56/48/73/652564873.db2.gz XLCPDCJFEACYAO-UHFFFAOYSA-N 0 0 382.222 1.516 20 5 GDBDRN CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3cc(C)sc3[N+](=O)[O-])[C@@H]2C1 ZINC000601378018 652572903 /nfs/dbraw/zinc/57/29/03/652572903.db2.gz NHSQQLKBDDHVIS-IJLUTSLNSA-N 0 0 376.456 1.922 20 5 GDBDRN Cc1ncc([N+](=O)[O-])n1CCn1cc(F)cc(I)c1=O ZINC000601915041 652610641 /nfs/dbraw/zinc/61/06/41/652610641.db2.gz YYQQGUKMYBPNNH-UHFFFAOYSA-N 0 0 392.128 1.705 20 5 GDBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000601979418 652612971 /nfs/dbraw/zinc/61/29/71/652612971.db2.gz FCHLRHUOXAZAFF-DTORHVGOSA-N 0 0 377.216 1.624 20 5 GDBDRN COC(=O)CN(CC(=O)OC)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602456542 652637796 /nfs/dbraw/zinc/63/77/96/652637796.db2.gz YIEFHMPNURBEQY-UHFFFAOYSA-N 0 0 381.204 1.567 20 5 GDBDRN NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000609680463 652854629 /nfs/dbraw/zinc/85/46/29/652854629.db2.gz SMRNMRBAMPWNPH-UHFFFAOYSA-N 0 0 387.776 1.965 20 5 GDBDRN CSCCCC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609853795 652860415 /nfs/dbraw/zinc/86/04/15/652860415.db2.gz MUSJLLPQQCATBJ-UHFFFAOYSA-N 0 0 375.472 1.670 20 5 GDBDRN C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000610300882 652880035 /nfs/dbraw/zinc/88/00/35/652880035.db2.gz JGLWGNJHYODXIT-TXEJJXNPSA-N 0 0 387.483 1.616 20 5 GDBDRN COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000610409328 652883228 /nfs/dbraw/zinc/88/32/28/652883228.db2.gz SZFSYFCYLDFXDW-UFBFGSQYSA-N 0 0 384.332 1.944 20 5 GDBDRN O=C(NC1(CO)CCC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000611246117 652912670 /nfs/dbraw/zinc/91/26/70/652912670.db2.gz SSUDXLDMQGLHDO-UHFFFAOYSA-N 0 0 376.150 1.844 20 5 GDBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](C(=O)N3CCCC3)C2)s1 ZINC000611281205 652913715 /nfs/dbraw/zinc/91/37/15/652913715.db2.gz GINKFPZTVIHJTP-NSHDSACASA-N 0 0 387.483 1.899 20 5 GDBDRN NS(=O)(=O)C[C@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000612289811 652934086 /nfs/dbraw/zinc/93/40/86/652934086.db2.gz HKVUFWFHLGPBLN-SNVBAGLBSA-N 0 0 393.874 1.620 20 5 GDBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCc2cccnc2N2CCOCC2)cs1 ZINC000768806791 654431884 /nfs/dbraw/zinc/43/18/84/654431884.db2.gz YXFARBWPEWLXIN-UHFFFAOYSA-N 0 0 384.439 1.366 20 5 GDBDRN O=C(c1cccnc1)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768818051 654432750 /nfs/dbraw/zinc/43/27/50/654432750.db2.gz WBKTUTYENCEEMI-UHFFFAOYSA-N 0 0 382.423 1.198 20 5 GDBDRN O=C1[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000768826603 654433623 /nfs/dbraw/zinc/43/36/23/654433623.db2.gz GJBSQUISTXRXOD-CYBMUJFWSA-N 0 0 381.435 1.736 20 5 GDBDRN CC(C)[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768830116 654433648 /nfs/dbraw/zinc/43/36/48/654433648.db2.gz AXVCPKKDHOPYOR-GXSJLCMTSA-N 0 0 393.512 1.881 20 5 GDBDRN CCS(=O)(=O)c1ccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768890095 654440804 /nfs/dbraw/zinc/44/08/04/654440804.db2.gz UYZYTEJBHZRRJF-UHFFFAOYSA-N 0 0 390.464 1.928 20 5 GDBDRN NS(=O)(=O)c1ccc(CC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000731706718 654443193 /nfs/dbraw/zinc/44/31/93/654443193.db2.gz OGATXMBEKSGGGS-UHFFFAOYSA-N 0 0 384.391 1.272 20 5 GDBDRN NC(=O)Cn1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n1 ZINC000732036859 654457405 /nfs/dbraw/zinc/45/74/05/654457405.db2.gz XKPIZHCILGMQEP-UHFFFAOYSA-N 0 0 375.313 1.017 20 5 GDBDRN CN(Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000769467955 654465880 /nfs/dbraw/zinc/46/58/80/654465880.db2.gz AZKWDJFIGCYQQB-GFCCVEGCSA-N 0 0 388.262 1.482 20 5 GDBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000769585070 654471138 /nfs/dbraw/zinc/47/11/38/654471138.db2.gz KZSMCSQQIJYXOW-WCQYABFASA-N 0 0 387.483 1.745 20 5 GDBDRN CCOC(=O)[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000769750889 654481109 /nfs/dbraw/zinc/48/11/09/654481109.db2.gz FAGGCBZLRVLHPP-QMMMGPOBSA-N 0 0 395.231 1.835 20 5 GDBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)CN1CCOCC1 ZINC000769906627 654491925 /nfs/dbraw/zinc/49/19/25/654491925.db2.gz LODCKEYGVOTMBL-LLVKDONJSA-N 0 0 391.877 1.803 20 5 GDBDRN CCCNC(=O)NC(=O)COC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770155205 654501855 /nfs/dbraw/zinc/50/18/55/654501855.db2.gz DKIWXFMRIFCPLX-UHFFFAOYSA-N 0 0 388.174 1.750 20 5 GDBDRN CN(C)c1nc(COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)ns1 ZINC000771299676 654534159 /nfs/dbraw/zinc/53/41/59/654534159.db2.gz CQDJKCAKHHOEHN-UHFFFAOYSA-N 0 0 386.411 1.273 20 5 GDBDRN O=C(COC(=O)[C@@H]1CCCCS1(=O)=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000772411536 654561276 /nfs/dbraw/zinc/56/12/76/654561276.db2.gz VOTFCCQOUNEDKL-LBPRGKRZSA-N 0 0 390.801 1.697 20 5 GDBDRN CN(C(=O)COC1CCOCC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000735400699 654561598 /nfs/dbraw/zinc/56/15/98/654561598.db2.gz YRWGZJHSUJAECK-UHFFFAOYSA-N 0 0 392.817 1.591 20 5 GDBDRN O=[N+]([O-])c1ccc2nc(NCCNS(=O)(=O)c3cccnc3)sc2c1 ZINC000772907405 654574325 /nfs/dbraw/zinc/57/43/25/654574325.db2.gz UEWOMFXZAVKWCM-UHFFFAOYSA-N 0 0 379.423 1.990 20 5 GDBDRN CN(CC(=O)NC[C@@H]1CC1(Cl)Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737792071 654629686 /nfs/dbraw/zinc/62/96/86/654629686.db2.gz YNMRKKWFVBVLQC-VIFPVBQESA-N 0 0 396.252 1.525 20 5 GDBDRN CN(C)C(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000774784892 654639390 /nfs/dbraw/zinc/63/93/90/654639390.db2.gz QVNVSDPQFFITGQ-JQWIXIFHSA-N 0 0 391.833 1.162 20 5 GDBDRN CN(CC(=O)OCCOCC(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000774792044 654640178 /nfs/dbraw/zinc/64/01/78/654640178.db2.gz IOZNNMNLZANXBN-UHFFFAOYSA-N 0 0 382.341 1.040 20 5 GDBDRN C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cccs1 ZINC000740173853 654667758 /nfs/dbraw/zinc/66/77/58/654667758.db2.gz BYSZEMJAFLZVHQ-OAHLLOKOSA-N 0 0 384.435 1.697 20 5 GDBDRN NC(=O)c1ccc(SCC(=O)NC[C@H](O)c2ccsc2)c([N+](=O)[O-])c1 ZINC000740126321 654667783 /nfs/dbraw/zinc/66/77/83/654667783.db2.gz WBFLFGGJEDTODE-LBPRGKRZSA-N 0 0 381.435 1.697 20 5 GDBDRN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000775597439 654670100 /nfs/dbraw/zinc/67/01/00/654670100.db2.gz XMHRGWGGPDJGAG-SNVBAGLBSA-N 0 0 377.806 1.262 20 5 GDBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=S)NCC(F)(F)F)CC1 ZINC000740628724 654671223 /nfs/dbraw/zinc/67/12/23/654671223.db2.gz KEKHSQVQLUXOTQ-UHFFFAOYSA-N 0 0 376.360 1.789 20 5 GDBDRN O=C(NCC1(O)CCS(=O)(=O)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741387296 654687922 /nfs/dbraw/zinc/68/79/22/654687922.db2.gz TWHJKXJXPBOMIP-UHFFFAOYSA-N 0 0 377.806 1.309 20 5 GDBDRN CCN(CC)C(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742281761 654699590 /nfs/dbraw/zinc/69/95/90/654699590.db2.gz DVWJOYKLHJKKSR-UHFFFAOYSA-N 0 0 394.247 1.504 20 5 GDBDRN NS(=O)(=O)c1ccc(CC(=O)OCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000742880095 654710767 /nfs/dbraw/zinc/71/07/67/654710767.db2.gz SDDYRRMZNDUPNW-UHFFFAOYSA-N 0 0 386.407 1.468 20 5 GDBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000778010111 654729291 /nfs/dbraw/zinc/72/92/91/654729291.db2.gz RZEJMHNPZZTPGO-SNVBAGLBSA-N 0 0 380.419 1.098 20 5 GDBDRN NS(=O)(=O)N1CCC(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000778333721 654738268 /nfs/dbraw/zinc/73/82/68/654738268.db2.gz FQRHNCFYRFEQQK-UHFFFAOYSA-N 0 0 377.806 1.207 20 5 GDBDRN O=C(CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCc1nccs1 ZINC000747007775 654772597 /nfs/dbraw/zinc/77/25/97/654772597.db2.gz TWYMHZRUOZCGPQ-UHFFFAOYSA-N 0 0 391.814 1.726 20 5 GDBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)c1 ZINC000779909621 654773040 /nfs/dbraw/zinc/77/30/40/654773040.db2.gz 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ZINC000726435511 654852264 /nfs/dbraw/zinc/85/22/64/654852264.db2.gz CFKDCEWAXQIXCX-UHFFFAOYSA-N 0 0 381.439 1.233 20 5 GDBDRN COC(=O)N1CCC[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000726598318 654855657 /nfs/dbraw/zinc/85/56/57/654855657.db2.gz GIIDCNFQFZTUSU-JTQLQIEISA-N 0 0 377.806 1.757 20 5 GDBDRN COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000750965858 654864679 /nfs/dbraw/zinc/86/46/79/654864679.db2.gz PTJYKIQSDUTUOL-SSDOTTSWSA-N 0 0 389.158 1.192 20 5 GDBDRN COCCCn1cnnc1SCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000783713331 654866793 /nfs/dbraw/zinc/86/67/93/654866793.db2.gz TYUYQSANBBNOJT-UHFFFAOYSA-N 0 0 386.455 1.789 20 5 GDBDRN O=C(NC1CC1)N[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000828487700 654868585 /nfs/dbraw/zinc/86/85/85/654868585.db2.gz JOUSGMFDDVFROL-VIFPVBQESA-N 0 0 398.217 1.428 20 5 GDBDRN COC(=O)[C@H](C)OC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000727521483 654874620 /nfs/dbraw/zinc/87/46/20/654874620.db2.gz FHIYAEPIVRWESV-LURJTMIESA-N 0 0 379.106 1.918 20 5 GDBDRN CC[C@@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)C(N)=O ZINC000727520104 654874444 /nfs/dbraw/zinc/87/44/44/654874444.db2.gz CKBZTBNDYYRXME-SECBINFHSA-N 0 0 378.122 1.620 20 5 GDBDRN C[C@@](O)(CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000751390907 654886407 /nfs/dbraw/zinc/88/64/07/654886407.db2.gz IUVKELLQDMCQKJ-GFCCVEGCSA-N 0 0 379.232 1.797 20 5 GDBDRN CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000800669667 654892421 /nfs/dbraw/zinc/89/24/21/654892421.db2.gz GOSWVRPQTNQRSB-BXKDBHETSA-N 0 0 375.834 1.696 20 5 GDBDRN Cc1cc(Br)c(NC(=O)C(=O)NCc2nccn2C)cc1[N+](=O)[O-] ZINC000784705004 654894407 /nfs/dbraw/zinc/89/44/07/654894407.db2.gz