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O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccccc2)c1-c1nn[n-]n1 ZINC000826500143 607572680 /nfs/dbraw/zinc/57/26/80/607572680.db2.gz MOVYIHYUBBPSKH-UHFFFAOYSA-N -1 1 374.382 1.296 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCCCCC2)c1-c1nn[n-]n1 ZINC000826500183 607574544 /nfs/dbraw/zinc/57/45/44/607574544.db2.gz NVPCCXJSRJIGSX-UHFFFAOYSA-N -1 1 366.403 1.776 20 5 FDBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826499326 607589258 /nfs/dbraw/zinc/58/92/58/607589258.db2.gz FAGGLMYANSJWSS-UHFFFAOYSA-N -1 1 365.302 1.682 20 5 FDBDMM C[C@@](CNC(=O)[O-])(NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000824951944 603576934 /nfs/dbraw/zinc/57/69/34/603576934.db2.gz FRQBKAGVEKUURP-INIZCTEOSA-N -1 1 351.359 1.987 20 5 FDBDMM C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCN1C ZINC000833595173 605396326 /nfs/dbraw/zinc/39/63/26/605396326.db2.gz DFLSQWNCKOGBSB-GHMZBOCLSA-N -1 1 371.415 1.396 20 5 FDBDMM O=C([O-])N1CC[C@@H](N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C2CC2)C1 ZINC000831942441 605465203 /nfs/dbraw/zinc/46/52/03/605465203.db2.gz SFHZJSMLHCALFV-LLVKDONJSA-N -1 1 359.342 1.828 20 5 FDBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccc(F)c1[N+](=O)[O-] ZINC000821601756 606443372 /nfs/dbraw/zinc/44/33/72/606443372.db2.gz YHDILVIPWPSZNB-UHFFFAOYSA-N -1 1 361.341 1.288 20 5 FDBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccc(F)c1[N+](=O)[O-] ZINC000821601756 606443373 /nfs/dbraw/zinc/44/33/73/606443373.db2.gz YHDILVIPWPSZNB-UHFFFAOYSA-N -1 1 361.341 1.288 20 5 FDBDMM CC(C)(C)c1nnc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000819971023 606719031 /nfs/dbraw/zinc/71/90/31/606719031.db2.gz AYNVEMVZIFWWAH-UHFFFAOYSA-N -1 1 361.391 1.931 20 5 FDBDMM CC(C)(C)c1nnc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC000819971023 606719032 /nfs/dbraw/zinc/71/90/32/606719032.db2.gz AYNVEMVZIFWWAH-UHFFFAOYSA-N -1 1 361.391 1.931 20 5 FDBDMM CCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000820989663 606732269 /nfs/dbraw/zinc/73/22/69/606732269.db2.gz YMFLBDAIJNYXSB-UHFFFAOYSA-N -1 1 366.403 1.586 20 5 FDBDMM C[C@@H](C1CC1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820218950 606732631 /nfs/dbraw/zinc/73/26/31/606732631.db2.gz BMCVCCWGLNPOCG-QMMMGPOBSA-N -1 1 352.376 1.194 20 5 FDBDMM CC[C@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820870097 606734107 /nfs/dbraw/zinc/73/41/07/606734107.db2.gz MRGRKQPNONRSGC-VIFPVBQESA-N -1 1 354.392 1.442 20 5 FDBDMM O=C1CCCCCN1CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000823526018 607163439 /nfs/dbraw/zinc/16/34/39/607163439.db2.gz XXQZIDUTVRGSTK-UHFFFAOYSA-N -1 1 360.378 1.375 20 5 FDBDMM O=C1CCCCCN1CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000823526018 607163440 /nfs/dbraw/zinc/16/34/40/607163440.db2.gz XXQZIDUTVRGSTK-UHFFFAOYSA-N -1 1 360.378 1.375 20 5 FDBDMM COc1ccc2c(c1)OC[C@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000826213222 608440860 /nfs/dbraw/zinc/44/08/60/608440860.db2.gz OUXMEPUKTSMWOH-SNVBAGLBSA-N -1 1 369.341 1.594 20 5 FDBDMM COc1ccc2c(c1)OC[C@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000826213222 608440862 /nfs/dbraw/zinc/44/08/62/608440862.db2.gz OUXMEPUKTSMWOH-SNVBAGLBSA-N -1 1 369.341 1.594 20 5 FDBDMM CN1Cc2cc(Oc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc2C1=O ZINC000826044686 608553628 /nfs/dbraw/zinc/55/36/28/608553628.db2.gz JDAILCOQLNIYMO-UHFFFAOYSA-N -1 1 353.298 1.548 20 5 FDBDMM CN1Cc2cc(Oc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc2C1=O ZINC000826044686 608553630 /nfs/dbraw/zinc/55/36/30/608553630.db2.gz JDAILCOQLNIYMO-UHFFFAOYSA-N -1 1 353.298 1.548 20 5 FDBDMM C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H]1F ZINC000824961627 609330365 /nfs/dbraw/zinc/33/03/65/609330365.db2.gz DZXXADSLJFPFFH-RKDXNWHRSA-N -1 1 370.366 1.144 20 5 FDBDMM O=C(NCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000047671514 671044394 /nfs/dbraw/zinc/04/43/94/671044394.db2.gz LIUUMCDQGSNWJI-UHFFFAOYSA-N -1 1 367.358 1.442 20 5 FDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000125875562 671752813 /nfs/dbraw/zinc/75/28/13/671752813.db2.gz BJPBXPGSSHHGLZ-BXKDBHETSA-N -1 1 363.823 1.246 20 5 FDBDMM CN(C)c1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000167891469 672037980 /nfs/dbraw/zinc/03/79/80/672037980.db2.gz SCQQDVSWWAWIIM-UHFFFAOYSA-N -1 1 354.363 1.673 20 5 FDBDMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])co1 ZINC000288984740 676080305 /nfs/dbraw/zinc/08/03/05/676080305.db2.gz GUMHMCQNKBSWKO-UHFFFAOYSA-N -1 1 367.383 1.411 20 5 FDBDMM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cnn(C)c1 ZINC000266179485 673073982 /nfs/dbraw/zinc/07/39/82/673073982.db2.gz LAWNVXCAEYZSDM-SECBINFHSA-N -1 1 368.371 1.139 20 5 FDBDMM COC(=O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289125509 676096512 /nfs/dbraw/zinc/09/65/12/676096512.db2.gz KVBZIQXDYMZSKA-UHFFFAOYSA-N -1 1 357.171 1.743 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](CO)[C@H]1CCOC1 ZINC000281129442 675493495 /nfs/dbraw/zinc/49/34/95/675493495.db2.gz YUVJTSKROJBVRP-VHSXEESVSA-N 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O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)[C@H]1CCCOC1 ZINC000416620489 679694737 /nfs/dbraw/zinc/69/47/37/679694737.db2.gz YKMVAEYTGCCSLK-GXSJLCMTSA-N -1 1 364.807 1.314 20 5 FDBDMM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1(c2nn[n-]n2)CC1 ZINC000430312297 681070569 /nfs/dbraw/zinc/07/05/69/681070569.db2.gz BALHIGGDLAUEGV-UHFFFAOYSA-N -1 1 352.738 1.336 20 5 FDBDMM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000474392401 685404463 /nfs/dbraw/zinc/40/44/63/685404463.db2.gz FRNHZCIERXDDCH-ZANVPECISA-N -1 1 364.445 1.501 20 5 FDBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC000432205938 681147653 /nfs/dbraw/zinc/14/76/53/681147653.db2.gz CUCMUIDQIQYYBP-UHFFFAOYSA-N -1 1 362.323 1.970 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)C(F)F)c(C(F)(F)F)c1 ZINC000435646880 681617726 /nfs/dbraw/zinc/61/77/26/681617726.db2.gz ROEDKTYQWORHQB-SSDOTTSWSA-N -1 1 364.248 1.518 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])n1 ZINC000435802759 681636865 /nfs/dbraw/zinc/63/68/65/681636865.db2.gz YTOFDBXOSYGZEQ-NSHDSACASA-N -1 1 352.372 1.093 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCc2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000435803539 681637665 /nfs/dbraw/zinc/63/76/65/681637665.db2.gz HEMITPLJMMYXCT-UHFFFAOYSA-N -1 1 358.807 1.986 20 5 FDBDMM O=C(NCc1ccncc1OCC(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000442977416 682207012 /nfs/dbraw/zinc/20/70/12/682207012.db2.gz ZZYZQJYXNDWYLD-UHFFFAOYSA-N -1 1 354.269 1.664 20 5 FDBDMM COCC[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000445061220 682445185 /nfs/dbraw/zinc/44/51/85/682445185.db2.gz CDDWQPJHJRNCJA-ZDUSSCGKSA-N -1 1 364.807 1.722 20 5 FDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)[C@H]1CCCO1 ZINC000447930917 682580614 /nfs/dbraw/zinc/58/06/14/682580614.db2.gz NLMFPOVTZHJRKK-GXSJLCMTSA-N -1 1 350.780 1.066 20 5 FDBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000461119030 684564193 /nfs/dbraw/zinc/56/41/93/684564193.db2.gz RXMMBDCFLFRASA-UHFFFAOYSA-N -1 1 361.383 1.668 20 5 FDBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000486587323 686915337 /nfs/dbraw/zinc/91/53/37/686915337.db2.gz RPZBUSLPJAFUPO-UHFFFAOYSA-N -1 1 371.400 1.481 20 5 FDBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000486587323 686915339 /nfs/dbraw/zinc/91/53/39/686915339.db2.gz RPZBUSLPJAFUPO-UHFFFAOYSA-N -1 1 371.400 1.481 20 5 FDBDMM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000503229312 688344050 /nfs/dbraw/zinc/34/40/50/688344050.db2.gz BKWJZKJSBLNTFN-SNVBAGLBSA-N -1 1 370.408 1.947 20 5 FDBDMM O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000510080174 689345172 /nfs/dbraw/zinc/34/51/72/689345172.db2.gz XKSTYUDLFCNDJM-UHFFFAOYSA-N -1 1 364.383 1.410 20 5 FDBDMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000516000838 689907825 /nfs/dbraw/zinc/90/78/25/689907825.db2.gz MYCLFKSXCULLBV-UHFFFAOYSA-N -1 1 369.355 1.035 20 5 FDBDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000748119926 772581831 /nfs/dbraw/zinc/58/18/31/772581831.db2.gz XWGXWSKHQVOMSL-UHFFFAOYSA-N -1 1 374.357 1.332 20 5 FDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000276703509 779008896 /nfs/dbraw/zinc/00/88/96/779008896.db2.gz CBYFVJFUFLGDRO-UHFFFAOYSA-N -1 1 362.317 1.913 20 5 FDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000377127280 791094399 /nfs/dbraw/zinc/09/43/99/791094399.db2.gz IRHMDRKJZDCZSB-HIFRSBDPSA-N -1 1 357.366 1.934 20 5 FDBDMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000416160262 793749746 /nfs/dbraw/zinc/74/97/46/793749746.db2.gz XRTGNFVSDIGGIF-UHFFFAOYSA-N -1 1 362.342 1.557 20 5 FDBDMM CCOC(=O)[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000365768245 793921949 /nfs/dbraw/zinc/92/19/49/793921949.db2.gz FXKLCWIJPVXOGY-AWEZNQCLSA-N -1 1 371.349 1.998 20 5 FDBDMM O=C(NCc1n[nH]c(COc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1[O-] 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NC(=O)c1coc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000188248985 536287073 /nfs/dbraw/zinc/28/70/73/536287073.db2.gz CNNAEISEEPPTFL-UHFFFAOYSA-N -1 1 359.747 1.419 20 5 FDBDMM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000188392181 536292025 /nfs/dbraw/zinc/29/20/25/536292025.db2.gz NBQBJIZMJQLDKH-GFCCVEGCSA-N -1 1 356.425 1.847 20 5 FDBDMM C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289944692 537632939 /nfs/dbraw/zinc/63/29/39/537632939.db2.gz SBIHLNRDEACTDH-SVPXGXJHSA-N -1 1 358.800 1.433 20 5 FDBDMM CCOC(=O)COCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000295571511 537713660 /nfs/dbraw/zinc/71/36/60/537713660.db2.gz UWHCVQMBQFSTJX-UHFFFAOYSA-N -1 1 366.779 1.106 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(c2nc[nH]n2)CCC1 ZINC000285677101 537745112 /nfs/dbraw/zinc/74/51/12/537745112.db2.gz QGTIIVOHFNPJBY-UHFFFAOYSA-N -1 1 357.779 1.724 20 5 FDBDMM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000416521506 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Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000594477786 552320721 /nfs/dbraw/zinc/32/07/21/552320721.db2.gz APCYQVIKJIRKCR-MRVPVSSYSA-N -1 1 371.806 1.213 20 5 FDBDMM COc1ccc([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000594706716 552360265 /nfs/dbraw/zinc/36/02/65/552360265.db2.gz VWWGNYKWFKXKIL-YGRLFVJLSA-N -1 1 360.388 1.397 20 5 FDBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ncnn21 ZINC000594799170 552389068 /nfs/dbraw/zinc/38/90/68/552389068.db2.gz PPZOASLOWGPPBJ-IONNQARKSA-N -1 1 357.779 1.824 20 5 FDBDMM O=[N+]([O-])c1c([N-]c2cnn(-c3ccccn3)c2)ncnc1N1CCOCC1 ZINC000598596928 552913171 /nfs/dbraw/zinc/91/31/71/552913171.db2.gz NKRJRBYWLUTZCG-UHFFFAOYSA-N -1 1 368.357 1.546 20 5 FDBDMM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599210211 552986868 /nfs/dbraw/zinc/98/68/68/552986868.db2.gz GCFUPTAKRDVNLC-JTQLQIEISA-N -1 1 354.388 1.767 20 5 FDBDMM Cc1cccc2c1CCC[C@@H]2[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599349273 553034179 /nfs/dbraw/zinc/03/41/79/553034179.db2.gz MJJOGBISBSVFEJ-ZDUSSCGKSA-N -1 1 350.400 1.993 20 5 FDBDMM C[C@@H](CN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)c1nn[n-]n1 ZINC000599761631 553140701 /nfs/dbraw/zinc/14/07/01/553140701.db2.gz JIYJEHDXQGIYLP-VIFPVBQESA-N -1 1 374.336 1.308 20 5 FDBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1NS(C)(=O)=O ZINC000604095552 553841342 /nfs/dbraw/zinc/84/13/42/553841342.db2.gz GTQZYDSBPOZECI-UHFFFAOYSA-N -1 1 354.344 1.555 20 5 FDBDMM COc1ccc(-c2nc([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])n[nH]2)cc1OC ZINC000604546503 553887351 /nfs/dbraw/zinc/88/73/51/553887351.db2.gz APZARZYZMOENKW-UHFFFAOYSA-N -1 1 373.329 1.681 20 5 FDBDMM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000609533186 554388612 /nfs/dbraw/zinc/38/86/12/554388612.db2.gz ZQMHDDGYSYBUKO-GHMZBOCLSA-N -1 1 359.390 1.520 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000610212388 554474524 /nfs/dbraw/zinc/47/45/24/554474524.db2.gz SYCCAALTYUDRCW-NSHDSACASA-N -1 1 374.382 1.610 20 5 FDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nnnn1C1CC1 ZINC000610269164 554485241 /nfs/dbraw/zinc/48/52/41/554485241.db2.gz UGVSQLPLIIIQLA-UHFFFAOYSA-N -1 1 358.767 1.048 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000611105669 554605595 /nfs/dbraw/zinc/60/55/95/554605595.db2.gz ACUSGXMHFBCDOG-GFCCVEGCSA-N -1 1 350.400 1.820 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc3C2)c([N+](=O)[O-])n1 ZINC000611107611 554606295 /nfs/dbraw/zinc/60/62/95/554606295.db2.gz WZQQGUWOLFAIOL-LBPRGKRZSA-N -1 1 364.427 1.895 20 5 FDBDMM C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000611935054 554705407 /nfs/dbraw/zinc/70/54/07/554705407.db2.gz LDXACANBWFRHCU-SFYZADRCSA-N -1 1 367.221 1.795 20 5 FDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000612172601 554745225 /nfs/dbraw/zinc/74/52/25/554745225.db2.gz BDHDCTRUUIFSLN-SECBINFHSA-N -1 1 357.294 1.680 20 5 FDBDMM CC(C)c1ccnc(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000618394054 555631119 /nfs/dbraw/zinc/63/11/19/555631119.db2.gz ODXNIGDANYDFBF-UHFFFAOYSA-N -1 1 372.385 1.571 20 5 FDBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(F)c1 ZINC000738366592 598266113 /nfs/dbraw/zinc/26/61/13/598266113.db2.gz FQBLECRHVNBZAT-UHFFFAOYSA-N -1 1 366.290 1.077 20 5 FDBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(F)c1 ZINC000738366592 598266114 /nfs/dbraw/zinc/26/61/14/598266114.db2.gz FQBLECRHVNBZAT-UHFFFAOYSA-N -1 1 366.290 1.077 20 5 FDBDMM COC(=O)c1cc(Oc2nnc(C)c(C)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000736949128 598756093 /nfs/dbraw/zinc/75/60/93/598756093.db2.gz CMCKYACYERMLKY-UHFFFAOYSA-N -1 1 371.313 1.761 20 5 FDBDMM COC(=O)c1cc(Oc2nnc(C)c(C)c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000736949128 598756094 /nfs/dbraw/zinc/75/60/94/598756094.db2.gz CMCKYACYERMLKY-UHFFFAOYSA-N -1 1 371.313 1.761 20 5 FDBDMM O=C([O-])C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000833201084 600724587 /nfs/dbraw/zinc/72/45/87/600724587.db2.gz FHUWUCWBQYDISN-NSHDSACASA-N -1 1 369.330 1.623 20 5 FDBDMM C[C@H](C(=O)[O-])[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000826061344 601225481 /nfs/dbraw/zinc/22/54/81/601225481.db2.gz LRXUVPBZQSLFRW-GWCFXTLKSA-N -1 1 365.367 1.730 20 5 FDBDMM CN(C(=O)[O-])[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000739585799 601971576 /nfs/dbraw/zinc/97/15/76/601971576.db2.gz PPIBJQKAHUTEMH-ZIAGYGMSSA-N -1 1 353.375 1.409 20 5 FDBDMM CN(C(=O)[O-])[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000739585332 601971809 /nfs/dbraw/zinc/97/18/09/601971809.db2.gz PPIBJQKAHUTEMH-KGLIPLIRSA-N -1 1 353.375 1.409 20 5 FDBDMM CCC[C@@H](CC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825242288 607600681 /nfs/dbraw/zinc/60/06/81/607600681.db2.gz NICFEMLNRNQLFR-SECBINFHSA-N -1 1 354.392 1.632 20 5 FDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000833627296 605169391 /nfs/dbraw/zinc/16/93/91/605169391.db2.gz WPBHRRFAUQQCOP-GFCCVEGCSA-N -1 1 372.381 1.764 20 5 FDBDMM C[C@H]1CCCCN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833615250 605392181 /nfs/dbraw/zinc/39/21/81/605392181.db2.gz LVEJNHKSXKUETH-NSHDSACASA-N -1 1 371.415 1.446 20 5 FDBDMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000833835038 605882353 /nfs/dbraw/zinc/88/23/53/605882353.db2.gz UGSSGZXMDXZRIE-MNOVXSKESA-N -1 1 351.359 1.939 20 5 FDBDMM O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823040459 606295933 /nfs/dbraw/zinc/29/59/33/606295933.db2.gz KTOKZDACOQJQOY-UHFFFAOYSA-N -1 1 374.288 1.637 20 5 FDBDMM Cc1cc(CN2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)no1 ZINC000822200051 606644776 /nfs/dbraw/zinc/64/47/76/606644776.db2.gz SDBMDXQSCQKSGO-UHFFFAOYSA-N -1 1 370.373 1.394 20 5 FDBDMM O=C(CCOc1ccccc1[N+](=O)[O-])OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822974687 606648284 /nfs/dbraw/zinc/64/82/84/606648284.db2.gz YQYNJBHTVYUYES-UHFFFAOYSA-N -1 1 370.325 1.682 20 5 FDBDMM O=C(CCOc1ccccc1[N+](=O)[O-])OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822974687 606648285 /nfs/dbraw/zinc/64/82/85/606648285.db2.gz YQYNJBHTVYUYES-UHFFFAOYSA-N -1 1 370.325 1.682 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccn(-c2ccccc2)n1 ZINC000823625588 606700614 /nfs/dbraw/zinc/70/06/14/606700614.db2.gz YQGMLVTWUWTGDN-UHFFFAOYSA-N -1 1 363.341 1.968 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccn(-c2ccccc2)n1 ZINC000823625588 606700616 /nfs/dbraw/zinc/70/06/16/606700616.db2.gz YQGMLVTWUWTGDN-UHFFFAOYSA-N -1 1 363.341 1.968 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(-n2cncn2)c1 ZINC000823624497 606711858 /nfs/dbraw/zinc/71/18/58/606711858.db2.gz AGXQYBCIVUSXGW-UHFFFAOYSA-N -1 1 364.329 1.363 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(-n2cncn2)c1 ZINC000823624497 606711859 /nfs/dbraw/zinc/71/18/59/606711859.db2.gz AGXQYBCIVUSXGW-UHFFFAOYSA-N -1 1 364.329 1.363 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)c1c(F)cccc1F ZINC000823620922 606712835 /nfs/dbraw/zinc/71/28/35/606712835.db2.gz STPIAROISINWND-SNVBAGLBSA-N -1 1 363.284 1.594 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)c1c(F)cccc1F ZINC000823620922 606712836 /nfs/dbraw/zinc/71/28/36/606712836.db2.gz STPIAROISINWND-SNVBAGLBSA-N -1 1 363.284 1.594 20 5 FDBDMM CN(Cc1ccoc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821615624 606732819 /nfs/dbraw/zinc/73/28/19/606732819.db2.gz GEBYGYXRLJGVSE-UHFFFAOYSA-N -1 1 364.343 1.189 20 5 FDBDMM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822983861 606752038 /nfs/dbraw/zinc/75/20/38/606752038.db2.gz VAOQTBGVSRAPFQ-UHFFFAOYSA-N -1 1 354.326 1.846 20 5 FDBDMM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822983861 606752039 /nfs/dbraw/zinc/75/20/39/606752039.db2.gz VAOQTBGVSRAPFQ-UHFFFAOYSA-N -1 1 354.326 1.846 20 5 FDBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccccc1[N+](=O)[O-] ZINC000820803998 606806761 /nfs/dbraw/zinc/80/67/61/606806761.db2.gz KVTYLHYHOALRNG-NSHDSACASA-N -1 1 367.373 1.280 20 5 FDBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccccc1[N+](=O)[O-] ZINC000820803998 606806762 /nfs/dbraw/zinc/80/67/62/606806762.db2.gz KVTYLHYHOALRNG-NSHDSACASA-N -1 1 367.373 1.280 20 5 FDBDMM CN(Cc1ccc2c(c1)OCO2)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821612239 607162492 /nfs/dbraw/zinc/16/24/92/607162492.db2.gz NZYXESWHNRXJAP-UHFFFAOYSA-N -1 1 355.314 1.535 20 5 FDBDMM CN(Cc1ccc2c(c1)OCO2)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821612239 607162493 /nfs/dbraw/zinc/16/24/93/607162493.db2.gz NZYXESWHNRXJAP-UHFFFAOYSA-N -1 1 355.314 1.535 20 5 FDBDMM CC(C)C(=O)N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820010748 607166602 /nfs/dbraw/zinc/16/66/02/607166602.db2.gz DJRBGRBIUPHJNB-UHFFFAOYSA-N -1 1 360.378 1.229 20 5 FDBDMM CC(C)C(=O)N1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820010748 607166603 /nfs/dbraw/zinc/16/66/03/607166603.db2.gz DJRBGRBIUPHJNB-UHFFFAOYSA-N -1 1 360.378 1.229 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCOC2(CCOCC2)C1 ZINC000823620049 607175948 /nfs/dbraw/zinc/17/59/48/607175948.db2.gz HJTBONSLXMLNNT-JTQLQIEISA-N -1 1 361.362 1.310 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCOC2(CCOCC2)C1 ZINC000823620049 607175949 /nfs/dbraw/zinc/17/59/49/607175949.db2.gz HJTBONSLXMLNNT-JTQLQIEISA-N -1 1 361.362 1.310 20 5 FDBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000825001261 608100329 /nfs/dbraw/zinc/10/03/29/608100329.db2.gz YDQVHACNHUPBOO-MRVPVSSYSA-N -1 1 372.311 1.243 20 5 FDBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000825001261 608100330 /nfs/dbraw/zinc/10/03/30/608100330.db2.gz YDQVHACNHUPBOO-MRVPVSSYSA-N -1 1 372.311 1.243 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2ccc(F)cn2)CC1 ZINC000826497934 608414452 /nfs/dbraw/zinc/41/44/52/608414452.db2.gz ZOQWSPOYLIBCIM-UHFFFAOYSA-N -1 1 371.336 1.031 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2ccc(F)cn2)CC1 ZINC000826497934 608414453 /nfs/dbraw/zinc/41/44/53/608414453.db2.gz ZOQWSPOYLIBCIM-UHFFFAOYSA-N -1 1 371.336 1.031 20 5 FDBDMM Cc1ccc(NCCCNc2ccc(-c3nnn[n-]3)nn2)c([N+](=O)[O-])c1 ZINC000826291340 608421489 /nfs/dbraw/zinc/42/14/89/608421489.db2.gz ATZWYAQATQVJNY-UHFFFAOYSA-N -1 1 355.362 1.787 20 5 FDBDMM Cc1ccc(NCCCNc2ccc(-c3nn[n-]n3)nn2)c([N+](=O)[O-])c1 ZINC000826291340 608421490 /nfs/dbraw/zinc/42/14/90/608421490.db2.gz ATZWYAQATQVJNY-UHFFFAOYSA-N -1 1 355.362 1.787 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1 ZINC000125417091 671748109 /nfs/dbraw/zinc/74/81/09/671748109.db2.gz KVKFACFRLWTPIU-GFCCVEGCSA-N -1 1 354.359 1.788 20 5 FDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCOC1 ZINC000131365691 671803397 /nfs/dbraw/zinc/80/33/97/671803397.db2.gz MIWALQHWRUHACY-MRVPVSSYSA-N -1 1 351.178 1.425 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC1CCCC1 ZINC000267788342 673326808 /nfs/dbraw/zinc/32/68/08/673326808.db2.gz RHOUVGSLKKANAJ-VIFPVBQESA-N -1 1 360.363 1.887 20 5 FDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ncnn1C ZINC000289971823 676185524 /nfs/dbraw/zinc/18/55/24/676185524.db2.gz ULANJLSAWYVYKF-ZCFIWIBFSA-N -1 1 363.758 1.555 20 5 FDBDMM Cc1nnc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000290191525 676189800 /nfs/dbraw/zinc/18/98/00/676189800.db2.gz LYUOTPWFYLQZIN-UHFFFAOYSA-N -1 1 362.820 1.929 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](CO)[C@@H]1CCOC1 ZINC000281129429 675493327 /nfs/dbraw/zinc/49/33/27/675493327.db2.gz YUVJTSKROJBVRP-NXEZZACHSA-N -1 1 364.807 1.172 20 5 FDBDMM C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)CCO1 ZINC000363627576 676966061 /nfs/dbraw/zinc/96/60/61/676966061.db2.gz KOIAOLLUOJVXCV-LLVKDONJSA-N -1 1 350.375 1.021 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)s1 ZINC000363733797 676971165 /nfs/dbraw/zinc/97/11/65/676971165.db2.gz 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CCOc1ccc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000600871942 553323038 /nfs/dbraw/zinc/32/30/38/553323038.db2.gz BTYYHDPCDWVJGG-UHFFFAOYSA-N -1 1 365.386 1.615 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(CC(F)(F)F)C2)s1 ZINC000601427636 553403038 /nfs/dbraw/zinc/40/30/38/553403038.db2.gz FGLQKFIPIQZGKF-QMMMGPOBSA-N -1 1 373.378 1.961 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCN(CC(F)F)CC2)s1 ZINC000603371879 553773908 /nfs/dbraw/zinc/77/39/08/553773908.db2.gz XTBMGTAODIVQHB-UHFFFAOYSA-N -1 1 369.415 1.912 20 5 FDBDMM COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1[N-]S(C)(=O)=O ZINC000603462057 553791612 /nfs/dbraw/zinc/79/16/12/553791612.db2.gz XIQUOCFGDGZNFJ-UHFFFAOYSA-N -1 1 354.344 1.555 20 5 FDBDMM CC(C)(C)C(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000603672798 553809278 /nfs/dbraw/zinc/80/92/78/553809278.db2.gz ZUIJHLUKYWZAAT-UHFFFAOYSA-N -1 1 350.375 1.462 20 5 FDBDMM O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000604286111 553859435 /nfs/dbraw/zinc/85/94/35/553859435.db2.gz LIRHALDVBJQFSQ-MRXNPFEDSA-N -1 1 367.369 1.816 20 5 FDBDMM Cc1cccc(C)c1OC[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604431772 553877274 /nfs/dbraw/zinc/87/72/74/553877274.db2.gz HLIFSXORTOPRPA-ZDUSSCGKSA-N -1 1 361.354 1.482 20 5 FDBDMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])NC1CCCC1 ZINC000604502840 553881911 /nfs/dbraw/zinc/88/19/11/553881911.db2.gz LKITVMGZRNGEEU-UHFFFAOYSA-N -1 1 361.807 1.585 20 5 FDBDMM O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000610673236 554547737 /nfs/dbraw/zinc/54/77/37/554547737.db2.gz VNBGQTOVJALSNA-MRXNPFEDSA-N -1 1 352.354 1.946 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCOCC3)C2)s1 ZINC000610890585 554576376 /nfs/dbraw/zinc/57/63/76/554576376.db2.gz CNDCAFWJAVVIIZ-JTQLQIEISA-N -1 1 362.429 1.663 20 5 FDBDMM COC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000610958085 554587940 /nfs/dbraw/zinc/58/79/40/554587940.db2.gz YSKIDGAZDVFUNL-UHFFFAOYSA-N -1 1 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ZINC000737908205 599139566 /nfs/dbraw/zinc/13/95/66/599139566.db2.gz JJQZXOWUFAQTJD-UHFFFAOYSA-N -1 1 354.282 1.210 20 5 FDBDMM CC(C)(O)CNc1cc(NCC(C)(C)O)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000819991398 599520579 /nfs/dbraw/zinc/52/05/79/599520579.db2.gz GUAUZDLGAOTFHU-UHFFFAOYSA-N -1 1 365.394 1.141 20 5 FDBDMM CC(C)(O)CNc1cc(NCC(C)(C)O)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000819991398 599520580 /nfs/dbraw/zinc/52/05/80/599520580.db2.gz GUAUZDLGAOTFHU-UHFFFAOYSA-N -1 1 365.394 1.141 20 5 FDBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820390552 599554688 /nfs/dbraw/zinc/55/46/88/599554688.db2.gz IISLWHJNRSCCRN-QMMMGPOBSA-N -1 1 355.314 1.367 20 5 FDBDMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000739451982 599776607 /nfs/dbraw/zinc/77/66/07/599776607.db2.gz NFXYRYUNJFWILG-ZDUSSCGKSA-N -1 1 373.369 1.344 20 5 FDBDMM O=C([O-])[C@@H]1CC12CCN([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000739533336 600307126 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358.289 1.974 20 5 FDBDMM Cc1cc(F)cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826267969 607612508 /nfs/dbraw/zinc/61/25/08/607612508.db2.gz FAFLKBREVJHXFX-UHFFFAOYSA-N -1 1 358.289 1.974 20 5 FDBDMM CC1(C)C[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824795738 607614706 /nfs/dbraw/zinc/61/47/06/607614706.db2.gz CEDUSUISTFRWRD-QMMMGPOBSA-N -1 1 352.376 1.099 20 5 FDBDMM CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825061114 607650467 /nfs/dbraw/zinc/65/04/67/607650467.db2.gz WKTHWMQLNVUXSP-VHSXEESVSA-N -1 1 368.419 1.878 20 5 FDBDMM C[C@@H](N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1(C)CC1 ZINC000824463742 607666662 /nfs/dbraw/zinc/66/66/62/607666662.db2.gz CRVHXJTWDAJYPS-SECBINFHSA-N -1 1 366.403 1.584 20 5 FDBDMM O=C([N-]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)C(F)F ZINC000273306975 674526223 /nfs/dbraw/zinc/52/62/23/674526223.db2.gz PEINPVORXTWSLT-UHFFFAOYSA-N -1 1 358.269 1.385 20 5 FDBDMM C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1CCC(=O)[O-] ZINC000833626837 605277258 /nfs/dbraw/zinc/27/72/58/605277258.db2.gz ZYJRBYVCYPYJHT-JTQLQIEISA-N -1 1 361.358 1.092 20 5 FDBDMM C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCN1C ZINC000833595174 605396625 /nfs/dbraw/zinc/39/66/25/605396625.db2.gz DFLSQWNCKOGBSB-MNOVXSKESA-N -1 1 371.415 1.396 20 5 FDBDMM O=[N+]([O-])c1cc(NCCOc2ccc3c(c2)OCO3)ccc1-c1nn[n-]n1 ZINC000823634062 606645069 /nfs/dbraw/zinc/64/50/69/606645069.db2.gz AKPYLSLMOLKWGA-UHFFFAOYSA-N -1 1 370.325 1.995 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CCN(c2ccccn2)CC1 ZINC000823620402 606698719 /nfs/dbraw/zinc/69/87/19/606698719.db2.gz KTUMXZJTDZWYIA-UHFFFAOYSA-N -1 1 367.373 1.646 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CCN(c2ccccn2)CC1 ZINC000823620402 606698721 /nfs/dbraw/zinc/69/87/21/606698721.db2.gz KTUMXZJTDZWYIA-UHFFFAOYSA-N -1 1 367.373 1.646 20 5 FDBDMM Cc1ccc2nc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cn2c1 ZINC000822280872 606702063 /nfs/dbraw/zinc/70/20/63/606702063.db2.gz ZSNLUVBHSSMAQZ-UHFFFAOYSA-N -1 1 351.330 1.738 20 5 FDBDMM Cc1ccc2nc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cn2c1 ZINC000822280872 606702064 /nfs/dbraw/zinc/70/20/64/606702064.db2.gz ZSNLUVBHSSMAQZ-UHFFFAOYSA-N -1 1 351.330 1.738 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CCN(CC(F)(F)F)CC1 ZINC000823621218 606704224 /nfs/dbraw/zinc/70/42/24/606704224.db2.gz ZNEYDCKYKNFIIX-UHFFFAOYSA-N -1 1 372.311 1.609 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CCN(CC(F)(F)F)CC1 ZINC000823621218 606704226 /nfs/dbraw/zinc/70/42/26/606704226.db2.gz ZNEYDCKYKNFIIX-UHFFFAOYSA-N -1 1 372.311 1.609 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@H](c2nccs2)C1 ZINC000823621137 606706131 /nfs/dbraw/zinc/70/61/31/606706131.db2.gz WSGBYANZVVVUGY-VIFPVBQESA-N -1 1 360.359 1.204 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@H](c2nccs2)C1 ZINC000823621137 606706132 /nfs/dbraw/zinc/70/61/32/606706132.db2.gz WSGBYANZVVVUGY-VIFPVBQESA-N -1 1 360.359 1.204 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(-n2cncn2)cc1 ZINC000823629607 606712953 /nfs/dbraw/zinc/71/29/53/606712953.db2.gz BMHYOXHLOUFUSZ-UHFFFAOYSA-N -1 1 351.286 1.543 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(-n2cncn2)cc1 ZINC000823629607 606712954 /nfs/dbraw/zinc/71/29/54/606712954.db2.gz BMHYOXHLOUFUSZ-UHFFFAOYSA-N -1 1 351.286 1.543 20 5 FDBDMM CO[C@@H](C)c1nc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cs1 ZINC000821675114 606718054 /nfs/dbraw/zinc/71/80/54/606718054.db2.gz DIRALQWOPPTXDW-ZETCQYMHSA-N -1 1 362.375 1.946 20 5 FDBDMM CO[C@@H](C)c1nc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cs1 ZINC000821675114 606718056 /nfs/dbraw/zinc/71/80/56/606718056.db2.gz DIRALQWOPPTXDW-ZETCQYMHSA-N -1 1 362.375 1.946 20 5 FDBDMM Cc1ccc([N+](=O)[O-])c(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000822271446 606721724 /nfs/dbraw/zinc/72/17/24/606721724.db2.gz ZWWNRPVRNQUTIT-UHFFFAOYSA-N -1 1 357.378 1.458 20 5 FDBDMM Cc1ccc([N+](=O)[O-])c(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 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C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736296872 598990561 /nfs/dbraw/zinc/99/05/61/598990561.db2.gz KFETZTIAZWLKSM-VIFPVBQESA-N -1 1 351.326 1.761 20 5 FDBDMM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736296872 598990562 /nfs/dbraw/zinc/99/05/62/598990562.db2.gz KFETZTIAZWLKSM-VIFPVBQESA-N -1 1 351.326 1.761 20 5 FDBDMM COC(=O)[C@]1([N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000272425896 674442366 /nfs/dbraw/zinc/44/23/66/674442366.db2.gz FRWGQSNKGPSMIU-AWEZNQCLSA-N -1 1 374.440 1.105 20 5 FDBDMM COCCN1CCC[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000737808938 599954502 /nfs/dbraw/zinc/95/45/02/599954502.db2.gz GDCGTSFZXKJEGV-ZDUSSCGKSA-N -1 1 351.359 1.134 20 5 FDBDMM O=C([O-])[C@H]1CC12CCN([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000739533338 600307018 /nfs/dbraw/zinc/30/70/18/600307018.db2.gz XLGIXEVAQPEFET-HUUCEWRRSA-N -1 1 359.382 1.887 20 5 FDBDMM C[C@H]1CN=C(N2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)S1 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/nfs/dbraw/zinc/33/79/50/601337950.db2.gz MIYOXRRBBAXBNX-LLVKDONJSA-N -1 1 352.416 1.772 20 5 FDBDMM O=C([O-])N1CCCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000740520445 602868408 /nfs/dbraw/zinc/86/84/08/602868408.db2.gz RMDBMZYRPXSBEZ-SECBINFHSA-N -1 1 361.351 1.545 20 5 FDBDMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(N)c([N+](=O)[O-])c1 ZINC000826261338 607606728 /nfs/dbraw/zinc/60/67/28/607606728.db2.gz ASNYBVXBTZLDLH-UHFFFAOYSA-N -1 1 355.314 1.418 20 5 FDBDMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(N)c([N+](=O)[O-])c1 ZINC000826261338 607606730 /nfs/dbraw/zinc/60/67/30/607606730.db2.gz ASNYBVXBTZLDLH-UHFFFAOYSA-N -1 1 355.314 1.418 20 5 FDBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C(=O)[O-])[C@H](C)C1 ZINC000740153291 603359555 /nfs/dbraw/zinc/35/95/55/603359555.db2.gz QCVURTDQWQWCKB-GFCCVEGCSA-N -1 1 350.375 1.916 20 5 FDBDMM CC[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825192837 607669043 /nfs/dbraw/zinc/66/90/43/607669043.db2.gz JKJSMSNAWVPBIV-VHSXEESVSA-N -1 1 366.403 1.632 20 5 FDBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000832097783 604743774 /nfs/dbraw/zinc/74/37/74/604743774.db2.gz LZQWQINCKDDTSP-JTQLQIEISA-N -1 1 351.359 1.727 20 5 FDBDMM O=C([O-])N(CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Cc1cccnc1 ZINC000831671721 605875128 /nfs/dbraw/zinc/87/51/28/605875128.db2.gz GIEJJGBDPGGFGS-UHFFFAOYSA-N -1 1 374.353 1.996 20 5 FDBDMM CNc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1[N+](=O)[O-] ZINC000821637589 606291600 /nfs/dbraw/zinc/29/16/00/606291600.db2.gz METDHJQFXBUOTB-UHFFFAOYSA-N -1 1 355.314 1.775 20 5 FDBDMM COc1ccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821782944 606644852 /nfs/dbraw/zinc/64/48/52/606644852.db2.gz UAFJVWNHNZJBOU-HNNXBMFYSA-N -1 1 356.342 1.929 20 5 FDBDMM O=[N+]([O-])c1cc(N2CCCN(c3nccs3)CC2)ccc1-c1nn[n-]n1 ZINC000823635506 606645978 /nfs/dbraw/zinc/64/59/78/606645978.db2.gz YTKQPKMHCFUSRY-UHFFFAOYSA-N -1 1 372.414 1.948 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](CNc2ccccn2)C1 ZINC000823619744 606705173 /nfs/dbraw/zinc/70/51/73/606705173.db2.gz AMBGCIXXZVGKEW-LLVKDONJSA-N -1 1 367.373 1.503 20 5 FDBDMM COc1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F ZINC000821795028 606706696 /nfs/dbraw/zinc/70/66/96/606706696.db2.gz RVDLHGKUDRUVSS-UHFFFAOYSA-N -1 1 359.321 1.972 20 5 FDBDMM COc1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC000821795028 606706699 /nfs/dbraw/zinc/70/66/99/606706699.db2.gz RVDLHGKUDRUVSS-UHFFFAOYSA-N -1 1 359.321 1.972 20 5 FDBDMM COC(=O)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000821640128 606713308 /nfs/dbraw/zinc/71/33/08/606713308.db2.gz BCQHNJAROSKXIB-GFCCVEGCSA-N -1 1 369.341 1.539 20 5 FDBDMM COC(=O)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000821640128 606713309 /nfs/dbraw/zinc/71/33/09/606713309.db2.gz BCQHNJAROSKXIB-GFCCVEGCSA-N -1 1 369.341 1.539 20 5 FDBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000820776957 606714751 /nfs/dbraw/zinc/71/47/51/606714751.db2.gz OBWJIEDUAIYDIL-XPUUQOCRSA-N -1 1 359.268 1.326 20 5 FDBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000820776957 606714752 /nfs/dbraw/zinc/71/47/52/606714752.db2.gz OBWJIEDUAIYDIL-XPUUQOCRSA-N -1 1 359.268 1.326 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1ccc(Cl)cc1 ZINC000823620473 607166903 /nfs/dbraw/zinc/16/69/03/607166903.db2.gz LISIZQZOGKYKMM-NSHDSACASA-N -1 1 361.749 1.969 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1ccc(Cl)cc1 ZINC000823620473 607166905 /nfs/dbraw/zinc/16/69/05/607166905.db2.gz LISIZQZOGKYKMM-NSHDSACASA-N -1 1 361.749 1.969 20 5 FDBDMM O=[N+]([O-])c1cnn(CCNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000823650920 607175791 /nfs/dbraw/zinc/17/57/91/607175791.db2.gz DHRNWZXQLVECOV-UHFFFAOYSA-N -1 1 352.318 1.027 20 5 FDBDMM O=[N+]([O-])c1cnn(CCNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000823650920 607175792 /nfs/dbraw/zinc/17/57/92/607175792.db2.gz DHRNWZXQLVECOV-UHFFFAOYSA-N -1 1 352.318 1.027 20 5 FDBDMM CC(C)c1nc2n(n1)C[C@H](Nc1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)CC2 ZINC000824364504 607840929 /nfs/dbraw/zinc/84/09/29/607840929.db2.gz JCRJPOHPKQXUGL-LLVKDONJSA-N -1 1 369.389 1.917 20 5 FDBDMM Cc1cnn(C[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826320198 607841936 /nfs/dbraw/zinc/84/19/36/607841936.db2.gz JJFOLJJREPCDHD-ZDUSSCGKSA-N -1 1 370.373 1.185 20 5 FDBDMM Cc1cnn(C[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826320198 607841937 /nfs/dbraw/zinc/84/19/37/607841937.db2.gz JJFOLJJREPCDHD-ZDUSSCGKSA-N -1 1 370.373 1.185 20 5 FDBDMM Cc1cnn(C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826320197 607842050 /nfs/dbraw/zinc/84/20/50/607842050.db2.gz JJFOLJJREPCDHD-CYBMUJFWSA-N -1 1 370.373 1.185 20 5 FDBDMM Cc1cnn(C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826320197 607842051 /nfs/dbraw/zinc/84/20/51/607842051.db2.gz JJFOLJJREPCDHD-CYBMUJFWSA-N -1 1 370.373 1.185 20 5 FDBDMM COc1cc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1O ZINC000826179508 608234768 /nfs/dbraw/zinc/23/47/68/608234768.db2.gz QYUGWCXOMSSXIN-UHFFFAOYSA-N -1 1 357.330 1.521 20 5 FDBDMM COc1cc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1O ZINC000826179508 608234769 /nfs/dbraw/zinc/23/47/69/608234769.db2.gz QYUGWCXOMSSXIN-UHFFFAOYSA-N -1 1 357.330 1.521 20 5 FDBDMM CC(C)(C)OC(=O)NCCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278126708 675096758 /nfs/dbraw/zinc/09/67/58/675096758.db2.gz UAEMQMLNNMINSR-UHFFFAOYSA-N -1 1 354.363 1.730 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000125875348 671752838 /nfs/dbraw/zinc/75/28/38/671752838.db2.gz BJPBXPGSSHHGLZ-JOYOIKCWSA-N -1 1 363.823 1.246 20 5 FDBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCOCC1 ZINC000194333768 672383233 /nfs/dbraw/zinc/38/32/33/672383233.db2.gz CMABRMCVGDAEKB-UHFFFAOYSA-N -1 1 361.395 1.123 20 5 FDBDMM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CN1c1ccccc1 ZINC000195150950 672398878 /nfs/dbraw/zinc/39/88/78/672398878.db2.gz APLSTIAOKDEVKX-SNVBAGLBSA-N -1 1 367.408 1.740 20 5 FDBDMM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289249254 676110503 /nfs/dbraw/zinc/11/05/03/676110503.db2.gz AUZKIAHUEBDYON-ZCFIWIBFSA-N -1 1 370.214 1.705 20 5 FDBDMM C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289792121 676178929 /nfs/dbraw/zinc/17/89/29/676178929.db2.gz IUEFYJAPQVHAGO-MADCSZMMSA-N -1 1 368.770 1.206 20 5 FDBDMM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000365771582 677380781 /nfs/dbraw/zinc/38/07/81/677380781.db2.gz YLWOZVQUUADEGK-MRVPVSSYSA-N -1 1 368.756 1.849 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1COc2ccccc2[C@H]1O ZINC000377297774 678511215 /nfs/dbraw/zinc/51/12/15/678511215.db2.gz RXGRQFGQYAITAO-XHDPSFHLSA-N -1 1 368.342 1.507 20 5 FDBDMM O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([O-])cc1F ZINC000436977971 681750043 /nfs/dbraw/zinc/75/00/43/681750043.db2.gz 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CCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1nn[n-]n1 ZINC000467645635 684870890 /nfs/dbraw/zinc/87/08/90/684870890.db2.gz ZYTXUYMBFYYBNB-JTQLQIEISA-N -1 1 350.335 1.153 20 5 FDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nc(CO)cs1 ZINC000470258658 685018191 /nfs/dbraw/zinc/01/81/91/685018191.db2.gz JOPTULLNHQIIRM-UHFFFAOYSA-N -1 1 363.804 1.676 20 5 FDBDMM COC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(F)(F)F ZINC000479151633 686000257 /nfs/dbraw/zinc/00/02/57/686000257.db2.gz OXCVJZXLSASKBA-NSHDSACASA-N -1 1 372.321 1.849 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000479333068 686012778 /nfs/dbraw/zinc/01/27/78/686012778.db2.gz HJXXHPYTFISSSX-CMPLNLGQSA-N -1 1 360.436 1.683 20 5 FDBDMM C[C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(N)=O ZINC000490068094 687129996 /nfs/dbraw/zinc/12/99/96/687129996.db2.gz BDTVLLASUZQBSJ-TVQRCGJNSA-N -1 1 369.424 1.592 20 5 FDBDMM NC(=O)COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 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O=[N+]([O-])c1ncccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826500887 607576235 /nfs/dbraw/zinc/57/62/35/607576235.db2.gz QLFZKWAMPKAISK-UHFFFAOYSA-N -1 1 366.290 1.077 20 5 FDBDMM CSCC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826228505 607620190 /nfs/dbraw/zinc/62/01/90/607620190.db2.gz RBUJDQNDTFQDIK-MRVPVSSYSA-N -1 1 372.432 1.195 20 5 FDBDMM CN(CC(C)(C)CNC(=O)[O-])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000828154416 603629554 /nfs/dbraw/zinc/62/95/54/603629554.db2.gz LKDFBXQDASLFEN-CQSZACIVSA-N -1 1 364.402 1.926 20 5 FDBDMM CC[C@H](O)CN1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829004689 604267370 /nfs/dbraw/zinc/26/73/70/604267370.db2.gz OUWCKYMVOSUVHO-JTQLQIEISA-N -1 1 357.794 1.839 20 5 FDBDMM CCN1C[C@H](C)N(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000833655199 605119774 /nfs/dbraw/zinc/11/97/74/605119774.db2.gz BCNCGOULSICXGL-RYUDHWBXSA-N -1 1 364.402 1.328 20 5 FDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000833627243 605206606 /nfs/dbraw/zinc/20/66/06/605206606.db2.gz VKESGHGDGUEEDB-SNVBAGLBSA-N -1 1 355.778 1.869 20 5 FDBDMM O=C([O-])NCCCOC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000834238481 605672522 /nfs/dbraw/zinc/67/25/22/605672522.db2.gz NNCSUAQZDRKMOO-UHFFFAOYSA-N -1 1 353.375 1.939 20 5 FDBDMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1cccc([N+](=O)[O-])c1 ZINC000823027292 606136047 /nfs/dbraw/zinc/13/60/47/606136047.db2.gz QGJMHMPAOIHXJG-UHFFFAOYSA-N -1 1 374.338 1.632 20 5 FDBDMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1cccc([N+](=O)[O-])c1 ZINC000823027292 606136048 /nfs/dbraw/zinc/13/60/48/606136048.db2.gz QGJMHMPAOIHXJG-UHFFFAOYSA-N -1 1 374.338 1.632 20 5 FDBDMM O=C(COc1ccccc1[N+](=O)[O-])OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823054992 606654015 /nfs/dbraw/zinc/65/40/15/606654015.db2.gz IPGHHTUMRDMHLD-UHFFFAOYSA-N -1 1 356.298 1.292 20 5 FDBDMM O=C(COc1ccccc1[N+](=O)[O-])OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823054992 606654016 /nfs/dbraw/zinc/65/40/16/606654016.db2.gz IPGHHTUMRDMHLD-UHFFFAOYSA-N -1 1 356.298 1.292 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000823619734 606700112 /nfs/dbraw/zinc/70/01/12/606700112.db2.gz AAISVRBAAPFPAI-MRVPVSSYSA-N -1 1 373.295 1.718 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000823619734 606700113 /nfs/dbraw/zinc/70/01/13/606700113.db2.gz AAISVRBAAPFPAI-MRVPVSSYSA-N -1 1 373.295 1.718 20 5 FDBDMM Cc1cc([C@](C)(O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)o1 ZINC000822190992 606712557 /nfs/dbraw/zinc/71/25/57/606712557.db2.gz DHQZSZOZEMDPFX-OAHLLOKOSA-N -1 1 359.346 1.699 20 5 FDBDMM Cc1cc([C@](C)(O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)o1 ZINC000822190992 606712558 /nfs/dbraw/zinc/71/25/58/606712558.db2.gz DHQZSZOZEMDPFX-OAHLLOKOSA-N -1 1 359.346 1.699 20 5 FDBDMM C[C@@]1(c2ccccc2)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000820635254 606719050 /nfs/dbraw/zinc/71/90/50/606719050.db2.gz LGDFXQHYPQYXGM-KRWDZBQOSA-N -1 1 367.369 1.922 20 5 FDBDMM C[C@@]1(c2ccccc2)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000820635254 606719051 /nfs/dbraw/zinc/71/90/51/606719051.db2.gz LGDFXQHYPQYXGM-KRWDZBQOSA-N -1 1 367.369 1.922 20 5 FDBDMM CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820972505 606735868 /nfs/dbraw/zinc/73/58/68/606735868.db2.gz OINNQCDUHSSVFF-ZJUUUORDSA-N -1 1 366.403 1.584 20 5 FDBDMM O=C(C1CCCC1)N1CC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822916907 606792057 /nfs/dbraw/zinc/79/20/57/606792057.db2.gz IENZFGMTKCJNEX-NSHDSACASA-N -1 1 372.389 1.373 20 5 FDBDMM O=C(C1CCCC1)N1CC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822916907 606792058 /nfs/dbraw/zinc/79/20/58/606792058.db2.gz IENZFGMTKCJNEX-NSHDSACASA-N -1 1 372.389 1.373 20 5 FDBDMM NC(=O)Nc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822880621 607166101 /nfs/dbraw/zinc/16/61/01/607166101.db2.gz VNXZHACKCIJTIA-UHFFFAOYSA-N -1 1 355.318 1.273 20 5 FDBDMM NC(=O)Nc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822880621 607166103 /nfs/dbraw/zinc/16/61/03/607166103.db2.gz VNXZHACKCIJTIA-UHFFFAOYSA-N -1 1 355.318 1.273 20 5 FDBDMM COC(=O)c1ccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821668611 607167412 /nfs/dbraw/zinc/16/74/12/607167412.db2.gz ANOHSSPQKRQZFE-UHFFFAOYSA-N -1 1 369.341 1.593 20 5 FDBDMM COC(=O)c1ccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821668611 607167414 /nfs/dbraw/zinc/16/74/14/607167414.db2.gz ANOHSSPQKRQZFE-UHFFFAOYSA-N -1 1 369.341 1.593 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000823619821 607168079 /nfs/dbraw/zinc/16/80/79/607168079.db2.gz BOVDPMNMVPGKDZ-ZDUSSCGKSA-N -1 1 371.332 1.887 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000823619821 607168081 /nfs/dbraw/zinc/16/80/81/607168081.db2.gz BOVDPMNMVPGKDZ-ZDUSSCGKSA-N -1 1 371.332 1.887 20 5 FDBDMM O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826502087 607863351 /nfs/dbraw/zinc/86/33/51/607863351.db2.gz UHFIUKAJMBUAFO-UHFFFAOYSA-N -1 1 366.297 1.035 20 5 FDBDMM O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826502087 607863352 /nfs/dbraw/zinc/86/33/52/607863352.db2.gz UHFIUKAJMBUAFO-UHFFFAOYSA-N -1 1 366.297 1.035 20 5 FDBDMM CC[C@H](CSC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825128419 608425075 /nfs/dbraw/zinc/42/50/75/608425075.db2.gz UAEMHMDVGJMBFJ-MRVPVSSYSA-N -1 1 372.432 1.195 20 5 FDBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278662064 675175612 /nfs/dbraw/zinc/17/56/12/675175612.db2.gz HFCBUWWCNVMFEM-PWSUYJOCSA-N -1 1 364.807 1.721 20 5 FDBDMM CC(C)(CO)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000122069465 671713195 /nfs/dbraw/zinc/71/31/95/671713195.db2.gz NLIBLSPDAVJBDY-UHFFFAOYSA-N -1 1 367.221 1.654 20 5 FDBDMM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173478220 672081564 /nfs/dbraw/zinc/08/15/64/672081564.db2.gz AAVHSOLAKRWIHX-SECBINFHSA-N -1 1 370.406 1.994 20 5 FDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)cc1Cl ZINC000290332175 676198517 /nfs/dbraw/zinc/19/85/17/676198517.db2.gz ARWMMRNWZDPFEZ-HQJQHLMTSA-N -1 1 352.771 1.827 20 5 FDBDMM CC(C)(C)OC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000284998959 675779566 /nfs/dbraw/zinc/77/95/66/675779566.db2.gz GUNXJJFDGQFXMZ-VIFPVBQESA-N -1 1 364.351 1.281 20 5 FDBDMM O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000364388604 677012306 /nfs/dbraw/zinc/01/23/06/677012306.db2.gz KZJMPUWVAXNCER-VIFPVBQESA-N -1 1 363.355 1.395 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CN2CCCC[C@H]2CO1 ZINC000367070033 677483969 /nfs/dbraw/zinc/48/39/69/677483969.db2.gz BSVJNURSYPTNDC-RYUDHWBXSA-N -1 1 373.406 1.266 20 5 FDBDMM Cn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000431746719 681133783 /nfs/dbraw/zinc/13/37/83/681133783.db2.gz WNFNJXFTIFHUND-CABZTGNLSA-N -1 1 372.428 1.588 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CC2)c([N+](=O)[O-])n1 ZINC000435804508 681637647 /nfs/dbraw/zinc/63/76/47/681637647.db2.gz ROVHNKUEBROECT-UHFFFAOYSA-N -1 1 368.390 1.960 20 5 FDBDMM CSC[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443246770 682260284 /nfs/dbraw/zinc/26/02/84/682260284.db2.gz JBFYBDPIYWBRSD-MRVPVSSYSA-N -1 1 354.837 1.641 20 5 FDBDMM COC[C@](C)(O)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451658755 682915408 /nfs/dbraw/zinc/91/54/08/682915408.db2.gz NLWRUYJEVZHHAW-GFCCVEGCSA-N -1 1 352.796 1.314 20 5 FDBDMM Cc1ccc(C)c(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)c1[N+](=O)[O-] ZINC000461108557 684563164 /nfs/dbraw/zinc/56/31/64/684563164.db2.gz BBLWQXCVLPACIT-UHFFFAOYSA-N -1 1 361.383 1.668 20 5 FDBDMM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000470708818 685059944 /nfs/dbraw/zinc/05/99/44/685059944.db2.gz WZSBKYQWBDDDOE-UHFFFAOYSA-N -1 1 357.319 1.830 20 5 FDBDMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000477059981 685812198 /nfs/dbraw/zinc/81/21/98/685812198.db2.gz VOPRBULAILUUHP-UHFFFAOYSA-N -1 1 353.136 1.290 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])n1 ZINC000478779178 685921996 /nfs/dbraw/zinc/92/19/96/685921996.db2.gz AATPCLLWPGBMOZ-VXGBXAGGSA-N -1 1 360.436 1.683 20 5 FDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCF ZINC000499761963 687986914 /nfs/dbraw/zinc/98/69/14/687986914.db2.gz YUTNVEDMYUGSLY-SSDOTTSWSA-N -1 1 353.759 1.001 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)c([N+](=O)[O-])n1 ZINC000502430174 688267791 /nfs/dbraw/zinc/26/77/91/688267791.db2.gz GKCSSOJXAWXOHT-UHFFFAOYSA-N -1 1 350.307 1.581 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nc(CO)cs1 ZINC000509765288 689309075 /nfs/dbraw/zinc/30/90/75/689309075.db2.gz FLMBBDUSLSRSDY-UHFFFAOYSA-N -1 1 363.804 1.676 20 5 FDBDMM CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000513812093 689702191 /nfs/dbraw/zinc/70/21/91/689702191.db2.gz DPQKDTUWDANPTB-UHFFFAOYSA-N -1 1 352.324 1.824 20 5 FDBDMM 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FCGXLDGXCURDDV-UONOGXRCSA-N -1 1 372.381 1.735 20 5 FDBDMM COc1ccc([C@H](CCO)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594762311 552374897 /nfs/dbraw/zinc/37/48/97/552374897.db2.gz OTDGYXCDUUXKFA-ZDUSSCGKSA-N -1 1 367.383 1.400 20 5 FDBDMM CC(C)(C)CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000595886022 552628658 /nfs/dbraw/zinc/62/86/58/552628658.db2.gz LUFZRKFUCXXWGW-UHFFFAOYSA-N -1 1 358.416 1.801 20 5 FDBDMM O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000597622876 552813391 /nfs/dbraw/zinc/81/33/91/552813391.db2.gz PWFRCVBBFUCKEM-UHFFFAOYSA-N -1 1 362.342 1.859 20 5 FDBDMM O=C(N[C@H](c1ccncc1)C1(CO)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598550329 552908896 /nfs/dbraw/zinc/90/88/96/552908896.db2.gz GUYYOASUPMDITR-CQSZACIVSA-N -1 1 358.354 1.724 20 5 FDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2nnc(N3CCCC3)cc2C1 ZINC000598777079 552933234 /nfs/dbraw/zinc/93/32/34/552933234.db2.gz OYECNHRXRGIJIA-UHFFFAOYSA-N -1 1 370.369 1.284 20 5 FDBDMM CSCc1cc(F)ccc1C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599258519 553005836 /nfs/dbraw/zinc/00/58/36/553005836.db2.gz HNUHJNGESGWHMC-UHFFFAOYSA-N -1 1 374.419 1.809 20 5 FDBDMM COc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000604286108 553859612 /nfs/dbraw/zinc/85/96/12/553859612.db2.gz LFUHWROXVWFDKA-AWEZNQCLSA-N -1 1 354.326 1.636 20 5 FDBDMM O=C1CCCCCN1CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610212472 554474225 /nfs/dbraw/zinc/47/42/25/554474225.db2.gz ZHGMGUJOFAYRDT-UHFFFAOYSA-N -1 1 356.404 1.061 20 5 FDBDMM COc1cccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1OC ZINC000610261276 554483322 /nfs/dbraw/zinc/48/33/22/554483322.db2.gz DCVCDDPATWMQIH-UHFFFAOYSA-N -1 1 367.383 1.528 20 5 FDBDMM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610267641 554485280 /nfs/dbraw/zinc/48/52/80/554485280.db2.gz WJMWNMKPIMGQFT-LLVKDONJSA-N -1 1 367.383 1.744 20 5 FDBDMM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000610269737 554485706 /nfs/dbraw/zinc/48/57/06/554485706.db2.gz PIIVZYXAGOBSTD-SNVBAGLBSA-N -1 1 355.347 1.875 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])n1 ZINC000611106381 554605582 /nfs/dbraw/zinc/60/55/82/554605582.db2.gz LBRXKVVXXQRSQC-AAEUAGOBSA-N -1 1 360.436 1.541 20 5 FDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1(CO)CC1 ZINC000611407918 554631479 /nfs/dbraw/zinc/63/14/79/554631479.db2.gz NQAAFSMSTFRLGA-UHFFFAOYSA-N -1 1 351.178 1.161 20 5 FDBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(-n2cncn2)cn1 ZINC000616346318 555294169 /nfs/dbraw/zinc/29/41/69/555294169.db2.gz WWSBNFREIATITQ-UHFFFAOYSA-N -1 1 360.355 1.512 20 5 FDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000618344331 555619930 /nfs/dbraw/zinc/61/99/30/555619930.db2.gz RISZRCHMLZXJED-UHFFFAOYSA-N -1 1 363.374 1.059 20 5 FDBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000619467701 555782221 /nfs/dbraw/zinc/78/22/21/555782221.db2.gz XIBOERCADPITML-UHFFFAOYSA-N -1 1 369.330 1.642 20 5 FDBDMM Cc1cc(OCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000619563915 555799849 /nfs/dbraw/zinc/79/98/49/555799849.db2.gz BZGGEOVTCSTYMF-INIZCTEOSA-N -1 1 368.353 1.701 20 5 FDBDMM C[C@H](Oc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)C(N)=O ZINC000820533225 599034441 /nfs/dbraw/zinc/03/44/41/599034441.db2.gz BZSLEKZHDMULNA-QMMMGPOBSA-N -1 1 371.313 1.215 20 5 FDBDMM C[C@H](Oc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1)C(N)=O ZINC000820533225 599034444 /nfs/dbraw/zinc/03/44/44/599034444.db2.gz BZSLEKZHDMULNA-QMMMGPOBSA-N -1 1 371.313 1.215 20 5 FDBDMM C[C@@H](Oc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)C(N)=O ZINC000820533224 599034459 /nfs/dbraw/zinc/03/44/59/599034459.db2.gz BZSLEKZHDMULNA-MRVPVSSYSA-N -1 1 371.313 1.215 20 5 FDBDMM C[C@@H](Oc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1)C(N)=O ZINC000820533224 599034462 /nfs/dbraw/zinc/03/44/62/599034462.db2.gz BZSLEKZHDMULNA-MRVPVSSYSA-N -1 1 371.313 1.215 20 5 FDBDMM COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737115190 599139105 /nfs/dbraw/zinc/13/91/05/599139105.db2.gz MMMVAIHVEMMLEY-UHFFFAOYSA-N -1 1 356.298 1.536 20 5 FDBDMM COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737115190 599139108 /nfs/dbraw/zinc/13/91/08/599139108.db2.gz MMMVAIHVEMMLEY-UHFFFAOYSA-N -1 1 356.298 1.536 20 5 FDBDMM CCc1nn(Cc2cccc([N+](=O)[O-])c2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706471 598379770 /nfs/dbraw/zinc/37/97/70/598379770.db2.gz LURHXMSUJVAIAY-UHFFFAOYSA-N -1 1 369.385 1.813 20 5 FDBDMM O=C1OC(c2cccc([N+](=O)[O-])c2)=NC1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823548094 599309986 /nfs/dbraw/zinc/30/99/86/599309986.db2.gz SOCLERHHJLDYDC-XFFZJAGNSA-N -1 1 352.266 1.712 20 5 FDBDMM O=C1OC(c2cccc([N+](=O)[O-])c2)=NC1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823548094 599309988 /nfs/dbraw/zinc/30/99/88/599309988.db2.gz SOCLERHHJLDYDC-XFFZJAGNSA-N -1 1 352.266 1.712 20 5 FDBDMM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000737176398 600162072 /nfs/dbraw/zinc/16/20/72/600162072.db2.gz LHZKJJXCLJTCPP-UHFFFAOYSA-N -1 1 366.330 1.596 20 5 FDBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000827385646 601338084 /nfs/dbraw/zinc/33/80/84/601338084.db2.gz MIYOXRRBBAXBNX-NSHDSACASA-N -1 1 352.416 1.772 20 5 FDBDMM CN(C(=O)[O-])[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000739585330 601971609 /nfs/dbraw/zinc/97/16/09/601971609.db2.gz PPIBJQKAHUTEMH-KBPBESRZSA-N -1 1 353.375 1.409 20 5 FDBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826499637 607572637 /nfs/dbraw/zinc/57/26/37/607572637.db2.gz QJZRCSYHTGRWBQ-UHFFFAOYSA-N -1 1 365.302 1.682 20 5 FDBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826499637 607572638 /nfs/dbraw/zinc/57/26/38/607572638.db2.gz QJZRCSYHTGRWBQ-UHFFFAOYSA-N -1 1 365.302 1.682 20 5 FDBDMM CCC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000825170741 607663594 /nfs/dbraw/zinc/66/35/94/607663594.db2.gz GVPTYMIYARGTRV-UHFFFAOYSA-N -1 1 352.376 1.243 20 5 FDBDMM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826498372 607677612 /nfs/dbraw/zinc/67/76/12/607677612.db2.gz RYXHTLPUBZSOKZ-UHFFFAOYSA-N -1 1 365.302 1.682 20 5 FDBDMM O=C([O-])C1(NCc2ccc(Cl)cc2[N+](=O)[O-])CCS(=O)(=O)CC1 ZINC000833175513 604438997 /nfs/dbraw/zinc/43/89/97/604438997.db2.gz DLMRVISJTFMYDK-UHFFFAOYSA-N -1 1 362.791 1.370 20 5 FDBDMM C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCN1C ZINC000833595176 605397319 /nfs/dbraw/zinc/39/73/19/605397319.db2.gz DFLSQWNCKOGBSB-WDEREUQCSA-N -1 1 371.415 1.396 20 5 FDBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000820556587 606532335 /nfs/dbraw/zinc/53/23/35/606532335.db2.gz UMZFBJGCMVHNOA-ZETCQYMHSA-N -1 1 360.359 1.617 20 5 FDBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000820556587 606532336 /nfs/dbraw/zinc/53/23/36/606532336.db2.gz UMZFBJGCMVHNOA-ZETCQYMHSA-N -1 1 360.359 1.617 20 5 FDBDMM O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823040387 606650533 /nfs/dbraw/zinc/65/05/33/606650533.db2.gz JLOAUCXWZQURTC-UHFFFAOYSA-N -1 1 374.288 1.431 20 5 FDBDMM O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823040387 606650534 /nfs/dbraw/zinc/65/05/34/606650534.db2.gz JLOAUCXWZQURTC-UHFFFAOYSA-N -1 1 374.288 1.431 20 5 FDBDMM COc1ccccc1[C@H](O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821882542 606698089 /nfs/dbraw/zinc/69/80/89/606698089.db2.gz DIWCNAAXGTYRHC-LLVKDONJSA-N -1 1 357.330 1.324 20 5 FDBDMM COc1ccccc1[C@H](O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821882542 606698091 /nfs/dbraw/zinc/69/80/91/606698091.db2.gz DIWCNAAXGTYRHC-LLVKDONJSA-N -1 1 357.330 1.324 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)c1cccc(Cl)c1 ZINC000823620028 606698400 /nfs/dbraw/zinc/69/84/00/606698400.db2.gz GYQILOJGOIPYBP-LLVKDONJSA-N -1 1 361.749 1.969 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)c1cccc(Cl)c1 ZINC000823620028 606698399 /nfs/dbraw/zinc/69/83/99/606698399.db2.gz GYQILOJGOIPYBP-LLVKDONJSA-N -1 1 361.749 1.969 20 5 FDBDMM O=C1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CN1c1ccccc1 ZINC000823520906 606704292 /nfs/dbraw/zinc/70/42/92/606704292.db2.gz PEMPRIFTZMASJQ-SNVBAGLBSA-N -1 1 366.341 1.387 20 5 FDBDMM O=C1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CN1c1ccccc1 ZINC000823520906 606704293 /nfs/dbraw/zinc/70/42/93/606704293.db2.gz PEMPRIFTZMASJQ-SNVBAGLBSA-N -1 1 366.341 1.387 20 5 FDBDMM CCn1cc(C2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cn1 ZINC000821565302 606704774 /nfs/dbraw/zinc/70/47/74/606704774.db2.gz NDWSMXKHSBTQCV-UHFFFAOYSA-N -1 1 369.389 1.770 20 5 FDBDMM CCn1cc(C2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cn1 ZINC000821565302 606704776 /nfs/dbraw/zinc/70/47/76/606704776.db2.gz NDWSMXKHSBTQCV-UHFFFAOYSA-N -1 1 369.389 1.770 20 5 FDBDMM CN(Cc1ccc([S@](C)=O)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821612430 606715516 /nfs/dbraw/zinc/71/55/16/606715516.db2.gz UZPNNDDKRQPEKR-SANMLTNESA-N -1 1 373.398 1.544 20 5 FDBDMM CN(Cc1ccc([S@](C)=O)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821612430 606715517 /nfs/dbraw/zinc/71/55/17/606715517.db2.gz UZPNNDDKRQPEKR-SANMLTNESA-N -1 1 373.398 1.544 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](c2ccsc2)C1 ZINC000823620590 606720300 /nfs/dbraw/zinc/72/03/00/606720300.db2.gz MZKXVRHOHOAEBB-LLVKDONJSA-N -1 1 359.371 1.809 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](c2ccsc2)C1 ZINC000823620590 606720301 /nfs/dbraw/zinc/72/03/01/606720301.db2.gz MZKXVRHOHOAEBB-LLVKDONJSA-N -1 1 359.371 1.809 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC000823646919 606735560 /nfs/dbraw/zinc/73/55/60/606735560.db2.gz CWFIAIWGERSXQW-SNVBAGLBSA-N -1 1 364.387 1.338 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccnc1-n1cccn1 ZINC000823624558 607168103 /nfs/dbraw/zinc/16/81/03/607168103.db2.gz CNJBDSAVHUCANF-UHFFFAOYSA-N -1 1 364.329 1.363 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccnc1-n1cccn1 ZINC000823624558 607168105 /nfs/dbraw/zinc/16/81/05/607168105.db2.gz CNJBDSAVHUCANF-UHFFFAOYSA-N -1 1 364.329 1.363 20 5 FDBDMM CC(C)N(C)C(=O)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820111642 607168243 /nfs/dbraw/zinc/16/82/43/607168243.db2.gz DUQUMNKRJNZXCG-UHFFFAOYSA-N -1 1 374.405 1.253 20 5 FDBDMM CC(C)N(C)C(=O)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820111642 607168244 /nfs/dbraw/zinc/16/82/44/607168244.db2.gz DUQUMNKRJNZXCG-UHFFFAOYSA-N -1 1 374.405 1.253 20 5 FDBDMM CC(C)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000824178516 607839432 /nfs/dbraw/zinc/83/94/32/607839432.db2.gz VTRVOVGOFCSILM-UHFFFAOYSA-N -1 1 359.390 1.834 20 5 FDBDMM CC(C)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000824178516 607839433 /nfs/dbraw/zinc/83/94/33/607839433.db2.gz VTRVOVGOFCSILM-UHFFFAOYSA-N -1 1 359.390 1.834 20 5 FDBDMM O=[N+]([O-])c1ccc(N2CCO[C@H](c3nccs3)C2)cc1-c1nnn[n-]1 ZINC000826498618 607841583 /nfs/dbraw/zinc/84/15/83/607841583.db2.gz CSDOOHBHFTULLZ-LBPRGKRZSA-N -1 1 359.371 1.809 20 5 FDBDMM O=[N+]([O-])c1ccc(N2CCO[C@H](c3nccs3)C2)cc1-c1nn[n-]n1 ZINC000826498618 607841584 /nfs/dbraw/zinc/84/15/84/607841584.db2.gz CSDOOHBHFTULLZ-LBPRGKRZSA-N -1 1 359.371 1.809 20 5 FDBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)nc1 ZINC000826499122 607903263 /nfs/dbraw/zinc/90/32/63/607903263.db2.gz WONJYLASCOWGCP-SNVBAGLBSA-N -1 1 353.346 1.256 20 5 FDBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)nc1 ZINC000826499122 607903264 /nfs/dbraw/zinc/90/32/64/607903264.db2.gz WONJYLASCOWGCP-SNVBAGLBSA-N -1 1 353.346 1.256 20 5 FDBDMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000276881193 674792238 /nfs/dbraw/zinc/79/22/38/674792238.db2.gz IWVFVSQWMVLFQL-UHFFFAOYSA-N -1 1 367.387 1.624 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](O)Cc1ccccc1 ZINC000161053516 672006883 /nfs/dbraw/zinc/00/68/83/672006883.db2.gz YXOZHBVCNSBZHO-LBPRGKRZSA-N -1 1 354.359 1.616 20 5 FDBDMM CN(CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC(F)(F)F ZINC000194345934 672383595 /nfs/dbraw/zinc/38/35/95/672383595.db2.gz OPXHRRNCVHQOKX-UHFFFAOYSA-N -1 1 373.328 1.896 20 5 FDBDMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000267200438 673268630 /nfs/dbraw/zinc/26/86/30/673268630.db2.gz QIMBPCMPEAPTCS-UHFFFAOYSA-N -1 1 367.387 1.624 20 5 FDBDMM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000280353151 675410485 /nfs/dbraw/zinc/41/04/85/675410485.db2.gz WUEOUGGPUDZLKQ-LLVKDONJSA-N -1 1 359.379 1.271 20 5 FDBDMM COCCn1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000281882540 675573286 /nfs/dbraw/zinc/57/32/86/675573286.db2.gz DHHOFYVGCWYGAP-UHFFFAOYSA-N -1 1 358.351 1.055 20 5 FDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C=C[C@H](CO)C2)cc1Cl ZINC000290792924 676232556 /nfs/dbraw/zinc/23/25/56/676232556.db2.gz QORQHLUZKUBMRZ-JGVFFNPUSA-N -1 1 350.755 1.603 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nccs1 ZINC000416576304 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ZINC000481708068 568090767 /nfs/dbraw/zinc/09/07/67/568090767.db2.gz RKCWXELNSVUQPN-UHFFFAOYSA-N -1 1 357.323 1.091 20 5 FDBDMM COC[C@@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000291320291 568109481 /nfs/dbraw/zinc/10/94/81/568109481.db2.gz URDZMQBWRKJWJY-GOSISDBHSA-N -1 1 373.365 1.540 20 5 FDBDMM O=C1C[C@@H](c2cccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c2)CN1 ZINC000823521456 607386029 /nfs/dbraw/zinc/38/60/29/607386029.db2.gz XEHZXWXUENWJEK-SNVBAGLBSA-N -1 1 366.341 1.517 20 5 FDBDMM O=C1C[C@@H](c2cccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c2)CN1 ZINC000823521456 607386032 /nfs/dbraw/zinc/38/60/32/607386032.db2.gz XEHZXWXUENWJEK-SNVBAGLBSA-N -1 1 366.341 1.517 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2CCCC2)c1-c1nn[n-]n1 ZINC000826500097 607584706 /nfs/dbraw/zinc/58/47/06/607584706.db2.gz KYZRIDJAZCHTFT-UHFFFAOYSA-N -1 1 366.403 1.634 20 5 FDBDMM C[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824929124 607585026 /nfs/dbraw/zinc/58/50/26/607585026.db2.gz WDNJKPLMTMZSCJ-UWVGGRQHSA-N -1 1 366.403 1.632 20 5 FDBDMM Nc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc(F)cc1[N+](=O)[O-] ZINC000826395711 607603438 /nfs/dbraw/zinc/60/34/38/607603438.db2.gz PZWURZFSDHQEKZ-UHFFFAOYSA-N -1 1 359.277 1.248 20 5 FDBDMM Nc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc(F)cc1[N+](=O)[O-] ZINC000826395711 607603440 /nfs/dbraw/zinc/60/34/40/607603440.db2.gz PZWURZFSDHQEKZ-UHFFFAOYSA-N -1 1 359.277 1.248 20 5 FDBDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000825264507 604228688 /nfs/dbraw/zinc/22/86/88/604228688.db2.gz KXGBGNNOSJRCMC-ZYHUDNBSSA-N -1 1 350.375 1.562 20 5 FDBDMM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1CCC(=O)[O-] ZINC000833620782 605251838 /nfs/dbraw/zinc/25/18/38/605251838.db2.gz HCNHEIXDDDDAMN-SNVBAGLBSA-N -1 1 355.778 1.869 20 5 FDBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832983 605910075 /nfs/dbraw/zinc/91/00/75/605910075.db2.gz VYVCFPXAPLAFRV-UTUOFQBUSA-N -1 1 350.375 1.900 20 5 FDBDMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820920945 606165161 /nfs/dbraw/zinc/16/51/61/606165161.db2.gz UMWQOHKQEQOBOB-LBPRGKRZSA-N -1 1 371.361 1.781 20 5 FDBDMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820920945 606165162 /nfs/dbraw/zinc/16/51/62/606165162.db2.gz UMWQOHKQEQOBOB-LBPRGKRZSA-N -1 1 371.361 1.781 20 5 FDBDMM Cc1cc(NC(=O)CN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)no1 ZINC000822207341 606645022 /nfs/dbraw/zinc/64/50/22/606645022.db2.gz SHLUAUDLPJMIEO-UHFFFAOYSA-N -1 1 358.318 1.146 20 5 FDBDMM Cc1ccoc1C(=O)NCCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822378978 606645719 /nfs/dbraw/zinc/64/57/19/606645719.db2.gz IGPXUIKITNVWHN-UHFFFAOYSA-N -1 1 371.357 1.908 20 5 FDBDMM CN(CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC(F)(F)F ZINC000821600507 606698214 /nfs/dbraw/zinc/69/82/14/606698214.db2.gz PNBYUSUQMRDHAB-UHFFFAOYSA-N -1 1 360.300 1.466 20 5 FDBDMM CN(CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC(F)(F)F ZINC000821600507 606698216 /nfs/dbraw/zinc/69/82/16/606698216.db2.gz PNBYUSUQMRDHAB-UHFFFAOYSA-N -1 1 360.300 1.466 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(-n2cncn2)cc1 ZINC000823625176 606698618 /nfs/dbraw/zinc/69/86/18/606698618.db2.gz SBNPPMKUTGKZES-UHFFFAOYSA-N -1 1 364.329 1.363 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(-n2cncn2)cc1 ZINC000823625176 606698620 /nfs/dbraw/zinc/69/86/20/606698620.db2.gz SBNPPMKUTGKZES-UHFFFAOYSA-N -1 1 364.329 1.363 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000823620083 606699790 /nfs/dbraw/zinc/69/97/90/606699790.db2.gz HSDQXTOYJRSWJZ-QMMMGPOBSA-N -1 1 372.311 1.466 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000823620083 606699792 /nfs/dbraw/zinc/69/97/92/606699792.db2.gz HSDQXTOYJRSWJZ-QMMMGPOBSA-N -1 1 372.311 1.466 20 5 FDBDMM Cc1ccn2cc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])nc2c1 ZINC000822374314 606702116 /nfs/dbraw/zinc/70/21/16/606702116.db2.gz QOPQGRNELNMUDG-UHFFFAOYSA-N -1 1 351.330 1.738 20 5 FDBDMM Cc1ccn2cc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])nc2c1 ZINC000822374314 606702117 /nfs/dbraw/zinc/70/21/17/606702117.db2.gz QOPQGRNELNMUDG-UHFFFAOYSA-N -1 1 351.330 1.738 20 5 FDBDMM CN(C[C@H]1OCCc2ccccc21)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821597986 606706953 /nfs/dbraw/zinc/70/69/53/606706953.db2.gz NFFUGFTZXSMCKI-CQSZACIVSA-N -1 1 367.369 1.920 20 5 FDBDMM CN(C[C@H]1OCCc2ccccc21)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821597986 606706955 /nfs/dbraw/zinc/70/69/55/606706955.db2.gz NFFUGFTZXSMCKI-CQSZACIVSA-N -1 1 367.369 1.920 20 5 FDBDMM CC(C)(C)C(=O)N[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000819898859 606707672 /nfs/dbraw/zinc/70/76/72/606707672.db2.gz JGYTWDPVPYWESU-JTQLQIEISA-N -1 1 374.405 1.301 20 5 FDBDMM CC(C)(C)C(=O)N[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000819898859 606707673 /nfs/dbraw/zinc/70/76/73/606707673.db2.gz JGYTWDPVPYWESU-JTQLQIEISA-N -1 1 374.405 1.301 20 5 FDBDMM Cc1nc(C)n([C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)n1 ZINC000822432058 606708867 /nfs/dbraw/zinc/70/88/67/606708867.db2.gz UZPCHLSUKVGHCD-NSHDSACASA-N -1 1 370.377 1.220 20 5 FDBDMM Cc1nc(C)n([C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)n1 ZINC000822432058 606708868 /nfs/dbraw/zinc/70/88/68/606708868.db2.gz UZPCHLSUKVGHCD-NSHDSACASA-N -1 1 370.377 1.220 20 5 FDBDMM CN(C(=O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CCCCC1 ZINC000821571035 606715165 /nfs/dbraw/zinc/71/51/65/606715165.db2.gz WQSGHGDVVLNGBA-UHFFFAOYSA-N -1 1 360.378 1.373 20 5 FDBDMM CN(C(=O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CCCCC1 ZINC000821571035 606715167 /nfs/dbraw/zinc/71/51/67/606715167.db2.gz WQSGHGDVVLNGBA-UHFFFAOYSA-N -1 1 360.378 1.373 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC[C@@H]1COc2ccccc2O1 ZINC000823624796 607038891 /nfs/dbraw/zinc/03/88/91/607038891.db2.gz JUAXLKXGYKRIGM-SNVBAGLBSA-N -1 1 369.341 1.812 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC[C@@H]1COc2ccccc2O1 ZINC000823624796 607038893 /nfs/dbraw/zinc/03/88/93/607038893.db2.gz JUAXLKXGYKRIGM-SNVBAGLBSA-N -1 1 369.341 1.812 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000823620056 607176471 /nfs/dbraw/zinc/17/64/71/607176471.db2.gz HKBSHMYVAGRUFW-XPTSAGLGSA-N -1 1 363.403 1.637 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000823620056 607176472 /nfs/dbraw/zinc/17/64/72/607176472.db2.gz HKBSHMYVAGRUFW-XPTSAGLGSA-N -1 1 363.403 1.637 20 5 FDBDMM CC(=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823942530 609503375 /nfs/dbraw/zinc/50/33/75/609503375.db2.gz FNZOXNQLNOVLTC-CLFYSBASSA-N -1 1 354.330 1.550 20 5 FDBDMM CC(=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823942530 609503376 /nfs/dbraw/zinc/50/33/76/609503376.db2.gz FNZOXNQLNOVLTC-CLFYSBASSA-N -1 1 354.330 1.550 20 5 FDBDMM C[C@](O)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000118948143 671668721 /nfs/dbraw/zinc/66/87/21/671668721.db2.gz BOMUMMQZOWQACE-HNNXBMFYSA-N -1 1 354.359 1.920 20 5 FDBDMM O=C1OCCN1c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1[N+](=O)[O-] ZINC000288627761 676031698 /nfs/dbraw/zinc/03/16/98/676031698.db2.gz RHNXCTVEVBZUCV-UHFFFAOYSA-N -1 1 369.277 1.392 20 5 FDBDMM CN1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1=O ZINC000289299106 676117650 /nfs/dbraw/zinc/11/76/50/676117650.db2.gz IBYPGQRFXPPSJC-ZCFIWIBFSA-N -1 1 368.198 1.411 20 5 FDBDMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)no1 ZINC000289595782 676156899 /nfs/dbraw/zinc/15/68/99/676156899.db2.gz QAUYGYRZJJFQLM-SNVBAGLBSA-N -1 1 370.387 1.862 20 5 FDBDMM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000292877859 676324212 /nfs/dbraw/zinc/32/42/12/676324212.db2.gz YNJPWUGURLYIFL-LBPRGKRZSA-N -1 1 363.823 1.687 20 5 FDBDMM NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000325141055 676573682 /nfs/dbraw/zinc/57/36/82/676573682.db2.gz ZZYWZJGOZCQCRG-UHFFFAOYSA-N -1 1 371.396 1.184 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CN2CCCC[C@H]2CO1 ZINC000367070032 677483901 /nfs/dbraw/zinc/48/39/01/677483901.db2.gz BSVJNURSYPTNDC-NWDGAFQWSA-N -1 1 373.406 1.266 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(O)Cc2ccccc2C1 ZINC000371255900 677656253 /nfs/dbraw/zinc/65/62/53/677656253.db2.gz MUYMIXGMNSZCPC-UHFFFAOYSA-N -1 1 366.370 1.542 20 5 FDBDMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000436758268 681722126 /nfs/dbraw/zinc/72/21/26/681722126.db2.gz WTCNZFCQFYOMMF-UHFFFAOYSA-N -1 1 365.367 1.803 20 5 FDBDMM CSc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1 ZINC000440070931 681966769 /nfs/dbraw/zinc/96/67/69/681966769.db2.gz ASXHTPMSLANVRZ-UHFFFAOYSA-N -1 1 374.425 1.824 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c([N+](=O)[O-])n1 ZINC000443420283 682295227 /nfs/dbraw/zinc/29/52/27/682295227.db2.gz USCUUSOPHCBBPS-UHFFFAOYSA-N -1 1 354.392 1.993 20 5 FDBDMM 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359.323 1.876 20 5 FDBDMM O=[N+]([O-])c1cnc(Sc2nnc(NC3CC3)s2)c(-c2nn[n-]n2)c1 ZINC000823651142 599300565 /nfs/dbraw/zinc/30/05/65/599300565.db2.gz GYQYDINCNZGKGF-UHFFFAOYSA-N -1 1 363.388 1.747 20 5 FDBDMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000828493510 601113535 /nfs/dbraw/zinc/11/35/35/601113535.db2.gz GLWLAOMXDMARLC-CYBMUJFWSA-N -1 1 359.386 1.700 20 5 FDBDMM Cc1cccc(S(=O)(=O)Oc2cccnc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826304645 607575814 /nfs/dbraw/zinc/57/58/14/607575814.db2.gz SROGIICTEWBKPC-UHFFFAOYSA-N -1 1 362.327 1.246 20 5 FDBDMM O=C([O-])N1CCC[C@H](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000740435379 602644048 /nfs/dbraw/zinc/64/40/48/602644048.db2.gz VAZXKNCKXIELQN-SNVBAGLBSA-N -1 1 361.358 1.981 20 5 FDBDMM C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824937640 607610105 /nfs/dbraw/zinc/61/01/05/607610105.db2.gz QHQJKVRGEYHLPD-RKDXNWHRSA-N -1 1 352.376 1.242 20 5 FDBDMM COc1cc(CNC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])c([N+](=O)[O-])cc1O ZINC000829124378 603565860 /nfs/dbraw/zinc/56/58/60/603565860.db2.gz GDIJNEHZAXVBET-BXKDBHETSA-N -1 1 369.374 1.902 20 5 FDBDMM COc1ccc(OCCN2CC[C@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000829499675 603567104 /nfs/dbraw/zinc/56/71/04/603567104.db2.gz BNDAUZNUOUAOOD-YPMHNXCESA-N -1 1 353.375 1.960 20 5 FDBDMM CC[C@H](C)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825061113 607650172 /nfs/dbraw/zinc/65/01/72/607650172.db2.gz WKTHWMQLNVUXSP-UWVGGRQHSA-N -1 1 368.419 1.878 20 5 FDBDMM C[C@@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000827512356 604263254 /nfs/dbraw/zinc/26/32/54/604263254.db2.gz MQMDMPKDJWVWMX-JTQLQIEISA-N -1 1 356.810 1.994 20 5 FDBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833545047 604900815 /nfs/dbraw/zinc/90/08/15/604900815.db2.gz CSCJCUYCSUVHRV-RNCFNFMXSA-N -1 1 364.383 1.611 20 5 FDBDMM CCc1cc(CNc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000833671699 605036503 /nfs/dbraw/zinc/03/65/03/605036503.db2.gz OVPSYXVDCGBDQS-VIFPVBQESA-N -1 1 361.358 1.695 20 5 FDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000833627242 605206293 /nfs/dbraw/zinc/20/62/93/605206293.db2.gz VKESGHGDGUEEDB-JTQLQIEISA-N -1 1 355.778 1.869 20 5 FDBDMM N=C(NOCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1COCCN1C(=O)[O-] ZINC000833980500 605731384 /nfs/dbraw/zinc/73/13/84/605731384.db2.gz OWTIHDLZMZSRJI-NSHDSACASA-N -1 1 358.738 1.625 20 5 FDBDMM Cc1cccc(OC[C@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822327368 606702021 /nfs/dbraw/zinc/70/20/21/606702021.db2.gz HCYFTDJOEFUNQU-LLVKDONJSA-N -1 1 371.357 1.330 20 5 FDBDMM Cc1cccc(OC[C@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822327368 606702022 /nfs/dbraw/zinc/70/20/22/606702022.db2.gz HCYFTDJOEFUNQU-LLVKDONJSA-N -1 1 371.357 1.330 20 5 FDBDMM O=c1[nH]c2c(cc1CNc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CCC2 ZINC000823656372 606711864 /nfs/dbraw/zinc/71/18/64/606711864.db2.gz CMXXJHFNSXFUKT-UHFFFAOYSA-N -1 1 354.330 1.371 20 5 FDBDMM O=c1[nH]c2c(cc1CNc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CCC2 ZINC000823656372 606711865 /nfs/dbraw/zinc/71/18/65/606711865.db2.gz CMXXJHFNSXFUKT-UHFFFAOYSA-N -1 1 354.330 1.371 20 5 FDBDMM Cc1ccoc1C(=O)NCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822379096 606712569 /nfs/dbraw/zinc/71/25/69/606712569.db2.gz KCONFMIXUQLBBO-UHFFFAOYSA-N -1 1 372.345 1.303 20 5 FDBDMM Cc1ccoc1C(=O)NCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822379096 606712570 /nfs/dbraw/zinc/71/25/70/606712570.db2.gz KCONFMIXUQLBBO-UHFFFAOYSA-N -1 1 372.345 1.303 20 5 FDBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000820776956 606714766 /nfs/dbraw/zinc/71/47/66/606714766.db2.gz OBWJIEDUAIYDIL-SVRRBLITSA-N -1 1 359.268 1.326 20 5 FDBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000820776956 606714767 /nfs/dbraw/zinc/71/47/67/606714767.db2.gz OBWJIEDUAIYDIL-SVRRBLITSA-N -1 1 359.268 1.326 20 5 FDBDMM CN(C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821592378 606731003 /nfs/dbraw/zinc/73/10/03/606731003.db2.gz CVTCOEUUBGNOTD-UHFFFAOYSA-N -1 1 352.376 1.338 20 5 FDBDMM CCC[C@@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821016540 606732342 /nfs/dbraw/zinc/73/23/42/606732342.db2.gz XHZLSXSWTRDKCK-SECBINFHSA-N -1 1 354.392 1.584 20 5 FDBDMM C[C@H]1CCCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820706400 606734147 /nfs/dbraw/zinc/73/41/47/606734147.db2.gz ZZJNDTWLCDTNCM-JTQLQIEISA-N -1 1 366.403 1.728 20 5 FDBDMM CC[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820989111 606736130 /nfs/dbraw/zinc/73/61/30/606736130.db2.gz MDJYQRSFAOYWCD-SECBINFHSA-N -1 1 352.376 1.196 20 5 FDBDMM C[C@@H]1[C@@H](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820727299 606736390 /nfs/dbraw/zinc/73/63/90/606736390.db2.gz KLKFWATXEJNBIX-DTWKUNHWSA-N -1 1 352.376 1.194 20 5 FDBDMM C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H]1C ZINC000820727301 606736411 /nfs/dbraw/zinc/73/64/11/606736411.db2.gz KLKFWATXEJNBIX-IUCAKERBSA-N -1 1 352.376 1.194 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](Oc2cccnc2)C1 ZINC000823621220 606790681 /nfs/dbraw/zinc/79/06/81/606790681.db2.gz ZRDXTYZHWNDJIO-NSHDSACASA-N -1 1 354.330 1.223 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](Oc2cccnc2)C1 ZINC000823621220 606790683 /nfs/dbraw/zinc/79/06/83/606790683.db2.gz ZRDXTYZHWNDJIO-NSHDSACASA-N -1 1 354.330 1.223 20 5 FDBDMM O=C(CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])OCc1ccccc1 ZINC000822968908 607031915 /nfs/dbraw/zinc/03/19/15/607031915.db2.gz DSAUYGYKRTZZMH-UHFFFAOYSA-N -1 1 369.341 1.715 20 5 FDBDMM O=C(CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])OCc1ccccc1 ZINC000822968908 607031917 /nfs/dbraw/zinc/03/19/17/607031917.db2.gz DSAUYGYKRTZZMH-UHFFFAOYSA-N -1 1 369.341 1.715 20 5 FDBDMM C[C@@H]1Oc2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2NC1=O ZINC000820821966 607164275 /nfs/dbraw/zinc/16/42/75/607164275.db2.gz WQYCHAZWYLGCJQ-ZETCQYMHSA-N -1 1 368.313 1.633 20 5 FDBDMM C[C@@H]1Oc2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2NC1=O ZINC000820821966 607164276 /nfs/dbraw/zinc/16/42/76/607164276.db2.gz WQYCHAZWYLGCJQ-ZETCQYMHSA-N -1 1 368.313 1.633 20 5 FDBDMM COc1ccc(OCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821846155 607164714 /nfs/dbraw/zinc/16/47/14/607164714.db2.gz NRUUMVKYERTLOH-UHFFFAOYSA-N -1 1 357.330 1.669 20 5 FDBDMM COc1ccc(OCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821846155 607164715 /nfs/dbraw/zinc/16/47/15/607164715.db2.gz NRUUMVKYERTLOH-UHFFFAOYSA-N -1 1 357.330 1.669 20 5 FDBDMM CCCCNC(=O)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821065863 607167256 /nfs/dbraw/zinc/16/72/56/607167256.db2.gz NYSYOTWXDZUNNP-UHFFFAOYSA-N -1 1 374.405 1.303 20 5 FDBDMM CCCCNC(=O)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821065863 607167258 /nfs/dbraw/zinc/16/72/58/607167258.db2.gz NYSYOTWXDZUNNP-UHFFFAOYSA-N -1 1 374.405 1.303 20 5 FDBDMM CCc1nn(C)c(CC)c1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825760390 607850517 /nfs/dbraw/zinc/85/05/17/607850517.db2.gz XCDUBZVPKAHPMT-UHFFFAOYSA-N -1 1 357.378 1.640 20 5 FDBDMM CCc1nn(C)c(CC)c1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825760390 607850518 /nfs/dbraw/zinc/85/05/18/607850518.db2.gz XCDUBZVPKAHPMT-UHFFFAOYSA-N -1 1 357.378 1.640 20 5 FDBDMM COc1ccc(-c2nn[nH]n2)cc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000826184080 609621663 /nfs/dbraw/zinc/62/16/63/609621663.db2.gz KBRPSBXHSBTLQJ-UHFFFAOYSA-N -1 1 371.309 1.846 20 5 FDBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-] ZINC000274997734 674600761 /nfs/dbraw/zinc/60/07/61/674600761.db2.gz NPAYAJHLGKONGH-CYBMUJFWSA-N -1 1 371.415 1.121 20 5 FDBDMM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277948380 675068337 /nfs/dbraw/zinc/06/83/37/675068337.db2.gz CMCXFSXCUISYCG-NSHDSACASA-N -1 1 351.359 1.889 20 5 FDBDMM COC[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000044476014 670958825 /nfs/dbraw/zinc/95/88/25/670958825.db2.gz YJJFWKWHLHTYDS-MRVPVSSYSA-N -1 1 367.221 1.918 20 5 FDBDMM C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000278643821 675166204 /nfs/dbraw/zinc/16/62/04/675166204.db2.gz GCEPJQNJIQFCQK-PRHODGIISA-N -1 1 350.780 1.066 20 5 FDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccon1 ZINC000118911305 671668576 /nfs/dbraw/zinc/66/85/76/671668576.db2.gz QPOMWNPEYQXLAL-UHFFFAOYSA-N -1 1 362.161 1.824 20 5 FDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCOC1 ZINC000131365921 671803377 /nfs/dbraw/zinc/80/33/77/671803377.db2.gz MIWALQHWRUHACY-QMMMGPOBSA-N -1 1 351.178 1.425 20 5 FDBDMM O=C(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Nc1ccccc1 ZINC000171106850 672051306 /nfs/dbraw/zinc/05/13/06/672051306.db2.gz MJULGFZXIOCFMA-UHFFFAOYSA-N -1 1 353.331 1.651 20 5 FDBDMM O=C(CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])NC1CCCCC1 ZINC000194353082 672383568 /nfs/dbraw/zinc/38/35/68/672383568.db2.gz SWWCLAHCBPUQAR-UHFFFAOYSA-N -1 1 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CCc1[nH]nc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1[N+](=O)[O-] ZINC000444354165 682403788 /nfs/dbraw/zinc/40/37/88/682403788.db2.gz WJILFCIAZRXSQF-UHFFFAOYSA-N -1 1 371.350 1.643 20 5 FDBDMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000462705044 684658304 /nfs/dbraw/zinc/65/83/04/684658304.db2.gz PZHMBKJBHDIVSE-NSHDSACASA-N -1 1 370.408 1.891 20 5 FDBDMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000463685901 684702437 /nfs/dbraw/zinc/70/24/37/684702437.db2.gz UHJVOHRAIITBTI-QMMMGPOBSA-N -1 1 363.355 1.874 20 5 FDBDMM CCC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1nn[n-]n1 ZINC000467645636 684870991 /nfs/dbraw/zinc/87/09/91/684870991.db2.gz ZYTXUYMBFYYBNB-SNVBAGLBSA-N -1 1 350.335 1.153 20 5 FDBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000510880408 689432366 /nfs/dbraw/zinc/43/23/66/689432366.db2.gz UERFCKHCNBAJAN-UHFFFAOYSA-N -1 1 362.367 1.355 20 5 FDBDMM COc1ccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1F ZINC000525688277 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/nfs/dbraw/zinc/64/77/50/606647750.db2.gz KEXHYUVKHAOEIW-UHFFFAOYSA-N -1 1 356.298 1.292 20 5 FDBDMM O=C(COc1cccc([N+](=O)[O-])c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823049759 606647751 /nfs/dbraw/zinc/64/77/51/606647751.db2.gz KEXHYUVKHAOEIW-UHFFFAOYSA-N -1 1 356.298 1.292 20 5 FDBDMM Cn1nccc1[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822709643 606699771 /nfs/dbraw/zinc/69/97/71/606699771.db2.gz PGALAHPYLJUSIO-JTQLQIEISA-N -1 1 355.362 1.287 20 5 FDBDMM Cn1nccc1[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822709643 606699773 /nfs/dbraw/zinc/69/97/73/606699773.db2.gz PGALAHPYLJUSIO-JTQLQIEISA-N -1 1 355.362 1.287 20 5 FDBDMM CCCCNC(=O)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821065500 606704812 /nfs/dbraw/zinc/70/48/12/606704812.db2.gz JYIOAKAGIMGXNU-LLVKDONJSA-N -1 1 374.405 1.303 20 5 FDBDMM CCCCNC(=O)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821065500 606704814 /nfs/dbraw/zinc/70/48/14/606704814.db2.gz JYIOAKAGIMGXNU-LLVKDONJSA-N -1 1 374.405 1.303 20 5 FDBDMM CC(C)c1nnc2n1C[C@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000820211075 606705007 /nfs/dbraw/zinc/70/50/07/606705007.db2.gz BYOMZXFGFNECDX-SECBINFHSA-N -1 1 370.377 1.312 20 5 FDBDMM CC(C)c1nnc2n1C[C@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000820211075 606705008 /nfs/dbraw/zinc/70/50/08/606705008.db2.gz BYOMZXFGFNECDX-SECBINFHSA-N -1 1 370.377 1.312 20 5 FDBDMM O=Cc1ccc([N+](=O)[O-])c(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000823557004 606705277 /nfs/dbraw/zinc/70/52/77/606705277.db2.gz DUEXIZMDIIAWNJ-UHFFFAOYSA-N -1 1 357.242 1.683 20 5 FDBDMM O=Cc1ccc([N+](=O)[O-])c(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000823557004 606705278 /nfs/dbraw/zinc/70/52/78/606705278.db2.gz DUEXIZMDIIAWNJ-UHFFFAOYSA-N -1 1 357.242 1.683 20 5 FDBDMM CCCC(=O)NC[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821008786 606706134 /nfs/dbraw/zinc/70/61/34/606706134.db2.gz LKXYYENIGQDEDR-NSHDSACASA-N -1 1 374.405 1.303 20 5 FDBDMM CCCC(=O)NC[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821008786 606706135 /nfs/dbraw/zinc/70/61/35/606706135.db2.gz LKXYYENIGQDEDR-NSHDSACASA-N -1 1 374.405 1.303 20 5 FDBDMM CCCC(=O)N[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821000526 606706286 /nfs/dbraw/zinc/70/62/86/606706286.db2.gz GMZMCBJIXCVNKK-JTQLQIEISA-N -1 1 360.378 1.055 20 5 FDBDMM CCCC(=O)N[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821000526 606706288 /nfs/dbraw/zinc/70/62/88/606706288.db2.gz GMZMCBJIXCVNKK-JTQLQIEISA-N -1 1 360.378 1.055 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCCNc1ccccn1 ZINC000823625100 606707187 /nfs/dbraw/zinc/70/71/87/606707187.db2.gz OZKLTOXEFXGGFH-UHFFFAOYSA-N -1 1 355.362 1.869 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nccn1CC(F)(F)F ZINC000823625190 606707503 /nfs/dbraw/zinc/70/75/03/606707503.db2.gz SODSUJVBGWPSNL-UHFFFAOYSA-N -1 1 369.267 1.541 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nccn1CC(F)(F)F ZINC000823625190 606707504 /nfs/dbraw/zinc/70/75/04/606707504.db2.gz SODSUJVBGWPSNL-UHFFFAOYSA-N -1 1 369.267 1.541 20 5 FDBDMM COc1cccc([C@@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821863919 606710168 /nfs/dbraw/zinc/71/01/68/606710168.db2.gz QYDYOUCDKFFNTG-LBPRGKRZSA-N -1 1 357.330 1.324 20 5 FDBDMM COc1cccc([C@@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821863919 606710169 /nfs/dbraw/zinc/71/01/69/606710169.db2.gz QYDYOUCDKFFNTG-LBPRGKRZSA-N -1 1 357.330 1.324 20 5 FDBDMM COC(=O)NCc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821664612 606710931 /nfs/dbraw/zinc/71/09/31/606710931.db2.gz AUPZELMKWFFMDJ-UHFFFAOYSA-N -1 1 370.329 1.770 20 5 FDBDMM COC(=O)NCc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821664612 606710932 /nfs/dbraw/zinc/71/09/32/606710932.db2.gz AUPZELMKWFFMDJ-UHFFFAOYSA-N -1 1 370.329 1.770 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1OCCc2ccccc21 ZINC000823624988 606711919 /nfs/dbraw/zinc/71/19/19/606711919.db2.gz NNPXRIZYMDURMX-ZDUSSCGKSA-N -1 1 353.342 1.896 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1OCCc2ccccc21 ZINC000823624988 606711920 /nfs/dbraw/zinc/71/19/20/606711920.db2.gz NNPXRIZYMDURMX-ZDUSSCGKSA-N -1 1 353.342 1.896 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(O)Cc2ccccc2C1 ZINC000823620002 606712316 /nfs/dbraw/zinc/71/23/16/606712316.db2.gz FUVGEKMLAZGSBU-UHFFFAOYSA-N -1 1 353.342 1.112 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(O)Cc2ccccc2C1 ZINC000823620002 606712318 /nfs/dbraw/zinc/71/23/18/606712318.db2.gz FUVGEKMLAZGSBU-UHFFFAOYSA-N -1 1 353.342 1.112 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1nc2ccccc2o1 ZINC000823624571 606714087 /nfs/dbraw/zinc/71/40/87/606714087.db2.gz CWVLWYXTRRONCN-UHFFFAOYSA-N -1 1 352.314 1.966 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1nc2ccccc2o1 ZINC000823624571 606714089 /nfs/dbraw/zinc/71/40/89/606714089.db2.gz CWVLWYXTRRONCN-UHFFFAOYSA-N -1 1 352.314 1.966 20 5 FDBDMM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821448819 606716501 /nfs/dbraw/zinc/71/65/01/606716501.db2.gz OIPHVHRZXQETPR-ZLEPTUEESA-N -1 1 365.419 1.662 20 5 FDBDMM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821448819 606716502 /nfs/dbraw/zinc/71/65/02/606716502.db2.gz OIPHVHRZXQETPR-ZLEPTUEESA-N -1 1 365.419 1.662 20 5 FDBDMM C[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000820727452 606719163 /nfs/dbraw/zinc/71/91/63/606719163.db2.gz MBFSJOQSMMTTDW-CMPLNLGQSA-N -1 1 355.362 1.454 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCN(c2ncccc2F)C1 ZINC000823620493 606720673 /nfs/dbraw/zinc/72/06/73/606720673.db2.gz LTUZFQYRIGRUGX-VIFPVBQESA-N -1 1 371.336 1.395 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCN(c2ncccc2F)C1 ZINC000823620493 606720675 /nfs/dbraw/zinc/72/06/75/606720675.db2.gz LTUZFQYRIGRUGX-VIFPVBQESA-N -1 1 371.336 1.395 20 5 FDBDMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000819971843 606810387 /nfs/dbraw/zinc/81/03/87/606810387.db2.gz UGUPHGBVSLCUFN-UHFFFAOYSA-N -1 1 357.334 1.374 20 5 FDBDMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000819971843 606810388 /nfs/dbraw/zinc/81/03/88/606810388.db2.gz UGUPHGBVSLCUFN-UHFFFAOYSA-N -1 1 357.334 1.374 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(Cc2ccco2)CC1 ZINC000823620835 607165584 /nfs/dbraw/zinc/16/55/84/607165584.db2.gz QTAWRRTVNULYTB-UHFFFAOYSA-N -1 1 356.346 1.085 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(Cc2ccco2)CC1 ZINC000823620835 607165586 /nfs/dbraw/zinc/16/55/86/607165586.db2.gz QTAWRRTVNULYTB-UHFFFAOYSA-N -1 1 356.346 1.085 20 5 FDBDMM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826272400 609163602 /nfs/dbraw/zinc/16/36/02/609163602.db2.gz HKPINAVYTWNLNW-UHFFFAOYSA-N -1 1 370.325 1.714 20 5 FDBDMM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826272400 609163603 /nfs/dbraw/zinc/16/36/03/609163603.db2.gz HKPINAVYTWNLNW-UHFFFAOYSA-N -1 1 370.325 1.714 20 5 FDBDMM CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274989506 674600155 /nfs/dbraw/zinc/60/01/55/674600155.db2.gz MNDWUZKCJMUIRZ-LLVKDONJSA-N -1 1 354.388 1.079 20 5 FDBDMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000276821320 674776467 /nfs/dbraw/zinc/77/64/67/674776467.db2.gz GOUQYZUAIJFZOT-UHFFFAOYSA-N -1 1 367.387 1.624 20 5 FDBDMM CC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000277490516 674953822 /nfs/dbraw/zinc/95/38/22/674953822.db2.gz DKABNDRFKJTAET-ZCFIWIBFSA-N -1 1 371.184 1.546 20 5 FDBDMM CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000278212390 675106091 /nfs/dbraw/zinc/10/60/91/675106091.db2.gz KKOQJVLBUPBPRA-MRXNPFEDSA-N -1 1 351.359 1.747 20 5 FDBDMM C[C@H](O)CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000278787632 675195920 /nfs/dbraw/zinc/19/59/20/675195920.db2.gz QHKCLAXMCHUCMS-QMMMGPOBSA-N -1 1 367.221 1.797 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](O)Cc1ccccc1 ZINC000161053624 672006790 /nfs/dbraw/zinc/00/67/90/672006790.db2.gz YXOZHBVCNSBZHO-GFCCVEGCSA-N -1 1 354.359 1.616 20 5 FDBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NN=c1nc(OC)cc(C)[n-]1 ZINC000267000744 673231320 /nfs/dbraw/zinc/23/13/20/673231320.db2.gz CRYXOYRPJBAYSP-UHFFFAOYSA-N -1 1 367.387 1.570 20 5 FDBDMM COCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290764811 676230245 /nfs/dbraw/zinc/23/02/45/676230245.db2.gz NUADTCWXJNIMDB-LBPRGKRZSA-N -1 1 370.786 1.453 20 5 FDBDMM Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000363032592 676930946 /nfs/dbraw/zinc/93/09/46/676930946.db2.gz RIRAQJKVJAHTOO-SNVBAGLBSA-N -1 1 354.413 1.591 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)s1 ZINC000363733792 676971149 /nfs/dbraw/zinc/97/11/49/676971149.db2.gz POEAKLSTLYQHQT-BXKDBHETSA-N -1 1 364.470 1.989 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000376148951 678231670 /nfs/dbraw/zinc/23/16/70/678231670.db2.gz KEISHWMOBPHOHU-HZMBPMFUSA-N -1 1 360.363 1.350 20 5 FDBDMM CCc1nnc(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])s1 ZINC000414352620 679341804 /nfs/dbraw/zinc/34/18/04/679341804.db2.gz XISAACRLBSBBCY-UHFFFAOYSA-N -1 1 372.384 1.185 20 5 FDBDMM COc1cc([N+](=O)[O-])c(C(=O)NC2(c3nn[n-]n3)CC2)cc1SC ZINC000470984944 685100835 /nfs/dbraw/zinc/10/08/35/685100835.db2.gz KKLHNWOJSRBKAA-UHFFFAOYSA-N -1 1 350.360 1.258 20 5 FDBDMM COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477024047 685804833 /nfs/dbraw/zinc/80/48/33/685804833.db2.gz JFTPPUPDKXDJNQ-UHFFFAOYSA-N -1 1 364.387 1.266 20 5 FDBDMM Cc1c(Br)cc(C(=O)NC2(c3nn[n-]n3)CC2)cc1[N+](=O)[O-] ZINC000477056941 685811042 /nfs/dbraw/zinc/81/10/42/685811042.db2.gz HXSVQNPJAVVXIJ-UHFFFAOYSA-N -1 1 367.163 1.598 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)n[nH]2)s1 ZINC000478896738 685928835 /nfs/dbraw/zinc/92/88/35/685928835.db2.gz JJWCBNVZSNVDDH-UHFFFAOYSA-N -1 1 357.295 1.272 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000479481741 686025407 /nfs/dbraw/zinc/02/54/07/686025407.db2.gz AEOKZMNKEQHNHB-UHFFFAOYSA-N -1 1 358.763 1.987 20 5 FDBDMM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1Cc2ccccc2C1 ZINC000480992134 686274945 /nfs/dbraw/zinc/27/49/45/686274945.db2.gz VKOWGNBXIAIACR-UHFFFAOYSA-N -1 1 367.408 1.477 20 5 FDBDMM Cc1nc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n[nH]1 ZINC000505842801 688534158 /nfs/dbraw/zinc/53/41/58/688534158.db2.gz QJNLNFPKFMVQKA-ZETCQYMHSA-N -1 1 369.359 1.067 20 5 FDBDMM COc1cc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)ccc1[N+](=O)[O-] ZINC000508141779 688711781 /nfs/dbraw/zinc/71/17/81/688711781.db2.gz HKOCTDKRHXNLMY-NSHDSACASA-N -1 1 370.305 1.603 20 5 FDBDMM O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000521888438 694446473 /nfs/dbraw/zinc/44/64/73/694446473.db2.gz SMCUDPCZHDIPHI-UHFFFAOYSA-N -1 1 368.346 1.854 20 5 FDBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1[N+](=O)[O-] ZINC000535656579 694907845 /nfs/dbraw/zinc/90/78/45/694907845.db2.gz 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ZINC000424260938 538266128 /nfs/dbraw/zinc/26/61/28/538266128.db2.gz BRTGDEMWFZQNNE-FZMZJTMJSA-N -1 1 356.400 1.554 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(F)cc2)s1 ZINC000501191648 538638124 /nfs/dbraw/zinc/63/81/24/538638124.db2.gz JNKCWHMYFTXQGC-LLVKDONJSA-N -1 1 360.388 1.677 20 5 FDBDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)CC ZINC000462575977 538641610 /nfs/dbraw/zinc/64/16/10/538641610.db2.gz FMEVTRQKCMPJPT-LDYMZIIASA-N -1 1 350.418 1.912 20 5 FDBDMM COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nncs2)cc1OC ZINC000487674353 538673182 /nfs/dbraw/zinc/67/31/82/538673182.db2.gz OVTVSOPJCCSCPK-UHFFFAOYSA-N -1 1 354.344 1.732 20 5 FDBDMM O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC1(c2nn[n-]n2)CCCC1 ZINC000465126626 538707025 /nfs/dbraw/zinc/70/70/25/538707025.db2.gz FHZMMOCTCHKWSM-UHFFFAOYSA-N -1 1 374.357 1.007 20 5 FDBDMM COc1ccccc1N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000465469391 538721240 /nfs/dbraw/zinc/72/12/40/538721240.db2.gz SIFYTGGPTDCTEU-LLVKDONJSA-N -1 1 358.354 1.713 20 5 FDBDMM COC(=O)[C@H](C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000472937375 538723669 /nfs/dbraw/zinc/72/36/69/538723669.db2.gz XQEHFHMVDDPGLF-YGRLFVJLSA-N -1 1 359.338 1.976 20 5 FDBDMM NC(=O)C1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000500060752 538874336 /nfs/dbraw/zinc/87/43/36/538874336.db2.gz RBEQFKFQVPTBCN-UHFFFAOYSA-N -1 1 361.807 1.571 20 5 FDBDMM NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000561456815 545860051 /nfs/dbraw/zinc/86/00/51/545860051.db2.gz PZBIHIQAMFNGFO-NSHDSACASA-N -1 1 364.745 1.175 20 5 FDBDMM COc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000562236309 546064282 /nfs/dbraw/zinc/06/42/82/546064282.db2.gz FKWZZCXRECLKDB-UHFFFAOYSA-N -1 1 352.372 1.865 20 5 FDBDMM C[C@@](CO)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000564799970 547043205 /nfs/dbraw/zinc/04/32/05/547043205.db2.gz GRNRQPGKXZBETC-INIZCTEOSA-N -1 1 365.411 1.509 20 5 FDBDMM COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000583339826 551337430 /nfs/dbraw/zinc/33/74/30/551337430.db2.gz FXCOWAIPCAEDFX-LLVKDONJSA-N -1 1 359.338 1.899 20 5 FDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CCN(CC(F)(F)F)CC1 ZINC000584679570 551528901 /nfs/dbraw/zinc/52/89/01/551528901.db2.gz MYUURUSZZULIFG-UHFFFAOYSA-N -1 1 368.337 1.295 20 5 FDBDMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000592075618 551936415 /nfs/dbraw/zinc/93/64/15/551936415.db2.gz NFAJLUCUAOAUFE-QMMMGPOBSA-N -1 1 350.418 1.912 20 5 FDBDMM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cn1 ZINC000594748158 552369744 /nfs/dbraw/zinc/36/97/44/552369744.db2.gz JUFWWEAXZWVVLU-UHFFFAOYSA-N -1 1 365.415 1.710 20 5 FDBDMM CN(C)C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000594779908 552381932 /nfs/dbraw/zinc/38/19/32/552381932.db2.gz UJPVIPRDTMDBIG-CYBMUJFWSA-N -1 1 368.390 1.710 20 5 FDBDMM NC(=O)CC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCC1 ZINC000595388890 552545369 /nfs/dbraw/zinc/54/53/69/552545369.db2.gz YIKNBQAZIFIISC-UHFFFAOYSA-N -1 1 356.404 1.094 20 5 FDBDMM CC(C)(C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)n1cc([N+](=O)[O-])cn1 ZINC000597610668 552811720 /nfs/dbraw/zinc/81/17/20/552811720.db2.gz MTACKAVRVPDELV-SECBINFHSA-N -1 1 350.335 1.021 20 5 FDBDMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598740200 552930299 /nfs/dbraw/zinc/93/02/99/552930299.db2.gz OYAXZWJBROJIMQ-OAHLLOKOSA-N -1 1 373.365 1.942 20 5 FDBDMM CCc1cc(=O)n2[n-]c(NC(=O)Cc3cccc([N+](=O)[O-])c3C)nc2n1 ZINC000598893568 552940219 /nfs/dbraw/zinc/94/02/19/552940219.db2.gz WCZNLINBWIPGJC-UHFFFAOYSA-N -1 1 356.342 1.378 20 5 FDBDMM COc1cc2c(cc1F)CC[C@H]2[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599299386 553019697 /nfs/dbraw/zinc/01/96/97/553019697.db2.gz FIMBMKGQGJWMDY-LLVKDONJSA-N -1 1 370.362 1.442 20 5 FDBDMM COCC1(S(=O)(=O)[N-][C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000599487062 553071097 /nfs/dbraw/zinc/07/10/97/553071097.db2.gz PBWZZNSPGVPXSV-AWEZNQCLSA-N -1 1 372.399 1.081 20 5 FDBDMM CCC[C@H](CCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600653692 553291983 /nfs/dbraw/zinc/29/19/83/553291983.db2.gz MIXFKISRBSMIPT-SNVBAGLBSA-N -1 1 362.408 1.278 20 5 FDBDMM CCO[C@@H](CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-])C1CC1 ZINC000600655142 553292255 /nfs/dbraw/zinc/29/22/55/553292255.db2.gz JMNCESJPARWEFN-LBPRGKRZSA-N -1 1 358.372 1.850 20 5 FDBDMM O=C([O-])[C@H]1c2ccoc2CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600676106 553298399 /nfs/dbraw/zinc/29/83/99/553298399.db2.gz XUKWDZFZTBTARE-MEDUHNTESA-N -1 1 362.338 1.612 20 5 FDBDMM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000608980546 554332557 /nfs/dbraw/zinc/33/25/57/554332557.db2.gz GJITWHRHCAIVNS-UHFFFAOYSA-N -1 1 350.780 1.868 20 5 FDBDMM Cc1nn(CCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000609044896 554334830 /nfs/dbraw/zinc/33/48/30/554334830.db2.gz RZGVPFIZWQLVCJ-AWEZNQCLSA-N -1 1 370.373 1.217 20 5 FDBDMM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000610263646 554483855 /nfs/dbraw/zinc/48/38/55/554483855.db2.gz NDQTURRNDHHMJI-NSHDSACASA-N -1 1 351.384 1.908 20 5 FDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCOCC1CCOCC1 ZINC000610264730 554484327 /nfs/dbraw/zinc/48/43/27/554484327.db2.gz OBJZCZQEXVEFHH-UHFFFAOYSA-N -1 1 359.404 1.101 20 5 FDBDMM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265794 554484900 /nfs/dbraw/zinc/48/49/00/554484900.db2.gz CZOZCZCGFWLIDF-VIFPVBQESA-N -1 1 353.404 1.250 20 5 FDBDMM O=C(C1CCCC1)N1CC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610770737 554560299 /nfs/dbraw/zinc/56/02/99/554560299.db2.gz OWUQFDVCVVSSSI-GFCCVEGCSA-N -1 1 368.415 1.059 20 5 FDBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccnn1C ZINC000615946595 555257518 /nfs/dbraw/zinc/25/75/18/555257518.db2.gz CORVSJWLWMUWHY-NSHDSACASA-N -1 1 353.404 1.441 20 5 FDBDMM O=C(OCCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000738221425 599137889 /nfs/dbraw/zinc/13/78/89/599137889.db2.gz INGRZXPZYOLAPD-UHFFFAOYSA-N -1 1 356.298 1.406 20 5 FDBDMM O=C(OCCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC000738221425 599137891 /nfs/dbraw/zinc/13/78/91/599137891.db2.gz INGRZXPZYOLAPD-UHFFFAOYSA-N -1 1 356.298 1.406 20 5 FDBDMM Cc1ccc(NC(=O)CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822242616 607326857 /nfs/dbraw/zinc/32/68/57/607326857.db2.gz RHNYLVHBZHSXGE-UHFFFAOYSA-N -1 1 368.357 1.553 20 5 FDBDMM Cc1ccc(NC(=O)CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822242616 607326858 /nfs/dbraw/zinc/32/68/58/607326858.db2.gz RHNYLVHBZHSXGE-UHFFFAOYSA-N -1 1 368.357 1.553 20 5 FDBDMM CC(C)N(CCC(=O)[O-])CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000736467842 600609422 /nfs/dbraw/zinc/60/94/22/600609422.db2.gz HKHPAQZAGFNUKL-UHFFFAOYSA-N -1 1 364.358 1.506 20 5 FDBDMM O=C([O-])CCN(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000833236767 600720721 /nfs/dbraw/zinc/72/07/21/600720721.db2.gz ZOPQJOBRGAVKKU-UHFFFAOYSA-N -1 1 365.342 1.416 20 5 FDBDMM CC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCN1C[C@H](C)O ZINC000829142560 600901535 /nfs/dbraw/zinc/90/15/35/600901535.db2.gz VJFGYKIFULTXFI-SMDDNHRTSA-N -1 1 365.386 1.210 20 5 FDBDMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000828495326 601376388 /nfs/dbraw/zinc/37/63/88/601376388.db2.gz VUWSMHOHTZTGEY-ZDUSSCGKSA-N -1 1 359.386 1.700 20 5 FDBDMM CCCc1[nH]nc(C(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000739376461 602419248 /nfs/dbraw/zinc/41/92/48/602419248.db2.gz PYYXBNZYKHUZLX-SNVBAGLBSA-N -1 1 353.379 1.732 20 5 FDBDMM C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C(=O)[O-] ZINC000739185268 602832964 /nfs/dbraw/zinc/83/29/64/602832964.db2.gz YOTVQWWKANWCGD-VXGBXAGGSA-N -1 1 350.375 1.996 20 5 FDBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826394839 607634389 /nfs/dbraw/zinc/63/43/89/607634389.db2.gz BADZREPHBPTQCN-UHFFFAOYSA-N -1 1 368.235 1.261 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826500263 607656692 /nfs/dbraw/zinc/65/66/92/607656692.db2.gz QPHPDGGKBLCOAO-UHFFFAOYSA-N -1 1 366.281 1.006 20 5 FDBDMM CC[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825192836 607669111 /nfs/dbraw/zinc/66/91/11/607669111.db2.gz JKJSMSNAWVPBIV-UWVGGRQHSA-N -1 1 366.403 1.632 20 5 FDBDMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820380004 606168382 /nfs/dbraw/zinc/16/83/82/606168382.db2.gz JTQSGIKPVHIPTB-QMMMGPOBSA-N -1 1 357.334 1.391 20 5 FDBDMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820380004 606168384 /nfs/dbraw/zinc/16/83/84/606168384.db2.gz JTQSGIKPVHIPTB-QMMMGPOBSA-N -1 1 357.334 1.391 20 5 FDBDMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000823290567 606531387 /nfs/dbraw/zinc/53/13/87/606531387.db2.gz YPKBFPCIZJMALA-UHFFFAOYSA-N -1 1 369.345 1.351 20 5 FDBDMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000823290567 606531390 /nfs/dbraw/zinc/53/13/90/606531390.db2.gz YPKBFPCIZJMALA-UHFFFAOYSA-N -1 1 369.345 1.351 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1-n1cccn1 ZINC000823624549 606704042 /nfs/dbraw/zinc/70/40/42/606704042.db2.gz CIFWELWXZZDPAA-UHFFFAOYSA-N -1 1 363.341 1.968 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1-n1cccn1 ZINC000823624549 606704044 /nfs/dbraw/zinc/70/40/44/606704044.db2.gz CIFWELWXZZDPAA-UHFFFAOYSA-N -1 1 363.341 1.968 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(-n2ccnc2)cc1 ZINC000823625552 606704273 /nfs/dbraw/zinc/70/42/73/606704273.db2.gz YKBXIZGLEXNEKZ-UHFFFAOYSA-N -1 1 363.341 1.968 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(-n2ccnc2)cc1 ZINC000823625552 606704274 /nfs/dbraw/zinc/70/42/74/606704274.db2.gz YKBXIZGLEXNEKZ-UHFFFAOYSA-N -1 1 363.341 1.968 20 5 FDBDMM CCCCNC(=O)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821065503 606704846 /nfs/dbraw/zinc/70/48/46/606704846.db2.gz JYIOAKAGIMGXNU-NSHDSACASA-N -1 1 374.405 1.303 20 5 FDBDMM CCCCNC(=O)[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821065503 606704848 /nfs/dbraw/zinc/70/48/48/606704848.db2.gz JYIOAKAGIMGXNU-NSHDSACASA-N -1 1 374.405 1.303 20 5 FDBDMM C[C@@H](Oc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1)C(N)=O ZINC000820536707 606711834 /nfs/dbraw/zinc/71/18/34/606711834.db2.gz WYCGLPLWTXXTJF-MRVPVSSYSA-N -1 1 371.313 1.215 20 5 FDBDMM C[C@@H](Oc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1)C(N)=O ZINC000820536707 606711836 /nfs/dbraw/zinc/71/18/36/606711836.db2.gz WYCGLPLWTXXTJF-MRVPVSSYSA-N -1 1 371.313 1.215 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@H](c2ccccc2)C1 ZINC000823620523 607166477 /nfs/dbraw/zinc/16/64/77/607166477.db2.gz MQRHXSZGYPHJIR-ZDUSSCGKSA-N -1 1 353.342 1.748 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@H](c2ccccc2)C1 ZINC000823620523 607166478 /nfs/dbraw/zinc/16/64/78/607166478.db2.gz MQRHXSZGYPHJIR-ZDUSSCGKSA-N -1 1 353.342 1.748 20 5 FDBDMM 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554595128 /nfs/dbraw/zinc/59/51/28/554595128.db2.gz KPVFECPLIWRUGY-GFCCVEGCSA-N -1 1 367.383 1.016 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2nnc(C(C)(C)C)s2)c([N+](=O)[O-])n1 ZINC000611106793 554605897 /nfs/dbraw/zinc/60/58/97/554605897.db2.gz KWQSTYWJPJIDNO-UHFFFAOYSA-N -1 1 374.448 1.439 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])n1 ZINC000611107970 