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)CCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001164706171 719839792 /nfs/dbraw/zinc/83/97/92/719839792.db2.gz WOHUPDAASFHLOF-WMLDXEAASA-N 0 0 380.401 0.461 20 5 GCBDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164702584 719859062 /nfs/dbraw/zinc/85/90/62/719859062.db2.gz ODJGUQKAQDNMFT-PXAZEXFGSA-N 0 0 379.417 0.805 20 5 GCBDRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164702586 719859220 /nfs/dbraw/zinc/85/92/20/719859220.db2.gz ODJGUQKAQDNMFT-SJKOYZFVSA-N 0 0 379.417 0.805 20 5 GCBDRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164702588 719859312 /nfs/dbraw/zinc/85/93/12/719859312.db2.gz ODJGUQKAQDNMFT-YVEFUNNKSA-N 0 0 379.417 0.805 20 5 GCBDRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164702585 719859347 /nfs/dbraw/zinc/85/93/47/719859347.db2.gz ODJGUQKAQDNMFT-SJCJKPOMSA-N 0 0 379.417 0.805 20 5 GCBDRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001164702963 719876224 /nfs/dbraw/zinc/87/62/24/719876224.db2.gz JJDNCWOSPVHZJC-SUMWQHHRSA-N 0 0 379.417 0.926 20 5 GCBDRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164719243 720214861 /nfs/dbraw/zinc/21/48/61/720214861.db2.gz PIOXEWCTJUHBTE-SFHVURJKSA-N 0 0 377.445 0.963 20 5 GCBDRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3C)C2)C1 ZINC001164720325 720216135 /nfs/dbraw/zinc/21/61/35/720216135.db2.gz YKDKECKUJAXMJA-SFHVURJKSA-N 0 0 377.445 0.963 20 5 GCBDRN CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(N)c([N+](=O)[O-])cn3)C2)C1 ZINC001164720703 720260012 /nfs/dbraw/zinc/26/00/12/720260012.db2.gz ZXGCMOHBNUFUKE-QGZVFWFLSA-N 0 0 378.433 0.237 20 5 GCBDRN CNC(=O)CN1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3N)C2)C1 ZINC001164720523 720279792 /nfs/dbraw/zinc/27/97/92/720279792.db2.gz AJJNTNZWNHPRIL-QGZVFWFLSA-N 0 0 378.433 0.237 20 5 GCBDRN COc1cc(OC)nc(CN2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)n1 ZINC001165031011 721845596 /nfs/dbraw/zinc/84/55/96/721845596.db2.gz OLQPNCTXXXKEIX-UHFFFAOYSA-N 0 0 376.373 0.358 20 5 GCBDRN COc1cc(OC)nc(CN2CCN(c3ncnc(OC)c3[N+](=O)[O-])CC2)n1 ZINC001165030099 721848115 /nfs/dbraw/zinc/84/81/15/721848115.db2.gz NXAKYGTYIUZPPB-UHFFFAOYSA-N 0 0 391.388 0.523 20 5 GCBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]21 ZINC001164942336 721935706 /nfs/dbraw/zinc/93/57/06/721935706.db2.gz LRFDIWHXGVCIPF-CVEARBPZSA-N 0 0 375.385 0.923 20 5 GCBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2cccc(-c3nn[nH]n3)n2)c1 ZINC000738370250 945263506 /nfs/dbraw/zinc/26/35/06/945263506.db2.gz SKVXSJDZMGRRBK-UHFFFAOYSA-N 0 0 390.385 0.560 20 5 GCBDRN CC(C)(C)OC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 ZINC000819928771 945313293 /nfs/dbraw/zinc/31/32/93/945313293.db2.gz WOWSZBMIPYTIOT-NSHDSACASA-N 0 0 377.361 0.717 20 5 GCBDRN CC(=O)N(C)CC(=O)N(C)CCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001573389482 947924272 /nfs/dbraw/zinc/92/42/72/947924272.db2.gz ROJSPWYJLXKYLD-UHFFFAOYSA-N 0 0 390.404 0.514 20 5 GCBDRN Cc1onc(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1-c1nn[nH]n1 ZINC000826343887 947998361 /nfs/dbraw/zinc/99/83/61/947998361.db2.gz PYOTZARLCSNOCE-JTQLQIEISA-N 0 0 399.371 0.722 20 5 GCBDRN Cc1onc(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1-c1nn[nH]n1 ZINC000826344968 948015560 /nfs/dbraw/zinc/01/55/60/948015560.db2.gz YIQQEPBBQBUOMF-UHFFFAOYSA-N 0 0 398.383 0.963 20 5 GCBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826396424 948208402 /nfs/dbraw/zinc/20/84/02/948208402.db2.gz XRNVCIAVKQYQIR-UHFFFAOYSA-N 0 0 395.383 0.715 20 5 GCBDRN O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H](O)COc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826500977 948416569 /nfs/dbraw/zinc/41/65/69/948416569.db2.gz UJAYIHBTWXQATQ-OAHLLOKOSA-N 0 0 397.395 0.968 20 5 GCBDRN O=C([O-])C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC001574716554 962727335 /nfs/dbraw/zinc/72/73/35/962727335.db2.gz VDBIOSRMLBYZCG-LBPRGKRZSA-N 0 0 394.384 0.458 20 5 GCBDRN O=C([O-])[C@H]1CCC[N@@H+]1CCOC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001606547906 970327296 /nfs/dbraw/zinc/32/72/96/970327296.db2.gz ZNBKREKZRTZDTI-CYBMUJFWSA-N 0 0 375.341 0.881 20 5 GCBDRN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])N1CC[NH+](C)CC1 ZINC001592722461 979225104 /nfs/dbraw/zinc/22/51/04/979225104.db2.gz MFYXONVPZNATMM-LLVKDONJSA-N 0 0 386.430 0.207 20 5 GCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001595317202 980489383 /nfs/dbraw/zinc/48/93/83/980489383.db2.gz NNOPHVWKBRJLMR-VXGBXAGGSA-N 0 0 382.421 0.302 20 5 GCBDRN CN(C(=O)C[NH2+]C1(C(=O)[O-])CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001598024924 990233554 /nfs/dbraw/zinc/23/35/54/990233554.db2.gz KIXBBENNZHBBRI-UHFFFAOYSA-N 0 0 385.398 0.179 20 5 GCBDRN C[N@@H+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C(=O)[O-])C1 ZINC001598604821 993629952 /nfs/dbraw/zinc/62/99/52/993629952.db2.gz XBKXAYSHFCVWNN-SECBINFHSA-N 0 0 384.776 0.662 20 5 GCBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(CCO)CCOCCO ZINC000600117972 530113477 /nfs/dbraw/zinc/11/34/77/530113477.db2.gz ZFQIOPAFLPUKTH-UHFFFAOYSA-N 0 0 391.218 0.730 20 5 GCBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000609892402 530152777 /nfs/dbraw/zinc/15/27/77/530152777.db2.gz DCOYHGIXKBVNAR-DTWKUNHWSA-N 0 0 376.822 0.995 20 5 GCBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000609892400 530153369 /nfs/dbraw/zinc/15/33/69/530153369.db2.gz DCOYHGIXKBVNAR-BDAKNGLRSA-N 0 0 376.822 0.995 20 5 GCBDRN CCS(=O)(=O)N1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331139312 530153746 /nfs/dbraw/zinc/15/37/46/530153746.db2.gz QTBHWBPYUFTELF-UHFFFAOYSA-N 0 0 377.369 0.909 20 5 GCBDRN NS(=O)(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cc1 ZINC000609905892 530155577 /nfs/dbraw/zinc/15/55/77/530155577.db2.gz FSWPLFNFYJDZEI-UHFFFAOYSA-N 0 0 386.773 0.696 20 5 GCBDRN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000275835627 530114914 /nfs/dbraw/zinc/11/49/14/530114914.db2.gz SZMBYBLHFQWYHJ-GFCCVEGCSA-N 0 0 376.362 0.515 20 5 GCBDRN Cn1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 ZINC000573958677 530115024 /nfs/dbraw/zinc/11/50/24/530115024.db2.gz FJKJGCZVKUCURC-UHFFFAOYSA-N 0 0 385.427 0.537 20 5 GCBDRN NS(=O)(=O)[C@@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000542509602 530116055 /nfs/dbraw/zinc/11/60/55/530116055.db2.gz DVRZPFLPWMANAN-CYBMUJFWSA-N 0 0 377.444 0.121 20 5 GCBDRN Cc1c(C(=O)N[C@@H](C)CCS(C)(=O)=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000475843289 530117341 /nfs/dbraw/zinc/11/73/41/530117341.db2.gz JNKZHEIFQKFLDS-QMMMGPOBSA-N 0 0 393.443 0.104 20 5 GCBDRN CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000025206148 530117418 /nfs/dbraw/zinc/11/74/18/530117418.db2.gz SHYOTIHTFNBPFI-UHFFFAOYSA-N 0 0 376.822 0.812 20 5 GCBDRN Cc1nn(C)c(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1[N+](=O)[O-] ZINC000577640520 530117591 /nfs/dbraw/zinc/11/75/91/530117591.db2.gz GYPFNYRJPJVRNE-SSDOTTSWSA-N 0 0 387.340 0.189 20 5 GCBDRN C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000265640594 530117978 /nfs/dbraw/zinc/11/79/78/530117978.db2.gz UVMWMILPYTWPOJ-MTROIWHKSA-N 0 0 390.439 0.896 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N2CC[C@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000292665261 530118230 /nfs/dbraw/zinc/11/82/30/530118230.db2.gz ORVZFCAKUTYMOM-VIFPVBQESA-N 0 0 396.418 0.798 20 5 GCBDRN CN([C@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000292685830 530118425 /nfs/dbraw/zinc/11/84/25/530118425.db2.gz PWRVDMHRTSTBIX-ZDUSSCGKSA-N 0 0 377.444 0.390 20 5 GCBDRN Cc1c(Cl)cc(S(=O)(=O)NCCCCS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000292715957 530118697 /nfs/dbraw/zinc/11/86/97/530118697.db2.gz FMLKAMZYZHCYLW-UHFFFAOYSA-N 0 0 385.851 0.904 20 5 GCBDRN CCCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000293024650 530120232 /nfs/dbraw/zinc/12/02/32/530120232.db2.gz OYWSQEMEDSACFR-UHFFFAOYSA-N 0 0 392.459 0.146 20 5 GCBDRN CN(C)S(=O)(=O)c1ccc(NCCCCS(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000558951984 530120786 /nfs/dbraw/zinc/12/07/86/530120786.db2.gz NHBGDXJNVRUBDG-UHFFFAOYSA-N 0 0 380.448 0.326 20 5 GCBDRN Cc1nn(C)c(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)c1[N+](=O)[O-] ZINC000598501024 530122772 /nfs/dbraw/zinc/12/27/72/530122772.db2.gz AMEAEPRDIVSTLJ-UHFFFAOYSA-N 0 0 385.427 0.544 20 5 GCBDRN CS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCS2(=O)=O)cc([N+](=O)[O-])c1 ZINC000484065507 530122908 /nfs/dbraw/zinc/12/29/08/530122908.db2.gz FDPYGVWLMBCTIM-LLVKDONJSA-N 0 0 376.412 0.305 20 5 GCBDRN Cc1nnc(CN(C)C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)s1 ZINC000598505419 530123879 /nfs/dbraw/zinc/12/38/79/530123879.db2.gz HWGVMJFSBJHVEX-UHFFFAOYSA-N 0 0 385.427 0.983 20 5 GCBDRN NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000265827636 530124163 /nfs/dbraw/zinc/12/41/63/530124163.db2.gz SDUADCVRYWWMCI-SECBINFHSA-N 0 0 376.822 0.894 20 5 GCBDRN COc1cc(C(=O)NCCS(=O)(=O)NC(C)C)cc([N+](=O)[O-])c1OC ZINC000265852741 530124171 /nfs/dbraw/zinc/12/41/71/530124171.db2.gz AXHBFLDHGCKYOG-UHFFFAOYSA-N 0 0 375.403 0.670 20 5 GCBDRN NS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000265828220 530124200 /nfs/dbraw/zinc/12/42/00/530124200.db2.gz BNLQEKUSQBSVHH-VIFPVBQESA-N 0 0 397.862 0.937 20 5 GCBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC000542746463 530124220 /nfs/dbraw/zinc/12/42/20/530124220.db2.gz RTMRTMWYWNDGGU-NSHDSACASA-N 0 0 391.471 0.866 20 5 GCBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1C ZINC000265892953 530124235 /nfs/dbraw/zinc/12/42/35/530124235.db2.gz ZNSQWOITKAZMAB-GFCCVEGCSA-N 0 0 391.471 0.901 20 5 GCBDRN COc1ccc(CSCC(=O)NC[C@@H](C)S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000542920127 530124519 /nfs/dbraw/zinc/12/45/19/530124519.db2.gz GHYDLKCAVXRHIP-SECBINFHSA-N 0 0 377.444 0.630 20 5 GCBDRN COc1ccc(S(=O)(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000265934592 530124853 /nfs/dbraw/zinc/12/48/53/530124853.db2.gz DWUHQDMBBVYVPG-JTQLQIEISA-N 0 0 393.443 0.293 20 5 GCBDRN NS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000265890858 530125065 /nfs/dbraw/zinc/12/50/65/530125065.db2.gz YOLCVECPVGINQF-GFCCVEGCSA-N 0 0 377.444 0.425 20 5 GCBDRN CCc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000578128936 530125170 /nfs/dbraw/zinc/12/51/70/530125170.db2.gz IYRBCQOHXGMZAT-UHFFFAOYSA-N 0 0 377.444 0.423 20 5 GCBDRN CN(C)S(=O)(=O)[C@@H]1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000286127535 530125956 /nfs/dbraw/zinc/12/59/56/530125956.db2.gz BAFMWHIKJBOTPM-SNVBAGLBSA-N 0 0 392.459 0.102 20 5 GCBDRN Cc1nn(CCC(=O)N2CCSC[C@@H]2S(C)(=O)=O)c(C)c1[N+](=O)[O-] ZINC000266057588 530128519 /nfs/dbraw/zinc/12/85/19/530128519.db2.gz FENACQSQDPWYRB-LBPRGKRZSA-N 0 0 376.460 0.744 20 5 GCBDRN 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CS(=O)(=O)N1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000332369289 530920803 /nfs/dbraw/zinc/92/08/03/530920803.db2.gz VLPVRKGVEWWQPS-UHFFFAOYSA-N 0 0 377.369 0.909 20 5 GCBDRN CS[C@@H](CO)[C@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281160892 530920907 /nfs/dbraw/zinc/92/09/07/530920907.db2.gz IDDFTKNXYHYHFV-ONGXEEELSA-N 0 0 377.444 0.102 20 5 GCBDRN NC(=O)[C@@]1(O)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000502881357 530934435 /nfs/dbraw/zinc/93/44/35/530934435.db2.gz QIADURZATZXRDS-CYBMUJFWSA-N 0 0 387.190 0.218 20 5 GCBDRN Cc1nc(S(=O)(=O)N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cs1 ZINC000470908354 530921468 /nfs/dbraw/zinc/92/14/68/530921468.db2.gz XGRIJRYORHKMDF-UHFFFAOYSA-N 0 0 386.459 0.563 20 5 GCBDRN CCS(=O)(=O)N(C)CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000052104357 530921714 /nfs/dbraw/zinc/92/17/14/530921714.db2.gz JQXUUQGNPXLHAE-UHFFFAOYSA-N 0 0 380.448 0.326 20 5 GCBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@H]1CC[S@@](=O)C1 ZINC000471250034 530922082 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0.550 20 5 GCBDRN C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000474312484 530925335 /nfs/dbraw/zinc/92/53/35/530925335.db2.gz TYBVPFUQVHSEMV-SECBINFHSA-N 0 0 394.427 0.468 20 5 GCBDRN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283185907 530925437 /nfs/dbraw/zinc/92/54/37/530925437.db2.gz LPCGJZLZCBLHTF-UWVGGRQHSA-N 0 0 390.439 0.646 20 5 GCBDRN C[C@H](CCS(C)(=O)=O)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000474547106 530925917 /nfs/dbraw/zinc/92/59/17/530925917.db2.gz MFXGWAMDGOQQEC-SECBINFHSA-N 0 0 389.455 0.725 20 5 GCBDRN CSC[C@@](C)(O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269787854 530927438 /nfs/dbraw/zinc/92/74/38/530927438.db2.gz QDCFPLWVXNOORQ-ZDUSSCGKSA-N 0 0 378.428 0.758 20 5 GCBDRN C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299733540 530928072 /nfs/dbraw/zinc/92/80/72/530928072.db2.gz YSHYUQYFVXXJSD-MRVPVSSYSA-N 0 0 375.790 0.832 20 5 GCBDRN 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392.459 0.149 20 5 GCBDRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000274091227 530825159 /nfs/dbraw/zinc/82/51/59/530825159.db2.gz RRPMVAFIFKEDOB-GFCCVEGCSA-N 0 0 388.423 0.486 20 5 GCBDRN COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000298843726 530846951 /nfs/dbraw/zinc/84/69/51/530846951.db2.gz GULGWJGFVXJZOE-GFCCVEGCSA-N 0 0 392.455 0.727 20 5 GCBDRN COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416579946 530847504 /nfs/dbraw/zinc/84/75/04/530847504.db2.gz ICPODHHZKQZGGP-JTQLQIEISA-N 0 0 391.833 0.974 20 5 GCBDRN COCCN(CCOC)S(=O)(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000298891948 530852546 /nfs/dbraw/zinc/85/25/46/530852546.db2.gz XNRROWZWEYAYET-UHFFFAOYSA-N 0 0 377.419 0.533 20 5 GCBDRN COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000298931203 530855085 /nfs/dbraw/zinc/85/50/85/530855085.db2.gz BOLTYKNGWZSLTM-SNVBAGLBSA-N 0 0 396.418 0.558 20 5 GCBDRN O=C(c1cnsn1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298926513 530855170 /nfs/dbraw/zinc/85/51/70/530855170.db2.gz JXMWGKPQZXTQIA-UHFFFAOYSA-N 0 0 383.411 0.593 20 5 GCBDRN CN(Cc1nnnn1C)c1c(I)cncc1[N+](=O)[O-] ZINC000418884200 530855320 /nfs/dbraw/zinc/85/53/20/530855320.db2.gz NCDZBGCRAOZRGA-UHFFFAOYSA-N 0 0 375.130 0.754 20 5 GCBDRN O=C1NC(=O)[C@@H]2CN(c3c(I)cncc3[N+](=O)[O-])C[C@H]12 ZINC000418981072 530855742 /nfs/dbraw/zinc/85/57/42/530855742.db2.gz BGAWDTHOXMGUSK-OLQVQODUSA-N 0 0 388.121 0.303 20 5 GCBDRN CN(CC1CC1)S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000524120587 530864683 /nfs/dbraw/zinc/86/46/83/530864683.db2.gz OYKILNVIHMWOIA-UHFFFAOYSA-N 0 0 392.459 0.049 20 5 GCBDRN COc1ccc(S(=O)(=O)N2CCSC[C@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000269650092 530866971 /nfs/dbraw/zinc/86/69/71/530866971.db2.gz DHVZZVLOSINLDD-GFCCVEGCSA-N 0 0 396.468 0.712 20 5 GCBDRN NC(=O)[C@]1(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOC1 ZINC000594493621 530867093 /nfs/dbraw/zinc/86/70/93/530867093.db2.gz UHGMXAQITTYTTE-NSHDSACASA-N 0 0 394.203 0.280 20 5 GCBDRN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000278259094 530867584 /nfs/dbraw/zinc/86/75/84/530867584.db2.gz QESJVLLXEZCRRD-UHFFFAOYSA-N 0 0 391.471 0.959 20 5 GCBDRN CN([C@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525189302 530875201 /nfs/dbraw/zinc/87/52/01/530875201.db2.gz XMIIWTZLOGDMIY-QWRGUYRKSA-N 0 0 377.444 0.966 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CCO)CC2)c(Br)c1 ZINC000269675684 530869764 /nfs/dbraw/zinc/86/97/64/530869764.db2.gz QLBLHRSUVDEGCC-UHFFFAOYSA-N 0 0 394.247 0.656 20 5 GCBDRN CC(C)CS(=O)(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420719482 530873209 /nfs/dbraw/zinc/87/32/09/530873209.db2.gz GIXWTZTZNJHONS-UHFFFAOYSA-N 0 0 379.460 0.791 20 5 GCBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC1CCC1 ZINC000420736245 530873233 /nfs/dbraw/zinc/87/32/33/530873233.db2.gz XXZRGMQCZCKSFZ-UHFFFAOYSA-N 0 0 391.471 0.935 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C[C@@H](O)CO)C(C)C 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/nfs/dbraw/zinc/89/90/85/530899085.db2.gz ZCFQSGKVUCJNRA-CYBMUJFWSA-N 0 0 391.471 0.860 20 5 GCBDRN CCn1cc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c([N+](=O)[O-])n1 ZINC000532858961 530899295 /nfs/dbraw/zinc/89/92/95/530899295.db2.gz BVQMXSBBIJOBEG-WDEREUQCSA-N 0 0 394.475 0.788 20 5 GCBDRN COc1ccc(S(=O)(=O)NCC2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 ZINC000533692652 530901559 /nfs/dbraw/zinc/90/15/59/530901559.db2.gz BKWYFEKLVSIZBS-UHFFFAOYSA-N 0 0 378.428 0.707 20 5 GCBDRN CNS(=O)(=O)c1ccc(N2CCC[C@@H](S(=O)(=O)NC)C2)c([N+](=O)[O-])c1 ZINC000377651448 530901570 /nfs/dbraw/zinc/90/15/70/530901570.db2.gz UEWDQSAHUSLUHV-LLVKDONJSA-N 0 0 392.459 0.021 20 5 GCBDRN CC(C)NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000378193014 530903173 /nfs/dbraw/zinc/90/31/73/530903173.db2.gz AILDENTXGCOFIR-NSHDSACASA-N 0 0 377.444 0.686 20 5 GCBDRN Cc1c(NC(=O)C(=O)NCCn2ncnn2)cc(Br)cc1[N+](=O)[O-] ZINC000430320555 530903205 /nfs/dbraw/zinc/90/32/05/530903205.db2.gz AKYXRVQVLYAOHJ-UHFFFAOYSA-N 0 0 398.177 0.407 20 5 GCBDRN CS(=O)(=O)c1ccc(N[C@@H]2CCCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000299258954 530903670 /nfs/dbraw/zinc/90/36/70/530903670.db2.gz SBQNWLOKKCTUGR-SNVBAGLBSA-N 0 0 377.444 0.834 20 5 GCBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000378533062 530903753 /nfs/dbraw/zinc/90/37/53/530903753.db2.gz LHEMPIUPVCNNEI-NSHDSACASA-N 0 0 389.455 0.923 20 5 GCBDRN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000463222493 530904642 /nfs/dbraw/zinc/90/46/42/530904642.db2.gz MHLBOVVEXBLSPK-ZIAGYGMSSA-N 0 0 391.471 0.875 20 5 GCBDRN NS(=O)(=O)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000274405592 530904777 /nfs/dbraw/zinc/90/47/77/530904777.db2.gz UADSCLBQDHULKN-UHFFFAOYSA-N 0 0 376.822 0.295 20 5 GCBDRN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000463221926 530904805 /nfs/dbraw/zinc/90/48/05/530904805.db2.gz MPUODLGXYABUKS-GHMZBOCLSA-N 0 0 377.444 0.734 20 5 GCBDRN COCCOCCOCCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000274387518 530904993 /nfs/dbraw/zinc/90/49/93/530904993.db2.gz JYKMQJOWFRIOEE-UHFFFAOYSA-N 0 0 377.419 0.724 20 5 GCBDRN CCc1n[nH]c(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)c1[N+](=O)[O-] ZINC000274916059 530906511 /nfs/dbraw/zinc/90/65/11/530906511.db2.gz AAERBQSXHNPUDV-JTQLQIEISA-N 0 0 385.471 0.971 20 5 GCBDRN NC(=O)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447025371 530907845 /nfs/dbraw/zinc/90/78/45/530907845.db2.gz CGZZYTFEGZZRAX-UHFFFAOYSA-N 0 0 395.191 0.221 20 5 GCBDRN COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000275338993 530907981 /nfs/dbraw/zinc/90/79/81/530907981.db2.gz DOIOJBGOXMVPFU-MEFFNOMFSA-N 0 0 379.416 0.818 20 5 GCBDRN COC(=O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000275387354 530908631 /nfs/dbraw/zinc/90/86/31/530908631.db2.gz AOJBLOOITHBCOO-CMPLNLGQSA-N 0 0 378.790 0.935 20 5 GCBDRN COC(=O)Nc1ccc(S(=O)(=O)NC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000275490724 530908677 /nfs/dbraw/zinc/90/86/77/530908677.db2.gz YKJGSWGZGAAMDV-ZDUSSCGKSA-N 0 0 375.359 0.203 20 5 GCBDRN COC(=O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000275586990 530909216 /nfs/dbraw/zinc/90/92/16/530909216.db2.gz CZSQWKWZRLDCGE-WDEREUQCSA-N 0 0 378.790 0.935 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N2CCN(C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000275682567 530909553 /nfs/dbraw/zinc/90/95/53/530909553.db2.gz PPQFXZUOZRMYLL-SNVBAGLBSA-N 0 0 377.394 0.430 20 5 GCBDRN Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H](O)CO)cc1[N+](=O)[O-] ZINC000275619557 530909603 /nfs/dbraw/zinc/90/96/03/530909603.db2.gz HWTRLYVRXJWOGG-SSDOTTSWSA-N 0 0 376.163 0.074 20 5 GCBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000276199010 530910447 /nfs/dbraw/zinc/91/04/47/530910447.db2.gz IKSOHYLLBRTDFD-JTQLQIEISA-N 0 0 377.444 0.503 20 5 GCBDRN CCS(=O)(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000299031918 530877893 /nfs/dbraw/zinc/87/78/93/530877893.db2.gz QPCJOXDIWFFQGH-UHFFFAOYSA-N 0 0 395.434 0.826 20 5 GCBDRN C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000276147617 530910576 /nfs/dbraw/zinc/91/05/76/530910576.db2.gz JQLPGOJNQWKJDW-MRVPVSSYSA-N 0 0 375.790 0.832 20 5 GCBDRN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)NC[C@H]1CCCS1(=O)=O ZINC000594763796 530880242 /nfs/dbraw/zinc/88/02/42/530880242.db2.gz AZYTXGHOEYMLLF-SNVBAGLBSA-N 0 0 385.423 0.999 20 5 GCBDRN CC(C)OCCOC[C@@H](O)CN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761165 530880629 /nfs/dbraw/zinc/88/06/29/530880629.db2.gz HDYHVEARZKXVNF-LBPRGKRZSA-N 0 0 377.419 0.413 20 5 GCBDRN C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594760927 530880738 /nfs/dbraw/zinc/88/07/38/530880738.db2.gz VCZAQGGPYFMTOJ-JTQLQIEISA-N 0 0 385.423 0.951 20 5 GCBDRN NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594767725 530880922 /nfs/dbraw/zinc/88/09/22/530880922.db2.gz NOLUJGIWNZKVMN-NSHDSACASA-N 0 0 382.423 0.734 20 5 GCBDRN CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594780277 530882170 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Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC000378445165 1189510019 /nfs/dbraw/zinc/51/00/19/1189510019.db2.gz SIZORVMRMPJGOI-UHFFFAOYSA-N 0 0 399.469 0.751 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000416412503 1189513138 /nfs/dbraw/zinc/51/31/38/1189513138.db2.gz DGGRCOXDFAXEGC-SNVBAGLBSA-N 0 0 385.398 0.658 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000416412502 1189513338 /nfs/dbraw/zinc/51/33/38/1189513338.db2.gz DGGRCOXDFAXEGC-JTQLQIEISA-N 0 0 385.398 0.658 20 5 GCBDRN Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c(C)cc1[N+](=O)[O-] ZINC000416411700 1189513996 /nfs/dbraw/zinc/51/39/96/1189513996.db2.gz AOUZOQGXNJUNGO-BZNIZROVSA-N 0 0 396.425 0.868 20 5 GCBDRN O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000014208594 1189514449 /nfs/dbraw/zinc/51/44/49/1189514449.db2.gz XPAIFXKNLSVXQO-ZDUSSCGKSA-N 0 0 383.426 0.854 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000416418575 1189515166 /nfs/dbraw/zinc/51/51/66/1189515166.db2.gz RNIFKLFGPHVNMW-CMPLNLGQSA-N 0 0 385.398 0.704 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000416418576 1189515276 /nfs/dbraw/zinc/51/52/76/1189515276.db2.gz RNIFKLFGPHVNMW-JQWIXIFHSA-N 0 0 385.398 0.704 20 5 GCBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1COC2(CCOCC2)O1 ZINC000378476130 1189515433 /nfs/dbraw/zinc/51/54/33/1189515433.db2.gz OIPCNMIPAAJBLU-LBPRGKRZSA-N 0 0 393.352 0.541 20 5 GCBDRN COC[C@](C)(NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(=O)OC ZINC000416426485 1189515823 /nfs/dbraw/zinc/51/58/23/1189515823.db2.gz MKUJOUNDODLZFR-AWEZNQCLSA-N 0 0 390.370 0.238 20 5 GCBDRN COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000378487039 1189517740 /nfs/dbraw/zinc/51/77/40/1189517740.db2.gz YADZBKPFSSKXKD-ZWNOBZJWSA-N 0 0 388.398 0.945 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000416471661 1189527984 /nfs/dbraw/zinc/52/79/84/1189527984.db2.gz LHGACEDTTSIXEA-RNCFNFMXSA-N 0 0 385.398 0.656 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000416471663 1189528060 /nfs/dbraw/zinc/52/80/60/1189528060.db2.gz LHGACEDTTSIXEA-TVQRCGJNSA-N 0 0 385.398 0.656 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000416471660 1189528235 /nfs/dbraw/zinc/52/82/35/1189528235.db2.gz LHGACEDTTSIXEA-NOZJJQNGSA-N 0 0 385.398 0.656 20 5 GCBDRN CCCc1n[nH]c(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1[N+](=O)[O-] ZINC000378527665 1189528917 /nfs/dbraw/zinc/52/89/17/1189528917.db2.gz DVMOTVZLHBMYND-UHFFFAOYSA-N 0 0 399.473 0.605 20 5 GCBDRN CCNC(=O)N1CC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000472994638 1189529359 /nfs/dbraw/zinc/52/93/59/1189529359.db2.gz ZJRXHSFKHQJWRV-ZDUSSCGKSA-N 0 0 392.416 0.314 20 5 GCBDRN COC(=O)C1(CS(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC1 ZINC000416493603 1189532755 /nfs/dbraw/zinc/53/27/55/1189532755.db2.gz FPVZQJYGXAWTHE-UHFFFAOYSA-N 0 0 398.441 0.785 20 5 GCBDRN C[C@@H]1CN(S(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@@H](C)CO1 ZINC000416492846 1189533097 /nfs/dbraw/zinc/53/30/97/1189533097.db2.gz BJZKIORDVLSXMO-QWHCGFSZSA-N 0 0 385.446 0.466 20 5 GCBDRN Cc1c(C(=O)N2CC(n3cc([C@H](C)O)nn3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000378547477 1189533612 /nfs/dbraw/zinc/53/36/12/1189533612.db2.gz YIAFGEWGLYAPIP-NSHDSACASA-N 0 0 398.383 0.826 20 5 GCBDRN O=C1[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]2CCCCN12 ZINC000416515807 1189537467 /nfs/dbraw/zinc/53/74/67/1189537467.db2.gz NKNFEEKEPOVRLM-QWRGUYRKSA-N 0 0 397.409 0.798 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)N[C@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000416519866 1189538172 /nfs/dbraw/zinc/53/81/72/1189538172.db2.gz FLDBTJFVNNKRLB-CYBMUJFWSA-N 0 0 388.398 0.447 20 5 GCBDRN CCOC(=O)c1cc(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)cc([N+](=O)[O-])c1C ZINC000416528276 1189541058 /nfs/dbraw/zinc/54/10/58/1189541058.db2.gz HLEXNJNSAAQQOQ-QMTHXVAHSA-N 0 0 388.398 0.054 20 5 GCBDRN C[C@@H]1C[C@H](O)CN1C(=O)c1cc(C(=O)N2C[C@@H](O)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000472999817 1189543126 /nfs/dbraw/zinc/54/31/26/1189543126.db2.gz LNOYZRDLRCIIAQ-XYPYXGAPSA-N 0 0 377.397 0.785 20 5 GCBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H](O)Cn1ccnn1 ZINC000416545273 1189545887 /nfs/dbraw/zinc/54/58/87/1189545887.db2.gz HTCPKMNNCVOAFE-SECBINFHSA-N 0 0 395.319 0.545 20 5 GCBDRN O=C1NC(=O)[C@@]2(CCC[C@H]2CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)N1 ZINC000378603350 1189547573 /nfs/dbraw/zinc/54/75/73/1189547573.db2.gz CMEWXGGQBRGNBN-LRDDRELGSA-N 0 0 396.425 0.435 20 5 GCBDRN COCC(COC)N1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000416566115 1189550887 /nfs/dbraw/zinc/55/08/87/1189550887.db2.gz CGDPYROQBSTLGC-UHFFFAOYSA-N 0 0 387.458 0.704 20 5 GCBDRN O=C(NCc1ccoc1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000378614827 1189550974 /nfs/dbraw/zinc/55/09/74/1189550974.db2.gz FJFFWZJNLJCVLA-JSGCOSHPSA-N 0 0 395.393 0.628 20 5 GCBDRN COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000416575684 1189554424 /nfs/dbraw/zinc/55/44/24/1189554424.db2.gz BNDSUKOMURWFBB-CYBMUJFWSA-N 0 0 385.442 0.937 20 5 GCBDRN C[C@@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000473004751 1189561641 /nfs/dbraw/zinc/56/16/41/1189561641.db2.gz ZOMKKWGUULXLLG-IPYPFGDCSA-N 0 0 397.453 0.977 20 5 GCBDRN C[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000473004753 1189561786 /nfs/dbraw/zinc/56/17/86/1189561786.db2.gz ZOMKKWGUULXLLG-UMVBOHGHSA-N 0 0 397.453 0.977 20 5 GCBDRN C[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000473004754 1189561794 /nfs/dbraw/zinc/56/17/94/1189561794.db2.gz ZOMKKWGUULXLLG-VNHYZAJKSA-N 0 0 397.453 0.977 20 5 GCBDRN 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ZINC000298654518 530806287 /nfs/dbraw/zinc/80/62/87/530806287.db2.gz GGLZZZJBSPXNFE-UHFFFAOYSA-N 0 0 391.471 0.254 20 5 GCBDRN O=[N+]([O-])c1cnn(C[C@H](O)Cn2nnc(-c3ccc(Br)o3)n2)c1 ZINC000295834194 530790958 /nfs/dbraw/zinc/79/09/58/530790958.db2.gz HKQULTCILNGXFM-QMMMGPOBSA-N 0 0 384.150 0.861 20 5 GCBDRN COC(=O)[C@@H](O)CNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000486367755 530794037 /nfs/dbraw/zinc/79/40/37/530794037.db2.gz CSDDLMDQQOQLEU-JTQLQIEISA-N 0 0 397.203 0.478 20 5 GCBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000068938749 530795018 /nfs/dbraw/zinc/79/50/18/530795018.db2.gz HGGVDLSTAUUFCO-UHFFFAOYSA-N 0 0 391.471 0.901 20 5 GCBDRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000274145600 530830364 /nfs/dbraw/zinc/83/03/64/530830364.db2.gz XQPZYECMMPSLED-GFCCVEGCSA-N 0 0 390.801 0.589 20 5 GCBDRN CCS(=O)(=O)CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273401379 530810271 /nfs/dbraw/zinc/81/02/71/530810271.db2.gz PDFQJGFVVCGIAN-UHFFFAOYSA-N 0 0 393.443 0.102 20 5 GCBDRN CNS(=O)(=O)c1ccc(N2CCC[C@H](CS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000298697777 530810543 /nfs/dbraw/zinc/81/05/43/530810543.db2.gz GKWZVCCRDJHLDZ-NSHDSACASA-N 0 0 391.471 0.764 20 5 GCBDRN CCS(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000553883498 530814753 /nfs/dbraw/zinc/81/47/53/530814753.db2.gz OZLGSAXTQKYUCB-SNVBAGLBSA-N 0 0 395.434 0.778 20 5 GCBDRN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273531808 530815335 /nfs/dbraw/zinc/81/53/35/530815335.db2.gz ZEHVAHWPNVRWRY-NXEZZACHSA-N 0 0 392.459 0.372 20 5 GCBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@]1(O)CCSC1 ZINC000273577518 530815995 /nfs/dbraw/zinc/81/59/95/530815995.db2.gz NHLUZHVFMVEMMC-CQSZACIVSA-N 0 0 389.455 0.536 20 5 GCBDRN O=C(NCCCOCCO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273591837 530816040 /nfs/dbraw/zinc/81/60/40/530816040.db2.gz UBVUWTDYKLXMLK-UHFFFAOYSA-N 0 0 375.403 0.067 20 5 GCBDRN COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000275074193 530817745 /nfs/dbraw/zinc/81/77/45/530817745.db2.gz LLVXYEMUPPTPFD-VIFPVBQESA-N 0 0 387.292 0.975 20 5 GCBDRN NS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000273717455 530817779 /nfs/dbraw/zinc/81/77/79/530817779.db2.gz RBXYERIRSZJFKK-LLVKDONJSA-N 0 0 377.444 0.425 20 5 GCBDRN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593599245 530820380 /nfs/dbraw/zinc/82/03/80/530820380.db2.gz RVJYVLQDWAOIJL-ZYHUDNBSSA-N 0 0 392.459 0.376 20 5 GCBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000273994297 530820442 /nfs/dbraw/zinc/82/04/42/530820442.db2.gz CRSPYDZICPTYLZ-NSHDSACASA-N 0 0 378.428 0.801 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N2CCNC(=O)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000275091025 530822038 /nfs/dbraw/zinc/82/20/38/530822038.db2.gz QURRJXIHASCWKY-LBPRGKRZSA-N 0 0 375.378 0.888 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)N[C@H](CCF)C(=O)OC)cc1[N+](=O)[O-] ZINC000593633430 530822515 /nfs/dbraw/zinc/82/25/15/530822515.db2.gz GXWWSTLTDNRQSZ-SNVBAGLBSA-N 0 0 378.334 0.561 20 5 GCBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)c1 ZINC000274038746 530822786 /nfs/dbraw/zinc/82/27/86/530822786.db2.gz XNDCXBSJBYBRBY-UHFFFAOYSA-N 0 0 395.484 0.252 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)NCC[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593661992 530824657 /nfs/dbraw/zinc/82/46/57/530824657.db2.gz YXUNNTMHMJHDAX-AWEZNQCLSA-N 0 0 