WOWSNJWUWNPUKH-UHFFFAOYSA-N 0 0 396.201 1.654 20 5 GDBDRN CO[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000784726858 654895447 /nfs/dbraw/zinc/89/54/47/654895447.db2.gz HDIQNNGIYQUYHN-NSHDSACASA-N 0 0 381.204 1.351 20 5 GDBDRN Cc1cc(Br)c(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000784772886 654897022 /nfs/dbraw/zinc/89/70/22/654897022.db2.gz AVCRKXOJUMGKFX-DTWKUNHWSA-N 0 0 388.218 1.880 20 5 GDBDRN C[C@H](OC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCNC1=O ZINC000751637493 654901410 /nfs/dbraw/zinc/90/14/10/654901410.db2.gz ZFWBLKCBAGQORH-QMMMGPOBSA-N 0 0 387.801 1.824 20 5 GDBDRN C[C@H](OC(=O)C(C)(C)S(C)(=O)=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000785985741 654929871 /nfs/dbraw/zinc/92/98/71/654929871.db2.gz YGBHBXSUSFXSNF-QMMMGPOBSA-N 0 0 376.362 1.427 20 5 GDBDRN COCCCS(=O)(=O)NCCOC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000752554826 654931063 /nfs/dbraw/zinc/93/10/63/654931063.db2.gz PLRIPAGQCASUJG-UHFFFAOYSA-N 0 0 378.378 1.155 20 5 GDBDRN CCN1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1=O ZINC000801714661 654931875 /nfs/dbraw/zinc/93/18/75/654931875.db2.gz WXDQCQRSERBWFG-JTQLQIEISA-N 0 0 392.231 1.256 20 5 GDBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@](F)(CO)C2)c1 ZINC000801715088 654932125 /nfs/dbraw/zinc/93/21/25/654932125.db2.gz NKEGQSITYAACGG-LLVKDONJSA-N 0 0 383.195 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CCn1cc([N+](=O)[O-])c(C(=O)Nc2cn3cc(Br)ncc3n2)n1 ZINC000756748393 655026743 /nfs/dbraw/zinc/02/67/43/655026743.db2.gz DHYIOFJDAYTYAV-UHFFFAOYSA-N 0 0 380.162 1.869 20 5 GDBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)c1nccs1 ZINC000756753146 655026970 /nfs/dbraw/zinc/02/69/70/655026970.db2.gz UXOSCSRJGUJAEO-UHFFFAOYSA-N 0 0 391.377 1.733 20 5 GDBDRN O=C1NC(=O)[C@]2(CCCN(Cc3c(Br)cccc3[N+](=O)[O-])C2)N1 ZINC000789767550 655032407 /nfs/dbraw/zinc/03/24/07/655032407.db2.gz CQURPRXQGLJDPY-CQSZACIVSA-N 0 0 383.202 1.531 20 5 GDBDRN CNC(=O)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000832484633 655032926 /nfs/dbraw/zinc/03/29/26/655032926.db2.gz YHPBUICYNZOGMT-SSDOTTSWSA-N 0 0 380.220 1.160 20 5 GDBDRN CCS(=O)(=O)N1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000757255827 655035859 /nfs/dbraw/zinc/03/58/59/655035859.db2.gz KEANSFDBAISKAX-UHFFFAOYSA-N 0 0 390.849 1.425 20 5 GDBDRN O=C(Nc1cccc([N+](=O)[O-])c1Cl)C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000832613690 655040781 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O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1CC(N2CCOCC2)C1 ZINC000600066210 652525263 /nfs/dbraw/zinc/52/52/63/652525263.db2.gz HTBZESGFRUGGLK-UHFFFAOYSA-N 0 0 398.257 1.879 20 5 GDBDRN C[C@]1(CO)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000600444290 652538887 /nfs/dbraw/zinc/53/88/87/652538887.db2.gz OZXDGBUWUJIYRU-GASCZTMLSA-N 0 0 387.230 1.810 20 5 GDBDRN CNC(=O)NC[C@H]1COCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000602999787 652667436 /nfs/dbraw/zinc/66/74/36/652667436.db2.gz OFXMJIDRKMXODF-LBPRGKRZSA-N 0 0 387.234 1.487 20 5 GDBDRN COCC(COC)S(=O)(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000603298498 652692733 /nfs/dbraw/zinc/69/27/33/652692733.db2.gz BFRLYMSXTOYCOF-CQSZACIVSA-N 0 0 376.456 1.633 20 5 GDBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000610136070 652872885 /nfs/dbraw/zinc/87/28/85/652872885.db2.gz JQJGTIFAGATBSG-GXTWGEPZSA-N 0 0 390.483 1.791 20 5 GDBDRN COc1nc(N2CCN(c3cccnc3[N+](=O)[O-])CC2)ncc1Br ZINC000610573509 652887014 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654540684 /nfs/dbraw/zinc/54/06/84/654540684.db2.gz ANDCXGPTTMJDLL-UHFFFAOYSA-N 0 0 385.423 1.522 20 5 GDBDRN NS(=O)(=O)c1cnn(CCC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000734894794 654543471 /nfs/dbraw/zinc/54/34/71/654543471.db2.gz PAACGUJIIDYKHV-UHFFFAOYSA-N 0 0 388.789 1.226 20 5 GDBDRN CCOC(=O)[C@@](C)(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000774015275 654607551 /nfs/dbraw/zinc/60/75/51/654607551.db2.gz CJFPDLOIBYVEGQ-ZDUSSCGKSA-N 0 0 393.165 1.540 20 5 GDBDRN CCOc1cc(C(=O)O[C@H](C)CCS(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000774825052 654641344 /nfs/dbraw/zinc/64/13/44/654641344.db2.gz QGUNIQNYXWQWKS-SNVBAGLBSA-N 0 0 375.399 1.982 20 5 GDBDRN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N(CCO)[C@H]1CCS(=O)(=O)C1 ZINC000775597438 654670199 /nfs/dbraw/zinc/67/01/99/654670199.db2.gz XMHRGWGGPDJGAG-JTQLQIEISA-N 0 0 377.806 1.262 20 5 GDBDRN C[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCN1S(C)(=O)=O ZINC000776294655 654686522 /nfs/dbraw/zinc/68/65/22/654686522.db2.gz SOCNZKDXXOKPHP-JTQLQIEISA-N 0 0 387.849 1.521 20 5 GDBDRN CCNC(=O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742277649 654699263 /nfs/dbraw/zinc/69/92/63/654699263.db2.gz DUFKUNRPKHTZAA-UHFFFAOYSA-N 0 0 380.220 1.114 20 5 GDBDRN COCCOC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742313685 654702385 /nfs/dbraw/zinc/70/23/85/654702385.db2.gz WTICWXHVVAGQPR-SECBINFHSA-N 0 0 397.247 1.687 20 5 GDBDRN COC(=O)Nc1ccc(S(=O)(=O)NCCc2nccs2)cc1[N+](=O)[O-] ZINC000777919609 654726154 /nfs/dbraw/zinc/72/61/54/654726154.db2.gz JOSDGDZQJAYMRD-UHFFFAOYSA-N 0 0 386.411 1.751 20 5 GDBDRN COc1c(F)cc(S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000778038917 654730181 /nfs/dbraw/zinc/73/01/81/654730181.db2.gz LTNKFVZIILEIQR-UHFFFAOYSA-N 0 0 398.434 1.186 20 5 GDBDRN COc1ccc(CSCC(=O)OC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000778354303 654740049 /nfs/dbraw/zinc/74/00/49/654740049.db2.gz TXLXEEROSJCJAB-GFCCVEGCSA-N 0 0 389.451 1.815 20 5 GDBDRN CNS(=O)(=O)c1csc(C(=O)OCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000778818484 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/nfs/dbraw/zinc/88/83/53/644888353.db2.gz OKVQFNNYCZFEMY-SNVBAGLBSA-N 0 0 392.231 1.256 20 5 GDBDRN CN1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000179813464 644937660 /nfs/dbraw/zinc/93/76/60/644937660.db2.gz QWODJYXYKUFBQE-UHFFFAOYSA-N 0 0 378.248 1.684 20 5 GDBDRN COc1ccc(S(=O)(=O)N2CCN(C/C=C\Cl)CC2)cc1[N+](=O)[O-] ZINC000255833678 645112615 /nfs/dbraw/zinc/11/26/15/645112615.db2.gz XRUVCWINMZTECY-DJWKRKHSSA-N 0 0 375.834 1.662 20 5 GDBDRN CS(=O)(=O)CC1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000292085159 645202311 /nfs/dbraw/zinc/20/23/11/645202311.db2.gz GDMOBYAOZTYAQQ-UHFFFAOYSA-N 0 0 390.483 1.125 20 5 GDBDRN O=C(c1ccc([N+](=O)[O-])s1)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000298064477 645222125 /nfs/dbraw/zinc/22/21/25/645222125.db2.gz AMZHHOKQUXLGIG-GFCCVEGCSA-N 0 0 381.435 1.881 20 5 GDBDRN CCCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000299711524 645231314 /nfs/dbraw/zinc/23/13/14/645231314.db2.gz PZADLGADXCWBMR-ZDUSSCGKSA-N 0 0 387.483 1.835 20 5 GDBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000301140539 645234788 /nfs/dbraw/zinc/23/47/88/645234788.db2.gz HVOMBBBHHPVDAH-NXEZZACHSA-N 0 0 375.834 1.600 20 5 GDBDRN COC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)C(=O)OC ZINC000569537852 651002612 /nfs/dbraw/zinc/00/26/12/651002612.db2.gz WGAGFAUZYOVBEO-NSHDSACASA-N 0 0 394.165 1.477 20 5 GDBDRN Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000330512310 645367634 /nfs/dbraw/zinc/36/76/34/645367634.db2.gz CCVOHYIMNVJGGI-IUCAKERBSA-N 0 0 397.222 1.759 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@H]2CO)c(Br)c1 ZINC000330841297 645427295 /nfs/dbraw/zinc/42/72/95/645427295.db2.gz JQVZJZAURDXARU-SECBINFHSA-N 0 0 397.272 1.456 20 5 GDBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(C(F)(F)F)CCOCC1 ZINC000330878859 645432302 /nfs/dbraw/zinc/43/23/02/645432302.db2.gz XLZHKIIRWDHMKJ-UHFFFAOYSA-N 0 0 384.332 1.993 20 5 GDBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC(=O)N(CC(F)(F)F)C2)c1C ZINC000331126631 645466716 /nfs/dbraw/zinc/46/67/16/645466716.db2.gz RKXNWWFVYMNWQF-UHFFFAOYSA-N 0 0 381.332 1.564 20 5 GDBDRN CCn1cc(S(=O)(=O)N2CCSC[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])n1 ZINC000331645235 645520911 /nfs/dbraw/zinc/52/09/11/645520911.db2.gz QDDHXMSQSRGRRD-LLVKDONJSA-N 0 0 386.459 1.024 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000371401302 645742088 /nfs/dbraw/zinc/74/20/88/645742088.db2.gz NRQWTCKPOWFDLQ-HZMBPMFUSA-N 0 0 376.818 1.865 20 5 GDBDRN CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000570590313 651045951 /nfs/dbraw/zinc/04/59/51/651045951.db2.gz ODIZEUMHNBQHHM-UHFFFAOYSA-N 0 0 381.395 1.922 20 5 GDBDRN CCc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000570628184 651047490 /nfs/dbraw/zinc/04/74/90/651047490.db2.gz MGFPJYLIJIOHFJ-QWHCGFSZSA-N 0 0 390.483 1.791 20 5 GDBDRN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000416309460 645902303 /nfs/dbraw/zinc/90/23/03/645902303.db2.gz NDEHXFUZIQRAAP-WDEREUQCSA-N 0 0 386.246 1.884 20 5 GDBDRN CC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420733288 645957937 /nfs/dbraw/zinc/95/79/37/645957937.db2.gz LSHLHCGPTJLYCA-VIFPVBQESA-N 0 0 381.332 1.513 20 5 GDBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CCc2nnnn2CC1 ZINC000421110336 645980997 /nfs/dbraw/zinc/98/09/97/645980997.db2.gz ODXBKKKFNAUAJK-VIFPVBQESA-N 0 0 396.205 1.870 20 5 GDBDRN CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H](CO)O1 ZINC000421933647 646026315 /nfs/dbraw/zinc/02/63/15/646026315.db2.gz NNPGFHXRVUBEGI-LBPRGKRZSA-N 0 0 387.230 1.898 20 5 GDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCN(C(=O)C2CC2)C1 ZINC000422028062 646033387 /nfs/dbraw/zinc/03/33/87/646033387.db2.gz