554606147 /nfs/dbraw/zinc/60/61/47/554606147.db2.gz CNCIRLOWLPRIHL-JQWIXIFHSA-N -1 1 366.399 1.654 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])n1 ZINC000611109736 554606339 /nfs/dbraw/zinc/60/63/39/554606339.db2.gz DPXSBFUYYUPHDZ-MVWJERBFSA-N -1 1 356.404 1.047 20 5 FDBDMM CCOC(=O)c1nc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n[n-]1 ZINC000615919133 555253241 /nfs/dbraw/zinc/25/32/41/555253241.db2.gz BAAZFMIQBSFFDM-UHFFFAOYSA-N -1 1 370.325 1.368 20 5 FDBDMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC000615919133 555253242 /nfs/dbraw/zinc/25/32/42/555253242.db2.gz BAAZFMIQBSFFDM-UHFFFAOYSA-N -1 1 370.325 1.368 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)c([N+](=O)[O-])n1 ZINC000618594638 555654029 /nfs/dbraw/zinc/65/40/29/555654029.db2.gz RWFWOMBWVMPSIK-UHFFFAOYSA-N -1 1 351.388 1.216 20 5 FDBDMM CN(CCn1cc(Br)cn1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000291341768 568117100 /nfs/dbraw/zinc/11/71/00/568117100.db2.gz WPXHGHZLEUDCRO-UHFFFAOYSA-N -1 1 370.163 1.427 20 5 FDBDMM O=C([O-])[C@@H]1CC12CCN([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000739533340 600306906 /nfs/dbraw/zinc/30/69/06/600306906.db2.gz XLGIXEVAQPEFET-LSDHHAIUSA-N -1 1 359.382 1.887 20 5 FDBDMM O=[N+]([O-])c1ccc(N2CCCN(CC(F)(F)F)CC2)cc1-c1nnn[n-]1 ZINC000826499062 607453177 /nfs/dbraw/zinc/45/31/77/607453177.db2.gz UKNLMXBVYUZPDP-UHFFFAOYSA-N -1 1 371.323 1.849 20 5 FDBDMM O=[N+]([O-])c1ccc(N2CCCN(CC(F)(F)F)CC2)cc1-c1nn[n-]n1 ZINC000826499062 607453179 /nfs/dbraw/zinc/45/31/79/607453179.db2.gz UKNLMXBVYUZPDP-UHFFFAOYSA-N -1 1 371.323 1.849 20 5 FDBDMM C[C@@H](NC(=O)c1ccc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703408 600818813 /nfs/dbraw/zinc/81/88/13/600818813.db2.gz NBYAYTQFRHNJLZ-TZMCWYRMSA-N -1 1 374.397 1.248 20 5 FDBDMM O=[N+]([O-])c1ccc(NCCO)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826498998 607546796 /nfs/dbraw/zinc/54/67/96/607546796.db2.gz RHCIVWODYMFFHS-UHFFFAOYSA-N -1 1 356.346 1.186 20 5 FDBDMM O=[N+]([O-])c1ccc(NCCO)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826498998 607546797 /nfs/dbraw/zinc/54/67/97/607546797.db2.gz RHCIVWODYMFFHS-UHFFFAOYSA-N -1 1 356.346 1.186 20 5 FDBDMM CN(C)CC(=O)N1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830596235 602251532 /nfs/dbraw/zinc/25/15/32/602251532.db2.gz GRHVJFISTHYOGE-UHFFFAOYSA-N -1 1 370.793 1.157 20 5 FDBDMM CCNc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825481014 607594728 /nfs/dbraw/zinc/59/47/28/607594728.db2.gz QVZHQWGZFDVNPW-UHFFFAOYSA-N -1 1 369.341 1.959 20 5 FDBDMM CCNc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825481014 607594729 /nfs/dbraw/zinc/59/47/29/607594729.db2.gz QVZHQWGZFDVNPW-UHFFFAOYSA-N -1 1 369.341 1.959 20 5 FDBDMM CC1(C)CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824803541 607663659 /nfs/dbraw/zinc/66/36/59/607663659.db2.gz VXIVDZWVXHPORR-LLVKDONJSA-N -1 1 366.403 1.632 20 5 FDBDMM CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCN(C(=O)[O-])CC1 ZINC000828102479 603993517 /nfs/dbraw/zinc/99/35/17/603993517.db2.gz KRTAKXJHBATCSR-UHFFFAOYSA-N -1 1 362.386 1.558 20 5 FDBDMM CCC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCC1 ZINC000825171912 607667912 /nfs/dbraw/zinc/66/79/12/607667912.db2.gz VYDGKWMPDVLTFD-UHFFFAOYSA-N -1 1 366.403 1.634 20 5 FDBDMM Cn1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000826362331 607679175 /nfs/dbraw/zinc/67/91/75/607679175.db2.gz NWDJAAZRAVFBLT-UHFFFAOYSA-N -1 1 369.267 1.534 20 5 FDBDMM Cn1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000826362331 607679176 /nfs/dbraw/zinc/67/91/76/607679176.db2.gz NWDJAAZRAVFBLT-UHFFFAOYSA-N -1 1 369.267 1.534 20 5 FDBDMM CCCc1[nH]nc(C(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000826949422 604258714 /nfs/dbraw/zinc/25/87/14/604258714.db2.gz NDXHOOLRYULBJZ-UWVGGRQHSA-N -1 1 353.379 1.779 20 5 FDBDMM O=C([O-])N1CC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000831852381 604414905 /nfs/dbraw/zinc/41/49/05/604414905.db2.gz OZUDYYCOUKGQHW-UHFFFAOYSA-N -1 1 370.170 1.542 20 5 FDBDMM CCC[C@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000826764885 604772764 /nfs/dbraw/zinc/77/27/64/604772764.db2.gz LXOMMTBWOBLHTA-HNNXBMFYSA-N -1 1 364.402 1.848 20 5 FDBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1CCC(=O)[O-] ZINC000833622852 605277342 /nfs/dbraw/zinc/27/73/42/605277342.db2.gz OMRPOEWHIJFWIM-GFCCVEGCSA-N -1 1 364.402 1.282 20 5 FDBDMM C[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833615249 605391798 /nfs/dbraw/zinc/39/17/98/605391798.db2.gz LVEJNHKSXKUETH-LLVKDONJSA-N -1 1 371.415 1.446 20 5 FDBDMM C[C@H]1CCCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000833614644 605391908 /nfs/dbraw/zinc/39/19/08/605391908.db2.gz QVSRBJHKFMFIHV-NSHDSACASA-N -1 1 371.415 1.303 20 5 FDBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832981 605909455 /nfs/dbraw/zinc/90/94/55/605909455.db2.gz VYVCFPXAPLAFRV-IJLUTSLNSA-N -1 1 350.375 1.900 20 5 FDBDMM Cc1cc([N+](=O)[O-])ccc1N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822212880 606443959 /nfs/dbraw/zinc/44/39/59/606443959.db2.gz LLWPZVRGWKHUNW-UHFFFAOYSA-N -1 1 357.378 1.458 20 5 FDBDMM Cc1cc([N+](=O)[O-])ccc1N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822212880 606443960 /nfs/dbraw/zinc/44/39/60/606443960.db2.gz LLWPZVRGWKHUNW-UHFFFAOYSA-N -1 1 357.378 1.458 20 5 FDBDMM Cn1nccc1[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822709647 606699838 /nfs/dbraw/zinc/69/98/38/606699838.db2.gz PGALAHPYLJUSIO-SNVBAGLBSA-N -1 1 355.362 1.287 20 5 FDBDMM Cn1nccc1[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822709647 606699840 /nfs/dbraw/zinc/69/98/40/606699840.db2.gz PGALAHPYLJUSIO-SNVBAGLBSA-N -1 1 355.362 1.287 20 5 FDBDMM CCNC(=O)c1cccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821293977 606705001 /nfs/dbraw/zinc/70/50/01/606705001.db2.gz OKVMRKRFJLBTRV-UHFFFAOYSA-N -1 1 355.314 1.712 20 5 FDBDMM CCNC(=O)c1cccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821293977 606705002 /nfs/dbraw/zinc/70/50/02/606705002.db2.gz OKVMRKRFJLBTRV-UHFFFAOYSA-N -1 1 355.314 1.712 20 5 FDBDMM O=[N+]([O-])c1ccccc1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000823648405 606714725 /nfs/dbraw/zinc/71/47/25/606714725.db2.gz WHGAQIUFWBXGRR-UHFFFAOYSA-N -1 1 356.302 1.733 20 5 FDBDMM O=[N+]([O-])c1ccccc1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000823648405 606714726 /nfs/dbraw/zinc/71/47/26/606714726.db2.gz WHGAQIUFWBXGRR-UHFFFAOYSA-N -1 1 356.302 1.733 20 5 FDBDMM C[S@@](=O)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821942043 606717130 /nfs/dbraw/zinc/71/71/30/606717130.db2.gz KRQCZWKAHJRAKY-RUZDIDTESA-N -1 1 359.371 1.519 20 5 FDBDMM C[S@@](=O)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821942043 606717132 /nfs/dbraw/zinc/71/71/32/606717132.db2.gz KRQCZWKAHJRAKY-RUZDIDTESA-N -1 1 359.371 1.519 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2cccs2)CC1 ZINC000823620058 606720351 /nfs/dbraw/zinc/72/03/51/606720351.db2.gz HLPFZWIAGZPVGB-UHFFFAOYSA-N -1 1 358.387 1.558 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2cccs2)CC1 ZINC000823620058 606720353 /nfs/dbraw/zinc/72/03/53/606720353.db2.gz HLPFZWIAGZPVGB-UHFFFAOYSA-N -1 1 358.387 1.558 20 5 FDBDMM CCCN(CCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821099358 606730605 /nfs/dbraw/zinc/73/06/05/606730605.db2.gz FHZONUMBZQWEIU-UHFFFAOYSA-N -1 1 354.392 1.586 20 5 FDBDMM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820649048 606730786 /nfs/dbraw/zinc/73/07/86/606730786.db2.gz ICBPMJXTZBTSHB-NXEZZACHSA-N -1 1 366.403 1.442 20 5 FDBDMM CC[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820982040 606732354 /nfs/dbraw/zinc/73/23/54/606732354.db2.gz ZMDIBQGULIVIAC-SECBINFHSA-N -1 1 352.376 1.338 20 5 FDBDMM CN(CC(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821593932 606733104 /nfs/dbraw/zinc/73/31/04/606733104.db2.gz QRHKNIQKVUDGOA-UHFFFAOYSA-N -1 1 354.392 1.442 20 5 FDBDMM O=Cc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000823557353 607161704 /nfs/dbraw/zinc/16/17/04/607161704.db2.gz KJMZKWBRILHSQB-UHFFFAOYSA-N -1 1 357.242 1.683 20 5 FDBDMM O=Cc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000823557353 607161705 /nfs/dbraw/zinc/16/17/05/607161705.db2.gz KJMZKWBRILHSQB-UHFFFAOYSA-N -1 1 357.242 1.683 20 5 FDBDMM CN(C[C@H]1COc2ccccc2O1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821597812 607162699 /nfs/dbraw/zinc/16/26/99/607162699.db2.gz IKIVDGMFLDWUSF-JTQLQIEISA-N -1 1 369.341 1.446 20 5 FDBDMM CN(C[C@H]1COc2ccccc2O1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821597812 607162701 /nfs/dbraw/zinc/16/27/01/607162701.db2.gz IKIVDGMFLDWUSF-JTQLQIEISA-N -1 1 369.341 1.446 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ncn(-c2ccccc2)n1 ZINC000823629616 607166867 /nfs/dbraw/zinc/16/68/67/607166867.db2.gz BWZSPDCJRASEKH-UHFFFAOYSA-N -1 1 367.354 1.902 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ncn(-c2ccccc2)n1 ZINC000823629616 607166869 /nfs/dbraw/zinc/16/68/69/607166869.db2.gz BWZSPDCJRASEKH-UHFFFAOYSA-N -1 1 367.354 1.902 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCN(c2ccccn2)C1 ZINC000826497795 607810476 /nfs/dbraw/zinc/81/04/76/607810476.db2.gz VBADJABDPGYMHB-SNVBAGLBSA-N -1 1 353.346 1.256 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCN(c2ccccn2)C1 ZINC000826497795 607810477 /nfs/dbraw/zinc/81/04/77/607810477.db2.gz VBADJABDPGYMHB-SNVBAGLBSA-N -1 1 353.346 1.256 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1nnc2n1CCCC2 ZINC000826497936 608584961 /nfs/dbraw/zinc/58/49/61/608584961.db2.gz 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RBUJDQNDTFQDIK-QMMMGPOBSA-N -1 1 372.432 1.195 20 5 FDBDMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000825264506 604228384 /nfs/dbraw/zinc/22/83/84/604228384.db2.gz KXGBGNNOSJRCMC-PWSUYJOCSA-N -1 1 350.375 1.562 20 5 FDBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832979 605910048 /nfs/dbraw/zinc/91/00/48/605910048.db2.gz VYVCFPXAPLAFRV-GRYCIOLGSA-N -1 1 350.375 1.900 20 5 FDBDMM COc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821772473 606649528 /nfs/dbraw/zinc/64/95/28/606649528.db2.gz AQNSKYOBWCYBQW-UHFFFAOYSA-N -1 1 356.298 1.536 20 5 FDBDMM COc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821772473 606649529 /nfs/dbraw/zinc/64/95/29/606649529.db2.gz AQNSKYOBWCYBQW-UHFFFAOYSA-N -1 1 356.298 1.536 20 5 FDBDMM CN(C)C(=O)c1cccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821579697 606697817 /nfs/dbraw/zinc/69/78/17/606697817.db2.gz KWXYJTVBZJXXSD-UHFFFAOYSA-N -1 1 355.314 1.664 20 5 FDBDMM CN(C)C(=O)c1cccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821579697 606697818 /nfs/dbraw/zinc/69/78/18/606697818.db2.gz KWXYJTVBZJXXSD-UHFFFAOYSA-N -1 1 355.314 1.664 20 5 FDBDMM COc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(OC)c1 ZINC000821824522 606699335 /nfs/dbraw/zinc/69/93/35/606699335.db2.gz LRPILEZGTCERNU-UHFFFAOYSA-N -1 1 357.330 1.799 20 5 FDBDMM COc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(OC)c1 ZINC000821824522 606699336 /nfs/dbraw/zinc/69/93/36/606699336.db2.gz LRPILEZGTCERNU-UHFFFAOYSA-N -1 1 357.330 1.799 20 5 FDBDMM Cc1noc([C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)n1 ZINC000822528001 606701959 /nfs/dbraw/zinc/70/19/59/606701959.db2.gz NTDIVUGCUSJWRF-SECBINFHSA-N -1 1 357.334 1.245 20 5 FDBDMM Cc1noc([C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)n1 ZINC000822528001 606701961 /nfs/dbraw/zinc/70/19/61/606701961.db2.gz NTDIVUGCUSJWRF-SECBINFHSA-N -1 1 357.334 1.245 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CCN(CC(F)F)CC1 ZINC000823620722 606705153 /nfs/dbraw/zinc/70/51/53/606705153.db2.gz PCJQGXXUYGGLSY-UHFFFAOYSA-N -1 1 354.321 1.311 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CCN(CC(F)F)CC1 ZINC000823620722 606705155 /nfs/dbraw/zinc/70/51/55/606705155.db2.gz PCJQGXXUYGGLSY-UHFFFAOYSA-N -1 1 354.321 1.311 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(OCC2CC2)nc1 ZINC000823624934 606706113 /nfs/dbraw/zinc/70/61/13/606706113.db2.gz LIAMYUMWVOCALP-UHFFFAOYSA-N -1 1 368.357 1.966 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(OCC2CC2)nc1 ZINC000823624934 606706115 /nfs/dbraw/zinc/70/61/15/606706115.db2.gz LIAMYUMWVOCALP-UHFFFAOYSA-N -1 1 368.357 1.966 20 5 FDBDMM CC1(C2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)OCCO1 ZINC000820612873 606719498 /nfs/dbraw/zinc/71/94/98/606719498.db2.gz MGWLBOXYCNPLAP-UHFFFAOYSA-N -1 1 361.362 1.149 20 5 FDBDMM CC1(C2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)OCCO1 ZINC000820612873 606719499 /nfs/dbraw/zinc/71/94/99/606719499.db2.gz MGWLBOXYCNPLAP-UHFFFAOYSA-N -1 1 361.362 1.149 20 5 FDBDMM CN(C1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821592865 606730952 /nfs/dbraw/zinc/73/09/52/606730952.db2.gz ZGESIRBGCMMNBJ-UHFFFAOYSA-N -1 1 366.403 1.728 20 5 FDBDMM C[C@H]1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820659192 606734039 /nfs/dbraw/zinc/73/40/39/606734039.db2.gz XDMGWJVOSHQHOC-IUCAKERBSA-N -1 1 352.376 1.194 20 5 FDBDMM O=[N+]([O-])c1ccccc1NCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000823646892 607165674 /nfs/dbraw/zinc/16/56/74/607165674.db2.gz CHGUQZBQCPWFTL-UHFFFAOYSA-N -1 1 371.317 1.602 20 5 FDBDMM O=[N+]([O-])c1ccccc1NCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000823646892 607165676 /nfs/dbraw/zinc/16/56/76/607165676.db2.gz CHGUQZBQCPWFTL-UHFFFAOYSA-N -1 1 371.317 1.602 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(-n2ccnc2)nc1 ZINC000823625386 607166495 /nfs/dbraw/zinc/16/64/95/607166495.db2.gz TZUTXPXVGBLTSO-UHFFFAOYSA-N -1 1 364.329 1.363 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(-n2ccnc2)nc1 ZINC000823625386 607166496 /nfs/dbraw/zinc/16/64/96/607166496.db2.gz TZUTXPXVGBLTSO-UHFFFAOYSA-N -1 1 364.329 1.363 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826499838 607868245 /nfs/dbraw/zinc/86/82/45/607868245.db2.gz ZXAANGFQVKVOLR-UHFFFAOYSA-N -1 1 365.302 1.682 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826499838 607868246 /nfs/dbraw/zinc/86/82/46/607868246.db2.gz ZXAANGFQVKVOLR-UHFFFAOYSA-N -1 1 365.302 1.682 20 5 FDBDMM C[C@](O)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000824679689 607967956 /nfs/dbraw/zinc/96/79/56/607967956.db2.gz VFGAXVXTGQXBHD-HNNXBMFYSA-N -1 1 359.321 1.629 20 5 FDBDMM C[C@](O)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000824679689 607967957 /nfs/dbraw/zinc/96/79/57/607967957.db2.gz VFGAXVXTGQXBHD-HNNXBMFYSA-N -1 1 359.321 1.629 20 5 FDBDMM COc1ccc(COCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000826207045 608238118 /nfs/dbraw/zinc/23/81/18/608238118.db2.gz XUWMXCABPJXNRI-UHFFFAOYSA-N -1 1 371.357 1.807 20 5 FDBDMM COc1ccc(COCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000826207045 608238120 /nfs/dbraw/zinc/23/81/20/608238120.db2.gz XUWMXCABPJXNRI-UHFFFAOYSA-N -1 1 371.357 1.807 20 5 FDBDMM COc1cc(CCNc2ccc(-c3nnn[n-]3)nn2)c([N+](=O)[O-])cc1OC ZINC000826179047 608393197 /nfs/dbraw/zinc/39/31/97/608393197.db2.gz WWUOGTXXWDJLRW-UHFFFAOYSA-N -1 1 372.345 1.237 20 5 FDBDMM COc1cc(CCNc2ccc(-c3nn[n-]n3)nn2)c([N+](=O)[O-])cc1OC ZINC000826179047 608393199 /nfs/dbraw/zinc/39/31/99/608393199.db2.gz WWUOGTXXWDJLRW-UHFFFAOYSA-N -1 1 372.345 1.237 20 5 FDBDMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000826280983 608541665 /nfs/dbraw/zinc/54/16/65/608541665.db2.gz YWDUNWOEJOYCFZ-UHFFFAOYSA-N -1 1 366.385 1.805 20 5 FDBDMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000826280983 608541666 /nfs/dbraw/zinc/54/16/66/608541666.db2.gz YWDUNWOEJOYCFZ-UHFFFAOYSA-N -1 1 366.385 1.805 20 5 FDBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000132271823 671811372 /nfs/dbraw/zinc/81/13/72/671811372.db2.gz AIPGEJQBSSMEMK-UHFFFAOYSA-N -1 1 353.331 1.942 20 5 FDBDMM CO[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289510468 676147364 /nfs/dbraw/zinc/14/73/64/676147364.db2.gz KUVQCTKHHZBPLU-WPRPVWTQSA-N -1 1 354.743 1.079 20 5 FDBDMM COC(=O)CC1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000280594159 675438391 /nfs/dbraw/zinc/43/83/91/675438391.db2.gz XFMHCVTXWRKSTL-UHFFFAOYSA-N -1 1 360.363 1.888 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000281688400 675545607 /nfs/dbraw/zinc/54/56/07/675545607.db2.gz YTDIPMQNBFZBOF-VIFPVBQESA-N -1 1 361.807 1.537 20 5 FDBDMM CC(C)c1nnc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000295220901 676402683 /nfs/dbraw/zinc/40/26/83/676402683.db2.gz HLEFPUNQABETFX-UHFFFAOYSA-N -1 1 359.795 1.968 20 5 FDBDMM CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000299347744 676529553 /nfs/dbraw/zinc/52/95/53/676529553.db2.gz QLBMKLVLNIGMLI-UHFFFAOYSA-N -1 1 363.367 1.537 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cnccc2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000416599174 679687661 /nfs/dbraw/zinc/68/76/61/679687661.db2.gz UHYCMOBMBNIFFN-UHFFFAOYSA-N -1 1 367.431 1.982 20 5 FDBDMM Cc1nc(CO[C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cs1 ZINC000365557886 677363833 /nfs/dbraw/zinc/36/38/33/677363833.db2.gz BAYSPLKQSFRWEN-LBPRGKRZSA-N -1 1 364.383 1.892 20 5 FDBDMM CSc1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000370852166 677620523 /nfs/dbraw/zinc/62/05/23/677620523.db2.gz LWHJWFSUBPHJAE-JTQLQIEISA-N -1 1 350.360 1.044 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000376148957 678231585 /nfs/dbraw/zinc/23/15/85/678231585.db2.gz KEISHWMOBPHOHU-QMTHXVAHSA-N -1 1 360.363 1.350 20 5 FDBDMM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000474392396 685404545 /nfs/dbraw/zinc/40/45/45/685404545.db2.gz FRNHZCIERXDDCH-RNCFNFMXSA-N -1 1 364.445 1.501 20 5 FDBDMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC000432209297 681147835 /nfs/dbraw/zinc/14/78/35/681147835.db2.gz ZNBXQPYBUZZTQL-UHFFFAOYSA-N -1 1 353.312 1.497 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCCN(C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000435802986 681636775 /nfs/dbraw/zinc/63/67/75/681636775.db2.gz AAHDHSHDUFQDGU-UHFFFAOYSA-N -1 1 367.431 1.616 20 5 FDBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000438890029 681887902 /nfs/dbraw/zinc/88/79/02/681887902.db2.gz JXDBPJMLMNRNEC-UHFFFAOYSA-N -1 1 372.428 1.764 20 5 FDBDMM COC(=O)C1(CS(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC000461333795 684571722 /nfs/dbraw/zinc/57/17/22/684571722.db2.gz OFMMQDCGLKVWFO-UHFFFAOYSA-N -1 1 372.355 1.378 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000479333071 686012729 /nfs/dbraw/zinc/01/27/29/686012729.db2.gz HJXXHPYTFISSSX-JQWIXIFHSA-N -1 1 360.436 1.683 20 5 FDBDMM 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1 364.305 1.826 20 5 FDBDMM O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000127113802 525384658 /nfs/dbraw/zinc/38/46/58/525384658.db2.gz OSRRNMIGGZDDBI-HUUCEWRRSA-N -1 1 371.393 1.666 20 5 FDBDMM Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000181089855 525804900 /nfs/dbraw/zinc/80/49/00/525804900.db2.gz KQKDKAPMBOHRIG-UHFFFAOYSA-N -1 1 374.382 1.988 20 5 FDBDMM O=C1Cc2ccccc2N1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000171109992 525851933 /nfs/dbraw/zinc/85/19/33/525851933.db2.gz JQGWORXGFFEMJZ-UHFFFAOYSA-N -1 1 367.408 1.524 20 5 FDBDMM O=C(Nc1cc(Br)c[nH]c1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193464404 537248780 /nfs/dbraw/zinc/24/87/80/537248780.db2.gz NMEJSWIZTIKTEF-UHFFFAOYSA-N -1 1 355.104 1.399 20 5 FDBDMM C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000285811376 537305408 /nfs/dbraw/zinc/30/54/08/537305408.db2.gz RQTDOISBSUKYJK-HNNXBMFYSA-N -1 1 356.382 1.694 20 5 FDBDMM O=c1c2ccccc2ncn1CCc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000350754771 537527514 /nfs/dbraw/zinc/52/75/14/537527514.db2.gz AEWIYZOJMKPZKV-UHFFFAOYSA-N -1 1 352.310 1.926 20 5 FDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000365655461 537564420 /nfs/dbraw/zinc/56/44/20/537564420.db2.gz GESMOTOWPWBRMM-UHFFFAOYSA-N -1 1 374.328 1.319 20 5 FDBDMM CS(=O)(=O)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289577115 537578429 /nfs/dbraw/zinc/57/84/29/537578429.db2.gz USLVPLNCBJXVCO-UHFFFAOYSA-N -1 1 374.799 1.100 20 5 FDBDMM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)cn1 ZINC000371021217 538097130 /nfs/dbraw/zinc/09/71/30/538097130.db2.gz CUBZSUYXDQWEGM-SNVBAGLBSA-N -1 1 369.378 1.025 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](O)COCC1CC1 ZINC000443223966 538392116 /nfs/dbraw/zinc/39/21/16/538392116.db2.gz HWORQMVGSGZYBV-JTQLQIEISA-N -1 1 364.807 1.314 20 5 FDBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000460417575 538483019 /nfs/dbraw/zinc/48/30/19/538483019.db2.gz FGISFBWYTKBFCN-UHFFFAOYSA-N -1 1 374.382 1.895 20 5 FDBDMM O=C(NCc1cccc(N2CCCC2=O)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484235763 538764446 /nfs/dbraw/zinc/76/44/46/538764446.db2.gz NEQWGEJFBBDWHR-UHFFFAOYSA-N -1 1 356.338 1.752 20 5 FDBDMM O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469741598 538813237 /nfs/dbraw/zinc/81/32/37/538813237.db2.gz JIQKQXVITQOTQI-MRXNPFEDSA-N -1 1 371.393 1.449 20 5 FDBDMM C[C@H](CN1CCN(C)CC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566268623 547689073 /nfs/dbraw/zinc/68/90/73/547689073.db2.gz CZORZNYOFOOOAZ-SNVBAGLBSA-N -1 1 356.810 1.320 20 5 FDBDMM COCc1nc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000566884390 547917705 /nfs/dbraw/zinc/91/77/05/547917705.db2.gz IDSONCSWXQRZAV-UHFFFAOYSA-N -1 1 373.412 1.685 20 5 FDBDMM NC(=O)[C@H]1CCCN1CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000569812627 549057719 /nfs/dbraw/zinc/05/77/19/549057719.db2.gz KSEVUXQZBDUSRL-LLVKDONJSA-N 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Cc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)nc2n1 ZINC000589828579 551746956 /nfs/dbraw/zinc/74/69/56/551746956.db2.gz HBUYDVPXBJTLBT-SECBINFHSA-N -1 1 374.382 1.754 20 5 FDBDMM Cc1[n-][nH]c(=O)c1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000590398888 551780204 /nfs/dbraw/zinc/78/02/04/551780204.db2.gz UPHFGXJQPOIXGG-UHFFFAOYSA-N -1 1 361.314 1.659 20 5 FDBDMM CN1CCN(c2ncccc2CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000592971003 552050638 /nfs/dbraw/zinc/05/06/38/552050638.db2.gz SSYAYQZTZFSQDU-UHFFFAOYSA-N -1 1 372.385 1.447 20 5 FDBDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000593551027 552130547 /nfs/dbraw/zinc/13/05/47/552130547.db2.gz QKEAXPZRLOLYEA-LBPRGKRZSA-N -1 1 355.372 1.811 20 5 FDBDMM Cn1c(=O)ccc2c1CCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000593670708 552169948 /nfs/dbraw/zinc/16/99/48/552169948.db2.gz LGLBXJUDMHJVIQ-JTQLQIEISA-N -1 1 369.424 1.711 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)c([N+](=O)[O-])n1 ZINC000594472934 552319103 /nfs/dbraw/zinc/31/91/03/552319103.db2.gz HZYFFJQGDMYICO-AAEUAGOBSA-N -1 1 358.420 1.437 20 5 FDBDMM C[C@@H](O)C1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000595361793 552537017 /nfs/dbraw/zinc/53/70/17/552537017.db2.gz RGMHYPJGCHLANP-SSDOTTSWSA-N -1 1 365.205 1.549 20 5 FDBDMM COC(=O)[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000598174652 552872412 /nfs/dbraw/zinc/87/24/12/552872412.db2.gz GLISZMKDQCHROL-UPJWGTAASA-N -1 1 363.370 1.889 20 5 FDBDMM CCOCc1ccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599211572 552987435 /nfs/dbraw/zinc/98/74/35/552987435.db2.gz XDMHHMKVQDYPEE-UHFFFAOYSA-N -1 1 354.388 1.343 20 5 FDBDMM CCCCOc1cccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000599220055 552991441 /nfs/dbraw/zinc/99/14/41/552991441.db2.gz LHPDKCCRNUVTEM-UHFFFAOYSA-N -1 1 368.415 1.986 20 5 FDBDMM CSCc1ccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599317585 553024984 /nfs/dbraw/zinc/02/49/84/553024984.db2.gz SBDUJLKPBCIFNI-UHFFFAOYSA-N -1 1 356.429 1.670 20 5 FDBDMM C[C@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])COc2ccccc2O1 ZINC000599365336 553037126 /nfs/dbraw/zinc/03/71/26/553037126.db2.gz AIOGGWZKTIMKBE-HNNXBMFYSA-N -1 1 365.367 1.498 20 5 FDBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(CC(=O)[O-])CCCCC2)n1 ZINC000600650651 553291544 /nfs/dbraw/zinc/29/15/44/553291544.db2.gz AKVMYIATZSFRHH-UHFFFAOYSA-N -1 1 360.392 1.032 20 5 FDBDMM O=C([O-])[C@H]1c2ccoc2CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600676103 553298215 /nfs/dbraw/zinc/29/82/15/553298215.db2.gz XUKWDZFZTBTARE-BDJLRTHQSA-N -1 1 362.338 1.612 20 5 FDBDMM COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000600876190 553323532 /nfs/dbraw/zinc/32/35/32/553323532.db2.gz TZEIOUNWZSZDMH-UHFFFAOYSA-N -1 1 351.359 1.224 20 5 FDBDMM O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600878984 553324235 /nfs/dbraw/zinc/32/42/35/553324235.db2.gz ZKJRZFDKIKFJFQ-TVQRCGJNSA-N -1 1 362.342 1.471 20 5 FDBDMM Cc1cccc(C)c1OC[C@H](O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604431771 553877135 /nfs/dbraw/zinc/87/71/35/553877135.db2.gz HLIFSXORTOPRPA-CYBMUJFWSA-N -1 1 361.354 1.482 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOC[C@H]1CCOC1 ZINC000609465629 554379843 /nfs/dbraw/zinc/37/98/43/554379843.db2.gz LSTOCRZPZYUVLF-JTQLQIEISA-N -1 1 364.807 1.580 20 5 FDBDMM COC(=O)CCc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000609871041 554431494 /nfs/dbraw/zinc/43/14/94/554431494.db2.gz DLXYHHIMIWTHGY-UHFFFAOYSA-N -1 1 354.319 1.943 20 5 FDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)nc1 ZINC000610212174 554474198 /nfs/dbraw/zinc/47/41/98/554474198.db2.gz NJAVWQQGJVHPNG-UHFFFAOYSA-N -1 1 363.399 1.464 20 5 FDBDMM Cc1cccc(C)c1OC[C@H](O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618360813 555624882 /nfs/dbraw/zinc/62/48/82/555624882.db2.gz FDOFZPMDWNPEMG-CYBMUJFWSA-N -1 1 361.354 1.482 20 5 FDBDMM COC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000482131011 568269679 /nfs/dbraw/zinc/26/96/79/568269679.db2.gz HYKIYGIEFRIZTL-UHFFFAOYSA-N -1 1 360.326 1.007 20 5 FDBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737967063 599252217 /nfs/dbraw/zinc/25/22/17/599252217.db2.gz UBSNRISLIOFIPO-UHFFFAOYSA-N -1 1 359.733 1.426 20 5 FDBDMM CS(=O)(=O)CC1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821927115 607348141 /nfs/dbraw/zinc/34/81/41/607348141.db2.gz PSGWLELYCPVITP-UHFFFAOYSA-N -1 1 352.376 1.012 20 5 FDBDMM CN(C)C(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736753160 598499402 /nfs/dbraw/zinc/49/94/02/598499402.db2.gz HQTWNNQYVSIHHK-UHFFFAOYSA-N -1 1 355.314 1.664 20 5 FDBDMM CN(C)C(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736753160 598499403 /nfs/dbraw/zinc/49/94/03/598499403.db2.gz HQTWNNQYVSIHHK-UHFFFAOYSA-N -1 1 355.314 1.664 20 5 FDBDMM CCNC(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736578046 598500561 /nfs/dbraw/zinc/50/05/61/598500561.db2.gz PVXHFPUQWKDYLI-UHFFFAOYSA-N -1 1 355.314 1.712 20 5 FDBDMM CCNC(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736578046 598500563 /nfs/dbraw/zinc/50/05/63/598500563.db2.gz PVXHFPUQWKDYLI-UHFFFAOYSA-N -1 1 355.314 1.712 20 5 FDBDMM COC(=O)Cc1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736931289 598580431 /nfs/dbraw/zinc/58/04/31/598580431.db2.gz TZWGNFFTAIKHMG-UHFFFAOYSA-N -1 1 356.298 1.678 20 5 FDBDMM COC(=O)Cc1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736931289 598580433 /nfs/dbraw/zinc/58/04/33/598580433.db2.gz TZWGNFFTAIKHMG-UHFFFAOYSA-N -1 1 356.298 1.678 20 5 FDBDMM Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1[N+](=O)[O-] ZINC000739202292 600231565 /nfs/dbraw/zinc/23/15/65/600231565.db2.gz BXNNPXYQGXPSFK-UHFFFAOYSA-N -1 1 373.293 1.954 20 5 FDBDMM O=C([O-])[C@H]1CC12CCN([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000739533335 600307051 /nfs/dbraw/zinc/30/70/51/600307051.db2.gz XLGIXEVAQPEFET-CABCVRRESA-N -1 1 359.382 1.887 20 5 FDBDMM Cc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000832945501 601123763 /nfs/dbraw/zinc/12/37/63/601123763.db2.gz FSNFVDDXTXVAMO-LBPRGKRZSA-N -1 1 350.375 1.916 20 5 FDBDMM C[C@@H](C(=O)[O-])[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000826061346 601225588 /nfs/dbraw/zinc/22/55/88/601225588.db2.gz LRXUVPBZQSLFRW-MFKMUULPSA-N -1 1 365.367 1.730 20 5 FDBDMM C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739030001 601871343 /nfs/dbraw/zinc/87/13/43/601871343.db2.gz ITDSTPBMEMHNIO-VHSXEESVSA-N -1 1 361.358 1.979 20 5 FDBDMM CCc1[nH]nc(C(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000739539666 602419090 /nfs/dbraw/zinc/41/90/90/602419090.db2.gz LVEJJPAKAAOKFI-GFCCVEGCSA-N -1 1 365.390 1.875 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC=CCC2)c1-c1nn[n-]n1 ZINC000826499921 607599908 /nfs/dbraw/zinc/59/99/08/607599908.db2.gz DYOCABNIKUNWJF-JTQLQIEISA-N -1 1 364.387 1.410 20 5 FDBDMM CN(CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000825896982 607610489 /nfs/dbraw/zinc/61/04/89/607610489.db2.gz AHJCABIAUSIOPF-UHFFFAOYSA-N -1 1 369.341 1.350 20 5 FDBDMM CN(CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000825896982 607610491 /nfs/dbraw/zinc/61/04/91/607610491.db2.gz AHJCABIAUSIOPF-UHFFFAOYSA-N -1 1 369.341 1.350 20 5 FDBDMM C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(C)(C)C ZINC000824428161 607616142 /nfs/dbraw/zinc/61/61/42/607616142.db2.gz QLGYJOGSJABSEY-VIFPVBQESA-N -1 1 368.419 1.735 20 5 FDBDMM O=C([O-])N[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000740596523 604429470 /nfs/dbraw/zinc/42/94/70/604429470.db2.gz MRVLNFHNWULWFQ-SNVBAGLBSA-N -1 1 350.331 1.235 20 5 FDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000833624353 605158841 /nfs/dbraw/zinc/15/88/41/605158841.db2.gz UMEUJUWTWZBMMR-ZDUSSCGKSA-N -1 1 363.414 1.880 20 5 FDBDMM COc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000833727332 605166220 /nfs/dbraw/zinc/16/62/20/605166220.db2.gz WFFBHJGPTRLHTK-NSHDSACASA-N -1 1 351.359 1.224 20 5 FDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000833627297 605169406 /nfs/dbraw/zinc/16/94/06/605169406.db2.gz WPBHRRFAUQQCOP-LBPRGKRZSA-N -1 1 372.381 1.764 20 5 FDBDMM O=[N+]([O-])c1cc(N2CCN(c3ccc(O)cc3)CC2)ccc1-c1nn[n-]n1 ZINC000823634521 606644731 /nfs/dbraw/zinc/64/47/31/606644731.db2.gz JJARAQHIOPMKDE-UHFFFAOYSA-N -1 1 367.369 1.807 20 5 FDBDMM Cc1nsc(N2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)n1 ZINC000822535167 606645676 /nfs/dbraw/zinc/64/56/76/606645676.db2.gz IMZHDZZYFFGPKB-UHFFFAOYSA-N -1 1 373.402 1.261 20 5 FDBDMM CCOC(=O)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821343621 606701310 /nfs/dbraw/zinc/70/13/10/606701310.db2.gz QTTHUSUAHSJKRP-UHFFFAOYSA-N -1 1 369.341 1.959 20 5 FDBDMM CCOC(=O)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821343621 606701311 /nfs/dbraw/zinc/70/13/11/606701311.db2.gz QTTHUSUAHSJKRP-UHFFFAOYSA-N -1 1 369.341 1.959 20 5 FDBDMM Cn1c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000822595618 606711031 /nfs/dbraw/zinc/71/10/31/606711031.db2.gz ARJAIIFQYBNUKN-UHFFFAOYSA-N -1 1 369.320 1.808 20 5 FDBDMM Cn1c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000822595618 606711033 /nfs/dbraw/zinc/71/10/33/606711033.db2.gz ARJAIIFQYBNUKN-UHFFFAOYSA-N -1 1 369.320 1.808 20 5 FDBDMM CCOC(=O)c1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1C ZINC000821338305 606720534 /nfs/dbraw/zinc/72/05/34/606720534.db2.gz WVBKQWYNUYVMCS-UHFFFAOYSA-N -1 1 358.318 1.429 20 5 FDBDMM CCOC(=O)c1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1C ZINC000821338305 606720535 /nfs/dbraw/zinc/72/05/35/606720535.db2.gz WVBKQWYNUYVMCS-UHFFFAOYSA-N -1 1 358.318 1.429 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](Oc2ccccn2)C1 ZINC000823620398 606879239 /nfs/dbraw/zinc/87/92/39/606879239.db2.gz KQNUOOHSCCWYFB-JTQLQIEISA-N -1 1 354.330 1.223 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](Oc2ccccn2)C1 ZINC000823620398 606879241 /nfs/dbraw/zinc/87/92/41/606879241.db2.gz KQNUOOHSCCWYFB-JTQLQIEISA-N -1 1 354.330 1.223 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc2c(c1)OCCO2 ZINC000823624752 607163642 /nfs/dbraw/zinc/16/36/42/607163642.db2.gz IGSYWLCPISQSJI-UHFFFAOYSA-N -1 1 369.341 1.596 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc2c(c1)OCCO2 ZINC000823624752 607163644 /nfs/dbraw/zinc/16/36/44/607163644.db2.gz IGSYWLCPISQSJI-UHFFFAOYSA-N -1 1 369.341 1.596 20 5 FDBDMM Cc1cccc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1 ZINC000822308522 607164769 /nfs/dbraw/zinc/16/47/69/607164769.db2.gz GLXWBCYDWNKHDA-UHFFFAOYSA-N -1 1 366.385 1.805 20 5 FDBDMM Cc1cccc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1 ZINC000822308522 607164770 /nfs/dbraw/zinc/16/47/70/607164770.db2.gz GLXWBCYDWNKHDA-UHFFFAOYSA-N -1 1 366.385 1.805 20 5 FDBDMM Cc1ccc(OCCN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822263766 607164858 /nfs/dbraw/zinc/16/48/58/607164858.db2.gz YNJJBLCGADLZQB-UHFFFAOYSA-N -1 1 355.358 1.994 20 5 FDBDMM Cc1ccc(OCCN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822263766 607164859 /nfs/dbraw/zinc/16/48/59/607164859.db2.gz YNJJBLCGADLZQB-UHFFFAOYSA-N -1 1 355.358 1.994 20 5 FDBDMM CC(C)c1nc2n(n1)C[C@@H](Nc1ccc([N+](=O)[O-])c(-c3nnn[n-]3)c1)CC2 ZINC000824364674 607840868 /nfs/dbraw/zinc/84/08/68/607840868.db2.gz PMVKEZUEWWHWMV-NSHDSACASA-N -1 1 369.389 1.917 20 5 FDBDMM CC(C)c1nc2n(n1)C[C@@H](Nc1ccc([N+](=O)[O-])c(-c3nn[n-]n3)c1)CC2 ZINC000824364674 607840869 /nfs/dbraw/zinc/84/08/69/607840869.db2.gz PMVKEZUEWWHWMV-NSHDSACASA-N -1 1 369.389 1.917 20 5 FDBDMM O=[N+]([O-])c1cc(N2CCC[C@H](Cn3cncn3)C2)ccc1-c1nn[n-]n1 ZINC000826498044 607842434 /nfs/dbraw/zinc/84/24/34/607842434.db2.gz FILZAVJXPXGBIU-NSHDSACASA-N -1 1 355.362 1.283 20 5 FDBDMM C[C@@](O)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000824679690 607967942 /nfs/dbraw/zinc/96/79/42/607967942.db2.gz VFGAXVXTGQXBHD-OAHLLOKOSA-N -1 1 359.321 1.629 20 5 FDBDMM C[C@@](O)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000824679690 607967943 /nfs/dbraw/zinc/96/79/43/607967943.db2.gz VFGAXVXTGQXBHD-OAHLLOKOSA-N -1 1 359.321 1.629 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000826497255 609169862 /nfs/dbraw/zinc/16/98/62/609169862.db2.gz ZYLSSOKHPUCSSY-MRXNPFEDSA-N -1 1 371.332 1.407 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000826497255 