378.378 0.952 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1Br ZINC000298842791 530846649 /nfs/dbraw/zinc/84/66/49/530846649.db2.gz HWIVYJFPSJZTFY-ZETCQYMHSA-N 0 0 399.244 0.823 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N[C@H](CO)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000416609364 530847292 /nfs/dbraw/zinc/84/72/92/530847292.db2.gz MLOBXXSVTZTVKD-BXKDBHETSA-N 0 0 378.378 0.808 20 5 GCBDRN COCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000298849934 530847664 /nfs/dbraw/zinc/84/76/64/530847664.db2.gz KHEWYIOQEGZGQW-UHFFFAOYSA-N 0 0 375.403 0.329 20 5 GCBDRN COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000416648656 530847782 /nfs/dbraw/zinc/84/77/82/530847782.db2.gz ATYPZPQOLRRAHG-SECBINFHSA-N 0 0 391.427 0.407 20 5 GCBDRN CCS(=O)(=O)CCCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416622702 530847919 /nfs/dbraw/zinc/84/79/19/530847919.db2.gz MWQKTWLNZOOXHZ-UHFFFAOYSA-N 0 0 394.427 0.485 20 5 GCBDRN CCS(=O)(=O)CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000416624350 530848354 /nfs/dbraw/zinc/84/83/54/530848354.db2.gz QCJZBEHZOQMBOE-UHFFFAOYSA-N 0 0 394.427 0.485 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275098795 530848360 /nfs/dbraw/zinc/84/83/60/530848360.db2.gz SPOKTQYWWREVDF-MRVPVSSYSA-N 0 0 382.391 0.550 20 5 GCBDRN CNS(=O)(=O)N1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298896286 530852997 /nfs/dbraw/zinc/85/29/97/530852997.db2.gz KHDFDYDJLIXIDQ-UHFFFAOYSA-N 0 0 378.357 0.295 20 5 GCBDRN COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000298931198 530854998 /nfs/dbraw/zinc/85/49/98/530854998.db2.gz BOLTYKNGWZSLTM-JTQLQIEISA-N 0 0 396.418 0.558 20 5 GCBDRN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000523417271 530856560 /nfs/dbraw/zinc/85/65/60/530856560.db2.gz YEFYTADROOKTFC-UHFFFAOYSA-N 0 0 383.407 0.994 20 5 GCBDRN C[C@](O)(CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000270465400 530862417 /nfs/dbraw/zinc/86/24/17/530862417.db2.gz GMOPTSPNWSMWOQ-NSHDSACASA-N 0 0 386.304 0.958 20 5 GCBDRN CN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000298995713 530868479 /nfs/dbraw/zinc/86/84/79/530868479.db2.gz ZQJVHZUOGIMNOD-SECBINFHSA-N 0 0 375.790 0.832 20 5 GCBDRN CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525186414 530875241 /nfs/dbraw/zinc/87/52/41/530875241.db2.gz HRLIEBHMIGDBCX-SNVBAGLBSA-N 0 0 378.432 0.082 20 5 GCBDRN CCCN(C)S(=O)(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420729786 530872925 /nfs/dbraw/zinc/87/29/25/530872925.db2.gz QTOUDWVSFNUPDV-UHFFFAOYSA-N 0 0 394.475 0.392 20 5 GCBDRN CC(C)N(C[C@H](O)CO)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420769337 530873250 /nfs/dbraw/zinc/87/32/50/530873250.db2.gz PKVXQNVLABDYQG-JTQLQIEISA-N 0 0 376.387 0.118 20 5 GCBDRN COC[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000276517444 530911415 /nfs/dbraw/zinc/91/14/15/530911415.db2.gz FXQJAVJLRCOOFL-QMMMGPOBSA-N 0 0 383.220 0.951 20 5 GCBDRN COC[C@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000276517442 530911462 /nfs/dbraw/zinc/91/14/62/530911462.db2.gz FXQJAVJLRCOOFL-MRVPVSSYSA-N 0 0 383.220 0.951 20 5 GCBDRN O=C(NCCn1ncnn1)c1ccc([N+](=O)[O-])cc1I ZINC000532761057 530899156 /nfs/dbraw/zinc/89/91/56/530899156.db2.gz ULRLAVRZCKFVFE-UHFFFAOYSA-N 0 0 388.125 0.616 20 5 GCBDRN CC(C)NS(=O)(=O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000532764713 530899349 /nfs/dbraw/zinc/89/93/49/530899349.db2.gz UZVQAYZYZLRGOS-JTQLQIEISA-N 0 0 392.459 0.149 20 5 GCBDRN CCn1cc(S(=O)(=O)N2CCN(c3nc(C)ns3)CC2)c([N+](=O)[O-])n1 ZINC000532855295 530899359 /nfs/dbraw/zinc/89/93/59/530899359.db2.gz PMOGUUSBRQHNBS-UHFFFAOYSA-N 0 0 387.447 0.482 20 5 GCBDRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000299243450 530900909 /nfs/dbraw/zinc/90/09/09/530900909.db2.gz YBIRMWVHWVWLON-SNVBAGLBSA-N 0 0 389.817 0.624 20 5 GCBDRN CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443350304 530900896 /nfs/dbraw/zinc/90/08/96/530900896.db2.gz INOOXQOLRWDHKC-GFCCVEGCSA-N 0 0 393.849 0.562 20 5 GCBDRN CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443350310 530900970 /nfs/dbraw/zinc/90/09/70/530900970.db2.gz INOOXQOLRWDHKC-LBPRGKRZSA-N 0 0 393.849 0.562 20 5 GCBDRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000299243447 530901050 /nfs/dbraw/zinc/90/10/50/530901050.db2.gz YBIRMWVHWVWLON-JTQLQIEISA-N 0 0 389.817 0.624 20 5 GCBDRN NS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000533781597 530901398 /nfs/dbraw/zinc/90/13/98/530901398.db2.gz UXWQWQSPPXABEW-SNVBAGLBSA-N 0 0 378.204 0.860 20 5 GCBDRN CNS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000377627027 530901658 /nfs/dbraw/zinc/90/16/58/530901658.db2.gz PVGSQONJGDEWGE-UHFFFAOYSA-N 0 0 397.862 0.951 20 5 GCBDRN CCn1cc(S(=O)(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000533631898 530901717 /nfs/dbraw/zinc/90/17/17/530901717.db2.gz FYFBTQFNUJVGLP-RYUDHWBXSA-N 0 0 375.451 0.589 20 5 GCBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCc1csc(=O)[nH]1 ZINC000534064537 530902264 /nfs/dbraw/zinc/90/22/64/530902264.db2.gz BUDNFDMOWTZYTO-UHFFFAOYSA-N 0 0 386.411 0.742 20 5 GCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000430123174 530902378 /nfs/dbraw/zinc/90/23/78/530902378.db2.gz PFKGTYMEMADEGS-LLVKDONJSA-N 0 0 398.217 0.916 20 5 GCBDRN Cc1c(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2)cc(Br)cc1[N+](=O)[O-] ZINC000430317981 530903099 /nfs/dbraw/zinc/90/30/99/530903099.db2.gz 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CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000271396863 530904909 /nfs/dbraw/zinc/90/49/09/530904909.db2.gz IIAVZEVUGNKUID-UHFFFAOYSA-N 0 0 377.350 0.081 20 5 GCBDRN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000463221928 530904987 /nfs/dbraw/zinc/90/49/87/530904987.db2.gz MPUODLGXYABUKS-QWRGUYRKSA-N 0 0 377.444 0.734 20 5 GCBDRN COc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2(C)C)c([N+](=O)[O-])c1 ZINC000274798382 530905433 /nfs/dbraw/zinc/90/54/33/530905433.db2.gz MUKSGVPGHVNJRL-UHFFFAOYSA-N 0 0 378.428 0.801 20 5 GCBDRN COC(=O)CCN1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000327919648 530905990 /nfs/dbraw/zinc/90/59/90/530905990.db2.gz LGPDEULFZJIRRL-UHFFFAOYSA-N 0 0 375.378 0.603 20 5 GCBDRN O=C1OCCN1c1ccc(S(=O)(=O)NCC(F)(F)CO)cc1[N+](=O)[O-] ZINC000275128971 530907313 /nfs/dbraw/zinc/90/73/13/530907313.db2.gz BJIPPSOHIWDDAJ-UHFFFAOYSA-N 0 0 381.313 0.457 20 5 GCBDRN COC(=O)Nc1ccc(S(=O)(=O)NCC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000275504460 530908490 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ZINC000171320817 1197495137 /nfs/dbraw/zinc/49/51/37/1197495137.db2.gz FKQLQTFRCZOBCW-UHFFFAOYSA-N 0 0 392.460 0.775 20 5 GCBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]1(O)CCOC1 ZINC000270083068 1197508627 /nfs/dbraw/zinc/50/86/27/1197508627.db2.gz LQZMMGCWOBJUFE-PBHICJAKSA-N 0 0 397.453 0.714 20 5 GCBDRN CC[C@@]1(O)CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429747456 1197535671 /nfs/dbraw/zinc/53/56/71/1197535671.db2.gz KPIKPWWTKXZCJF-OAHLLOKOSA-N 0 0 386.430 0.430 20 5 GCBDRN Cc1c(C(=O)NCc2ncnn2C(C)(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000282070705 1197548526 /nfs/dbraw/zinc/54/85/26/1197548526.db2.gz HUZBQMPKGNDKIM-UHFFFAOYSA-N 0 0 396.429 0.827 20 5 GCBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000428604976 1197551462 /nfs/dbraw/zinc/55/14/62/1197551462.db2.gz YFJSPTUMPVMKQS-LLVKDONJSA-N 0 0 386.430 0.418 20 5 GCBDRN Cc1onc(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000455687115 1197566705 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397.203 0.560 20 5 GCBDRN CS(=O)(=O)N1CC(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599782454 530165978 /nfs/dbraw/zinc/16/59/78/530165978.db2.gz DDNSFMMCQHZURC-UHFFFAOYSA-N 0 0 392.231 0.979 20 5 GCBDRN CN(C)S(=O)(=O)N1CC(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000599800536 530166007 /nfs/dbraw/zinc/16/60/07/530166007.db2.gz KLCQDKBEDKYTCC-UHFFFAOYSA-N 0 0 392.825 0.443 20 5 GCBDRN CN(C)S(=O)(=O)NCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599937943 530166769 /nfs/dbraw/zinc/16/67/69/530166769.db2.gz ZGGPUMRRGZDTIR-UHFFFAOYSA-N 0 0 395.235 0.483 20 5 GCBDRN O=[N+]([O-])c1ccc(Cl)cc1N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000286503412 530166775 /nfs/dbraw/zinc/16/67/75/530166775.db2.gz NAIQSMZEVUOTGW-ZIAGYGMSSA-N 0 0 375.834 0.528 20 5 GCBDRN CS(=O)(=O)c1ccc(NCCNS(=O)(=O)c2c[nH]cn2)c([N+](=O)[O-])c1 ZINC000609920844 530169374 /nfs/dbraw/zinc/16/93/74/530169374.db2.gz PJYDFHXZXIZZJV-UHFFFAOYSA-N 0 0 389.415 0.112 20 5 GCBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC1(O)CCS(=O)(=O)CC1 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375.428 0.335 20 5 GCBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)CC1(C)C ZINC000619497514 530934736 /nfs/dbraw/zinc/93/47/36/530934736.db2.gz HDPJRMWJNQDGIN-UHFFFAOYSA-N 0 0 378.428 0.801 20 5 GCBDRN CCOc1cc(C(=O)NCCCS(=O)(=O)NC)c([N+](=O)[O-])cc1OC ZINC000600665094 530931237 /nfs/dbraw/zinc/93/12/37/530931237.db2.gz IJXCDZZCKMCCFL-UHFFFAOYSA-N 0 0 375.403 0.671 20 5 GCBDRN CCc1n[nH]c(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c1[N+](=O)[O-] ZINC000269811195 530931264 /nfs/dbraw/zinc/93/12/64/530931264.db2.gz CJVJMDUPPJHZTL-MRVPVSSYSA-N 0 0 388.427 0.506 20 5 GCBDRN Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000501957906 530932594 /nfs/dbraw/zinc/93/25/94/530932594.db2.gz MLLJOGZWHWEWKM-UHFFFAOYSA-N 0 0 386.411 0.774 20 5 GCBDRN CN(C)S(=O)(=O)c1ccc(NC[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000492632442 530932596 /nfs/dbraw/zinc/93/25/96/530932596.db2.gz USKKITPKTAEGQY-SNVBAGLBSA-N 0 0 377.444 0.692 20 5 GCBDRN O=[N+]([O-])c1cccc(Cl)c1CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000492415915 530932772 /nfs/dbraw/zinc/93/27/72/530932772.db2.gz IGCFVDYRJWEGKQ-LSDHHAIUSA-N 0 0 389.861 0.524 20 5 GCBDRN CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000492632440 530932773 /nfs/dbraw/zinc/93/27/73/530932773.db2.gz USKKITPKTAEGQY-JTQLQIEISA-N 0 0 377.444 0.692 20 5 GCBDRN CN(C)S(=O)(=O)c1ccc(NCCCNS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000492515282 530932818 /nfs/dbraw/zinc/93/28/18/530932818.db2.gz MHGFTUDKYGHEOL-UHFFFAOYSA-N 0 0 380.448 0.196 20 5 GCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000502111013 530932987 /nfs/dbraw/zinc/93/29/87/530932987.db2.gz OISPVSUYCSUABT-JTQLQIEISA-N 0 0 388.427 0.112 20 5 GCBDRN COC(=O)c1nc(N[C@@H]2CCSC2)nc(N[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000596140488 530933258 /nfs/dbraw/zinc/93/32/58/530933258.db2.gz YUJIHVAVOAGOAE-DTWKUNHWSA-N 0 0 385.471 0.850 20 5 GCBDRN CC(C)NS(=O)(=O)NCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000276984400 530911972 /nfs/dbraw/zinc/91/19/72/530911972.db2.gz 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0 0 378.407 0.182 20 5 GCBDRN CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467072129 530914612 /nfs/dbraw/zinc/91/46/12/530914612.db2.gz ABROZCXJYDUPHX-SECBINFHSA-N 0 0 383.473 0.667 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277614636 530914663 /nfs/dbraw/zinc/91/46/63/530914663.db2.gz AXCVBHATQRONSK-SECBINFHSA-N 0 0 396.418 0.798 20 5 GCBDRN CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467398616 530915452 /nfs/dbraw/zinc/91/54/52/530915452.db2.gz KPYQUXYEAXYVQQ-UHFFFAOYSA-N 0 0 383.473 0.621 20 5 GCBDRN Cc1sc(S(=O)(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000467424636 530915486 /nfs/dbraw/zinc/91/54/86/530915486.db2.gz JSSNWKDUXLRCQI-SNVBAGLBSA-N 0 0 397.500 0.915 20 5 GCBDRN CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467413786 530915558 /nfs/dbraw/zinc/91/55/58/530915558.db2.gz YWXINSYOPKFDAO-UHFFFAOYSA-N 0 0 385.489 0.915 20 5 GCBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H](O)C(F)(F)F ZINC000467634322 530915741 /nfs/dbraw/zinc/91/57/41/530915741.db2.gz HVGGCZISRPMSHB-SNVBAGLBSA-N 0 0 385.320 0.303 20 5 GCBDRN C[C@H](C[S@](C)=O)N(C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000468286479 530916608 /nfs/dbraw/zinc/91/66/08/530916608.db2.gz FJLQJVJSLRHCFR-JNDILOIQSA-N 0 0 391.471 0.489 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000278700954 530916945 /nfs/dbraw/zinc/91/69/45/530916945.db2.gz JVUUGCPRDVWYMP-ZDUSSCGKSA-N 0 0 389.455 0.783 20 5 GCBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000278627751 530917016 /nfs/dbraw/zinc/91/70/16/530917016.db2.gz DYGIGBDAUUANAU-CYBMUJFWSA-N 0 0 389.455 0.783 20 5 GCBDRN CCS(=O)(=O)N1CC(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000468729141 530917574 /nfs/dbraw/zinc/91/75/74/530917574.db2.gz NSDZJFHTMFXTQS-UHFFFAOYSA-N 0 0 377.444 0.692 20 5 GCBDRN COCCCN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000468755897 530917676 /nfs/dbraw/zinc/91/76/76/530917676.db2.gz AFPKLWNXYOJYKK-UHFFFAOYSA-N 0 0 376.387 0.401 20 5 GCBDRN COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000274998770 530917852 /nfs/dbraw/zinc/91/78/52/530917852.db2.gz GBQCDFLDQCYUIX-QMMMGPOBSA-N 0 0 393.399 0.239 20 5 GCBDRN CCN(CC)S(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000468990130 530918237 /nfs/dbraw/zinc/91/82/37/530918237.db2.gz ODWBPESDSFCAKT-UHFFFAOYSA-N 0 0 395.459 0.553 20 5 GCBDRN COCCOC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469161460 530918283 /nfs/dbraw/zinc/91/82/83/530918283.db2.gz GCYDHNCHOUEGLR-JTQLQIEISA-N 0 0 376.387 0.711 20 5 GCBDRN CCS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000331141748 530918406 /nfs/dbraw/zinc/91/84/06/530918406.db2.gz UMHRABBXBUJYME-UHFFFAOYSA-N 0 0 391.471 0.868 20 5 GCBDRN CS(=O)(=O)N1CCN(CC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000469351768 530918965 /nfs/dbraw/zinc/91/89/65/530918965.db2.gz VALDRXOBVOOTPJ-UHFFFAOYSA-N 0 0 390.849 0.442 20 5 GCBDRN Cc1c(C(=O)N2CC(OCC(F)F)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000443579898 530918966 /nfs/dbraw/zinc/91/89/66/530918966.db2.gz RNBVYADRNRDTTP-UHFFFAOYSA-N 0 0 379.341 0.657 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000469353687 530919051 /nfs/dbraw/zinc/91/90/51/530919051.db2.gz FPGVJYULBFIMOM-SNVBAGLBSA-N 0 0 386.304 0.925 20 5 GCBDRN CO[C@H](C)CS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000331287539 530919143 /nfs/dbraw/zinc/91/91/43/530919143.db2.gz UVINCNKELJYODS-SNVBAGLBSA-N 0 0 377.444 0.779 20 5 GCBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000331414391 530919211 /nfs/dbraw/zinc/91/92/11/530919211.db2.gz KBVKHUMTHDHECK-JTQLQIEISA-N 0 0 387.439 0.518 20 5 GCBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000391695399 530919569 /nfs/dbraw/zinc/91/95/69/530919569.db2.gz PBXVEWULQMOLGZ-UHFFFAOYSA-N 0 0 398.850 0.066 20 5 GCBDRN COC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1I 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AEEXNZBMQLVOAU-AWEZNQCLSA-N 0 0 378.429 0.894 20 5 GCBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000279043285 1192443962 /nfs/dbraw/zinc/44/39/62/1192443962.db2.gz BVCAUBSFMQAZAZ-KBPBESRZSA-N 0 0 378.429 0.892 20 5 GCBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N[C@H](CC(C)C)C(=O)OC)c1 ZINC000512105440 1192445800 /nfs/dbraw/zinc/44/58/00/1192445800.db2.gz PSIZWBMMWMIENG-LLVKDONJSA-N 0 0 383.357 0.247 20 5 GCBDRN O=C(CCc1ccc(=O)[nH]c1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000279045493 1192445970 /nfs/dbraw/zinc/44/59/70/1192445970.db2.gz OVTVICWPGWKFID-UHFFFAOYSA-N 0 0 394.409 0.723 20 5 GCBDRN O=C1CN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000279065808 1192450951 /nfs/dbraw/zinc/45/09/51/1192450951.db2.gz FTPBPMMHWFLVRW-UHFFFAOYSA-N 0 0 396.381 0.504 20 5 GCBDRN COC[C@H](NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000279062847 1192451910 /nfs/dbraw/zinc/45/19/10/1192451910.db2.gz BAYSOQCCTFTESM-GXTWGEPZSA-N 0 0 387.414 0.474 20 5 GCBDRN CCn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000265118520 1192464381 /nfs/dbraw/zinc/46/43/81/1192464381.db2.gz FZQFSNVGYDXKNO-UHFFFAOYSA-N 0 0 393.425 0.958 20 5 GCBDRN C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000066987212 1192466736 /nfs/dbraw/zinc/46/67/36/1192466736.db2.gz CYXRGBAKXQYRRZ-JTQLQIEISA-N 0 0 397.417 0.062 20 5 GCBDRN CN1C[C@@H](Nc2ccc([N+](=O)[O-])c(N[C@H]3CC(=O)N(C)C3)c2[N+](=O)[O-])CC1=O ZINC000279107729 1192467740 /nfs/dbraw/zinc/46/77/40/1192467740.db2.gz YBCDSYDNVFUEIK-UWVGGRQHSA-N 0 0 392.372 0.788 20 5 GCBDRN C[C@H]1CC[S@@](=O)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000432475323 1192470121 /nfs/dbraw/zinc/47/01/21/1192470121.db2.gz ZJGVWVNLJYMSAL-KPHLJTLVSA-N 0 0 381.410 0.690 20 5 GCBDRN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000066986888 1192470163 /nfs/dbraw/zinc/47/01/63/1192470163.db2.gz IRNPRBZCCKRFAK-TXEJJXNPSA-N 0 0 386.430 0.692 20 5 GCBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279160743 1192475705 /nfs/dbraw/zinc/47/57/05/1192475705.db2.gz ZUHXLFFXKCWQDO-DYZYQPBXSA-N 0 0 391.384 0.604 20 5 GCBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000279225279 1192490712 /nfs/dbraw/zinc/49/07/12/1192490712.db2.gz OHGMUNBDBISUCL-OAHLLOKOSA-N 0 0 377.313 0.626 20 5 GCBDRN C[C@H](CN1CCOCC1)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279272267 1192497106 /nfs/dbraw/zinc/49/71/06/1192497106.db2.gz JOTFBNGDWJYKLZ-GFCCVEGCSA-N 0 0 396.469 0.965 20 5 GCBDRN CC1(C)CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279264193 1192497110 /nfs/dbraw/zinc/49/71/10/1192497110.db2.gz IYRLJRPHGCFQBA-CABCVRRESA-N 0 0 397.453 0.977 20 5 GCBDRN Cc1ccc(CNC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)c(=O)n1C ZINC000279289827 1192500776 /nfs/dbraw/zinc/50/07/76/1192500776.db2.gz JTQQEKVOCWHEON-UHFFFAOYSA-N 0 0 394.409 0.488 20 5 GCBDRN CC(=O)NCC(=O)NCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279291503 1192501766 /nfs/dbraw/zinc/50/17/66/1192501766.db2.gz KFKFCRDOSFOJDU-UHFFFAOYSA-N 0 0 376.291 0.482 20 5 GCBDRN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)C(=O)N1S(=O)(=O)[O-] ZINC001167861502 1192512546 /nfs/dbraw/zinc/51/25/46/1192512546.db2.gz SETURXANCHHDHS-ZANVPECISA-N 0 0 388.402 0.349 20 5 GCBDRN C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000279349452 1192528373 /nfs/dbraw/zinc/52/83/73/1192528373.db2.gz COOQPVPPIDSIAD-GLEZIHRCSA-N 0 0 389.311 0.791 20 5 GCBDRN C[C@@H]1CN(CCN(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000279376381 1192531544 /nfs/dbraw/zinc/53/15/44/1192531544.db2.gz SZLXSIMGRCTQDZ-OKILXGFUSA-N 0 0 378.429 0.892 20 5 GCBDRN C[C@@H]1OCC[C@]1(O)CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000279380144 1192534242 /nfs/dbraw/zinc/53/42/42/1192534242.db2.gz FLLFUAACKWSXKQ-GTNSWQLSSA-N 0 0 379.369 0.939 20 5 GCBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000279390674 1192535142 /nfs/dbraw/zinc/53/51/42/1192535142.db2.gz GWDKHKAWOAQYLW-CQSZACIVSA-N 0 0 396.425 0.560 20 5 GCBDRN Cc1cc(C(=O)NCC(=O)N(C)[C@H](C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000279407001 1192536782 /nfs/dbraw/zinc/53/67/82/1192536782.db2.gz WPSJCRBBZLBCLF-CQSZACIVSA-N 0 0 378.429 0.812 20 5 GCBDRN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279474330 1192544908 /nfs/dbraw/zinc/54/49/08/1192544908.db2.gz MAKXDEHXVLJUDD-AWEZNQCLSA-N 0 0 376.354 0.414 20 5 GCBDRN NC(=O)c1ccc(SCC(=O)N2CC(=O)N(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000279514477 1192549767 /nfs/dbraw/zinc/54/97/67/1192549767.db2.gz QIXZHYSDLFOXEO-UHFFFAOYSA-N 0 0 378.410 0.824 20 5 GCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000279520009 1192550660 /nfs/dbraw/zinc/55/06/60/1192550660.db2.gz PKEHPYQJPFVJMY-ZDUSSCGKSA-N 0 0 385.446 0.516 20 5 GCBDRN CN(CCCCCO)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000279567727 1192556782 /nfs/dbraw/zinc/55/67/82/1192556782.db2.gz QWAAOVMZTHZCAK-UHFFFAOYSA-N 0 0 388.446 0.665 20 5 GCBDRN COc1ccc(NC(=O)C(=O)N(C)[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000279562245 1192557604 /nfs/dbraw/zinc/55/76/04/1192557604.db2.gz VGCLLLVEKXVNKG-LBPRGKRZSA-N 0 0 380.401 0.721 20 5 GCBDRN C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 ZINC000432561249 1192560212 /nfs/dbraw/zinc/56/02/12/1192560212.db2.gz YQDAHPRSBFTSFF-LLVKDONJSA-N 0 0 397.409 0.213 20 5 GCBDRN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279588097 1192560577 /nfs/dbraw/zinc/56/05/77/1192560577.db2.gz UVUDCVUEBCSEHY-SUMWQHHRSA-N 0 0 387.352 0.288 20 5 GCBDRN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279588092 1192560695 /nfs/dbraw/zinc/56/06/95/1192560695.db2.gz UVUDCVUEBCSEHY-GUYCJALGSA-N 0 0 387.352 0.288 20 5 GCBDRN COC[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCCO1 ZINC000279640057 1192568299 /nfs/dbraw/zinc/56/82/99/1192568299.db2.gz ZXPJQECVMBDHMK-YPMHNXCESA-N 0 0 377.353 0.501 20 5 GCBDRN C[C@H]1C(=O)CC[C@@H]1CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000279668125 1192574435 /nfs/dbraw/zinc/57/44/35/1192574435.db2.gz MZBMHSUGNYVIBG-VXGBXAGGSA-N 0 0 383.426 0.995 20 5 GCBDRN COC(=O)c1cc(NC(=O)C(=O)N2CC(=O)N(C3CC3)C2)c(C)c([N+](=O)[O-])c1 ZINC000279675914 1192575489 /nfs/dbraw/zinc/57/54/89/1192575489.db2.gz KGJIPVOJYSFBOO-UHFFFAOYSA-N 0 0 390.352 0.419 20 5 GCBDRN CO[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000279702251 1192579406 /nfs/dbraw/zinc/57/94/06/1192579406.db2.gz JRFHSOGQKAFWLG-OAHLLOKOSA-N 0 0 383.426 0.853 20 5 GCBDRN Cc1cc(=O)c(C(=O)N2CC(=O)N(C3CC3)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000279752191 1192597218 /nfs/dbraw/zinc/59/72/18/1192597218.db2.gz LETLFBBVGKJPIO-UHFFFAOYSA-N 0 0 383.364 0.853 20 5 GCBDRN C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)N1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000279753459 1192597521 /nfs/dbraw/zinc/59/75/21/1192597521.db2.gz OTRAFYUPXCKGLL-OCAPTIKFSA-N 0 0 392.332 0.324 20 5 GCBDRN CN1CCN(C(=O)c2ccc(C(=O)N3CCN(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000279756183 1192598067 /nfs/dbraw/zinc/59/80/67/1192598067.db2.gz QQKPPUPRCNCEGW-UHFFFAOYSA-N 0 0 375.429 0.370 20 5 GCBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000279769017 1192599282 /nfs/dbraw/zinc/59/92/82/1192599282.db2.gz SHKTYPSCONVGGT-JKSUJKDBSA-N 0 0 389.368 0.874 20 5 GCBDRN CN(CC(=O)N[C@H](CO)CC1CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000279789977 1192605665 /nfs/dbraw/zinc/60/56/65/1192605665.db2.gz DCUQTDSYAGQPKB-ZDUSSCGKSA-N 0 0 385.442 0.883 20 5 GCBDRN O=C(c1nc2ncccn2n1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001126339654 1192624857 /nfs/dbraw/zinc/62/48/57/1192624857.db2.gz LRJHQVDTXDEALW-UHFFFAOYSA-N 0 0 381.352 0.631 20 5 GCBDRN COC(=O)CCN1CC[C@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1=O ZINC000500478760 1192624934 /nfs/dbraw/zinc/62/49/34/1192624934.db2.gz CFLXJUCJTRHGBT-NSHDSACASA-N 0 0 395.368 0.506 20 5 GCBDRN COC(=O)CCN1CC[C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1=O ZINC000500482521 1192627481 /nfs/dbraw/zinc/62/74/81/1192627481.db2.gz DZMWXPSUGXSAOK-LBPRGKRZSA-N 0 0 381.389 0.078 20 5 GCBDRN COC(=O)CCN1CC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1=O ZINC000500497184 1192631381 /nfs/dbraw/zinc/63/13/81/1192631381.db2.gz SMTZMQKVOUZZNQ-CQSZACIVSA-N 0 0 388.380 0.830 20 5 GCBDRN NC(=O)c1cn(C2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C2)nn1 ZINC000500496123 1192631773 /nfs/dbraw/zinc/63/17/73/1192631773.db2.gz CHSUQINBBDBAJR-UHFFFAOYSA-N 0 0 382.340 0.168 20 5 GCBDRN COC(=O)c1cn(C2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)nn1 ZINC000500496391 1192631845 /nfs/dbraw/zinc/63/18/45/1192631845.db2.gz ZQOWHXUEXFLETQ-UHFFFAOYSA-N 0 0 398.339 0.251 20 5 GCBDRN CCS(=O)(=O)C[C@H](C)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000500504819 1192633430 /nfs/dbraw/zinc/63/34/30/1192633430.db2.gz VMWRNWUTPQBBPD-NSHDSACASA-N 0 0 386.430 0.333 20 5 GCBDRN CS(=O)(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000500600401 1192666826 /nfs/dbraw/zinc/66/68/26/1192666826.db2.gz QQLHEHFASYIHPA-GFCCVEGCSA-N 0 0 397.409 0.928 20 5 GCBDRN COCC(=O)N1CCC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000500667266 1192698008 /nfs/dbraw/zinc/69/80/08/1192698008.db2.gz DOJGSMASBSATFR-UHFFFAOYSA-N 0 0 385.442 0.694 20 5 GCBDRN COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000015328539 1192698477 /nfs/dbraw/zinc/69/84/77/1192698477.db2.gz ALVFERNSACBXLK-LBPRGKRZSA-N 0 0 385.398 0.264 20 5 GCBDRN CCOC(=O)[C@@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000512460842 1192716638 /nfs/dbraw/zinc/71/66/38/1192716638.db2.gz WSJAODVGJTWWTB-PWSUYJOCSA-N 0 0 390.418 0.448 20 5 GCBDRN CC(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000432800422 1192717013 /nfs/dbraw/zinc/71/70/13/1192717013.db2.gz NCDQYVNBFPYULZ-UHFFFAOYSA-N 0 0 380.382 0.834 20 5 GCBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000512461806 1192717556 /nfs/dbraw/zinc/71/75/56/1192717556.db2.gz FCSCZZZWPXPLPJ-STQMWFEESA-N 0 0 388.380 0.590 20 5 GCBDRN COC(=O)c1cc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000432809838 1192734729 /nfs/dbraw/zinc/73/47/29/1192734729.db2.gz YZNYIIJLMBRRDB-UHFFFAOYSA-N 0 0 396.381 0.418 20 5 GCBDRN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000291978206 1192765725 /nfs/dbraw/zinc/76/57/25/1192765725.db2.gz YYSLDXJKZMJJSO-SWLSCSKDSA-N 0 0 382.442 0.860 20 5 GCBDRN COC(=O)c1cccc(O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)c1[N+](=O)[O-] ZINC000419119237 1192802328 /nfs/dbraw/zinc/80/23/28/1192802328.db2.gz RYQAWGUFVJNRGF-LLVKDONJSA-N 0 0 379.369 0.839 20 5 GCBDRN CS(=O)(=O)N1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000512520365 1192828471 /nfs/dbraw/zinc/82/84/71/1192828471.db2.gz MTTCVDDBRCQPQX-SNVBAGLBSA-N 0 0 394.409 0.860 20 5 GCBDRN 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0.319 20 5 GCBDRN CC(C)N(C)C(=O)CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000510711604 1186067351 /nfs/dbraw/zinc/06/73/51/1186067351.db2.gz LOSCMXRKZNGLQS-UHFFFAOYSA-N 0 0 398.485 0.987 20 5 GCBDRN CCCCNC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)nc(C)n1C ZINC000431016622 1186102928 /nfs/dbraw/zinc/10/29/28/1186102928.db2.gz WIQDGVRDULYDKX-UHFFFAOYSA-N 0 0 390.400 0.967 20 5 GCBDRN C[C@@H](O)CN(C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000276833711 1186103730 /nfs/dbraw/zinc/10/37/30/1186103730.db2.gz XYYUNHDKIKGKSF-NWDGAFQWSA-N 0 0 389.430 0.142 20 5 GCBDRN C[C@H](CO)N(C[C@H](C)O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000276833707 1186105216 /nfs/dbraw/zinc/10/52/16/1186105216.db2.gz XYYUNHDKIKGKSF-NEPJUHHUSA-N 0 0 389.430 0.142 20 5 GCBDRN CN(C[C@H](O)C1CC1)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610670037 1186108758 /nfs/dbraw/zinc/10/87/58/1186108758.db2.gz AFFFPAKHSCORIL-AWEZNQCLSA-N 0 0 386.430 0.274 20 5 GCBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000043840843 1186120236 /nfs/dbraw/zinc/12/02/36/1186120236.db2.gz YWCIGLFKCFEJPH-UHFFFAOYSA-N 0 0 383.364 0.813 20 5 GCBDRN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C[C@H]1O ZINC000276849504 1186120355 /nfs/dbraw/zinc/12/03/55/1186120355.db2.gz IQGCTWSXBOKZAY-QMTHXVAHSA-N 0 0 379.369 0.858 20 5 GCBDRN COC(=O)c1cc(NC(=O)C(=O)N(C)[C@@H](C)C[S@](C)=O)c(C)c([N+](=O)[O-])c1 ZINC000276852609 1186122530 /nfs/dbraw/zinc/12/25/30/1186122530.db2.gz JFHOYSKKUMWNPB-RWXBIINUSA-N 0 0 399.425 0.854 20 5 GCBDRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000276896213 1186137945 /nfs/dbraw/zinc/13/79/45/1186137945.db2.gz UYBVWEIOPMEBNU-UHFFFAOYSA-N 0 0 384.458 0.654 20 5 GCBDRN COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](OC)[C@@H](OC)C2)c(C)c([N+](=O)[O-])c1 ZINC000276912115 1186145021 /nfs/dbraw/zinc/14/50/21/1186145021.db2.gz QKVMDWMKNPFDAC-OKILXGFUSA-N 0 0 395.368 0.501 20 5 GCBDRN COC(=O)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@@H](C)O ZINC000276917154 1186146566 /nfs/dbraw/zinc/14/65/66/1186146566.db2.gz YESJVFRKVXAFFB-KCJUWKMLSA-N 0 0 391.358 0.321 20 5 GCBDRN COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H]2CO)c(C)c([N+](=O)[O-])c1 ZINC000276918057 1186149480 /nfs/dbraw/zinc/14/94/80/1186149480.db2.gz RGUBIAYNEDTXIN-OTYXRUKQSA-N 0 0 379.369 0.858 20 5 GCBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000610738545 1186157634 /nfs/dbraw/zinc/15/76/34/1186157634.db2.gz FRAJQXGIFIDREU-UHFFFAOYSA-N 0 0 384.458 0.552 20 5 GCBDRN CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000610752133 1186169472 /nfs/dbraw/zinc/16/94/72/1186169472.db2.gz QLBPMRPVUWGXIT-RISCZKNCSA-N 0 0 381.385 0.750 20 5 GCBDRN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1ccn2ccnc2c1 ZINC000581994950 1186171642 /nfs/dbraw/zinc/17/16/42/1186171642.db2.gz ZGVFPFACJURFSJ-UHFFFAOYSA-N 0 0 389.393 0.837 20 5 GCBDRN CCOc1cc(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000276954779 1186174231 /nfs/dbraw/zinc/17/42/31/1186174231.db2.gz UTQQCBHBRWMGNK-HZPDHXFCSA-N 0 0 399.469 0.269 20 5 GCBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000610763510 1186175154 /nfs/dbraw/zinc/17/51/54/1186175154.db2.gz SUAMEWVARNFZAH-LLVKDONJSA-N 0 0 383.426 0.749 20 5 GCBDRN CCOC[C@@H](C(=O)OC)N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000610768250 1186177535 /nfs/dbraw/zinc/17/75/35/1186177535.db2.gz LYTHOPFKUVIQCK-LBPRGKRZSA-N 0 0 381.341 0.539 20 5 GCBDRN COc1cc(C(=O)NCCNS(=O)(=O)NC(C)C)cc([N+](=O)[O-])c1OC ZINC000276964248 1186180562 /nfs/dbraw/zinc/18/05/62/1186180562.db2.gz DARHCAGIGLHELF-UHFFFAOYSA-N 0 0 390.418 0.174 20 5 GCBDRN CN(C)S(=O)(=O)c1ccc(N2CCC[C@]3(CNC(=O)C3)C2)c([N+](=O)[O-])c1 ZINC000610784890 1186185307 /nfs/dbraw/zinc/18/53/07/1186185307.db2.gz MGWHLNRQRXCMNA-INIZCTEOSA-N 0 0 382.442 0.952 20 5 GCBDRN COC(=O)c1cc(NC(=O)C(=O)N2CCn3cnnc3C2)c(C)c([N+](=O)[O-])c1 ZINC000276980030 1186192668 /nfs/dbraw/zinc/19/26/68/1186192668.db2.gz ZGIPDVTUKYDQGU-UHFFFAOYSA-N 0 0 388.340 0.262 20 5 GCBDRN O=C1NC(=O)C2(CCC(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])CC2)N1 ZINC000510966631 1186193631 /nfs/dbraw/zinc/19/36/31/1186193631.db2.gz KODSBNRNXHBCKC-UHFFFAOYSA-N 0 0 382.398 0.535 20 5 GCBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000535668441 1186197517 /nfs/dbraw/zinc/19/75/17/1186197517.db2.gz ODYIOKUDQFTXAS-PELKAZGASA-N 0 0 381.776 0.811 20 5 GCBDRN COC(=O)c1cc(NC(=O)C(=O)NC[C@@](C)(O)CSC)c(C)c([N+](=O)[O-])c1 ZINC000276981786 1186198938 /nfs/dbraw/zinc/19/89/38/1186198938.db2.gz ZKYAWOPFZJHNNI-MRXNPFEDSA-N 0 0 399.425 0.859 20 5 GCBDRN CCOc1cc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000276986001 1186216720 /nfs/dbraw/zinc/21/67/20/1186216720.db2.gz ZDRULXJMBRUICT-GDBMZVCRSA-N 0 0 399.469 0.581 20 5 GCBDRN