RNGGTPMHQBEZSP-UHFFFAOYSA-N 0 0 382.214 1.938 20 5 GDBDRN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C(=O)O1 ZINC000917866475 660223138 /nfs/dbraw/zinc/22/31/38/660223138.db2.gz OFGDRDGAMHIICL-HZGVNTEJSA-N 0 0 379.188 1.340 20 5 GDBDRN CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918190588 660231466 /nfs/dbraw/zinc/23/14/66/660231466.db2.gz LKTZCTNVIFHIQJ-JTQLQIEISA-N 0 0 380.419 1.322 20 5 GDBDRN O=[N+]([O-])c1cnc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)s1 ZINC000443407971 647204904 /nfs/dbraw/zinc/20/49/04/647204904.db2.gz ROZYNFMHYYGBOC-UHFFFAOYSA-N 0 0 390.393 1.840 20 5 GDBDRN Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000920001009 660262813 /nfs/dbraw/zinc/26/28/13/660262813.db2.gz QZZKNNXDGJOUAQ-FZMZJTMJSA-N 0 0 390.893 1.469 20 5 GDBDRN COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000443764952 647222650 /nfs/dbraw/zinc/22/26/50/647222650.db2.gz NUGFWJBFPQNDSB-XCBNKYQSSA-N 0 0 399.208 1.199 20 5 GDBDRN O=C(NCc1nc2cc(Br)cnc2[nH]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445005383 647260965 /nfs/dbraw/zinc/26/09/65/647260965.db2.gz LRNVUJGYKZMXGU-UHFFFAOYSA-N 0 0 393.157 1.659 20 5 GDBDRN CC(C)N1C(=O)C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1=O ZINC000446354658 647286771 /nfs/dbraw/zinc/28/67/71/647286771.db2.gz ZOBPHUYIDMTUPM-LBPRGKRZSA-N 0 0 398.213 1.552 20 5 GDBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCNS(=O)(=O)c1cccs1 ZINC000446976498 647302147 /nfs/dbraw/zinc/30/21/47/647302147.db2.gz HWUMLVMTBVCBDF-UHFFFAOYSA-N 0 0 384.439 1.406 20 5 GDBDRN CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000452059743 647307826 /nfs/dbraw/zinc/30/78/26/647307826.db2.gz PERLHVQXNGMICY-SNVBAGLBSA-N 0 0 390.849 1.673 20 5 GDBDRN NC(=O)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000452061777 647308428 /nfs/dbraw/zinc/30/84/28/647308428.db2.gz WHGKNIDDDGBBED-SFYZADRCSA-N 0 0 381.332 1.546 20 5 GDBDRN O=C(/C=C\c1cccs1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000921152489 660282969 /nfs/dbraw/zinc/28/29/69/660282969.db2.gz YAWDXHYBXBDVCS-SREVYHEPSA-N 0 0 381.435 1.764 20 5 GDBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)N(C)C ZINC000461645367 647499662 /nfs/dbraw/zinc/49/96/62/647499662.db2.gz HKFAMBBPJOEKGW-UHFFFAOYSA-N 0 0 389.499 1.964 20 5 GDBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC(S(C)(=O)=O)CC2)cc1C ZINC000462321997 647523026 /nfs/dbraw/zinc/52/30/26/647523026.db2.gz PDGRLXAWBFRDJZ-UHFFFAOYSA-N 0 0 390.483 1.846 20 5 GDBDRN NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462476869 647529559 /nfs/dbraw/zinc/52/95/59/647529559.db2.gz BOMKFZPCYINNIW-SSDOTTSWSA-N 0 0 382.225 1.788 20 5 GDBDRN NS(=O)(=O)c1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])s1 ZINC000465481235 647598637 /nfs/dbraw/zinc/59/86/37/647598637.db2.gz UWINVYGJSXDAEL-UHFFFAOYSA-N 0 0 384.439 1.346 20 5 GDBDRN COC(=O)CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000467056887 647627969 /nfs/dbraw/zinc/62/79/69/647627969.db2.gz JRKUMXIINZCCPD-SNVBAGLBSA-N 0 0 391.471 1.223 20 5 GDBDRN CS(=O)(=O)N1CCCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000467221228 647637236 /nfs/dbraw/zinc/63/72/36/647637236.db2.gz ZUPRNQNOKVPJMN-UHFFFAOYSA-N 0 0 390.849 1.425 20 5 GDBDRN CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467408650 647643062 /nfs/dbraw/zinc/64/30/62/647643062.db2.gz XVOQPVDZTIWHNQ-JTQLQIEISA-N 0 0 379.485 1.507 20 5 GDBDRN COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)[C@H]1C ZINC000468961333 647687337 /nfs/dbraw/zinc/68/73/37/647687337.db2.gz MDMWZOGZGJDLAL-WCBMZHEXSA-N 0 0 376.362 1.315 20 5 GDBDRN CCN(C(=O)COc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000471298987 647745218 /nfs/dbraw/zinc/74/52/18/647745218.db2.gz XFGYYVANIZREFJ-SNVBAGLBSA-N 0 0 376.818 1.663 20 5 GDBDRN O=C(NCCOC(F)(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000475857494 647767048 /nfs/dbraw/zinc/76/70/48/647767048.db2.gz NCSLESHOUZKFOP-QMMMGPOBSA-N 0 0 381.332 1.914 20 5 GDBDRN CCOC(=O)C[C@H]1C[C@H](OC)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000478784086 647817258 /nfs/dbraw/zinc/81/72/58/647817258.db2.gz SPHOSRWHSIDSCZ-MNOVXSKESA-N 0 0 392.455 1.696 20 5 GDBDRN CCOCCOC[C@H](O)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000483040647 647900987 /nfs/dbraw/zinc/90/09/87/647900987.db2.gz HBTLJCRNVVQJRY-LLVKDONJSA-N 0 0 391.218 1.501 20 5 GDBDRN CCS(=O)(=O)NCCCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000486013769 647933357 /nfs/dbraw/zinc/93/33/57/647933357.db2.gz GVEGHZPHGKCBRT-UHFFFAOYSA-N 0 0 391.471 1.385 20 5 GDBDRN CCS(=O)(=O)N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000487222602 647945915 /nfs/dbraw/zinc/94/59/15/647945915.db2.gz APMYXHWGSVEADB-UHFFFAOYSA-N 0 0 384.439 1.938 20 5 GDBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)s1 ZINC000490852668 647990774 /nfs/dbraw/zinc/99/07/74/647990774.db2.gz GGWUKSAHLITXOF-CYZMBNFOSA-N 0 0 390.483 1.816 20 5 GDBDRN CCC[C@H]1SCCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000499044655 648074003 /nfs/dbraw/zinc/07/40/03/648074003.db2.gz ZMQTUNGDGDMNAY-OAHLLOKOSA-N 0 0 387.483 1.917 20 5 GDBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCc1ccccc1Br ZINC000499611995 648085736 /nfs/dbraw/zinc/08/57/36/648085736.db2.gz MXWJCLCMVNJOCT-UHFFFAOYSA-N 0 0 380.198 1.878 20 5 GDBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCNc1ncc(Cl)cc1Cl ZINC000499694530 648089487 /nfs/dbraw/zinc/08/94/87/648089487.db2.gz DPNINHHBGLUDQN-UHFFFAOYSA-N 0 0 386.195 1.687 20 5 GDBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCCCC(N)=O ZINC000510529963 648329653 /nfs/dbraw/zinc/32/96/53/648329653.db2.gz UIVMZBMPDPJSJV-UHFFFAOYSA-N 0 0 391.165 1.503 20 5 GDBDRN O=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000513606676 648436647 /nfs/dbraw/zinc/43/66/47/648436647.db2.gz SMUGVQYAHUXFHU-SNVBAGLBSA-N 0 0 384.439 1.425 20 5 GDBDRN Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000517665496 648573028 /nfs/dbraw/zinc/57/30/28/648573028.db2.gz IIYSLDQDZGHWHK-SNVBAGLBSA-N 0 0 382.427 1.096 20 5 GDBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CS(N)(=O)=O)c1 ZINC000521111493 648653726 /nfs/dbraw/zinc/65/37/26/648653726.db2.gz RARZRFLSASWBLQ-UHFFFAOYSA-N 0 0 385.423 1.493 20 5 GDBDRN CC(=O)NCC[C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000577436652 651729409 /nfs/dbraw/zinc/72/94/09/651729409.db2.gz MAOBLEGTGHDXRG-LLVKDONJSA-N 0 0 375.472 1.802 20 5 GDBDRN CC(C)NS(=O)(=O)NCCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000577617784 651742410 /nfs/dbraw/zinc/74/24/10/651742410.db2.gz NHHMZLSHHJHEPO-GFCCVEGCSA-N 0 0 384.380 1.620 20 5 GDBDRN CCc1ccc(S(=O)(=O)NCCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000578526799 651797682 /nfs/dbraw/zinc/79/76/82/651797682.db2.gz QYAGMXOQFLEGGX-UHFFFAOYSA-N 0 0 382.467 1.980 20 5 GDBDRN CS(=O)(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cn1 ZINC000578812813 651816357 /nfs/dbraw/zinc/81/63/57/651816357.db2.gz VGQYSWHIHHHMJV-UHFFFAOYSA-N 0 0 387.395 1.557 20 5 GDBDRN Cc1c(Br)cc(S(=O)(=O)NC2COCCOC2)cc1[N+](=O)[O-] ZINC000589926769 652121825 /nfs/dbraw/zinc/12/18/25/652121825.db2.gz YSXNZXLXOPPBJS-UHFFFAOYSA-N 0 0 395.231 1.359 20 5 GDBDRN COC(=O)[C@H]1CNCCCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000592389256 652187776 /nfs/dbraw/zinc/18/77/76/652187776.db2.gz WNCWAKUGZQNPSO-CYBMUJFWSA-N 0 0 391.833 1.082 20 5 GDBDRN COC[C@@H]1C[C@@H](O)CN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000593064072 652209167 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CC(C)CC(=O)NCCC(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000824229150 608160274 /nfs/dbraw/zinc/16/02/74/608160274.db2.gz OMIIFEBVQKDTBP-UHFFFAOYSA-N 0 0 395.807 1.919 20 5 GDBDRN O=C1CC[C@@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)CCN12 ZINC000826480093 608237317 /nfs/dbraw/zinc/23/73/17/608237317.db2.gz QXUZTEXJBQGPGG-LLVKDONJSA-N 0 0 380.368 1.134 20 5 GDBDRN COC(=O)C(C)(C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000826098554 608238032 /nfs/dbraw/zinc/23/80/32/608238032.db2.gz IDIGUCQOKUELOT-JTQLQIEISA-N 0 0 375.389 1.586 20 5 GDBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNc1ccc(-c3nn[nH]n3)cn1)CC2 ZINC000826273105 608336544 /nfs/dbraw/zinc/33/65/44/608336544.db2.gz PVWTXALGNQRACG-UHFFFAOYSA-N 0 0 380.368 1.480 20 5 GDBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1ccc(-c2nn[nH]n2)cc1F ZINC000826500273 608340185 /nfs/dbraw/zinc/34/01/85/608340185.db2.gz RFRMOTNJSCMJLH-UHFFFAOYSA-N 0 0 393.356 1.865 20 5 GDBDRN O=[N+]([O-])c1cnc2ccc(N3CCN(c4ccccc4-c4nn[nH]n4)CC3)nn21 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Cc1sc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] ZINC000547347857 650496168 /nfs/dbraw/zinc/49/61/68/650496168.db2.gz WWOJIOIJMAVRCZ-OLZOCXBDSA-N 0 0 389.499 1.886 20 5 GDBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000549985180 650586749 /nfs/dbraw/zinc/58/67/49/650586749.db2.gz YLQDWKKFBRNKNK-CABCVRRESA-N 0 0 390.845 1.847 20 5 GDBDRN O=C(NC[C@@H](O)C(F)F)c1cc(I)cc([N+](=O)[O-])c1 ZINC000551944544 650615950 /nfs/dbraw/zinc/61/59/50/650615950.db2.gz XXPCDICJLCPYKD-MRVPVSSYSA-N 0 0 386.092 1.555 20 5 GDBDRN CC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552396992 650625509 /nfs/dbraw/zinc/62/55/09/650625509.db2.gz MVHJXPLWJHBWHP-NSHDSACASA-N 0 0 387.190 1.066 20 5 GDBDRN CN(CC(=O)N1CCC[C@@H]1C(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000553288040 650641754 /nfs/dbraw/zinc/64/17/54/650641754.db2.gz