609169863 /nfs/dbraw/zinc/16/98/63/609169863.db2.gz ZYLSSOKHPUCSSY-MRXNPFEDSA-N -1 1 371.332 1.407 20 5 FDBDMM COc1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC000826205969 609621677 /nfs/dbraw/zinc/62/16/77/609621677.db2.gz WNHFGLRYGUHHFB-UHFFFAOYSA-N -1 1 371.309 1.846 20 5 FDBDMM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277688616 675002718 /nfs/dbraw/zinc/00/27/18/675002718.db2.gz JPCMASHWTRLUTR-LLVKDONJSA-N -1 1 350.375 1.464 20 5 FDBDMM CCOC1CC(O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000277799512 675043678 /nfs/dbraw/zinc/04/36/78/675043678.db2.gz XLOGQHDTHQUPET-UHFFFAOYSA-N -1 1 364.807 1.457 20 5 FDBDMM CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000278075140 675089020 /nfs/dbraw/zinc/08/90/20/675089020.db2.gz GQTUPVOUUSLMSA-JTQLQIEISA-N -1 1 352.347 1.435 20 5 FDBDMM CCc1[nH]nc(C(=O)[N-]n2cnc3sc(C)c(C)c3c2=O)c1[N+](=O)[O-] ZINC000278093494 675092024 /nfs/dbraw/zinc/09/20/24/675092024.db2.gz VSVDURYVKMTQCR-UHFFFAOYSA-N -1 1 362.371 1.652 20 5 FDBDMM CC(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])=C1C(=O)[N-]C(=S)NC1=O ZINC000009779894 670579830 /nfs/dbraw/zinc/57/98/30/670579830.db2.gz UVUKJOVHYFIOJY-UHFFFAOYSA-N -1 1 374.300 1.830 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[S@@](=O)Cc2ccccc2)s1 ZINC000116898231 671660050 /nfs/dbraw/zinc/66/00/50/671660050.db2.gz OMOBZWCOMZHLDA-QFIPXVFZSA-N -1 1 374.465 1.884 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1F ZINC000159109675 671987582 /nfs/dbraw/zinc/98/75/82/671987582.db2.gz JZQVTULHRRGJNZ-GFCCVEGCSA-N -1 1 358.322 1.885 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000195204542 672400223 /nfs/dbraw/zinc/40/02/23/672400223.db2.gz SPBABRKXTVXBDT-VIFPVBQESA-N -1 1 371.346 1.310 20 5 FDBDMM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000228103436 672414683 /nfs/dbraw/zinc/41/46/83/672414683.db2.gz DHGXTMGCNCVSLM-HTQZYQBOSA-N -1 1 367.221 1.795 20 5 FDBDMM C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000228103457 672414791 /nfs/dbraw/zinc/41/47/91/672414791.db2.gz DHGXTMGCNCVSLM-YUMQZZPRSA-N -1 1 367.221 1.795 20 5 FDBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1 ZINC000279557234 675312647 /nfs/dbraw/zinc/31/26/47/675312647.db2.gz XFTLYIPEWGNYLY-UHFFFAOYSA-N -1 1 366.277 1.616 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccccc3[C@@H]2O)s1 ZINC000377346463 678524393 /nfs/dbraw/zinc/52/43/93/678524393.db2.gz NXGBRXWGKNUDOL-ZANVPECISA-N -1 1 356.381 1.429 20 5 FDBDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000474475911 685414071 /nfs/dbraw/zinc/41/40/71/685414071.db2.gz JYWJWUZZFSDJOI-UHFFFAOYSA-N -1 1 363.399 1.963 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOC2CCOCC2)s1 ZINC000462317138 684628540 /nfs/dbraw/zinc/62/85/40/684628540.db2.gz LLLVKMUIKTYNSA-UHFFFAOYSA-N -1 1 350.418 1.520 20 5 FDBDMM C[C@H](CN(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000478602780 685913608 /nfs/dbraw/zinc/91/36/08/685913608.db2.gz OCKRLYZEQMAITI-SSDOTTSWSA-N -1 1 356.289 1.585 20 5 FDBDMM COC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(F)(F)F ZINC000479151630 686000185 /nfs/dbraw/zinc/00/01/85/686000185.db2.gz OXCVJZXLSASKBA-LLVKDONJSA-N -1 1 372.321 1.849 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])n1 ZINC000480848498 686237220 /nfs/dbraw/zinc/23/72/20/686237220.db2.gz CVBPJTVHDJOTLI-LBPRGKRZSA-N -1 1 366.399 1.873 20 5 FDBDMM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CN1C1CCCCC1 ZINC000481064178 686287866 /nfs/dbraw/zinc/28/78/66/686287866.db2.gz 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PYPDUNPRWTTXAY-QMMMGPOBSA-N -1 1 355.388 1.664 20 5 FDBDMM COC(=O)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000600406321 553262593 /nfs/dbraw/zinc/26/25/93/553262593.db2.gz LSMOSJYWRFXSNU-GFCCVEGCSA-N -1 1 351.359 1.795 20 5 FDBDMM CNc1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000600868601 553322785 /nfs/dbraw/zinc/32/27/85/553322785.db2.gz IDJPSTLTOIFGHS-LLVKDONJSA-N -1 1 350.375 1.258 20 5 FDBDMM COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n[nH]2)cc1OC ZINC000609879612 554433170 /nfs/dbraw/zinc/43/31/70/554433170.db2.gz JHOUTTLAMCCFJN-UHFFFAOYSA-N -1 1 358.314 1.978 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000611106053 554605536 /nfs/dbraw/zinc/60/55/36/554605536.db2.gz RZXOMBIPRUXXNB-LBPRGKRZSA-N -1 1 360.436 1.421 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2F)c([N+](=O)[O-])n1 ZINC000611106424 554605598 /nfs/dbraw/zinc/60/55/98/554605598.db2.gz CRSFXSXLCJDYDF-SNVBAGLBSA-N -1 1 372.378 1.696 20 5 FDBDMM CCOc1cccc(CC[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])n1 ZINC000611107319 554605860 /nfs/dbraw/zinc/60/58/60/554605860.db2.gz JAAKAMVFFOXDLL-UHFFFAOYSA-N -1 1 369.403 1.126 20 5 FDBDMM O=C([N-]c1nn2cnnc2s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611521692 554640860 /nfs/dbraw/zinc/64/08/60/554640860.db2.gz CYTGSDFRJBUSMU-UHFFFAOYSA-N -1 1 356.270 1.948 20 5 FDBDMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611521851 554641144 /nfs/dbraw/zinc/64/11/44/554641144.db2.gz FIYJHIAUJBYSLH-ZDUSSCGKSA-N -1 1 368.309 1.356 20 5 FDBDMM CCOC(=O)c1nc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[n-]1 ZINC000615919048 555253247 /nfs/dbraw/zinc/25/32/47/555253247.db2.gz QCBVNNGYZPQPKS-UHFFFAOYSA-N -1 1 353.722 1.473 20 5 FDBDMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000615919048 555253249 /nfs/dbraw/zinc/25/32/49/555253249.db2.gz QCBVNNGYZPQPKS-UHFFFAOYSA-N -1 1 353.722 1.473 20 5 FDBDMM CC(C)(C)CC(=O)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000618348046 555620959 /nfs/dbraw/zinc/62/09/59/555620959.db2.gz FIDXIOBFDLDQAQ-UHFFFAOYSA-N -1 1 350.375 1.416 20 5 FDBDMM COC(=O)C1(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])CCC1 ZINC000291001084 567944932 /nfs/dbraw/zinc/94/49/32/567944932.db2.gz SWNILBCMFHCFKM-UHFFFAOYSA-N -1 1 372.355 1.378 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(c3cccnn3)CC2)s1 ZINC000365232191 568343867 /nfs/dbraw/zinc/34/38/67/568343867.db2.gz PVAXBOXGQNLCFI-UHFFFAOYSA-N -1 1 369.428 1.394 20 5 FDBDMM O=C(OCCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738223617 599144329 /nfs/dbraw/zinc/14/43/29/599144329.db2.gz UITPMHIQNRLZDW-UHFFFAOYSA-N -1 1 356.298 1.406 20 5 FDBDMM O=C(OCCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738223617 599144332 /nfs/dbraw/zinc/14/43/32/599144332.db2.gz UITPMHIQNRLZDW-UHFFFAOYSA-N -1 1 356.298 1.406 20 5 FDBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC000735914256 598282514 /nfs/dbraw/zinc/28/25/14/598282514.db2.gz UKSTUSTWUHUSPW-UHFFFAOYSA-N -1 1 356.342 1.772 20 5 FDBDMM COc1cc(CCNc2cccc(-c3nnn[n-]3)n2)c([N+](=O)[O-])cc1OC ZINC000737045915 599399914 /nfs/dbraw/zinc/39/99/14/599399914.db2.gz TVRHVPUWXJCBTM-UHFFFAOYSA-N -1 1 371.357 1.842 20 5 FDBDMM COc1cc(CCNc2cccc(-c3nn[n-]n3)n2)c([N+](=O)[O-])cc1OC ZINC000737045915 599399916 /nfs/dbraw/zinc/39/99/16/599399916.db2.gz TVRHVPUWXJCBTM-UHFFFAOYSA-N -1 1 371.357 1.842 20 5 FDBDMM CNC(=O)c1ccc(CN(C)c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000826067979 607450272 /nfs/dbraw/zinc/45/02/72/607450272.db2.gz OFWAAIUQMFGILT-UHFFFAOYSA-N -1 1 367.369 1.771 20 5 FDBDMM CNC(=O)c1ccc(CN(C)c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000826067979 607450273 /nfs/dbraw/zinc/45/02/73/607450273.db2.gz OFWAAIUQMFGILT-UHFFFAOYSA-N -1 1 367.369 1.771 20 5 FDBDMM COC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c[nH]1 ZINC000485216804 600688987 /nfs/dbraw/zinc/68/89/87/600688987.db2.gz JBMZMCIWYBJULP-UHFFFAOYSA-N -1 1 369.311 1.209 20 5 FDBDMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000327735667 600867124 /nfs/dbraw/zinc/86/71/24/600867124.db2.gz DRFADQCCGFQJDO-UHFFFAOYSA-N -1 1 368.323 1.565 20 5 FDBDMM O=C([O-])CC1(NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000833205743 602256914 /nfs/dbraw/zinc/25/69/14/602256914.db2.gz NRHAVBAXUVGYRQ-UHFFFAOYSA-N -1 1 362.342 1.758 20 5 FDBDMM CCc1[nH]nc(C(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000739539153 602419261 /nfs/dbraw/zinc/41/92/61/602419261.db2.gz JAXGKGXNIUDUTH-ZYHUDNBSSA-N -1 1 365.390 1.875 20 5 FDBDMM C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739184485 602837459 /nfs/dbraw/zinc/83/74/59/602837459.db2.gz WKHBHXZCTHASKV-TXEJJXNPSA-N -1 1 350.375 1.996 20 5 FDBDMM CC(C)C(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824191794 607605921 /nfs/dbraw/zinc/60/59/21/607605921.db2.gz GAMYDXVICUNNPM-UHFFFAOYSA-N -1 1 354.392 1.488 20 5 FDBDMM C[C@H](CN1CCN(C)CC1)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000827460872 604265455 /nfs/dbraw/zinc/26/54/55/604265455.db2.gz DXQJGABGLAQSTN-SNVBAGLBSA-N -1 1 356.810 1.994 20 5 FDBDMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000827017407 604429104 /nfs/dbraw/zinc/42/91/04/604429104.db2.gz YBHZURVUOKQQSL-LBPRGKRZSA-N -1 1 350.331 1.421 20 5 FDBDMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccc([N+](=O)[O-])cc1 ZINC000826295122 607716944 /nfs/dbraw/zinc/71/69/44/607716944.db2.gz SEAAQLXEJCQGAY-UHFFFAOYSA-N -1 1 363.337 1.842 20 5 FDBDMM C[C@H](CN(CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C1CC1)C(=O)[O-] ZINC000833516708 605141363 /nfs/dbraw/zinc/14/13/63/605141363.db2.gz TUSVBRFERPHACV-GFCCVEGCSA-N -1 1 362.386 1.979 20 5 FDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000833626145 605162069 /nfs/dbraw/zinc/16/20/69/605162069.db2.gz OKYUVKWIKDUOJV-JTQLQIEISA-N -1 1 355.778 1.869 20 5 FDBDMM O=C(NCC1CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC000823171412 606645046 /nfs/dbraw/zinc/64/50/46/606645046.db2.gz ULTMAKDXCYAMRE-LBPRGKRZSA-N -1 1 371.401 1.518 20 5 FDBDMM NC(=O)Nc1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000822880649 606645108 /nfs/dbraw/zinc/64/51/08/606645108.db2.gz XFKVMTBLIMAXKJ-UHFFFAOYSA-N -1 1 354.330 1.878 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](CO)Cc1ccccc1 ZINC000823620045 606698637 /nfs/dbraw/zinc/69/86/37/606698637.db2.gz HISWLVJJJCRESN-GFCCVEGCSA-N -1 1 355.358 1.433 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](CO)Cc1ccccc1 ZINC000823620045 606698638 /nfs/dbraw/zinc/69/86/38/606698638.db2.gz HISWLVJJJCRESN-GFCCVEGCSA-N -1 1 355.358 1.433 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCCN(c2nccs2)CC1 ZINC000823620889 606703796 /nfs/dbraw/zinc/70/37/96/606703796.db2.gz RYYNHFUIOBFNIM-UHFFFAOYSA-N -1 1 373.402 1.343 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCCN(c2nccs2)CC1 ZINC000823620889 606703798 /nfs/dbraw/zinc/70/37/98/606703798.db2.gz RYYNHFUIOBFNIM-UHFFFAOYSA-N -1 1 373.402 1.343 20 5 FDBDMM O=C(CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])N1CCCCCC1 ZINC000822969649 606705818 /nfs/dbraw/zinc/70/58/18/606705818.db2.gz VNMIAOPJJPOCCO-UHFFFAOYSA-N -1 1 360.378 1.375 20 5 FDBDMM O=C(CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])N1CCCCCC1 ZINC000822969649 606705819 /nfs/dbraw/zinc/70/58/19/606705819.db2.gz VNMIAOPJJPOCCO-UHFFFAOYSA-N -1 1 360.378 1.375 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1ccccc1Cl ZINC000823620596 606712792 /nfs/dbraw/zinc/71/27/92/606712792.db2.gz NDNDYXBLBMJSPU-NSHDSACASA-N -1 1 361.749 1.969 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1ccccc1Cl ZINC000823620596 606712793 /nfs/dbraw/zinc/71/27/93/606712793.db2.gz NDNDYXBLBMJSPU-NSHDSACASA-N -1 1 361.749 1.969 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cn(-c2ccccc2)nn1 ZINC000823625433 606720312 /nfs/dbraw/zinc/72/03/12/606720312.db2.gz VBOOSMLAPIZYJB-UHFFFAOYSA-N -1 1 364.329 1.363 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cn(-c2ccccc2)nn1 ZINC000823625433 606720313 /nfs/dbraw/zinc/72/03/13/606720313.db2.gz VBOOSMLAPIZYJB-UHFFFAOYSA-N -1 1 364.329 1.363 20 5 FDBDMM CC[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820979717 606732628 /nfs/dbraw/zinc/73/26/28/606732628.db2.gz JKYLRDIOJJORLA-SNVBAGLBSA-N -1 1 366.403 1.586 20 5 FDBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C(C)(C)C1 ZINC000820767989 606736353 /nfs/dbraw/zinc/73/63/53/606736353.db2.gz LBOGSLAOUGTRMU-SECBINFHSA-N -1 1 366.403 1.584 20 5 FDBDMM Cc1ccccc1N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822361862 607163132 /nfs/dbraw/zinc/16/31/32/607163132.db2.gz JGRUFBBXTYENBR-UHFFFAOYSA-N -1 1 366.385 1.805 20 5 FDBDMM Cc1ccccc1N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822361862 607163133 /nfs/dbraw/zinc/16/31/33/607163133.db2.gz JGRUFBBXTYENBR-UHFFFAOYSA-N -1 1 366.385 1.805 20 5 FDBDMM COc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1NC(C)=O ZINC000821837935 607165940 /nfs/dbraw/zinc/16/59/40/607165940.db2.gz HXVROQQFEFFZRS-UHFFFAOYSA-N -1 1 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CC(C)c1[nH]nc(C(=O)Nc2nnc(CCC(=O)[O-])s2)c1[N+](=O)[O-] ZINC000827097443 604905410 /nfs/dbraw/zinc/90/54/10/604905410.db2.gz OUODPAJLJLBGKE-UHFFFAOYSA-N -1 1 354.348 1.562 20 5 FDBDMM CCOc1ccc(C[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000833664736 605040203 /nfs/dbraw/zinc/04/02/03/605040203.db2.gz YNSUUMOAXSGPDE-NSHDSACASA-N -1 1 362.342 1.390 20 5 FDBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833744851 605290875 /nfs/dbraw/zinc/29/08/75/605290875.db2.gz KJKPBEKPQJTXOM-UHFFFAOYSA-N -1 1 357.319 1.880 20 5 FDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824453025 605393191 /nfs/dbraw/zinc/39/31/91/605393191.db2.gz FDNXDBVFCVJWNC-VHSXEESVSA-N -1 1 353.379 1.950 20 5 FDBDMM CN(Cc1nnc2ccccn21)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821617852 606645567 /nfs/dbraw/zinc/64/55/67/606645567.db2.gz FUIUCBGQVGIPKK-UHFFFAOYSA-N -1 1 351.330 1.454 20 5 FDBDMM COc1ccccc1[C@@H](O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] 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COc1c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cccc1C(N)=O ZINC000579756138 550906996 /nfs/dbraw/zinc/90/69/96/550906996.db2.gz VBZCSJUPHCPKND-UHFFFAOYSA-N -1 1 367.339 1.209 20 5 FDBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCN(C[C@@H]2CCOC2)CC1 ZINC000583026769 551293320 /nfs/dbraw/zinc/29/33/20/551293320.db2.gz MWHPZLILKLMKLG-NSHDSACASA-N -1 1 369.805 1.748 20 5 FDBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000585708107 551585098 /nfs/dbraw/zinc/58/50/98/551585098.db2.gz WKLDZYVQJONWLS-QWRGUYRKSA-N -1 1 356.322 1.821 20 5 FDBDMM CN(CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1[N+](=O)[O-] ZINC000590538033 551789962 /nfs/dbraw/zinc/78/99/62/551789962.db2.gz JYIBEOHPBXYWON-LLVKDONJSA-N -1 1 361.358 1.526 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000592070036 551935675 /nfs/dbraw/zinc/93/56/75/551935675.db2.gz DYULSSRRGQLWOX-CHWSQXEVSA-N -1 1 350.400 1.893 20 5 FDBDMM O=C([O-])c1cnc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000592978385 552051227 /nfs/dbraw/zinc/05/12/27/552051227.db2.gz VPWXBNVWRKSEJL-HUUCEWRRSA-N -1 1 372.381 1.735 20 5 FDBDMM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000593306777 552086910 /nfs/dbraw/zinc/08/69/10/552086910.db2.gz CLRVMAWCZVSYFZ-LLVKDONJSA-N -1 1 369.399 1.056 20 5 FDBDMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC000593610807 552151510 /nfs/dbraw/zinc/15/15/10/552151510.db2.gz DTLHCTJYPDRPTH-ZETCQYMHSA-N -1 1 372.384 1.272 20 5 FDBDMM COc1ccc([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000594706710 552360373 /nfs/dbraw/zinc/36/03/73/552360373.db2.gz VWWGNYKWFKXKIL-HZMBPMFUSA-N -1 1 360.388 1.397 20 5 FDBDMM COc1ccc2c(c1)OCC[C@@H]2[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594757778 552372836 /nfs/dbraw/zinc/37/28/36/552372836.db2.gz JXQLBNONBKUWAE-LBPRGKRZSA-N -1 1 365.367 1.801 20 5 FDBDMM O=C1N(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]2CCCCN12 ZINC000595366209 552538108 /nfs/dbraw/zinc/53/81/08/552538108.db2.gz HEGYDOAZLQBSIZ-JTQLQIEISA-N -1 1 374.444 1.225 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](OC)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000595377604 552541241 /nfs/dbraw/zinc/54/12/41/552541241.db2.gz RVGLFCOAHMBEDV-GFCCVEGCSA-N -1 1 360.436 1.685 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)O)c([N+](=O)[O-])n1 ZINC000595411143 552553637 /nfs/dbraw/zinc/55/36/37/552553637.db2.gz YZTNVOUNYJWNDA-GWCFXTLKSA-N -1 1 354.388 1.212 20 5 FDBDMM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598740198 552930301 /nfs/dbraw/zinc/93/03/01/552930301.db2.gz OYAXZWJBROJIMQ-HNNXBMFYSA-N -1 1 373.365 1.942 20 5 FDBDMM C[C@@H]1[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCS1(=O)=O ZINC000599459061 553062742 /nfs/dbraw/zinc/06/27/42/553062742.db2.gz ZYDXCXGMSOSOGA-VXNVDRBHSA-N -1 1 368.820 1.102 20 5 FDBDMM COC(=O)[C@@](C)([N-]S(=O)(=O)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599487868 553071435 /nfs/dbraw/zinc/07/14/35/553071435.db2.gz UZONINUKQSDPAY-HNNXBMFYSA-N -1 1 356.400 1.703 20 5 FDBDMM O=C(NCc1ccc(OCC(F)(F)F)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000603642042 553807817 /nfs/dbraw/zinc/80/78/17/553807817.db2.gz UVQDMCSRKKELCO-UHFFFAOYSA-N -1 1 372.259 1.962 20 5 FDBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc1[N+](=O)[O-] ZINC000609090951 554336943 /nfs/dbraw/zinc/33/69/43/554336943.db2.gz KGZZSIZLZGWDEZ-UHFFFAOYSA-N -1 1 365.367 1.635 20 5 FDBDMM COC(=O)c1ccc(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])o1 ZINC000609351821 554371394 /nfs/dbraw/zinc/37/13/94/554371394.db2.gz UJPKZFXOJFMTEW-UHFFFAOYSA-N -1 1 369.355 1.365 20 5 FDBDMM O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000610887242 554575785 /nfs/dbraw/zinc/57/57/85/554575785.db2.gz AFLNZVQEICDKBZ-UHFFFAOYSA-N -1 1 359.342 1.013 20 5 FDBDMM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000611335312 554626393 /nfs/dbraw/zinc/62/63/93/554626393.db2.gz FCGJQYPJPRELGN-SNVBAGLBSA-N -1 1 351.359 1.747 20 5 FDBDMM Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(N2CCCC2)n1 ZINC000611593445 554651438 /nfs/dbraw/zinc/65/14/38/554651438.db2.gz VDZDFBKFMPWWLQ-UHFFFAOYSA-N -1 1 357.370 1.929 20 5 FDBDMM Cn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1 ZINC000611935405 554705636 /nfs/dbraw/zinc/70/56/36/554705636.db2.gz PWPHKPFWKKSHGF-UHFFFAOYSA-N -1 1 365.293 1.221 20 5 FDBDMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)co1 ZINC000481495260 568000158 /nfs/dbraw/zinc/00/01/58/568000158.db2.gz SKMBIPLCQLQZFZ-UHFFFAOYSA-N -1 1 353.356 1.334 20 5 FDBDMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000737908908 599141679 /nfs/dbraw/zinc/14/16/79/599141679.db2.gz LWHVHRHIYAQACP-UHFFFAOYSA-N -1 1 354.282 1.210 20 5 FDBDMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000737908908 599141681 /nfs/dbraw/zinc/14/16/81/599141681.db2.gz LWHVHRHIYAQACP-UHFFFAOYSA-N -1 1 354.282 1.210 20 5 FDBDMM Cc1cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1[N+](=O)[O-] ZINC000737279837 598262639 /nfs/dbraw/zinc/26/26/39/598262639.db2.gz NWGDSWDQACYCMO-UHFFFAOYSA-N -1 1 362.327 1.246 20 5 FDBDMM Cc1cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1[N+](=O)[O-] ZINC000737279837 598262641 /nfs/dbraw/zinc/26/26/41/598262641.db2.gz NWGDSWDQACYCMO-UHFFFAOYSA-N -1 1 362.327 1.246 20 5 FDBDMM Cc1c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cccc1[N+](=O)[O-] ZINC000737219597 598267775 /nfs/dbraw/zinc/26/77/75/598267775.db2.gz SEMHXTSWXCEYKS-UHFFFAOYSA-N -1 1 362.327 1.246 20 5 FDBDMM Cc1c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cccc1[N+](=O)[O-] ZINC000737219597 598267777 /nfs/dbraw/zinc/26/77/77/598267777.db2.gz SEMHXTSWXCEYKS-UHFFFAOYSA-N -1 1 362.327 1.246 20 5 FDBDMM CCc1nn(CCc2ccc([N+](=O)[O-])cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707875 598642449 /nfs/dbraw/zinc/64/24/49/598642449.db2.gz VOJMFVRNKDLCPO-UHFFFAOYSA-N -1 1 369.385 1.699 20 5 FDBDMM C[C@H](CCO)Nc1cc(N[C@@H](C)CCO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820249129 599562975 /nfs/dbraw/zinc/56/29/75/599562975.db2.gz RXSYHRLYCMWJDJ-VHSXEESVSA-N -1 1 365.394 1.141 20 5 FDBDMM C[C@H](CCO)Nc1cc(N[C@@H](C)CCO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820249129 599562978 /nfs/dbraw/zinc/56/29/78/599562978.db2.gz RXSYHRLYCMWJDJ-VHSXEESVSA-N -1 1 365.394 1.141 20 5 FDBDMM CCOC[C@@H](O)CN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000829985103 602316975 /nfs/dbraw/zinc/31/69/75/602316975.db2.gz XNGRFZUJFIJNLQ-AWEZNQCLSA-N -1 1 367.402 1.121 20 5 FDBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@@H]1C ZINC000824658239 607566552 /nfs/dbraw/zinc/56/65/52/607566552.db2.gz VDRYTAOCWOLTBM-QWRGUYRKSA-N -1 1 359.390 1.976 20 5 FDBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@@H]1C ZINC000824658239 607566553 /nfs/dbraw/zinc/56/65/53/607566553.db2.gz VDRYTAOCWOLTBM-QWRGUYRKSA-N -1 1 359.390 1.976 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2)c1-c1nn[n-]n1 ZINC000826499933 607572958 /nfs/dbraw/zinc/57/29/58/607572958.db2.gz FFJWJPWNOZOQEL-UHFFFAOYSA-N -1 1 360.355 1.253 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCC2CC2)c1-c1nn[n-]n1 ZINC000826500290 607620875 /nfs/dbraw/zinc/62/08/75/607620875.db2.gz SCQUSZNANOCGNN-UHFFFAOYSA-N -1 1 352.376 1.243 20 5 FDBDMM Cc1nc([C@H]2CN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000832991777 604271269 /nfs/dbraw/zinc/27/12/69/604271269.db2.gz QOAWBRFRSPLEIB-GFCCVEGCSA-N -1 1 367.749 1.951 20 5 FDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824453625 605369008 /nfs/dbraw/zinc/36/90/08/605369008.db2.gz QJQBDOVZLNWFER-JTQLQIEISA-N -1 1 353.379 1.903 20 5 FDBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823202499 606520827 /nfs/dbraw/zinc/52/08/27/606520827.db2.gz VKWGWYZEGSJUCC-UHFFFAOYSA-N -1 1 359.371 1.678 20 5 FDBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823202499 606520829 /nfs/dbraw/zinc/52/08/29/606520829.db2.gz VKWGWYZEGSJUCC-UHFFFAOYSA-N -1 1 359.371 1.678 20 5 FDBDMM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 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/nfs/dbraw/zinc/32/33/41/553323341.db2.gz IZNNKYRCHSXMRT-UHFFFAOYSA-N -1 1 365.386 1.533 20 5 FDBDMM COC(=O)c1cc([N-]C(=O)c2nc3nccc(C)n3n2)cc([N+](=O)[O-])c1 ZINC000609838505 554427186 /nfs/dbraw/zinc/42/71/86/554427186.db2.gz YTKGLZSHHXTDLH-UHFFFAOYSA-N -1 1 356.298 1.380 20 5 FDBDMM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610264380 554484437 /nfs/dbraw/zinc/48/44/37/554484437.db2.gz SWNPCBRRIFQWBE-NWDGAFQWSA-N -1 1 370.431 1.352 20 5 FDBDMM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000610590767 554535955 /nfs/dbraw/zinc/53/59/55/554535955.db2.gz UHJLDILOLDSJSM-UHFFFAOYSA-N -1 1 354.340 1.843 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000611107020 554605979 /nfs/dbraw/zinc/60/59/79/554605979.db2.gz QQISPGGCYPINJY-UHFFFAOYSA-N -1 1 358.807 1.986 20 5 FDBDMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611521848 554641017 /nfs/dbraw/zinc/64/10/17/554641017.db2.gz FIYJHIAUJBYSLH-CYBMUJFWSA-N -1 1 368.309 1.356 20 5 FDBDMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2ccc([N+](=O)[O-])o2)n[n-]1 ZINC000619252941 555745547 /nfs/dbraw/zinc/74/55/47/555745547.db2.gz KCNDOGSKAVLABD-SECBINFHSA-N -1 1 365.346 2.000 20 5 FDBDMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2ccc([N+](=O)[O-])o2)[n-]1 ZINC000619252941 555745549 /nfs/dbraw/zinc/74/55/49/555745549.db2.gz KCNDOGSKAVLABD-SECBINFHSA-N -1 1 365.346 2.000 20 5 FDBDMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000619252941 555745551 /nfs/dbraw/zinc/74/55/51/555745551.db2.gz KCNDOGSKAVLABD-SECBINFHSA-N -1 1 365.346 2.000 20 5 FDBDMM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000291153837 568063999 /nfs/dbraw/zinc/06/39/99/568063999.db2.gz PFYKOBWXSJIONZ-UHFFFAOYSA-N -1 1 362.342 1.750 20 5 FDBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000291816625 568498648 /nfs/dbraw/zinc/49/86/48/568498648.db2.gz AWLBEJFPFBREEY-UHFFFAOYSA-N -1 1 355.372 1.941 20 5 FDBDMM CS(=O)(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737171901 598499172 /nfs/dbraw/zinc/49/91/72/598499172.db2.gz FUBVHUQFPYEJFD-UHFFFAOYSA-N -1 1 362.327 1.366 20 5 FDBDMM CS(=O)(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737171901 598499174 /nfs/dbraw/zinc/49/91/74/598499174.db2.gz FUBVHUQFPYEJFD-UHFFFAOYSA-N -1 1 362.327 1.366 20 5 FDBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000738368027 598685830 /nfs/dbraw/zinc/68/58/30/598685830.db2.gz YSQPREWZOMGQSJ-UHFFFAOYSA-N -1 1 365.302 1.682 20 5 FDBDMM O=C1OC(c2cccc([N+](=O)[O-])c2)=NC1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823548095 599310302 /nfs/dbraw/zinc/31/03/02/599310302.db2.gz SOCLERHHJLDYDC-YRNVUSSQSA-N -1 1 352.266 1.712 20 5 FDBDMM O=C1OC(c2cccc([N+](=O)[O-])c2)=NC1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823548095 599310305 /nfs/dbraw/zinc/31/03/05/599310305.db2.gz SOCLERHHJLDYDC-YRNVUSSQSA-N -1 1 352.266 1.712 20 5 FDBDMM O=C1C[C@H](c2cccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c2)CN1 ZINC000823521455 607386538 /nfs/dbraw/zinc/38/65/38/607386538.db2.gz XEHZXWXUENWJEK-JTQLQIEISA-N -1 1 366.341 1.517 20 5 FDBDMM O=C1C[C@H](c2cccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c2)CN1 ZINC000823521455 607386540 /nfs/dbraw/zinc/38/65/40/607386540.db2.gz XEHZXWXUENWJEK-JTQLQIEISA-N -1 1 366.341 1.517 20 5 FDBDMM O=C(NCC1CC1)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC000826434133 607452354 /nfs/dbraw/zinc/45/23/54/607452354.db2.gz DGCBGRHJGCQKKK-LBPRGKRZSA-N -1 1 371.401 1.518 20 5 FDBDMM O=C(NCC1CC1)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC000826434133 607452356 /nfs/dbraw/zinc/45/23/56/607452356.db2.gz DGCBGRHJGCQKKK-LBPRGKRZSA-N -1 1 371.401 1.518 20 5 FDBDMM CN(CCC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825919087 607556130 /nfs/dbraw/zinc/55/61/30/607556130.db2.gz SGTIMMKEUIWSPR-UHFFFAOYSA-N -1 1 352.376 1.196 20 5 FDBDMM Cc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000826298257 607584182 /nfs/dbraw/zinc/58/41/82/607584182.db2.gz KXUICQSFRZEPCE-UHFFFAOYSA-N -1 1 374.382 1.562 20 5 FDBDMM CCCc1[nH]nc(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000826949425 604258716 /nfs/dbraw/zinc/25/87/16/604258716.db2.gz NDXHOOLRYULBJZ-ZJUUUORDSA-N -1 1 353.379 1.779 20 5 FDBDMM Cc1ccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822229036 606580251 /nfs/dbraw/zinc/58/02/51/606580251.db2.gz KVYZZADFCRSRSD-SECBINFHSA-N -1 1 371.361 1.700 20 5 FDBDMM Cc1ccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822229036 606580253 /nfs/dbraw/zinc/58/02/53/606580253.db2.gz KVYZZADFCRSRSD-SECBINFHSA-N -1 1 371.361 1.700 20 5 FDBDMM COc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1NC(C)=O ZINC000821723819 606697859 /nfs/dbraw/zinc/69/78/59/606697859.db2.gz JSJZCJKFIFQAQE-UHFFFAOYSA-N -1 1 370.329 1.881 20 5 FDBDMM COc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1NC(C)=O ZINC000821723819 606697861 /nfs/dbraw/zinc/69/78/61/606697861.db2.gz JSJZCJKFIFQAQE-UHFFFAOYSA-N -1 1 370.329 1.881 20 5 FDBDMM COCCOc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821693981 606698178 /nfs/dbraw/zinc/69/81/78/606698178.db2.gz XSDAZJCVIRRVFH-UHFFFAOYSA-N -1 1 371.357 1.807 20 5 FDBDMM COCCOc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821693981 606698181 /nfs/dbraw/zinc/69/81/81/606698181.db2.gz XSDAZJCVIRRVFH-UHFFFAOYSA-N -1 1 371.357 1.807 20 5 FDBDMM Cc1nnc([C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)o1 ZINC000822509670 606705561 /nfs/dbraw/zinc/70/55/61/606705561.db2.gz CJLWBVHYDARHNN-VIFPVBQESA-N -1 1 357.334 1.245 20 5 FDBDMM Cc1nnc([C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)o1 ZINC000822509670 606705563 /nfs/dbraw/zinc/70/55/63/606705563.db2.gz CJLWBVHYDARHNN-VIFPVBQESA-N -1 1 357.334 1.245 20 5 FDBDMM Cc1cnc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)s1 ZINC000822395272 606715471 /nfs/dbraw/zinc/71/54/71/606715471.db2.gz ZKXDNRWDKHSGRD-UHFFFAOYSA-N -1 1 373.402 1.261 20 5 FDBDMM Cc1cnc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)s1 ZINC000822395272 606715472 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/nfs/dbraw/zinc/65/82/01/537658201.db2.gz ACAYYELKTFGEPW-SSDOTTSWSA-N -1 1 356.759 1.063 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CCCC2)c([N+](=O)[O-])n1 ZINC000416505634 537869257 /nfs/dbraw/zinc/86/92/57/537869257.db2.gz BOPGPBSCJIUMKE-CYBMUJFWSA-N -1 1 374.463 1.667 20 5 FDBDMM CCCCCNC(=O)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000444854194 538200642 /nfs/dbraw/zinc/20/06/42/538200642.db2.gz GCWVULHSYMZGLW-UHFFFAOYSA-N -1 1 364.402 1.854 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)s1 ZINC000443271506 538396475 /nfs/dbraw/zinc/39/64/75/538396475.db2.gz ZCGQADOYBGMXIS-SECBINFHSA-N -1 1 364.351 1.946 20 5 FDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCNc1ccc2ccccc2n1 ZINC000566593354 547818693 /nfs/dbraw/zinc/81/86/93/547818693.db2.gz IZBHKCZWUXNVFN-UHFFFAOYSA-N -1 1 373.394 1.928 20 5 FDBDMM COC(=O)c1ccc(OCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000570663445 549365366 /nfs/dbraw/zinc/36/53/66/549365366.db2.gz ORBTXLHADJXFRQ-UHFFFAOYSA-N -1 1 361.310 1.291 20 5 FDBDMM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)c1 ZINC000589828604 551746992 /nfs/dbraw/zinc/74/69/92/551746992.db2.gz MEBFDFCYWXSVAD-UHFFFAOYSA-N -1 1 360.355 1.608 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC[C@]1(O)CCCOC1 ZINC000593662360 552167304 /nfs/dbraw/zinc/16/73/04/552167304.db2.gz CBKCZVLPVPXXGY-CYBMUJFWSA-N -1 1 364.807 1.458 20 5 FDBDMM CCOc1cc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])ccc1OC ZINC000594753384 552371048 /nfs/dbraw/zinc/37/10/48/552371048.db2.gz KFPSVPUJNIOCSO-UHFFFAOYSA-N -1 1 367.383 1.876 20 5 FDBDMM Cn1nc2c(c1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])CCCC2 ZINC000594775813 552380232 /nfs/dbraw/zinc/38/02/32/552380232.db2.gz IZHFQKCEMQHIBY-UHFFFAOYSA-N -1 1 351.388 1.081 20 5 FDBDMM CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(C(=O)[O-])CCCC1 ZINC000595279921 552511319 /nfs/dbraw/zinc/51/13/19/552511319.db2.gz GODNLGNIQAWTSW-UHFFFAOYSA-N -1 1 356.400 1.698 20 5 FDBDMM CC(C)(C)N1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1=O 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C[C@@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610261934 554483403 /nfs/dbraw/zinc/48/34/03/554483403.db2.gz VRTJPQFCLYIJOL-GFCCVEGCSA-N -1 1 362.411 1.719 20 5 FDBDMM O=C1[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000610802120 554564119 /nfs/dbraw/zinc/56/41/19/554564119.db2.gz ZBDNHEUOZLMPFC-GFCCVEGCSA-N -1 1 368.415 1.202 20 5 FDBDMM COc1cc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])ccc1O ZINC000611019048 554594738 /nfs/dbraw/zinc/59/47/38/554594738.db2.gz WUQYUSVJUOPQGN-UHFFFAOYSA-N -1 1 353.356 1.225 20 5 FDBDMM CCOC(=O)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000617381138 555429399 /nfs/dbraw/zinc/42/93/99/555429399.db2.gz DZAYGEUPAYDIHS-UHFFFAOYSA-N -1 1 352.328 1.884 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCc3cc(O)ccc3C2)c([N+](=O)[O-])n1 ZINC000618180329 555583199 /nfs/dbraw/zinc/58/31/99/555583199.db2.gz WDPVVOUEUGCZJL-LBPRGKRZSA-N -1 1 366.399 1.353 20 5 FDBDMM Cn1cnc([N+](=O)[O-])c1CS(=O)(=O)c1nc(-c2ccccc2F)n[n-]1 ZINC000618557654 555649787 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ZINC000826501829 607546847 /nfs/dbraw/zinc/54/68/47/607546847.db2.gz IXCRPAJARBNMPK-UHFFFAOYSA-N -1 1 366.297 1.035 20 5 FDBDMM CC(C)N(CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000738847296 602388987 /nfs/dbraw/zinc/38/89/87/602388987.db2.gz BFCZIIMFMYYXPV-UHFFFAOYSA-N -1 1 363.367 1.791 20 5 FDBDMM CC(C)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824244485 607583479 /nfs/dbraw/zinc/58/34/79/607583479.db2.gz RVXIUNBZZHPCDX-UHFFFAOYSA-N -1 1 354.392 1.489 20 5 FDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000833628492 605191339 /nfs/dbraw/zinc/19/13/39/605191339.db2.gz IZBZADKXRGHYGK-GFCCVEGCSA-N -1 1 350.375 1.014 20 5 FDBDMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000833834764 605685034 /nfs/dbraw/zinc/68/50/34/605685034.db2.gz RCCYAEYOJKJBHP-MNOVXSKESA-N -1 1 351.359 1.844 20 5 FDBDMM CN(CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000821593782 606292953 /nfs/dbraw/zinc/29/29/53/606292953.db2.gz KDJXDOVMHRVHDO-UHFFFAOYSA-N -1 1 369.341 1.555 20 5 FDBDMM O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823040009 606653103 /nfs/dbraw/zinc/65/31/03/606653103.db2.gz ANWKAAVJIMDULS-UHFFFAOYSA-N -1 1 356.298 1.292 20 5 FDBDMM O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823040009 606653104 /nfs/dbraw/zinc/65/31/04/606653104.db2.gz ANWKAAVJIMDULS-UHFFFAOYSA-N -1 1 356.298 1.292 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000823620265 606698901 /nfs/dbraw/zinc/69/89/01/606698901.db2.gz JGSQCESNXRBAPF-NSHDSACASA-N -1 1 373.348 1.572 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000823620265 606698903 /nfs/dbraw/zinc/69/89/03/606698903.db2.gz JGSQCESNXRBAPF-NSHDSACASA-N -1 1 373.348 1.572 20 5 FDBDMM O=C(NCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000823190621 606705327 /nfs/dbraw/zinc/70/53/27/606705327.db2.gz AGOXGDUQXBVHFO-UHFFFAOYSA-N -1 1 368.357 1.402 20 5 FDBDMM O=C(NCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000823190621 606705329 /nfs/dbraw/zinc/70/53/29/606705329.db2.gz AGOXGDUQXBVHFO-UHFFFAOYSA-N -1 1 368.357 1.402 20 5 FDBDMM COc1ccccc1CCN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821889477 606708103 /nfs/dbraw/zinc/70/81/03/606708103.db2.gz BVPOLBOHPPEMNP-UHFFFAOYSA-N -1 1 355.358 1.857 20 5 FDBDMM COc1ccccc1CCN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821889477 606708105 /nfs/dbraw/zinc/70/81/05/606708105.db2.gz BVPOLBOHPPEMNP-UHFFFAOYSA-N -1 1 355.358 1.857 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)c1ccccc1Cl ZINC000823620595 606712828 /nfs/dbraw/zinc/71/28/28/606712828.db2.gz NDNDYXBLBMJSPU-LLVKDONJSA-N -1 1 361.749 1.969 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)c1ccccc1Cl ZINC000823620595 606712829 /nfs/dbraw/zinc/71/28/29/606712829.db2.gz NDNDYXBLBMJSPU-LLVKDONJSA-N -1 1 361.749 1.969 20 5 FDBDMM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820649049 606730800 /nfs/dbraw/zinc/73/08/00/606730800.db2.gz ICBPMJXTZBTSHB-UWVGGRQHSA-N -1 1 366.403 1.442 20 5 FDBDMM C[C@H](C1CC1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820218948 606732221 /nfs/dbraw/zinc/73/22/21/606732221.db2.gz BMCVCCWGLNPOCG-MRVPVSSYSA-N -1 1 352.376 1.194 20 5 FDBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H]1C ZINC000820766598 606736134 /nfs/dbraw/zinc/73/61/34/606736134.db2.gz BQNBJVSUFKMRQA-DTORHVGOSA-N -1 1 352.376 1.051 20 5 FDBDMM CC[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820989112 606736194 /nfs/dbraw/zinc/73/61/94/606736194.db2.gz MDJYQRSFAOYWCD-VIFPVBQESA-N -1 1 352.376 1.196 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000823612969 607033549 /nfs/dbraw/zinc/03/35/49/607033549.db2.gz HJZMRNXCFFINGO-SNVBAGLBSA-N -1 1 373.295 1.310 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000823612969 607033550 /nfs/dbraw/zinc/03/35/50/607033550.db2.gz HJZMRNXCFFINGO-SNVBAGLBSA-N -1 1 373.295 1.310 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1COc2ccccc2O1 ZINC000823625517 607163186 /nfs/dbraw/zinc/16/31/86/607163186.db2.gz XIUOPYVCYNMBOZ-SECBINFHSA-N -1 1 355.314 1.422 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1COc2ccccc2O1 ZINC000823625517 607163188 /nfs/dbraw/zinc/16/31/88/607163188.db2.gz XIUOPYVCYNMBOZ-SECBINFHSA-N -1 1 355.314 1.422 20 5 FDBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCC1 ZINC000824640171 607906776 /nfs/dbraw/zinc/90/67/76/607906776.db2.gz BVVFOEWCYVRXNK-QMMMGPOBSA-N -1 1 352.376 1.242 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC23CCC(CC2)C3)c1-c1nn[n-]n1 ZINC000826499886 608124787 /nfs/dbraw/zinc/12/47/87/608124787.db2.gz CUFFIXCMUCSGJS-UHFFFAOYSA-N -1 1 364.387 1.386 20 5 FDBDMM CN(C)c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1[N+](=O)[O-] ZINC000825878721 608128558 /nfs/dbraw/zinc/12/85/58/608128558.db2.gz CQSRJZVCAIANNB-UHFFFAOYSA-N -1 1 369.341 1.593 20 5 FDBDMM CN(C)c1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1[N+](=O)[O-] ZINC000825878721 608128559 /nfs/dbraw/zinc/12/85/59/608128559.db2.gz CQSRJZVCAIANNB-UHFFFAOYSA-N -1 1 369.341 1.593 20 5 FDBDMM O=[N+]([O-])c1ccccc1N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826500531 608499104 /nfs/dbraw/zinc/49/91/04/608499104.db2.gz BFSTUTDHIGLAAN-UHFFFAOYSA-N -1 1 355.358 1.690 20 5 FDBDMM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000277413622 674937994 /nfs/dbraw/zinc/93/79/94/674937994.db2.gz ICKGHLHQQGQGOD-UHFFFAOYSA-N -1 1 366.355 1.813 20 5 FDBDMM COC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039644 670882145 /nfs/dbraw/zinc/88/21/45/670882145.db2.gz VKGDNKZIAUPRNW-ZETCQYMHSA-N -1 1 353.194 1.671 20 5 FDBDMM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101571740 671583964 /nfs/dbraw/zinc/58/39/64/671583964.db2.gz GXQKHVBCRFFXHU-JTQLQIEISA-N -1 1 363.823 1.687 20 5 FDBDMM C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(F)cc1F ZINC000114556153 671650186 /nfs/dbraw/zinc/65/01/86/671650186.db2.gz QOYIXRQTMNZOLF-HNNXBMFYSA-N -1 1 353.281 1.611 20 5 FDBDMM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000121917364 671711940 /nfs/dbraw/zinc/71/19/40/671711940.db2.gz WIYHPRJLKLUNOL-UHFFFAOYSA-N -1 1 355.347 1.850 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000125874936 671752893 /nfs/dbraw/zinc/75/28/93/671752893.db2.gz BJPBXPGSSHHGLZ-CABZTGNLSA-N -1 1 363.823 1.246 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccn2ccnc2c1 ZINC000177728204 672130786 /nfs/dbraw/zinc/13/07/86/672130786.db2.gz NCTWSLNDJFHHOD-UHFFFAOYSA-N -1 1 350.331 1.860 20 5 FDBDMM O=C(CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCCCC1 ZINC000194348604 672383644 /nfs/dbraw/zinc/38/36/44/672383644.db2.gz RJFIGJQVTIYABJ-UHFFFAOYSA-N -1 1 359.379 1.415 20 5 FDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCCO1 ZINC000263897694 672885746 /nfs/dbraw/zinc/88/57/46/672885746.db2.gz ALVSWAJARVUJQJ-VIFPVBQESA-N -1 1 365.205 1.815 20 5 FDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)C2CC2)c1Cl ZINC000289259416 676112178 /nfs/dbraw/zinc/11/21/78/676112178.db2.gz YEKXCGLJHSPQAY-SECBINFHSA-N -1 1 355.199 1.951 20 5 FDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCCCCO ZINC000279544402 675310799 /nfs/dbraw/zinc/31/07/99/675310799.db2.gz VVYLZQGMBLPANS-UHFFFAOYSA-N -1 1 367.221 1.798 20 5 FDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nncn1C1CC1 ZINC000281196502 675499855 /nfs/dbraw/zinc/49/98/55/675499855.db2.gz OWPXKASKMFHWTJ-UHFFFAOYSA-N -1 1 357.779 1.653 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@@H]2OC)c([N+](=O)[O-])n1 ZINC000416577087 679669980 /nfs/dbraw/zinc/66/99/80/679669980.db2.gz IBGWVRTUVKQORM-OCCSQVGLSA-N -1 1 366.399 1.402 20 5 FDBDMM O=C([O-])c1cccc(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000327708473 676594770 /nfs/dbraw/zinc/59/47/70/676594770.db2.gz QBODRTMJAQOPFD-UHFFFAOYSA-N -1 1 368.342 1.953 20 5 FDBDMM O=C1COc2c(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cccc2N1 ZINC000378019583 678674178 /nfs/dbraw/zinc/67/41/78/678674178.db2.gz RJQNHIGMACYKNX-UHFFFAOYSA-N -1 1 365.323 1.432 20 5 FDBDMM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416486008 679636877 /nfs/dbraw/zinc/63/68/77/679636877.db2.gz HGCVZNVAKRQTON-ZETCQYMHSA-N -1 1 374.268 1.403 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccn(C)n1 ZINC000416564014 679654630 /nfs/dbraw/zinc/65/46/30/679654630.db2.gz RSIPNHBNEDXOMP-VIFPVBQESA-N -1 1 368.371 1.139 20 5 FDBDMM CN(CC(N)=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000428103533 680994619 /nfs/dbraw/zinc/99/46/19/680994619.db2.gz ODZMPIICHIZPIL-UHFFFAOYSA-N -1 1 364.383 1.317 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)Cc2c(C)nn(C)c2C)c([N+](=O)[O-])n1 ZINC000435808351 681638018 /nfs/dbraw/zinc/63/80/18/681638018.db2.gz LVXVBUFZBFNABS-SECBINFHSA-N -1 1 370.435 1.071 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2c(C)nn(C)c2C)c([N+](=O)[O-])n1 ZINC000435808352 681638072 /nfs/dbraw/zinc/63/80/72/681638072.db2.gz LVXVBUFZBFNABS-VIFPVBQESA-N -1 1 370.435 1.071 20 5 FDBDMM COCCN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000444176670 682388766 /nfs/dbraw/zinc/38/87/66/682388766.db2.gz QTOUPQNRQVXROH-SNVBAGLBSA-N -1 1 363.823 1.247 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccncc2OC)c([N+](=O)[O-])n1 ZINC000445700038 682461317 /nfs/dbraw/zinc/46/13/17/682461317.db2.gz QPTNLGYVJLCWLF-VIFPVBQESA-N -1 1 355.376 1.254 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)C2CCOCC2)s1 ZINC000460895072 684548681 /nfs/dbraw/zinc/54/86/81/684548681.db2.gz CDSRWISRAFRRAP-JTQLQIEISA-N -1 1 350.418 1.112 20 5 FDBDMM COC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000465487999 684784701 /nfs/dbraw/zinc/78/47/01/684784701.db2.gz FTJNYGRSZLSBPD-GFCCVEGCSA-N -1 1 366.779 1.105 20 5 FDBDMM O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000488580286 687049198 /nfs/dbraw/zinc/04/91/98/687049198.db2.gz UVYXHQZVDAFSQS-UHFFFAOYSA-N -1 1 369.330 1.038 20 5 FDBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1C(N)=O ZINC000497453325 687676988 /nfs/dbraw/zinc/67/69/88/687676988.db2.gz FYFGCJUFYDEEPU-UHFFFAOYSA-N -1 1 365.367 1.812 20 5 FDBDMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cccnc1 ZINC000509638572 689293091 /nfs/dbraw/zinc/29/30/91/689293091.db2.gz RVKNTIVPEVCMMS-UHFFFAOYSA-N -1 1 370.774 1.560 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3OC2)c([N+](=O)[O-])n1 ZINC000510387469 689372452 /nfs/dbraw/zinc/37/24/52/689372452.db2.gz AKDYNAOUXGXIAG-GFCCVEGCSA-N -1 1 366.399 1.483 20 5 FDBDMM O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000515734730 689890416 /nfs/dbraw/zinc/89/04/16/689890416.db2.gz ZQSUMEBKWJPTRM-UHFFFAOYSA-N -1 1 364.383 1.960 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000532853462 694891774 /nfs/dbraw/zinc/89/17/74/694891774.db2.gz BYPLQGVOXARGDF-CHWSQXEVSA-N -1 1 350.400 1.721 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCOc2ccc(C)cc2C)c([N+](=O)[O-])n1 ZINC000532853698 694892092 /nfs/dbraw/zinc/89/20/92/694892092.db2.gz JTRYVEWGHWOSOC-UHFFFAOYSA-N -1 1 368.415 1.785 20 5 FDBDMM CC[C@@](C)(CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1OCCO1 ZINC000748070943 770042909 /nfs/dbraw/zinc/04/29/09/770042909.db2.gz KPZPOVXTFMTLCW-HNNXBMFYSA-N -1 1 373.431 1.838 20 5 FDBDMM O=C(NCc1ccnc(OC2CCOCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277657470 782956255 /nfs/dbraw/zinc/95/62/55/782956255.db2.gz FVLKSQJFNJPZPG-UHFFFAOYSA-N -1 1 374.353 1.578 20 5 FDBDMM CC(C)(C(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000376923901 790855959 /nfs/dbraw/zinc/85/59/59/790855959.db2.gz UYRDAJMIDCFXMR-JTQLQIEISA-N -1 1 362.365 1.931 20 5 FDBDMM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000377059312 791001180 /nfs/dbraw/zinc/00/11/80/791001180.db2.gz ZKFNGYLVDYGIIA-CQSZACIVSA-N -1 1 370.365 1.616 20 5 FDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000290606371 793543003 /nfs/dbraw/zinc/54/30/03/793543003.db2.gz SFAYKUQGTNIXDA-AWEZNQCLSA-N -1 1 354.366 1.973 20 5 FDBDMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000416185318 793787306 /nfs/dbraw/zinc/78/73/06/793787306.db2.gz UFCFICVYVWTHPS-UHFFFAOYSA-N -1 1 360.326 1.609 20 5 FDBDMM CCN1C(=O)N=NC1C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000367036608 814262802 /nfs/dbraw/zinc/26/28/02/814262802.db2.gz HPEDQXHMDNEADG-UHFFFAOYSA-N -1 1 362.346 1.032 20 5 FDBDMM C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)n1cncn1 ZINC000515791912 816435730 /nfs/dbraw/zinc/43/57/30/816435730.db2.gz KOXMWWMBOVXAIK-JTQLQIEISA-N -1 1 369.341 1.966 20 5 FDBDMM Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c1 ZINC000428366008 828140842 /nfs/dbraw/zinc/14/08/42/828140842.db2.gz WDRPXWWHKPWTBV-SECBINFHSA-N -1 1 369.341 1.675 20 5 FDBDMM O=C(NCCOc1ncccc1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444962612 828228136 /nfs/dbraw/zinc/22/81/36/828228136.db2.gz FOYGFDIQDHCHLN-UHFFFAOYSA-N -1 1 372.259 1.918 20 5 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/nfs/dbraw/zinc/93/99/85/552939985.db2.gz CITNSNAFXNWSJV-UHFFFAOYSA-N -1 1 372.341 1.214 20 5 FDBDMM CCCc1cc(=O)n2[n-]c(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])nc2n1 ZINC000598893837 552940308 /nfs/dbraw/zinc/94/03/08/552940308.db2.gz YNZBCTMNRUFYRW-UHFFFAOYSA-N -1 1 374.332 1.599 20 5 FDBDMM CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000600832217 553320005 /nfs/dbraw/zinc/32/00/05/553320005.db2.gz RILRAQZVXCIZFO-UHFFFAOYSA-N -1 1 357.370 1.981 20 5 FDBDMM COc1cc(C(=O)[N-]c2nn3cnnc3s2)c([N+](=O)[O-])cc1OC ZINC000603467651 553791784 /nfs/dbraw/zinc/79/17/84/553791784.db2.gz ZPJNTRZFJPWJOG-UHFFFAOYSA-N -1 1 350.316 1.364 20 5 FDBDMM CCCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000603909325 553829311 /nfs/dbraw/zinc/82/93/11/553829311.db2.gz FXWMGSNLSSAEJJ-UHFFFAOYSA-N -1 1 358.354 1.765 20 5 FDBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000610212311 554474246 /nfs/dbraw/zinc/47/42/46/554474246.db2.gz HJZUWNYLQGCTCS-WDEREUQCSA-N -1 1 356.404 1.058 20 5 FDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ncc[nH]1 ZINC000611157909 554610424 /nfs/dbraw/zinc/61/04/24/554610424.db2.gz PMPDPZGMMDHIDB-UHFFFAOYSA-N -1 1 361.177 1.559 20 5 FDBDMM O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1c([O-])cccc1F ZINC000611294907 554623812 /nfs/dbraw/zinc/62/38/12/554623812.db2.gz ZBASWWPHEJRMTD-UHFFFAOYSA-N -1 1 362.317 1.877 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](c2ccnn2C)C(C)C)c([N+](=O)[O-])n1 ZINC000615947066 555257425 /nfs/dbraw/zinc/25/74/25/555257425.db2.gz MBAPTUTVYQNMNS-NSHDSACASA-N -1 1 370.435 1.263 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)C1CCOCC1 ZINC000481584723 568063274 /nfs/dbraw/zinc/06/32/74/568063274.db2.gz CUPOYKZDRGKVHY-NSHDSACASA-N -1 1 364.807 1.314 20 5 FDBDMM Cc1n[nH]c(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000291272926 568093373 /nfs/dbraw/zinc/09/33/73/568093373.db2.gz ZNNZQXYHRNOHHM-MRVPVSSYSA-N -1 1 363.296 1.157 20 5 FDBDMM Cc1n[nH]c(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000291272926 568093374 /nfs/dbraw/zinc/09/33/74/568093374.db2.gz ZNNZQXYHRNOHHM-MRVPVSSYSA-N -1 1 363.296 1.157 20 5 FDBDMM Cc1[nH]nc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000291272926 568093375 /nfs/dbraw/zinc/09/33/75/568093375.db2.gz ZNNZQXYHRNOHHM-MRVPVSSYSA-N -1 1 363.296 1.157 20 5 FDBDMM Cc1nn(Cc2ccc(Cl)cc2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1C ZINC000737523120 599158537 /nfs/dbraw/zinc/15/85/37/599158537.db2.gz QBSNLMHQMXRDJC-UHFFFAOYSA-N -1 1 361.749 1.650 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc2c1OCCCO2 ZINC000823624728 607307767 /nfs/dbraw/zinc/30/77/67/607307767.db2.gz HJQXRLLKAJLTBG-UHFFFAOYSA-N -1 1 369.341 1.943 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc2c1OCCCO2 ZINC000823624728 607307768 /nfs/dbraw/zinc/30/77/68/607307768.db2.gz HJQXRLLKAJLTBG-UHFFFAOYSA-N -1 1 369.341 1.943 20 5 FDBDMM Cc1ccoc1C(=O)NCCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826315400 607452320 /nfs/dbraw/zinc/45/23/20/607452320.db2.gz INWYQZGSYDSHEI-UHFFFAOYSA-N -1 1 371.357 1.908 20 5 FDBDMM Cc1ccoc1C(=O)NCCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826315400 607452322 /nfs/dbraw/zinc/45/23/22/607452322.db2.gz INWYQZGSYDSHEI-UHFFFAOYSA-N -1 1 371.357 1.908 20 5 FDBDMM CC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000829142552 600901333 /nfs/dbraw/zinc/90/13/33/600901333.db2.gz VJFGYKIFULTXFI-BXUZGUMPSA-N -1 1 365.386 1.210 20 5 FDBDMM O=C([O-])[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000833169699 601388078 /nfs/dbraw/zinc/38/80/78/601388078.db2.gz ZCCXMFYNDQVFPA-LLVKDONJSA-N -1 1 371.758 1.747 20 5 FDBDMM Cc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])c1[N+](=O)[O-] ZINC000740033277 602466752 /nfs/dbraw/zinc/46/67/52/602466752.db2.gz QELDTBDCPCMARF-MNOVXSKESA-N -1 1 351.363 1.763 20 5 FDBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C(=O)[O-])C[C@@H]1C ZINC000740098977 602741644 /nfs/dbraw/zinc/74/16/44/602741644.db2.gz MOBULHHZMXUUNQ-LBPRGKRZSA-N -1 1 350.375 1.916 20 5 FDBDMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000739016667 602755379 /nfs/dbraw/zinc/75/53/79/602755379.db2.gz QYNQYBDNVKPZMN-SECBINFHSA-N -1 1 361.358 1.979 20 5 FDBDMM C[C@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000827512357 604263453 /nfs/dbraw/zinc/26/34/53/604263453.db2.gz MQMDMPKDJWVWMX-SNVBAGLBSA-N -1 1 356.810 1.994 20 5 FDBDMM C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1CCC(=O)[O-] ZINC000833626839 605277261 /nfs/dbraw/zinc/27/72/61/605277261.db2.gz ZYJRBYVCYPYJHT-SNVBAGLBSA-N -1 1 361.358 1.092 20 5 FDBDMM CNc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821637829 606650326 /nfs/dbraw/zinc/65/03/26/606650326.db2.gz VTAVSFYPTQDUFF-UHFFFAOYSA-N -1 1 355.314 1.569 20 5 FDBDMM CNc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821637829 606650327 /nfs/dbraw/zinc/65/03/27/606650327.db2.gz VTAVSFYPTQDUFF-UHFFFAOYSA-N -1 1 355.314 1.569 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000823619925 606700294 /nfs/dbraw/zinc/70/02/94/606700294.db2.gz DCJBDRQHKQZUQH-SNVBAGLBSA-N -1 1 368.361 1.041 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000823619925 606700296 /nfs/dbraw/zinc/70/02/96/606700296.db2.gz DCJBDRQHKQZUQH-SNVBAGLBSA-N -1 1 368.361 1.041 20 5 FDBDMM CCN(CC)C(=O)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821169990 606704840 /nfs/dbraw/zinc/70/48/40/606704840.db2.gz KQMSZAQSBDSRJG-UHFFFAOYSA-N -1 1 374.405 1.255 20 5 FDBDMM CCN(CC)C(=O)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821169990 606704841 /nfs/dbraw/zinc/70/48/41/606704841.db2.gz KQMSZAQSBDSRJG-UHFFFAOYSA-N -1 1 374.405 1.255 20 5 FDBDMM CCCC(=O)N[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821000528 606705921 /nfs/dbraw/zinc/70/59/21/606705921.db2.gz GMZMCBJIXCVNKK-SNVBAGLBSA-N -1 1 360.378 1.055 20 5 FDBDMM CCCC(=O)N[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821000528 606705923 /nfs/dbraw/zinc/70/59/23/606705923.db2.gz GMZMCBJIXCVNKK-SNVBAGLBSA-N -1 1 360.378 1.055 20 5 FDBDMM Cc1ncc2c(n1)CCC[C@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822471760 606711137 /nfs/dbraw/zinc/71/11/37/606711137.db2.gz JGBNKDWKDUCVAS-GFCCVEGCSA-N -1 1 353.346 1.758 20 5 FDBDMM Cc1ncc2c(n1)CCC[C@H]2Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822471760 606711139 /nfs/dbraw/zinc/71/11/39/606711139.db2.gz JGBNKDWKDUCVAS-GFCCVEGCSA-N -1 1 353.346 1.758 20 5 FDBDMM CC1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000820595823 606732382 /nfs/dbraw/zinc/73/23/82/606732382.db2.gz KFZWOZRTXNOYHT-UHFFFAOYSA-N -1 1 366.403 1.586 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nc(-c2ccncc2)no1 ZINC000823625448 607166685 /nfs/dbraw/zinc/16/66/85/607166685.db2.gz VVTLJTXMSSAQFC-UHFFFAOYSA-N -1 1 366.301 1.227 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nc(-c2ccncc2)no1 ZINC000823625448 607166687 /nfs/dbraw/zinc/16/66/87/607166687.db2.gz VVTLJTXMSSAQFC-UHFFFAOYSA-N -1 1 366.301 1.227 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cnn(-c2ccccc2)c1 ZINC000823625198 607166891 /nfs/dbraw/zinc/16/68/91/607166891.db2.gz SSAVQCPWQIQADY-UHFFFAOYSA-N -1 1 363.341 1.968 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cnn(-c2ccccc2)c1 ZINC000823625198 607166893 /nfs/dbraw/zinc/16/68/93/607166893.db2.gz SSAVQCPWQIQADY-UHFFFAOYSA-N -1 1 363.341 1.968 20 5 FDBDMM Cc1cccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826299901 607866889 /nfs/dbraw/zinc/86/68/89/607866889.db2.gz APCWIMPGTMBOHK-UHFFFAOYSA-N -1 1 361.339 1.851 20 5 FDBDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826472409 608121862 /nfs/dbraw/zinc/12/18/62/608121862.db2.gz JVQRUTPTOFGVRH-UHFFFAOYSA-N -1 1 365.353 1.975 20 5 FDBDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826472409 608121863 /nfs/dbraw/zinc/12/18/63/608121863.db2.gz JVQRUTPTOFGVRH-UHFFFAOYSA-N -1 1 365.353 1.975 20 5 FDBDMM CCC(Nc1cc(Cl)ccc1[N+](=O)[O-])=C1C(=O)[N-]C(=S)NC1=O ZINC000009866241 670580609 /nfs/dbraw/zinc/58/06/09/670580609.db2.gz UAGFUZSXGSIZFQ-UHFFFAOYSA-N -1 1 354.775 1.855 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCOCC(F)(F)F ZINC000194343855 672383390 /nfs/dbraw/zinc/38/33/90/672383390.db2.gz SQACVURMNCFYAK-UHFFFAOYSA-N -1 1 360.285 1.981 20 5 FDBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000195204553 672400312 /nfs/dbraw/zinc/40/03/12/672400312.db2.gz SPBABRKXTVXBDT-SECBINFHSA-N -1 1 371.346 1.310 20 5 FDBDMM CN(C)c1ncc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1C ZINC000265630933 672956828 /nfs/dbraw/zinc/95/68/28/672956828.db2.gz RVRCHBUERNTWDL-UHFFFAOYSA-N -1 1 357.367 1.012 20 5 FDBDMM CNC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289535808 676149701 /nfs/dbraw/zinc/14/97/01/676149701.db2.gz QTLFWSJHSGYFFZ-UHFFFAOYSA-N -1 1 356.187 1.316 20 5 FDBDMM CN1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1=O ZINC000290714159 676226113 /nfs/dbraw/zinc/22/61/13/676226113.db2.gz JTTGAEMJYKZPTE-SSDOTTSWSA-N -1 1 365.770 1.286 20 5 FDBDMM C[S@](=O)C1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000280814337 675458970 /nfs/dbraw/zinc/45/89/70/675458970.db2.gz UFKQNKULTYQEOM-NRFANRHFSA-N -1 1 350.393 1.313 20 5 FDBDMM CCn1cc(S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000327109292 676589125 /nfs/dbraw/zinc/58/91/25/676589125.db2.gz YUEXYRHRVNZVFA-UHFFFAOYSA-N -1 1 369.355 1.924 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)s1 ZINC000371256015 677656307 /nfs/dbraw/zinc/65/63/07/677656307.db2.gz OHHMVOBGJMBYQZ-UHFFFAOYSA-N -1 1 354.409 1.465 20 5 FDBDMM CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000412431580 679182663 /nfs/dbraw/zinc/18/26/63/679182663.db2.gz XZTNQSQDMNKHFZ-MRXNPFEDSA-N -1 1 351.359 1.889 20 5 FDBDMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000433451934 681189299 /nfs/dbraw/zinc/18/92/99/681189299.db2.gz SQTYXMKKBSAABQ-JQWIXIFHSA-N -1 1 364.807 1.721 20 5 FDBDMM CSCC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443501862 682312533 /nfs/dbraw/zinc/31/25/33/682312533.db2.gz NTXZSTHVDXRFTO-MRVPVSSYSA-N -1 1 354.837 1.641 20 5 FDBDMM CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451775075 682935641 /nfs/dbraw/zinc/93/56/41/682935641.db2.gz NWPNXZIJZLBZNP-JOYOIKCWSA-N -1 1 364.807 1.578 20 5 FDBDMM CNc1nc(C(=O)[N-]c2nnc(C3CCOCC3)s2)ccc1[N+](=O)[O-] ZINC000456027077 683559203 /nfs/dbraw/zinc/55/92/03/683559203.db2.gz GCUHAYBSVNNLFE-UHFFFAOYSA-N -1 1 364.387 2.029 20 5 FDBDMM CCN1CCN(CC(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000456876855 683688469 /nfs/dbraw/zinc/68/84/69/683688469.db2.gz BNSMZZQZYGKLSC-UHFFFAOYSA-N -1 1 350.419 1.446 20 5 FDBDMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000467423683 684860120 /nfs/dbraw/zinc/86/01/20/684860120.db2.gz DGHPYHFYZGUTPS-UHFFFAOYSA-N -1 1 360.369 1.823 20 5 FDBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c[nH]c(=O)cc2C)c([N+](=O)[O-])c1 ZINC000469089949 684948474 /nfs/dbraw/zinc/94/84/74/684948474.db2.gz UZAILJPVVDLBGF-UHFFFAOYSA-N -1 1 367.339 1.591 20 5 FDBDMM COC(=O)CCc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2OC)s1 ZINC000476091664 685677111 /nfs/dbraw/zinc/67/71/11/685677111.db2.gz QAXJTVXBHMUEAJ-UHFFFAOYSA-N -1 1 366.355 1.813 20 5 FDBDMM O=C(NCCN1CCc2ccccc2C1=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000471354798 771973013 /nfs/dbraw/zinc/97/30/13/771973013.db2.gz WGHVVXCOOLTGLW-UHFFFAOYSA-N -1 1 356.338 1.124 20 5 FDBDMM O=C(Cc1ccccc1)N1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000375964287 785392171 /nfs/dbraw/zinc/39/21/71/785392171.db2.gz NCXMTAVTMIMDNO-AWEZNQCLSA-N -1 1 370.365 1.269 20 5 FDBDMM Cn1cc([C@H]2[C@H](CNC(=O)c3cccc([N+](=O)[O-])c3[O-])CCCN2C)cn1 ZINC000363917080 794563982 /nfs/dbraw/zinc/56/39/82/794563982.db2.gz GJDIIRYVOWNGGT-BLLLJJGKSA-N -1 1 373.413 1.847 20 5 FDBDMM CCOC(=O)Cn1cnc([N-]C(=O)c2cc(OCC)ccc2[N+](=O)[O-])n1 ZINC000425095826 815607983 /nfs/dbraw/zinc/60/79/83/815607983.db2.gz CKDUSBJXODNKBP-UHFFFAOYSA-N -1 1 363.330 1.400 20 5 FDBDMM CCN(Cc1ccccc1)C(=O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000517089181 817222965 /nfs/dbraw/zinc/22/29/65/817222965.db2.gz CMGQHANSDQOBOF-UHFFFAOYSA-N -1 1 358.354 1.474 20 5 FDBDMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293821976 818464335 /nfs/dbraw/zinc/46/43/35/818464335.db2.gz ZNMLNKMSRIZNAP-QWRGUYRKSA-N -1 1 364.402 1.803 20 5 FDBDMM COC(=O)COc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445000986 828233686 /nfs/dbraw/zinc/23/36/86/828233686.db2.gz RIAPTBXCEHXNQR-UHFFFAOYSA-N -1 1 361.310 1.177 20 5 FDBDMM CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OC ZINC000828049224 848661607 /nfs/dbraw/zinc/66/16/07/848661607.db2.gz OLXIADGBVIZJBI-ZETCQYMHSA-N -1 1 368.770 1.865 20 5 FDBDMM Cc1cc(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])[C@H](C)C2)n[nH]1 ZINC000457251344 867360835 /nfs/dbraw/zinc/36/08/35/867360835.db2.gz DGGAUZYUALMGRF-LLVKDONJSA-N -1 1 373.369 1.319 20 5 FDBDMM Cn1ccnc1[C@](O)(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C(F)(F)F ZINC000761442233 868615329 /nfs/dbraw/zinc/61/53/29/868615329.db2.gz KDFWBENSLLYAHF-GFCCVEGCSA-N -1 1 372.263 1.699 20 5 FDBDMM O=C(NCCS(=O)(=O)Cc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000917118999 883042467 /nfs/dbraw/zinc/04/24/67/883042467.db2.gz NJPXBYJVXGXCNN-UHFFFAOYSA-N -1 1 365.367 1.040 20 5 FDBDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c(=O)n(C)c1 ZINC000765144728 906434573 /nfs/dbraw/zinc/43/45/73/906434573.db2.gz YSSLFWXRFWZJAM-UHFFFAOYSA-N -1 1 355.347 1.850 20 5 FDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1F ZINC000921614253 908582552 /nfs/dbraw/zinc/58/25/52/908582552.db2.gz KJQMNYCGPQUYGK-TUAOUCFPSA-N -1 1 356.375 1.912 20 5 FDBDMM CC(C)(C)OC(=O)N(CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC000727488291 910964317 /nfs/dbraw/zinc/96/43/17/910964317.db2.gz NWOZOLJMZYWQKF-UHFFFAOYSA-N -1 1 366.374 1.825 20 5 FDBDMM CCc1cc(CNS(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000737896054 927991734 /nfs/dbraw/zinc/99/17/34/927991734.db2.gz DUGSYABLVXKNJA-UHFFFAOYSA-N -1 1 368.371 1.365 20 5 FDBDMM CC[C@](C)(CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1OCCO1 ZINC000770567367 930120125 /nfs/dbraw/zinc/12/01/25/930120125.db2.gz DQWDATDQXAWXDA-MRXNPFEDSA-N -1 1 353.375 1.995 20 5 FDBDMM Cn1[n-]cc2c(=NC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)ccnc1-2 ZINC000806491636 939943617 /nfs/dbraw/zinc/94/36/17/939943617.db2.gz OWSRKWOTTSIDFI-UHFFFAOYSA-N -1 1 368.353 1.545 20 5 FDBDMM O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000747473816 940535452 /nfs/dbraw/zinc/53/54/52/940535452.db2.gz LZHAANMCRCAAJN-OAHLLOKOSA-N -1 1 372.316 1.532 20 5 FDBDMM COC(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809807998 940899255 /nfs/dbraw/zinc/89/92/55/940899255.db2.gz WMPPNMIZKBNVKG-YFKPBYRVSA-N -1 1 357.171 1.741 20 5 FDBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810899372 941072806 /nfs/dbraw/zinc/07/28/06/941072806.db2.gz IOEXPOIAFAGVAW-SNVBAGLBSA-N -1 1 374.319 1.829 20 5 FDBDMM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000820001742 943857029 /nfs/dbraw/zinc/85/70/29/943857029.db2.gz ARWJJJIJQCYWSM-UHFFFAOYSA-N -1 1 369.355 1.747 20 5 FDBDMM CN1CCN(c2ccnc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])c2)CC1 ZINC001171050158 946268569 /nfs/dbraw/zinc/26/85/69/946268569.db2.gz AYLPCOLCPYAWKW-UHFFFAOYSA-N -1 1 357.370 1.700 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000845979962 950262972 /nfs/dbraw/zinc/26/29/72/950262972.db2.gz PECVMMVLXJHQSV-NHYWBVRUSA-N -1 1 351.384 1.564 20 5 FDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC12OCCO2 ZINC000715962865 958526477 /nfs/dbraw/zinc/52/64/77/958526477.db2.gz AFHFXXFZKNOQKK-LBPRGKRZSA-N -1 1 362.791 1.822 20 5 FDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(Cc2ccc(O)cc2)CC1 ZINC001171541831 961203570 /nfs/dbraw/zinc/20/35/70/961203570.db2.gz NCINGLLBOPAWOA-UHFFFAOYSA-N -1 1 358.354 1.359 20 5 FDBDMM O=C([O-])c1cn(C2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC001347089540 962382024 /nfs/dbraw/zinc/38/20/24/962382024.db2.gz BQQCHHHLRVTXSB-HNNXBMFYSA-N -1 1 361.358 1.255 20 5 FDBDMM CC(C)Oc1cc(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)ccc1[N+](=O)[O-] ZINC001177870675 963986374 /nfs/dbraw/zinc/98/63/74/963986374.db2.gz MFNLHTSSCUBDMU-LBPRGKRZSA-N -1 1 374.401 1.990 20 5 FDBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC001193101788 969468387 /nfs/dbraw/zinc/46/83/87/969468387.db2.gz XHNLLBHYXLNWSS-UHFFFAOYSA-N -1 1 354.340 1.746 20 5 FDBDMM Cn1c(=O)oc2ccc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC001193402507 969682502 /nfs/dbraw/zinc/68/25/02/969682502.db2.gz MCYNAMGAKOAQFZ-UHFFFAOYSA-N -1 1 369.380 1.580 20 5 FDBDMM COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000776269680 975281459 /nfs/dbraw/zinc/28/14/59/975281459.db2.gz NDDJMUOWDDYSSO-ZJUUUORDSA-N -1 1 352.347 1.292 20 5 FDBDMM CC(C)Oc1cccc([C@H](O)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000776348712 976091361 /nfs/dbraw/zinc/09/13/61/976091361.db2.gz DGESYZYQGHYKMY-OAHLLOKOSA-N -1 1 361.354 1.946 20 5 FDBDMM CO[C@](C)(CO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000848467693 976790967 /nfs/dbraw/zinc/79/09/67/976790967.db2.gz UDDLBUBLCAYCON-NSHDSACASA-N -1 1 373.214 1.577 20 5 FDBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(OC)OC ZINC000849405327 977517636 /nfs/dbraw/zinc/51/76/36/977517636.db2.gz GOWLSNLMXNGMEP-SECBINFHSA-N -1 1 352.796 1.924 20 5 FDBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(OC)OC ZINC000849407667 977522100 /nfs/dbraw/zinc/52/21/00/977522100.db2.gz UZLVIBVNAPRGAY-SECBINFHSA-N -1 1 352.796 1.924 20 5 FDBDMM COC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000851873943 979141304 /nfs/dbraw/zinc/14/13/04/979141304.db2.gz VBALHYZUSYRTEC-LJGSYFOKSA-N -1 1 366.754 1.617 20 5 FDBDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000859054863 982487851 /nfs/dbraw/zinc/48/78/51/982487851.db2.gz FAWKNUCZIAIFTE-SECBINFHSA-N -1 1 369.359 1.584 20 5 FDBDMM Cn1c(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nnc1C(F)F ZINC000826356538 982559542 /nfs/dbraw/zinc/55/95/42/982559542.db2.gz VNJCXFOIAADVKC-UHFFFAOYSA-N -1 1 355.290 1.387 20 5 FDBDMM Cn1c(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nnc1C(F)F ZINC000826356538 982559547 /nfs/dbraw/zinc/55/95/47/982559547.db2.gz VNJCXFOIAADVKC-UHFFFAOYSA-N -1 1 355.290 1.387 20 5 FDBDMM CCNC(=O)[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C(C)C ZINC001596478329 984206490 /nfs/dbraw/zinc/20/64/90/984206490.db2.gz RBWVBYUGXVOBJO-HNNXBMFYSA-N -1 1 353.375 1.309 20 5 FDBDMM CCOC(=O)c1cnn(CCOc2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000825570035 987094373 /nfs/dbraw/zinc/09/43/73/987094373.db2.gz DTMNNWWFTYLRPR-UHFFFAOYSA-N -1 1 373.329 1.227 20 5 FDBDMM COc1ccc(-n2cc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)nn2)cc1 ZINC000365631709 987932162 /nfs/dbraw/zinc/93/21/62/987932162.db2.gz AGDMYLVTJNHVAH-UHFFFAOYSA-N -1 1 370.325 1.215 20 5 FDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000299276268 988284690 /nfs/dbraw/zinc/28/46/90/988284690.db2.gz NUCVKNULRJAMLE-UHFFFAOYSA-N -1 1 362.386 1.560 20 5 FDBDMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000299451835 988491278 /nfs/dbraw/zinc/49/12/78/988491278.db2.gz KDHULHYDORBYQW-NEPJUHHUSA-N -1 1 364.402 1.852 20 5 FDBDMM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001599822281 988534919 /nfs/dbraw/zinc/53/49/19/988534919.db2.gz GPYHDXBWDIPPPE-NSHDSACASA-N -1 1 350.356 1.466 20 5 FDBDMM CCOC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)Cc2ccccc21 ZINC000362217869 988607100 /nfs/dbraw/zinc/60/71/00/988607100.db2.gz GHVZHFYVDFUPOH-OAHLLOKOSA-N -1 1 371.349 1.998 20 5 FDBDMM COc1ccccc1N1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1=O ZINC000373099399 991919531 /nfs/dbraw/zinc/91/95/31/991919531.db2.gz NACAJEZEBJDILF-LLVKDONJSA-N -1 1 372.337 1.239 20 5 FDBDMM CN(CCN1CCCC1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001598487853 992232951 /nfs/dbraw/zinc/23/29/51/992232951.db2.gz NPEMXIVLWVEFSV-UHFFFAOYSA-N -1 1 357.388 1.009 20 5 FDBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001599622616 994104854 /nfs/dbraw/zinc/10/48/54/994104854.db2.gz WAWZXPXEZGLYCW-CKYFFXLPSA-N -1 1 351.359 1.583 20 5 FDBDMM COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C(=O)[O-])C1 ZINC001598803033 996157407 /nfs/dbraw/zinc/15/74/07/996157407.db2.gz JLAOVAIVYWCNOP-GXFFZTMASA-N -1 1 352.343 1.442 20 5 FDBDMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CCN1C ZINC001594264166 999020487 /nfs/dbraw/zinc/02/04/87/999020487.db2.gz MMPJTOCJDLLNLO-NXEZZACHSA-N -1 1 357.388 1.054 20 5 FDBDMM O=C(NCc1ccncc1OC[C@H]1CCOC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000288712536 1000039858 /nfs/dbraw/zinc/03/98/58/1000039858.db2.gz VYXNIOYDLQHMLH-NSHDSACASA-N -1 1 374.353 1.436 20 5 FDBDMM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193746096 178178809 /nfs/dbraw/zinc/17/88/09/178178809.db2.gz FLEOOIZKRUMOOR-UHFFFAOYSA-N -1 1 359.264 1.720 20 5 FDBDMM CN1C(=S)N=NC1C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000264700995 179173088 /nfs/dbraw/zinc/17/30/88/179173088.db2.gz WNUIDPHSJAZFOD-UHFFFAOYSA-N -1 1 364.387 1.132 20 5 FDBDMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000274941448 181201689 /nfs/dbraw/zinc/20/16/89/181201689.db2.gz FQORPBBAJBMWSM-VXGBXAGGSA-N -1 1 364.402 1.852 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)c([N+](=O)[O-])n1 ZINC000533175354 540210834 /nfs/dbraw/zinc/21/08/34/540210834.db2.gz RRGBEETUDLUJSI-UHFFFAOYSA-N -1 1 360.342 1.610 20 5 FDBDMM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000275178325 181255920 /nfs/dbraw/zinc/25/59/20/181255920.db2.gz XQNGURHIZPXPTB-LLVKDONJSA-N -1 1 366.374 1.729 20 5 FDBDMM Cn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000275283625 181279466 /nfs/dbraw/zinc/27/94/66/181279466.db2.gz KUBOHLMMLFVLKN-GWCFXTLKSA-N -1 1 370.362 1.276 20 5 FDBDMM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000533551683 540263587 /nfs/dbraw/zinc/26/35/87/540263587.db2.gz LLLDLVCKYSIHIH-CYBMUJFWSA-N -1 1 370.358 1.754 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2nc3cc(C)ccc3[nH]2)c([N+](=O)[O-])n1 ZINC000533633917 540273458 /nfs/dbraw/zinc/27/34/58/540273458.db2.gz MNONDJPFMCUCRK-UHFFFAOYSA-N -1 1 364.387 1.474 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccco1 ZINC000534406126 540365024 /nfs/dbraw/zinc/36/50/24/540365024.db2.gz PIFCIPKVUYDTCZ-JTQLQIEISA-N -1 1 374.802 1.971 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cnc(C3CC3)nc2)s1 ZINC000534408455 540365508 /nfs/dbraw/zinc/36/55/08/540365508.db2.gz XALMMFBBQWMFQB-UHFFFAOYSA-N -1 1 354.413 1.845 20 5 FDBDMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000534900628 540425523 /nfs/dbraw/zinc/42/55/23/540425523.db2.gz TWBMFERGXIKJKI-SSDOTTSWSA-N -1 1 372.733 1.723 20 5 FDBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000539151035 540928452 /nfs/dbraw/zinc/92/84/52/540928452.db2.gz DNKRXQYVOBIMBM-UHFFFAOYSA-N -1 1 368.346 1.940 20 5 FDBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)c1 ZINC000541777902 541263617 /nfs/dbraw/zinc/26/36/17/541263617.db2.gz PGNQMYAJVZLWAE-UHFFFAOYSA-N -1 1 374.382 1.988 20 5 FDBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N(C)C1CC1 ZINC000545546246 541997061 /nfs/dbraw/zinc/99/70/61/541997061.db2.gz QWSYDIBBUUCQBM-SECBINFHSA-N -1 1 371.415 1.362 20 5 FDBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(=O)n2[n-]cnc2n1 ZINC000546090752 542095201 /nfs/dbraw/zinc/09/52/01/542095201.db2.gz SOPVKAMVHUEIGM-UHFFFAOYSA-N -1 1 356.342 1.079 20 5 FDBDMM Cn1cc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000293987278 258906985 /nfs/dbraw/zinc/90/69/85/258906985.db2.gz ISXGUFCOEZKAGR-UHFFFAOYSA-N -1 1 364.305 1.826 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])n1 ZINC000407990973 262066385 /nfs/dbraw/zinc/06/63/85/262066385.db2.gz RHVIDODWYRJYHG-CYZMBNFOSA-N -1 1 