COc1ccc(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1S(N)(=O)=O ZINC000535811805 1186218652 /nfs/dbraw/zinc/21/86/52/1186218652.db2.gz REKDQYAOXKPUBO-UHFFFAOYSA-N 0 0 397.413 0.196 20 5 GCBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000277007993 1186227734 /nfs/dbraw/zinc/22/77/34/1186227734.db2.gz DQQBNWYUEFDKIP-ZDUSSCGKSA-N 0 0 385.442 0.794 20 5 GCBDRN Cn1cc(N2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2=O)cn1 ZINC000176171694 1186242817 /nfs/dbraw/zinc/24/28/17/1186242817.db2.gz GFFLSYHVCIBVTL-UHFFFAOYSA-N 0 0 382.384 0.893 20 5 GCBDRN Cc1c(C(=O)NC[C@@H](CO)Cc2ccco2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610880727 1186249184 /nfs/dbraw/zinc/24/91/84/1186249184.db2.gz IOKZXOPOKMMTTL-NSHDSACASA-N 0 0 397.409 0.725 20 5 GCBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000277140277 1186249256 /nfs/dbraw/zinc/24/92/56/1186249256.db2.gz PGNRDBQRUOGEMR-UHFFFAOYSA-N 0 0 378.385 0.414 20 5 GCBDRN C[C@@H](C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000535839147 1186252121 /nfs/dbraw/zinc/25/21/21/1186252121.db2.gz UPBNRIVNPKAWRD-JTQLQIEISA-N 0 0 381.414 0.889 20 5 GCBDRN COc1ccc(C(=O)NCC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000610900650 1186253803 /nfs/dbraw/zinc/25/38/03/1186253803.db2.gz FMFRDWXRKFKGKU-ABAIWWIYSA-N 0 0 380.401 0.169 20 5 GCBDRN C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000610900582 1186254965 /nfs/dbraw/zinc/25/49/65/1186254965.db2.gz BFGDXPAWQMRGSV-GXFFZTMASA-N 0 0 384.820 0.813 20 5 GCBDRN C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CN(C)CCO1 ZINC000610899653 1186255944 /nfs/dbraw/zinc/25/59/44/1186255944.db2.gz AOWPOPNLUQCXDM-HIFRSBDPSA-N 0 0 378.433 0.541 20 5 GCBDRN NS(=O)(=O)c1ccc(N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176209425 1186257238 /nfs/dbraw/zinc/25/72/38/1186257238.db2.gz OKRUSTOGZBINCH-UHFFFAOYSA-N 0 0 380.430 0.261 20 5 GCBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000610928407 1186260234 /nfs/dbraw/zinc/26/02/34/1186260234.db2.gz WQDYBUVDGGTCDY-UHFFFAOYSA-N 0 0 388.409 0.950 20 5 GCBDRN COC1(CNC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CCOCC1 ZINC000610966551 1186266720 /nfs/dbraw/zinc/26/67/20/1186266720.db2.gz NCGFCSBOPXFDHD-UHFFFAOYSA-N 0 0 387.414 0.476 20 5 GCBDRN COC(=O)CNC(=O)c1ccc(N2CCc3nc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000611006298 1186279004 /nfs/dbraw/zinc/27/90/04/1186279004.db2.gz CUAACFYLGUAJTE-UHFFFAOYSA-N 0 0 387.352 0.556 20 5 GCBDRN CCC[C@@H](O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000611003604 1186280474 /nfs/dbraw/zinc/28/04/74/1186280474.db2.gz ZVFLWOUVGTWHKK-CYBMUJFWSA-N 0 0 385.442 0.979 20 5 GCBDRN COC(=O)c1cc(NC(=O)NCCNC(=O)c2ccn[nH]2)c(C)c([N+](=O)[O-])c1 ZINC000277234387 1186300969 /nfs/dbraw/zinc/30/09/69/1186300969.db2.gz ONFZXGXZAXGNJV-UHFFFAOYSA-N 0 0 390.356 0.964 20 5 GCBDRN COc1cc(OCC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)ccc1[N+](=O)[O-] ZINC000262488534 1186301461 /nfs/dbraw/zinc/30/14/61/1186301461.db2.gz FUNLUXIOIOFRND-CYBMUJFWSA-N 0 0 392.412 0.405 20 5 GCBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000262562094 1186305096 /nfs/dbraw/zinc/30/50/96/1186305096.db2.gz YYUANNXUYSEPIU-AWEZNQCLSA-N 0 0 396.469 0.797 20 5 GCBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000538419709 1186308083 /nfs/dbraw/zinc/30/80/83/1186308083.db2.gz ZDUNFMJJTWNGHO-UHFFFAOYSA-N 0 0 381.414 0.876 20 5 GCBDRN COC[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCO[C@@H](COC)C3)n2)CCO1 ZINC000277279739 1186315496 /nfs/dbraw/zinc/31/54/96/1186315496.db2.gz AOAWWMVLJJAGOY-ZIAGYGMSSA-N 0 0 382.417 0.693 20 5 GCBDRN COc1ccc(C(=O)NCC(=O)N2CC[C@@H](C)S(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000277285032 1186317985 /nfs/dbraw/zinc/31/79/85/1186317985.db2.gz NTPMSBVIYMNCAD-LLVKDONJSA-N 0 0 399.425 0.369 20 5 GCBDRN COCCCNC(=O)COc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000728442928 1186326885 /nfs/dbraw/zinc/32/68/85/1186326885.db2.gz GKBBWUMPJRCMSE-UHFFFAOYSA-N 0 0 391.358 0.438 20 5 GCBDRN Cc1cc(C(=O)NCC(=O)N2CCC(N3CN=NC3=O)CC2)ccc1[N+](=O)[O-] 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/nfs/dbraw/zinc/21/45/54/1201214554.db2.gz DLXKMHGBKWEBHC-UHFFFAOYSA-N 0 0 384.348 0.511 20 5 GCBDRN CCn1cc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000611104671 1201215472 /nfs/dbraw/zinc/21/54/72/1201215472.db2.gz COQCTFIXDKHBOD-UHFFFAOYSA-N 0 0 386.434 0.333 20 5 GCBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(NC[C@H](C)S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000611084540 1201215582 /nfs/dbraw/zinc/21/55/82/1201215582.db2.gz OCTWTADESUIIOV-VHSXEESVSA-N 0 0 387.414 0.731 20 5 GCBDRN COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@@H](C)S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000611084542 1201215632 /nfs/dbraw/zinc/21/56/32/1201215632.db2.gz OCTWTADESUIIOV-ZJUUUORDSA-N 0 0 387.414 0.731 20 5 GCBDRN CS(=O)(=O)c1ccc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611100808 1201215712 /nfs/dbraw/zinc/21/57/12/1201215712.db2.gz DSBYLUYYFZQWGR-HNNXBMFYSA-N 0 0 396.469 0.917 20 5 GCBDRN Cn1ccnc1C(=O)c1ccc(NCCCN2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000611100912 1201215868 /nfs/dbraw/zinc/21/58/68/1201215868.db2.gz SLGPTDNPMIMBJF-UHFFFAOYSA-N 0 0 386.412 0.793 20 5 GCBDRN CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611118448 1201217916 /nfs/dbraw/zinc/21/79/16/1201217916.db2.gz KJWQUQWJNYXAJZ-JTQLQIEISA-N 0 0 387.414 0.805 20 5 GCBDRN O=C([C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H](CO)C1 ZINC000611157172 1201219441 /nfs/dbraw/zinc/21/94/41/1201219441.db2.gz GUCDIZUWDSUYOT-XJKSGUPXSA-N 0 0 397.453 0.979 20 5 GCBDRN CN(CC(=O)N1CCC[C@@H](CCO)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000611136567 1201219518 /nfs/dbraw/zinc/21/95/18/1201219518.db2.gz XRMUJNVEKNEBNM-ZDUSSCGKSA-N 0 0 385.442 0.836 20 5 GCBDRN CCOC[C@@H](C(=O)OC)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000611209507 1201223039 /nfs/dbraw/zinc/22/30/39/1201223039.db2.gz AWUUALTVLGOIKY-LBPRGKRZSA-N 0 0 383.357 0.772 20 5 GCBDRN CCCn1cc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000611227487 1201224568 /nfs/dbraw/zinc/22/45/68/1201224568.db2.gz MMPIMCLHZJQZBO-UHFFFAOYSA-N 0 0 382.402 0.305 20 5 GCBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CCCCO)CC1 ZINC000611304317 1201229488 /nfs/dbraw/zinc/22/94/88/1201229488.db2.gz OAECKXDBOSALGZ-UHFFFAOYSA-N 0 0 385.442 0.899 20 5 GCBDRN Cc1nc([C@@H]2COCCN2C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)no1 ZINC000611546641 1201245318 /nfs/dbraw/zinc/24/53/18/1201245318.db2.gz ZAZWTAPLWCHJSM-LBPRGKRZSA-N 0 0 396.381 0.903 20 5 GCBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000727013433 1201327371 /nfs/dbraw/zinc/32/73/71/1201327371.db2.gz LVUYDDOHUBHHOH-UHFFFAOYSA-N 0 0 398.397 0.667 20 5 GCBDRN CC(=O)N1CCN(c2ccc(C(=O)OCCn3cncn3)cc2[N+](=O)[O-])CC1 ZINC000727181900 1201351068 /nfs/dbraw/zinc/35/10/68/1201351068.db2.gz OXVHRFLARQOWAS-UHFFFAOYSA-N 0 0 388.384 0.712 20 5 GCBDRN C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(=O)N(C)C ZINC000727564139 1201360585 /nfs/dbraw/zinc/36/05/85/1201360585.db2.gz LYDPRKONBASYTE-VIFPVBQESA-N 0 0 381.341 0.116 20 5 GCBDRN CCOC(=O)N1CCN(C(=O)COC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000727901114 1201375221 /nfs/dbraw/zinc/37/52/21/1201375221.db2.gz RTACWVPTNSIRER-UHFFFAOYSA-N 0 0 394.384 0.943 20 5 GCBDRN O=C(COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCCO1 ZINC000729945008 1201420129 /nfs/dbraw/zinc/42/01/29/1201420129.db2.gz CPIGOSIHRDUZNR-LBPRGKRZSA-N 0 0 393.352 0.159 20 5 GCBDRN C[C@@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000729946539 1201420376 /nfs/dbraw/zinc/42/03/76/1201420376.db2.gz HLGHGJOWOFPMRL-LLVKDONJSA-N 0 0 393.352 0.111 20 5 GCBDRN COC(=O)c1cccn2cc(COC(=O)Cn3cc([N+](=O)[O-])ccc3=O)nc12 ZINC000730042089 1201429585 /nfs/dbraw/zinc/42/95/85/1201429585.db2.gz OFHNOTCHWGXLLM-UHFFFAOYSA-N 0 0 386.320 0.934 20 5 GCBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCC(=O)NC(=O)NC1CC1 ZINC000730627760 1201457250 /nfs/dbraw/zinc/45/72/50/1201457250.db2.gz INMOGGTZHPEYBD-UHFFFAOYSA-N 0 0 395.324 0.326 20 5 GCBDRN C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000731527894 1201487266 /nfs/dbraw/zinc/48/72/66/1201487266.db2.gz NXXSDGDIWCFCFS-JOYOIKCWSA-N 0 0 388.373 0.925 20 5 GCBDRN O=C(COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)NC[C@H]1CCCO1 ZINC000731526474 1201487509 /nfs/dbraw/zinc/48/75/09/1201487509.db2.gz SIZSGHBSFHAPLB-CYBMUJFWSA-N 0 0 375.341 0.628 20 5 GCBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC1(C(N)=O)CCOCC1 ZINC000731608702 1201490073 /nfs/dbraw/zinc/49/00/73/1201490073.db2.gz UJTXFTPIIOUZNZ-UHFFFAOYSA-N 0 0 395.368 0.193 20 5 GCBDRN CNC(=O)Cn1cc(NC(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)cn1 ZINC000731611930 1201490314 /nfs/dbraw/zinc/49/03/14/1201490314.db2.gz OVFBJNMKPBYVLI-UHFFFAOYSA-N 0 0 391.340 0.376 20 5 GCBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC(NC(C)=O)CC1 ZINC000731621987 1201490852 /nfs/dbraw/zinc/49/08/52/1201490852.db2.gz PAPBNRMCBJLTED-UHFFFAOYSA-N 0 0 379.369 0.922 20 5 GCBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000731598724 1201491127 /nfs/dbraw/zinc/49/11/27/1201491127.db2.gz FWFSJIFCUITDKU-LLVKDONJSA-N 0 0 386.382 0.440 20 5 GCBDRN CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000731729619 1201499659 /nfs/dbraw/zinc/49/96/59/1201499659.db2.gz CXDJTJUAQNQPBP-UHFFFAOYSA-N 0 0 391.377 0.934 20 5 GCBDRN C[C@@H](OC(=O)CN1CC(=O)NC1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000731913409 1201509868 /nfs/dbraw/zinc/50/98/68/1201509868.db2.gz QCZYYLXSEKLEJJ-SSDOTTSWSA-N 0 0 384.732 0.670 20 5 GCBDRN COC(=O)CN(CCN1CCOCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000732098579 1201517945 /nfs/dbraw/zinc/51/79/45/1201517945.db2.gz VLHTYQCQUATTGA-UHFFFAOYSA-N 0 0 399.375 0.447 20 5 GCBDRN CN(CC(=O)N1CCOCC1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000732180024 1201527057 /nfs/dbraw/zinc/52/70/57/1201527057.db2.gz NWZRBVZSOAPTHA-UHFFFAOYSA-N 0 0 387.396 0.567 20 5 GCBDRN Cn1cc(N2CC[C@H](OC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C2=O)cn1 ZINC000732354268 1201537797 /nfs/dbraw/zinc/53/77/97/1201537797.db2.gz QTIOMNHAEPKQIP-HNNXBMFYSA-N 0 0 388.336 0.868 20 5 GCBDRN O=C(OCCN1CCNC1=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000732502212 1201546305 /nfs/dbraw/zinc/54/63/05/1201546305.db2.gz OXSCGQWUGSPJTL-JTQLQIEISA-N 0 0 382.398 0.829 20 5 GCBDRN O=C(Cn1ncn2nccc2c1=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000732864665 1201565830 /nfs/dbraw/zinc/56/58/30/1201565830.db2.gz RWQZJTGBXRELIU-AWEZNQCLSA-N 0 0 398.335 0.148 20 5 GCBDRN CCCNC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000733014096 1201572858 /nfs/dbraw/zinc/57/28/58/1201572858.db2.gz OEXMLMCMCKHRKU-AWEZNQCLSA-N 0 0 399.425 0.817 20 5 GCBDRN CCN(C)C(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000733014069 1201572981 /nfs/dbraw/zinc/57/29/81/1201572981.db2.gz OBKMAGZXLKLRJA-CQSZACIVSA-N 0 0 399.425 0.769 20 5 GCBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1CCC(C(N)=O)CC1 ZINC000733259696 1201581066 /nfs/dbraw/zinc/58/10/66/1201581066.db2.gz OUQJBRCCWGUKCF-UHFFFAOYSA-N 0 0 379.369 0.955 20 5 GCBDRN CNS(=O)(=O)[C@@H]1CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000733301477 1201582539 /nfs/dbraw/zinc/58/25/39/1201582539.db2.gz SPZBXNMAMDKUQG-LLVKDONJSA-N 0 0 382.398 0.162 20 5 GCBDRN COC[C@@]1(C)NC(=O)N(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000733289435 1201583308 /nfs/dbraw/zinc/58/33/08/1201583308.db2.gz LXQPILYPIZLFLN-QGZVFWFLSA-N 0 0 377.401 0.631 20 5 GCBDRN Cc1cc(C(=O)NCC(=O)OCCCN2C(=O)CNC2=O)ccc1[N+](=O)[O-] ZINC000733376375 1201586872 /nfs/dbraw/zinc/58/68/72/1201586872.db2.gz KUWMQSOHYZWZPM-UHFFFAOYSA-N 0 0 378.341 0.118 20 5 GCBDRN CC(=O)N1CCN(c2ccc(C(=O)OCc3nnnn3C)cc2[N+](=O)[O-])CC1 ZINC000733399300 1201586943 /nfs/dbraw/zinc/58/69/43/1201586943.db2.gz FEACQCPTXFWRAK-UHFFFAOYSA-N 0 0 389.372 0.144 20 5 GCBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1nnnn1C ZINC000733416011 1201589204 /nfs/dbraw/zinc/58/92/04/1201589204.db2.gz DKXGQMKPPSQXQP-GFCCVEGCSA-N 0 0 394.413 0.713 20 5 GCBDRN CNC(=O)NC(=O)[C@H](C)OC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000733513755 1201593663 /nfs/dbraw/zinc/59/36/63/1201593663.db2.gz OLTMOHMKILFCLS-VIFPVBQESA-N 0 0 376.329 0.485 20 5 GCBDRN COC(=O)NCCCC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000733542456 1201594364 /nfs/dbraw/zinc/59/43/64/1201594364.db2.gz FXRJTKPVOJQFHT-UHFFFAOYSA-N 0 0 383.313 0.941 20 5 GCBDRN O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCCC1=O ZINC000733557523 1201595510 /nfs/dbraw/zinc/59/55/10/1201595510.db2.gz CPXJSSQFCVIYQM-JTQLQIEISA-N 0 0 395.393 0.953 20 5 GCBDRN O=C(COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCCC1=O ZINC000733557524 1201595576 /nfs/dbraw/zinc/59/55/76/1201595576.db2.gz CPXJSSQFCVIYQM-SNVBAGLBSA-N 0 0 395.393 0.953 20 5 GCBDRN COC(=O)CCNC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000733560040 1201596005 /nfs/dbraw/zinc/59/60/05/1201596005.db2.gz WSPFGXNKIXFCKB-JTQLQIEISA-N 0 0 397.340 0.015 20 5 GCBDRN O=C(CN1CCC(=O)NC1=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000733561147 1201596030 /nfs/dbraw/zinc/59/60/30/1201596030.db2.gz BSNOMBSZLPTUND-LBPRGKRZSA-N 0 0 376.325 0.185 20 5 GCBDRN 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ZINC000282611197 1201614948 /nfs/dbraw/zinc/61/49/48/1201614948.db2.gz VFASTDBRFSVVFM-NSHDSACASA-N 0 0 382.348 0.344 20 5 GCBDRN CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)CCO1 ZINC000282611191 1201615117 /nfs/dbraw/zinc/61/51/17/1201615117.db2.gz VFASTDBRFSVVFM-LLVKDONJSA-N 0 0 382.348 0.344 20 5 GCBDRN CN1CCN(C(=O)CCN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000282641044 1201616989 /nfs/dbraw/zinc/61/69/89/1201616989.db2.gz BQFNVMKBQHJVOV-UHFFFAOYSA-N 0 0 389.456 0.517 20 5 GCBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000282621761 1201617591 /nfs/dbraw/zinc/61/75/91/1201617591.db2.gz FQAGVDNBTKLPAT-LBPRGKRZSA-N 0 0 386.364 0.508 20 5 GCBDRN COc1ccc(CNC(=O)N2CCC(CS(N)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000282676074 1201621194 /nfs/dbraw/zinc/62/11/94/1201621194.db2.gz WAOVOPDJOHABGI-UHFFFAOYSA-N 0 0 386.430 0.814 20 5 GCBDRN NC(=O)CNC(=O)c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000734497513 1201653861 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JEGUPRKKNOUBJY-GFCCVEGCSA-N 0 0 376.456 0.735 20 5 GCBDRN CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000276812096 530911497 /nfs/dbraw/zinc/91/14/97/530911497.db2.gz MHQSFHQSNSSDNW-LBPRGKRZSA-N 0 0 391.471 0.914 20 5 GCBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1[N+](=O)[O-] ZINC000276831438 530911504 /nfs/dbraw/zinc/91/15/04/530911504.db2.gz ORCLTWDHIODHNF-GFCCVEGCSA-N 0 0 391.471 0.901 20 5 GCBDRN NC(=O)[C@@]1(O)CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000276410832 530911530 /nfs/dbraw/zinc/91/15/30/530911530.db2.gz HIMJYUNXWXNUAP-LLVKDONJSA-N 0 0 383.304 0.315 20 5 GCBDRN CSC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000274987527 530902187 /nfs/dbraw/zinc/90/21/87/530902187.db2.gz COJBWXQPNGBQPL-ZDUSSCGKSA-N 0 0 375.472 0.625 20 5 GCBDRN Cc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000378193930 530903106 /nfs/dbraw/zinc/90/31/06/530903106.db2.gz FKDQRXCROOJELZ-CYBMUJFWSA-N 0 0 391.471 0.994 20 5 GCBDRN CC(C)NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000378193013 530903156 /nfs/dbraw/zinc/90/31/56/530903156.db2.gz AILDENTXGCOFIR-LLVKDONJSA-N 0 0 377.444 0.686 20 5 GCBDRN Cc1c(NC(=O)C(=O)NCCCC(N)=O)cc(Br)cc1[N+](=O)[O-] ZINC000430323949 530903187 /nfs/dbraw/zinc/90/31/87/530903187.db2.gz PPLDIERMSSTTJO-UHFFFAOYSA-N 0 0 387.190 0.986 20 5 GCBDRN COC(=O)[C@H](CC(F)F)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000534206178 530903411 /nfs/dbraw/zinc/90/34/11/530903411.db2.gz QQIDEOOXCQFMJX-JTQLQIEISA-N 0 0 380.325 0.925 20 5 GCBDRN NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000535225383 530903702 /nfs/dbraw/zinc/90/37/02/530903702.db2.gz MEBDUOWJQOJODS-MRVPVSSYSA-N 0 0 378.204 0.860 20 5 GCBDRN COc1ccc(S(=O)(=O)NCC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000535143552 530903709 /nfs/dbraw/zinc/90/37/09/530903709.db2.gz USALSNJBRWQWNW-UHFFFAOYSA-N 0 0 378.428 0.707 20 5 GCBDRN CN(CC(=O)N[C@H](CO)CC(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000430508924 530904261 /nfs/dbraw/zinc/90/42/61/530904261.db2.gz HJPRALFNGPZJET-VIFPVBQESA-N 0 0 381.357 0.348 20 5 GCBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000274390230 530904455 /nfs/dbraw/zinc/90/44/55/530904455.db2.gz PHBDEXUTMBZKAA-JTQLQIEISA-N 0 0 389.817 0.671 20 5 GCBDRN CS(=O)(=O)[C@@H]1CSCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000274682755 530904546 /nfs/dbraw/zinc/90/45/46/530904546.db2.gz RWVXLDRIJMYJCB-CYBMUJFWSA-N 0 0 387.439 0.271 20 5 GCBDRN C[C@@H](C[S@@](C)=O)N(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274536258 530904849 /nfs/dbraw/zinc/90/48/49/530904849.db2.gz RQDVSVMLRMEFSF-APXPCNQMSA-N 0 0 391.471 0.441 20 5 GCBDRN C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000274357654 530904881 /nfs/dbraw/zinc/90/48/81/530904881.db2.gz LKELCKCLKZMJCQ-JTQLQIEISA-N 0 0 385.423 0.951 20 5 GCBDRN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000463221092 530905034 /nfs/dbraw/zinc/90/50/34/530905034.db2.gz FRUPNRMFGUQTHZ-KGLIPLIRSA-N 0 0 391.471 0.875 20 5 GCBDRN CC(C)(C)OC(=O)[C@@](C)(O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000463565599 530905783 /nfs/dbraw/zinc/90/57/83/530905783.db2.gz WTRXVQXLTAVFFD-AWEZNQCLSA-N 0 0 375.403 0.747 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N2CCCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000275038948 530906617 /nfs/dbraw/zinc/90/66/17/530906617.db2.gz DSDGAULZGPWUHG-UHFFFAOYSA-N 0 0 375.378 0.985 20 5 GCBDRN COC(=O)CSCCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275089955 530906628 /nfs/dbraw/zinc/90/66/28/530906628.db2.gz QKJKWTZYKCSHQX-UHFFFAOYSA-N 0 0 382.391 0.927 20 5 GCBDRN NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000464190643 530907588 /nfs/dbraw/zinc/90/75/88/530907588.db2.gz VYIXIBYIXUHRHL-VIFPVBQESA-N 0 0 386.411 0.195 20 5 GCBDRN Cc1cc(S(=O)(=O)NCCS(=O)(=O)NC(C)C)cc([N+](=O)[O-])c1F ZINC000271427902 530907711 /nfs/dbraw/zinc/90/77/11/530907711.db2.gz MRKITMHGYNMPLL-UHFFFAOYSA-N 0 0 383.423 0.648 20 5 GCBDRN COCC[C@@H](C)S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000464410372 530908607 /nfs/dbraw/zinc/90/86/07/530908607.db2.gz JBGXVDWLLLKVTN-LLVKDONJSA-N 0 0 395.459 0.218 20 5 GCBDRN COC(=O)[C@H]1[C@H](O)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000275387364 530908832 /nfs/dbraw/zinc/90/88/32/530908832.db2.gz AOJBLOOITHBCOO-ZYHUDNBSSA-N 0 0 378.790 0.935 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N2CCOC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000275356569 530908838 /nfs/dbraw/zinc/90/88/38/530908838.db2.gz HWFZTUSPCNHLNV-VHSXEESVSA-N 0 0 378.378 0.903 20 5 GCBDRN CNS(=O)(=O)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000275815898 530909579 /nfs/dbraw/zinc/90/95/79/530909579.db2.gz FBIMGPWUDWVVNJ-UHFFFAOYSA-N 0 0 392.459 0.340 20 5 GCBDRN Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC2 ZINC000447768579 530910291 /nfs/dbraw/zinc/91/02/91/530910291.db2.gz SNWJDQBMCHYNGY-UHFFFAOYSA-N 0 0 391.471 0.877 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000276287894 530910603 /nfs/dbraw/zinc/91/06/03/530910603.db2.gz ZEMPZAYYVREFID-SECBINFHSA-N 0 0 392.411 0.189 20 5 GCBDRN O=C1CO[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@@H]2N1 ZINC000368506957 530879557 /nfs/dbraw/zinc/87/95/57/530879557.db2.gz HGAJJQWTCPJPFZ-UWVGGRQHSA-N 0 0 393.780 0.665 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N2CCCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000368793633 530881610 /nfs/dbraw/zinc/88/16/10/530881610.db2.gz YLIVMYIEYYSTGJ-UHFFFAOYSA-N 0 0 382.391 0.552 20 5 GCBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC000594783404 530881966 /nfs/dbraw/zinc/88/19/66/530881966.db2.gz PLSJXFZPWUPTEA-GZMMTYOYSA-N 0 0 395.231 0.721 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)c(Br)c1 ZINC000594783958 530882386 /nfs/dbraw/zinc/88/23/86/530882386.db2.gz WHGXMYHVGRPAMB-GZMMTYOYSA-N 0 0 395.231 0.721 20 5 GCBDRN CCn1cc(S(=O)(=O)NCCC2(CS(C)(=O)=O)CC2)c([N+](=O)[O-])n1 ZINC000594790291 530882722 /nfs/dbraw/zinc/88/27/22/530882722.db2.gz CKLLYZJSQVBFAO-UHFFFAOYSA-N 0 0 380.448 0.304 20 5 GCBDRN Cc1nnsc1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421984528 530882856 /nfs/dbraw/zinc/88/28/56/530882856.db2.gz IYFOENXIJHHQFE-UHFFFAOYSA-N 0 0 385.427 0.805 20 5 GCBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CC(NS(C)(=O)=O)C2)c1C ZINC000619751884 530882886 /nfs/dbraw/zinc/88/28/86/530882886.db2.gz ACHVQMLYYAZGEI-UHFFFAOYSA-N 0 0 377.444 0.570 20 5 GCBDRN C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000270794978 530883908 /nfs/dbraw/zinc/88/39/08/530883908.db2.gz HVDSWGKEXVCWFM-VIFPVBQESA-N 0 0 377.806 0.462 20 5 GCBDRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000594820506 530885352 /nfs/dbraw/zinc/88/53/52/530885352.db2.gz AXDWEMGLZNCGOB-CMPLNLGQSA-N 0 0 378.428 0.302 20 5 GCBDRN CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000594821355 530885389 /nfs/dbraw/zinc/88/53/89/530885389.db2.gz HHXSPGASADKUQC-PWSUYJOCSA-N 0 0 378.428 0.302 20 5 GCBDRN CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000594822780 530885744 /nfs/dbraw/zinc/88/57/44/530885744.db2.gz OUONSHYZZJYYBV-GHMZBOCLSA-N 0 0 378.428 0.302 20 5 GCBDRN CNS(=O)(=O)c1ccccc1S(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000442923701 530886171 /nfs/dbraw/zinc/88/61/71/530886171.db2.gz MZVZWBCEBUXBTJ-UHFFFAOYSA-N 0 0 385.423 0.981 20 5 GCBDRN CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000299070105 530886280 /nfs/dbraw/zinc/88/62/80/530886280.db2.gz WIAIXVNBIREYQF-JTQLQIEISA-N 0 0 395.434 0.684 20 5 GCBDRN CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594827108 530886366 /nfs/dbraw/zinc/88/63/66/530886366.db2.gz RXOBGCKEEPMQDY-UWVGGRQHSA-N 0 0 384.819 0.339 20 5 GCBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)CS(C)(=O)=O)c(C)c1[N+](=O)[O-] ZINC000276582941 530910913 /nfs/dbraw/zinc/91/09/13/530910913.db2.gz BZUYGXDOCXKHDN-ZETCQYMHSA-N 0 0 395.415 0.831 20 5 GCBDRN CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594842395 530886740 /nfs/dbraw/zinc/88/67/40/530886740.db2.gz GEDNWNOUKGGSMT-UHFFFAOYSA-N 0 0 392.865 0.889 20 5 GCBDRN COCc1n[nH]c(CNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)n1 ZINC000594828733 530886800 /nfs/dbraw/zinc/88/68/00/530886800.db2.gz VYTFYMDTGDMIQE-UHFFFAOYSA-N 0 0 375.338 0.486 20 5 GCBDRN CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000299091990 530887181 /nfs/dbraw/zinc/88/71/81/530887181.db2.gz ZIQNIIWVAHGQFS-JTQLQIEISA-N 0 0 395.434 0.826 20 5 GCBDRN COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000276534084 530910945 /nfs/dbraw/zinc/91/09/45/530910945.db2.gz HXZSABGAGSPLEP-UHFFFAOYSA-N 0 0 382.416 0.594 20 5 GCBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000370366575 530887688 /nfs/dbraw/zinc/88/76/88/530887688.db2.gz KXRXARPLARBVFW-GFCCVEGCSA-N 0 0 377.444 0.653 20 5 GCBDRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595586442 530910988 /nfs/dbraw/zinc/91/09/88/530910988.db2.gz 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CC(C)NS(=O)(=O)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271035130 530890063 /nfs/dbraw/zinc/89/00/63/530890063.db2.gz GDLAMFKXLAFJDC-UHFFFAOYSA-N 0 0 379.460 0.385 20 5 GCBDRN CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000372148745 530890717 /nfs/dbraw/zinc/89/07/17/530890717.db2.gz GCBOHSUYAGGOKX-LBPRGKRZSA-N 0 0 377.444 0.524 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCNS(=O)(=O)CCOCC2CC2)cc1 ZINC000425169027 530890884 /nfs/dbraw/zinc/89/08/84/530890884.db2.gz IVHKAXOMBDTPLQ-UHFFFAOYSA-N 0 0 392.455 0.715 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)NCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000425181680 530890898 /nfs/dbraw/zinc/89/08/98/530890898.db2.gz XGOSKZHBEJVGDU-UHFFFAOYSA-N 0 0 394.427 0.485 20 5 GCBDRN CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000372148721 530890978 /nfs/dbraw/zinc/89/09/78/530890978.db2.gz IDQJLGKBXWBAMI-SECBINFHSA-N 0 0 397.862 0.869 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)NC[C@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000425185122 530891068 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0.937 20 5 GCBDRN CC(C)(CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)NS(C)(=O)=O ZINC000068189936 530894094 /nfs/dbraw/zinc/89/40/94/530894094.db2.gz DVDMKKSJQAUAER-UHFFFAOYSA-N 0 0 393.443 0.056 20 5 GCBDRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595128968 530894159 /nfs/dbraw/zinc/89/41/59/530894159.db2.gz KNWKFSVPOIHOLY-QWRGUYRKSA-N 0 0 391.789 0.115 20 5 GCBDRN CN(C[C@H](O)CN1CCOCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271224748 530894341 /nfs/dbraw/zinc/89/43/41/530894341.db2.gz DSUBSZFJQKETJQ-JTQLQIEISA-N 0 0 379.460 0.189 20 5 GCBDRN CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000271234985 530894422 /nfs/dbraw/zinc/89/44/22/530894422.db2.gz BKMBVYQJSZQDTE-LBPRGKRZSA-N 0 0 377.444 0.606 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H](CO)SC ZINC000276398764 530911328 /nfs/dbraw/zinc/91/13/28/530911328.db2.gz SKPGWYJJRZRTOC-KCJUWKMLSA-N 0 0 378.428 0.772 20 5 GCBDRN COCC[C@@H](COC)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 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CNS(=O)(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619483171 530934166 /nfs/dbraw/zinc/93/41/66/530934166.db2.gz XGSSFVOYSMGMMP-UHFFFAOYSA-N 0 0 393.443 0.306 20 5 GCBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000467224378 530914407 /nfs/dbraw/zinc/91/44/07/530914407.db2.gz VIUYMWRLGOXFKR-LLVKDONJSA-N 0 0 377.806 0.861 20 5 GCBDRN COCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CC2 ZINC000467062891 530914513 /nfs/dbraw/zinc/91/45/13/530914513.db2.gz GTDKAORYTJKJRV-VIFPVBQESA-N 0 0 387.443 0.996 20 5 GCBDRN Cc1sc(S(=O)(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000467075989 530914573 /nfs/dbraw/zinc/91/45/73/530914573.db2.gz RXWIJCCLGDVZKH-SNVBAGLBSA-N 0 0 385.427 0.782 20 5 GCBDRN COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467078963 530914586 /nfs/dbraw/zinc/91/45/86/530914586.db2.gz KVUZJRBFCXJUOE-GFCCVEGCSA-N 0 0 378.428 0.899 20 5 GCBDRN CNS(=O)(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000549525846 530914696 /nfs/dbraw/zinc/91/46/96/530914696.db2.gz YHMMRDZUGKELET-UHFFFAOYSA-N 0 0 383.473 0.667 20 5 GCBDRN COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467261539 530914770 /nfs/dbraw/zinc/91/47/70/530914770.db2.gz PWUNHTNJQWAQSZ-SECBINFHSA-N 0 0 377.400 0.017 20 5 GCBDRN Cn1cc([C@H]2C[S@](=O)CCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000277869745 530915275 /nfs/dbraw/zinc/91/52/75/530915275.db2.gz OXGRBUGXCDHFCB-YEBMWUKDSA-N 0 0 384.439 0.823 20 5 GCBDRN CS(=O)(=O)[C@H]1CCCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000278080759 530915388 /nfs/dbraw/zinc/91/53/88/530915388.db2.gz USYMDBHVEPTVQT-LBPRGKRZSA-N 0 0 377.444 0.646 20 5 GCBDRN Cn1ncnc1Sc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000277997887 530915435 /nfs/dbraw/zinc/91/54/35/530915435.db2.gz ZZQLFRNQBCSQCW-UHFFFAOYSA-N 0 0 385.427 0.895 20 5 GCBDRN Cn1cc([C@@H]2C[S@@](=O)CCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000277869737 530915622 /nfs/dbraw/zinc/91/56/22/530915622.db2.gz OXGRBUGXCDHFCB-RZFZLAGVSA-N 0 0 384.439 0.823 20 5 GCBDRN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000271569488 530915684 /nfs/dbraw/zinc/91/56/84/530915684.db2.gz BLEKUGGEIVBHNN-CQSZACIVSA-N 0 0 389.455 0.234 20 5 GCBDRN COc1ccc(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000278261312 530915948 /nfs/dbraw/zinc/91/59/48/530915948.db2.gz QNSRFEDDMHSUME-UHFFFAOYSA-N 0 0 395.459 0.304 20 5 GCBDRN CN(C)S(=O)(=O)CCCS(=O)(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000278309974 530916223 /nfs/dbraw/zinc/91/62/23/530916223.db2.gz WPYANVGILOBPCE-UHFFFAOYSA-N 0 0 394.475 0.208 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000278700948 530916893 /nfs/dbraw/zinc/91/68/93/530916893.db2.gz JVUUGCPRDVWYMP-CYBMUJFWSA-N 0 0 389.455 0.783 20 5 GCBDRN C[C@H](CNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000520865045 530916888 /nfs/dbraw/zinc/91/68/88/530916888.db2.gz FFDPYCHHZIKKAS-SECBINFHSA-N 0 0 391.833 0.456 20 5 GCBDRN C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[S@@](=O)C1 ZINC000278779930 530916986 /nfs/dbraw/zinc/91/69/86/530916986.db2.gz VTAJDJDCUGEJPB-VKTRGTBVSA-N 0 0 390.439 0.755 20 5 GCBDRN Cc1c(C(=O)N(C)[C@H](C)C[S@@](C)=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000468311088 530917055 /nfs/dbraw/zinc/91/70/55/530917055.db2.gz VHVNEEKSJSDYKI-JRSYYBBYSA-N 0 0 377.444 0.390 20 5 GCBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](n3cc(CO)nn3)C2)s1 ZINC000549578120 530917179 /nfs/dbraw/zinc/91/71/79/530917179.db2.gz FSNDUWCZOXCXDH-SNVBAGLBSA-N 0 0 387.443 0.985 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000468843541 530917609 /nfs/dbraw/zinc/91/76/09/530917609.db2.gz FMFFWQSRIROOKH-SNVBAGLBSA-N 0 0 392.411 0.189 20 5 GCBDRN CN(C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000331299604 530918835 /nfs/dbraw/zinc/91/88/35/530918835.db2.gz VMGCXQXXZRNWPT-UHFFFAOYSA-N 0 0 391.471 0.780 20 5 GCBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCSC1 ZINC000279567077 530919126 /nfs/dbraw/zinc/91/91/26/530919126.db2.gz OARAIOUJBJMZFF-LLVKDONJSA-N 0 0 388.471 0.925 20 5 GCBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(S(C)(=O)=O)CC1 ZINC000280322908 530919605 /nfs/dbraw/zinc/91/96/05/530919605.db2.gz UBFMETPIUAJZMV-UHFFFAOYSA-N 0 0 392.411 0.237 20 5 GCBDRN COC[C@H](CO)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000280176310 530919865 /nfs/dbraw/zinc/91/98/65/530919865.db2.gz HOIKUBCZNNKOIW-NSHDSACASA-N 0 0 375.403 0.035 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([S@](C)=O)CCC1 ZINC000280794205 530920302 /nfs/dbraw/zinc/92/03/02/530920302.db2.gz QYRUIRLDULMEFL-DEOSSOPVSA-N 0 0 390.439 0.961 20 5 GCBDRN COC(=O)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)O ZINC000470649312 530920711 /nfs/dbraw/zinc/92/07/11/530920711.db2.gz KXADDWNMIXGKPD-KRTXAFLBSA-N 0 0 375.175 0.938 20 5 GCBDRN O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000332089864 530920808 /nfs/dbraw/zinc/92/08/08/530920808.db2.gz KQMYWONNYCWXSV-JTQLQIEISA-N 0 0 375.428 0.668 20 5 GCBDRN Cc1nc(S(=O)(=O)N2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)cs1 ZINC000470915469 530921283 /nfs/dbraw/zinc/92/12/83/530921283.db2.gz DNCOYKYEZYRUQY-UHFFFAOYSA-N 0 0 386.459 0.600 20 5 GCBDRN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSCCCO ZINC000281127183 530921465 /nfs/dbraw/zinc/92/14/65/530921465.db2.gz YALMDFFKKKGIBZ-UHFFFAOYSA-N 0 0 377.444 0.105 20 5 GCBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCN(CCO)CC2)c1 ZINC000156216117 530922050 /nfs/dbraw/zinc/92/20/50/530922050.db2.gz VKBNSQDBLKKBNY-UHFFFAOYSA-N 0 0 394.247 0.656 20 5 GCBDRN CS(=O)(=O)C1(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000281271893 530922125 /nfs/dbraw/zinc/92/21/25/530922125.db2.gz SGGKSJYLHRRKST-UHFFFAOYSA-N 0 0 375.790 0.880 20 5 GCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCOCCF ZINC000595872133 530922241 /nfs/dbraw/zinc/92/22/41/530922241.db2.gz CMRHYNQFAJJNCX-UHFFFAOYSA-N 0 0 378.382 0.158 20 5 GCBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)CCOCCO)c(C)c1[N+](=O)[O-] ZINC000282034297 530922826 /nfs/dbraw/zinc/92/28/26/530922826.db2.gz OKKSVCZNODFIOS-UHFFFAOYSA-N 0 0 377.375 0.749 20 5 GCBDRN CS(=O)(=O)C1(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281549926 530922872 /nfs/dbraw/zinc/92/28/72/530922872.db2.gz KGZKXBXHBRKBGF-UHFFFAOYSA-N 0 0 390.439 0.452 20 5 GCBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCC2(CO)COC2)c1 ZINC000269733887 530922926 /nfs/dbraw/zinc/92/29/26/530922926.db2.gz ZNDKWCZSIVOQKP-UHFFFAOYSA-N 0 0 381.204 0.645 20 5 GCBDRN C[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)NCCF ZINC000282188730 530923452 /nfs/dbraw/zinc/92/34/52/530923452.db2.gz DYHIGXITBYIFJO-MRVPVSSYSA-N 0 0 377.350 0.119 20 5 GCBDRN CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493818494 530934506 /nfs/dbraw/zinc/93/45/06/530934506.db2.gz LRTSTHIBGZHELR-GFCCVEGCSA-N 0 0 391.471 0.914 20 5 GCBDRN COC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H](C)O1 ZINC000282413781 530924066 /nfs/dbraw/zinc/92/40/66/530924066.db2.gz DENAYKKAGYECBN-BXKDBHETSA-N 0 0 376.362 0.993 20 5 GCBDRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472634195 530924143 /nfs/dbraw/zinc/92/41/43/530924143.db2.gz ZUFRJVWWBQRMNT-BDAKNGLRSA-N 0 0 375.378 0.952 20 5 GCBDRN C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000472634197 530924203 /nfs/dbraw/zinc/92/42/03/530924203.db2.gz ZUFRJVWWBQRMNT-DTWKUNHWSA-N 0 0 375.378 0.952 20 5 GCBDRN COCC[C@@H](COC)NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000392866988 530924213 /nfs/dbraw/zinc/92/42/13/530924213.db2.gz HXBOFNSKTCABJX-JTQLQIEISA-N 0 0 375.403 0.332 20 5 GCBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000619499640 530934529 /nfs/dbraw/zinc/93/45/29/530934529.db2.gz FYRUPGJABWHQBN-JTQLQIEISA-N 0 0 378.428 0.801 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)CCCO)c(Br)c1 ZINC000269742694 530924718 /nfs/dbraw/zinc/92/47/18/530924718.db2.gz FIXXBSOEAZDORL-UHFFFAOYSA-N 0 0 383.220 0.723 20 5 GCBDRN CNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000282888995 530924956 /nfs/dbraw/zinc/92/49/56/530924956.db2.gz KJGSMENTABXNAO-LLVKDONJSA-N 0 0 388.471 0.684 20 5 GCBDRN Cc1nn(C)c(N2CCN(S(=O)(=O)CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000474159707 530925361 /nfs/dbraw/zinc/92/53/61/530925361.db2.gz OHIHUFMZMAJZCT-UHFFFAOYSA-N 0 0 375.451 0.514 20 5 GCBDRN C[C@H](CS(C)(=O)=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000473473153 530925389 /nfs/dbraw/zinc/92/53/89/530925389.db2.gz MDUWXZIAZXWCCR-SNVBAGLBSA-N 0 0 389.455 0.621 20 5 GCBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN1CCNC(=O)C1 ZINC000283972923 530925627 /nfs/dbraw/zinc/92/56/27/530925627.db2.gz AFVWWWBBNFWIIA-UHFFFAOYSA-N 0 0 385.218 0.827 20 5 GCBDRN CN(C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000271723722 530925938 /nfs/dbraw/zinc/92/59/38/530925938.db2.gz LJNZNNOXZRNNFF-UHFFFAOYSA-N 0 0 395.235 0.907 20 5 GCBDRN CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCO1 ZINC000285051139 530926878 /nfs/dbraw/zinc/92/68/78/530926878.db2.gz CTNJFSNMMGEQSN-SNVBAGLBSA-N 0 0 395.796 0.913 20 5 GCBDRN CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000299447948 530927797 /nfs/dbraw/zinc/92/77/97/530927797.db2.gz YILUQNKQICXEFP-SNVBAGLBSA-N 0 0 395.434 0.684 20 5 GCBDRN CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000269791870 530928110 /nfs/dbraw/zinc/92/81/10/530928110.db2.gz KAAOFKIXADQPFY-LLVKDONJSA-N 0 0 393.849 0.562 20 5 GCBDRN CC(C)(NS(=O)(=O)N1CCS(=O)(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000490444026 530928686 /nfs/dbraw/zinc/92/86/86/530928686.db2.gz LETUHDTZMOYUNP-UHFFFAOYSA-N 0 0 377.444 0.395 20 5 GCBDRN CC(C)NS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000299415509 530961989 /nfs/dbraw/zinc/96/19/89/530961989.db2.gz UBKQALBAMJYDII-UHFFFAOYSA-N 0 0 385.851 0.854 20 5 GCBDRN Cc1c(C(=O)N2CC[C@H](O)C(F)(F)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000598002141 530962052 /nfs/dbraw/zinc/96/20/52/530962052.db2.gz VUYSGIREIROUJS-NSHDSACASA-N 0 0 379.341 0.393 20 5 GCBDRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598028517 530962626 /nfs/dbraw/zinc/96/26/26/530962626.db2.gz OFHBMEVKKUPLND-ONGXEEELSA-N 0 0 393.215 0.899 20 5 GCBDRN C[C@H]1CC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CS1(=O)=O ZINC000598192101 530964343 /nfs/dbraw/zinc/96/43/43/530964343.db2.gz LNEPBHJLBVTYSI-GXSJLCMTSA-N 0 0 390.439 0.694 20 5 GCBDRN CNS(=O)(=O)c1ccc(N2CCC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000603628904 530935328 /nfs/dbraw/zinc/93/53/28/530935328.db2.gz HAASCVHIEUCOPA-JTQLQIEISA-N 0 0 392.459 0.021 20 5 GCBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000030334777 530935354 /nfs/dbraw/zinc/93/53/54/530935354.db2.gz YWPDRDDNJHPYKM-UHFFFAOYSA-N 0 0 392.459 0.016 20 5 GCBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000030333414 530935675 /nfs/dbraw/zinc/93/56/75/530935675.db2.gz FUVJVHDRRUZUTF-UHFFFAOYSA-N 0 0 377.444 0.606 20 5 GCBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000603631678 530935688 /nfs/dbraw/zinc/93/56/88/530935688.db2.gz UDYFQOHWONKKOU-UHFFFAOYSA-N 0 0 379.460 0.899 20 5 GCBDRN COc1ccc(S(=O)(=O)NCCCN(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000030430910 530936063 /nfs/dbraw/zinc/93/60/63/530936063.db2.gz HZOMWWYGNNDPON-UHFFFAOYSA-N 0 0 381.432 0.163 20 5 GCBDRN CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000494786012 530936409 /nfs/dbraw/zinc/93/64/09/530936409.db2.gz CUGRIMBZLQVGGT-LLVKDONJSA-N 0 0 377.444 0.606 20 5 GCBDRN O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)c1[nH]ncc1[N+](=O)[O-] ZINC000495312875 530937399 /nfs/dbraw/zinc/93/73/99/530937399.db2.gz QPKZAXVMTFVZSX-UHFFFAOYSA-N 0 0 379.807 0.741 20 5 GCBDRN CS(=O)(=O)N1CCC(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000604531902 530938556 /nfs/dbraw/zinc/93/85/56/530938556.db2.gz JTCCJMQQZSMOEP-UHFFFAOYSA-N 0 0 392.459 0.326 20 5 GCBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000619499692 530938730 /nfs/dbraw/zinc/93/87/30/530938730.db2.gz MIJJMDQYFYFSJJ-SNVBAGLBSA-N 0 0 378.428 0.801 20 5 GCBDRN CNS(=O)(=O)c1cccc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000604513139 530938961 /nfs/dbraw/zinc/93/89/61/530938961.db2.gz JXRZSKDDYKJLBH-UHFFFAOYSA-N 0 0 385.423 0.981 20 5 GCBDRN CS(=O)(=O)c1cccc(N2CCC(CS(N)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000497539210 530939723 /nfs/dbraw/zinc/93/97/23/530939723.db2.gz AYPQYXMJRLFFPM-UHFFFAOYSA-N 0 0 377.444 0.503 20 5 GCBDRN O=C(CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])N1CCOCC1 ZINC000271905660 530940736 /nfs/dbraw/zinc/94/07/36/530940736.db2.gz RFARJLLCJPVILH-UHFFFAOYSA-N 0 0 379.341 0.862 20 5 GCBDRN COc1cc(C(=O)NC[C@H](C)S(N)(=O)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000507705407 530940871 /nfs/dbraw/zinc/94/08/71/530940871.db2.gz WVBQIHUHARXFDY-LURJTMIESA-N 0 0 383.329 0.612 20 5 GCBDRN CS(=O)(=O)CC1(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000596317710 530941538 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O=C([O-])[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000833166792 604996969 /nfs/dbraw/zinc/99/69/69/604996969.db2.gz UQXYAWLSDIOLQF-CQSZACIVSA-N 0 0 380.382 0.684 20 5 GCBDRN O=C([O-])[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000833164491 604998231 /nfs/dbraw/zinc/99/82/31/604998231.db2.gz ACLKDPHGRLRLLU-AWEZNQCLSA-N 0 0 380.382 0.684 20 5 GCBDRN Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000822609566 606165673 /nfs/dbraw/zinc/16/56/73/606165673.db2.gz QGLHSAMPYZXZEU-UHFFFAOYSA-N 0 0 398.387 0.863 20 5 GCBDRN CC(C)OCCOC[C@@H](O)CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820146853 606238738 /nfs/dbraw/zinc/23/87/38/606238738.db2.gz SKAIYBHMTPOZBN-LBPRGKRZSA-N 0 0 381.393 0.409 20 5 GCBDRN O=C(CSCc1ccc(-c2nn[nH]n2)cc1)OCCn1cnc([N+](=O)[O-])n1 ZINC000823060738 606400444 /nfs/dbraw/zinc/40/04/44/606400444.db2.gz JSWOHBMYBWPKEX-UHFFFAOYSA-N 0 0 390.385 0.843 20 5 GCBDRN C[C@]1([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)NC(=O)NC1=O ZINC000820613145 606433985 /nfs/dbraw/zinc/43/39/85/606433985.db2.gz ULGZQLSRDVMJAZ-QLJPJBMISA-N 0 0 386.372 0.589 20 5 GCBDRN C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820767263 606472660 /nfs/dbraw/zinc/47/26/60/606472660.db2.gz HELSGFHPCFTFRB-SKDRFNHKSA-N 0 0 381.418 0.857 20 5 GCBDRN CCCS(=O)(=O)N1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821139115 606697834 /nfs/dbraw/zinc/69/78/34/606697834.db2.gz OQHWPVHNKUEBMO-UHFFFAOYSA-N 0 0 396.433 0.786 20 5 GCBDRN COc1ccnc(N2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)n1 ZINC000821904098 606701240 /nfs/dbraw/zinc/70/12/40/606701240.db2.gz PXHACLHTIHXNQB-UHFFFAOYSA-N 0 0 384.360 0.295 20 5 GCBDRN COc1cc(C)nc(N2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)n1 ZINC000821712132 606707700 /nfs/dbraw/zinc/70/77/00/606707700.db2.gz DEQHCZSGZFLLTB-UHFFFAOYSA-N 0 0 398.387 0.604 20 5 GCBDRN CCO[C@H]1C[C@H](O)C12CCN(c1nccc(-c3nn[nH]n3)c1[N+](=O)[O-])CC2 ZINC000821358415 606712432 /nfs/dbraw/zinc/71/24/32/606712432.db2.gz ISSGMIWOCBRLSH-RYUDHWBXSA-N 0 0 375.389 0.926 20 5 GCBDRN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821933243 606719734 /nfs/dbraw/zinc/71/97/34/606719734.db2.gz YKJDHJLDDAMJKP-PSASIEDQSA-N 0 0 382.406 0.300 20 5 GCBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCO[C@@H](CNc2cccnn2)C1 ZINC000823629795 606789467 /nfs/dbraw/zinc/78/94/67/606789467.db2.gz HGWODFYDYYPOFK-LBPRGKRZSA-N 0 0 383.372 0.882 20 5 GCBDRN Cc1cc(N2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000822207264 606807843 /nfs/dbraw/zinc/80/78/43/606807843.db2.gz PXEHIIPXWLXECR-NSHDSACASA-N 0 0 382.388 0.983 20 5 GCBDRN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821932896 606807975 /nfs/dbraw/zinc/80/79/75/606807975.db2.gz TXOUPFHTSHJHQG-BXKDBHETSA-N 0 0 381.418 0.905 20 5 GCBDRN 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Cc1ccc(S(=O)(=O)NC2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000365688889 1188131424 /nfs/dbraw/zinc/13/14/24/1188131424.db2.gz MUIACPPLFQIPJY-UHFFFAOYSA-N 0 0 379.398 0.289 20 5 GCBDRN COc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000377788945 1188138397 /nfs/dbraw/zinc/13/83/97/1188138397.db2.gz DNRQQAIRFMRJKQ-LLVKDONJSA-N 0 0 381.414 0.894 20 5 GCBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000013847695 1188145915 /nfs/dbraw/zinc/14/59/15/1188145915.db2.gz QWRMOLMWXAQHTR-UHFFFAOYSA-N 0 0 389.397 0.543 20 5 GCBDRN CC[C@@]1(C)NC(=O)N(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000278821804 1189382818 /nfs/dbraw/zinc/38/28/18/1189382818.db2.gz PSUDNQCVFHPDOS-OAHLLOKOSA-N 0 0 397.775 0.730 20 5 GCBDRN CCCc1n[nH]c(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1[N+](=O)[O-] ZINC000377965237 1189393322 /nfs/dbraw/zinc/39/33/22/1189393322.db2.gz VUOYUWOWLLDZOD-MRXNPFEDSA-N 0 0 378.389 0.721 20 5 GCBDRN CC(=O)N1CC[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000472927090 1189401642 /nfs/dbraw/zinc/40/16/42/1189401642.db2.gz OQXRUEGKPRBQKX-LBPRGKRZSA-N 0 0 384.414 0.000 20 5 GCBDRN O=C(CCc1ncccn1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000462129659 1189404576 /nfs/dbraw/zinc/40/45/76/1189404576.db2.gz RDSQUKGFAISJAS-UHFFFAOYSA-N 0 0 379.398 0.412 20 5 GCBDRN COCCCNC(=O)[C@H](C)N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000103462599 1189414321 /nfs/dbraw/zinc/41/43/21/1189414321.db2.gz SFTRRIKPTBADCY-LBPRGKRZSA-N 0 0 396.473 0.967 20 5 GCBDRN CNS(=O)(=O)c1ccc(N[C@H]2CCc3nc(COC)nn3C2)c([N+](=O)[O-])c1 ZINC000378100039 1189414920 /nfs/dbraw/zinc/41/49/20/1189414920.db2.gz KPEVGMZMYAFKRH-JTQLQIEISA-N 0 0 396.429 0.668 20 5 GCBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(OCCO)CCOCC1 ZINC000290572383 1189415809 /nfs/dbraw/zinc/41/58/09/1189415809.db2.gz TWZAXAISIYHNEE-UHFFFAOYSA-N 0 0 395.412 0.770 20 5 GCBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000378119896 1189419299 /nfs/dbraw/zinc/41/92/99/1189419299.db2.gz LFGQIDWCALCVME-HIFRSBDPSA-N 0 0 377.353 0.909 20 5 GCBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCN([C@H]2CCOC2)CC1 ZINC000378120557 1189419468 /nfs/dbraw/zinc/41/94/68/1189419468.db2.gz XEIVEDCSMDKFIX-LBPRGKRZSA-N 0 0 396.831 0.911 20 5 GCBDRN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000416089560 1189430055 /nfs/dbraw/zinc/43/00/55/1189430055.db2.gz FVBJNJKINKFCKV-GFCCVEGCSA-N 0 0 379.369 0.806 20 5 GCBDRN Cc1ccc([N+](=O)[O-])c(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)n1 ZINC000378161690 1189430819 /nfs/dbraw/zinc/43/08/19/1189430819.db2.gz OKIQXXOFXZQTAS-UHFFFAOYSA-N 0 0 385.446 0.752 20 5 GCBDRN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000416100053 1189433207 /nfs/dbraw/zinc/43/32/07/1189433207.db2.gz USADIWKXJYMEOW-ZNMIVQPWSA-N 0 0 375.381 0.979 20 5 GCBDRN CNS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000412322007 1189434153 /nfs/dbraw/zinc/43/41/53/1189434153.db2.gz AKTCUMOFOAFIOP-UHFFFAOYSA-N 0 0 386.430 0.604 20 5 GCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CO)Cc1cccnc1 ZINC000416213768 1189458530 /nfs/dbraw/zinc/45/85/30/1189458530.db2.gz IPWNKJYJKSKULA-ZIAGYGMSSA-N 0 0 376.417 0.942 20 5 GCBDRN COC(=O)CNC(=O)c1ccc(N2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000378282753 1189461605 /nfs/dbraw/zinc/46/16/05/1189461605.db2.gz BFYUHAQMDOMQLA-AWEZNQCLSA-N 0 0 392.412 0.409 20 5 GCBDRN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1F ZINC000412351288 1189491300 /nfs/dbraw/zinc/49/13/00/1189491300.db2.gz BMCQGDMBNGHPHE-JTQLQIEISA-N 0 0 389.405 0.777 20 5 GCBDRN CCOC(=O)c1ccc(N2CC(NC(=O)c3cc([N+](=O)[O-])cnc3N)C2)nc1 ZINC000545451200 1189493052 /nfs/dbraw/zinc/49/30/52/1189493052.db2.gz TYICJVKJANHWNR-UHFFFAOYSA-N 0 0 386.368 0.762 20 5 GCBDRN Cc1cc(S(=O)(=O)NCCC(=O)N2CCN(C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416366125 1189499174 /nfs/dbraw/zinc/49/91/74/1189499174.db2.gz BWGGTYYJHJVFEP-UHFFFAOYSA-N 0 0 384.458 0.654 20 5 GCBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC000378445944 1189510355 /nfs/dbraw/zinc/51/03/55/1189510355.db2.gz WZLBSEKOPBJUCR-UHFFFAOYSA-N 0 0 399.469 0.751 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000416418577 1189515473 /nfs/dbraw/zinc/51/54/73/1189515473.db2.gz RNIFKLFGPHVNMW-PWSUYJOCSA-N 0 0 385.398 0.704 20 5 GCBDRN O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCN([C@H]2CCOC2)CC1 ZINC000378476259 1189516118 /nfs/dbraw/zinc/51/61/18/1189516118.db2.gz QOKRQYFFZOUMFB-HNNXBMFYSA-N 0 0 390.440 0.978 20 5 GCBDRN COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000378486155 1189517694 /nfs/dbraw/zinc/51/76/94/1189517694.db2.gz SOCKWMWCVLQMSX-ZFWWWQNUSA-N 0 0 389.368 0.968 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)cc1[N+](=O)[O-] ZINC000416441016 1189518531 /nfs/dbraw/zinc/51/85/31/1189518531.db2.gz PZCWBBPTYAMFFE-UHFFFAOYSA-N 0 0 385.398 0.800 20 5 GCBDRN COC(=O)Cn1cc(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)nn1 ZINC000416446599 1189519727 /nfs/dbraw/zinc/51/97/27/1189519727.db2.gz PYDUFQRJHFDKQU-UHFFFAOYSA-N 0 0 383.386 0.455 20 5 GCBDRN COC(=O)c1cc(S(=O)(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cn1C ZINC000416453562 1189521162 /nfs/dbraw/zinc/52/11/62/1189521162.db2.gz FZVNFTROYWPLSR-UHFFFAOYSA-N 0 0 380.382 0.862 20 5 GCBDRN O=[N+]([O-])c1ccc2[nH]c(CNS(=O)(=O)c3cnn4c3OCCC4)nc2c1 ZINC000416467421 1189526035 /nfs/dbraw/zinc/52/60/35/1189526035.db2.gz BTDBPODTTIKCKE-UHFFFAOYSA-N 0 0 378.370 0.929 20 5 GCBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c2nonc21 ZINC000378531101 1189527140 /nfs/dbraw/zinc/52/71/40/1189527140.db2.gz GUACIXSGPARZIV-LLVKDONJSA-N 0 0 397.413 0.762 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)NCCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000416482638 1189531083 /nfs/dbraw/zinc/53/10/83/1189531083.db2.gz ZDNUKVIFEPWWNQ-UHFFFAOYSA-N 0 0 388.398 0.591 20 5 GCBDRN O=C1NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]12 ZINC000416492756 1189531555 /nfs/dbraw/zinc/53/15/55/1189531555.db2.gz FBMJJJSQKAWZSU-OCAPTIKFSA-N 0 0 393.299 0.507 20 5 GCBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 ZINC000378544207 1189532005 /nfs/dbraw/zinc/53/20/05/1189532005.db2.gz RXLIQIQCUPGBRV-SECBINFHSA-N 0 0 383.386 0.494 20 5 GCBDRN CN(C)c1ccc(S(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000416493387 1189532996 /nfs/dbraw/zinc/53/29/96/1189532996.db2.gz DOQLVKOWXNKASX-UHFFFAOYSA-N 0 0 392.441 0.962 20 5 GCBDRN CCN(C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(CO)c1)[C@H]1CCS(=O)(=O)C1 ZINC000431880553 1189535781 /nfs/dbraw/zinc/53/57/81/1189535781.db2.gz HQZSDXSKIMACQO-YPMHNXCESA-N 0 0 386.426 0.890 20 5 GCBDRN CCN(C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(CO)c1)[C@H]1CCS(=O)(=O)C1 ZINC000431880550 1189535924 /nfs/dbraw/zinc/53/59/24/1189535924.db2.gz HQZSDXSKIMACQO-AAEUAGOBSA-N 0 0 386.426 0.890 20 5 GCBDRN O=C1[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]2CCCCN12 ZINC000416515806 1189537275 /nfs/dbraw/zinc/53/72/75/1189537275.db2.gz NKNFEEKEPOVRLM-MNOVXSKESA-N 0 0 397.409 0.798 20 5 GCBDRN COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000416512048 1189537516 /nfs/dbraw/zinc/53/75/16/1189537516.db2.gz OKXKSAXRHWXLHB-CABZTGNLSA-N 0 0 381.366 0.440 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)NC[C@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000416524016 1189540726 /nfs/dbraw/zinc/54/07/26/1189540726.db2.gz KPCRHBILKUNJBZ-GHMZBOCLSA-N 0 0 388.398 0.305 20 5 GCBDRN C[C@@H]1C[C@H](O)CN1C(=O)c1cc(C(=O)N2C[C@H](O)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000472999814 1189543220 /nfs/dbraw/zinc/54/32/20/1189543220.db2.gz LNOYZRDLRCIIAQ-NUMJRFHMSA-N 0 0 377.397 0.785 20 5 GCBDRN COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000416590683 1189557775 /nfs/dbraw/zinc/55/77/75/1189557775.db2.gz SQMUXFAFVBSAGA-NSHDSACASA-N 0 0 387.414 0.329 20 5 GCBDRN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](c3nnc(C)[nH]3)C2)cc1[N+](=O)[O-] ZINC000416621439 1189562593 /nfs/dbraw/zinc/56/25/93/1189562593.db2.gz ZCLGLIJIBWFHPH-SNVBAGLBSA-N 0 0 395.397 0.986 20 5 GCBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@H](CO)[C@H]1CCCOC1)OCCO2 ZINC000416619768 1189562748 /nfs/dbraw/zinc/56/27/48/1189562748.db2.gz XXHYMOJIOYGEJQ-WDEREUQCSA-N 0 0 388.398 0.432 20 5 GCBDRN COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000416655055 1189564829 /nfs/dbraw/zinc/56/48/29/1189564829.db2.gz HQEOGYFJHKSEAW-GFCCVEGCSA-N 0 0 399.425 0.654 20 5 GCBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@H]1CCN(CC(F)F)C1)OCCO2 ZINC000416662755 1189566719 /nfs/dbraw/zinc/56/67/19/1189566719.db2.gz PKOPDYCWFROYAD-VIFPVBQESA-N 0 0 393.368 0.984 20 5 GCBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@@H]1CCN(CC(F)F)C1)OCCO2 ZINC000416662754 1189567078 /nfs/dbraw/zinc/56/70/78/1189567078.db2.gz PKOPDYCWFROYAD-SECBINFHSA-N 0 0 393.368 0.984 20 5 GCBDRN CN(C)C(=O)CCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000517682036 1189569851 /nfs/dbraw/zinc/56/98/51/1189569851.db2.gz IZGYEOYLXWZREQ-UHFFFAOYSA-N 0 0 397.457 0.992 20 5 GCBDRN COC(=O)[C@H]1CC[C@@H](C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000290743794 1189578923 /nfs/dbraw/zinc/57/89/23/1189578923.db2.gz PDXAZZFABXWQKN-QWHCGFSZSA-N 0 0 386.382 0.205 20 5 GCBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1C ZINC000278827799 1189613065 /nfs/dbraw/zinc/61/30/65/1189613065.db2.gz UOKASVRWELSNDF-OAHLLOKOSA-N 0 0 382.398 0.574 20 5 GCBDRN CC[C@@H](CNS(C)(=O)=O)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000452540718 1189626477 /nfs/dbraw/zinc/62/64/77/1189626477.db2.gz JFXYBTMJWJTNMO-NSHDSACASA-N 0 0 396.425 0.966 20 5 GCBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCO[C@H](CF)C1 ZINC000412456175 1189628584 /nfs/dbraw/zinc/62/85/84/1189628584.db2.gz XJLQDEWAXDHJMO-CYBMUJFWSA-N 0 0 389.405 0.850 20 5 GCBDRN CN(Cc1nccs1)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000584706196 1189634194 /nfs/dbraw/zinc/63/41/94/1189634194.db2.gz JXZWADYCHZUNKQ-UHFFFAOYSA-N 0 0 390.425 0.754 20 5 GCBDRN C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)(N2CCOCC2)CC1 ZINC000412473179 1189635176 /nfs/dbraw/zinc/63/51/76/1189635176.db2.gz JXSZIHDUYFBUST-UHFFFAOYSA-N 0 0 378.429 0.827 20 5 GCBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000053324547 1189688147 /nfs/dbraw/zinc/68/81/47/1189688147.db2.gz MPQZYLPEMVQEHE-UHFFFAOYSA-N 0 0 387.414 0.720 20 5 GCBDRN CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000584855031 1189693146 /nfs/dbraw/zinc/69/31/46/1189693146.db2.gz JATKYECTZPEZFL-CQSZACIVSA-N 0 0 390.404 0.269 20 5 GCBDRN C[C@H](CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)S(C)(=O)=O ZINC000584857958 1189693296 /nfs/dbraw/zinc/69/32/96/1189693296.db2.gz ZIIVBVZQTUJQAL-LLVKDONJSA-N 0 0 383.426 0.635 20 5 GCBDRN CCCn1c(N)c(N(CCOC)C(=O)c2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O ZINC000014911749 1189712408 /nfs/dbraw/zinc/71/24/08/1189712408.db2.gz UNNFMTKFNGTJJC-UHFFFAOYSA-N 0 0 391.384 0.730 20 5 GCBDRN 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ZINC000053572675 1189756234 /nfs/dbraw/zinc/75/62/34/1189756234.db2.gz KOYOGYISXVPCDA-UHFFFAOYSA-N 0 0 385.380 0.782 20 5 GCBDRN O=C(C1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000024638245 1189758030 /nfs/dbraw/zinc/75/80/30/1189758030.db2.gz WENXGZSGNYUQHE-UHFFFAOYSA-N 0 0 383.426 0.854 20 5 GCBDRN Cn1cc(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cn1 ZINC000053583561 1189759150 /nfs/dbraw/zinc/75/91/50/1189759150.db2.gz XVJFGZOYCUQPHJ-UHFFFAOYSA-N 0 0 381.414 0.961 20 5 GCBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000500293515 1189764381 /nfs/dbraw/zinc/76/43/81/1189764381.db2.gz LBMQJSSFTDSNRP-LBPRGKRZSA-N 0 0 385.446 0.347 20 5 GCBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000364422385 1189798367 /nfs/dbraw/zinc/79/83/67/1189798367.db2.gz SYIKWXNUIUIVEC-ZDUSSCGKSA-N 0 0 382.442 0.488 20 5 GCBDRN CN(C)C(=O)CN(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000015130114 1189802660 /nfs/dbraw/zinc/80/26/60/1189802660.db2.gz 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ZINC000426883501 530894319 /nfs/dbraw/zinc/89/43/19/530894319.db2.gz OFIZQFLZDHMSIN-SNVBAGLBSA-N 0 0 392.459 0.021 20 5 GCBDRN CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000271234060 530894606 /nfs/dbraw/zinc/89/46/06/530894606.db2.gz BIQOVPLFIXENKE-LLVKDONJSA-N 0 0 393.443 0.306 20 5 GCBDRN CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000271245793 530894968 /nfs/dbraw/zinc/89/49/68/530894968.db2.gz GIMPAHAKCFBOEL-LLVKDONJSA-N 0 0 377.444 0.606 20 5 GCBDRN CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000374502655 530895359 /nfs/dbraw/zinc/89/53/59/530895359.db2.gz GHIBPQQINCIHQR-JTQLQIEISA-N 0 0 395.434 0.745 20 5 GCBDRN CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000271265890 530895861 /nfs/dbraw/zinc/89/58/61/530895861.db2.gz MBXIZFAETREWDX-SECBINFHSA-N 0 0 397.862 0.951 20 5 GCBDRN COc1ccc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000068940874 530896504 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0.377 20 5 GCBDRN O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCc1ccccc1[N+](=O)[O-] ZINC000053867265 530929956 /nfs/dbraw/zinc/92/99/56/530929956.db2.gz ZAJKQQWGFSPJLZ-UHFFFAOYSA-N 0 0 383.158 0.524 20 5 GCBDRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600097308 530930043 /nfs/dbraw/zinc/93/00/43/530930043.db2.gz CAPKDWUTJASAOL-PSASIEDQSA-N 0 0 393.215 0.899 20 5 GCBDRN CS[C@H](C)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269811396 530930784 /nfs/dbraw/zinc/93/07/84/530930784.db2.gz FRDLXANEEANTPM-SECBINFHSA-N 0 0 376.460 0.912 20 5 GCBDRN O=[N+]([O-])c1cncc(Cl)c1NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000596120999 530931523 /nfs/dbraw/zinc/93/15/23/530931523.db2.gz HVPBSWHZEPDIHW-JTQLQIEISA-N 0 0 378.838 0.966 20 5 GCBDRN Cc1cc(S(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000271790090 530931782 /nfs/dbraw/zinc/93/17/82/530931782.db2.gz UOOWETHBKXABOA-NSHDSACASA-N 0 0 392.459 0.097 20 5 GCBDRN Cc1nc(S(=O)(=O)N2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)cs1 ZINC000596112323 530931833 /nfs/dbraw/zinc/93/18/33/530931833.db2.gz NSHYJKQNEJKUNZ-UHFFFAOYSA-N 0 0 384.443 0.848 20 5 GCBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000486670828 530932100 /nfs/dbraw/zinc/93/21/00/530932100.db2.gz MPIKGKGYOLFKGC-LBPRGKRZSA-N 0 0 377.444 0.599 20 5 GCBDRN NS(=O)(=O)c1ccc(NCCS(=O)(=O)NCC2CCC2)cc1[N+](=O)[O-] ZINC000596121983 530932315 /nfs/dbraw/zinc/93/23/15/530932315.db2.gz QXGOFKIWTWJMPO-UHFFFAOYSA-N 0 0 392.459 0.374 20 5 GCBDRN O=[N+]([O-])c1cccc(Cl)c1CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000492415914 530932599 /nfs/dbraw/zinc/93/25/99/530932599.db2.gz IGCFVDYRJWEGKQ-HUUCEWRRSA-N 0 0 389.861 0.524 20 5 GCBDRN COC(=O)[C@H](CO)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000271808603 530932873 /nfs/dbraw/zinc/93/28/73/530932873.db2.gz XZIVKRDXOCIPDI-VIFPVBQESA-N 0 0 383.176 0.170 20 5 GCBDRN COC(=O)c1nc(N[C@H]2CCSC2)nc(N[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000596140487 530933243 /nfs/dbraw/zinc/93/32/43/530933243.db2.gz YUJIHVAVOAGOAE-BDAKNGLRSA-N 0 0 385.471 0.850 20 5 GCBDRN Cc1cc(C)c(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000493497483 530933427 /nfs/dbraw/zinc/93/34/27/530933427.db2.gz CZPREKREIOFESY-UHFFFAOYSA-N 0 0 391.471 0.914 20 5 GCBDRN CCN(CC)S(=O)(=O)c1ccc(NC[C@@H](C)S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000502777726 530933804 /nfs/dbraw/zinc/93/38/04/530933804.db2.gz CTKOLVVQOYIELW-SNVBAGLBSA-N 0 0 394.475 0.714 20 5 GCBDRN CS(=O)(=O)c1nnc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000503161931 530934060 /nfs/dbraw/zinc/93/40/60/530934060.db2.gz PKJZBRDJUGQJJU-SECBINFHSA-N 0 0 384.443 0.931 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)NC[C@@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000493659897 530934132 /nfs/dbraw/zinc/93/41/32/530934132.db2.gz QSMCBSNAGGZZOX-VIFPVBQESA-N 0 0 396.418 0.988 20 5 GCBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCNS(=O)(=O)NC(C)C ZINC000276944299 530912072 /nfs/dbraw/zinc/91/20/72/530912072.db2.gz BASGIOSLDZVTFA-UHFFFAOYSA-N 0 0 398.438 0.153 20 5 GCBDRN C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS1(=O)=O ZINC000277003085 530912224 /nfs/dbraw/zinc/91/22/24/530912224.db2.gz AOSQZEWKFOCBOQ-LBPRGKRZSA-N 0 0 376.456 0.878 20 5 GCBDRN Cn1cc([C@H]2C[S@](=O)CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000277481625 530914032 /nfs/dbraw/zinc/91/40/32/530914032.db2.gz CMTYJBQMPIWNNA-JBEBIEQOSA-N 0 0 384.439 0.823 20 5 GCBDRN CC(C)NS(=O)(=O)NCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000277648745 530914321 /nfs/dbraw/zinc/91/43/21/530914321.db2.gz UFIZABZJIAMZOY-UHFFFAOYSA-N 0 0 388.431 0.162 20 5 GCBDRN Cc1sc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000467264027 530914450 /nfs/dbraw/zinc/91/44/50/530914450.db2.gz HHBHQKAMMWXGRR-LBPRGKRZSA-N 0 0 389.455 0.977 20 5 GCBDRN CC(=O)NCCNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000277742159 530914476 /nfs/dbraw/zinc/91/44/76/530914476.db2.gz INNWLKPHZMWXNK-UHFFFAOYSA-N 0 0 384.183 0.911 20 5 GCBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(S(N)(=O)=O)CC1 ZINC000277703275 530914485 /nfs/dbraw/zinc/91/44/85/530914485.db2.gz FJKDHDFLGQZGQZ-UHFFFAOYSA-N 0 0 378.794 0.360 20 5 GCBDRN COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467078969 530914501 /nfs/dbraw/zinc/91/45/01/530914501.db2.gz KVUZJRBFCXJUOE-LBPRGKRZSA-N 0 0 378.428 0.899 20 5 GCBDRN CS(=O)(=O)[C@H]1CCCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000277764082 530914543 /nfs/dbraw/zinc/91/45/43/530914543.db2.gz DGOKRRIHPDXMAN-NSHDSACASA-N 0 0 377.444 0.646 20 5 GCBDRN Cc1sc(S(=O)(=O)N2CCC(C(=O)NCCCO)CC2)cc1[N+](=O)[O-] ZINC000467055473 530914724 /nfs/dbraw/zinc/91/47/24/530914724.db2.gz AVRDYKBUGBPDLB-UHFFFAOYSA-N 0 0 391.471 0.864 20 5 GCBDRN Cc1sc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000467394115 530915059 /nfs/dbraw/zinc/91/50/59/530915059.db2.gz OCHXXBFKEDVHGU-UHFFFAOYSA-N 0 0 383.473 0.621 20 5 GCBDRN CS(=O)(=O)[C@H]1CCCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000277984268 530915119 /nfs/dbraw/zinc/91/51/19/530915119.db2.gz MLCOZNMTZMERSK-NSHDSACASA-N 0 0 377.444 0.646 20 5 GCBDRN COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000277981466 530915249 /nfs/dbraw/zinc/91/52/49/530915249.db2.gz UACDXEDOOGPVLN-JTQLQIEISA-N 0 0 378.428 0.659 20 5 GCBDRN Cc1sc(S(=O)(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000467393456 530915537 /nfs/dbraw/zinc/91/55/37/530915537.db2.gz KWNOIVMPRNJWRN-SECBINFHSA-N 0 0 383.473 0.667 20 5 GCBDRN COc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000278092094 530915617 /nfs/dbraw/zinc/91/56/17/530915617.db2.gz KMASGHWJVTZORP-SNVBAGLBSA-N 0 0 378.428 0.801 20 5 GCBDRN CCS(=O)(=O)C1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000278093728 530915631 /nfs/dbraw/zinc/91/56/31/530915631.db2.gz VXJSGHSXFNGZOQ-UHFFFAOYSA-N 0 0 391.471 0.906 20 5 GCBDRN COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000277981471 530915649 /nfs/dbraw/zinc/91/56/49/530915649.db2.gz UACDXEDOOGPVLN-SNVBAGLBSA-N 0 0 378.428 0.659 20 5 GCBDRN