AYFLFYGIILGMAZ-GFCCVEGCSA-N 0 0 377.369 1.471 20 5 GDBDRN CS(=O)(=O)N1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000553727420 650655042 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O=C1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCN1Cc1cccc(F)c1 ZINC000823536065 599588756 /nfs/dbraw/zinc/58/87/56/599588756.db2.gz QHROLJPEPOGVKA-UHFFFAOYSA-N 0 0 398.358 1.158 20 5 GDBDRN Cc1cccc(NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])c1-c1nn[nH]n1 ZINC000822319085 599598013 /nfs/dbraw/zinc/59/80/13/599598013.db2.gz IMMSIWFTCYWFPF-UHFFFAOYSA-N 0 0 381.352 1.338 20 5 GDBDRN CC(C)Oc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1-c1nn[nH]n1 ZINC000820161053 607407002 /nfs/dbraw/zinc/40/70/02/607407002.db2.gz SPVLADGOSZMAHT-UHFFFAOYSA-N 0 0 386.372 1.787 20 5 GDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000739037842 600065321 /nfs/dbraw/zinc/06/53/21/600065321.db2.gz GPKMEAZUXKFOBU-UHFFFAOYSA-N 0 0 387.396 1.392 20 5 GDBDRN C[C@@H](NC(=O)c1ccc(NCC2([NH+](C)C)CCOCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655101 600282096 /nfs/dbraw/zinc/28/20/96/600282096.db2.gz ASQWAWVBZHWNIF-GFCCVEGCSA-N 0 0 394.428 1.320 20 5 GDBDRN 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377.158 1.747 20 5 GDBDRN Nc1cc([N+](=O)[O-])ccc1C(=O)OCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000822907606 606942414 /nfs/dbraw/zinc/94/24/14/606942414.db2.gz VEDADZLKCSIXIP-UHFFFAOYSA-N 0 0 384.352 1.983 20 5 GDBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)cc(I)c1OCCF ZINC000826497304 607863222 /nfs/dbraw/zinc/86/32/22/607863222.db2.gz BSRUYFQNBAFKCX-UHFFFAOYSA-N 0 0 379.089 1.728 20 5 GDBDRN O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826425910 607863308 /nfs/dbraw/zinc/86/33/08/607863308.db2.gz ZQSUCLDDGHMNJP-UHFFFAOYSA-N 0 0 393.319 1.475 20 5 GDBDRN Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000826272693 607866861 /nfs/dbraw/zinc/86/68/61/607866861.db2.gz WZQHSRHSYFVYNT-UHFFFAOYSA-N 0 0 379.329 1.990 20 5 GDBDRN O=[N+]([O-])c1cccc([C@@H](O)CN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826499532 608071265 /nfs/dbraw/zinc/07/12/65/608071265.db2.gz MMIWZMBZLUSOJW-ZWKOTPCHSA-N 0 0 396.407 1.882 20 5 GDBDRN 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/nfs/dbraw/zinc/92/38/78/654923878.db2.gz GDAOCWKRNIXLCC-LLVKDONJSA-N 0 0 378.834 1.888 20 5 GDBDRN CCOC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CCO1 ZINC000752256299 654924337 /nfs/dbraw/zinc/92/43/37/654924337.db2.gz SDFDWUPWFDNZRW-GFCCVEGCSA-N 0 0 392.817 1.509 20 5 GDBDRN CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CCO1 ZINC000752252680 654924386 /nfs/dbraw/zinc/92/43/86/654924386.db2.gz ALEYCGYONJKFIA-LLVKDONJSA-N 0 0 391.833 1.082 20 5 GDBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)ccc1Cl ZINC000830078636 654929231 /nfs/dbraw/zinc/92/92/31/654929231.db2.gz IGEZESWHXWRNSV-CYBMUJFWSA-N 0 0 394.858 1.446 20 5 GDBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@](F)(CO)C1 ZINC000801714547 654931889 /nfs/dbraw/zinc/93/18/89/654931889.db2.gz CKYRLAHJJHLCSK-GFCCVEGCSA-N 0 0 397.222 1.761 20 5 GDBDRN CSc1ccc(C(=O)OCCN(C)S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000731145959 654943745 /nfs/dbraw/zinc/94/37/45/654943745.db2.gz LXOWRMHXJIWOGK-UHFFFAOYSA-N 0 0 377.444 1.212 20 5 GDBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000802318214 654947485 /nfs/dbraw/zinc/94/74/85/654947485.db2.gz PRSTZKCQAPDQDX-CYBMUJFWSA-N 0 0 396.197 1.369 20 5 GDBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC2CS(=O)(=O)C2)c1 ZINC000786874593 654952383 /nfs/dbraw/zinc/95/23/83/654952383.db2.gz SZHUTGDKTATTSO-UHFFFAOYSA-N 0 0 382.847 1.270 20 5 GDBDRN Cn1cc2cnn(CNNc3cc([N+](=O)[O-])ccc3Br)c(=O)c2n1 ZINC000802741792 654953888 /nfs/dbraw/zinc/95/38/88/654953888.db2.gz TYPUOUZPUKUJKL-UHFFFAOYSA-N 0 0 394.189 1.375 20 5 GDBDRN CN(CC(=O)Nc1cc(C(N)=O)[nH]n1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802770631 654954487 /nfs/dbraw/zinc/95/44/87/654954487.db2.gz VRZMMSABUGQBPS-UHFFFAOYSA-N 0 0 397.189 1.254 20 5 GDBDRN CN(CC(=O)Nc1ccncc1O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802913640 654959654 /nfs/dbraw/zinc/95/96/54/654959654.db2.gz NOZMTWGGQFPKIJ-UHFFFAOYSA-N 0 0 381.186 1.955 20 5 GDBDRN O=[N+]([O-])c1nn(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1Br ZINC000754013914 654962817 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GDBDRN CS(=O)(=O)c1nnc(COC(=O)CCNc2ccccc2[N+](=O)[O-])s1 ZINC000803249460 654970675 /nfs/dbraw/zinc/97/06/75/654970675.db2.gz BLGGIPNHSAMBIU-UHFFFAOYSA-N 0 0 386.411 1.395 20 5 GDBDRN O=C(OCc1nc(-c2nc[nH]n2)no1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000787746579 654971820 /nfs/dbraw/zinc/97/18/20/654971820.db2.gz XVFCTKQVAOQBEW-UHFFFAOYSA-N 0 0 395.129 1.882 20 5 GDBDRN CCc1nnc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[nH]1 ZINC000831656228 654990677 /nfs/dbraw/zinc/99/06/77/654990677.db2.gz YHAMEXDMTYQENM-UHFFFAOYSA-N 0 0 390.219 1.516 20 5 GDBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCn3ccnc32)c1 ZINC000831740766 654995469 /nfs/dbraw/zinc/99/54/69/654995469.db2.gz XUSKWTASBGXVSQ-SNVBAGLBSA-N 0 0 387.215 1.977 20 5 GDBDRN COC[C@@](C)(O)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000831778327 654996849 /nfs/dbraw/zinc/99/68/49/654996849.db2.gz NYUJHBRKPRSQMK-LBPRGKRZSA-N 0 0 387.241 1.967 20 5 GDBDRN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H](C)N1CCO ZINC000832317660 655027400 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ZINC000758778053 655070909 /nfs/dbraw/zinc/07/09/09/655070909.db2.gz QXRIRRLTRBXPRI-UHFFFAOYSA-N 0 0 383.158 1.547 20 5 GDBDRN COC(=O)c1cc(S(=O)(=O)NN=c2[nH]cccc2[N+](=O)[O-])ccc1Cl ZINC000759167022 655078920 /nfs/dbraw/zinc/07/89/20/655078920.db2.gz BNLWLUQLQZYWSH-UHFFFAOYSA-N 0 0 386.773 1.735 20 5 GDBDRN CC(C)NS(=O)(=O)NCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000759533999 655088740 /nfs/dbraw/zinc/08/87/40/655088740.db2.gz ZHRJVTLPHGDBKQ-UHFFFAOYSA-N 0 0 379.826 1.202 20 5 GDBDRN CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=S)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793566856 655119958 /nfs/dbraw/zinc/11/99/58/655119958.db2.gz KCKCQHDJPUPUGN-NSHDSACASA-N 0 0 386.455 1.795 20 5 GDBDRN COC(=O)Cn1cc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000760615009 655120802 /nfs/dbraw/zinc/12/08/02/655120802.db2.gz ALMQAHCYUPXNND-UHFFFAOYSA-N 0 0 375.746 1.385 20 5 GDBDRN O=C(CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OC[C@H]1CCCOC1 ZINC000760736899 655125371 /nfs/dbraw/zinc/12/53/71/655125371.db2.gz 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ZINC000737139596 598248184 /nfs/dbraw/zinc/24/81/84/598248184.db2.gz MJXPCXXPGSCARN-SNVBAGLBSA-N 0 0 396.367 1.396 20 5 GDBDRN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000738102079 598306876 /nfs/dbraw/zinc/30/68/76/598306876.db2.gz MNYGMKONALLOOA-UHFFFAOYSA-N 0 0 387.287 1.752 20 5 GDBDRN Cc1ccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)nn1 ZINC000737350860 598335335 /nfs/dbraw/zinc/33/53/35/598335335.db2.gz IWBBWRRQZOSZJV-GFCCVEGCSA-N 0 0 381.400 1.954 20 5 GDBDRN Cc1noc([C@@H](C)N2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)n1 ZINC000737535145 598336986 /nfs/dbraw/zinc/33/69/86/598336986.db2.gz UIHWJELZESAWHE-SNVBAGLBSA-N 0 0 385.388 1.350 20 5 GDBDRN CN(CCc1ccccn1)C(=O)CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736806316 598458993 /nfs/dbraw/zinc/45/89/93/598458993.db2.gz OWRJZSAAAIRMCH-UHFFFAOYSA-N 0 0 382.384 1.283 20 5 GDBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738138750 598474904 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O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC000738361036 598596210 /nfs/dbraw/zinc/59/62/10/598596210.db2.gz SSYMWAOVBMDSMX-UHFFFAOYSA-N 0 0 379.329 1.823 20 5 GDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738115793 598640760 /nfs/dbraw/zinc/64/07/60/598640760.db2.gz DOUPBWZACSIEHF-UHFFFAOYSA-N 0 0 385.315 1.169 20 5 GDBDRN CC(C)(C(=O)OCc1ccc(F)cc1-c1nn[nH]n1)n1cc([N+](=O)[O-])cn1 ZINC000735582153 598710425 /nfs/dbraw/zinc/71/04/25/598710425.db2.gz GZTBNMGOWJZYCF-UHFFFAOYSA-N 0 0 375.320 1.589 20 5 GDBDRN CN(C[C@@H](O)COCc1ccccc1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736791742 598772911 /nfs/dbraw/zinc/77/29/11/598772911.db2.gz CXAMQTDTMDGGGU-CQSZACIVSA-N 0 0 385.384 1.184 20 5 GDBDRN COC(=O)c1cc(NC(=O)COc2ccccc2-c2nn[nH]n2)cc([N+](=O)[O-])c1 ZINC000736949951 599346113 /nfs/dbraw/zinc/34/61/13/599346113.db2.gz IVIYKYJIPGQFDN-UHFFFAOYSA-N 0 0 398.335 1.579 20 5 GDBDRN O=C(c1cccc(-c2nn[nH]n2)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 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530767808 /nfs/dbraw/zinc/76/78/08/530767808.db2.gz DWZYDTRKVKSPMQ-QMMMGPOBSA-N 0 0 392.231 1.121 20 5 GDBDRN CC(C)N1C(=O)C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1=O ZINC000180581305 530768668 /nfs/dbraw/zinc/76/86/68/530768668.db2.gz JDEKMYCYGKCSDD-SECBINFHSA-N 0 0 384.186 1.623 20 5 GDBDRN CC[C@@H](CO)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000182979890 530808022 /nfs/dbraw/zinc/80/80/22/530808022.db2.gz PSFYGDAKONKNDH-LBPRGKRZSA-N 0 0 375.422 1.120 20 5 GDBDRN CCc1nn(C)c(NCCNS(=O)(=O)c2cc(C)sc2C)c1[N+](=O)[O-] ZINC000091744918 530809974 /nfs/dbraw/zinc/80/99/74/530809974.db2.gz MCMJESGTTMABQG-UHFFFAOYSA-N 0 0 387.487 1.959 20 5 GDBDRN CC(Cl)(Cl)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000183443427 530814923 /nfs/dbraw/zinc/81/49/23/530814923.db2.gz