370.431 1.437 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])n1 ZINC000410173371 262157527 /nfs/dbraw/zinc/15/75/27/262157527.db2.gz XLRYZNHWLKAXAF-RKDXNWHRSA-N -1 1 368.362 1.640 20 5 FDBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1sc(N(C)C)nc1[O-] ZINC000028757223 519249486 /nfs/dbraw/zinc/24/94/86/519249486.db2.gz KXEUYBZMKHOHOK-LLVKDONJSA-N -1 1 352.372 1.492 20 5 FDBDMM O=C(NCc1ccccc1CN1CCCC1=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000029837229 519324961 /nfs/dbraw/zinc/32/49/61/519324961.db2.gz ADNZMEQMKCCMDY-UHFFFAOYSA-N -1 1 370.365 1.336 20 5 FDBDMM O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000030118573 519346154 /nfs/dbraw/zinc/34/61/54/519346154.db2.gz GDGPRMZLWDFWOE-UHFFFAOYSA-N -1 1 370.365 1.952 20 5 FDBDMM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 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CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000271597394 537462622 /nfs/dbraw/zinc/46/26/22/537462622.db2.gz AEHOYHHIRJYEJM-XVKPBYJWSA-N -1 1 354.837 1.639 20 5 FDBDMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000274143410 537520380 /nfs/dbraw/zinc/52/03/80/537520380.db2.gz CMKTZGAJJGCHEE-QMMMGPOBSA-N -1 1 374.268 1.506 20 5 FDBDMM O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277206144 537606928 /nfs/dbraw/zinc/60/69/28/537606928.db2.gz YIEQHQGCOBOCAY-ZDUSSCGKSA-N -1 1 362.386 1.749 20 5 FDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000376074811 537830467 /nfs/dbraw/zinc/83/04/67/537830467.db2.gz RAZWDPKAWPWRAH-CABCVRRESA-N -1 1 357.366 1.934 20 5 FDBDMM Cc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000444441371 538166207 /nfs/dbraw/zinc/16/62/07/538166207.db2.gz LGNFOXCWJYPUIU-UHFFFAOYSA-N -1 1 365.367 1.337 20 5 FDBDMM NC(=O)CN(CCC1CCCCC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 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CCn1cc(S(=O)(=O)[N-]CC2(O)CCC(C)(C)CC2)c([N+](=O)[O-])n1 ZINC000595351670 552534128 /nfs/dbraw/zinc/53/41/28/552534128.db2.gz JWELHKTVTBIEND-UHFFFAOYSA-N -1 1 360.436 1.421 20 5 FDBDMM COc1ccc(NC(=O)CCN(C)Cc2n[n-]c(=O)o2)c([N+](=O)[O-])c1 ZINC000595546358 552581814 /nfs/dbraw/zinc/58/18/14/552581814.db2.gz GAIFTBXDPKKWCA-UHFFFAOYSA-N -1 1 351.319 1.153 20 5 FDBDMM O=[N+]([O-])c1c([N-]c2cnn(CC(F)F)c2)ncnc1N1CCOCC1 ZINC000598599341 552913427 /nfs/dbraw/zinc/91/34/27/552913427.db2.gz ZXHSUHXZQWUPBJ-UHFFFAOYSA-N -1 1 355.305 1.427 20 5 FDBDMM COC(=O)c1coc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598615647 552916203 /nfs/dbraw/zinc/91/62/03/552916203.db2.gz QQBGYTWWYYPLDR-UHFFFAOYSA-N -1 1 369.355 1.465 20 5 FDBDMM CCc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599226805 552993397 /nfs/dbraw/zinc/99/33/97/552993397.db2.gz IFBYCSYLURJJGB-LBPRGKRZSA-N -1 1 366.399 1.693 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000599263278 553007544 /nfs/dbraw/zinc/00/75/44/553007544.db2.gz DEJJASKTFMVLFR-YGWIHHTISA-N -1 1 372.428 1.105 20 5 FDBDMM COC(=O)[C@](C)([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599485558 553070466 /nfs/dbraw/zinc/07/04/66/553070466.db2.gz FWVKVQQYROQKDF-DZGCQCFKSA-N -1 1 372.399 1.081 20 5 FDBDMM COc1ccc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000600874734 553323321 /nfs/dbraw/zinc/32/33/21/553323321.db2.gz MMKWYFFVTAFJHF-UHFFFAOYSA-N -1 1 351.359 1.224 20 5 FDBDMM C[C@@H]1CN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cn2)CCO1 ZINC000603672994 553808991 /nfs/dbraw/zinc/80/89/91/553808991.db2.gz FKOORNLAABBQLY-LLVKDONJSA-N -1 1 373.369 1.246 20 5 FDBDMM C[C@@H](Nc1ccc(C(=O)NCc2nn[n-]n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000609493617 554384411 /nfs/dbraw/zinc/38/44/11/554384411.db2.gz OPUDJZBXTGSDPG-SNVBAGLBSA-N -1 1 368.357 1.606 20 5 FDBDMM O=C(NCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(F)cc1 ZINC000609549830 554391872 /nfs/dbraw/zinc/39/18/72/554391872.db2.gz MZGGGQQDWHYBJX-UHFFFAOYSA-N -1 1 362.317 1.384 20 5 FDBDMM O=C(CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2ccccc21 ZINC000609555477 554392347 /nfs/dbraw/zinc/39/23/47/554392347.db2.gz YVCUNECPAMQSSK-UHFFFAOYSA-N -1 1 370.365 1.795 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nnnn1C1CC1 ZINC000610269131 554485370 /nfs/dbraw/zinc/48/53/70/554485370.db2.gz LOCRNFGNMPMONK-UHFFFAOYSA-N -1 1 358.767 1.048 20 5 FDBDMM CCOC(=O)c1sc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc1C ZINC000610551268 554526941 /nfs/dbraw/zinc/52/69/41/554526941.db2.gz VYYMVRVCELUPOB-UHFFFAOYSA-N -1 1 366.355 1.567 20 5 FDBDMM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C2 ZINC000612143729 554740913 /nfs/dbraw/zinc/74/09/13/554740913.db2.gz HGYBCBXPBQNUGR-ZDUSSCGKSA-N -1 1 363.395 1.834 20 5 FDBDMM CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618346559 555620216 /nfs/dbraw/zinc/62/02/16/555620216.db2.gz MWTUKYNFIRRGIB-UHFFFAOYSA-N -1 1 370.365 1.860 20 5 FDBDMM 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/nfs/dbraw/zinc/70/05/26/606700526.db2.gz YAPLDSQHRAHTCQ-JTQLQIEISA-N -1 1 368.357 1.287 20 5 FDBDMM O=C(CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])NCc1ccccc1 ZINC000822969632 606705622 /nfs/dbraw/zinc/70/56/22/606705622.db2.gz UQWNGVNDGVTBKB-UHFFFAOYSA-N -1 1 368.357 1.288 20 5 FDBDMM O=C(CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])NCc1ccccc1 ZINC000822969632 606705624 /nfs/dbraw/zinc/70/56/24/606705624.db2.gz UQWNGVNDGVTBKB-UHFFFAOYSA-N -1 1 368.357 1.288 20 5 FDBDMM CC(C)c1nc2c(n1C)CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000820202305 606708165 /nfs/dbraw/zinc/70/81/65/606708165.db2.gz GQKHZFVBUZNBRY-UHFFFAOYSA-N -1 1 369.389 1.590 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](CCO)c1ccccc1 ZINC000823620271 606712352 /nfs/dbraw/zinc/71/23/52/606712352.db2.gz JHTURVBPVXLYFZ-GFCCVEGCSA-N -1 1 355.358 1.748 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](CCO)c1ccccc1 ZINC000823620271 606712353 /nfs/dbraw/zinc/71/23/53/606712353.db2.gz JHTURVBPVXLYFZ-GFCCVEGCSA-N -1 1 355.358 1.748 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/nfs/dbraw/zinc/86/09/18/599860918.db2.gz PWAHCPVUFVTGFR-HNNXBMFYSA-N -1 1 359.338 1.618 20 5 FDBDMM Cc1cc(CN2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)on1 ZINC000826266145 607450643 /nfs/dbraw/zinc/45/06/43/607450643.db2.gz DFHSZXWUWCRCKA-UHFFFAOYSA-N -1 1 370.373 1.394 20 5 FDBDMM CN(Cc1nnc2ccccn21)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825999179 607452036 /nfs/dbraw/zinc/45/20/36/607452036.db2.gz PIVXEAGTUTZIGV-UHFFFAOYSA-N -1 1 351.330 1.454 20 5 FDBDMM CN(Cc1nnc2ccccn21)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825999179 607452038 /nfs/dbraw/zinc/45/20/38/607452038.db2.gz PIVXEAGTUTZIGV-UHFFFAOYSA-N -1 1 351.330 1.454 20 5 FDBDMM Cc1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000832945500 601123781 /nfs/dbraw/zinc/12/37/81/601123781.db2.gz FSNFVDDXTXVAMO-GFCCVEGCSA-N -1 1 350.375 1.916 20 5 FDBDMM CCOC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC000825523886 607567116 /nfs/dbraw/zinc/56/71/16/607567116.db2.gz XIADZBSPZAXSPV-JTQLQIEISA-N -1 1 361.362 1.490 20 5 FDBDMM CC(C)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824192666 607638850 /nfs/dbraw/zinc/63/88/50/607638850.db2.gz LAWDZVYNDQYRHY-SECBINFHSA-N -1 1 354.392 1.345 20 5 FDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000833626146 605161939 /nfs/dbraw/zinc/16/19/39/605161939.db2.gz OKYUVKWIKDUOJV-SNVBAGLBSA-N -1 1 355.778 1.869 20 5 FDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000833627515 605165844 /nfs/dbraw/zinc/16/58/44/605165844.db2.gz XCIPYITXCFBZIT-SNVBAGLBSA-N -1 1 355.778 1.869 20 5 FDBDMM CNc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1[N+](=O)[O-] ZINC000833700836 605207026 /nfs/dbraw/zinc/20/70/26/605207026.db2.gz QJQICUNUCRYANC-LLVKDONJSA-N -1 1 350.375 1.258 20 5 FDBDMM CC(C)c1[nH]nc(C(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824452857 605465148 /nfs/dbraw/zinc/46/51/48/605465148.db2.gz CBFGJDRQFUUZPV-JTQLQIEISA-N -1 1 351.363 1.798 20 5 FDBDMM O=C([O-])N[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000740596520 605917354 /nfs/dbraw/zinc/91/73/54/605917354.db2.gz MRVLNFHNWULWFQ-JTQLQIEISA-N -1 1 350.331 1.235 20 5 FDBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821615691 606162613 /nfs/dbraw/zinc/16/26/13/606162613.db2.gz JBAWHQLNNSGABE-UHFFFAOYSA-N -1 1 357.334 1.172 20 5 FDBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821615691 606162614 /nfs/dbraw/zinc/16/26/14/606162614.db2.gz JBAWHQLNNSGABE-UHFFFAOYSA-N -1 1 357.334 1.172 20 5 FDBDMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820380002 606167893 /nfs/dbraw/zinc/16/78/93/606167893.db2.gz JTQSGIKPVHIPTB-MRVPVSSYSA-N -1 1 357.334 1.391 20 5 FDBDMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820380002 606167894 /nfs/dbraw/zinc/16/78/94/606167894.db2.gz JTQSGIKPVHIPTB-MRVPVSSYSA-N -1 1 357.334 1.391 20 5 FDBDMM Cc1ccc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822241054 606444036 /nfs/dbraw/zinc/44/40/36/606444036.db2.gz JRZMODXLZCEJEM-UHFFFAOYSA-N -1 1 357.378 1.458 20 5 FDBDMM Cc1ccc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822241054 606444037 /nfs/dbraw/zinc/44/40/37/606444037.db2.gz JRZMODXLZCEJEM-UHFFFAOYSA-N -1 1 357.378 1.458 20 5 FDBDMM Cc1cccc([N+](=O)[O-])c1N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822331259 606444190 /nfs/dbraw/zinc/44/41/90/606444190.db2.gz AHLMJQHSRFLWOQ-UHFFFAOYSA-N -1 1 357.378 1.458 20 5 FDBDMM Cc1cccc([N+](=O)[O-])c1N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822331259 606444191 /nfs/dbraw/zinc/44/41/91/606444191.db2.gz AHLMJQHSRFLWOQ-UHFFFAOYSA-N -1 1 357.378 1.458 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CCN(c2ncccn2)CC1 ZINC000823620284 606698388 /nfs/dbraw/zinc/69/83/88/606698388.db2.gz JLTBTFUBOMXFLJ-UHFFFAOYSA-N -1 1 368.361 1.041 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CCN(c2ncccn2)CC1 ZINC000823620284 606698389 /nfs/dbraw/zinc/69/83/89/606698389.db2.gz JLTBTFUBOMXFLJ-UHFFFAOYSA-N -1 1 368.361 1.041 20 5 FDBDMM COc1c(C)cnc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1C ZINC000821698622 606704786 /nfs/dbraw/zinc/70/47/86/606704786.db2.gz RKUXXOIGSQMRNQ-UHFFFAOYSA-N -1 1 370.373 1.827 20 5 FDBDMM COc1c(C)cnc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1C ZINC000821698622 606704788 /nfs/dbraw/zinc/70/47/88/606704788.db2.gz RKUXXOIGSQMRNQ-UHFFFAOYSA-N -1 1 370.373 1.827 20 5 FDBDMM CCCOc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000821134424 606709277 /nfs/dbraw/zinc/70/92/77/606709277.db2.gz UDGLGRYORAYGMP-UHFFFAOYSA-N -1 1 356.346 1.966 20 5 FDBDMM CCCOc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000821134424 606709278 /nfs/dbraw/zinc/70/92/78/606709278.db2.gz UDGLGRYORAYGMP-UHFFFAOYSA-N -1 1 356.346 1.966 20 5 FDBDMM Cc1ncc2c(n1)CCC[C@@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822471761 606710891 /nfs/dbraw/zinc/71/08/91/606710891.db2.gz JGBNKDWKDUCVAS-LBPRGKRZSA-N -1 1 353.346 1.758 20 5 FDBDMM Cc1ncc2c(n1)CCC[C@@H]2Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822471761 606710892 /nfs/dbraw/zinc/71/08/92/606710892.db2.gz JGBNKDWKDUCVAS-LBPRGKRZSA-N -1 1 353.346 1.758 20 5 FDBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000820776954 606714784 /nfs/dbraw/zinc/71/47/84/606714784.db2.gz OBWJIEDUAIYDIL-HTRCEHHLSA-N -1 1 359.268 1.326 20 5 FDBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000820776954 606714785 /nfs/dbraw/zinc/71/47/85/606714785.db2.gz OBWJIEDUAIYDIL-HTRCEHHLSA-N -1 1 359.268 1.326 20 5 FDBDMM CN(Cc1ccc([S@@](C)=O)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821612429 606715308 /nfs/dbraw/zinc/71/53/08/606715308.db2.gz UZPNNDDKRQPEKR-AREMUKBSSA-N -1 1 373.398 1.544 20 5 FDBDMM CN(Cc1ccc([S@@](C)=O)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821612429 606715309 /nfs/dbraw/zinc/71/53/09/606715309.db2.gz UZPNNDDKRQPEKR-AREMUKBSSA-N -1 1 373.398 1.544 20 5 FDBDMM C[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000820727456 606719424 /nfs/dbraw/zinc/71/94/24/606719424.db2.gz MBFSJOQSMMTTDW-ZYHUDNBSSA-N -1 1 355.362 1.454 20 5 FDBDMM CC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820979713 606732229 /nfs/dbraw/zinc/73/22/29/606732229.db2.gz JKYLRDIOJJORLA-JTQLQIEISA-N -1 1 366.403 1.586 20 5 FDBDMM CC[C@@]1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820950967 606736246 /nfs/dbraw/zinc/73/62/46/606736246.db2.gz TWZSQBGIJHOPTN-AWEZNQCLSA-N -1 1 366.403 1.586 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2ccc(F)cc2)CC1 ZINC000823621198 607162229 /nfs/dbraw/zinc/16/22/29/607162229.db2.gz ZBIGBTXXKPRDGS-UHFFFAOYSA-N -1 1 370.348 1.636 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2ccc(F)cc2)CC1 ZINC000823621198 607162230 /nfs/dbraw/zinc/16/22/30/607162230.db2.gz ZBIGBTXXKPRDGS-UHFFFAOYSA-N -1 1 370.348 1.636 20 5 FDBDMM CS(=O)(=O)c1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821938186 607162738 /nfs/dbraw/zinc/16/27/38/607162738.db2.gz XPPYMQQSLNJCGZ-UHFFFAOYSA-N -1 1 362.327 1.366 20 5 FDBDMM CS(=O)(=O)c1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821938186 607162739 /nfs/dbraw/zinc/16/27/39/607162739.db2.gz XPPYMQQSLNJCGZ-UHFFFAOYSA-N -1 1 362.327 1.366 20 5 FDBDMM CN(CC(=O)Nc1cccc(F)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821593971 607162744 /nfs/dbraw/zinc/16/27/44/607162744.db2.gz RXVGWAHCRWXRIS-UHFFFAOYSA-N -1 1 372.320 1.384 20 5 FDBDMM CN(CC(=O)Nc1cccc(F)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821593971 607162745 /nfs/dbraw/zinc/16/27/45/607162745.db2.gz RXVGWAHCRWXRIS-UHFFFAOYSA-N -1 1 372.320 1.384 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(Cc2ccsc2)CC1 ZINC000823620589 607165446 /nfs/dbraw/zinc/16/54/46/607165446.db2.gz MYJHQJXRPJXYAC-UHFFFAOYSA-N -1 1 372.414 1.554 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2cccc(O)c2)CC1 ZINC000823619809 607165493 /nfs/dbraw/zinc/16/54/93/607165493.db2.gz BGKYZXFHACVSNC-UHFFFAOYSA-N -1 1 368.357 1.202 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2cccc(O)c2)CC1 ZINC000823619809 607165495 /nfs/dbraw/zinc/16/54/95/607165495.db2.gz BGKYZXFHACVSNC-UHFFFAOYSA-N -1 1 368.357 1.202 20 5 FDBDMM Cc1cccn2cc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])nc12 ZINC000826308054 608409047 /nfs/dbraw/zinc/40/90/47/608409047.db2.gz HMNUSWCRRJXDNV-UHFFFAOYSA-N -1 1 351.330 1.738 20 5 FDBDMM Cc1cccn2cc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])nc12 ZINC000826308054 608409050 /nfs/dbraw/zinc/40/90/50/608409050.db2.gz HMNUSWCRRJXDNV-UHFFFAOYSA-N -1 1 351.330 1.738 20 5 FDBDMM CC1(C)CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824801089 608562967 /nfs/dbraw/zinc/56/29/67/608562967.db2.gz AJQYLABZQJUUQI-SECBINFHSA-N -1 1 366.403 1.632 20 5 FDBDMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000028677437 670795815 /nfs/dbraw/zinc/79/58/15/670795815.db2.gz WQLNFFHMICMFAL-UHFFFAOYSA-N -1 1 364.335 1.778 20 5 FDBDMM CCNC(=O)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000119570385 671676270 /nfs/dbraw/zinc/67/62/70/671676270.db2.gz 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598995929 /nfs/dbraw/zinc/99/59/29/598995929.db2.gz XHTHYASXQYYGIS-UHFFFAOYSA-N -1 1 355.314 1.109 20 5 FDBDMM CCc1nn(Cc2cc(F)ccc2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706013 598642201 /nfs/dbraw/zinc/64/22/01/598642201.db2.gz FNHKHPDQCYVHKI-UHFFFAOYSA-N -1 1 373.348 1.644 20 5 FDBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000832481419 601920382 /nfs/dbraw/zinc/92/03/82/601920382.db2.gz GOJSHIDTDKQSAR-MGPLVRAMSA-N -1 1 351.359 1.727 20 5 FDBDMM CCCN(CC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825307716 607575560 /nfs/dbraw/zinc/57/55/60/607575560.db2.gz NJCWOYZWIUQORH-UHFFFAOYSA-N -1 1 366.403 1.586 20 5 FDBDMM COc1ccc(CN(C)CCN2CCN(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000739908023 602871210 /nfs/dbraw/zinc/87/12/10/602871210.db2.gz KYRIUXCWKSNOBN-UHFFFAOYSA-N -1 1 352.391 1.331 20 5 FDBDMM CC[C@@H](C)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825060197 607597255 /nfs/dbraw/zinc/59/72/55/607597255.db2.gz 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ZINC000821845972 606529509 /nfs/dbraw/zinc/52/95/09/606529509.db2.gz MTWYQYHCLNCZNT-UHFFFAOYSA-N -1 1 360.355 1.775 20 5 FDBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821845972 606529510 /nfs/dbraw/zinc/52/95/10/606529510.db2.gz MTWYQYHCLNCZNT-UHFFFAOYSA-N -1 1 360.355 1.775 20 5 FDBDMM O=[N+]([O-])c1cc(N2CCCN(CC(F)(F)F)CC2)ccc1-c1nn[n-]n1 ZINC000823634472 606645246 /nfs/dbraw/zinc/64/52/46/606645246.db2.gz GRPNDLSURURGJA-UHFFFAOYSA-N -1 1 371.323 1.849 20 5 FDBDMM COCCOc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821694000 606699522 /nfs/dbraw/zinc/69/95/22/606699522.db2.gz YVLDGMSDAQKLRG-UHFFFAOYSA-N -1 1 371.357 1.807 20 5 FDBDMM COCCOc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821694000 606699524 /nfs/dbraw/zinc/69/95/24/606699524.db2.gz YVLDGMSDAQKLRG-UHFFFAOYSA-N -1 1 371.357 1.807 20 5 FDBDMM Cc1cccc(C(=O)NCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822284343 606702197 /nfs/dbraw/zinc/70/21/97/606702197.db2.gz PJJMDVMDUGYKMA-UHFFFAOYSA-N 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CC1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820595306 606736414 /nfs/dbraw/zinc/73/64/14/606736414.db2.gz HEKBSNFGBDOCLY-UHFFFAOYSA-N -1 1 352.376 1.196 20 5 FDBDMM CC(C)(C)CC(=O)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000819906413 607166897 /nfs/dbraw/zinc/16/68/97/607166897.db2.gz GDFGWVWHQWKCLY-UHFFFAOYSA-N -1 1 374.405 1.255 20 5 FDBDMM CC(C)(C)CC(=O)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000819906413 607166899 /nfs/dbraw/zinc/16/68/99/607166899.db2.gz GDFGWVWHQWKCLY-UHFFFAOYSA-N -1 1 374.405 1.255 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000823619820 607167934 /nfs/dbraw/zinc/16/79/34/607167934.db2.gz BOVDPMNMVPGKDZ-CYBMUJFWSA-N -1 1 371.332 1.887 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000823619820 607167936 /nfs/dbraw/zinc/16/79/36/607167936.db2.gz BOVDPMNMVPGKDZ-CYBMUJFWSA-N -1 1 371.332 1.887 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCOC2(CCOCC2)C1 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Cc1nn(CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000830871556 604021147 /nfs/dbraw/zinc/02/11/47/604021147.db2.gz UVUAYPZRNGIRQG-PWSUYJOCSA-N -1 1 362.390 1.974 20 5 FDBDMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820920942 606165289 /nfs/dbraw/zinc/16/52/89/606165289.db2.gz UMWQOHKQEQOBOB-GFCCVEGCSA-N -1 1 371.361 1.781 20 5 FDBDMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820920942 606165290 /nfs/dbraw/zinc/16/52/90/606165290.db2.gz UMWQOHKQEQOBOB-GFCCVEGCSA-N -1 1 371.361 1.781 20 5 FDBDMM CCOc1cc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000821399881 606441579 /nfs/dbraw/zinc/44/15/79/606441579.db2.gz DKCGSFVDWWWMJJ-UHFFFAOYSA-N -1 1 373.377 1.524 20 5 FDBDMM CCOc1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000821399881 606441580 /nfs/dbraw/zinc/44/15/80/606441580.db2.gz DKCGSFVDWWWMJJ-UHFFFAOYSA-N -1 1 373.377 1.524 20 5 FDBDMM CCn1cnnc1[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821566877 606704414 /nfs/dbraw/zinc/70/44/14/606704414.db2.gz YLGMXWDBAHXBPP-JTQLQIEISA-N -1 1 370.377 1.165 20 5 FDBDMM CCn1cnnc1[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821566877 606704416 /nfs/dbraw/zinc/70/44/16/606704416.db2.gz YLGMXWDBAHXBPP-JTQLQIEISA-N -1 1 370.377 1.165 20 5 FDBDMM Cc1nc(C[C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)no1 ZINC000822435838 606705415 /nfs/dbraw/zinc/70/54/15/606705415.db2.gz CERWRLXYSIIISV-SNVBAGLBSA-N -1 1 371.361 1.320 20 5 FDBDMM Cc1nc(C[C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)no1 ZINC000822435838 606705417 /nfs/dbraw/zinc/70/54/17/606705417.db2.gz CERWRLXYSIIISV-SNVBAGLBSA-N -1 1 371.361 1.320 20 5 FDBDMM CSC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCOCC1 ZINC000821948487 606714008 /nfs/dbraw/zinc/71/40/08/606714008.db2.gz CDXCKIXGHWJCIN-UHFFFAOYSA-N -1 1 351.392 1.494 20 5 FDBDMM CSC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCOCC1 ZINC000821948487 606714009 /nfs/dbraw/zinc/71/40/09/606714009.db2.gz CDXCKIXGHWJCIN-UHFFFAOYSA-N -1 1 351.392 1.494 20 5 FDBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H]1C ZINC000820766600 606735918 /nfs/dbraw/zinc/73/59/18/606735918.db2.gz BQNBJVSUFKMRQA-IUCAKERBSA-N -1 1 352.376 1.051 20 5 FDBDMM CC[C@@H]1C[C@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820972504 606736426 /nfs/dbraw/zinc/73/64/26/606736426.db2.gz OINNQCDUHSSVFF-VHSXEESVSA-N -1 1 366.403 1.584 20 5 FDBDMM C[C@@H](O)CCNc1cc(NCC[C@@H](C)O)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000820473723 607127225 /nfs/dbraw/zinc/12/72/25/607127225.db2.gz KMDUYHCCHQREIV-NXEZZACHSA-N -1 1 365.394 1.141 20 5 FDBDMM C[C@@H](O)CCNc1cc(NCC[C@@H](C)O)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000820473723 607127226 /nfs/dbraw/zinc/12/72/26/607127226.db2.gz KMDUYHCCHQREIV-NXEZZACHSA-N -1 1 365.394 1.141 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1COc2ccccc2O1 ZINC000823625518 607163331 /nfs/dbraw/zinc/16/33/31/607163331.db2.gz XIUOPYVCYNMBOZ-VIFPVBQESA-N -1 1 355.314 1.422 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1COc2ccccc2O1 ZINC000823625518 607163332 /nfs/dbraw/zinc/16/33/32/607163332.db2.gz XIUOPYVCYNMBOZ-VIFPVBQESA-N -1 1 355.314 1.422 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc2c(c1)OCO2 ZINC000823624937 607165318 /nfs/dbraw/zinc/16/53/18/607165318.db2.gz LJEUXMFSQMONLR-UHFFFAOYSA-N -1 1 355.314 1.553 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc2c(c1)OCO2 ZINC000823624937 607165319 /nfs/dbraw/zinc/16/53/19/607165319.db2.gz LJEUXMFSQMONLR-UHFFFAOYSA-N -1 1 355.314 1.553 20 5 FDBDMM CC(C)Oc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000820154951 607168282 /nfs/dbraw/zinc/16/82/82/607168282.db2.gz DZDBKTJGZSNOQK-UHFFFAOYSA-N -1 1 356.346 1.964 20 5 FDBDMM CC(C)Oc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000820154951 607168283 /nfs/dbraw/zinc/16/82/83/607168283.db2.gz DZDBKTJGZSNOQK-UHFFFAOYSA-N -1 1 356.346 1.964 20 5 FDBDMM CC(C)Oc1ncccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820178227 607168431 /nfs/dbraw/zinc/16/84/31/607168431.db2.gz LROQBJDTRLVNHZ-UHFFFAOYSA-N -1 1 356.346 1.964 20 5 FDBDMM CC(C)Oc1ncccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820178227 607168432 /nfs/dbraw/zinc/16/84/32/607168432.db2.gz LROQBJDTRLVNHZ-UHFFFAOYSA-N -1 1 356.346 1.964 20 5 FDBDMM Cc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826292794 607866825 /nfs/dbraw/zinc/86/68/25/607866825.db2.gz MEKCRDRNYZDJFZ-UHFFFAOYSA-N -1 1 361.339 1.851 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1cnc(C2CC2)nc1 ZINC000826497503 607904135 /nfs/dbraw/zinc/90/41/35/607904135.db2.gz JGOBOXJTBFMLMH-UHFFFAOYSA-N -1 1 353.346 1.492 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1cnc(C2CC2)nc1 ZINC000826497503 607904136 /nfs/dbraw/zinc/90/41/36/607904136.db2.gz JGOBOXJTBFMLMH-UHFFFAOYSA-N -1 1 353.346 1.492 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(O)(C(F)(F)F)CC1 ZINC000826496729 608017321 /nfs/dbraw/zinc/01/73/21/608017321.db2.gz HAMSLABNCBBBHI-UHFFFAOYSA-N -1 1 359.268 1.064 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(O)(C(F)(F)F)CC1 ZINC000826496729 608017322 /nfs/dbraw/zinc/01/73/22/608017322.db2.gz HAMSLABNCBBBHI-UHFFFAOYSA-N -1 1 359.268 1.064 20 5 FDBDMM C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H]1F ZINC000824961626 609330807 /nfs/dbraw/zinc/33/08/07/609330807.db2.gz DZXXADSLJFPFFH-IUCAKERBSA-N -1 1 370.366 1.144 20 5 FDBDMM Cc1cc(C)c([N+](=O)[O-])c(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826263861 609383569 /nfs/dbraw/zinc/38/35/69/609383569.db2.gz SXLVQYQARXLASF-UHFFFAOYSA-N -1 1 358.366 1.137 20 5 FDBDMM Cc1cc(C)c([N+](=O)[O-])c(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826263861 609383572 /nfs/dbraw/zinc/38/35/72/609383572.db2.gz SXLVQYQARXLASF-UHFFFAOYSA-N -1 1 358.366 1.137 20 5 FDBDMM Cn1cnc(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000026874147 670764617 /nfs/dbraw/zinc/76/46/17/670764617.db2.gz YMQWRADCZWLVJW-UHFFFAOYSA-N -1 1 359.795 1.372 20 5 FDBDMM CNC(=O)c1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119475722 671675225 /nfs/dbraw/zinc/67/52/25/671675225.db2.gz BZIRBWUCWAHAAC-UHFFFAOYSA-N -1 1 355.397 1.494 20 5 FDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)cs1 ZINC000120194573 671685863 /nfs/dbraw/zinc/68/58/63/671685863.db2.gz BWECYYIMSNZEPV-UHFFFAOYSA-N -1 1 370.347 1.572 20 5 FDBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(Br)ccc1[O-] ZINC000121524427 671706204 /nfs/dbraw/zinc/70/62/04/671706204.db2.gz NJEWYJJJZMASGY-UHFFFAOYSA-N -1 1 356.136 1.602 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](O)c1ccc(F)cc1 ZINC000159050633 671986864 /nfs/dbraw/zinc/98/68/64/671986864.db2.gz MFLSOILOQACKRB-LBPRGKRZSA-N -1 1 358.322 1.885 20 5 FDBDMM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]CC(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000288706808 676043058 /nfs/dbraw/zinc/04/30/58/676043058.db2.gz YTHIXLTYMCOWMS-UHFFFAOYSA-N -1 1 357.266 1.960 20 5 FDBDMM CN(C)C(=O)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289283627 676116193 /nfs/dbraw/zinc/11/61/93/676116193.db2.gz FVUQMEMCMOUIHL-UHFFFAOYSA-N -1 1 367.786 1.534 20 5 FDBDMM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289911393 676183662 /nfs/dbraw/zinc/18/36/62/676183662.db2.gz QDVSCEMORGXORP-UFUPEUMYSA-N -1 1 352.771 1.993 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](CO)[C@@H]1CCOC1 ZINC000281129446 675493446 /nfs/dbraw/zinc/49/34/46/675493446.db2.gz YUVJTSKROJBVRP-ZJUUUORDSA-N -1 1 364.807 1.172 20 5 FDBDMM CCn1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)n1 ZINC000416584449 679684105 /nfs/dbraw/zinc/68/41/05/679684105.db2.gz MXNKQTMCNMHGQI-UHFFFAOYSA-N -1 1 368.371 1.076 20 5 FDBDMM C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)CCO1 ZINC000363627577 676966016 /nfs/dbraw/zinc/96/60/16/676966016.db2.gz KOIAOLLUOJVXCV-NSHDSACASA-N -1 1 350.375 1.021 20 5 FDBDMM CCC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OCC ZINC000433444827 681188829 /nfs/dbraw/zinc/18/88/29/681188829.db2.gz UHNWGQRLSXECOQ-SECBINFHSA-N -1 1 350.418 1.914 20 5 FDBDMM COCC[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000445069624 682446395 /nfs/dbraw/zinc/44/63/95/682446395.db2.gz DMZQCBMSKMUEOG-CYBMUJFWSA-N -1 1 364.807 1.722 20 5 FDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)[C@H]1CCCO1 ZINC000447930919 682580570 /nfs/dbraw/zinc/58/05/70/682580570.db2.gz NLMFPOVTZHJRKK-MWLCHTKSSA-N -1 1 350.780 1.066 20 5 FDBDMM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451971855 682985597 /nfs/dbraw/zinc/98/55/97/682985597.db2.gz UZDKAWVXHJSWDE-SECBINFHSA-N -1 1 358.807 1.891 20 5 FDBDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])o1 ZINC000467977657 684884595 /nfs/dbraw/zinc/88/45/95/684884595.db2.gz DCVUJFXOQHFONQ-UHFFFAOYSA-N -1 1 368.367 1.886 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000476542231 685747564 /nfs/dbraw/zinc/74/75/64/685747564.db2.gz HIFOJTZRYBTOEK-UHFFFAOYSA-N -1 1 350.400 1.865 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H](CCOC)c2ccc(C)o2)c([N+](=O)[O-])n1 ZINC000479910628 686064328 /nfs/dbraw/zinc/06/43/28/686064328.db2.gz DBTAJDFWXWRBPO-LLVKDONJSA-N -1 1 372.403 1.769 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2c(Cl)cccc2OC)c([N+](=O)[O-])n1 ZINC000480719432 686213631 /nfs/dbraw/zinc/21/36/31/686213631.db2.gz PQFAEBAGHDCZNO-UHFFFAOYSA-N -1 1 374.806 1.952 20 5 FDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cnn(CC(F)(F)F)c1 ZINC000531911968 694856039 /nfs/dbraw/zinc/85/60/39/694856039.db2.gz BHUZVSVSBZCOIP-UHFFFAOYSA-N -1 1 365.293 1.227 20 5 FDBDMM CCOc1cccc(CC[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])c1 ZINC000532853800 694892142 /nfs/dbraw/zinc/89/21/42/694892142.db2.gz AZWKRFLZQIGZED-UHFFFAOYSA-N -1 1 368.415 1.731 20 5 FDBDMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000277644489 782935567 /nfs/dbraw/zinc/93/55/67/782935567.db2.gz HTVIMVFIOXEUCL-UHFFFAOYSA-N -1 1 373.369 1.909 20 5 FDBDMM COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000452028443 787407400 /nfs/dbraw/zinc/40/74/00/787407400.db2.gz ZSYLSCHMYDLQIF-SFHVURJKSA-N 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CCc1[nH]nc(C(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000739539150 602419220 /nfs/dbraw/zinc/41/92/20/602419220.db2.gz JAXGKGXNIUDUTH-PWSUYJOCSA-N -1 1 365.390 1.875 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccs2)c1-c1nn[n-]n1 ZINC000826500063 607576173 /nfs/dbraw/zinc/57/61/73/607576173.db2.gz JRAAPBVCHFIDEH-UHFFFAOYSA-N -1 1 366.384 1.315 20 5 FDBDMM O=[N+]([O-])c1ncccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826500744 607576351 /nfs/dbraw/zinc/57/63/51/607576351.db2.gz KSSUDHADXIOANX-UHFFFAOYSA-N -1 1 366.290 1.077 20 5 FDBDMM O=[N+]([O-])c1ncccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826500744 607576353 /nfs/dbraw/zinc/57/63/53/607576353.db2.gz KSSUDHADXIOANX-UHFFFAOYSA-N -1 1 366.290 1.077 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC(C2CC2)C2CC2)c1-c1nn[n-]n1 ZINC000826500470 607582908 /nfs/dbraw/zinc/58/29/08/607582908.db2.gz ZHIZIVZWFYBKSL-UHFFFAOYSA-N -1 1 364.387 1.242 20 5 FDBDMM CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)[O-])CC1 ZINC000827765745 603980039 /nfs/dbraw/zinc/98/00/39/603980039.db2.gz UXIIOOIULDMRSM-UHFFFAOYSA-N -1 1 350.375 1.632 20 5 FDBDMM Cc1nc([C@@H]2CN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000832991778 604271368 /nfs/dbraw/zinc/27/13/68/604271368.db2.gz QOAWBRFRSPLEIB-LBPRGKRZSA-N -1 1 367.749 1.951 20 5 FDBDMM C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000833614643 605392271 /nfs/dbraw/zinc/39/22/71/605392271.db2.gz QVSRBJHKFMFIHV-LLVKDONJSA-N -1 1 371.415 1.303 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@H](c2cccs2)C1 ZINC000823619977 606726833 /nfs/dbraw/zinc/72/68/33/606726833.db2.gz DTLBEVFMRWGZPY-JTQLQIEISA-N -1 1 359.371 1.809 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@H](c2cccs2)C1 ZINC000823619977 606726835 /nfs/dbraw/zinc/72/68/35/606726835.db2.gz DTLBEVFMRWGZPY-JTQLQIEISA-N -1 1 359.371 1.809 20 5 FDBDMM CC[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820981087 606730483 /nfs/dbraw/zinc/73/04/83/606730483.db2.gz OZPVDSXDLNIAJA-SNVBAGLBSA-N -1 1 366.403 1.728 20 5 FDBDMM C[C@H](N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(C)(C)C ZINC000820308150 606730753 /nfs/dbraw/zinc/73/07/53/606730753.db2.gz SEMZLGJIFJQCAV-VIFPVBQESA-N -1 1 368.419 1.830 20 5 FDBDMM CC(C)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820038730 606731676 /nfs/dbraw/zinc/73/16/76/606731676.db2.gz QPIVSDBVPGHOOK-JTQLQIEISA-N -1 1 366.403 1.584 20 5 FDBDMM CC(C)CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820076134 606732559 /nfs/dbraw/zinc/73/25/59/606732559.db2.gz CFTOAULTPHCDRH-UHFFFAOYSA-N -1 1 354.392 1.442 20 5 FDBDMM Cc1nn(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)c(C)c1[N+](=O)[O-] ZINC000822501051 607104992 /nfs/dbraw/zinc/10/49/92/607104992.db2.gz SSSLMAXWARIXHJ-UHFFFAOYSA-N -1 1 363.363 1.074 20 5 FDBDMM Cc1nn(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)c(C)c1[N+](=O)[O-] ZINC000822501051 607104994 /nfs/dbraw/zinc/10/49/94/607104994.db2.gz SSSLMAXWARIXHJ-UHFFFAOYSA-N -1 1 363.363 1.074 20 5 FDBDMM COc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC ZINC000821823881 607161324 /nfs/dbraw/zinc/16/13/24/607161324.db2.gz FNSVVWHHVPHJQX-UHFFFAOYSA-N -1 1 357.330 1.799 20 5 FDBDMM COc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC ZINC000821823881 607161326 /nfs/dbraw/zinc/16/13/26/607161326.db2.gz FNSVVWHHVPHJQX-UHFFFAOYSA-N -1 1 357.330 1.799 20 5 FDBDMM Cn1c(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nnc1-c1ccco1 ZINC000822605010 607164890 /nfs/dbraw/zinc/16/48/90/607164890.db2.gz USOOTULZPXRSOY-UHFFFAOYSA-N -1 1 371.342 1.710 20 5 FDBDMM Cn1c(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nnc1-c1ccco1 ZINC000822605010 607164891 /nfs/dbraw/zinc/16/48/91/607164891.db2.gz USOOTULZPXRSOY-UHFFFAOYSA-N -1 1 371.342 1.710 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(N2CCCC2)nc1 ZINC000823624790 607166483 /nfs/dbraw/zinc/16/64/83/607166483.db2.gz JNGJYIUSZWIQAU-UHFFFAOYSA-N -1 1 353.346 1.909 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(N2CCCC2)nc1 ZINC000823624790 607166484 /nfs/dbraw/zinc/16/64/84/607166484.db2.gz JNGJYIUSZWIQAU-UHFFFAOYSA-N -1 1 353.346 1.909 20 5 FDBDMM O=C1CCCCCN1CCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826480058 607839454 /nfs/dbraw/zinc/83/94/54/607839454.db2.gz PYNBXPGFROASEF-UHFFFAOYSA-N -1 1 359.390 1.980 20 5 FDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000826356674 608005985 /nfs/dbraw/zinc/00/59/85/608005985.db2.gz ALTUUWYCQRRTET-UHFFFAOYSA-N -1 1 367.329 1.171 20 5 FDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000826356674 608005986 /nfs/dbraw/zinc/00/59/86/608005986.db2.gz ALTUUWYCQRRTET-UHFFFAOYSA-N -1 1 367.329 1.171 20 5 FDBDMM O=C(OCCOc1cccc(-c2nn[nH]n2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000826464229 609622171 /nfs/dbraw/zinc/62/21/71/609622171.db2.gz NUDIEWWBOFVDTG-UHFFFAOYSA-N -1 1 371.309 1.716 20 5 FDBDMM O=C(NCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)NC1CCCCC1 ZINC000278086002 675091242 /nfs/dbraw/zinc/09/12/42/675091242.db2.gz HQJBFTQQLRKRHG-UHFFFAOYSA-N -1 1 351.363 1.057 20 5 FDBDMM C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000278643838 675166216 /nfs/dbraw/zinc/16/62/16/675166216.db2.gz GCEPJQNJIQFCQK-UFBFGSQYSA-N -1 1 350.780 1.066 20 5 FDBDMM C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[S@@](C)=O ZINC000124231708 671734917 /nfs/dbraw/zinc/73/49/17/671734917.db2.gz JTLXBUFJIMGYLA-SQFXPLBJSA-N -1 1 354.837 1.684 20 5 FDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000125875153 671752922 /nfs/dbraw/zinc/75/29/22/671752922.db2.gz