NS(=O)(=O)CCN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000467315551 530915685 /nfs/dbraw/zinc/91/56/85/530915685.db2.gz QXQLUKTTWGDASB-UHFFFAOYSA-N 0 0 376.822 0.295 20 5 GCBDRN CC[S@](=O)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000278513899 530916004 /nfs/dbraw/zinc/91/60/04/530916004.db2.gz BSYLDDZITMXTCY-DEOSSOPVSA-N 0 0 389.455 0.196 20 5 GCBDRN O=C1NC(=O)[C@]2(CCCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)N1 ZINC000278766723 530916650 /nfs/dbraw/zinc/91/66/50/530916650.db2.gz ONHALRYZSWSSSC-CYBMUJFWSA-N 0 0 388.789 0.611 20 5 GCBDRN C[C@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[S@](=O)C1 ZINC000278779928 530916924 /nfs/dbraw/zinc/91/69/24/530916924.db2.gz VTAJDJDCUGEJPB-JUZXBQNTSA-N 0 0 390.439 0.755 20 5 GCBDRN O=C1NC(=O)[C@]2(CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)N1 ZINC000278607425 530917018 /nfs/dbraw/zinc/91/70/18/530917018.db2.gz CMGBLCPRHKLPQW-CYBMUJFWSA-N 0 0 388.789 0.611 20 5 GCBDRN CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000330427178 530917061 /nfs/dbraw/zinc/91/70/61/530917061.db2.gz WXAHIKRSFYGXQX-UHFFFAOYSA-N 0 0 376.456 0.976 20 5 GCBDRN CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000330572772 530917317 /nfs/dbraw/zinc/91/73/17/530917317.db2.gz DQVLVTOXVGWBDW-UHFFFAOYSA-N 0 0 376.456 0.976 20 5 GCBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(S(C)(=O)=O)CC1 ZINC000468720501 530917350 /nfs/dbraw/zinc/91/73/50/530917350.db2.gz RGLPPPYRIORBQC-UHFFFAOYSA-N 0 0 377.444 0.834 20 5 GCBDRN COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000468650507 530917420 /nfs/dbraw/zinc/91/74/20/530917420.db2.gz YKRKSHLTYNYTLV-SNVBAGLBSA-N 0 0 386.158 0.471 20 5 GCBDRN CN(Cc1ncnn1CC(F)F)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000278855825 530917453 /nfs/dbraw/zinc/91/74/53/530917453.db2.gz TVTOHQLGTZJQSK-UHFFFAOYSA-N 0 0 376.345 0.735 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCSC[C@@H]1CO ZINC000468984203 530918167 /nfs/dbraw/zinc/91/81/67/530918167.db2.gz JTKZQQCHRNOIFI-JTQLQIEISA-N 0 0 376.412 0.480 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000469180148 530918366 /nfs/dbraw/zinc/91/83/66/530918366.db2.gz DLFLZBYDOMUJIT-SECBINFHSA-N 0 0 392.411 0.094 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000469197937 530918373 /nfs/dbraw/zinc/91/83/73/530918373.db2.gz KATBDIIWHCHESQ-VIFPVBQESA-N 0 0 394.427 0.435 20 5 GCBDRN CCS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000331109918 530918513 /nfs/dbraw/zinc/91/85/13/530918513.db2.gz IDKIBDOXSAHKDY-UHFFFAOYSA-N 0 0 391.471 0.868 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H](CO)C2)c(Br)c1 ZINC000331287403 530918891 /nfs/dbraw/zinc/91/88/91/530918891.db2.gz MSXQJVNFXZGILL-VIFPVBQESA-N 0 0 381.204 0.739 20 5 GCBDRN CCOC(=O)CN(CC(N)=O)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279546234 530918991 /nfs/dbraw/zinc/91/89/91/530918991.db2.gz IWKFABKPGSBBNE-UHFFFAOYSA-N 0 0 375.740 0.807 20 5 GCBDRN COC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000280095613 530919814 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BUNQLYBEOJXJEB-UHFFFAOYSA-N 0 0 399.429 0.577 20 5 GCBDRN COCCc1noc(CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000421004096 1194282929 /nfs/dbraw/zinc/28/29/29/1194282929.db2.gz FLRBNAWMQZFONJ-UHFFFAOYSA-N 0 0 399.429 0.577 20 5 GCBDRN C[C@@H]1COCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000366759332 1194291328 /nfs/dbraw/zinc/29/13/28/1194291328.db2.gz SMRBFVTVIYMAIU-LBPRGKRZSA-N 0 0 386.430 0.551 20 5 GCBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(C)c1 ZINC000421073805 1194292442 /nfs/dbraw/zinc/29/24/42/1194292442.db2.gz URLOJIXOAKJZCJ-UHFFFAOYSA-N 0 0 382.402 0.771 20 5 GCBDRN Cc1noc(NC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000421087703 1194294254 /nfs/dbraw/zinc/29/42/54/1194294254.db2.gz LINAJYFIBWJUPE-UHFFFAOYSA-N 0 0 384.374 0.150 20 5 GCBDRN C[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[S@](=O)C1 ZINC000366779751 1194296268 /nfs/dbraw/zinc/29/62/68/1194296268.db2.gz TXRPXNGUEHKKBI-SKVICXGVSA-N 0 0 379.394 0.418 20 5 GCBDRN CS(=O)(=O)c1ccc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000513742171 1194297107 /nfs/dbraw/zinc/29/71/07/1194297107.db2.gz HBGJOEYFMNTMPV-UHFFFAOYSA-N 0 0 395.315 0.803 20 5 GCBDRN Cc1csc(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000421149169 1194301334 /nfs/dbraw/zinc/30/13/34/1194301334.db2.gz RNIHNHVRCBGPTD-UHFFFAOYSA-N 0 0 390.425 0.720 20 5 GCBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000421252252 1194313846 /nfs/dbraw/zinc/31/38/46/1194313846.db2.gz PTVBPVYCUCQWQZ-GFCCVEGCSA-N 0 0 381.385 0.930 20 5 GCBDRN NC(=O)c1ccc(SCC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c([N+](=O)[O-])c1 ZINC000366892931 1194329485 /nfs/dbraw/zinc/32/94/85/1194329485.db2.gz FPQWHTDJIWOUHF-ZYHUDNBSSA-N 0 0 378.410 0.523 20 5 GCBDRN CCCN1C[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000421603276 1194350849 /nfs/dbraw/zinc/35/08/49/1194350849.db2.gz OHTNIRMEPQDHKK-GFCCVEGCSA-N 0 0 390.396 0.695 20 5 GCBDRN Cn1cc2c(=NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ncnc-2[nH]1 ZINC000502728100 1194351561 /nfs/dbraw/zinc/35/15/61/1194351561.db2.gz QAJKYPWFUSXCNG-UHFFFAOYSA-N 0 0 377.386 0.035 20 5 GCBDRN COc1ccc(C(=O)NCC(=O)N2CCC(n3ccnn3)CC2)cc1[N+](=O)[O-] ZINC000367030485 1194354410 /nfs/dbraw/zinc/35/44/10/1194354410.db2.gz QSGAEROFQDOMHZ-UHFFFAOYSA-N 0 0 388.384 0.788 20 5 GCBDRN COc1ccc(C(=O)NCC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000016510724 1194356344 /nfs/dbraw/zinc/35/63/44/1194356344.db2.gz PZUOEOSVIYPUFE-UHFFFAOYSA-N 0 0 388.380 0.955 20 5 GCBDRN COC(=O)[C@@H]1CN(C)CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000413899067 1194357777 /nfs/dbraw/zinc/35/77/77/1194357777.db2.gz BZWWHBODYVGMTK-LLVKDONJSA-N 0 0 381.385 0.789 20 5 GCBDRN C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000502813279 1194358393 /nfs/dbraw/zinc/35/83/93/1194358393.db2.gz URISSUQTNNRQEE-WDEREUQCSA-N 0 0 375.385 0.849 20 5 GCBDRN COC(=O)C1CCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000502814442 1194358693 /nfs/dbraw/zinc/35/86/93/1194358693.db2.gz XWWPKJNWBOECKJ-UHFFFAOYSA-N 0 0 389.368 0.499 20 5 GCBDRN CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000502817436 1194358937 /nfs/dbraw/zinc/35/89/37/1194358937.db2.gz WSGZQVMVFTZZRW-JTQLQIEISA-N 0 0 389.290 0.469 20 5 GCBDRN CN(C)c1cccc(CNC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000502815068 1194358997 /nfs/dbraw/zinc/35/89/97/1194358997.db2.gz NRYDLOSFZCEQLN-UHFFFAOYSA-N 0 0 397.395 0.865 20 5 GCBDRN CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000502817437 1194359258 /nfs/dbraw/zinc/35/92/58/1194359258.db2.gz WSGZQVMVFTZZRW-SNVBAGLBSA-N 0 0 389.290 0.469 20 5 GCBDRN COC(=O)[C@H]1CN(C)CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000413919553 1194360524 /nfs/dbraw/zinc/36/05/24/1194360524.db2.gz MQADUUZQFDGRJE-LBPRGKRZSA-N 0 0 388.384 0.352 20 5 GCBDRN COC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000413919506 1194360685 /nfs/dbraw/zinc/36/06/85/1194360685.db2.gz MINCDHHWHNQTRB-CQSZACIVSA-N 0 0 387.396 0.957 20 5 GCBDRN CCOC(=O)c1cc(C(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)cc([N+](=O)[O-])c1 ZINC000413917660 1194360709 /nfs/dbraw/zinc/36/07/09/1194360709.db2.gz KHQFDOYBURNUSG-CQSZACIVSA-N 0 0 393.396 0.948 20 5 GCBDRN COC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000413923617 1194362825 /nfs/dbraw/zinc/36/28/25/1194362825.db2.gz RLSUQOBGBLDELO-CYBMUJFWSA-N 0 0 387.396 0.957 20 5 GCBDRN O=C(C[C@@H]1CCS(=O)(=O)C1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000016551107 1194363830 /nfs/dbraw/zinc/36/38/30/1194363830.db2.gz BLUHZWZYNOLQAE-NSHDSACASA-N 0 0 382.394 0.852 20 5 GCBDRN Cc1cc(C(=O)NCC(=O)NC(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000413963958 1194367158 /nfs/dbraw/zinc/36/71/58/1194367158.db2.gz DJPNWQFQUXYKNR-UHFFFAOYSA-N 0 0 378.429 0.860 20 5 GCBDRN COc1ccc(NC(=O)CN2CCC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000041621277 1194367667 /nfs/dbraw/zinc/36/76/67/1194367667.db2.gz NUQBYJGVSUFKQZ-NSHDSACASA-N 0 0 386.430 0.556 20 5 GCBDRN CC[C@@H](C)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000421923237 1194373255 /nfs/dbraw/zinc/37/32/55/1194373255.db2.gz VBCOPXJFNWTGEA-BZPMIXESSA-N 0 0 385.442 0.881 20 5 GCBDRN CCCN1C[C@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000421925487 1194373428 /nfs/dbraw/zinc/37/34/28/1194373428.db2.gz VRCDTBBZIXBGHS-LBPRGKRZSA-N 0 0 398.441 0.248 20 5 GCBDRN CC1(C)CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H](CO)O1 ZINC000421927264 1194373698 /nfs/dbraw/zinc/37/36/98/1194373698.db2.gz RGIHFIWTSXPURS-SNVBAGLBSA-N 0 0 377.353 0.189 20 5 GCBDRN C[C@H]1C[C@@H](CO)CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000421954046 1194374609 /nfs/dbraw/zinc/37/46/09/1194374609.db2.gz BNSWBPOXRVEFNF-QWHCGFSZSA-N 0 0 385.442 0.692 20 5 GCBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccncc1 ZINC000421975630 1194375106 /nfs/dbraw/zinc/37/51/06/1194375106.db2.gz DYXCUINRYMPLSA-UHFFFAOYSA-N 0 0 378.410 0.969 20 5 GCBDRN C[C@@H]1C[C@@H](CO)CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000421973687 1194375381 /nfs/dbraw/zinc/37/53/81/1194375381.db2.gz NYTOYJRSOPKHRK-CHWSQXEVSA-N 0 0 385.442 0.740 20 5 GCBDRN CCn1nncc1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421989131 1194375526 /nfs/dbraw/zinc/37/55/26/1194375526.db2.gz NESFAVQNZPTVJY-UHFFFAOYSA-N 0 0 382.402 0.257 20 5 GCBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[C@H](O)C1 ZINC000421987632 1194375639 /nfs/dbraw/zinc/37/56/39/1194375639.db2.gz LPKWFHWNBFTGGK-OCCSQVGLSA-N 0 0 385.442 0.883 20 5 GCBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[C@@]12CCOC2 ZINC000421985180 1194375820 /nfs/dbraw/zinc/37/58/20/1194375820.db2.gz JIJSOAVYIBQDKB-GDBMZVCRSA-N 0 0 383.426 0.758 20 5 GCBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C(=O)c1cccn1C ZINC000421992372 1194375993 /nfs/dbraw/zinc/37/59/93/1194375993.db2.gz QWUSMYSGJHNWNZ-UHFFFAOYSA-N 0 0 394.409 0.553 20 5 GCBDRN C[C@@H]1CC(=O)N[C@H](C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000421998108 1194376517 /nfs/dbraw/zinc/37/65/17/1194376517.db2.gz ZDMMEDZAENVBQN-FZMZJTMJSA-N 0 0 398.441 0.246 20 5 GCBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000421995858 1194376616 /nfs/dbraw/zinc/37/66/16/1194376616.db2.gz UWWHECWEQBCUKY-GFCCVEGCSA-N 0 0 398.441 0.200 20 5 GCBDRN Cc1c(C(=O)N2CCN(C(=O)C3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000422016260 1194379241 /nfs/dbraw/zinc/37/92/41/1194379241.db2.gz PGYOHFSIJQOJDW-UHFFFAOYSA-N 0 0 382.398 0.203 20 5 GCBDRN C[C@H](Cn1cncn1)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000503079711 1194380200 /nfs/dbraw/zinc/38/02/00/1194380200.db2.gz CCPYFDQJBVKBHM-LLVKDONJSA-N 0 0 382.402 0.060 20 5 GCBDRN COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)Cc1ccc(O)c(F)c1 ZINC000422052295 1194380390 /nfs/dbraw/zinc/38/03/90/1194380390.db2.gz ZXLAXHMTUPUSFZ-JTQLQIEISA-N 0 0 380.332 0.935 20 5 GCBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000016636402 1194380757 /nfs/dbraw/zinc/38/07/57/1194380757.db2.gz SQZISZZQTIWWJO-UHFFFAOYSA-N 0 0 399.473 0.233 20 5 GCBDRN CN(C)C(=O)CCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000503134592 1194394589 /nfs/dbraw/zinc/39/45/89/1194394589.db2.gz APOWNTBDKQMGGT-UHFFFAOYSA-N 0 0 386.430 0.248 20 5 GCBDRN CC[C@@H](O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000422121687 1194395945 /nfs/dbraw/zinc/39/59/45/1194395945.db2.gz GULTXALRKUAWSY-GXTWGEPZSA-N 0 0 385.442 0.883 20 5 GCBDRN CCCN(CC(=O)NC)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000503159473 1194400561 /nfs/dbraw/zinc/40/05/61/1194400561.db2.gz DMKSAQCTBSVQBY-UHFFFAOYSA-N 0 0 386.430 0.248 20 5 GCBDRN Cn1cc([C@@H](O)CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cn1 ZINC000271957310 1194426312 /nfs/dbraw/zinc/42/63/12/1194426312.db2.gz SOEKCOZAHGOEJG-HNNXBMFYSA-N 0 0 375.385 0.628 20 5 GCBDRN CCC[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 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376.456 0.876 20 5 GCBDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513472046 530267169 /nfs/dbraw/zinc/26/71/69/530267169.db2.gz XJFIEGBTTLAJDV-JTQLQIEISA-N 0 0 392.455 0.894 20 5 GCBDRN COC(=O)[C@@H](CC(F)F)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513622418 530267453 /nfs/dbraw/zinc/26/74/53/530267453.db2.gz RTNQJMVRILVKNG-MRVPVSSYSA-N 0 0 380.325 0.925 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CSC[C@H]1C(=O)OC ZINC000289810049 530295903 /nfs/dbraw/zinc/29/59/03/530295903.db2.gz JZXBUUDHAOMDPV-JTQLQIEISA-N 0 0 390.395 0.618 20 5 GCBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCCc1nnc[nH]1 ZINC000151902313 530296662 /nfs/dbraw/zinc/29/66/62/530296662.db2.gz RSNUVJOOQVHGSH-UHFFFAOYSA-N 0 0 376.192 0.996 20 5 GCBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCc2nnc[nH]2)c1 ZINC000151898444 530296709 /nfs/dbraw/zinc/29/67/09/530296709.db2.gz NBMIBOARGGQQRJ-UHFFFAOYSA-N 0 0 376.192 0.996 20 5 GCBDRN CN1C(=O)C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O 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CCc1ccc(S(=O)(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000563052223 530313733 /nfs/dbraw/zinc/31/37/33/530313733.db2.gz KEXXSNROTMJZBJ-GFCCVEGCSA-N 0 0 391.471 0.860 20 5 GCBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC1CS(=O)(=O)C1 ZINC000615747197 530314165 /nfs/dbraw/zinc/31/41/65/530314165.db2.gz GMTAAXYXQMHCLZ-UHFFFAOYSA-N 0 0 392.411 0.094 20 5 GCBDRN C[C@@H](O)[C@@H](CO)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000411696941 530314468 /nfs/dbraw/zinc/31/44/68/530314468.db2.gz JOAAVIDNERISBR-LHLIQPBNSA-N 0 0 376.163 0.154 20 5 GCBDRN CCc1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000579946333 530322549 /nfs/dbraw/zinc/32/25/49/530322549.db2.gz ISSQFALLOGLDIY-UHFFFAOYSA-N 0 0 377.444 0.471 20 5 GCBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580647550 530324522 /nfs/dbraw/zinc/32/45/22/530324522.db2.gz UMSYYJWZRFUREZ-JTQLQIEISA-N 0 0 383.352 0.104 20 5 GCBDRN CCS(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000581717651 530325895 /nfs/dbraw/zinc/32/58/95/530325895.db2.gz LJXUQKLHUAELJD-SNVBAGLBSA-N 0 0 392.459 0.102 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2cc(CO)nn2)c(Cl)c1 ZINC000290186458 530327337 /nfs/dbraw/zinc/32/73/37/530327337.db2.gz LOXOUDPIBJHECF-UHFFFAOYSA-N 0 0 375.794 0.701 20 5 GCBDRN CCOCCOC[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000480672750 530329239 /nfs/dbraw/zinc/32/92/39/530329239.db2.gz ZYEZWTIBYRKCOW-NSHDSACASA-N 0 0 382.822 0.941 20 5 GCBDRN CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290422908 530365004 /nfs/dbraw/zinc/36/50/04/530365004.db2.gz JVGYLUVLLYXWEA-ZETCQYMHSA-N 0 0 387.190 0.937 20 5 GCBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)c1C ZINC000480927954 530366047 /nfs/dbraw/zinc/36/60/47/530366047.db2.gz NWFMAGHHSYLJNV-UHFFFAOYSA-N 0 0 391.471 0.914 20 5 GCBDRN CCCN(C)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000480951133 530366349 /nfs/dbraw/zinc/36/63/49/530366349.db2.gz HRSJSEJTGFNMOE-UHFFFAOYSA-N 0 0 394.475 0.586 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/nfs/dbraw/zinc/36/85/44/530368544.db2.gz YZJYDPXQXAYEKE-UHFFFAOYSA-N 0 0 385.174 0.691 20 5 GCBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1C ZINC000563258258 530349128 /nfs/dbraw/zinc/34/91/28/530349128.db2.gz QIWBQNPNHBJXPX-LLVKDONJSA-N 0 0 377.444 0.524 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[S@](=O)C[C@H](C)C1 ZINC000290248223 530349356 /nfs/dbraw/zinc/34/93/56/530349356.db2.gz ZYBKKSCRBVHUKW-ZZDSUILFSA-N 0 0 390.439 0.771 20 5 GCBDRN C[S@](=O)CCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565115056 530351670 /nfs/dbraw/zinc/35/16/70/530351670.db2.gz RWBDZQPNOPGKPE-QHCPKHFHSA-N 0 0 377.444 0.148 20 5 GCBDRN CN(CCOCCO)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290636646 530368932 /nfs/dbraw/zinc/36/89/32/530368932.db2.gz ZEVIFSRBRHPAFO-UHFFFAOYSA-N 0 0 390.190 0.763 20 5 GCBDRN CCS(=O)(=O)N1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000330578872 530352159 /nfs/dbraw/zinc/35/21/59/530352159.db2.gz SRIALVKZYNFSSC-UHFFFAOYSA-N 0 0 391.471 0.434 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388.789 0.124 20 5 GCBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC1CC(F)(F)C1 ZINC000277106456 530912741 /nfs/dbraw/zinc/91/27/41/530912741.db2.gz XALHYBMOVTUASP-UHFFFAOYSA-N 0 0 378.357 0.970 20 5 GCBDRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000277133226 530913071 /nfs/dbraw/zinc/91/30/71/530913071.db2.gz YUZCDJJCVBMIRC-GFCCVEGCSA-N 0 0 391.471 0.901 20 5 GCBDRN CCOC(=O)c1ccnc(NCCNS(=O)(=O)NC(C)C)c1[N+](=O)[O-] ZINC000277252663 530913279 /nfs/dbraw/zinc/91/32/79/530913279.db2.gz VWJIWOYLUYVYFD-UHFFFAOYSA-N 0 0 375.407 0.411 20 5 GCBDRN Cc1sc(S(=O)(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000467045032 530913646 /nfs/dbraw/zinc/91/36/46/530913646.db2.gz KPMJJUIHKVOKPF-LLVKDONJSA-N 0 0 379.460 0.278 20 5 GCBDRN Cn1cc([C@@H]2C[S@@](=O)CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000277481615 530913706 /nfs/dbraw/zinc/91/37/06/530913706.db2.gz CMTYJBQMPIWNNA-BSEYFRJRSA-N 0 0 384.439 0.823 20 5 GCBDRN COC(=O)Cn1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)nn1 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ZINC000531903994 1197103415 /nfs/dbraw/zinc/10/34/15/1197103415.db2.gz NAFHYVSMTGAGDB-OAHLLOKOSA-N 0 0 390.444 0.239 20 5 GCBDRN CC(=O)N1CCN(CCNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000531910046 1197103539 /nfs/dbraw/zinc/10/35/39/1197103539.db2.gz SDZGMPPFGQUIMH-UHFFFAOYSA-N 0 0 399.473 0.421 20 5 GCBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccccc1CN1C(=O)CNC1=O ZINC000532026451 1197107408 /nfs/dbraw/zinc/10/74/08/1197107408.db2.gz RQIKRUICUAYELN-UHFFFAOYSA-N 0 0 387.356 0.665 20 5 GCBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC(n2ccnc2)C1 ZINC000532089825 1197111045 /nfs/dbraw/zinc/11/10/45/1197111045.db2.gz ZOZOZERYFISVAQ-UHFFFAOYSA-N 0 0 393.425 0.874 20 5 GCBDRN Cc1cc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]c(=O)n1 ZINC000532154666 1197119123 /nfs/dbraw/zinc/11/91/23/1197119123.db2.gz IENITFDTLUCTRG-UHFFFAOYSA-N 0 0 381.370 0.107 20 5 GCBDRN NS(=O)(=O)CCCCCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000520416967 1197126536 /nfs/dbraw/zinc/12/65/36/1197126536.db2.gz ZSWMKCSVSQXAFA-UHFFFAOYSA-N 0 0 385.446 0.487 20 5 GCBDRN O=C(Nc1nc2n(n1)CCCC2)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000453747148 1197128577 /nfs/dbraw/zinc/12/85/77/1197128577.db2.gz XFHKKJDZCBBWGH-UHFFFAOYSA-N 0 0 386.368 0.751 20 5 GCBDRN COc1ccc(C(=O)NCC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000532266829 1197132366 /nfs/dbraw/zinc/13/23/66/1197132366.db2.gz XVHYVTWHNFIIOO-JQWIXIFHSA-N 0 0 378.385 0.494 20 5 GCBDRN COCCC(=O)N1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000475696219 1197150062 /nfs/dbraw/zinc/15/00/62/1197150062.db2.gz SYYFDQNVRHWJJA-UHFFFAOYSA-N 0 0 380.401 0.723 20 5 GCBDRN COC(=O)COc1ccc(CN2CCN(C(=O)[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000475696490 1197150672 /nfs/dbraw/zinc/15/06/72/1197150672.db2.gz DKDSVLZNWRILHX-GFCCVEGCSA-N 0 0 381.385 0.172 20 5 GCBDRN CCNC(=O)N1CC[C@@H](NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000532373834 1197155017 /nfs/dbraw/zinc/15/50/17/1197155017.db2.gz LWHXWBBTKQYQNZ-SNVBAGLBSA-N 0 0 389.368 0.111 20 5 GCBDRN 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CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000532794441 1197412849 /nfs/dbraw/zinc/41/28/49/1197412849.db2.gz AJAUMEGRRTULSW-SNVBAGLBSA-N 0 0 385.398 0.520 20 5 GCBDRN NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000532862706 1197416637 /nfs/dbraw/zinc/41/66/37/1197416637.db2.gz VNMYSMGVWXCORB-QGZVFWFLSA-N 0 0 398.419 0.856 20 5 GCBDRN NC(=O)c1ccc(SCC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000532884760 1197418685 /nfs/dbraw/zinc/41/86/85/1197418685.db2.gz YSUQGWOOLNHLTC-ONGXEEELSA-N 0 0 380.426 0.946 20 5 GCBDRN C[C@@H](NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@H](C)N1CCOCC1 ZINC000454557220 1197421560 /nfs/dbraw/zinc/42/15/60/1197421560.db2.gz ZVJUMTPLGDYMRG-HUUCEWRRSA-N 0 0 392.460 0.931 20 5 GCBDRN CCn1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000532949196 1197422806 /nfs/dbraw/zinc/42/28/06/1197422806.db2.gz VHMFDJMCWMYNSC-UHFFFAOYSA-N 0 0 393.425 0.958 20 5 GCBDRN 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ZINC000533239674 1197440493 /nfs/dbraw/zinc/44/04/93/1197440493.db2.gz YAWHTTSJBWMYME-SNVBAGLBSA-N 0 0 385.398 0.866 20 5 GCBDRN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000533239673 1197440510 /nfs/dbraw/zinc/44/05/10/1197440510.db2.gz YAWHTTSJBWMYME-JTQLQIEISA-N 0 0 385.398 0.866 20 5 GCBDRN COc1ccc(C(=O)NCCNS(=O)(=O)c2cccnc2)cc1[N+](=O)[O-] ZINC000533314057 1197443698 /nfs/dbraw/zinc/44/36/98/1197443698.db2.gz UAOOCZKYCHHQGZ-UHFFFAOYSA-N 0 0 380.382 0.707 20 5 GCBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCCNS(=O)(=O)c2cccnc2)c1 ZINC000533313495 1197445220 /nfs/dbraw/zinc/44/52/20/1197445220.db2.gz KGMSGQPLBUIUHN-UHFFFAOYSA-N 0 0 380.382 0.707 20 5 GCBDRN COc1nccc(CNC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000455189581 1197450421 /nfs/dbraw/zinc/45/04/21/1197450421.db2.gz XKRXOGGLXFBIHB-UHFFFAOYSA-N 0 0 395.397 0.667 20 5 GCBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NCCNS(=O)(=O)c1cccnc1 ZINC000533451019 1197452111 /nfs/dbraw/zinc/45/21/11/1197452111.db2.gz 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ZINC000365281493 530314787 /nfs/dbraw/zinc/31/47/87/530314787.db2.gz VSBMSFVPNKLRBO-SECBINFHSA-N 0 0 381.407 0.436 20 5 GCBDRN CCOCCOC[C@H](O)CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480635434 530314990 /nfs/dbraw/zinc/31/49/90/530314990.db2.gz LXUPBAJEUKXENH-CYBMUJFWSA-N 0 0 376.431 0.904 20 5 GCBDRN Cc1c(C(=O)N2C[C@@H](O)CC(F)(F)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000615908681 530315156 /nfs/dbraw/zinc/31/51/56/530315156.db2.gz VJXZFESRXVUHLC-QMMMGPOBSA-N 0 0 379.341 0.393 20 5 GCBDRN CN(C)S(=O)(=O)N(C)CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000572771804 530322639 /nfs/dbraw/zinc/32/26/39/530322639.db2.gz VRSWDJSUSYUNNQ-CQSZACIVSA-N 0 0 388.471 0.907 20 5 GCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000580360301 530323832 /nfs/dbraw/zinc/32/38/32/530323832.db2.gz MDHDOAAHIPQFFB-SNVBAGLBSA-N 0 0 388.153 0.938 20 5 GCBDRN NS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000574966925 530331467 /nfs/dbraw/zinc/33/14/67/530331467.db2.gz YTDGQPIBZIUHGT-VIFPVBQESA-N 0 0 381.407 0.423 20 5 GCBDRN O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000572661652 530328009 /nfs/dbraw/zinc/32/80/09/530328009.db2.gz OWEBGDBKIKUEPC-NXEZZACHSA-N 0 0 379.188 0.245 20 5 GCBDRN COc1cc(S(=O)(=O)NC[C@@H]2CCCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000583923268 530358470 /nfs/dbraw/zinc/35/84/70/530358470.db2.gz BOQIZDQAMZITIH-JTQLQIEISA-N 0 0 378.428 0.707 20 5 GCBDRN COC[C@H](CO)NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290343077 530361245 /nfs/dbraw/zinc/36/12/45/530361245.db2.gz JYORAQFYIIAYHJ-QMMMGPOBSA-N 0 0 376.163 0.419 20 5 GCBDRN O=C(COc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)N1CCSCC1 ZINC000264411686 530363422 /nfs/dbraw/zinc/36/34/22/530363422.db2.gz VTOHRJUCFIZGMS-UHFFFAOYSA-N 0 0 389.455 0.468 20 5 GCBDRN COc1ccc(NS(=O)(=O)CCCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000290489253 530366426 /nfs/dbraw/zinc/36/64/26/530366426.db2.gz JAONEVCWCKOLHK-UHFFFAOYSA-N 0 0 381.432 0.627 20 5 GCBDRN CS(=O)(=O)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000452064979 530333988 /nfs/dbraw/zinc/33/39/88/530333988.db2.gz AZQFDNQSDGKUIK-UHFFFAOYSA-N 0 0 399.244 0.775 20 5 GCBDRN CS(=O)(=O)C1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000452072246 530334214 /nfs/dbraw/zinc/33/42/14/530334214.db2.gz UESZGWMNBRCPTF-UHFFFAOYSA-N 0 0 399.244 0.775 20 5 GCBDRN Cc1cc(S(=O)(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c(C)cc1[N+](=O)[O-] ZINC000583155641 530334892 /nfs/dbraw/zinc/33/48/92/530334892.db2.gz XRENWTUSQLDZLE-ZDUSSCGKSA-N 0 0 378.428 0.040 20 5 GCBDRN CNS(=O)(=O)CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000188968081 530336887 /nfs/dbraw/zinc/33/68/87/530336887.db2.gz VPBHQIRTRGCLKE-UHFFFAOYSA-N 0 0 380.220 0.945 20 5 GCBDRN CNS(=O)(=O)c1ccc(NCC2(S(C)(=O)=O)CCC2)c([N+](=O)[O-])c1 ZINC000480701336 530345704 /nfs/dbraw/zinc/34/57/04/530345704.db2.gz UTSYTUBVTMOFOM-UHFFFAOYSA-N 0 0 377.444 0.882 20 5 GCBDRN CCC[C@H](C)S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000563250543 530348983 /nfs/dbraw/zinc/34/89/83/530348983.db2.gz XUBSWWSKCHDSNY-NSHDSACASA-N 0 0 379.460 0.981 20 5 GCBDRN COC(=O)CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC ZINC000480742026 530351787 /nfs/dbraw/zinc/35/17/87/530351787.db2.gz QDWSCVLLXMSGDG-MRVPVSSYSA-N 0 0 380.400 0.738 20 5 GCBDRN C[S@@](=O)CCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565115054 530351842 /nfs/dbraw/zinc/35/18/42/530351842.db2.gz RWBDZQPNOPGKPE-HSZRJFAPSA-N 0 0 377.444 0.148 20 5 GCBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000565430804 530352287 /nfs/dbraw/zinc/35/22/87/530352287.db2.gz FSLRCQGZACSQMM-PSASIEDQSA-N 0 0 380.831 0.614 20 5 GCBDRN CC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000565792508 530352426 /nfs/dbraw/zinc/35/24/26/530352426.db2.gz URYDDYIGLGSLDC-UWVGGRQHSA-N 0 0 377.444 0.644 20 5 GCBDRN C[C@@H](O)CN(CCO)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000290291398 530353736 /nfs/dbraw/zinc/35/37/36/530353736.db2.gz WOQNVXHHOCWDMS-MRVPVSSYSA-N 0 0 383.220 0.721 20 5 GCBDRN O=C(NCCS(=O)(=O)N1CCSCC1)NCc1ccccc1[N+](=O)[O-] ZINC000264573192 530372173 /nfs/dbraw/zinc/37/21/73/530372173.db2.gz XNDNPDDPPSEGTK-UHFFFAOYSA-N 0 0 388.471 0.773 20 5 GCBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000264558176 530372186 /nfs/dbraw/zinc/37/21/86/530372186.db2.gz UCSRIUSKNFKUOW-UHFFFAOYSA-N 0 0 395.484 0.252 20 5 GCBDRN O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])s1 ZINC000264650572 530378671 /nfs/dbraw/zinc/37/86/71/530378671.db2.gz ISKORYRMWWFXNY-JTQLQIEISA-N 0 0 377.444 0.875 20 5 GCBDRN CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H](N)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000584466502 530383971 /nfs/dbraw/zinc/38/39/71/530383971.db2.gz ZONBBALTJCROST-SNVBAGLBSA-N 0 0 384.336 0.416 20 5 GCBDRN C[C@@H](C[S@@](C)=O)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541501234 530385309 /nfs/dbraw/zinc/38/53/09/530385309.db2.gz QGTHMZBPYYIRMC-SDWAUSNYSA-N 0 0 377.444 0.146 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 ZINC000285630273 530396021 /nfs/dbraw/zinc/39/60/21/530396021.db2.gz ZXYYZPVELJCBKQ-LLVKDONJSA-N 0 0 389.455 0.830 20 5 GCBDRN CNS(=O)(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000264754213 530397124 /nfs/dbraw/zinc/39/71/24/530397124.db2.gz NGPYPTJSXSKNDM-UHFFFAOYSA-N 0 0 393.443 0.306 20 5 GCBDRN CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CO)COC)cc([N+](=O)[O-])c1C ZINC000481220377 530399605 /nfs/dbraw/zinc/39/96/05/530399605.db2.gz VTECIEYQOFXNAA-JTQLQIEISA-N 0 0 376.387 0.366 20 5 GCBDRN Cc1c(Br)c(N2CCN(S(N)(=O)=O)CC2)ncc1[N+](=O)[O-] ZINC000541577806 530394773 /nfs/dbraw/zinc/39/47/73/530394773.db2.gz ZICUTWKNQWXXNN-UHFFFAOYSA-N 0 0 380.224 0.386 20 5 GCBDRN Cc1c(Br)c(=O)n(Cc2cc(=O)n(C)c(=O)n2C)cc1[N+](=O)[O-] ZINC000543145368 530446112 /nfs/dbraw/zinc/44/61/12/530446112.db2.gz FBVNVCAPCABOJY-UHFFFAOYSA-N 0 0 385.174 0.273 20 5 GCBDRN CCS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000330805084 530444832 /nfs/dbraw/zinc/44/48/32/530444832.db2.gz GSOCSTDBHJFCQC-UHFFFAOYSA-N 0 0 377.444 0.392 20 5 GCBDRN COc1ccc(S(=O)(=O)NC[C@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000543168324 530449128 /nfs/dbraw/zinc/44/91/28/530449128.db2.gz BVXVWRIPTSCJCF-LLVKDONJSA-N 0 0 378.428 0.849 20 5 GCBDRN Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000465501281 530470854 /nfs/dbraw/zinc/47/08/54/530470854.db2.gz UDKMADWOLHPYJL-VXGBXAGGSA-N 0 0 391.471 0.899 20 5 GCBDRN COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000027958061 530457183 /nfs/dbraw/zinc/45/71/83/530457183.db2.gz BRQQBQPTJHXTGU-LBPRGKRZSA-N 0 0 392.455 0.727 20 5 GCBDRN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000567477427 530458017 /nfs/dbraw/zinc/45/80/17/530458017.db2.gz QQCJNVCDDMVDLV-NSHDSACASA-N 0 0 377.444 0.524 20 5 GCBDRN COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000025874296 530465668 /nfs/dbraw/zinc/46/56/68/530465668.db2.gz DULGOVJBIYDZBN-NSHDSACASA-N 0 0 378.428 0.419 20 5 GCBDRN CN(C1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1)S(C)(=O)=O ZINC000264832853 530466285 /nfs/dbraw/zinc/46/62/85/530466285.db2.gz IDSVHAHFNQZGBC-UHFFFAOYSA-N 0 0 392.459 0.102 20 5 GCBDRN COCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000025875414 530479455 /nfs/dbraw/zinc/47/94/55/530479455.db2.gz DVQODFCAGUENTJ-LBPRGKRZSA-N 0 0 392.455 0.809 20 5 GCBDRN C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120357635 530480705 /nfs/dbraw/zinc/48/07/05/530480705.db2.gz ABJOYDWXWYEOQW-ZETCQYMHSA-N 0 0 378.204 0.866 20 5 GCBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[S@](=O)C1 ZINC000541812210 530480921 /nfs/dbraw/zinc/48/09/21/530480921.db2.gz VTKKURNKVNXNCU-WYVULQQZSA-N 0 0 375.428 0.189 20 5 GCBDRN CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000541817409 530480999 /nfs/dbraw/zinc/48/09/99/530480999.db2.gz GALXNPSAIOFUBX-LLVKDONJSA-N 0 0 377.444 0.524 20 5 GCBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000027978275 530481035 /nfs/dbraw/zinc/48/10/35/530481035.db2.gz SWBMZVSXPJQPRE-UHFFFAOYSA-N 0 0 377.444 0.606 20 5 GCBDRN O=C(CO)N1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000541825017 530481317 /nfs/dbraw/zinc/48/13/17/530481317.db2.gz BJAXIZAYAVSTKA-UHFFFAOYSA-N 0 0 398.224 0.727 20 5 GCBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000541824821 530481347 /nfs/dbraw/zinc/48/13/47/530481347.db2.gz PBBRELDHYNHZPR-LBPRGKRZSA-N 0 0 391.471 0.914 20 5 GCBDRN CN(C)S(=O)(=O)CCCS(=O)(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567837423 530473865 /nfs/dbraw/zinc/47/38/65/530473865.db2.gz GLDPLPASWJRHIO-UHFFFAOYSA-N 0 0 395.459 0.175 20 5 GCBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1CCS(=O)CC1 ZINC000543563406 530497355 /nfs/dbraw/zinc/49/73/55/530497355.db2.gz KZOKEVGBOIXXRT-UHFFFAOYSA-N 0 0 389.455 0.291 20 5 GCBDRN O=C(NC[C@@H]1CCCS1(=O)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484381361 530498027 /nfs/dbraw/zinc/49/80/27/530498027.db2.gz GMXIITBEVLQVIE-VIFPVBQESA-N 0 0 375.790 0.880 20 5 GCBDRN CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000365271317 530500063 /nfs/dbraw/zinc/50/00/63/530500063.db2.gz CHSMEQHQKMIHEB-NSHDSACASA-N 0 0 377.444 0.606 20 5 GCBDRN Cc1nnc(CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000541873752 530486823 /nfs/dbraw/zinc/48/68/23/530486823.db2.gz FHKSLRFHVCSCAE-UHFFFAOYSA-N 0 0 385.427 0.692 20 5 GCBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CS(=O)(=O)CCO2)c1 ZINC000543672851 530500845 /nfs/dbraw/zinc/50/08/45/530500845.db2.gz LBBJRHZNAGATNH-LLVKDONJSA-N 0 0 378.428 0.304 20 5 GCBDRN Cc1c(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000481762275 530490950 /nfs/dbraw/zinc/49/09/50/530490950.db2.gz AFPVSDSZJJIDFA-IUCAKERBSA-N 0 0 389.455 0.532 20 5 GCBDRN CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CCCS2(=O)=O)c([N+](=O)[O-])c1 ZINC000481834757 530492211 /nfs/dbraw/zinc/49/22/11/530492211.db2.gz CWLKJOGWRAGJBF-NSHDSACASA-N 0 0 377.444 0.834 20 5 GCBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000266428085 530493560 /nfs/dbraw/zinc/49/35/60/530493560.db2.gz QDGUNXNZQUYUJC-UHFFFAOYSA-N 0 0 386.411 0.932 20 5 GCBDRN O=C(CNCC(F)(F)F)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000265074741 530496133 /nfs/dbraw/zinc/49/61/33/530496133.db2.gz WHINEDSBXSAQJP-UHFFFAOYSA-N 0 0 384.336 0.141 20 5 GCBDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000507379307 530496629 /nfs/dbraw/zinc/49/66/29/530496629.db2.gz ITLRBMDACKMUGN-LBPRGKRZSA-N 0 0 391.471 0.853 20 5 GCBDRN O=C(C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000571403230 530507423 /nfs/dbraw/zinc/50/74/23/530507423.db2.gz YFOLFDFETPWSFQ-UHFFFAOYSA-N 0 0 397.240 0.612 20 5 GCBDRN CN(C)S(=O)(=O)N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000609499146 530509452 /nfs/dbraw/zinc/50/94/52/530509452.db2.gz UIBOVNROMAPEQD-UHFFFAOYSA-N 0 0 376.822 0.812 20 5 GCBDRN CN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000291823946 530501738 /nfs/dbraw/zinc/50/17/38/530501738.db2.gz KXUNIBUWOJCAFF-MRVPVSSYSA-N 0 0 383.473 0.530 20 5 GCBDRN C[C@@H](CO)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000294118803 530515424 /nfs/dbraw/zinc/51/54/24/530515424.db2.gz OWKNAZQGOYGRFM-LURJTMIESA-N 0 0 393.137 0.635 20 5 GCBDRN CNS(=O)(=O)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000291979003 530520044 /nfs/dbraw/zinc/52/00/44/530520044.db2.gz WWVOTECNAUVRER-JTQLQIEISA-N 0 0 377.444 0.374 20 5 GCBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000328389405 530520180 /nfs/dbraw/zinc/52/01/80/530520180.db2.gz NJFMRBBECLHPGH-VIFPVBQESA-N 0 0 392.411 0.237 20 5 GCBDRN C[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000573395381 530524263 /nfs/dbraw/zinc/52/42/63/530524263.db2.gz PYLFOSCOKMTHRA-VIFPVBQESA-N 0 0 390.439 0.694 20 5 GCBDRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000573746474 530526191 /nfs/dbraw/zinc/52/61/91/530526191.db2.gz 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CCc1ccc(S(=O)(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000574688385 530559775 /nfs/dbraw/zinc/55/97/75/530559775.db2.gz LXBHCMLPLAKPCB-GFCCVEGCSA-N 0 0 391.471 0.860 20 5 GCBDRN COCC[C@@](C)(O)CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000266884410 530563682 /nfs/dbraw/zinc/56/36/82/530563682.db2.gz HFVBZHBUCKSKGF-CQSZACIVSA-N 0 0 375.403 0.068 20 5 GCBDRN CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000267000179 530570575 /nfs/dbraw/zinc/57/05/75/530570575.db2.gz KJEHSQMVSQJFLR-UHFFFAOYSA-N 0 0 375.403 0.700 20 5 GCBDRN C[C@@H](CC[S@](C)=O)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000267066226 530571073 /nfs/dbraw/zinc/57/10/73/530571073.db2.gz AQKNUSRRVUNLAY-BUBHHJDNSA-N 0 0 391.471 0.489 20 5 GCBDRN O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000267037773 530571187 /nfs/dbraw/zinc/57/11/87/530571187.db2.gz MDODIURHIXZOFW-GFCCVEGCSA-N 0 0 389.455 0.234 20 5 GCBDRN C[C@@H](C[S@](C)=O)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000544334854 530572453 /nfs/dbraw/zinc/57/24/53/530572453.db2.gz VGYJVFFUFLHSNH-FORDYWAESA-N 0 0 388.471 0.891 20 5 GCBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000267173578 530572796 /nfs/dbraw/zinc/57/27/96/530572796.db2.gz LQEJQXSGLOYQHB-LBPRGKRZSA-N 0 0 391.471 0.914 20 5 GCBDRN CCS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000438901960 530572840 /nfs/dbraw/zinc/57/28/40/530572840.db2.gz KQGMELATONYFRN-UHFFFAOYSA-N 0 0 381.407 0.294 20 5 GCBDRN O=C(NC1CC1)C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267250029 530573173 /nfs/dbraw/zinc/57/31/73/530573173.db2.gz NZXNIJCHAOVTLN-UHFFFAOYSA-N 0 0 398.217 0.680 20 5 GCBDRN CNS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000439095710 530574802 /nfs/dbraw/zinc/57/48/02/530574802.db2.gz XWWDFRBEDWOWAK-UHFFFAOYSA-N 0 0 391.349 0.441 20 5 GCBDRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267349517 530574916 /nfs/dbraw/zinc/57/49/16/530574916.db2.gz LOFMVWUWQTUKAA-VIFPVBQESA-N 0 0 389.817 0.624 20 5 GCBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCC[C@]23NC(=O)NC3=O)s1 ZINC000272856293 530575705 /nfs/dbraw/zinc/57/57/05/530575705.db2.gz PNFOAHZDFQTKCE-UHLUBPPHSA-N 0 0 388.427 0.850 20 5 GCBDRN CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000267511378 530580255 /nfs/dbraw/zinc/58/02/55/530580255.db2.gz KCKFZQOUOJIJKT-UHFFFAOYSA-N 0 0 390.849 0.818 20 5 GCBDRN CN(C[C@@H](O)CN1CCOCC1)c1ncc([N+](=O)[O-])cc1Br ZINC000267577922 530585572 /nfs/dbraw/zinc/58/55/72/530585572.db2.gz YIFFBMFWWKASJJ-LLVKDONJSA-N 0 0 375.223 0.882 20 5 GCBDRN Cc1nnc(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000066888618 530640849 /nfs/dbraw/zinc/64/08/49/530640849.db2.gz YFXVVABIXGGGBF-UHFFFAOYSA-N 0 0 386.415 0.855 20 5 GCBDRN Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000268211054 530681860 /nfs/dbraw/zinc/68/18/60/530681860.db2.gz HQIWLOXHMZHLQS-YPMHNXCESA-N 0 0 391.471 0.899 20 5 GCBDRN Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000268192443 530682013 /nfs/dbraw/zinc/68/20/13/530682013.db2.gz FCOADWXFOWAKHK-WCQYABFASA-N 0 0 391.471 0.899 20 5 GCBDRN CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000268248317 530682551 /nfs/dbraw/zinc/68/25/51/530682551.db2.gz OWJICLYGDXYPNW-ONGXEEELSA-N 0 0 392.459 0.372 20 5 GCBDRN CNC(=O)Cn1cnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000153448133 530656816 /nfs/dbraw/zinc/65/68/16/530656816.db2.gz VYQCEUBCTKGZIV-UHFFFAOYSA-N 0 0 397.189 0.876 20 5 GCBDRN Cc1nsc(N2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000589111329 530659408 /nfs/dbraw/zinc/65/94/08/530659408.db2.gz BKIRRSLQDXNKFG-UHFFFAOYSA-N 0 0 384.443 0.729 20 5 GCBDRN NS(=O)(=O)CCCS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267863260 530661078 /nfs/dbraw/zinc/66/10/78/530661078.db2.gz IZSATVPJDDNQDZ-UHFFFAOYSA-N 0 0 387.233 0.810 20 5 GCBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000268275336 530683479 /nfs/dbraw/zinc/68/34/79/530683479.db2.gz UKCPYWUNIONWCE-AAEUAGOBSA-N 0 0 391.471 0.899 20 5 GCBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000589921001 530670281 /nfs/dbraw/zinc/67/02/81/530670281.db2.gz PGGDAKBFIMHDLQ-SNVBAGLBSA-N 0 0 393.443 0.258 20 5 GCBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000589921000 530670424 /nfs/dbraw/zinc/67/04/24/530670424.db2.gz PGGDAKBFIMHDLQ-JTQLQIEISA-N 0 0 393.443 0.258 20 5 GCBDRN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268278950 530683604 /nfs/dbraw/zinc/68/36/04/530683604.db2.gz VEUIKUKWDJQSAO-OCCSQVGLSA-N 0 0 391.471 0.732 20 5 GCBDRN CCOC(=O)CN(C)C(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000267988894 530675737 /nfs/dbraw/zinc/67/57/37/530675737.db2.gz ITCGWIMBMUOLNF-UHFFFAOYSA-N 0 0 376.163 0.541 20 5 GCBDRN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545352136 530675910 /nfs/dbraw/zinc/67/59/10/530675910.db2.gz NYTDVZBVXQVPDI-WCQYABFASA-N 0 0 391.471 0.732 20 5 GCBDRN CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545352134 530675922 /nfs/dbraw/zinc/67/59/22/530675922.db2.gz NYTDVZBVXQVPDI-AAEUAGOBSA-N 0 0 391.471 0.732 20 5 GCBDRN Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc([N+](=O)[O-])cnc2N)s1 ZINC000545417781 530678709 /nfs/dbraw/zinc/67/87/09/530678709.db2.gz HMQFYZBUFUXCLV-UHFFFAOYSA-N 0 0 385.427 0.650 20 5 GCBDRN CS(=O)(=O)N1CCN(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268370874 530686004 /nfs/dbraw/zinc/68/60/04/530686004.db2.gz KETLGZZSYYOLTR-UHFFFAOYSA-N 0 0 390.849 0.442 20 5 GCBDRN CS(=O)(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000067904478 530690245 /nfs/dbraw/zinc/69/02/45/530690245.db2.gz XDAXCGPRKYMDJB-VIFPVBQESA-N 0 0 378.432 0.078 20 5 GCBDRN COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546091319 530692673 /nfs/dbraw/zinc/69/26/73/530692673.db2.gz UOYHYMPAWFYFLN-ZDUSSCGKSA-N 0 0 392.455 0.560 20 5 GCBDRN CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC 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CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1 ZINC000619856793 530885769 /nfs/dbraw/zinc/88/57/69/530885769.db2.gz KQWBEGBEPMDWNB-UHFFFAOYSA-N 0 0 386.411 0.723 20 5 GCBDRN CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000594822782 530885754 /nfs/dbraw/zinc/88/57/54/530885754.db2.gz OUONSHYZZJYYBV-QWRGUYRKSA-N 0 0 378.428 0.302 20 5 GCBDRN CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594826600 530886075 /nfs/dbraw/zinc/88/60/75/530886075.db2.gz JQCGUSQFPHFCQA-WPRPVWTQSA-N 0 0 384.819 0.339 20 5 GCBDRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594826599 530886141 /nfs/dbraw/zinc/88/61/41/530886141.db2.gz JQCGUSQFPHFCQA-WCBMZHEXSA-N 0 0 384.819 0.339 20 5 GCBDRN O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)c1[nH]ncc1[N+](=O)[O-] ZINC000442970424 530886764 /nfs/dbraw/zinc/88/67/64/530886764.db2.gz ULEXGNYXKFJGEC-UHFFFAOYSA-N 0 0 375.313 0.304 20 5 GCBDRN CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594843779 530887140 /nfs/dbraw/zinc/88/71/40/530887140.db2.gz QXKKDEJVFVABDH-UHFFFAOYSA-N 0 0 392.865 0.889 20 5 GCBDRN CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000299091993 530887193 /nfs/dbraw/zinc/88/71/93/530887193.db2.gz ZIQNIIWVAHGQFS-SNVBAGLBSA-N 0 0 395.434 0.826 20 5 GCBDRN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000270916067 530887605 /nfs/dbraw/zinc/88/76/05/530887605.db2.gz MVCBIWNNRNAJAT-ZDUSSCGKSA-N 0 0 376.456 0.976 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)s1 ZINC000370543064 530887775 /nfs/dbraw/zinc/88/77/75/530887775.db2.gz WRCBTBFHUAGWOI-SECBINFHSA-N 0 0 395.484 0.891 20 5 GCBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000370368685 530887802 /nfs/dbraw/zinc/88/78/02/530887802.db2.gz WESSAVDVBMDXJO-SNVBAGLBSA-N 0 0 379.416 0.045 20 5 GCBDRN O=C(NCCCN1CCNC(=O)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000270965727 530888426 /nfs/dbraw/zinc/88/84/26/530888426.db2.gz HHVPKBCSMQYJIJ-UHFFFAOYSA-N 0 0 385.218 0.909 20 5 GCBDRN C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000527011321 530889510 /nfs/dbraw/zinc/88/95/10/530889510.db2.gz QPBPDRMGFSGHRS-UWVGGRQHSA-N 0 0 376.412 0.060 20 5 GCBDRN C[C@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000527046915 530889588 /nfs/dbraw/zinc/88/95/88/530889588.db2.gz IYYDBZMGPKOYOD-VIFPVBQESA-N 0 0 389.817 0.624 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)NCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000425176817 530890860 /nfs/dbraw/zinc/89/08/60/530890860.db2.gz CFCJIKDDXJHGLH-UHFFFAOYSA-N 0 0 384.407 0.846 20 5 GCBDRN CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000372149414 530890933 /nfs/dbraw/zinc/89/09/33/530890933.db2.gz JLSCJPSLYXLOHU-SECBINFHSA-N 0 0 383.835 0.560 20 5 GCBDRN O=C1NC[C@H]2CN(Cc3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000425418057 530891543 /nfs/dbraw/zinc/89/15/43/530891543.db2.gz ILOALEYKOAAYAK-NSHDSACASA-N 0 0 383.202 0.500 20 5 GCBDRN 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383.407 0.798 20 5 GCBDRN COCCN(CC(=O)N(C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000299212774 530897267 /nfs/dbraw/zinc/89/72/67/530897267.db2.gz PUMMWBMPANUPAH-UHFFFAOYSA-N 0 0 379.822 0.974 20 5 GCBDRN Cc1c(NC(=O)C(=O)N[C@H]2C[C@H](C(N)=O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000600037587 530929991 /nfs/dbraw/zinc/92/99/91/530929991.db2.gz VWLKAQLRCOXADU-XWEPSHTISA-N 0 0 399.201 0.984 20 5 GCBDRN CS(=O)(=O)NC1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000600326297 530930498 /nfs/dbraw/zinc/93/04/98/530930498.db2.gz NVGGMJUXIJPNDH-UHFFFAOYSA-N 0 0 378.204 0.731 20 5 GCBDRN CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(N)=O ZINC000600264210 530930672 /nfs/dbraw/zinc/93/06/72/530930672.db2.gz QILAPUSBNNPJFP-NSHDSACASA-N 0 0 375.428 0.335 20 5 GCBDRN CS(=O)(=O)c1cccc(NC2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000400229735 530930715 /nfs/dbraw/zinc/93/07/15/530930715.db2.gz RDJZMHRPVIBVHU-UHFFFAOYSA-N 0 0 377.444 0.834 20 5 GCBDRN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 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ZINC000277481641 530914034 /nfs/dbraw/zinc/91/40/34/530914034.db2.gz CMTYJBQMPIWNNA-SHACYNPGSA-N 0 0 384.439 0.823 20 5 GCBDRN CS(=O)(=O)[C@@H]1CCCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000277764079 530914378 /nfs/dbraw/zinc/91/43/78/530914378.db2.gz DGOKRRIHPDXMAN-LLVKDONJSA-N 0 0 377.444 0.646 20 5 GCBDRN Cc1sc(S(=O)(=O)NC[C@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000467075197 530914419 /nfs/dbraw/zinc/91/44/19/530914419.db2.gz OHZWXVIBLZUVBH-ZDUSSCGKSA-N 0 0 379.460 0.326 20 5 GCBDRN Cc1cc(Br)c(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000277619318 530914504 /nfs/dbraw/zinc/91/45/04/530914504.db2.gz WBPMCCPIMIJUJY-GHMZBOCLSA-N 0 0 388.174 0.168 20 5 GCBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CS(=O)(=O)CCO1 ZINC000467224379 530914709 /nfs/dbraw/zinc/91/47/09/530914709.db2.gz VIUYMWRLGOXFKR-NSHDSACASA-N 0 0 377.806 0.861 20 5 GCBDRN CS(=O)(=O)[C@H]1CCCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000278070142 530915080 /nfs/dbraw/zinc/91/50/80/530915080.db2.gz SYMICTBBQJDUKX-JTQLQIEISA-N 0 0 377.444 0.646 20 5 GCBDRN Cc1sc(S(=O)(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000467424635 530915216 /nfs/dbraw/zinc/91/52/16/530915216.db2.gz JSSNWKDUXLRCQI-JTQLQIEISA-N 0 0 397.500 0.915 20 5 GCBDRN Cc1sc(S(=O)(=O)NCCC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000467412234 530915576 /nfs/dbraw/zinc/91/55/76/530915576.db2.gz GXTKRFVCCSDKTM-UHFFFAOYSA-N 0 0 376.460 0.407 20 5 GCBDRN CS(=O)(=O)Cc1noc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000467452994 530915678 /nfs/dbraw/zinc/91/56/78/530915678.db2.gz JMIWQXDRZWFEAI-UHFFFAOYSA-N 0 0 389.777 0.919 20 5 GCBDRN CNS(=O)(=O)c1ccc(N2CCC(C)(C)S(=O)(=O)CC2)c([N+](=O)[O-])c1 ZINC000278365694 530915826 /nfs/dbraw/zinc/91/58/26/530915826.db2.gz DEHPNXUPIYJKNF-UHFFFAOYSA-N 0 0 391.471 0.906 20 5 GCBDRN NS(=O)(=O)CCN1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278153246 530916166 /nfs/dbraw/zinc/91/61/66/530916166.db2.gz BMYKVZIVYREGNB-UHFFFAOYSA-N 0 0 383.352 0.419 20 5 GCBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000278627755 530916740 /nfs/dbraw/zinc/91/67/40/530916740.db2.gz DYGIGBDAUUANAU-ZDUSSCGKSA-N 0 0 389.455 0.783 20 5 GCBDRN C[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[S@]1=O ZINC000278754343 530916858 /nfs/dbraw/zinc/91/68/58/530916858.db2.gz SFFZMPUOVVGBHY-VKTRGTBVSA-N 0 0 390.439 0.898 20 5 GCBDRN O=C1NC(=O)[C@@]2(CCCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)N1 ZINC000278880297 530917680 /nfs/dbraw/zinc/91/76/80/530917680.db2.gz ZOXPLCPJOBBJDU-ZDUSSCGKSA-N 0 0 388.789 0.611 20 5 GCBDRN CCS(=O)(=O)NCCCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279200385 530917714 /nfs/dbraw/zinc/91/77/14/530917714.db2.gz KWEKJHGRAWBVTB-UHFFFAOYSA-N 0 0 376.410 0.859 20 5 GCBDRN CS(=O)(=O)C[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000555415163 530918118 /nfs/dbraw/zinc/91/81/18/530918118.db2.gz HGAYAQYACGRPHC-JTQLQIEISA-N 0 0 377.444 0.503 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CS(C)(=O)=O ZINC000469117508 530918136 /nfs/dbraw/zinc/91/81/36/530918136.db2.gz WNAQIRGRXURWHC-UHFFFAOYSA-N 0 0 394.427 0.483 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCS1(=O)=O ZINC000469146578 530918472 /nfs/dbraw/zinc/91/84/72/530918472.db2.gz WVVMXSPVUZHDSZ-SNVBAGLBSA-N 0 0 392.411 0.237 20 5 GCBDRN CN(CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000469341754 530918923 /nfs/dbraw/zinc/91/89/23/530918923.db2.gz OKCCOZAWJKYOQY-GFCCVEGCSA-N 0 0 375.834 0.983 20 5 GCBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)NC)CC1 ZINC000331356364 530918952 /nfs/dbraw/zinc/91/89/52/530918952.db2.gz RUVGEFRZJUDYAD-UHFFFAOYSA-N 0 0 388.471 0.929 20 5 GCBDRN COc1cc(S(=O)(=O)NCC2(CS(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000469278072 530918972 /nfs/dbraw/zinc/91/89/72/530918972.db2.gz JUKFZDSFGRVORR-UHFFFAOYSA-N 0 0 378.428 0.707 20 5 GCBDRN NC(=O)[C@]1(O)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000502881358 530934358 /nfs/dbraw/zinc/93/43/58/530934358.db2.gz QIADURZATZXRDS-ZDUSSCGKSA-N 0 0 387.190 0.218 20 5 GCBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCSC1 ZINC000279671566 530919287 /nfs/dbraw/zinc/91/92/87/530919287.db2.gz YWITUJHZOAQRIX-NSHDSACASA-N 0 0 388.471 0.925 20 5 GCBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCSC1 ZINC000279869575 530919529 /nfs/dbraw/zinc/91/95/29/530919529.db2.gz FXZKDGYNFXSRLF-NSHDSACASA-N 0 0 388.471 0.925 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000493889470 530934385 /nfs/dbraw/zinc/93/43/85/530934385.db2.gz VQZCPBCJCZAIER-MRVPVSSYSA-N 0 0 397.406 0.184 20 5 GCBDRN COCCOC[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000469703182 530919588 /nfs/dbraw/zinc/91/95/88/530919588.db2.gz MVYVLJZTNWTXSY-SECBINFHSA-N 0 0 375.403 0.332 20 5 GCBDRN COC[C@H](CO)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000280192426 530919637 /nfs/dbraw/zinc/91/96/37/530919637.db2.gz IUCVJCAGELVKLM-QMMMGPOBSA-N 0 0 383.220 0.951 20 5 GCBDRN CC(C)NS(=O)(=O)NCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280105138 530919659 /nfs/dbraw/zinc/91/96/59/530919659.db2.gz KBUASTMTWPEDAY-UHFFFAOYSA-N 0 0 396.828 0.878 20 5 GCBDRN Cc1c(C(=O)N2CC[S@@](=O)[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469687932 530919694 /nfs/dbraw/zinc/91/96/94/530919694.db2.gz PTNNAOGNGWZDLQ-OTHYDSGKSA-N 0 0 375.428 0.144 20 5 GCBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCN1CCS(=O)(=O)CC1 ZINC000280340137 530920018 /nfs/dbraw/zinc/92/00/18/530920018.db2.gz ZVPJSKRAAUDGEX-UHFFFAOYSA-N 0 0 393.824 0.776 20 5 GCBDRN COC[C@@H](CO)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000280524434 530920339 /nfs/dbraw/zinc/92/03/39/530920339.db2.gz TWDDPKGHZCSIPS-MRVPVSSYSA-N 0 0 390.190 0.728 20 5 GCBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1C ZINC000053213998 530920510 /nfs/dbraw/zinc/92/05/10/530920510.db2.gz TYSQKQIIISQJRB-UHFFFAOYSA-N 0 0 377.444 0.478 20 5 GCBDRN CS(=O)(=O)C1(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000281149912 530921422 /nfs/dbraw/zinc/92/14/22/530921422.db2.gz JCMWWAHABAPDIE-UHFFFAOYSA-N 0 0 375.790 0.880 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)NCC(F)F ZINC000281071911 530921459 /nfs/dbraw/zinc/92/14/59/530921459.db2.gz UWUHCEUVSXFZAI-UHFFFAOYSA-N 0 0 381.313 0.041 20 5 GCBDRN CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000281218546 530921613 /nfs/dbraw/zinc/92/16/13/530921613.db2.gz RBPRAQJIZZUNRG-UHFFFAOYSA-N 0 0 392.459 0.110 20 5 GCBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCOCCF ZINC000595872779 530922166 /nfs/dbraw/zinc/92/21/66/530922166.db2.gz GOKHWOOKCBXYHY-UHFFFAOYSA-N 0 0 378.382 0.158 20 5 GCBDRN C[S@@](=O)C1(CNC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000282283281 530923361 /nfs/dbraw/zinc/92/33/61/530923361.db2.gz QDMBVJRXMXZEMK-XMMPIXPASA-N 0 0 389.455 0.579 20 5 GCBDRN CN(CC(=O)NCC1([S@](C)=O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000282120587 530923606 /nfs/dbraw/zinc/92/36/06/530923606.db2.gz HQWZPGIFJYBDJA-DEOSSOPVSA-N 0 0 389.455 0.243 20 5 GCBDRN CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000282456460 530923905 /nfs/dbraw/zinc/92/39/05/530923905.db2.gz SVDWZHAPXOYUMY-VIFPVBQESA-N 0 0 375.790 0.832 20 5 GCBDRN COCC[C@H](COC)NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000392866993 530923953 /nfs/dbraw/zinc/92/39/53/530923953.db2.gz HXBOFNSKTCABJX-SNVBAGLBSA-N 0 0 375.403 0.332 20 5 GCBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C ZINC000619481034 530924375 /nfs/dbraw/zinc/92/43/75/530924375.db2.gz YGCYUCDFJMTEQZ-JTQLQIEISA-N 0 0 375.428 0.755 20 5 GCBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC(C)(CO)CO ZINC000283727418 530925450 /nfs/dbraw/zinc/92/54/50/530925450.db2.gz FAWSZOJWIOPXGF-UHFFFAOYSA-N 0 0 394.165 0.981 20 5 GCBDRN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283185903 530925638 /nfs/dbraw/zinc/92/56/38/530925638.db2.gz LPCGJZLZCBLHTF-NXEZZACHSA-N 0 0 390.439 0.646 20 5 GCBDRN CCO[C@@H]1C[C@](O)(CNS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1(C)C ZINC000474397120 530925651 /nfs/dbraw/zinc/92/56/51/530925651.db2.gz PBNGZBDZDVWIGW-RISCZKNCSA-N 0 0 376.435 0.656 20 5 GCBDRN CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000269778139 530925773 /nfs/dbraw/zinc/92/57/73/530925773.db2.gz HNESJLXNYGETIE-LBPRGKRZSA-N 0 0 393.849 0.562 20 5 GCBDRN C[C@H](CCS(C)(=O)=O)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000474545327 530926244 /nfs/dbraw/zinc/92/62/44/530926244.db2.gz SKUAVAVAPSAANJ-SECBINFHSA-N 0 0 378.428 0.551 20 5 GCBDRN Cn1cnn(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1=O ZINC000284517684 530926268 /nfs/dbraw/zinc/92/62/68/530926268.db2.gz OHRUXOFWPZBDIY-UHFFFAOYSA-N 0 0 396.201 0.837 20 5 GCBDRN Cc1noc(CS(=O)(=O)[C@H](C)C(=O)NCC(=O)OC(C)C)c1[N+](=O)[O-] ZINC000596019818 530926541 /nfs/dbraw/zinc/92/65/41/530926541.db2.gz HPHHTMFRPNTCBA-SECBINFHSA-N 0 0 377.375 0.262 20 5 GCBDRN COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285011647 530926814 /nfs/dbraw/zinc/92/68/14/530926814.db2.gz ABCZBCFCSYQRCN-SSDOTTSWSA-N 0 0 383.785 0.898 20 5 GCBDRN CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000269789388 530927412 /nfs/dbraw/zinc/92/74/12/530927412.db2.gz JNYJAFNDPUSWIP-LLVKDONJSA-N 0 0 377.394 0.048 20 5 GCBDRN COc1ccc(S(=O)(=O)NCCS(=O)(=O)NC(C)C)c([N+](=O)[O-])c1 ZINC000299350395 530927802 /nfs/dbraw/zinc/92/78/02/530927802.db2.gz CBMNJMRXVDNTBA-UHFFFAOYSA-N 0 0 381.432 0.210 20 5 GCBDRN Cc1sc(S(=O)(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000490091569 530928297 /nfs/dbraw/zinc/92/82/97/530928297.db2.gz LXRVIRNXSIHZLX-VIFPVBQESA-N 0 0 383.473 0.619 20 5 GCBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1SC ZINC000598032304 530962709 /nfs/dbraw/zinc/96/27/09/530962709.db2.gz ZRGFWDCLBOXMKP-BXKDBHETSA-N 0 0 390.439 0.867 20 5 GCBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCCCS1(=O)=O ZINC000619496140 530935043 /nfs/dbraw/zinc/93/50/43/530935043.db2.gz FOQQAJUOODCOKW-SNVBAGLBSA-N 0 0 378.428 0.849 20 5 GCBDRN CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503483361 530935175 /nfs/dbraw/zinc/93/51/75/530935175.db2.gz HCNFNCGSJYKMHP-AWEZNQCLSA-N 0 0 391.471 0.481 20 5 GCBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 ZINC000057839998 530935469 /nfs/dbraw/zinc/93/54/69/530935469.db2.gz QSZYWURJUZFVSN-UHFFFAOYSA-N 0 0 391.471 0.860 20 5 GCBDRN CS(=O)(=O)N[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000603628896 530935889 /nfs/dbraw/zinc/93/58/89/530935889.db2.gz DDKTUJNFJZMYAR-SNVBAGLBSA-N 0 0 377.444 0.516 20 5 GCBDRN CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000494788337 530936036 /nfs/dbraw/zinc/93/60/36/530936036.db2.gz QNODLNIOYVKTGM-VIFPVBQESA-N 0 0 397.862 0.951 20 5 GCBDRN CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000494793984 530936167 /nfs/dbraw/zinc/93/61/67/530936167.db2.gz WZCKNUILBOWHNP-LLVKDONJSA-N 0 0 377.444 0.606 20 5 GCBDRN CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000494792527 530936268 /nfs/dbraw/zinc/93/62/68/530936268.db2.gz 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C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000271877402 530939418 /nfs/dbraw/zinc/93/94/18/530939418.db2.gz HQRNNEKNXRBYMQ-VIFPVBQESA-N 0 0 397.862 0.903 20 5 GCBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000619494877 530939510 /nfs/dbraw/zinc/93/95/10/530939510.db2.gz RTVLQVWGKVZFRC-VIFPVBQESA-N 0 0 379.416 0.045 20 5 GCBDRN CNS(=O)(=O)C[C@@H]1CCCN1c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497532821 530939805 /nfs/dbraw/zinc/93/98/05/530939805.db2.gz FZQAXKISKAQTOL-JTQLQIEISA-N 0 0 377.444 0.516 20 5 GCBDRN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000506799157 530940358 /nfs/dbraw/zinc/94/03/58/530940358.db2.gz PRNJSQUOFFSFEJ-DTWKUNHWSA-N 0 0 387.443 0.655 20 5 GCBDRN O=[N+]([O-])c1cc(Cl)ccc1CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000498969602 530941528 /nfs/dbraw/zinc/94/15/28/530941528.db2.gz RTURKONUOHXPFP-GJZGRUSLSA-N 0 0 389.861 0.524 20 5 GCBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000507886289 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COC(=O)c1ccc(S(=O)(=O)NCCn2cnnc2C2CC2)cc1[N+](=O)[O-] ZINC000416422108 1189515502 /nfs/dbraw/zinc/51/55/02/1189515502.db2.gz IUJAUZQPQKWKHD-UHFFFAOYSA-N 0 0 395.397 0.829 20 5 GCBDRN O=C(CN1CCC(N2CCS(=O)(=O)CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000378500775 1189520512 /nfs/dbraw/zinc/52/05/12/1189520512.db2.gz VDQABZCYVYGARU-UHFFFAOYSA-N 0 0 396.469 0.728 20 5 GCBDRN CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416448728 1189520572 /nfs/dbraw/zinc/52/05/72/1189520572.db2.gz HTOOLDKRVOSFHE-ZYHUDNBSSA-N 0 0 385.398 0.574 20 5 GCBDRN O=C(CO)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416451539 1189522235 /nfs/dbraw/zinc/52/22/35/1189522235.db2.gz BLBCRYIWLQPWSI-UHFFFAOYSA-N 0 0 397.331 0.439 20 5 GCBDRN CC[C@@](NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)(C(N)=O)C(C)C ZINC000416458687 1189523539 /nfs/dbraw/zinc/52/35/39/1189523539.db2.gz QIVCDMQJXAHUQA-HNNXBMFYSA-N 0 0 387.414 0.950 20 5 GCBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c2nonc21 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/nfs/dbraw/zinc/54/16/16/1189541616.db2.gz SSKIBCWSXAUWMY-LBPRGKRZSA-N 0 0 399.429 0.070 20 5 GCBDRN CNS(=O)(=O)c1ccc(Nc2cnn(CC(=O)N(C)C)c2)c([N+](=O)[O-])c1 ZINC000066817927 1189543115 /nfs/dbraw/zinc/54/31/15/1189543115.db2.gz PRMKYEJJJXPUEE-UHFFFAOYSA-N 0 0 382.402 0.531 20 5 GCBDRN O=C1NC(=O)[C@]2(CCC[C@@H]2CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)N1 ZINC000378603352 1189548064 /nfs/dbraw/zinc/54/80/64/1189548064.db2.gz CMEWXGGQBRGNBN-MLGOLLRUSA-N 0 0 396.425 0.435 20 5 GCBDRN CN1C(=O)N[C@]2(CCC[C@@H]2CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1=O ZINC000378616628 1189551408 /nfs/dbraw/zinc/55/14/08/1189551408.db2.gz CGVGAXKFYXIEOI-PSLIRLAXSA-N 0 0 397.413 0.375 20 5 GCBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000378629298 1189552657 /nfs/dbraw/zinc/55/26/57/1189552657.db2.gz UIVPRSRXLVXFRN-UHFFFAOYSA-N 0 0 376.417 0.342 20 5 GCBDRN COCC(COC)N1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000416574978 1189553286 /nfs/dbraw/zinc/55/32/86/1189553286.db2.gz ZUZIIEHMLPTMNY-UHFFFAOYSA-N 0 0 387.458 0.704 20 5 GCBDRN COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000416588091 1189556920 /nfs/dbraw/zinc/55/69/20/1189556920.db2.gz QCVYNFAPQGCFMB-ZDUSSCGKSA-N 0 0 385.442 0.937 20 5 GCBDRN COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000416590061 1189557384 /nfs/dbraw/zinc/55/73/84/1189557384.db2.gz SGGBHHXPVZSEAD-ZDUSSCGKSA-N 0 0 385.442 0.937 20 5 GCBDRN CCOC(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000014287832 1189558693 /nfs/dbraw/zinc/55/86/93/1189558693.db2.gz BZFCUFIDNGRNIQ-UHFFFAOYSA-N 0 0 385.398 0.913 20 5 GCBDRN COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416651307 1189565052 /nfs/dbraw/zinc/56/50/52/1189565052.db2.gz DBQMWMCWROAABP-CYBMUJFWSA-N 0 0 385.398 0.178 20 5 GCBDRN COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000416665728 1189567429 /nfs/dbraw/zinc/56/74/29/1189567429.db2.gz URAATNSBJGKXCA-LBPRGKRZSA-N 0 0 399.425 0.654 20 5 GCBDRN COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000416663687 1189567432 /nfs/dbraw/zinc/56/74/32/1189567432.db2.gz RSWJGMPAYUXMCZ-ZDUSSCGKSA-N 0 0 399.425 0.654 20 5 GCBDRN COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000416663254 1189567598 /nfs/dbraw/zinc/56/75/98/1189567598.db2.gz RLIZOMVKZKWCAI-LBPRGKRZSA-N 0 0 385.398 0.346 20 5 GCBDRN CC(=O)c1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000014324815 1189567958 /nfs/dbraw/zinc/56/79/58/1189567958.db2.gz JFOUPRUXKXIMBS-UHFFFAOYSA-N 0 0 376.413 0.778 20 5 GCBDRN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000416737237 1189576687 /nfs/dbraw/zinc/57/66/87/1189576687.db2.gz UAVSBNKGWLIANN-GFCCVEGCSA-N 0 0 380.357 0.889 20 5 GCBDRN CC[C@@H](C(=O)OC)N1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000511581116 1189577743 /nfs/dbraw/zinc/57/77/43/1189577743.db2.gz ZCLQNDYULKAKHN-INIZCTEOSA-N 0 0 399.469 0.938 20 5 GCBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCS1(=O)=O ZINC000541449402 1189604896 /nfs/dbraw/zinc/60/48/96/1189604896.db2.gz KANFAMQFDHCKHP-AWEZNQCLSA-N 0 0 398.441 0.478 20 5 GCBDRN CCCNC(=O)CN(CCC)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000584635407 1189614393 /nfs/dbraw/zinc/61/43/93/1189614393.db2.gz YQARIKRHNZCFPP-UHFFFAOYSA-N 0 0 386.430 0.621 20 5 GCBDRN COc1cc(CCNC(=O)C(=O)NCC2(OC)CCC2)c([N+](=O)[O-])cc1OC ZINC000584628961 1189614854 /nfs/dbraw/zinc/61/48/54/1189614854.db2.gz UPUOKWXOSAIBTL-UHFFFAOYSA-N 0 0 395.412 0.956 20 5 GCBDRN O=C(C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000053215378 1189616098 /nfs/dbraw/zinc/61/60/98/1189616098.db2.gz DJUFJWUOOIKDPK-UHFFFAOYSA-N 0 0 382.804 0.756 20 5 GCBDRN Cn1cc(S(=O)(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000431923393 1189617236 /nfs/dbraw/zinc/61/72/36/1189617236.db2.gz NALRWGAGDFVGOB-UHFFFAOYSA-N 0 0 382.398 0.206 20 5 GCBDRN CC[C@@H](C(=O)OC)N1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000511608073 1189628542 /nfs/dbraw/zinc/62/85/42/1189628542.db2.gz BEKLVFMDMUSMBJ-RDJZCZTQSA-N 0 0 381.429 0.904 20 5 GCBDRN CCOC(=O)N1CC[C@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000274462125 1189685617 /nfs/dbraw/zinc/68/56/17/1189685617.db2.gz JZKBYTVYPKZEJA-JTQLQIEISA-N 0 0 378.341 0.850 20 5 GCBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000584878939 1189700210 /nfs/dbraw/zinc/70/02/10/1189700210.db2.gz KCHYFQUEYUTKJU-NSHDSACASA-N 0 0 397.409 0.964 20 5 GCBDRN CCCn1c(N)c(N(CCOC)C(=O)c2ccc([N+](=O)[O-])cc2)c(=O)[nH]c1=O ZINC000014911757 1189712272 /nfs/dbraw/zinc/71/22/72/1189712272.db2.gz XNABXBCFYNBGNI-UHFFFAOYSA-N 0 0 391.384 0.730 20 5 GCBDRN O=[N+]([O-])c1ccc(N2CCn3cncc3C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000290770710 1189731949 /nfs/dbraw/zinc/73/19/49/1189731949.db2.gz VKLBAGKOEVHUBW-UHFFFAOYSA-N 0 0 393.425 0.832 20 5 GCBDRN COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CC(=O)Nc3ccccc32)c1=O ZINC000105777667 1189753667 /nfs/dbraw/zinc/75/36/67/1189753667.db2.gz ZFPSTZJEXSWZAQ-UHFFFAOYSA-N 0 0 386.320 0.528 20 5 GCBDRN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000487338207 1189798738 /nfs/dbraw/zinc/79/87/38/1189798738.db2.gz PCKQPSKOTPYSMU-BDAKNGLRSA-N 0 0 391.377 0.469 20 5 GCBDRN CN(C)C(=O)CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000015130137 1189803238 /nfs/dbraw/zinc/80/32/38/1189803238.db2.gz LHQKOUSBKIZXOQ-UHFFFAOYSA-N 0 0 399.473 0.055 20 5 GCBDRN CNS(=O)(=O)c1ccc(N2CCN(Cc3ncc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000500387872 1189804398 /nfs/dbraw/zinc/80/43/98/1189804398.db2.gz HHVCUZLVALAAFD-UHFFFAOYSA-N 0 0 380.430 0.548 20 5 GCBDRN CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000274427342 1189814183 /nfs/dbraw/zinc/81/41/83/1189814183.db2.gz ZAZSWQVCILCFLQ-GFCCVEGCSA-N 0 0 379.442 0.667 20 5 GCBDRN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccc(S(N)(=O)=O)c1 ZINC000500411604 1189818350 /nfs/dbraw/zinc/81/83/50/1189818350.db2.gz ALEWOCQEPVFQMG-SNVBAGLBSA-N 0 0 380.382 0.281 20 5 GCBDRN NS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2CNC3=O)cc1[N+](=O)[O-] ZINC000566788841 1189821908 /nfs/dbraw/zinc/82/19/08/1189821908.db2.gz ZBFUEQWXLGYNGT-UHFFFAOYSA-N 0 0 376.350 0.738 20 5 GCBDRN CN(CC(=O)OCCc1ccnn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000759915174 1189827558 /nfs/dbraw/zinc/82/75/58/1189827558.db2.gz IELXSFPCKYVRTH-UHFFFAOYSA-N 0 0 382.398 0.735 20 5 GCBDRN CC(C)(C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000431989640 1189829910 /nfs/dbraw/zinc/82/99/10/1189829910.db2.gz CKYWACKUSCBQKA-LBPRGKRZSA-N 0 0 397.453 0.682 20 5 GCBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000511702037 1189833816 /nfs/dbraw/zinc/83/38/16/1189833816.db2.gz KKCZAYOIDKROGL-LLVKDONJSA-N 0 0 384.414 0.239 20 5 GCBDRN NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NCCOc2cccc(F)c2)c1=O ZINC000053766952 1189840276 /nfs/dbraw/zinc/84/02/76/1189840276.db2.gz LOJGEDSYFAVRGF-UHFFFAOYSA-N 0 0 378.316 0.190 20 5 GCBDRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000053767425 1189841809 /nfs/dbraw/zinc/84/18/09/1189841809.db2.gz GTAPPGABACSEQH-RISCZKNCSA-N 0 0 380.401 0.567 20 5 GCBDRN CNC(=O)[C@H](CCSC)NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000511755355 1189852695 /nfs/dbraw/zinc/85/26/95/1189852695.db2.gz NLFDPWNYNYORAQ-JTQLQIEISA-N 0 0 384.414 0.526 20 5 GCBDRN CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000047214885 1189862127 /nfs/dbraw/zinc/86/21/27/1189862127.db2.gz DLAIVUGOUDQRLC-UHFFFAOYSA-N 0 0 396.429 0.577 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000468797343 1189865505 /nfs/dbraw/zinc/86/55/05/1189865505.db2.gz BRCYGYMEKMWEFP-VHSXEESVSA-N 0 0 385.398 0.704 20 5 GCBDRN Cn1ccnc1[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000473073684 1189874519 /nfs/dbraw/zinc/87/45/19/1189874519.db2.gz YVCMOFVFKMXXKN-AWEZNQCLSA-N 0 0 390.375 0.921 20 5 GCBDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1ccnc3c1cccc3[N+](=O)[O-])C2 ZINC000432159471 1189901621 /nfs/dbraw/zinc/90/16/21/1189901621.db2.gz UQVVJBOFJLXOKL-UHFFFAOYSA-N 0 0 397.395 0.610 20 5 GCBDRN CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000468839435 1189908416 /nfs/dbraw/zinc/90/84/16/1189908416.db2.gz GDZFRTKAHHZLSR-UHFFFAOYSA-N 0 0 386.430 0.046 20 5 GCBDRN Cc1cc(=O)c(C(=O)NCCNC(=O)C2CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000198125819 1189911323 /nfs/dbraw/zinc/91/13/23/1189911323.db2.gz RCSJOYXQTRLENK-UHFFFAOYSA-N 0 0 385.380 0.705 20 5 GCBDRN Cc1nn(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c(C)c1[N+](=O)[O-] ZINC000106915052 1189945245 /nfs/dbraw/zinc/94/52/45/1189945245.db2.gz LTVYFDVOSJDEGB-UHFFFAOYSA-N 0 0 399.415 0.434 20 5 GCBDRN CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000473083328 1189969441 /nfs/dbraw/zinc/96/94/41/1189969441.db2.gz BIOOYBZENXJOQS-RYUDHWBXSA-N 0 0 377.380 0.803 20 5 GCBDRN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 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ZTWSXISGLVJZRU-WDEREUQCSA-N 0 0 393.215 0.899 20 5 GCBDRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598028513 530962783 /nfs/dbraw/zinc/96/27/83/530962783.db2.gz OFHBMEVKKUPLND-GXSJLCMTSA-N 0 0 393.215 0.899 20 5 GCBDRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000598032209 530962785 /nfs/dbraw/zinc/96/27/85/530962785.db2.gz YHRCPDHERNADDZ-GWCFXTLKSA-N 0 0 392.817 0.945 20 5 GCBDRN CS(=O)(=O)N1CC(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000494244373 530935166 /nfs/dbraw/zinc/93/51/66/530935166.db2.gz ILKMZSFKWZUMEL-UHFFFAOYSA-N 0 0 379.341 0.817 20 5 GCBDRN C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CS1(=O)=O ZINC000598193838 530964634 /nfs/dbraw/zinc/96/46/34/530964634.db2.gz SYHRFNAIDPQKGV-KOLCDFICSA-N 0 0 390.439 0.694 20 5 GCBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000619496139 530935342 /nfs/dbraw/zinc/93/53/42/530935342.db2.gz FOQQAJUOODCOKW-JTQLQIEISA-N 0 0 378.428 0.849 20 5 GCBDRN CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000494782596 530935458 /nfs/dbraw/zinc/93/54/58/530935458.db2.gz CFPIVQHMJNKOIV-JTQLQIEISA-N 0 0 397.862 0.951 20 5 GCBDRN CN(C)S(=O)(=O)N1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000603590191 530935512 /nfs/dbraw/zinc/93/55/12/530935512.db2.gz QOFSNVNYSHGFMY-UHFFFAOYSA-N 0 0 388.471 0.638 20 5 GCBDRN CN(C)S(=O)(=O)c1ccc(NCCCN(C)S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000603628408 530935527 /nfs/dbraw/zinc/93/55/27/530935527.db2.gz CFXYHSXVJRCOMX-UHFFFAOYSA-N 0 0 394.475 0.539 20 5 GCBDRN CCN1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C1=O ZINC000494556332 530935739 /nfs/dbraw/zinc/93/57/39/530935739.db2.gz DRMCXNNSYJRLSG-VIFPVBQESA-N 0 0 375.378 0.984 20 5 GCBDRN CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000603491839 530935847 /nfs/dbraw/zinc/93/58/47/530935847.db2.gz YCQQEBFOQCGGCQ-UHFFFAOYSA-N 0 0 390.849 0.643 20 5 GCBDRN CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000494786751 530936022 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GCBDRN CN(C)S(=O)(=O)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596229391 530939003 /nfs/dbraw/zinc/93/90/03/530939003.db2.gz AIQVCEVZCKARAE-LLVKDONJSA-N 0 0 392.459 0.102 20 5 GCBDRN CS(=O)(=O)C[C@@H]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596239283 530939278 /nfs/dbraw/zinc/93/92/78/530939278.db2.gz ACMMSHNCVWGJQA-SNVBAGLBSA-N 0 0 377.444 0.503 20 5 GCBDRN CS(=O)(=O)CC[C@H]1NC(=O)N(Cc2c(F)cc([N+](=O)[O-])cc2F)C1=O ZINC000505466348 530939346 /nfs/dbraw/zinc/93/93/46/530939346.db2.gz GDEPGARNQPGUHF-LLVKDONJSA-N 0 0 377.325 0.728 20 5 GCBDRN NS(=O)(=O)c1ccc(N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000596257065 530939744 /nfs/dbraw/zinc/93/97/44/530939744.db2.gz KFRRJHJKSYDGAJ-CQSZACIVSA-N 0 0 389.455 0.647 20 5 GCBDRN CS(=O)(=O)c1ccc(NCCNC(=O)[C@@]2(O)CCSC2)c([N+](=O)[O-])c1 ZINC000497916689 530940589 /nfs/dbraw/zinc/94/05/89/530940589.db2.gz BNYDWJZQFPCPCA-CQSZACIVSA-N 0 0 389.455 0.394 20 5 GCBDRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000507454903 530940808 /nfs/dbraw/zinc/94/08/08/530940808.db2.gz JXXCPRUNHHPNEJ-GFCCVEGCSA-N 0 0 391.471 0.996 20 5 GCBDRN C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)S(N)(=O)=O ZINC000507689932 530941103 /nfs/dbraw/zinc/94/11/03/530941103.db2.gz WTUABRAQZXPEBT-BDAKNGLRSA-N 0 0 390.443 0.054 20 5 GCBDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000497935590 530941119 /nfs/dbraw/zinc/94/11/19/530941119.db2.gz CRNHOLAXBOPDIR-JTQLQIEISA-N 0 0 392.455 0.894 20 5 GCBDRN O=[N+]([O-])c1cc(Cl)ccc1CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000498969603 530941557 /nfs/dbraw/zinc/94/15/57/530941557.db2.gz RTURKONUOHXPFP-HUUCEWRRSA-N 0 0 389.861 0.524 20 5 GCBDRN CCn1cc(S(=O)(=O)NCCC2CCS(=O)(=O)CC2)c([N+](=O)[O-])n1 ZINC000507918963 530941882 /nfs/dbraw/zinc/94/18/82/530941882.db2.gz FOLAVTOHUQBFDS-UHFFFAOYSA-N 0 0 380.448 0.304 20 5 GCBDRN COCCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269824452 530944358 /nfs/dbraw/zinc/94/43/58/530944358.db2.gz STJFJRQDHZPZKM-UHFFFAOYSA-N 0 0 383.220 0.987 20 5 GCBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000271991432 530945293 /nfs/dbraw/zinc/94/52/93/530945293.db2.gz QDESRVHHWBITEJ-NSHDSACASA-N 0 0 391.471 0.812 20 5 GCBDRN COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000272060179 530946651 /nfs/dbraw/zinc/94/66/51/530946651.db2.gz CBPFQCFWHVJMEC-ZETCQYMHSA-N 0 0 383.176 0.170 20 5 GCBDRN CS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000460909328 530947335 /nfs/dbraw/zinc/94/73/35/530947335.db2.gz HWLQBLVJIWTANI-CYBMUJFWSA-N 0 0 376.456 0.976 20 5 GCBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000269837017 530947986 /nfs/dbraw/zinc/94/79/86/530947986.db2.gz AXJIOEOSEWMACH-LLVKDONJSA-N 0 0 377.444 0.463 20 5 GCBDRN CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000269862154 530950530 /nfs/dbraw/zinc/95/05/30/530950530.db2.gz JOLMEWMQBMWBCU-SNVBAGLBSA-N 0 0 381.407 0.436 20 5 GCBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000269867438 530950638 /nfs/dbraw/zinc/95/06/38/530950638.db2.gz LHHNVGKQIJMATL-NSHDSACASA-N 0 0 377.444 0.463 20 5 GCBDRN COc1cc(S(=O)(=O)N(CCS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000269868523 530950710 /nfs/dbraw/zinc/95/07/10/530950710.db2.gz LSUITOBAHJLAFZ-UHFFFAOYSA-N 0 0 378.428 0.801 20 5 GCBDRN CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269860826 530950814 /nfs/dbraw/zinc/95/08/14/530950814.db2.gz JBDYOHZJGQIPCT-VIFPVBQESA-N 0 0 397.862 0.808 20 5 GCBDRN Cc1cc(S(=O)(=O)NC[C@H]2CCCN2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000269881516 530951407 /nfs/dbraw/zinc/95/14/07/530951407.db2.gz SCXFGCGIFLUWHN-LLVKDONJSA-N 0 0 377.444 0.606 20 5 GCBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000269874034 530951612 /nfs/dbraw/zinc/95/16/12/530951612.db2.gz OJJJHSYDPMKVJK-JTQLQIEISA-N 0 0 393.443 0.163 20 5 GCBDRN Nc1c(NC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091500 530951939 /nfs/dbraw/zinc/95/19/39/530951939.db2.gz BDLZWTVDZWWMKS-LBPRGKRZSA-N 0 0 378.794 0.502 20 5 GCBDRN CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597102927 530951997 /nfs/dbraw/zinc/95/19/97/530951997.db2.gz ZTZTVHCINUWMKQ-QMMMGPOBSA-N 0 0 377.810 0.986 20 5 GCBDRN CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597105225 530952067 /nfs/dbraw/zinc/95/20/67/530952067.db2.gz XLEBEGQNXYNPKP-QMMMGPOBSA-N 0 0 377.810 0.986 20 5 GCBDRN NS(=O)(=O)c1ccsc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000597575200 530953697 /nfs/dbraw/zinc/95/36/97/530953697.db2.gz NABCXFYWAMWZEQ-UHFFFAOYSA-N 0 0 385.427 0.978 20 5 GCBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000272156596 530954229 /nfs/dbraw/zinc/95/42/29/530954229.db2.gz DNGNFJKNFWWWOA-SNVBAGLBSA-N 0 0 395.434 0.745 20 5 GCBDRN NS(=O)(=O)c1ccc(NCCC(=O)NCCC2CSC2)c([N+](=O)[O-])c1 ZINC000597795121 530954909 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CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000825621479 607669945 /nfs/dbraw/zinc/66/99/45/607669945.db2.gz USWQUQCTABXSCT-UHFFFAOYSA-N 0 0 385.340 0.974 20 5 GCBDRN C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825860713 607673586 /nfs/dbraw/zinc/67/35/86/607673586.db2.gz VAFTZEWXODRWIJ-SNVBAGLBSA-N 0 0 381.418 0.490 20 5 GCBDRN CC(C)N1C(=O)N[C@]2(CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)C1=O ZINC000824295953 607674901 /nfs/dbraw/zinc/67/49/01/607674901.db2.gz BWYQHGQTJHJPBB-HNNXBMFYSA-N 0 0 387.360 0.079 20 5 GCBDRN O=C([O-])[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000833166791 604997209 /nfs/dbraw/zinc/99/72/09/604997209.db2.gz UQXYAWLSDIOLQF-AWEZNQCLSA-N 0 0 380.382 0.684 20 5 GCBDRN CN1C(=O)N[C@]2(CCC[C@@H]2CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1=O ZINC000821620285 606422267 /nfs/dbraw/zinc/42/22/67/606422267.db2.gz DORREBIRMLGIEB-HWPZZCPQSA-N 0 0 386.372 0.907 20 5 GCBDRN C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820767260 606472791 /nfs/dbraw/zinc/47/27/91/606472791.db2.gz HELSGFHPCFTFRB-BXKDBHETSA-N 0 0 381.418 0.857 20 5 GCBDRN O=c1n(CCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])nc2n1CCCC2 ZINC000823665523 606700962 /nfs/dbraw/zinc/70/09/62/606700962.db2.gz NMKDUNBYIKFUAC-UHFFFAOYSA-N 0 0 386.376 0.367 20 5 GCBDRN O=C(c1cccc(O)c1)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000823493213 606707620 /nfs/dbraw/zinc/70/76/20/606707620.db2.gz IOBVAIKNGDTHHK-UHFFFAOYSA-N 0 0 396.367 0.838 20 5 GCBDRN CCn1ccnc1CN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821566808 606707853 /nfs/dbraw/zinc/70/78/53/606707853.db2.gz VEGDASSRYIECJR-UHFFFAOYSA-N 0 0 384.404 0.709 20 5 GCBDRN Cc1noc([C@H](C)N2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)n1 ZINC000822519674 606708518 /nfs/dbraw/zinc/70/85/18/606708518.db2.gz KMPMYKOBYRRAKC-VIFPVBQESA-N 0 0 386.376 0.745 20 5 GCBDRN Cc1noc([C@@H](C)N2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)n1 ZINC000822519671 606708708 /nfs/dbraw/zinc/70/87/08/606708708.db2.gz KMPMYKOBYRRAKC-SECBINFHSA-N 0 0 386.376 0.745 20 5 GCBDRN CCS(=O)(=O)N(C)C1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821441313 606709959 /nfs/dbraw/zinc/70/99/59/606709959.db2.gz KGXVALVVFJHKDB-UHFFFAOYSA-N 0 0 396.433 0.420 20 5 GCBDRN C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820769479 606714780 /nfs/dbraw/zinc/71/47/80/606714780.db2.gz UAVLGOJJTCKQKL-PSASIEDQSA-N 0 0 382.406 0.252 20 5 GCBDRN CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000821621731 606735163 /nfs/dbraw/zinc/73/51/63/606735163.db2.gz DMGCQDVVMXZHBV-UHFFFAOYSA-N 0 0 395.445 0.737 20 5 GCBDRN C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000820788481 606767620 /nfs/dbraw/zinc/76/76/20/606767620.db2.gz HYIKPKPQZUKRNF-SECBINFHSA-N 0 0 384.360 0.244 20 5 GCBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCO[C@H](CNc2cccnn2)C1 ZINC000823629794 606789452 /nfs/dbraw/zinc/78/94/52/606789452.db2.gz HGWODFYDYYPOFK-GFCCVEGCSA-N 0 0 383.372 0.882 20 5 GCBDRN C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000820788726 606829909 /nfs/dbraw/zinc/82/99/09/606829909.db2.gz NADRIUGSAQPSQH-NSHDSACASA-N 0 0 395.383 0.916 20 5 GCBDRN C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000820788376 606855216 /nfs/dbraw/zinc/85/52/16/606855216.db2.gz FPDUXHQOMWXJMF-NSHDSACASA-N 0 0 395.383 0.916 20 5 GCBDRN COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1=O ZINC000821669068 606862122 /nfs/dbraw/zinc/86/21/22/606862122.db2.gz WQQBFZATXBGRRE-CYBMUJFWSA-N 0 0 386.324 0.457 20 5 GCBDRN NC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850534 607003748 /nfs/dbraw/zinc/00/37/48/607003748.db2.gz JUKQKHYVTAJUJR-CYBMUJFWSA-N 0 0 383.324 0.741 20 5 GCBDRN NC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850535 607004007 /nfs/dbraw/zinc/00/40/07/607004007.db2.gz JUKQKHYVTAJUJR-ZDUSSCGKSA-N 0 0 383.324 0.741 20 5 GCBDRN Cc1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c(=O)n(C)c1 ZINC000822209420 607004232 /nfs/dbraw/zinc/00/42/32/607004232.db2.gz IIPUITODATZMDT-UHFFFAOYSA-N 0 0 391.369 0.583 20 5 GCBDRN NC(=O)CSc1nnc(Sc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])s1 ZINC000822873476 607163432 /nfs/dbraw/zinc/16/34/32/607163432.db2.gz BOGBTHDYPZNPTD-UHFFFAOYSA-N 0 0 397.427 0.750 20 5 GCBDRN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000822152057 607230668 /nfs/dbraw/zinc/23/06/68/607230668.db2.gz FFJCRQVQAGPPOW-UHFFFAOYSA-N 0 0 378.374 0.258 20 5 GCBDRN O=[N+]([O-])c1cc(N2CCN(c3ccc4nncn4n3)CC2)ccc1-c1nn[nH]n1 ZINC000826498450 607841539 /nfs/dbraw/zinc/84/15/39/607841539.db2.gz VHAPAARBFZVVII-UHFFFAOYSA-N 0 0 393.371 0.539 20 5 GCBDRN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826392689 608052440 /nfs/dbraw/zinc/05/24/40/608052440.db2.gz IZMIJMSRWXIKOY-AWEZNQCLSA-N 0 0 396.367 0.847 20 5 GCBDRN O=C(COc1cccc(-c2nn[nH]n2)c1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000826418410 608057539 /nfs/dbraw/zinc/05/75/39/608057539.db2.gz FVOATXAXFPCARK-UHFFFAOYSA-N 0 0 386.324 0.559 20 5 GCBDRN O=c1ccc([N+](=O)[O-])cn1CCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826501783 608061812 /nfs/dbraw/zinc/06/18/12/608061812.db2.gz HAQAFDZVQPKIBO-UHFFFAOYSA-N 0 0 397.399 0.154 20 5 GCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826327768 608081777 /nfs/dbraw/zinc/08/17/77/608081777.db2.gz UJHGHJPPQUZORF-CQSZACIVSA-N 0 0 398.383 0.880 20 5 GCBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826409524 608085077 /nfs/dbraw/zinc/08/50/77/608085077.db2.gz DASMWAAPWDCYGJ-HNNXBMFYSA-N 0 0 398.383 0.962 20 5 GCBDRN C[C@@]1(O)CCN(c2cc(N3CC[C@](C)(O)C3)cc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000824844511 608097595 /nfs/dbraw/zinc/09/75/95/608097595.db2.gz XPGHLBDGFMXBRK-DLBZAZTESA-N 0 0 389.416 0.697 20 5 GCBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000826475013 608109623 /nfs/dbraw/zinc/10/96/23/608109623.db2.gz OTHDFSANGFXKNF-UHFFFAOYSA-N 0 0 387.335 0.600 20 5 GCBDRN COCCOc1ccc(-c2nn[nH]n2)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000826161531 608138747 /nfs/dbraw/zinc/13/87/47/608138747.db2.gz NBMQRFRXANMLSB-UHFFFAOYSA-N 0 0 389.332 0.030 20 5 GCBDRN COCCOc1ccc(-c2nn[nH]n2)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000826161598 608138917 /nfs/dbraw/zinc/13/89/17/608138917.db2.gz PTLZGJXEQPPNIR-UHFFFAOYSA-N 0 0 388.344 0.635 20 5 GCBDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826246593 608163232 /nfs/dbraw/zinc/16/32/32/608163232.db2.gz HJVILZKDEXQOOY-CVEARBPZSA-N 0 0 398.379 0.908 20 5 GCBDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826246595 608163512 /nfs/dbraw/zinc/16/35/12/608163512.db2.gz HJVILZKDEXQOOY-HZPDHXFCSA-N 0 0 398.379 0.908 20 5 GCBDRN O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[nH]n2)cs1 ZINC000826425928 608163894 /nfs/dbraw/zinc/16/38/94/608163894.db2.gz ACMCOJGKHJGMHD-YPMHNXCESA-N 0 0 390.381 0.661 20 5 GCBDRN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000826158911 608278456 /nfs/dbraw/zinc/27/84/56/608278456.db2.gz IKOCGOGRQNCYEM-UHFFFAOYSA-N 0 0 386.372 0.797 20 5 GCBDRN NC(=O)c1cc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)n[nH]1 ZINC000826392600 608293616 /nfs/dbraw/zinc/29/36/16/608293616.db2.gz FAWUTIQQMSPJSY-SECBINFHSA-N 0 0 383.372 0.981 20 5 GCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826366720 608376783 /nfs/dbraw/zinc/37/67/83/608376783.db2.gz VCLHRJCQXLBNRL-UHFFFAOYSA-N 0 0 397.311 0.915 20 5 GCBDRN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000825938417 608391371 /nfs/dbraw/zinc/39/13/71/608391371.db2.gz SLUYOXOKTXFSAE-UHFFFAOYSA-N 0 0 384.364 0.192 20 5 GCBDRN O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826424718 608407336 /nfs/dbraw/zinc/40/73/36/608407336.db2.gz ZPPXENVGHMQQQA-UHFFFAOYSA-N 0 0 389.759 0.906 20 5 GCBDRN NC(=O)[C@@H](OC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000826388679 609349870 /nfs/dbraw/zinc/34/98/70/609349870.db2.gz GQJLRSDTCFCHNN-ZDUSSCGKSA-N 0 0 383.324 0.741 20 5 GCBDRN O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826458955 609356953 /nfs/dbraw/zinc/35/69/53/609356953.db2.gz OHNRTZIKONGMAL-UHFFFAOYSA-N 0 0 396.371 0.341 20 5 GCBDRN COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)c1cccc(-c2nn[nH]n2)c1 ZINC000826116922 609384642 /nfs/dbraw/zinc/38/46/42/609384642.db2.gz FMUVBTAORPIONF-LBPRGKRZSA-N 0 0 399.323 0.823 20 5 GCBDRN COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(-c2nn[nH]n2)cc1 ZINC000826117017 609384933 /nfs/dbraw/zinc/38/49/33/609384933.db2.gz GWGNFKOQWMUFOW-LBPRGKRZSA-N 0 0 399.323 0.823 20 5 GCBDRN 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383.407 0.606 20 5 GCBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC000564741239 530351113 /nfs/dbraw/zinc/35/11/13/530351113.db2.gz SNCSKBQYCWHTGP-LLVKDONJSA-N 0 0 384.819 0.076 20 5 GCBDRN COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299375580 530352768 /nfs/dbraw/zinc/35/27/68/530352768.db2.gz FXMLNXIGOZCTNS-SNVBAGLBSA-N 0 0 396.418 0.558 20 5 GCBDRN NC(=O)[C@@H]1CCCN1CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264615105 530375093 /nfs/dbraw/zinc/37/50/93/530375093.db2.gz QMNFSZSUXQLZLS-LBPRGKRZSA-N 0 0 390.849 0.866 20 5 GCBDRN CN(CC(=O)N1CCO[C@H](CF)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000412435545 530378376 /nfs/dbraw/zinc/37/83/76/530378376.db2.gz NADFVDQTFCPTDF-GFCCVEGCSA-N 0 0 375.378 0.412 20 5 GCBDRN CS(=O)(=O)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000264656803 530380404 /nfs/dbraw/zinc/38/04/04/530380404.db2.gz JIFOJWLPAVXXGD-UHFFFAOYSA-N 0 0 387.233 0.680 20 5 GCBDRN CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 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NS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000265940656 530124923 /nfs/dbraw/zinc/12/49/23/530124923.db2.gz FVUHNNKYMKNSME-SECBINFHSA-N 0 0 397.862 0.937 20 5 GCBDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000265951841 530124958 /nfs/dbraw/zinc/12/49/58/530124958.db2.gz HJBIQCAIOVOGJO-LLVKDONJSA-N 0 0 377.444 0.592 20 5 GCBDRN COc1ccc(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000265934595 530125230 /nfs/dbraw/zinc/12/52/30/530125230.db2.gz DWUHQDMBBVYVPG-SNVBAGLBSA-N 0 0 393.443 0.293 20 5 GCBDRN COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285969648 530125273 /nfs/dbraw/zinc/12/52/73/530125273.db2.gz LGBKILMQQMFFEW-VIFPVBQESA-N 0 0 382.753 0.950 20 5 GCBDRN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533381387 530125940 /nfs/dbraw/zinc/12/59/40/530125940.db2.gz RNVZMQHHFWBZAP-UKRRQHHQSA-N 0 0 389.861 0.836 20 5 GCBDRN CS(=O)(=O)N1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000559539914 530156828 /nfs/dbraw/zinc/15/68/28/530156828.db2.gz MSLZXXFLQGXGKL-UHFFFAOYSA-N 0 0 378.432 0.078 20 5 GCBDRN CS(=O)(=O)CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265995109 530127058 /nfs/dbraw/zinc/12/70/58/530127058.db2.gz JLVNAFYDSGAXQU-UHFFFAOYSA-N 0 0 377.444 0.091 20 5 GCBDRN CCS(=O)(=O)CCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276329993 530127191 /nfs/dbraw/zinc/12/71/91/530127191.db2.gz IITQJEAGIVTPIE-UHFFFAOYSA-N 0 0 394.427 0.437 20 5 GCBDRN COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000030324171 530127838 /nfs/dbraw/zinc/12/78/38/530127838.db2.gz IXEBZDLZYXAOQW-CYBMUJFWSA-N 0 0 392.455 0.727 20 5 GCBDRN NC(=O)[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC000011173876 530130047 /nfs/dbraw/zinc/13/00/47/530130047.db2.gz HEGFSTWRCQYLJJ-MRVPVSSYSA-N 0 0 382.320 0.152 20 5 GCBDRN CSc1nc(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000608986401 530134032 /nfs/dbraw/zinc/13/40/32/530134032.db2.gz BTUSLQQVPFDECG-UHFFFAOYSA-N 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GZXASIRGLALRML-ONGXEEELSA-N 0 0 377.444 0.833 20 5 GCBDRN CC(C)(C)OC(=O)[C@](C)(O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000463565600 530905437 /nfs/dbraw/zinc/90/54/37/530905437.db2.gz WTRXVQXLTAVFFD-CQSZACIVSA-N 0 0 375.403 0.747 20 5 GCBDRN CS(=O)(=O)NCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154087820 530905603 /nfs/dbraw/zinc/90/56/03/530905603.db2.gz RSDVZCWBLGZCJW-UHFFFAOYSA-N 0 0 394.247 0.955 20 5 GCBDRN CSC[C@@H](O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000274985874 530905746 /nfs/dbraw/zinc/90/57/46/530905746.db2.gz CGNWZMDVWAJZDT-LBPRGKRZSA-N 0 0 375.472 0.625 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)NC[C@@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000275053901 530906203 /nfs/dbraw/zinc/90/62/03/530906203.db2.gz IDNRHOQREXYGCD-CYBMUJFWSA-N 0 0 378.378 0.808 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000275028947 530906551 /nfs/dbraw/zinc/90/65/51/530906551.db2.gz CEQUKMDRMJYJOE-MRVPVSSYSA-N 0 0 382.391 0.550 20 5 GCBDRN Cc1cc(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc([N+](=O)[O-])c1F ZINC000271411923 530906722 /nfs/dbraw/zinc/90/67/22/530906722.db2.gz KKEBDTINBNRJJN-SNVBAGLBSA-N 0 0 395.434 0.732 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N(CCS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] ZINC000275134759 530906788 /nfs/dbraw/zinc/90/67/88/530906788.db2.gz CJOZRIZIUJFHKJ-UHFFFAOYSA-N 0 0 396.418 0.940 20 5 GCBDRN COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000275338995 530907881 /nfs/dbraw/zinc/90/78/81/530907881.db2.gz DOIOJBGOXMVPFU-OTHYDSGKSA-N 0 0 379.416 0.818 20 5 GCBDRN C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000275335746 530907909 /nfs/dbraw/zinc/90/79/09/530907909.db2.gz CZBMZMSHDLPRQD-VHMAXNEBSA-N 0 0 391.427 0.597 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCOCC2)c(Br)c1 ZINC000446936017 530907959 /nfs/dbraw/zinc/90/79/59/530907959.db2.gz JJRXYNUREOOUBN-UHFFFAOYSA-N 0 0 394.247 0.968 20 5 GCBDRN CCS(=O)(=O)CCN(C)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275430003 530908910 /nfs/dbraw/zinc/90/89/10/530908910.db2.gz RENDRUIQEKMLCI-UHFFFAOYSA-N 0 0 384.407 0.798 20 5 GCBDRN CNS(=O)(=O)CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000275997406 530909268 /nfs/dbraw/zinc/90/92/68/530909268.db2.gz KNCMRBXKRQNURQ-UHFFFAOYSA-N 0 0 391.349 0.849 20 5 GCBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000328260006 530909473 /nfs/dbraw/zinc/90/94/73/530909473.db2.gz CYTKFYFNIJOZNI-VIFPVBQESA-N 0 0 392.411 0.094 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N(CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000276027485 530909544 /nfs/dbraw/zinc/90/95/44/530909544.db2.gz VRXNZTOLWMRJLU-UHFFFAOYSA-N 0 0 378.378 0.905 20 5 GCBDRN COC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](C)O ZINC000275775463 530909724 /nfs/dbraw/zinc/90/97/24/530909724.db2.gz MQPRKRIGIBRECF-LDWIPMOCSA-N 0 0 397.203 0.558 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C[S@@](C)=O ZINC000276319890 530910266 /nfs/dbraw/zinc/91/02/66/530910266.db2.gz GPBCGQGIJGBTGE-XQHREBAHSA-N 0 0 378.428 0.769 20 5 GCBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCN(S(C)(=O)=O)CC1 ZINC000276097065 530910331 /nfs/dbraw/zinc/91/03/31/530910331.db2.gz RNABOQBNTATRNB-UHFFFAOYSA-N 0 0 377.444 0.470 20 5 GCBDRN NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594767724 530881117 /nfs/dbraw/zinc/88/11/17/530881117.db2.gz NOLUJGIWNZKVMN-LLVKDONJSA-N 0 0 382.423 0.734 20 5 GCBDRN NS(=O)(=O)c1c(NCCS(=O)(=O)NCC2CCC2)cccc1[N+](=O)[O-] ZINC000525960432 530881853 /nfs/dbraw/zinc/88/18/53/530881853.db2.gz YYNNHEGVONNWSE-UHFFFAOYSA-N 0 0 392.459 0.374 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)c(Br)c1 ZINC000594783960 530882706 /nfs/dbraw/zinc/88/27/06/530882706.db2.gz WHGXMYHVGRPAMB-KWQFWETISA-N 0 0 395.231 0.721 20 5 GCBDRN COCC[C@@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276213195 530910730 /nfs/dbraw/zinc/91/07/30/530910730.db2.gz LOXXJGYNNASHPB-CQSZACIVSA-N 0 0 376.387 0.447 20 5 GCBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC(NS(C)(=O)=O)C2)cc1C ZINC000619752103 530882873 /nfs/dbraw/zinc/88/28/73/530882873.db2.gz HQHBHMATYOGIPW-UHFFFAOYSA-N 0 0 377.444 0.570 20 5 GCBDRN COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000368905716 530883008 /nfs/dbraw/zinc/88/30/08/530883008.db2.gz LUXNGPOVJHJHQD-SNVBAGLBSA-N 0 0 378.428 0.659 20 5 GCBDRN Cc1ccc(C)c(S(=O)(=O)NC2CC(NS(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000619751983 530883112 /nfs/dbraw/zinc/88/31/12/530883112.db2.gz OBRVOOHNKCDQOX-UHFFFAOYSA-N 0 0 377.444 0.570 20 5 GCBDRN CCS(=O)(=O)CCN(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000270723358 530883496 /nfs/dbraw/zinc/88/34/96/530883496.db2.gz CGJCABAGPYOXJP-UHFFFAOYSA-N 0 0 391.833 0.871 20 5 GCBDRN O=[N+]([O-])c1cc(I)cc(CN2C[C@@H](O)[C@H](CO)C2)c1 ZINC000459703931 530883844 /nfs/dbraw/zinc/88/38/44/530883844.db2.gz LSIXFNBEVGPNTE-JOYOIKCWSA-N 0 0 378.166 0.984 20 5 GCBDRN O=[N+]([O-])c1cc(I)cc(CN2C[C@H](CO)[C@H](O)C2)c1 ZINC000459703929 530883899 /nfs/dbraw/zinc/88/38/99/530883899.db2.gz LSIXFNBEVGPNTE-BXKDBHETSA-N 0 0 378.166 0.984 20 5 GCBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@](F)(CO)C1 ZINC000619821402 530884424 /nfs/dbraw/zinc/88/44/24/530884424.db2.gz YPLKOHWRYRMAGE-AWEZNQCLSA-N 0 0 375.378 0.484 20 5 GCBDRN CCc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1[N+](=O)[O-] ZINC000594823898 530885653 /nfs/dbraw/zinc/88/56/53/530885653.db2.gz ZGDLIJVHNCVSRV-DGCLKSJQSA-N 0 0 378.428 0.248 20 5 GCBDRN CN(C)C(=O)COC1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000443480555 530910915 /nfs/dbraw/zinc/91/09/15/530910915.db2.gz CGJWYDJFDTVPFC-UHFFFAOYSA-N 0 0 377.806 0.726 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N(C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000275104671 530886356 /nfs/dbraw/zinc/88/63/56/530886356.db2.gz UZWXLAZQDMRCCD-UHFFFAOYSA-N 0 0 377.394 0.695 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)NCCN2C(=O)CCC2=O)cc1[N+](=O)[O-] ZINC000275107331 530886447 /nfs/dbraw/zinc/88/64/47/530886447.db2.gz VMCAAJATELXMSZ-UHFFFAOYSA-N 0 0 375.334 0.170 20 5 GCBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)c1C ZINC000010679949 530888203 /nfs/dbraw/zinc/88/82/03/530888203.db2.gz PIQSOZAVBMJKEN-UHFFFAOYSA-N 0 0 391.471 0.914 20 5 GCBDRN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000527011323 530889523 /nfs/dbraw/zinc/88/95/23/530889523.db2.gz QPBPDRMGFSGHRS-ZJUUUORDSA-N 0 0 376.412 0.060 20 5 GCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCCS(C)(=O)=O ZINC000424917360 530890280 /nfs/dbraw/zinc/89/02/80/530890280.db2.gz NQBFIVJMZACSQL-LLVKDONJSA-N 0 0 375.451 0.768 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)NC[C@@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000425185119 