HJVISFSMLQKEGZ-UHFFFAOYSA-N 0 0 396.252 1.622 20 5 GDBDRN CC(C)(CC(N)=O)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000186706994 530860075 /nfs/dbraw/zinc/86/00/75/530860075.db2.gz QRDQPGNMWAJJHC-UHFFFAOYSA-N 0 0 380.220 1.290 20 5 GDBDRN O=C(CSC(F)(F)F)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000109254924 530862707 /nfs/dbraw/zinc/86/27/07/530862707.db2.gz VLRIYEGYCQIBBB-UHFFFAOYSA-N 0 0 387.361 1.242 20 5 GDBDRN O=C(N[C@@]1(CO)CCOC1)c1ccc([N+](=O)[O-])cc1I ZINC000185267972 530839443 /nfs/dbraw/zinc/83/94/43/530839443.db2.gz QABYIYHRQFDVIX-GFCCVEGCSA-N 0 0 392.149 1.081 20 5 GDBDRN O=C(NCCOCC(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000188726884 530899679 /nfs/dbraw/zinc/89/96/79/530899679.db2.gz ZBWZOWZSDMFHBX-VIFPVBQESA-N 0 0 377.369 1.659 20 5 GDBDRN Cc1c(Br)cc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188798587 530900837 /nfs/dbraw/zinc/90/08/37/530900837.db2.gz STSLDVVQFLJPQS-JTQLQIEISA-N 0 0 386.246 1.804 20 5 GDBDRN CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000188897889 530903512 /nfs/dbraw/zinc/90/35/12/530903512.db2.gz XEKAGUHOPHTLRN-GFCCVEGCSA-N 0 0 375.834 1.783 20 5 GDBDRN CCC[C@]1(C)C(=O)NCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000189212983 530909804 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GDBDRN C[C@@H](O)CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190135681 530926284 /nfs/dbraw/zinc/92/62/84/530926284.db2.gz KTKVIHPGXGRMJV-DTWKUNHWSA-N 0 0 376.207 1.953 20 5 GDBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCCn1ccnc1 ZINC000121577139 530958920 /nfs/dbraw/zinc/95/89/20/530958920.db2.gz HLSGZNYYDGJRKR-UHFFFAOYSA-N 0 0 389.231 1.922 20 5 GDBDRN C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000121781804 530962512 /nfs/dbraw/zinc/96/25/12/530962512.db2.gz AKHJZKJAMBGPFZ-QMMMGPOBSA-N 0 0 377.216 1.616 20 5 GDBDRN O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1 ZINC000121865796 530963139 /nfs/dbraw/zinc/96/31/39/530963139.db2.gz UUVWVLXDWNMXAQ-ZYHUDNBSSA-N 0 0 387.845 1.928 20 5 GDBDRN COCCN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1=O ZINC000120820054 530946454 /nfs/dbraw/zinc/94/64/54/530946454.db2.gz OLQUUCMQUKRZJC-UHFFFAOYSA-N 0 0 386.202 1.288 20 5 GDBDRN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000122540498 530973850 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399.245 1.848 20 5 GDBDRN CS(=O)(=O)C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000292329489 531349637 /nfs/dbraw/zinc/34/96/37/531349637.db2.gz UBOGWQCICLZSPO-SNVBAGLBSA-N 0 0 375.834 1.553 20 5 GDBDRN Cc1cc([N+](=O)[O-])cnc1NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000440652366 531342022 /nfs/dbraw/zinc/34/20/22/531342022.db2.gz RYOMDVQZEVVHBQ-UHFFFAOYSA-N 0 0 388.808 2.481 20 5 GDBDRN CNC(=O)CCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000266447780 531346552 /nfs/dbraw/zinc/34/65/52/531346552.db2.gz NKZMCWXLMJVIHL-UHFFFAOYSA-N 0 0 380.220 1.080 20 5 GDBDRN COc1c(F)cc(S(=O)(=O)N2CCC(F)(F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000292278447 531347335 /nfs/dbraw/zinc/34/73/35/531347335.db2.gz XHWGPNIIXRHHRE-MRVPVSSYSA-N 0 0 384.332 1.381 20 5 GDBDRN NS(=O)(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000266720574 531365522 /nfs/dbraw/zinc/36/55/22/531365522.db2.gz LUXZHMIIWUYUJH-UHFFFAOYSA-N 0 0 378.248 1.862 20 5 GDBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(I)c1)S(C)(=O)=O ZINC000278559388 531369090 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ZINC000611109810 531528648 /nfs/dbraw/zinc/52/86/48/531528648.db2.gz HUXBGMOQKIYXJY-JTQLQIEISA-N 0 0 379.232 1.797 20 5 GDBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCS(=O)(=O)CC1 ZINC000364038628 531529519 /nfs/dbraw/zinc/52/95/19/531529519.db2.gz QGOKVTQUXPNZOF-JTQLQIEISA-N 0 0 375.834 1.696 20 5 GDBDRN C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000268564513 531537556 /nfs/dbraw/zinc/53/75/56/531537556.db2.gz PYBOZDBJYKVUEZ-QMMMGPOBSA-N 0 0 390.219 1.316 20 5 GDBDRN O=C(NCC1CCOCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551718305 531544934 /nfs/dbraw/zinc/54/49/34/531544934.db2.gz XIAVBNLJPNOYMX-UHFFFAOYSA-N 0 0 386.202 1.839 20 5 GDBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000491952336 531560359 /nfs/dbraw/zinc/56/03/59/531560359.db2.gz AFCOHTFWHJQRKC-GFCCVEGCSA-N 0 0 387.483 1.846 20 5 GDBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000613527080 531567966 /nfs/dbraw/zinc/56/79/66/531567966.db2.gz 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531527661 /nfs/dbraw/zinc/52/76/61/531527661.db2.gz SEMLFAGRXYPTHH-SECBINFHSA-N 0 0 376.822 1.330 20 5 GDBDRN CCn1cc(S(=O)(=O)N[C@@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])n1 ZINC000611107776 531528612 /nfs/dbraw/zinc/52/86/12/531528612.db2.gz JTQHHCCITHEZOW-LLVKDONJSA-N 0 0 390.487 1.534 20 5 GDBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000268522232 531529977 /nfs/dbraw/zinc/52/99/77/531529977.db2.gz NLQLYOPHPIPFIN-NSHDSACASA-N 0 0 376.456 1.489 20 5 GDBDRN CNS(=O)(=O)C[C@H]1CCCN1c1c(Br)cncc1[N+](=O)[O-] ZINC000611227637 531531450 /nfs/dbraw/zinc/53/14/50/531531450.db2.gz AIJLVQHRZIBWFH-MRVPVSSYSA-N 0 0 379.236 1.270 20 5 GDBDRN Cc1cc(S(=O)(=O)N2CCO[C@@H](COC(C)C)C2)cc([N+](=O)[O-])c1F ZINC000364206552 531545360 /nfs/dbraw/zinc/54/53/60/531545360.db2.gz HOYIXWJUIYRBHG-GFCCVEGCSA-N 0 0 376.406 1.857 20 5 GDBDRN Cc1c(C(=O)NC2CC(C(F)(F)F)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000490953134 531545729 /nfs/dbraw/zinc/54/57/29/531545729.db2.gz GUSUAXLDHXCRGQ-UHFFFAOYSA-N 0 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386.202 1.757 20 5 GDBDRN CCO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000493890592 531581862 /nfs/dbraw/zinc/58/18/62/531581862.db2.gz FUCIQPRASNJWCB-WCQYABFASA-N 0 0 378.378 1.215 20 5 GDBDRN Cc1c(NC(=O)C(=O)NC2(CO)CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000281120791 531583689 /nfs/dbraw/zinc/58/36/89/531583689.db2.gz NUSGNBJFTGTWNL-UHFFFAOYSA-N 0 0 386.202 1.635 20 5 GDBDRN COC(=O)c1ccc(S(=O)(=O)NCCc2csc(C)n2)cc1[N+](=O)[O-] ZINC000416376877 531586485 /nfs/dbraw/zinc/58/64/85/531586485.db2.gz PMIUBWULCIHSAO-UHFFFAOYSA-N 0 0 385.423 1.667 20 5 GDBDRN CC1(C)C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416380450 531589359 /nfs/dbraw/zinc/58/93/59/531589359.db2.gz ARTWTBFPHCRLEC-UHFFFAOYSA-N 0 0 381.332 1.513 20 5 GDBDRN CCC[C@H](O)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000281190939 531591199 /nfs/dbraw/zinc/59/11/99/531591199.db2.gz RHCPRMXYYKZOHB-JTQLQIEISA-N 0 0 388.218 1.881 20 5 GDBDRN COC(=O)c1ccc(S(=O)(=O)N(C)Cc2csc(C)n2)cc1[N+](=O)[O-] ZINC000416393523 531596315 /nfs/dbraw/zinc/59/63/15/531596315.db2.gz SOIMWLUODOSSAN-UHFFFAOYSA-N 0 0 385.423 1.967 20 5 GDBDRN CC[C@H]1C(=O)N(CC)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000494549025 531609969 /nfs/dbraw/zinc/60/99/69/531609969.db2.gz OZIUNQANBPZRFN-NSHDSACASA-N 0 0 375.834 1.880 20 5 GDBDRN CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416418804 531610310 /nfs/dbraw/zinc/61/03/10/531610310.db2.gz QGSJRPMFFWLPDX-QMMMGPOBSA-N 0 0 383.348 1.616 20 5 GDBDRN O=C(CN1CC[C@@](O)(C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451422456 531614047 /nfs/dbraw/zinc/61/40/47/531614047.db2.gz CXHJZNVMFBAYFY-ZDUSSCGKSA-N 0 0 394.172 1.998 20 5 GDBDRN Cc1cc(S(=O)(=O)NCc2nc(C(F)(F)F)n[nH]2)c(C)cc1[N+](=O)[O-] ZINC000416464209 531626906 /nfs/dbraw/zinc/62/69/06/531626906.db2.gz GUQRODKYZDLOCV-UHFFFAOYSA-N 0 0 379.320 1.827 20 5 GDBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281539283 531629679 /nfs/dbraw/zinc/62/96/79/531629679.db2.gz 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387.483 1.616 20 5 GDBDRN COC(=O)C1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000264655022 531195675 /nfs/dbraw/zinc/19/56/75/531195675.db2.gz PSDSQIKALUQWMS-UHFFFAOYSA-N 0 0 378.353 1.981 20 5 GDBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000155171565 531196985 /nfs/dbraw/zinc/19/69/85/531196985.db2.gz CLICRMRAQXRHFV-MRVPVSSYSA-N 0 0 378.204 1.666 20 5 GDBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000264719131 531198787 /nfs/dbraw/zinc/19/87/87/531198787.db2.gz DQRFYHGFXKBTBE-NSHDSACASA-N 0 0 376.866 1.081 20 5 GDBDRN Cc1nn(C)c(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000264868165 531202841 /nfs/dbraw/zinc/20/28/41/531202841.db2.gz UXLJLLGQJOFXFZ-UHFFFAOYSA-N 0 0 385.368 1.610 20 5 GDBDRN CN1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1=O ZINC000155896757 531203200 /nfs/dbraw/zinc/20/32/00/531203200.db2.gz FQDNTVCPFRLYLL-UHFFFAOYSA-N 0 0 389.149 1.114 20 5 GDBDRN O=C(NCCc1nnc[nH]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000156243520 531204495 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GDBDRN O=[N+]([O-])c1ccc(NC[C@H](O)C(F)(F)F)nc1NC[C@H](O)C(F)(F)F ZINC000276595193 531216262 /nfs/dbraw/zinc/21/62/62/531216262.db2.gz QKTLJKJNBQRPFY-BQBZGAKWSA-N 0 0 378.229 1.660 20 5 GDBDRN Cc1ccc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000276580638 531215350 /nfs/dbraw/zinc/21/53/50/531215350.db2.gz BXDCMCVUXPDCLH-NEPJUHHUSA-N 0 0 376.456 1.408 20 5 GDBDRN Nc1nc(NCc2cc(Br)c3c(c2)OCCO3)ncc1[N+](=O)[O-] ZINC000519980155 531222239 /nfs/dbraw/zinc/22/22/39/531222239.db2.gz IXXNOMJQNVSHSJ-UHFFFAOYSA-N 0 0 382.174 1.535 20 5 GDBDRN C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCS1(=O)=O ZINC000408194741 531225204 /nfs/dbraw/zinc/22/52/04/531225204.db2.gz YMLFDTQHDWYWNW-DTWKUNHWSA-N 0 0 382.847 1.444 20 5 GDBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1c[nH]c2ncc(Br)cc12 ZINC000472345445 531226980 /nfs/dbraw/zinc/22/69/80/531226980.db2.gz FEABVPOKNCLDHB-UHFFFAOYSA-N 0 0 379.174 1.860 20 5 GDBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 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C[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000473006752 531246463 /nfs/dbraw/zinc/24/64/63/531246463.db2.gz FDSCAMJLLSHMTM-VXNVDRBHSA-N 0 0 376.150 1.795 20 5 GDBDRN COCC1(O)CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000290810741 531257935 /nfs/dbraw/zinc/25/79/35/531257935.db2.gz SDWZPIZZIWRUKM-UHFFFAOYSA-N 0 0 382.797 1.549 20 5 GDBDRN CN(Cc1cnccn1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000522750899 531258619 /nfs/dbraw/zinc/25/86/19/531258619.db2.gz BOAUNTNNCJNCTL-UHFFFAOYSA-N 0 0 387.215 1.968 20 5 GDBDRN C[C@@H](O)C[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290847134 531260220 /nfs/dbraw/zinc/26/02/20/531260220.db2.gz QUVPXXVMLZXUEQ-DTWKUNHWSA-N 0 0 388.218 1.819 20 5 GDBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CSC[C@@H]2C(=O)N(C)C)cc1SC ZINC000265429513 531252895 /nfs/dbraw/zinc/25/28/95/531252895.db2.gz BPSQZPSYKQNSEC-LLVKDONJSA-N 0 0 385.467 1.929 20 5 GDBDRN Cn1cc([C@@H](O)CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1 ZINC000290738584 531253012 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CS(=O)(=O)NC1(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CCCCC1 ZINC000768806759 654431928 /nfs/dbraw/zinc/43/19/28/654431928.db2.gz XUYLZSDBTOUVBL-UHFFFAOYSA-N 0 0 397.500 1.187 20 5 GDBDRN CN1C(=S)N=NC1[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768829759 654433640 /nfs/dbraw/zinc/43/36/40/654433640.db2.gz BSAASMHSGGFBBV-QMMMGPOBSA-N 0 0 389.484 1.642 20 5 GDBDRN O=C(NCCCNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000768845774 654436042 /nfs/dbraw/zinc/43/60/42/654436042.db2.gz GLTAAYDUUYHEEU-UHFFFAOYSA-N 0 0 385.423 1.460 20 5 GDBDRN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)cs1 ZINC000768848723 654436113 /nfs/dbraw/zinc/43/61/13/654436113.db2.gz PJJQCQXQCOTKDP-MRVPVSSYSA-N 0 0 394.377 1.653 20 5 GDBDRN O=C1NCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1F ZINC000768886827 654440379 /nfs/dbraw/zinc/44/03/79/654440379.db2.gz QFICZIDFINWISO-CYBMUJFWSA-N 0 0 385.398 1.657 20 5 GDBDRN CNS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769534621 654468338 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GDBDRN CS[C@@H]1CC[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000742742482 654709367 /nfs/dbraw/zinc/70/93/67/654709367.db2.gz ICCSRLGMPDBPBE-WCQYABFASA-N 0 0 387.483 1.616 20 5 GDBDRN CNS(=O)(=O)CCCOC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000777083310 654712909 /nfs/dbraw/zinc/71/29/09/654712909.db2.gz WIAYYDBDPNONJY-UHFFFAOYSA-N 0 0 380.806 1.500 20 5 GDBDRN Cc1c(Br)cc(S(=O)(=O)N2CCCNC(=O)C2)cc1[N+](=O)[O-] ZINC000743343127 654715588 /nfs/dbraw/zinc/71/55/88/654715588.db2.gz DWCJHGMJBIWXPG-UHFFFAOYSA-N 0 0 392.231 1.176 20 5 GDBDRN O=C1Nc2ccccc2[C@@]12CCN(S(=O)(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000778092520 654732309 /nfs/dbraw/zinc/73/23/09/654732309.db2.gz UAIRJZPZPBLNTE-HNNXBMFYSA-N 0 0 379.419 1.941 20 5 GDBDRN CSCCCOC(=O)CNS(=O)(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000744621127 654733856 /nfs/dbraw/zinc/73/38/56/654733856.db2.gz QYYXTIBGSPLSEX-UHFFFAOYSA-N 0 0 394.496 1.891 20 5 GDBDRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778286848 654736564 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CC(C)OCCS(=O)(=O)NCC(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000748150503 654800773 /nfs/dbraw/zinc/80/07/73/654800773.db2.gz AQCRWLIHXGVKTI-UHFFFAOYSA-N 0 0 394.833 1.636 20 5 GDBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCC(=O)c1cccc(Br)c1 ZINC000748495658 654806564 /nfs/dbraw/zinc/80/65/64/654806564.db2.gz ADAASAJXQONMGM-UHFFFAOYSA-N 0 0 395.165 1.945 20 5 GDBDRN O=C(Nn1cc(Br)cn1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000782017764 654822699 /nfs/dbraw/zinc/82/26/99/654822699.db2.gz CTDZMBFMFCRXAX-LBPRGKRZSA-N 0 0 380.158 1.817 20 5 GDBDRN CC(C)COC(=O)N1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000749246632 654826177 /nfs/dbraw/zinc/82/61/77/654826177.db2.gz UEPGWRHITOADDT-UHFFFAOYSA-N 0 0 390.238 1.922 20 5 GDBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H](CO)C1CCOCC1 ZINC000782383206 654830335 /nfs/dbraw/zinc/83/03/35/654830335.db2.gz MLCNUGCWTJOEIQ-GFCCVEGCSA-N 0 0 380.369 1.791 20 5 GDBDRN C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000782490671 654833808 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ZINC000430321953 532247281 /nfs/dbraw/zinc/24/72/81/532247281.db2.gz CNJXJNNXDVXATC-JVXZTZIISA-N 0 0 386.202 1.443 20 5 GDBDRN Cc1c(NC(=O)C(=O)N2CCN(C)C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000430352104 532247482 /nfs/dbraw/zinc/24/74/82/532247482.db2.gz LPVIWKUCSREZHZ-VIFPVBQESA-N 0 0 399.245 1.767 20 5 GDBDRN NC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000377339075 532254924 /nfs/dbraw/zinc/25/49/24/532254924.db2.gz GAOLZKODDKURDD-QMMMGPOBSA-N 0 0 381.332 1.500 20 5 GDBDRN COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000275037084 532256291 /nfs/dbraw/zinc/25/62/91/532256291.db2.gz DIVCQBHLJQQIQJ-ZJUUUORDSA-N 0 0 375.403 1.458 20 5 GDBDRN COc1c(F)cc(S(=O)(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000275076159 532261545 /nfs/dbraw/zinc/26/15/45/532261545.db2.gz MDAGYUAYKBMCRA-IUCAKERBSA-N 0 0 398.434 1.185 20 5 GDBDRN COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000378470810 532287962 /nfs/dbraw/zinc/28/79/62/532287962.db2.gz BYHSASWKDURQCA-ZYHUDNBSSA-N 0 0 392.817 1.589 20 5 GDBDRN COc1c(F)cc(S(=O)(=O)NCCCC(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000275380691 532292522 /nfs/dbraw/zinc/29/25/22/532292522.db2.gz MGWCKXRTNLIZJC-UHFFFAOYSA-N 0 0 378.378 1.753 20 5 GDBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)c1 ZINC000288522150 532295006 /nfs/dbraw/zinc/29/50/06/532295006.db2.gz YZOGQVFCNKEYEG-DTWKUNHWSA-N 0 0 382.847 1.268 20 5 GDBDRN COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H](CO)SC)cc1[N+](=O)[O-] ZINC000275432283 532295007 /nfs/dbraw/zinc/29/50/07/532295007.db2.gz RKOYBHSTWGKSQM-PELKAZGASA-N 0 0 393.443 1.164 20 5 GDBDRN COc1ccc(S(=O)(=O)NCC(F)(F)Br)cc1[N+](=O)[O-] ZINC000288630364 532300501 /nfs/dbraw/zinc/30/05/01/532300501.db2.gz ROTGDVWCNYHLHW-UHFFFAOYSA-N 0 0 375.147 1.869 20 5 GDBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1nn(C)cc1Br ZINC000393644899 532300790 /nfs/dbraw/zinc/30/07/90/532300790.db2.gz HWKBXOYUIIGUFB-UHFFFAOYSA-N 0 0 389.231 1.878 20 5 GDBDRN C[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275631366 532303027 /nfs/dbraw/zinc/30/30/27/532303027.db2.gz JLPIFSWAJKMKRR-ZETCQYMHSA-N 0 0 390.219 1.525 20 5 GDBDRN CO[C@@]1(CO)CCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000401949198 532304973 /nfs/dbraw/zinc/30/49/73/532304973.db2.gz KYRJUKSWHHVYKR-AWEZNQCLSA-N 0 0 378.834 1.719 20 5 GDBDRN COCCO[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000275731213 532308030 /nfs/dbraw/zinc/30/80/30/532308030.db2.gz XXCMGGAECLCHFO-LLVKDONJSA-N 0 0 378.834 1.983 20 5 GDBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1 ZINC000289446706 532324558 /nfs/dbraw/zinc/32/45/58/532324558.db2.gz FNLPYBBKOOYRCM-NXEZZACHSA-N 0 0 396.874 1.753 20 5 GDBDRN Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000289452416 532325150 /nfs/dbraw/zinc/32/51/50/532325150.db2.gz GAUXPVXITWTCEL-RKDXNWHRSA-N 0 0 396.874 1.753 20 5 GDBDRN C[C@]1(NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCOC1=O ZINC000289477229 532325428 /nfs/dbraw/zinc/32/54/28/532325428.db2.gz HWPPLVMVUUXNTD-NSHDSACASA-N 0 0 397.178 1.480 20 5 GDBDRN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000289152629 532316758 /nfs/dbraw/zinc/31/67/58/532316758.db2.gz XOANYKMTBWLUDG-LLVKDONJSA-N 0 0 375.834 1.744 20 5 GDBDRN C[C@H](CN1CCCC1=O)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289240213 532319325 /nfs/dbraw/zinc/31/93/25/532319325.db2.gz AATQLRMCRFSATJ-MRVPVSSYSA-N 0 0 379.797 1.677 20 5 GDBDRN CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289320864 532321716 /nfs/dbraw/zinc/32/17/16/532321716.db2.gz BOQBKJFYTHSKFU-VIFPVBQESA-N 0 0 376.822 1.794 20 5 GDBDRN CCN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000289391264 532322905 /nfs/dbraw/zinc/32/29/05/532322905.db2.gz MOSBJJFFDRACJW-GFCCVEGCSA-N 0 0 389.193 1.910 20 5 GDBDRN COCC[C@@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000289411764 532323606 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O=C(CNc1ccc(-c2nn[nH]n2)cc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000737896727 598416362 /nfs/dbraw/zinc/41/63/62/598416362.db2.gz XRSWHMXHHAUPAO-UHFFFAOYSA-N 0 0 382.384 1.415 20 5 GDBDRN O=[N+]([O-])c1cnc(Nc2cccc(CN3CCOCC3)c2)c(-c2nn[nH]n2)c1 ZINC000738374977 598501188 /nfs/dbraw/zinc/50/11/88/598501188.db2.gz WFOUWTZALHQHCM-UHFFFAOYSA-N 0 0 382.384 1.746 20 5 GDBDRN CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000736819201 598589156 /nfs/dbraw/zinc/58/91/56/598589156.db2.gz AKXLOPQOSUWOLF-UHFFFAOYSA-N 0 0 396.363 1.625 20 5 GDBDRN Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)oc1C ZINC000737476124 598809835 /nfs/dbraw/zinc/80/98/35/598809835.db2.gz CVMNVUFDQLHZNG-UHFFFAOYSA-N 0 0 384.400 1.702 20 5 GDBDRN O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4nccn4C3)cc(-c3nn[nH]n3)c2c1 ZINC000738367502 599295539 /nfs/dbraw/zinc/29/55/39/599295539.db2.gz