530890514 /nfs/dbraw/zinc/89/05/14/530890514.db2.gz QCTOLKGWEDXTLJ-SECBINFHSA-N 0 0 375.378 0.889 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCS(C)(=O)=O ZINC000425177914 530890972 /nfs/dbraw/zinc/89/09/72/530890972.db2.gz IWDHVPMWXGFXBG-UHFFFAOYSA-N 0 0 394.427 0.485 20 5 GCBDRN C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271115913 530891530 /nfs/dbraw/zinc/89/15/30/530891530.db2.gz OOWOMDNKEOLBBJ-RYUDHWBXSA-N 0 0 376.456 0.975 20 5 GCBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCCO3)CC2)s1 ZINC000271150091 530891573 /nfs/dbraw/zinc/89/15/73/530891573.db2.gz KARQVUQLNMIZNF-LLVKDONJSA-N 0 0 389.455 0.887 20 5 GCBDRN CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000372151239 530891838 /nfs/dbraw/zinc/89/18/38/530891838.db2.gz SNEHCVSWTSKXNP-JTQLQIEISA-N 0 0 376.822 0.810 20 5 GCBDRN C[C@@H]1CC[S@@](=O)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000372885647 530892888 /nfs/dbraw/zinc/89/28/88/530892888.db2.gz XXYUEHDJFIZSIA-VKTRGTBVSA-N 0 0 390.439 0.898 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N2CC[C@@H](C)S(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000372992625 530893016 /nfs/dbraw/zinc/89/30/16/530893016.db2.gz KWCZVACBYYQIJN-SECBINFHSA-N 0 0 396.418 0.940 20 5 GCBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ncncc1Cl ZINC000426097659 530893096 /nfs/dbraw/zinc/89/30/96/530893096.db2.gz CTLPEILDMSKROK-UHFFFAOYSA-N 0 0 385.789 0.747 20 5 GCBDRN C[C@@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CN1CCOCC1 ZINC000443241711 530893328 /nfs/dbraw/zinc/89/33/28/530893328.db2.gz UJCYDFKGTJORCR-CQSZACIVSA-N 0 0 377.394 0.095 20 5 GCBDRN COC(=O)c1cnc(NCCS(=O)(=O)N2CCSCC2)c([N+](=O)[O-])c1 ZINC000276746924 530911214 /nfs/dbraw/zinc/91/12/14/530911214.db2.gz HELQRWYOZNCBGS-UHFFFAOYSA-N 0 0 390.443 0.567 20 5 GCBDRN CN(C[C@@H](O)CN1CCOCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271224750 530894175 /nfs/dbraw/zinc/89/41/75/530894175.db2.gz DSUBSZFJQKETJQ-SNVBAGLBSA-N 0 0 379.460 0.189 20 5 GCBDRN CNC(=O)CN1CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000271245108 530894818 /nfs/dbraw/zinc/89/48/18/530894818.db2.gz IFBVQAHMHOAMKL-UHFFFAOYSA-N 0 0 376.460 0.682 20 5 GCBDRN CN(C1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000271239319 530894858 /nfs/dbraw/zinc/89/48/58/530894858.db2.gz HGXPRLGAQBCHOF-UHFFFAOYSA-N 0 0 397.500 0.920 20 5 GCBDRN Cc1nc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)sc1S(N)(=O)=O ZINC000549200594 530895255 /nfs/dbraw/zinc/89/52/55/530895255.db2.gz ZKDWLMHPLXYWCH-UHFFFAOYSA-N 0 0 384.443 0.729 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@](C)(O)C(F)(F)F ZINC000276400276 530911357 /nfs/dbraw/zinc/91/13/57/530911357.db2.gz SOTYYHYETGVBNG-LLVKDONJSA-N 0 0 386.304 0.973 20 5 GCBDRN CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000271262754 530896085 /nfs/dbraw/zinc/89/60/85/530896085.db2.gz LFOIGGWJQDIOMQ-GFCCVEGCSA-N 0 0 391.471 0.914 20 5 GCBDRN CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000271269148 530896097 /nfs/dbraw/zinc/89/60/97/530896097.db2.gz NBXZQMIOCCDVMQ-LLVKDONJSA-N 0 0 393.443 0.306 20 5 GCBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)NS(C)(=O)=O ZINC000068940750 530896142 /nfs/dbraw/zinc/89/61/42/530896142.db2.gz IGKRYBUTKZSYKB-UHFFFAOYSA-N 0 0 381.432 0.210 20 5 GCBDRN CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000271274938 530896921 /nfs/dbraw/zinc/89/69/21/530896921.db2.gz OTCHVQITHXSLPG-JTQLQIEISA-N 0 0 397.862 0.951 20 5 GCBDRN CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000271277847 530897046 /nfs/dbraw/zinc/89/70/46/530897046.db2.gz PRNXPFWJSBKCOV-SNVBAGLBSA-N 0 0 381.407 0.436 20 5 GCBDRN Cc1cc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596073543 530929171 /nfs/dbraw/zinc/92/91/71/530929171.db2.gz MTMMWVNMPGJLLK-UHFFFAOYSA-N 0 0 389.503 0.579 20 5 GCBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000619485013 530929695 /nfs/dbraw/zinc/92/96/95/530929695.db2.gz YIEXZEBMPQHHGI-NXEZZACHSA-N 0 0 378.428 0.800 20 5 GCBDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000549774731 530929778 /nfs/dbraw/zinc/92/97/78/530929778.db2.gz MDXVNSNUEIXIOT-VIFPVBQESA-N 0 0 393.443 0.137 20 5 GCBDRN CNS(=O)(=O)NC1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000500244981 530930012 /nfs/dbraw/zinc/93/00/12/530930012.db2.gz 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380.448 0.014 20 5 GCBDRN COc1ccc(NC(=O)NCCNS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000277077342 530913325 /nfs/dbraw/zinc/91/33/25/530913325.db2.gz MAPQIWBMQMMLGX-UHFFFAOYSA-N 0 0 375.407 0.557 20 5 GCBDRN Cc1sc(S(=O)(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000467046890 530913598 /nfs/dbraw/zinc/91/35/98/530913598.db2.gz PFGUBNFSKPCQEU-NXEZZACHSA-N 0 0 397.500 0.961 20 5 GCBDRN Cc1sc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467043000 530914111 /nfs/dbraw/zinc/91/41/11/530914111.db2.gz DOQPWNCMMFPXSD-QMMMGPOBSA-N 0 0 383.473 0.619 20 5 GCBDRN Cc1cc(Br)c(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000277619323 530914585 /nfs/dbraw/zinc/91/45/85/530914585.db2.gz WBPMCCPIMIJUJY-QWRGUYRKSA-N 0 0 388.174 0.168 20 5 GCBDRN Cc1sc(S(=O)(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000467075988 530914688 /nfs/dbraw/zinc/91/46/88/530914688.db2.gz RXWIJCCLGDVZKH-JTQLQIEISA-N 0 0 385.427 0.782 20 5 GCBDRN 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COC(=O)C[C@@H](O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000600462921 530923491 /nfs/dbraw/zinc/92/34/91/530923491.db2.gz KFXBOMRNFCWQMN-SNVBAGLBSA-N 0 0 375.175 0.940 20 5 GCBDRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(F)F ZINC000282640197 530923896 /nfs/dbraw/zinc/92/38/96/530923896.db2.gz SZRUTKPTDUDEOR-UHFFFAOYSA-N 0 0 380.325 0.829 20 5 GCBDRN CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472632696 530923974 /nfs/dbraw/zinc/92/39/74/530923974.db2.gz QUJMDKYTOMXACC-UHFFFAOYSA-N 0 0 376.366 0.116 20 5 GCBDRN COCCN1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1=O ZINC000282387168 530924174 /nfs/dbraw/zinc/92/41/74/530924174.db2.gz JNXUNBXRMZGHMG-UHFFFAOYSA-N 0 0 377.806 0.993 20 5 GCBDRN CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000282480340 530924198 /nfs/dbraw/zinc/92/41/98/530924198.db2.gz XNMNUKVDSOUSDC-SNVBAGLBSA-N 0 0 385.423 0.951 20 5 GCBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000619476099 530924207 /nfs/dbraw/zinc/92/42/07/530924207.db2.gz DSIYNFIRAPTAST-JTQLQIEISA-N 0 0 393.443 0.306 20 5 GCBDRN COC(=O)C1(O)CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000271707485 530924876 /nfs/dbraw/zinc/92/48/76/530924876.db2.gz RCWZOGMUPRUGRE-UHFFFAOYSA-N 0 0 376.362 0.731 20 5 GCBDRN CS(=O)(=O)N1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000147350316 530925019 /nfs/dbraw/zinc/92/50/19/530925019.db2.gz PMUKYJFXULPDDR-UHFFFAOYSA-N 0 0 378.432 0.078 20 5 GCBDRN COC[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000283521030 530925105 /nfs/dbraw/zinc/92/51/05/530925105.db2.gz BCCQBVPEVFQQLI-MRVPVSSYSA-N 0 0 380.138 0.937 20 5 GCBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN(CC(N)=O)CC1 ZINC000283277122 530925274 /nfs/dbraw/zinc/92/52/74/530925274.db2.gz DPSRPLGSTUFKJE-UHFFFAOYSA-N 0 0 385.218 0.909 20 5 GCBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@]1(O)CCSC1)OCCO2 ZINC000269779652 530925730 /nfs/dbraw/zinc/92/57/30/530925730.db2.gz HYHRGCMFRUXBAB-CYBMUJFWSA-N 0 0 376.412 0.512 20 5 GCBDRN COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000269761568 530926128 /nfs/dbraw/zinc/92/61/28/530926128.db2.gz HHHLFSTXGQXLDC-PELKAZGASA-N 0 0 378.790 0.854 20 5 GCBDRN COCCN(C(=O)CSc1ncccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000284371411 530926316 /nfs/dbraw/zinc/92/63/16/530926316.db2.gz XNDITLMQJBNVPP-LLVKDONJSA-N 0 0 389.455 0.744 20 5 GCBDRN CNS(=O)(=O)c1ccc(NC2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000022239993 530926342 /nfs/dbraw/zinc/92/63/42/530926342.db2.gz JEERJCPVGIIGQE-UHFFFAOYSA-N 0 0 392.459 0.339 20 5 GCBDRN CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000285324977 530927071 /nfs/dbraw/zinc/92/70/71/530927071.db2.gz NXECTWNNGOCXIU-UHFFFAOYSA-N 0 0 395.434 0.684 20 5 GCBDRN CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000285286678 530927140 /nfs/dbraw/zinc/92/71/40/530927140.db2.gz JZDKZILCROGOFE-NXEZZACHSA-N 0 0 381.204 0.738 20 5 GCBDRN CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000269789389 530927237 /nfs/dbraw/zinc/92/72/37/530927237.db2.gz JNYJAFNDPUSWIP-NSHDSACASA-N 0 0 377.394 0.048 20 5 GCBDRN O=C(Cn1cc(Cl)cn1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000489479464 530927403 /nfs/dbraw/zinc/92/74/03/530927403.db2.gz JQUOFYVXJNFVFY-UHFFFAOYSA-N 0 0 387.805 0.539 20 5 GCBDRN COc1ccc(S(=O)(=O)NCCS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000299400833 530927769 /nfs/dbraw/zinc/92/77/69/530927769.db2.gz KIQQEOTVVWAFSA-UHFFFAOYSA-N 0 0 381.432 0.210 20 5 GCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N(CCO)Cc1cccc(Br)c1 ZINC000490254284 530928490 /nfs/dbraw/zinc/92/84/90/530928490.db2.gz UMPAQQHATRWABB-UHFFFAOYSA-N 0 0 384.190 0.970 20 5 GCBDRN CC[C@H](CNS(C)(=O)=O)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000296444749 530962206 /nfs/dbraw/zinc/96/22/06/530962206.db2.gz HJHJVIFGCOWUBA-MRVPVSSYSA-N 0 0 392.821 0.631 20 5 GCBDRN CC[C@H](CNS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000296466586 530963886 /nfs/dbraw/zinc/96/38/86/530963886.db2.gz JCOBPPLZJGZEFE-MRVPVSSYSA-N 0 0 392.821 0.631 20 5 GCBDRN C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CS1(=O)=O ZINC000598193836 530964560 /nfs/dbraw/zinc/96/45/60/530964560.db2.gz SYHRFNAIDPQKGV-GXSJLCMTSA-N 0 0 390.439 0.694 20 5 GCBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2CN(S(C)(=O)=O)C2)c1 ZINC000494335231 530934956 /nfs/dbraw/zinc/93/49/56/530934956.db2.gz YCULZUORAIYYNS-UHFFFAOYSA-N 0 0 377.444 0.381 20 5 GCBDRN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CS(=O)(=O)CCO2)cc1[N+](=O)[O-] ZINC000493916607 530935138 /nfs/dbraw/zinc/93/51/38/530935138.db2.gz LMEHNWYZLCOZTQ-LLVKDONJSA-N 0 0 378.428 0.304 20 5 GCBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000494371289 530935187 /nfs/dbraw/zinc/93/51/87/530935187.db2.gz UINPCFBCAWGXSW-UHFFFAOYSA-N 0 0 377.444 0.327 20 5 GCBDRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000493990928 530935223 /nfs/dbraw/zinc/93/52/23/530935223.db2.gz DTVRNYSEDKFBPK-LLVKDONJSA-N 0 0 377.444 0.653 20 5 GCBDRN CS(=O)(=O)N[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000603628895 530935653 /nfs/dbraw/zinc/93/56/53/530935653.db2.gz DDKTUJNFJZMYAR-JTQLQIEISA-N 0 0 377.444 0.516 20 5 GCBDRN COC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000494433909 530935697 /nfs/dbraw/zinc/93/56/97/530935697.db2.gz KOJGLAWLMKXONV-UHFFFAOYSA-N 0 0 377.806 0.728 20 5 GCBDRN CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000494782597 530935811 /nfs/dbraw/zinc/93/58/11/530935811.db2.gz CFPIVQHMJNKOIV-SNVBAGLBSA-N 0 0 397.862 0.951 20 5 GCBDRN CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000494787670 530936067 /nfs/dbraw/zinc/93/60/67/530936067.db2.gz LAVSEUZHSMMQDJ-LBPRGKRZSA-N 0 0 391.471 0.914 20 5 GCBDRN CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000494786013 530936421 /nfs/dbraw/zinc/93/64/21/530936421.db2.gz CUGRIMBZLQVGGT-NSHDSACASA-N 0 0 377.444 0.606 20 5 GCBDRN COc1ccc(S(=O)(=O)N2CC(=O)N(CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000486706877 530936514 /nfs/dbraw/zinc/93/65/14/530936514.db2.gz LLNJBVCSTXWMAK-UHFFFAOYSA-N 0 0 383.304 0.956 20 5 GCBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)S(N)(=O)=O ZINC000596178653 530936611 /nfs/dbraw/zinc/93/66/11/530936611.db2.gz JCJVQJOYTSYSLQ-SECBINFHSA-N 0 0 380.448 0.372 20 5 GCBDRN CCS(=O)(=O)NC1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000603929907 530936869 /nfs/dbraw/zinc/93/68/69/530936869.db2.gz PDXUNHPWOXGKPF-UHFFFAOYSA-N 0 0 392.459 0.150 20 5 GCBDRN COc1ccc(S(=O)(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000604032507 530937279 /nfs/dbraw/zinc/93/72/79/530937279.db2.gz PKKMNHZYMGCLLL-JTQLQIEISA-N 0 0 393.443 0.306 20 5 GCBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCCCCS(N)(=O)=O)cc1OC ZINC000504458129 530938097 /nfs/dbraw/zinc/93/80/97/530938097.db2.gz LMYIEIPVSFKKFM-UHFFFAOYSA-N 0 0 375.403 0.801 20 5 GCBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000619496801 530938671 /nfs/dbraw/zinc/93/86/71/530938671.db2.gz PWUKQUAIUFVVJG-SNVBAGLBSA-N 0 0 378.428 0.801 20 5 GCBDRN CN(C)C(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000604433642 530938760 /nfs/dbraw/zinc/93/87/60/530938760.db2.gz JFVJXAKKNKDAKO-UHFFFAOYSA-N 0 0 390.849 0.643 20 5 GCBDRN CN(C)S(=O)(=O)C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C(F)(F)F ZINC000596230145 530938708 /nfs/dbraw/zinc/93/87/08/530938708.db2.gz HQWZOJWTWUDHNW-JTQLQIEISA-N 0 0 384.336 0.928 20 5 GCBDRN CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619492522 530938855 /nfs/dbraw/zinc/93/88/55/530938855.db2.gz TUTIZOPQGHYIJV-NSHDSACASA-N 0 0 376.387 0.802 20 5 GCBDRN CS(=O)(=O)N1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596229210 530938931 /nfs/dbraw/zinc/93/89/31/530938931.db2.gz GLXYNLXRBUKKBF-LLVKDONJSA-N 0 0 392.459 0.468 20 5 GCBDRN CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619492521 530939369 /nfs/dbraw/zinc/93/93/69/530939369.db2.gz TUTIZOPQGHYIJV-LLVKDONJSA-N 0 0 376.387 0.802 20 5 GCBDRN CCS(=O)(=O)NC1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000497517265 530939748 /nfs/dbraw/zinc/93/97/48/530939748.db2.gz SNRUAKSJAUOCSG-UHFFFAOYSA-N 0 0 391.471 0.906 20 5 GCBDRN C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000497953960 530940887 /nfs/dbraw/zinc/94/08/87/530940887.db2.gz XPPPUQVXRILMBQ-SECBINFHSA-N 0 0 377.806 0.462 20 5 GCBDRN CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000507434627 530941210 /nfs/dbraw/zinc/94/12/10/530941210.db2.gz NELIKFXCVZLSKM-UHFFFAOYSA-N 0 0 379.460 0.853 20 5 GCBDRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000499318402 530942964 /nfs/dbraw/zinc/94/29/64/530942964.db2.gz DGKAFBVUUZPKSR-UWVGGRQHSA-N 0 0 392.455 0.892 20 5 GCBDRN O=[N+]([O-])c1cncc(I)c1N1CCC(O)(CO)CC1 ZINC000596458322 530944015 /nfs/dbraw/zinc/94/40/15/530944015.db2.gz CSXGOCHGBBIVMU-UHFFFAOYSA-N 0 0 379.154 0.918 20 5 GCBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000269835744 530948203 /nfs/dbraw/zinc/94/82/03/530948203.db2.gz AMYZLYXONDHKJD-LBPRGKRZSA-N 0 0 391.471 0.771 20 5 GCBDRN COc1ccc(S(=O)(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000269846244 530948400 /nfs/dbraw/zinc/94/84/00/530948400.db2.gz DOVNAAOHOLBGKB-SNVBAGLBSA-N 0 0 393.443 0.163 20 5 GCBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000269866573 530950301 /nfs/dbraw/zinc/95/03/01/530950301.db2.gz KZYITYLOTVTYRO-LLVKDONJSA-N 0 0 377.444 0.463 20 5 GCBDRN COc1ccc(S(=O)(=O)NC[C@H]2CCCN2S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000269864346 530950666 /nfs/dbraw/zinc/95/06/66/530950666.db2.gz KJNZIPDRQAWRLJ-SNVBAGLBSA-N 0 0 393.443 0.306 20 5 GCBDRN Cc1nnc(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000596924044 530950801 /nfs/dbraw/zinc/95/08/01/530950801.db2.gz RSKITKIRSKNDPS-UHFFFAOYSA-N 0 0 385.427 0.392 20 5 GCBDRN CN(C)S(=O)(=O)NCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093736 530951972 /nfs/dbraw/zinc/95/19/72/530951972.db2.gz WXHCPDYHWWNZAV-UHFFFAOYSA-N 0 0 380.814 0.348 20 5 GCBDRN COC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000487102555 530978223 /nfs/dbraw/zinc/97/82/23/530978223.db2.gz JZTVIHXEYBNVCA-CQSZACIVSA-N 0 0 376.387 0.850 20 5 GCBDRN O=C(NCCOCCO)c1cc(I)cc([N+](=O)[O-])c1 ZINC000122648970 530979035 /nfs/dbraw/zinc/97/90/35/530979035.db2.gz YFBRVAMPJLMRJR-UHFFFAOYSA-N 0 0 380.138 0.938 20 5 GCBDRN CCc1ccc(S(=O)(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000576035460 530969574 /nfs/dbraw/zinc/96/95/74/530969574.db2.gz NJCQFIQXHJFWBJ-NSHDSACASA-N 0 0 391.471 0.717 20 5 GCBDRN CCN(CCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)S(C)(=O)=O ZINC000054124493 530998543 /nfs/dbraw/zinc/99/85/43/530998543.db2.gz MSCDGQKWCHQEMD-UHFFFAOYSA-N 0 0 380.448 0.326 20 5 GCBDRN CCn1cc(S(=O)(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000444216271 530992135 /nfs/dbraw/zinc/99/21/35/530992135.db2.gz CLPCSCJFXOXOHP-NSHDSACASA-N 0 0 375.451 0.277 20 5 GCBDRN CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275348827 530994148 /nfs/dbraw/zinc/99/41/48/530994148.db2.gz GFYINCZWCYBBCA-MRVPVSSYSA-N 0 0 384.407 0.844 20 5 GCBDRN CSC[C@H](O)CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000275030348 530995964 /nfs/dbraw/zinc/99/59/64/530995964.db2.gz PFECRPQPJVMOGJ-GFCCVEGCSA-N 0 0 389.499 0.844 20 5 GCBDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cs1 ZINC000487114410 530985697 /nfs/dbraw/zinc/98/56/97/530985697.db2.gz BRAZNRNOSFQWNN-UHFFFAOYSA-N 0 0 385.427 0.835 20 5 GCBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@]2(O)CCOC2)c1 ZINC000269993244 530987230 /nfs/dbraw/zinc/98/72/30/530987230.db2.gz PMWYUBGTFVCJGA-NSHDSACASA-N 0 0 381.204 0.787 20 5 GCBDRN NS(=O)(=O)CC1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272317695 530989897 /nfs/dbraw/zinc/98/98/97/530989897.db2.gz ZUCSGJFGJCKWDX-UHFFFAOYSA-N 0 0 385.427 0.740 20 5 GCBDRN C[C@@H]1CN=C(N2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)S1 ZINC000272334278 530990269 /nfs/dbraw/zinc/99/02/69/530990269.db2.gz ANFPZYDTCACYCD-SNVBAGLBSA-N 0 0 385.471 0.856 20 5 GCBDRN Cc1c(Cl)cc(S(=O)(=O)NCCN2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000272706073 531007240 /nfs/dbraw/zinc/00/72/40/531007240.db2.gz UGUPURHKTGZXNM-UHFFFAOYSA-N 0 0 376.822 0.267 20 5 GCBDRN CNS(=O)(=O)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000296749879 531007487 /nfs/dbraw/zinc/00/74/87/531007487.db2.gz NVSREYPYGNXGHP-UHFFFAOYSA-N 0 0 377.810 0.862 20 5 GCBDRN Cc1cc(S(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)c(C)cc1[N+](=O)[O-] ZINC000416446965 531029576 /nfs/dbraw/zinc/02/95/76/531029576.db2.gz AVBVCTYBPDMQPH-LLVKDONJSA-N 0 0 377.444 0.653 20 5 GCBDRN Cc1cc(S(=O)(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c(C)cc1[N+](=O)[O-] ZINC000416443294 531029860 /nfs/dbraw/zinc/02/98/60/531029860.db2.gz GUPBFNOHUFUPTB-GFCCVEGCSA-N 0 0 391.471 0.771 20 5 GCBDRN COCC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O ZINC000416453202 531031147 /nfs/dbraw/zinc/03/11/47/531031147.db2.gz FXCOEIYKARCKJE-QMMMGPOBSA-N 0 0 385.320 0.782 20 5 GCBDRN O=C1CNC(=O)N1CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 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COc1cc(S(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000376830574 530900133 /nfs/dbraw/zinc/90/01/33/530900133.db2.gz DUIPDHXFSGTRGK-SNVBAGLBSA-N 0 0 379.416 0.045 20 5 GCBDRN C[C@@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)S(C)(=O)=O ZINC000533149812 530900172 /nfs/dbraw/zinc/90/01/72/530900172.db2.gz QRHYGIQXJZVJPR-QMMMGPOBSA-N 0 0 380.400 0.077 20 5 GCBDRN COc1cc(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000376830573 530900336 /nfs/dbraw/zinc/90/03/36/530900336.db2.gz DUIPDHXFSGTRGK-JTQLQIEISA-N 0 0 379.416 0.045 20 5 GCBDRN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000377011166 530900359 /nfs/dbraw/zinc/90/03/59/530900359.db2.gz DPMHHUAEDVPMJF-LBPRGKRZSA-N 0 0 375.451 0.201 20 5 GCBDRN CNS(=O)(=O)c1ccc(N2CCC[C@H](S(=O)(=O)NC)C2)c([N+](=O)[O-])c1 ZINC000377651454 530901837 /nfs/dbraw/zinc/90/18/37/530901837.db2.gz UEWDQSAHUSLUHV-NSHDSACASA-N 0 0 392.459 0.021 20 5 GCBDRN CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000378230427 530903178 /nfs/dbraw/zinc/90/31/78/530903178.db2.gz GUSSISMREIBSBD-VIFPVBQESA-N 0 0 383.835 0.560 20 5 GCBDRN CC(C)NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000378194403 530903311 /nfs/dbraw/zinc/90/33/11/530903311.db2.gz JKRBHHVWLJQYDC-JTQLQIEISA-N 0 0 395.434 0.825 20 5 GCBDRN NC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000378553973 530903949 /nfs/dbraw/zinc/90/39/49/530903949.db2.gz XAQMLEGZTSFXBF-UHFFFAOYSA-N 0 0 386.777 0.184 20 5 GCBDRN CNS(=O)(=O)[C@@H]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000535018462 530904126 /nfs/dbraw/zinc/90/41/26/530904126.db2.gz PQGLMFROYVHERT-SNVBAGLBSA-N 0 0 377.444 0.516 20 5 GCBDRN CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000463221929 530904557 /nfs/dbraw/zinc/90/45/57/530904557.db2.gz MPUODLGXYABUKS-WDEREUQCSA-N 0 0 377.444 0.734 20 5 GCBDRN COC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)O ZINC000274332012 530904586 /nfs/dbraw/zinc/90/45/86/530904586.db2.gz FZWAUHKUBRUOQX-WKEGUHRASA-N 0 0 397.203 0.558 20 5 GCBDRN COCCCCS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274597343 530904954 /nfs/dbraw/zinc/90/49/54/530904954.db2.gz CPYMKODFANEIFT-UHFFFAOYSA-N 0 0 395.459 0.219 20 5 GCBDRN Cc1cc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc([N+](=O)[O-])c1F ZINC000271398478 530905022 /nfs/dbraw/zinc/90/50/22/530905022.db2.gz IIYABIUQUPOIOP-UHFFFAOYSA-N 0 0 375.378 0.570 20 5 GCBDRN CC(C)(C)OC(=O)[C@](C)(O)CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000463565462 530905542 /nfs/dbraw/zinc/90/55/42/530905542.db2.gz HVNRBHNTBMRGMP-CQSZACIVSA-N 0 0 375.403 0.747 20 5 GCBDRN COCC[C@@H](C)S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000463684181 530905691 /nfs/dbraw/zinc/90/56/91/530905691.db2.gz KFOOMNCEYRNHOM-LLVKDONJSA-N 0 0 395.459 0.218 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000275080918 530906031 /nfs/dbraw/zinc/90/60/31/530906031.db2.gz NQCQAZCUVHGFIO-HQJQHLMTSA-N 0 0 377.350 0.006 20 5 GCBDRN Cc1cc(S(=O)(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc([N+](=O)[O-])c1F ZINC000271411920 530906011 /nfs/dbraw/zinc/90/60/11/530906011.db2.gz KKEBDTINBNRJJN-JTQLQIEISA-N 0 0 395.434 0.732 20 5 GCBDRN COC(=O)CN(CC(=O)OC)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000271403859 530906555 /nfs/dbraw/zinc/90/65/55/530906555.db2.gz JEJIBMPZBNCRCT-UHFFFAOYSA-N 0 0 378.334 0.379 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1[N+](=O)[O-] ZINC000275085623 530906838 /nfs/dbraw/zinc/90/68/38/530906838.db2.gz PABAKYSYGGNTTM-HQJQHLMTSA-N 0 0 377.350 0.054 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-] ZINC000275085625 530907014 /nfs/dbraw/zinc/90/70/14/530907014.db2.gz PABAKYSYGGNTTM-WRWORJQWSA-N 0 0 377.350 0.054 20 5 GCBDRN COC[C@@H](CCO)NS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000275335827 530907872 /nfs/dbraw/zinc/90/78/72/530907872.db2.gz DACHHZCYKJZDRG-SECBINFHSA-N 0 0 377.375 0.449 20 5 GCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCS2(=O)=O)c2ncccc12 ZINC000464204859 530907942 /nfs/dbraw/zinc/90/79/42/530907942.db2.gz GTNQGXKMRQZJBQ-SNVBAGLBSA-N 0 0 385.423 0.999 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)NCCN2CCCOCC2)cc1[N+](=O)[O-] ZINC000275429661 530908634 /nfs/dbraw/zinc/90/86/34/530908634.db2.gz FAMWTDVSBPYTQT-UHFFFAOYSA-N 0 0 377.394 0.743 20 5 GCBDRN Cc1cc(C)c(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277022723 530911765 /nfs/dbraw/zinc/91/17/65/530911765.db2.gz HOSNCDFFGJFJAI-LBPRGKRZSA-N 0 0 391.471 0.866 20 5 GCBDRN CSCCN(C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000447329828 530909336 /nfs/dbraw/zinc/90/93/36/530909336.db2.gz AJMNACHRZIANJH-UHFFFAOYSA-N 0 0 376.460 0.878 20 5 GCBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000328260002 530909348 /nfs/dbraw/zinc/90/93/48/530909348.db2.gz CYTKFYFNIJOZNI-SECBINFHSA-N 0 0 392.411 0.094 20 5 GCBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCS1(=O)=O ZINC000328375794 530909437 /nfs/dbraw/zinc/90/94/37/530909437.db2.gz LCAPRGRLLOOYEW-SNVBAGLBSA-N 0 0 392.411 0.237 20 5 GCBDRN COC(=O)[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)O ZINC000275689752 530909448 /nfs/dbraw/zinc/90/94/48/530909448.db2.gz DICYFKGCCJIRSC-WKEGUHRASA-N 0 0 397.203 0.558 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CS(C)(=O)=O ZINC000276353177 530910105 /nfs/dbraw/zinc/91/01/05/530910105.db2.gz LMFJNYZEBHOIKI-QMMMGPOBSA-N 0 0 380.400 0.093 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CS(C)(=O)=O ZINC000276353175 530910388 /nfs/dbraw/zinc/91/03/88/530910388.db2.gz LMFJNYZEBHOIKI-MRVPVSSYSA-N 0 0 380.400 0.093 20 5 GCBDRN CC(C)OCCOC[C@H](O)CN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761164 530880699 /nfs/dbraw/zinc/88/06/99/530880699.db2.gz HDYHVEARZKXVNF-GFCCVEGCSA-N 0 0 377.419 0.413 20 5 GCBDRN CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594776246 530881347 /nfs/dbraw/zinc/88/13/47/530881347.db2.gz WSXFCUCGZIHJHO-UHFFFAOYSA-N 0 0 388.427 0.313 20 5 GCBDRN CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000368786552 530881704 /nfs/dbraw/zinc/88/17/04/530881704.db2.gz MHXAAKQKFVRBJX-MRVPVSSYSA-N 0 0 397.406 0.055 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000276287896 530910754 /nfs/dbraw/zinc/91/07/54/530910754.db2.gz ZEMPZAYYVREFID-VIFPVBQESA-N 0 0 392.411 0.189 20 5 GCBDRN CC[S@](=O)CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422115387 530883841 /nfs/dbraw/zinc/88/38/41/530883841.db2.gz MFWDTDUUMHSREM-QHCPKHFHSA-N 0 0 377.444 0.100 20 5 GCBDRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000594822827 530885469 /nfs/dbraw/zinc/88/54/69/530885469.db2.gz PTPFRYKOJBKJDF-NWDGAFQWSA-N 0 0 378.428 0.302 20 5 GCBDRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594826016 530885661 /nfs/dbraw/zinc/88/56/61/530885661.db2.gz FUECYVIYOMJXTG-WCBMZHEXSA-N 0 0 384.819 0.339 20 5 GCBDRN CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594827110 530886194 /nfs/dbraw/zinc/88/61/94/530886194.db2.gz RXOBGCKEEPMQDY-ZJUUUORDSA-N 0 0 384.819 0.339 20 5 GCBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCC1(CO)COC1 ZINC000276608372 530910924 /nfs/dbraw/zinc/91/09/24/530910924.db2.gz SDUZQLBHSWFMCU-UHFFFAOYSA-N 0 0 395.231 0.953 20 5 GCBDRN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000270916065 530887521 /nfs/dbraw/zinc/88/75/21/530887521.db2.gz MVCBIWNNRNAJAT-CYBMUJFWSA-N 0 0 376.456 0.976 20 5 GCBDRN O=[N+]([O-])c1ccc(Cl)c(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000270933608 530887613 /nfs/dbraw/zinc/88/76/13/530887613.db2.gz XGLSCBGHZHWSPX-HUUCEWRRSA-N 0 0 389.861 0.524 20 5 GCBDRN CC(C)NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000370802133 530887732 /nfs/dbraw/zinc/88/77/32/530887732.db2.gz BILUEDJGTWFKCL-VIFPVBQESA-N 0 0 383.473 0.747 20 5 GCBDRN CS(=O)(=O)N1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000270915893 530887809 /nfs/dbraw/zinc/88/78/09/530887809.db2.gz MOCZBUXJDORSMR-UHFFFAOYSA-N 0 0 391.471 0.434 20 5 GCBDRN NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000370368973 530888220 /nfs/dbraw/zinc/88/82/20/530888220.db2.gz YRYNRNYRXVHWJK-GFCCVEGCSA-N 0 0 377.444 0.220 20 5 GCBDRN CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000370999070 530888560 /nfs/dbraw/zinc/88/85/60/530888560.db2.gz OYEVTUSPOJIXBK-JTQLQIEISA-N 0 0 376.822 0.810 20 5 GCBDRN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000276856074 530911006 /nfs/dbraw/zinc/91/10/06/530911006.db2.gz FOEVCJHUICDRGX-LBPRGKRZSA-N 0 0 391.471 0.914 20 5 GCBDRN O=[N+]([O-])c1ccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(Cl)c1 ZINC000271002300 530889054 /nfs/dbraw/zinc/88/90/54/530889054.db2.gz GLOAPRCUACPRCJ-KBPBESRZSA-N 0 0 375.834 0.528 20 5 GCBDRN CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000371394135 530889454 /nfs/dbraw/zinc/88/94/54/530889454.db2.gz XGPQERHZEVURGF-SECBINFHSA-N 0 0 381.407 0.355 20 5 GCBDRN O=C(NCCCF)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000371628242 530889720 /nfs/dbraw/zinc/88/97/20/530889720.db2.gz LSOXWILOBVYWRB-JQWIXIFHSA-N 0 0 375.378 0.195 20 5 GCBDRN Cc1cc(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc([N+](=O)[O-])c1F ZINC000371545783 530890029 /nfs/dbraw/zinc/89/00/29/530890029.db2.gz JRHGAMMWJUPBCN-VIFPVBQESA-N 0 0 381.407 0.484 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)S(C)(=O)=O ZINC000527290838 530890074 /nfs/dbraw/zinc/89/00/74/530890074.db2.gz NJRKEJJZNYHQFN-QMMMGPOBSA-N 0 0 380.400 0.093 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000275185706 530890070 /nfs/dbraw/zinc/89/00/70/530890070.db2.gz LHQYDBINDJMGJE-UHFFFAOYSA-N 0 0 397.406 0.056 20 5 GCBDRN COCCN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O ZINC000271070687 530890446 /nfs/dbraw/zinc/89/04/46/530890446.db2.gz MWOITZWUIOSDOD-UHFFFAOYSA-N 0 0 377.806 0.728 20 5 GCBDRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000549445071 530911091 /nfs/dbraw/zinc/91/10/91/530911091.db2.gz GBQDXKKHQSMHSQ-UHFFFAOYSA-N 0 0 388.427 0.553 20 5 GCBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000372070612 530890693 /nfs/dbraw/zinc/89/06/93/530890693.db2.gz PBNJNUJHWMQIGL-GFCCVEGCSA-N 0 0 391.471 0.994 20 5 GCBDRN CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000371957987 530890753 /nfs/dbraw/zinc/89/07/53/530890753.db2.gz CAYPIWXLAYXXBE-LBPRGKRZSA-N 0 0 377.444 0.438 20 5 GCBDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000276808309 530911152 /nfs/dbraw/zinc/91/11/52/530911152.db2.gz LTOMWYNYPHDCOZ-UHFFFAOYSA-N 0 0 377.444 0.478 20 5 GCBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000372069926 530890922 /nfs/dbraw/zinc/89/09/22/530890922.db2.gz HZXKIHZIRMOSJO-ZDUSSCGKSA-N 0 0 391.471 0.994 20 5 GCBDRN COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000425225887 530891365 /nfs/dbraw/zinc/89/13/65/530891365.db2.gz PROQMNACPZUZFF-SECBINFHSA-N 0 0 375.334 0.168 20 5 GCBDRN CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000372151266 530891514 /nfs/dbraw/zinc/89/15/14/530891514.db2.gz SWFOSKFDGUGXKF-LLVKDONJSA-N 0 0 377.444 0.524 20 5 GCBDRN CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000372837028 530892144 /nfs/dbraw/zinc/89/21/44/530892144.db2.gz LHOYMFBZHLADGG-ZDUSSCGKSA-N 0 0 391.471 0.481 20 5 GCBDRN NS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000372677372 530892355 /nfs/dbraw/zinc/89/23/55/530892355.db2.gz UUCIIDPZDJDENS-SECBINFHSA-N 0 0 390.805 0.466 20 5 GCBDRN CCOC(=O)c1cc(S(=O)(=O)NC[C@H](O)COC)cc([N+](=O)[O-])c1C ZINC000443214473 530892800 /nfs/dbraw/zinc/89/28/00/530892800.db2.gz LCQISTFJDANKNG-JTQLQIEISA-N 0 0 376.387 0.366 20 5 GCBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[S@](=O)CC[C@H]1C ZINC000372890961 530892962 /nfs/dbraw/zinc/89/29/62/530892962.db2.gz YTKDMHLPTQTRFR-VKTRGTBVSA-N 0 0 390.439 0.913 20 5 GCBDRN 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