STLXGFGHTLBACU-JTQLQIEISA-N 0 0 377.368 1.947 20 5 GDBDRN C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820438835 599324268 /nfs/dbraw/zinc/32/42/68/599324268.db2.gz XRCZVEQJBCVKLH-NSHDSACASA-N 0 0 388.409 1.956 20 5 GDBDRN C[C@H](O)CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1 ZINC000736145052 599348760 /nfs/dbraw/zinc/34/87/60/599348760.db2.gz ALWVFBHBSOHHHM-JTQLQIEISA-N 0 0 384.352 1.678 20 5 GDBDRN O=[N+]([O-])c1ccc(Sc2nnnn2Cc2ccccc2)c(-c2nn[nH]n2)c1 ZINC000823645531 599353540 /nfs/dbraw/zinc/35/35/40/599353540.db2.gz SYTROJGTTNFHER-UHFFFAOYSA-N 0 0 381.381 1.961 20 5 GDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000823645202 599357267 /nfs/dbraw/zinc/35/72/67/599357267.db2.gz PJAHKOIPWOLATP-UHFFFAOYSA-N 0 0 390.381 1.132 20 5 GDBDRN CCOC(=O)c1ccnc(NCCNc2ccc(-c3nn[nH]n3)cn2)c1[N+](=O)[O-] ZINC000736602080 599520421 /nfs/dbraw/zinc/52/04/21/599520421.db2.gz FLVLKAVVVKZMFL-UHFFFAOYSA-N 0 0 399.371 1.266 20 5 GDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822684607 599651470 /nfs/dbraw/zinc/65/14/70/599651470.db2.gz DRFHBAYVPZSMJA-UHFFFAOYSA-N 0 0 396.323 1.520 20 5 GDBDRN C[C@@H](NC(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655105 600023483 /nfs/dbraw/zinc/02/34/83/600023483.db2.gz AWCVWKGGDNEUIR-OCCSQVGLSA-N 0 0 376.413 1.472 20 5 GDBDRN Cc1c(CC(=O)Nc2nc3n(c2-c2nn[nH]n2)CCS3)cccc1[N+](=O)[O-] ZINC000826236509 607431955 /nfs/dbraw/zinc/43/19/55/607431955.db2.gz PFQRIXIQAFVOBJ-UHFFFAOYSA-N 0 0 386.397 1.567 20 5 GDBDRN C[C@@H](NC(=O)c1ccc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736656402 600791159 /nfs/dbraw/zinc/79/11/59/600791159.db2.gz KKSGGVHRYNJSGV-CHWSQXEVSA-N 0 0 378.429 1.576 20 5 GDBDRN Cn1c(C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000833038665 601734952 /nfs/dbraw/zinc/73/49/52/601734952.db2.gz BGWKSGSQBWJPQU-LJQANCHMSA-N 0 0 386.408 1.783 20 5 GDBDRN CC[NH+](CC)CC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000829671532 602316806 /nfs/dbraw/zinc/31/68/06/602316806.db2.gz DPZFCAIMCALAPN-UHFFFAOYSA-N 0 0 378.429 1.592 20 5 GDBDRN COc1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826199766 607566946 /nfs/dbraw/zinc/56/69/46/607566946.db2.gz LGNKOVOLJSEUQX-UHFFFAOYSA-N 0 0 397.395 1.825 20 5 GDBDRN Cc1cc(OS(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000826271755 607580312 /nfs/dbraw/zinc/58/03/12/607580312.db2.gz FZMSNAUXJSTDKR-UHFFFAOYSA-N 0 0 379.329 1.990 20 5 GDBDRN CN(C)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccccc2-c2nn[nH]n2)c1 ZINC000825880239 607660583 /nfs/dbraw/zinc/66/05/83/607660583.db2.gz ZZCJWFPVGGIGIX-UHFFFAOYSA-N 0 0 390.381 1.609 20 5 GDBDRN O=[N+]([O-])c1ccc2nc(NCc3nncn3C3CC3)cc(-c3nn[nH]n3)c2c1 ZINC000823645484 606125286 /nfs/dbraw/zinc/12/52/86/606125286.db2.gz RCCOKBDJWWONAH-UHFFFAOYSA-N 0 0 378.356 1.862 20 5 GDBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000822213030 606134449 /nfs/dbraw/zinc/13/44/49/606134449.db2.gz RGWDVMJBLDXKDN-UHFFFAOYSA-N 0 0 388.365 1.940 20 5 GDBDRN COC(=O)[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1cccc(-c2nn[nH]n2)c1 ZINC000821644760 606302021 /nfs/dbraw/zinc/30/20/21/606302021.db2.gz IMVLCTCIYRMBIE-MRXNPFEDSA-N 0 0 398.379 1.787 20 5 GDBDRN COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-c2nn[nH]n2)c1 ZINC000821648273 606364597 /nfs/dbraw/zinc/36/45/97/606364597.db2.gz FXNNNELKPZDPSN-GFCCVEGCSA-N 0 0 389.349 1.908 20 5 GDBDRN COC(=O)[C@H](OC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000821650072 606371941 /nfs/dbraw/zinc/37/19/41/606371941.db2.gz JSLMLRVXBURCJP-GFCCVEGCSA-N 0 0 389.349 1.908 20 5 GDBDRN Cc1occc1C(=O)NC1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000822553450 606707487 /nfs/dbraw/zinc/70/74/87/606707487.db2.gz KOTNBMFLTLLMFS-UHFFFAOYSA-N 0 0 398.383 1.470 20 5 GDBDRN O=[N+]([O-])c1ccc2nc(N3CCO[C@@H]([C@H]4CCCO4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823644702 606802757 /nfs/dbraw/zinc/80/27/57/606802757.db2.gz KPTYFWBGBUZVCW-HZPDHXFCSA-N 0 0 397.395 1.707 20 5 GDBDRN O=[N+]([O-])c1cnc(N[C@H]2CCN(c3ncccc3Cl)C2)c(-c2nn[nH]n2)c1 ZINC000823650835 606876981 /nfs/dbraw/zinc/87/69/81/606876981.db2.gz BXPMQWDJWAZLHF-VIFPVBQESA-N 0 0 387.791 1.909 20 5 GDBDRN C[C@@]1(c2ccc(-c3nn[nH]n3)cc2)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000820628820 606904999 /nfs/dbraw/zinc/90/49/99/606904999.db2.gz OPGZFCUMXNFGFN-SFHVURJKSA-N 0 0 393.363 1.742 20 5 GDBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cn1 ZINC000823640221 606963139 /nfs/dbraw/zinc/96/31/39/606963139.db2.gz YANADDCOXNQFQO-UHFFFAOYSA-N 0 0 384.375 1.631 20 5 GDBDRN Cc1nn(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822501114 606984742 /nfs/dbraw/zinc/98/47/42/606984742.db2.gz WNWJLZLJZITROT-UHFFFAOYSA-N 0 0 392.379 1.749 20 5 GDBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2cccc(-c3nn[nH]n3)c2)c1C ZINC000822271265 607001137 /nfs/dbraw/zinc/00/11/37/607001137.db2.gz UGLDABIFHYDGIY-UHFFFAOYSA-N 0 0 388.409 1.870 20 5 GDBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1C ZINC000822270934 607004100 /nfs/dbraw/zinc/00/41/00/607004100.db2.gz DXGRFAGEZXEHPG-UHFFFAOYSA-N 0 0 388.409 1.870 20 5 GDBDRN COc1cc(S(=O)(=O)Oc2cccc(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000821727326 607047921 /nfs/dbraw/zinc/04/79/21/607047921.db2.gz HSXYOPSGORSMSJ-UHFFFAOYSA-N 0 0 377.338 1.551 20 5 GDBDRN Cc1nc(C)n(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4nn[nH]n4)c3)C2)n1 ZINC000826324645 607842024 /nfs/dbraw/zinc/84/20/24/607842024.db2.gz ZMIDGMKDZMDWGQ-CYBMUJFWSA-N 0 0 383.416 1.900 20 5 GDBDRN CN(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[nH]n2)cc1F ZINC000825999220 607848429 /nfs/dbraw/zinc/84/84/29/607848429.db2.gz ROEPCQMVTYZVJF-UHFFFAOYSA-N 0 0 385.315 1.916 20 5 GDBDRN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826411292 607943451 /nfs/dbraw/zinc/94/34/51/607943451.db2.gz SIIFIOGNCOFJOR-UHFFFAOYSA-N 0 0 393.407 1.449 20 5 GDBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000826439686 607979822 /nfs/dbraw/zinc/97/98/22/607979822.db2.gz FUMLHSXPXCKMBL-UHFFFAOYSA-N 0 0 385.359 1.956 20 5 GDBDRN Cn1c(C(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000826355158 608085801 /nfs/dbraw/zinc/08/58/01/608085801.db2.gz MTIVNTMVQJCJRJ-AWEZNQCLSA-N 0 0 383.368 1.327 20 5 GDBDRN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCOc1ccccc1-c1nn[nH]n1 ZINC000826502177 608125468 /nfs/dbraw/zinc/12/54/68/608125468.db2.gz XVZMXETWXAHKBT-UHFFFAOYSA-N 0 0 395.335 1.671 20 5 GDBDRN CC(C)(C)OC(=O)N[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC1 ZINC000824108989 608151846 /nfs/dbraw/zinc/15/18/46/608151846.db2.gz MBOWCYGFVWPZIY-GFCCVEGCSA-N 0 0 390.404 1.885 20 5 GDBDRN CC(C)(C)OC(=O)N[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC1 ZINC000824108990 608152198 /nfs/dbraw/zinc/15/21/98/608152198.db2.gz MBOWCYGFVWPZIY-LBPRGKRZSA-N 0 0 390.404 1.885 20 5 GDBDRN O=C(CCN1CCCC1=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826407231 608161762 /nfs/dbraw/zinc/16/17/62/608161762.db2.gz GBKGOLRZHRSDBU-UHFFFAOYSA-N 0 0 379.764 1.379 20 5 GDBDRN Cn1ccc(C(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)cc1=O ZINC000826362974 608161999 /nfs/dbraw/zinc/16/19/99/608161999.db2.gz QIZYEXJDTPCKGQ-UHFFFAOYSA-N 0 0 375.732 1.379 20 5 GDBDRN CCn1c(NC(=O)c2ccc([N+](=O)[O-])n2C)nc2cc(-c3nn[nH]n3)ccc21 ZINC000825792970 608177068 /nfs/dbraw/zinc/17/70/68/608177068.db2.gz HJMUZTODUFISMC-UHFFFAOYSA-N 0 0 381.356 1.735 20 5 GDBDRN Cc1cc(S(=O)(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc([N+](=O)[O-])c1F ZINC000826272449 608244510 /nfs/dbraw/zinc/24/45/10/608244510.db2.gz KFHMFULLIRFRRH-UHFFFAOYSA-N 0 0 392.372 1.701 20 5 GDBDRN CN(CC(=O)OCCNc1ncccc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000825897524 608274493 /nfs/dbraw/zinc/27/44/93/608274493.db2.gz IOWJMNLLHFULHJ-UHFFFAOYSA-N 0 0 398.383 1.261 20 5 GDBDRN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000825930753 608408449 /nfs/dbraw/zinc/40/84/49/608408449.db2.gz XZIGZTSXAXKTBT-UHFFFAOYSA-N 0 0 386.376 1.177 20 5 GDBDRN C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000824469950 608471121 /nfs/dbraw/zinc/47/11/21/608471121.db2.gz DNKMYRWBSLMVRI-SECBINFHSA-N 0 0 399.342 1.730 20 5 GDBDRN C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824473250 608471285 /nfs/dbraw/zinc/47/12/85/608471285.db2.gz YZRKSCLXQUCHGN-SECBINFHSA-N 0 0 399.342 1.730 20 5 GDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826327638 608480231 /nfs/dbraw/zinc/48/02/31/608480231.db2.gz OSSRAUBIPQGFLE-UHFFFAOYSA-N 0 0 394.395 1.596 20 5 GDBDRN Cc1nn(CN2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000826334651 609533249 /nfs/dbraw/zinc/53/32/49/609533249.db2.gz DDAWMEJEOGIZPV-UHFFFAOYSA-N 0 0 383.416 1.450 20 5 GDBDRN C[C@@H](N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1)C(F)(F)F ZINC000530908542 649984307 /nfs/dbraw/zinc/98/43/07/649984307.db2.gz NTUDGNFFENPFOA-SECBINFHSA-N 0 0 382.364 1.315 20 5 GDBDRN CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000532194688 650018772 /nfs/dbraw/zinc/01/87/72/650018772.db2.gz UMXYYRDAJPXFAN-ZDUSSCGKSA-N 0 0 388.467 1.881 20 5 GDBDRN COCCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000532881567 650037843 /nfs/dbraw/zinc/03/78/43/650037843.db2.gz HVWIDIKGGUAHSD-UHFFFAOYSA-N 0 0 377.850 1.737 20 5 GDBDRN Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000533498251 650055380 /nfs/dbraw/zinc/05/53/80/650055380.db2.gz XPRCFRMPAZEOFF-GFCCVEGCSA-N 0 0 382.419 1.710 20 5 GDBDRN CNS(=O)(=O)c1csc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000534011016 650217288 /nfs/dbraw/zinc/21/72/88/650217288.db2.gz XOASFNVXMIZREY-UHFFFAOYSA-N 0 0 381.395 1.693 20 5 GDBDRN CCn1cc(S(=O)(=O)NCCc2nc3c(s2)CCCC3)c([N+](=O)[O-])n1 ZINC000534851133 650232503 /nfs/dbraw/zinc/23/25/03/650232503.db2.gz NGKYMEAYYKDGGO-UHFFFAOYSA-N 0 0 385.471 1.668 20 5 GDBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1c[nH]cc(Br)c1=O ZINC000535562583 650249671 /nfs/dbraw/zinc/24/96/71/650249671.db2.gz IQMKYHXFJNCVSD-UHFFFAOYSA-N 0 0 395.169 1.414 20 5 GDBDRN 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ZINC000738259907 598982293 /nfs/dbraw/zinc/98/22/93/598982293.db2.gz XJZPXJJJAQTACT-UHFFFAOYSA-N 0 0 380.368 1.132 20 5 GDBDRN Cc1c(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cccc1-c1nn[nH]n1 ZINC000822121815 607257452 /nfs/dbraw/zinc/25/74/52/607257452.db2.gz HEPNINYMEBMDIU-UHFFFAOYSA-N 0 0 397.351 1.863 20 5 GDBDRN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736298950 599039209 /nfs/dbraw/zinc/03/92/09/599039209.db2.gz RISKBLGSGNJDAM-JTQLQIEISA-N 0 0 386.393 1.915 20 5 GDBDRN Cc1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000737238447 599113564 /nfs/dbraw/zinc/11/35/64/599113564.db2.gz NCVCELPBCYYWOK-CQSZACIVSA-N 0 0 382.336 1.467 20 5 GDBDRN CN(CC(=O)Nc1cccc(Cl)c1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821593743 607328511 /nfs/dbraw/zinc/32/85/11/607328511.db2.gz HVLOBWAJPMDCEF-UHFFFAOYSA-N 0 0 388.775 1.898 20 5 GDBDRN Cc1nc(CN2CCC[C@@H](N(C)c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)no1 ZINC000737476197 598545038 /nfs/dbraw/zinc/54/50/38/598545038.db2.gz FTSJLEAIEOPEOF-CYBMUJFWSA-N 0 0 399.415 1.567 20 5 GDBDRN COc1ccc(S(=O)(=O)Oc2ccc(-c3nn[nH]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000737114509 598558579 /nfs/dbraw/zinc/55/85/79/598558579.db2.gz GNOUPTNKIYDKLL-UHFFFAOYSA-N 0 0 395.328 1.690 20 5 GDBDRN O=C(Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737982195 598569479 /nfs/dbraw/zinc/56/94/79/598569479.db2.gz PIPXXAOPWQWTQJ-UHFFFAOYSA-N 0 0 393.319 1.475 20 5 GDBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738087666 598639320 /nfs/dbraw/zinc/63/93/20/598639320.db2.gz KDAINUPGUAWZAL-UHFFFAOYSA-N 0 0 399.342 1.211 20 5 GDBDRN Cc1ccc(N2CCC[C@@H](N(C)c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)nn1 ZINC000737351550 598672411 /nfs/dbraw/zinc/67/24/11/598672411.db2.gz LSIYAKBCASCQIR-CQSZACIVSA-N 0 0 395.427 1.979 20 5 GDBDRN O=C(CCNc1ccccc1[N+](=O)[O-])OCCNc1ncccc1-c1nn[nH]n1 ZINC000737846446 598736046 /nfs/dbraw/zinc/73/60/46/598736046.db2.gz ABXROZOCIMWFLD-UHFFFAOYSA-N 0 0 398.383 1.627 20 5 GDBDRN Cc1c(NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)cccc1[N+](=O)[O-] ZINC000737217970 598779858 /nfs/dbraw/zinc/77/98/58/598779858.db2.gz JBMIAPQJMVYZNE-UHFFFAOYSA-N 0 0 381.352 1.452 20 5 GDBDRN O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000823215398 599424417 /nfs/dbraw/zinc/42/44/17/599424417.db2.gz MACYZGHXSVNHPZ-UHFFFAOYSA-N 0 0 397.395 1.696 20 5 GDBDRN O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3cccnc3)cc(-c3nn[nH]n3)c2c1 ZINC000823645053 607383085 /nfs/dbraw/zinc/38/30/85/607383085.db2.gz MUJATYPWKYDUSM-OAHLLOKOSA-N 0 0 378.352 1.864 20 5 GDBDRN O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000738177644 599579092 /nfs/dbraw/zinc/57/90/92/599579092.db2.gz LDTYTNJBMWHMJC-UHFFFAOYSA-N 0 0 397.399 1.280 20 5 GDBDRN Cn1ccnc1[C@H](O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000822699047 607387840 /nfs/dbraw/zinc/38/78/40/607387840.db2.gz MMCOLEFKIBXGND-OAHLLOKOSA-N 0 0 384.400 1.458 20 5 GDBDRN C[C@H](NC(=O)c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657404 599763644 /nfs/dbraw/zinc/76/36/44/599763644.db2.gz QXLJNXPBTDREMY-ZFWWWQNUSA-N 0 0 390.440 1.862 20 5 GDBDRN CC(C)Oc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1-c1nn[nH]n1 ZINC000820164002 607406783 /nfs/dbraw/zinc/40/67/83/607406783.db2.gz AAAVSLWUOPRNQX-UHFFFAOYSA-N 0 0 399.367 1.363 20 5 GDBDRN O=C([O-])c1cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000738672832 600591722 /nfs/dbraw/zinc/59/17/22/600591722.db2.gz KZQDNTHKSJVOPP-MRXNPFEDSA-N 0 0 377.397 1.666 20 5 GDBDRN CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000737115583 600592883 /nfs/dbraw/zinc/59/28/83/600592883.db2.gz LPANLTYDQVQFPS-ZDUSSCGKSA-N 0 0 378.429 1.296 20 5 GDBDRN O=C([O-])[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000833167096 600745095 /nfs/dbraw/zinc/74/50/95/600745095.db2.gz XNWOPNGCOANWHW-OAHLLOKOSA-N 0 0 397.384 1.428 20 5 GDBDRN COc1ccc(-c2nn[nH]n2)cc1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000826183365 607513726 /nfs/dbraw/zinc/51/37/26/607513726.db2.gz NLHFKWMLGBATKY-UHFFFAOYSA-N 0 0 396.411 1.501 20 5 GDBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739870286 602765560 /nfs/dbraw/zinc/76/55/60/602765560.db2.gz FCRSCWRGZFKPCT-DGCLKSJQSA-N 0 0 380.401 1.910 20 5 GDBDRN Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)c1-c1nn[nH]n1 ZINC000826304781 607589837 /nfs/dbraw/zinc/58/98/37/607589837.db2.gz XWCNEWIKGNVWKF-UHFFFAOYSA-N 0 0 379.329 1.990 20 5 GDBDRN CC(C)[C@@](C)(CNC(=O)[O-])[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000738774912 603137283 /nfs/dbraw/zinc/13/72/83/603137283.db2.gz YTVGIHFQZBJFNL-MRXNPFEDSA-N 0 0 382.373 1.534 20 5 GDBDRN C[C@H](NC(=O)c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703354 604276485 /nfs/dbraw/zinc/27/64/85/604276485.db2.gz LIKIOVXWEHTRPM-QEJZJMRPSA-N 0 0 390.440 1.718 20 5 GDBDRN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000833625606 605093245 /nfs/dbraw/zinc/09/32/45/605093245.db2.gz WTGQBIKDGLIYRP-LRDDRELGSA-N 0 0 390.396 1.095 20 5 GDBDRN CC[N@@H+]1C[C@H](C)N(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000833657729 605119813 /nfs/dbraw/zinc/11/98/13/605119813.db2.gz OMQHWBAZQPLIFQ-FRRDWIJNSA-N 0 0 378.429 1.717 20 5 GDBDRN C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833608912 605394882 /nfs/dbraw/zinc/39/48/82/605394882.db2.gz CKOQOEGJHVLQFT-RYUDHWBXSA-N 0 0 385.442 1.834 20 5 GDBDRN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000834183726 605458669 /nfs/dbraw/zinc/45/86/69/605458669.db2.gz FWLLTCUENDNONY-ODVANORSSA-N 0 0 379.413 1.703 20 5 GDBDRN COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C(=O)[O-])C1 ZINC000833706887 605682877 /nfs/dbraw/zinc/68/28/77/605682877.db2.gz IKSJOMFYBPPKPC-WFASDCNBSA-N 0 0 393.396 1.570 20 5 GDBDRN O=C(NC1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000823154555 606112427 /nfs/dbraw/zinc/11/24/27/606112427.db2.gz GGNHNGKSFLZVHV-UHFFFAOYSA-N 0 0 382.384 1.502 20 5 GDBDRN Cc1nsc(N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)c1-c1nn[nH]n1 ZINC000822530592 606238132 /nfs/dbraw/zinc/23/81/32/606238132.db2.gz IZFXGGTULTWWIP-UHFFFAOYSA-N 0 0 375.370 1.582 20 5 GDBDRN COc1cc(OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2O)ccc1[N+](=O)[O-] ZINC000821727747 606295197 /nfs/dbraw/zinc/29/51/97/606295197.db2.gz NXRVEEIQKFCOKL-UHFFFAOYSA-N 0 0 386.324 1.507 20 5 GDBDRN COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)c1cccc(-c2nn[nH]n2)c1 ZINC000821648321 606362385 /nfs/dbraw/zinc/36/23/85/606362385.db2.gz HAWXDVCTERPCPK-AWEZNQCLSA-N 0 0 398.335 1.428 20 5 GDBDRN Cn1cc(-c2nn[nH]n2)cc1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000822664987 606387997 /nfs/dbraw/zinc/38/79/97/606387997.db2.gz DYFMAQNPBSOMNP-UHFFFAOYSA-N 0 0 396.323 1.520 20 5 GDBDRN Cn1c(C(=O)NC2CCN(c3ccccc3-c3nn[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000822596140 606593294 /nfs/dbraw/zinc/59/32/94/606593294.db2.gz HPMVIGNLWGLAFX-UHFFFAOYSA-N 0 0 396.411 1.512 20 5 GDBDRN C[C@@H](CO[C@H]1CCOC1)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820287870 606634371 /nfs/dbraw/zinc/63/43/71/606634371.db2.gz RLUSHIJOLUBCHF-JQWIXIFHSA-N 0 0 385.384 1.929 20 5 GDBDRN O=C(c1ccccc1)N1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000823493491 606644203 /nfs/dbraw/zinc/64/42/03/606644203.db2.gz OLRJVKKMFZVICV-UHFFFAOYSA-N 0 0 379.380 1.737 20 5 GDBDRN CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000819933531 606644654 /nfs/dbraw/zinc/64/46/54/606644654.db2.gz VHXPVTZSHWZGNI-UHFFFAOYSA-N 0 0 375.389 1.832 20 5 GDBDRN COc1ccc(OC)c([C@@H](O)CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)c1 ZINC000821842100 606644787 /nfs/dbraw/zinc/64/47/87/606644787.db2.gz OKMJWWHUFYNMSM-HNNXBMFYSA-N 0 0 386.368 1.938 20 5 GDBDRN O=C(OCc1ccnc(-c2nn[nH]n2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000823435806 606649194 /nfs/dbraw/zinc/64/91/94/606649194.db2.gz AKHQFXCNFCUGIG-UHFFFAOYSA-N 0 0 392.335 1.713 20 5 GDBDRN CCS(=O)(=O)Nc1ccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000821447779 606699031 /nfs/dbraw/zinc/69/90/31/606699031.db2.gz KWQMWZJYASQHTD-UHFFFAOYSA-N 0 0 390.385 1.675 20 5 GDBDRN O=C(c1ccncc1)N1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000823498742 606703894 /nfs/dbraw/zinc/70/38/94/606703894.db2.gz ZTVIVMXLXHZABS-UHFFFAOYSA-N 0 0 395.383 1.282 20 5 GDBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000823620711 606705829 /nfs/dbraw/zinc/70/58/29/606705829.db2.gz OPWIOAWVQGWXKK-SNVBAGLBSA-N 0 0 385.344 1.008 20 5 GDBDRN COC(=O)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])Cc1cccc(C)c1 ZINC000821640463 606707866 /nfs/dbraw/zinc/70/78/66/606707866.db2.gz IVLCYSMMADULQQ-ZDUSSCGKSA-N 0 0 397.395 1.922 20 5 GDBDRN NC(=O)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000822850789 606708369 /nfs/dbraw/zinc/70/83/69/606708369.db2.gz 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