BJPBXPGSSHHGLZ-SKDRFNHKSA-N -1 1 363.823 1.246 20 5 FDBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc([N+](=O)[O-])c1F ZINC000154271008 671918703 /nfs/dbraw/zinc/91/87/03/671918703.db2.gz WZURMLVJIGSCON-UHFFFAOYSA-N -1 1 367.358 1.871 20 5 FDBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc([N+](=O)[O-])c1F ZINC000154260087 671918803 /nfs/dbraw/zinc/91/88/03/671918803.db2.gz GBOUPFZINBZCJG-UHFFFAOYSA-N -1 1 353.331 1.942 20 5 FDBDMM C[S@](=O)c1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000175875500 672108081 /nfs/dbraw/zinc/10/80/81/672108081.db2.gz ORHFVXIKJDFBPF-QHCPKHFHSA-N -1 1 372.399 1.950 20 5 FDBDMM C[C@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1=O ZINC000289592364 676156216 /nfs/dbraw/zinc/15/62/16/676156216.db2.gz PUTSVPMNKBNAPG-NSHDSACASA-N -1 1 369.182 1.886 20 5 FDBDMM CCCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281122508 675492515 /nfs/dbraw/zinc/49/25/15/675492515.db2.gz HRFYTQLHMZKDHI-UHFFFAOYSA-N -1 1 353.759 1.192 20 5 FDBDMM O=C([O-])Cc1ccccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000328028522 676597295 /nfs/dbraw/zinc/59/72/95/676597295.db2.gz ONWYAPOPFUZIHB-UHFFFAOYSA-N -1 1 368.342 1.840 20 5 FDBDMM CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000416629283 679697520 /nfs/dbraw/zinc/69/75/20/679697520.db2.gz HIFAWDIUEYHQTK-UHFFFAOYSA-N -1 1 368.458 1.150 20 5 FDBDMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)o1 ZINC000349797590 676820487 /nfs/dbraw/zinc/82/04/87/676820487.db2.gz XLKAYPYZVXXQIZ-UHFFFAOYSA-N -1 1 350.312 1.813 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3CCO)s1 ZINC000372143114 677851523 /nfs/dbraw/zinc/85/15/23/677851523.db2.gz HYWZNRUSLVKWRF-SNVBAGLBSA-N -1 1 372.428 1.201 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCOC2)C1 ZINC000376148955 678231640 /nfs/dbraw/zinc/23/16/40/678231640.db2.gz KEISHWMOBPHOHU-IINYFYTJSA-N -1 1 360.363 1.350 20 5 FDBDMM C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000412390632 679177784 /nfs/dbraw/zinc/17/77/84/679177784.db2.gz AVVSMCLGGZULPI-VIFPVBQESA-N -1 1 362.308 1.652 20 5 FDBDMM CC1CCN(CCNS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000414316261 679338393 /nfs/dbraw/zinc/33/83/93/679338393.db2.gz HUMPMDMQNHLIRX-UHFFFAOYSA-N -1 1 371.415 1.303 20 5 FDBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CC ZINC000443791595 682349040 /nfs/dbraw/zinc/34/90/40/682349040.db2.gz RPRBFHYPXLQPLV-FZMZJTMJSA-N -1 1 358.416 1.992 20 5 FDBDMM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000451844900 682951415 /nfs/dbraw/zinc/95/14/15/682951415.db2.gz UBHUNWDHBUZYCP-AWEZNQCLSA-N -1 1 358.416 1.990 20 5 FDBDMM CN(C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000465504170 684786398 /nfs/dbraw/zinc/78/63/98/684786398.db2.gz GHIPHRDBQBUABU-UHFFFAOYSA-N -1 1 361.445 1.726 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H](CO)Cc2cccc(C)c2)c([N+](=O)[O-])n1 ZINC000466729027 684823714 /nfs/dbraw/zinc/82/37/14/684823714.db2.gz XOXKYUARBSDDEO-ZDUSSCGKSA-N -1 1 368.415 1.002 20 5 FDBDMM O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000480524442 686185655 /nfs/dbraw/zinc/18/56/55/686185655.db2.gz GJJBANIQYRTMOD-UHFFFAOYSA-N -1 1 350.356 1.715 20 5 FDBDMM Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525972745 694640929 /nfs/dbraw/zinc/64/09/29/694640929.db2.gz UKBCZOYDSWUHSL-CYBMUJFWSA-N -1 1 351.384 1.180 20 5 FDBDMM 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/nfs/dbraw/zinc/40/74/71/552407471.db2.gz JPFHXYHHSKQIEH-KOLCDFICSA-N -1 1 357.388 1.548 20 5 FDBDMM COC(=O)c1oc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)cc1C ZINC000595320141 552523438 /nfs/dbraw/zinc/52/34/38/552523438.db2.gz DEQPQOKBCGLLSV-UHFFFAOYSA-N -1 1 368.367 1.804 20 5 FDBDMM CCn1nccc1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595414882 552555235 /nfs/dbraw/zinc/55/52/35/552555235.db2.gz HFGCSLVUGFUIQZ-UHFFFAOYSA-N -1 1 368.371 1.061 20 5 FDBDMM O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000597883398 552843651 /nfs/dbraw/zinc/84/36/51/552843651.db2.gz QMGXDQQYDBEQMV-UHFFFAOYSA-N -1 1 364.383 1.711 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000599263274 553007767 /nfs/dbraw/zinc/00/77/67/553007767.db2.gz DEJJASKTFMVLFR-KLVQOETNSA-N -1 1 372.428 1.105 20 5 FDBDMM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1C1CCC1 ZINC000599525317 553081131 /nfs/dbraw/zinc/08/11/31/553081131.db2.gz LCNDPNDHXKBAGG-LLVKDONJSA-N -1 1 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FDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000833626691 605109857 /nfs/dbraw/zinc/10/98/57/605109857.db2.gz RJIYDDOVPVUKCV-LLVKDONJSA-N -1 1 360.370 1.697 20 5 FDBDMM O=[N+]([O-])c1c(N[C@@H]2CCOC2)cc(N[C@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000826497840 607736831 /nfs/dbraw/zinc/73/68/31/607736831.db2.gz WHTCLEUZOXRBNX-VHSXEESVSA-N -1 1 361.362 1.177 20 5 FDBDMM O=[N+]([O-])c1c(N[C@@H]2CCOC2)cc(N[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826497840 607736832 /nfs/dbraw/zinc/73/68/32/607736832.db2.gz WHTCLEUZOXRBNX-VHSXEESVSA-N -1 1 361.362 1.177 20 5 FDBDMM CN(C)C(=O)CN1CCC(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833688758 605185065 /nfs/dbraw/zinc/18/50/65/605185065.db2.gz YTDVBRUJWPEVMX-UHFFFAOYSA-N -1 1 350.375 1.258 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(C3CC3)CC2)c1-c1nn[n-]n1 ZINC000826500454 607746982 /nfs/dbraw/zinc/74/69/82/607746982.db2.gz YWYNZIIOGPJAHW-UHFFFAOYSA-N -1 1 364.387 1.243 20 5 FDBDMM COCCOc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000821693835 606697823 /nfs/dbraw/zinc/69/78/23/606697823.db2.gz PEWNBERDKVNBTL-UHFFFAOYSA-N -1 1 372.345 1.202 20 5 FDBDMM COCCOc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000821693835 606697824 /nfs/dbraw/zinc/69/78/24/606697824.db2.gz PEWNBERDKVNBTL-UHFFFAOYSA-N -1 1 372.345 1.202 20 5 FDBDMM O=C(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])N1CCc2ccccc21 ZINC000823013937 606707597 /nfs/dbraw/zinc/70/75/97/606707597.db2.gz CFHJJYSZIJSGHI-UHFFFAOYSA-N -1 1 366.341 1.171 20 5 FDBDMM O=C(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])N1CCc2ccccc21 ZINC000823013937 606707600 /nfs/dbraw/zinc/70/76/00/606707600.db2.gz CFHJJYSZIJSGHI-UHFFFAOYSA-N -1 1 366.341 1.171 20 5 FDBDMM CCC[C@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821016542 606732201 /nfs/dbraw/zinc/73/22/01/606732201.db2.gz XHZLSXSWTRDKCK-VIFPVBQESA-N -1 1 354.392 1.584 20 5 FDBDMM CCOC(=O)N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821334881 607162321 /nfs/dbraw/zinc/16/23/21/607162321.db2.gz SFYGDHJFARBKRL-UHFFFAOYSA-N -1 1 362.350 1.203 20 5 FDBDMM CCOC(=O)N1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821334881 607162322 /nfs/dbraw/zinc/16/23/22/607162322.db2.gz SFYGDHJFARBKRL-UHFFFAOYSA-N -1 1 362.350 1.203 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nnc(NC2CC2)s1 ZINC000823629635 607164449 /nfs/dbraw/zinc/16/44/49/607164449.db2.gz CPDIBIOVPNJPMX-UHFFFAOYSA-N -1 1 363.388 1.747 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nnc(NC2CC2)s1 ZINC000823629635 607164450 /nfs/dbraw/zinc/16/44/50/607164450.db2.gz CPDIBIOVPNJPMX-UHFFFAOYSA-N -1 1 363.388 1.747 20 5 FDBDMM Cc1ccccc1OCCN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822366078 607164864 /nfs/dbraw/zinc/16/48/64/607164864.db2.gz APQOETKTMSOJNC-UHFFFAOYSA-N -1 1 355.358 1.994 20 5 FDBDMM Cc1ccccc1OCCN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822366078 607164865 /nfs/dbraw/zinc/16/48/65/607164865.db2.gz APQOETKTMSOJNC-UHFFFAOYSA-N -1 1 355.358 1.994 20 5 FDBDMM CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])OCCCO1 ZINC000276978776 674822982 /nfs/dbraw/zinc/82/29/82/674822982.db2.gz RDBCLYJWZGTOOW-UHFFFAOYSA-N -1 1 350.780 1.680 20 5 FDBDMM C[C@@H](CONC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000278081798 675090426 /nfs/dbraw/zinc/09/04/26/675090426.db2.gz PCGFNWBYZXQQJG-QMMMGPOBSA-N -1 1 356.335 1.270 20 5 FDBDMM CCC(Nc1ccc([N+](=O)[O-])cc1OC)=C1C(=O)[N-]C(=S)NC1=O ZINC000009780417 670579881 /nfs/dbraw/zinc/57/98/81/670579881.db2.gz YKNJDSLUKDNPFB-UHFFFAOYSA-N -1 1 350.356 1.210 20 5 FDBDMM C[S@](=O)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000119941931 671681864 /nfs/dbraw/zinc/68/18/64/671681864.db2.gz SADFMFPITGSPQI-OAQYLSRUSA-N -1 1 360.438 1.872 20 5 FDBDMM CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000194342038 672383368 /nfs/dbraw/zinc/38/33/68/672383368.db2.gz XYOPHNMEKSGEMR-UHFFFAOYSA-N -1 1 373.406 1.659 20 5 FDBDMM O=C(NCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccs1 ZINC000194348008 672383649 /nfs/dbraw/zinc/38/36/49/672383649.db2.gz IKQNPKDZCFWSQR-UHFFFAOYSA-N -1 1 373.387 1.504 20 5 FDBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OCCO ZINC000288729008 676046540 /nfs/dbraw/zinc/04/65/40/676046540.db2.gz ZSBKEVMYOBZRJV-UHFFFAOYSA-N -1 1 352.796 1.314 20 5 FDBDMM Cc1nsc(N2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)n1 ZINC000266546717 673144850 /nfs/dbraw/zinc/14/48/50/673144850.db2.gz JWHKAFCMMDVCEZ-UHFFFAOYSA-N -1 1 364.387 1.208 20 5 FDBDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000266940487 673219610 /nfs/dbraw/zinc/21/96/10/673219610.db2.gz BCKYJYPGFDMHME-UHFFFAOYSA-N -1 1 363.399 1.963 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@@H]2O)s1 ZINC000377346361 678524460 /nfs/dbraw/zinc/52/44/60/678524460.db2.gz NXGBRXWGKNUDOL-RNCFNFMXSA-N -1 1 356.381 1.429 20 5 FDBDMM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccn(C)n1 ZINC000416564013 679654661 /nfs/dbraw/zinc/65/46/61/679654661.db2.gz RSIPNHBNEDXOMP-SECBINFHSA-N -1 1 368.371 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ZINC000593307506 552086777 /nfs/dbraw/zinc/08/67/77/552086777.db2.gz NTHKBPDSYDMOQG-NSHDSACASA-N -1 1 369.399 1.056 20 5 FDBDMM Cc1c(NC(=O)[C@@H](C)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000595883807 552628322 /nfs/dbraw/zinc/62/83/22/552628322.db2.gz GACKHLIYDZZWFN-PSTGCABASA-N -1 1 363.370 1.263 20 5 FDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000598199986 552875336 /nfs/dbraw/zinc/87/53/36/552875336.db2.gz RAZWDPKAWPWRAH-LSDHHAIUSA-N -1 1 357.366 1.934 20 5 FDBDMM CC(=O)Nc1cccc([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000599211354 552987191 /nfs/dbraw/zinc/98/71/91/552987191.db2.gz SNILIAPPUHLAAN-VIFPVBQESA-N -1 1 367.387 1.326 20 5 FDBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCN(C)c3ccccc32)n1 ZINC000599320543 553025923 /nfs/dbraw/zinc/02/59/23/553025923.db2.gz CFMOGVLOFPLGDC-GFCCVEGCSA-N -1 1 365.415 1.578 20 5 FDBDMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000600869080 553322597 /nfs/dbraw/zinc/32/25/97/553322597.db2.gz JVGJAMDCRLQJSC-UHFFFAOYSA-N -1 1 355.778 1.869 20 5 FDBDMM COc1ccc(CC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000600868589 553322806 /nfs/dbraw/zinc/32/28/06/553322806.db2.gz HSHBSENDZUFDOO-GFCCVEGCSA-N -1 1 365.386 1.153 20 5 FDBDMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000600873971 553323347 /nfs/dbraw/zinc/32/33/47/553323347.db2.gz JHFAQPPAYIYIQD-UHFFFAOYSA-N -1 1 360.370 1.697 20 5 FDBDMM Cc1nn(CCC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000609044899 554335012 /nfs/dbraw/zinc/33/50/12/554335012.db2.gz RZGVPFIZWQLVCJ-CQSZACIVSA-N -1 1 370.373 1.217 20 5 FDBDMM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000609710516 554414621 /nfs/dbraw/zinc/41/46/21/554414621.db2.gz UTHXYYOWWCAJCK-MNOVXSKESA-N -1 1 350.375 1.509 20 5 FDBDMM O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000610673235 554547638 /nfs/dbraw/zinc/54/76/38/554547638.db2.gz VNBGQTOVJALSNA-INIZCTEOSA-N -1 1 352.354 1.946 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCN2Cc3ccccc3C2)c([N+](=O)[O-])n1 ZINC000611107208 554606043 /nfs/dbraw/zinc/60/60/43/554606043.db2.gz DPDQKLVGENIQPV-UHFFFAOYSA-N -1 1 365.415 1.105 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C2CCC(OC(C)C)CC2)c([N+](=O)[O-])n1 ZINC000611107883 554606254 /nfs/dbraw/zinc/60/62/54/554606254.db2.gz NSOSTTSCLMMPQL-UHFFFAOYSA-N -1 1 360.436 1.826 20 5 FDBDMM CCOC(=O)CC[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000614301691 555035909 /nfs/dbraw/zinc/03/59/09/555035909.db2.gz WKEQYROASHJRAW-NSHDSACASA-N -1 1 351.359 1.891 20 5 FDBDMM CCOC(=O)CC[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000614301690 555036062 /nfs/dbraw/zinc/03/60/62/555036062.db2.gz WKEQYROASHJRAW-LLVKDONJSA-N -1 1 351.359 1.891 20 5 FDBDMM COc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000616768052 555332760 /nfs/dbraw/zinc/33/27/60/555332760.db2.gz VRHXKYDPPZKPBN-OAHLLOKOSA-N -1 1 368.353 1.944 20 5 FDBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)n1 ZINC000619865234 555845634 /nfs/dbraw/zinc/84/56/34/555845634.db2.gz SYSLLUOBDOIGIV-UHFFFAOYSA-N -1 1 362.298 1.534 20 5 FDBDMM CN(C)c1cccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821590693 607307046 /nfs/dbraw/zinc/30/70/46/607307046.db2.gz BDIYJOPCQHARNK-UHFFFAOYSA-N -1 1 354.374 1.872 20 5 FDBDMM CN(C)c1cccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821590693 607307047 /nfs/dbraw/zinc/30/70/47/607307047.db2.gz BDIYJOPCQHARNK-UHFFFAOYSA-N -1 1 354.374 1.872 20 5 FDBDMM O=C([O-])CCc1nnc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC000739778625 600634012 /nfs/dbraw/zinc/63/40/12/600634012.db2.gz WNLNNUZHGPUBNF-UHFFFAOYSA-N -1 1 358.282 1.994 20 5 FDBDMM COc1ccc(NC(=O)[C@@H](C)N2CC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000832389876 601918303 /nfs/dbraw/zinc/91/83/03/601918303.db2.gz YCGAYGSIJAXOCD-HWPZZCPQSA-N -1 1 351.359 1.727 20 5 FDBDMM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000739016670 602755410 /nfs/dbraw/zinc/75/54/10/602755410.db2.gz QYNQYBDNVKPZMN-VIFPVBQESA-N -1 1 361.358 1.979 20 5 FDBDMM Cc1nn(CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000830871555 604021187 /nfs/dbraw/zinc/02/11/87/604021187.db2.gz UVUAYPZRNGIRQG-JQWIXIFHSA-N -1 1 362.390 1.974 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC(F)(F)C2)c1-c1nn[n-]n1 ZINC000826500054 607674729 /nfs/dbraw/zinc/67/47/29/607674729.db2.gz JNBXHUVCYIZMCS-SSDOTTSWSA-N -1 1 374.329 1.241 20 5 FDBDMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1csc([N+](=O)[O-])c1 ZINC000826295151 607718353 /nfs/dbraw/zinc/71/83/53/607718353.db2.gz TUDAMWFTRHPKTM-UHFFFAOYSA-N -1 1 369.366 1.903 20 5 FDBDMM CC(C)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824227826 607744072 /nfs/dbraw/zinc/74/40/72/607744072.db2.gz CGCRUMWPUMBRIK-SECBINFHSA-N -1 1 354.392 1.488 20 5 FDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824453024 605393168 /nfs/dbraw/zinc/39/31/68/605393168.db2.gz FDNXDBVFCVJWNC-UWVGGRQHSA-N -1 1 353.379 1.950 20 5 FDBDMM Cc1nn(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C)c1[N+](=O)[O-] ZINC000822501039 606194533 /nfs/dbraw/zinc/19/45/33/606194533.db2.gz SFDHFFZZJGEFOL-UHFFFAOYSA-N -1 1 372.345 1.323 20 5 FDBDMM Cc1nn(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC000822500925 606647197 /nfs/dbraw/zinc/64/71/97/606647197.db2.gz MLTJEPRKYSNHBR-UHFFFAOYSA-N -1 1 372.345 1.117 20 5 FDBDMM Cc1nn(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC000822500925 606647198 /nfs/dbraw/zinc/64/71/98/606647198.db2.gz MLTJEPRKYSNHBR-UHFFFAOYSA-N -1 1 372.345 1.117 20 5 FDBDMM O=C(CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])NC1CCCCC1 ZINC000822969285 606702066 /nfs/dbraw/zinc/70/20/66/606702066.db2.gz LDNAIYXWFLJLJB-UHFFFAOYSA-N -1 1 360.378 1.421 20 5 FDBDMM O=C(CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])NC1CCCCC1 ZINC000822969285 606702067 /nfs/dbraw/zinc/70/20/67/606702067.db2.gz LDNAIYXWFLJLJB-UHFFFAOYSA-N -1 1 360.378 1.421 20 5 FDBDMM Cn1cc(C2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cn1 ZINC000822674014 606705658 /nfs/dbraw/zinc/70/56/58/606705658.db2.gz JPJDLPYELAWPEX-UHFFFAOYSA-N -1 1 355.362 1.287 20 5 FDBDMM Cn1cc(C2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cn1 ZINC000822674014 606705659 /nfs/dbraw/zinc/70/56/59/606705659.db2.gz JPJDLPYELAWPEX-UHFFFAOYSA-N -1 1 355.362 1.287 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](CNc2ccccn2)C1 ZINC000823619746 606705809 /nfs/dbraw/zinc/70/58/09/606705809.db2.gz AMBGCIXXZVGKEW-NSHDSACASA-N -1 1 367.373 1.503 20 5 FDBDMM CN(C)C(=O)[C@@H]1CCC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821575898 606710347 /nfs/dbraw/zinc/71/03/47/606710347.db2.gz UJDVHNUNRNVHNL-ZJUUUORDSA-N -1 1 360.378 1.229 20 5 FDBDMM CN(C)C(=O)[C@@H]1CCC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821575898 606710348 /nfs/dbraw/zinc/71/03/48/606710348.db2.gz UJDVHNUNRNVHNL-ZJUUUORDSA-N -1 1 360.378 1.229 20 5 FDBDMM COC(=O)CCC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821660326 606717819 /nfs/dbraw/zinc/71/78/19/606717819.db2.gz NDCGCLLACZBZCO-UHFFFAOYSA-N -1 1 361.362 1.340 20 5 FDBDMM COC(=O)CCC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821660326 606717822 /nfs/dbraw/zinc/71/78/22/606717822.db2.gz NDCGCLLACZBZCO-UHFFFAOYSA-N -1 1 361.362 1.340 20 5 FDBDMM CC[C@]1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820950969 606736269 /nfs/dbraw/zinc/73/62/69/606736269.db2.gz TWZSQBGIJHOPTN-CQSZACIVSA-N -1 1 366.403 1.586 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2ccc(O)cc2)CC1 ZINC000823621053 607162247 /nfs/dbraw/zinc/16/22/47/607162247.db2.gz WBIJPGRRYSICIY-UHFFFAOYSA-N -1 1 368.357 1.202 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2ccc(O)cc2)CC1 ZINC000823621053 607162248 /nfs/dbraw/zinc/16/22/48/607162248.db2.gz WBIJPGRRYSICIY-UHFFFAOYSA-N -1 1 368.357 1.202 20 5 FDBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000826439099 609330172 /nfs/dbraw/zinc/33/01/72/609330172.db2.gz FDXAFRFVEJWQDA-UHFFFAOYSA-N -1 1 373.760 1.796 20 5 FDBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC000826439099 609330174 /nfs/dbraw/zinc/33/01/74/609330174.db2.gz FDXAFRFVEJWQDA-UHFFFAOYSA-N -1 1 373.760 1.796 20 5 FDBDMM COC(=O)C1([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCSCC1 ZINC000273698488 674563625 /nfs/dbraw/zinc/56/36/25/674563625.db2.gz NGOZULSJPBIPAB-UHFFFAOYSA-N -1 1 374.440 1.453 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1cn2ccccc2n1 ZINC000047671487 671044335 /nfs/dbraw/zinc/04/43/35/671044335.db2.gz FJSWRYHBPBVEOC-UHFFFAOYSA-N -1 1 364.358 1.903 20 5 FDBDMM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000278643830 675166260 /nfs/dbraw/zinc/16/62/60/675166260.db2.gz GCEPJQNJIQFCQK-QPUJVOFHSA-N -1 1 350.780 1.066 20 5 FDBDMM CN(C)c1ncccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194345298 672383413 /nfs/dbraw/zinc/38/34/13/672383413.db2.gz HHDSYNPJHNWLGC-UHFFFAOYSA-N -1 1 354.363 1.673 20 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ZINC000599272220 553011033 /nfs/dbraw/zinc/01/10/33/553011033.db2.gz MMHAMEHOEQEPBA-JTQLQIEISA-N -1 1 369.403 1.379 20 5 FDBDMM CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccco1 ZINC000599307642 553021975 /nfs/dbraw/zinc/02/19/75/553021975.db2.gz LOHFUKJRFQTMOX-GHMZBOCLSA-N -1 1 371.419 1.329 20 5 FDBDMM CN(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(F)F ZINC000599520966 553079390 /nfs/dbraw/zinc/07/93/90/553079390.db2.gz BVLVELFQTFHOJE-UHFFFAOYSA-N -1 1 357.766 1.723 20 5 FDBDMM CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000604041854 553838316 /nfs/dbraw/zinc/83/83/16/553838316.db2.gz GWURVZDEURLZSI-UHFFFAOYSA-N -1 1 352.372 1.862 20 5 FDBDMM CNc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000604286119 553859422 /nfs/dbraw/zinc/85/94/22/553859422.db2.gz MKTGVNHFNZLZSB-CQSZACIVSA-N -1 1 353.342 1.669 20 5 FDBDMM O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000604512983 553883005 /nfs/dbraw/zinc/88/30/05/553883005.db2.gz KAVHKZLZOXHFKP-OAHLLOKOSA-N -1 1 354.326 1.393 20 5 FDBDMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cccc([N+](=O)[O-])c3C)nc2n1 ZINC000608866005 554326112 /nfs/dbraw/zinc/32/61/12/554326112.db2.gz RLGJAWQHYRDJMI-UHFFFAOYSA-N -1 1 356.342 1.839 20 5 FDBDMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nc2n1 ZINC000608865921 554326180 /nfs/dbraw/zinc/32/61/80/554326180.db2.gz FKRHEOZVXOXMJD-UHFFFAOYSA-N -1 1 372.341 1.539 20 5 FDBDMM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000609121814 554339050 /nfs/dbraw/zinc/33/90/50/554339050.db2.gz JLUSQUHFFLNJSS-SNVBAGLBSA-N -1 1 370.408 1.947 20 5 FDBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)ccc1[N+](=O)[O-] ZINC000609657808 554408452 /nfs/dbraw/zinc/40/84/52/554408452.db2.gz FFMKXCQQXVBLCR-UHFFFAOYSA-N -1 1 365.367 1.568 20 5 FDBDMM CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000609710518 554414935 /nfs/dbraw/zinc/41/49/35/554414935.db2.gz UTHXYYOWWCAJCK-WDEREUQCSA-N -1 1 350.375 1.509 20 5 FDBDMM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610264381 554484421 /nfs/dbraw/zinc/48/44/21/554484421.db2.gz SWNPCBRRIFQWBE-RYUDHWBXSA-N -1 1 370.431 1.352 20 5 FDBDMM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCO2 ZINC000610483148 554517106 /nfs/dbraw/zinc/51/71/06/554517106.db2.gz LYSRIIAAUQBLPG-UHFFFAOYSA-N -1 1 366.307 1.823 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(OC)cc2C)c([N+](=O)[O-])n1 ZINC000611107250 554605880 /nfs/dbraw/zinc/60/58/80/554605880.db2.gz DGBZUCBTBCSMSD-UHFFFAOYSA-N -1 1 354.388 1.607 20 5 FDBDMM CCOC(=O)c1nc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n[n-]1 ZINC000615917097 555252380 /nfs/dbraw/zinc/25/23/80/555252380.db2.gz KJZGGZRRPIPLOX-UHFFFAOYSA-N -1 1 374.357 1.394 20 5 FDBDMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000615917097 555252382 /nfs/dbraw/zinc/25/23/82/555252382.db2.gz KJZGGZRRPIPLOX-UHFFFAOYSA-N -1 1 374.357 1.394 20 5 FDBDMM CCOC(=O)c1nc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])n[n-]1 ZINC000615919596 555252895 /nfs/dbraw/zinc/25/28/95/555252895.db2.gz HBAWWZWNICPSBW-UHFFFAOYSA-N -1 1 362.346 1.008 20 5 FDBDMM CCOC(=O)c1n[n-]c(CNC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC000615919596 555252897 /nfs/dbraw/zinc/25/28/97/555252897.db2.gz HBAWWZWNICPSBW-UHFFFAOYSA-N -1 1 362.346 1.008 20 5 FDBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000619467947 555782333 /nfs/dbraw/zinc/78/23/33/555782333.db2.gz OKWNGQPDMHQKLJ-UHFFFAOYSA-N -1 1 369.330 1.642 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)c([N+](=O)[O-])n1 ZINC000481842876 568147816 /nfs/dbraw/zinc/14/78/16/568147816.db2.gz DKVBENSRQDWPTQ-SECBINFHSA-N -1 1 370.391 1.229 20 5 FDBDMM COC(=O)c1ccc(O)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436665716 568260455 /nfs/dbraw/zinc/26/04/55/568260455.db2.gz ORKKYRGONWWBTG-UHFFFAOYSA-N -1 1 368.323 1.593 20 5 FDBDMM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237974849 599856702 /nfs/dbraw/zinc/85/67/02/599856702.db2.gz WRBPCTLMLUTBJO-CQSZACIVSA-N -1 1 354.322 1.897 20 5 FDBDMM O=C([O-])CNC(=O)c1ccc(N2CCN(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000739811984 600638108 /nfs/dbraw/zinc/63/81/08/600638108.db2.gz DXBRYBOZYPJIIQ-UHFFFAOYSA-N -1 1 362.386 1.084 20 5 FDBDMM O=C([O-])N1CCC[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000740512902 601988797 /nfs/dbraw/zinc/98/87/97/601988797.db2.gz QLFRPOVJGVKJSI-VIFPVBQESA-N -1 1 361.351 1.402 20 5 FDBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000826467422 607603200 /nfs/dbraw/zinc/60/32/00/607603200.db2.gz VSRWFVHTYPPHCT-UHFFFAOYSA-N -1 1 371.269 1.435 20 5 FDBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000826467422 607603201 /nfs/dbraw/zinc/60/32/01/607603201.db2.gz VSRWFVHTYPPHCT-UHFFFAOYSA-N -1 1 371.269 1.435 20 5 FDBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000740100258 603356143 /nfs/dbraw/zinc/35/61/43/603356143.db2.gz URAMLGHQYOWEDW-LBPRGKRZSA-N -1 1 350.375 1.916 20 5 FDBDMM CC1(C)C(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1(C)C ZINC000824790712 607661788 /nfs/dbraw/zinc/66/17/88/607661788.db2.gz PLIDLPMBYATMKJ-UHFFFAOYSA-N -1 1 366.403 1.488 20 5 FDBDMM Cc1nn(CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000830871554 604021164 /nfs/dbraw/zinc/02/11/64/604021164.db2.gz UVUAYPZRNGIRQG-CMPLNLGQSA-N -1 1 362.390 1.974 20 5 FDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833623929 605166325 /nfs/dbraw/zinc/16/63/25/605166325.db2.gz HBLZQMQJDAQKGA-SNVBAGLBSA-N -1 1 355.778 1.869 20 5 FDBDMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCN1C ZINC000833598597 605397159 /nfs/dbraw/zinc/39/71/59/605397159.db2.gz SBDLOORVQSGRGF-NXEZZACHSA-N -1 1 357.388 1.054 20 5 FDBDMM O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823054585 606196081 /nfs/dbraw/zinc/19/60/81/606196081.db2.gz BABXRMIXTOAGHY-UHFFFAOYSA-N -1 1 356.298 1.498 20 5 FDBDMM COc1cc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc(OC)c1 ZINC000821717333 606701446 /nfs/dbraw/zinc/70/14/46/606701446.db2.gz NMVOIGGJKOITST-UHFFFAOYSA-N -1 1 371.357 1.824 20 5 FDBDMM COc1cc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc(OC)c1 ZINC000821717333 606701447 /nfs/dbraw/zinc/70/14/47/606701447.db2.gz NMVOIGGJKOITST-UHFFFAOYSA-N -1 1 371.357 1.824 20 5 FDBDMM Cc1noc([C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)n1 ZINC000822528002 606701991 /nfs/dbraw/zinc/70/19/91/606701991.db2.gz NTDIVUGCUSJWRF-VIFPVBQESA-N -1 1 357.334 1.245 20 5 FDBDMM Cc1noc([C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)n1 ZINC000822528002 606701992 /nfs/dbraw/zinc/70/19/92/606701992.db2.gz NTDIVUGCUSJWRF-VIFPVBQESA-N -1 1 357.334 1.245 20 5 FDBDMM CC(C)c1nnc2n1C[C@@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000820211076 606704484 /nfs/dbraw/zinc/70/44/84/606704484.db2.gz BYOMZXFGFNECDX-VIFPVBQESA-N -1 1 370.377 1.312 20 5 FDBDMM CC(C)c1nnc2n1C[C@@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000820211076 606704485 /nfs/dbraw/zinc/70/44/85/606704485.db2.gz BYOMZXFGFNECDX-VIFPVBQESA-N -1 1 370.377 1.312 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000823619979 606708821 /nfs/dbraw/zinc/70/88/21/606708821.db2.gz DVPKUPMXOGGADD-LLVKDONJSA-N -1 1 352.358 1.861 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000823619979 606708823 /nfs/dbraw/zinc/70/88/23/606708823.db2.gz DVPKUPMXOGGADD-LLVKDONJSA-N -1 1 352.358 1.861 20 5 FDBDMM CN(C)c1nnc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000821592612 606709748 /nfs/dbraw/zinc/70/97/48/606709748.db2.gz MZJNCOKQYRVJAA-UHFFFAOYSA-N -1 1 351.377 1.239 20 5 FDBDMM CN(C)c1nnc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC000821592612 606709749 /nfs/dbraw/zinc/70/97/49/606709749.db2.gz MZJNCOKQYRVJAA-UHFFFAOYSA-N -1 1 351.377 1.239 20 5 FDBDMM CCCCN(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821062175 606730336 /nfs/dbraw/zinc/73/03/36/606730336.db2.gz VFQQGFZLHUMAFL-UHFFFAOYSA-N -1 1 354.392 1.586 20 5 FDBDMM C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000820709570 606732324 /nfs/dbraw/zinc/73/23/24/606732324.db2.gz KLPKEAAUGVLHIR-SNVBAGLBSA-N -1 1 366.403 1.586 20 5 FDBDMM C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H]1C ZINC000820709701 606734467 /nfs/dbraw/zinc/73/44/67/606734467.db2.gz LFACZFKEFACRFZ-ZJUUUORDSA-N -1 1 366.403 1.584 20 5 FDBDMM CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820972503 606736342 /nfs/dbraw/zinc/73/63/42/606736342.db2.gz OINNQCDUHSSVFF-UWVGGRQHSA-N -1 1 366.403 1.584 20 5 FDBDMM O=C1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CN1C1CCCCC1 ZINC000823519807 607043540 /nfs/dbraw/zinc/04/35/40/607043540.db2.gz IZGQKWIEXYHAJP-JTQLQIEISA-N -1 1 372.389 1.515 20 5 FDBDMM O=C1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CN1C1CCCCC1 ZINC000823519807 607043541 /nfs/dbraw/zinc/04/35/41/607043541.db2.gz IZGQKWIEXYHAJP-JTQLQIEISA-N -1 1 372.389 1.515 20 5 FDBDMM CN(Cc1ccccc1[N+](=O)[O-])c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821615971 607167312 /nfs/dbraw/zinc/16/73/12/607167312.db2.gz XCUGJHCGPJECDI-UHFFFAOYSA-N -1 1 356.302 1.715 20 5 FDBDMM CN(Cc1ccccc1[N+](=O)[O-])c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821615971 607167314 /nfs/dbraw/zinc/16/73/14/607167314.db2.gz XCUGJHCGPJECDI-UHFFFAOYSA-N -1 1 356.302 1.715 20 5 FDBDMM O=C(OCc1cc(-c2nn[nH]n2)ccc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000823413736 607205603 /nfs/dbraw/zinc/20/56/03/607205603.db2.gz LZUNAJDDZBBDHL-UHFFFAOYSA-N -1 1 359.273 1.977 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2ccccn2)CC1 ZINC000826497213 607820332 /nfs/dbraw/zinc/82/03/32/607820332.db2.gz YPUUHEGEMHFAFB-UHFFFAOYSA-N -1 1 352.358 1.949 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2ccccn2)CC1 ZINC000826497213 607820333 /nfs/dbraw/zinc/82/03/33/607820333.db2.gz YPUUHEGEMHFAFB-UHFFFAOYSA-N -1 1 352.358 1.949 20 5 FDBDMM Cc1cnn(C[C@@H]2CN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CCO2)c1 ZINC000826320312 607842035 /nfs/dbraw/zinc/84/20/35/607842035.db2.gz MHTVYYIVIIDNAV-ZDUSSCGKSA-N -1 1 370.373 1.185 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826497830 608296632 /nfs/dbraw/zinc/29/66/32/608296632.db2.gz WDFXNYVGBIRXLG-NEPJUHHUSA-N -1 1 359.390 1.813 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826497830 608296634 /nfs/dbraw/zinc/29/66/34/608296634.db2.gz WDFXNYVGBIRXLG-NEPJUHHUSA-N -1 1 359.390 1.813 20 5 FDBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278662062 675175562 /nfs/dbraw/zinc/17/55/62/675175562.db2.gz HFCBUWWCNVMFEM-JQWIXIFHSA-N -1 1 364.807 1.721 20 5 FDBDMM O=C1NCCN1c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000327444128 676592834 /nfs/dbraw/zinc/59/28/34/676592834.db2.gz VKTVLTKBWXTVLZ-UHFFFAOYSA-N -1 1 362.367 1.925 20 5 FDBDMM NC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1 ZINC000327613724 676594217 /nfs/dbraw/zinc/59/42/17/676594217.db2.gz MOSJEPCQXLQLSU-UHFFFAOYSA-N -1 1 365.323 1.193 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2COCc3ccccc32)c([N+](=O)[O-])n1 ZINC000416653731 679706922 /nfs/dbraw/zinc/70/69/22/679706922.db2.gz UIVSHAAEOXXBBE-GFCCVEGCSA-N -1 1 352.372 1.361 20 5 FDBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(C2N=NC(=S)O2)CC1 ZINC000364994910 677343179 /nfs/dbraw/zinc/34/31/79/677343179.db2.gz MXKSDFUCWBAZSE-UHFFFAOYSA-N -1 1 350.356 1.992 20 5 FDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000365398558 677356529 /nfs/dbraw/zinc/35/65/29/677356529.db2.gz XDSWYJXADPCFBY-UHFFFAOYSA-N -1 1 357.248 1.636 20 5 FDBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@H]2COc3ccccc3[C@H]2O)c1 ZINC000377333211 678520325 /nfs/dbraw/zinc/52/03/25/678520325.db2.gz BZHQIWJTPGAHRK-GOEBONIOSA-N -1 1 364.379 1.509 20 5 FDBDMM CC1(C)Oc2ccsc2[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@@H]1O ZINC000412413607 679179964 /nfs/dbraw/zinc/17/99/64/679179964.db2.gz FETXGVNSQVEZAV-PWSUYJOCSA-N -1 1 365.367 1.760 20 5 FDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc[nH]n1 ZINC000416448977 679625437 /nfs/dbraw/zinc/62/54/37/679625437.db2.gz IOHNHLJSRVYBRP-ZCFIWIBFSA-N -1 1 365.293 1.771 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2cn(C(C)C)nn2)c([N+](=O)[O-])n1 ZINC000420757694 680546678 /nfs/dbraw/zinc/54/66/78/680546678.db2.gz FNELGDOFLFHBFE-UHFFFAOYSA-N -1 1 371.423 1.197 20 5 FDBDMM CCC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OCC ZINC000433444828 681188726 /nfs/dbraw/zinc/18/87/26/681188726.db2.gz UHNWGQRLSXECOQ-VIFPVBQESA-N -1 1 350.418 1.914 20 5 FDBDMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000433451933 681189191 /nfs/dbraw/zinc/18/91/91/681189191.db2.gz SQTYXMKKBSAABQ-CMPLNLGQSA-N -1 1 364.807 1.721 20 5 FDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC(CO)CO ZINC000462120426 684616436 /nfs/dbraw/zinc/61/64/36/684616436.db2.gz JVYINAXSAUFLDV-UHFFFAOYSA-N -1 1 367.383 1.161 20 5 FDBDMM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000464380932 684740347 /nfs/dbraw/zinc/74/03/47/684740347.db2.gz WPTBWLSKEWJMBK-SSDOTTSWSA-N -1 1 370.305 1.985 20 5 FDBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000467316111 684855179 /nfs/dbraw/zinc/85/51/79/684855179.db2.gz VONYKGWMOQLLCO-UHFFFAOYSA-N -1 1 369.330 1.642 20 5 FDBDMM C[C@@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(N)=O ZINC000490068095 687129920 /nfs/dbraw/zinc/12/99/20/687129920.db2.gz BDTVLLASUZQBSJ-ZANVPECISA-N -1 1 369.424 1.592 20 5 FDBDMM C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000519760235 690261753 /nfs/dbraw/zinc/26/17/53/690261753.db2.gz RAMLBFIDSXOAPM-TVQRCGJNSA-N -1 1 369.399 1.054 20 5 FDBDMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000525186455 694594681 /nfs/dbraw/zinc/59/46/81/694594681.db2.gz ZTBYEBLCIHQGHU-LBPRGKRZSA-N -1 1 362.411 1.719 20 5 FDBDMM CS(=O)(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000525387317 694612890 /nfs/dbraw/zinc/61/28/90/694612890.db2.gz DLUWKXONJRSFGJ-IUCAKERBSA-N -1 1 368.458 1.290 20 5 FDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](CO)Cc1ccc(F)cc1 ZINC000532775070 694887095 /nfs/dbraw/zinc/88/70/95/694887095.db2.gz UUFCYKCFQNSDLF-GFCCVEGCSA-N -1 1 369.374 1.258 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])n1 ZINC000532853916 694892041 /nfs/dbraw/zinc/89/20/41/694892041.db2.gz AKSKCXJCXDYVNY-NEPJUHHUSA-N -1 1 360.436 1.685 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c([N+](=O)[O-])n1 ZINC000532855794 694892781 /nfs/dbraw/zinc/89/27/81/694892781.db2.gz ZKUQYGJRIFWGHY-GUTXKFCHSA-N -1 1 362.411 1.675 20 5 FDBDMM Cc1occc1C(=O)N1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000377057205 791018256 /nfs/dbraw/zinc/01/82/56/791018256.db2.gz OTZJSHULYZFIRH-UHFFFAOYSA-N -1 1 374.353 1.631 20 5 FDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000377058080 791019040 /nfs/dbraw/zinc/01/90/40/791019040.db2.gz UTTRRKQQCQRTJX-JTQLQIEISA-N -1 1 362.302 1.277 20 5 FDBDMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364305851 784963559 /nfs/dbraw/zinc/96/35/59/784963559.db2.gz TYPZZXTVMCVFQL-LLVKDONJSA-N -1 1 368.353 1.505 20 5 FDBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000759814079 795756248 /nfs/dbraw/zinc/75/62/48/795756248.db2.gz LMDMYRSVAHZAFZ-UHFFFAOYSA-N -1 1 373.778 1.112 20 5 FDBDMM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000843713202 809849786 /nfs/dbraw/zinc/84/97/86/809849786.db2.gz NICOBILJVUAIES-GFCCVEGCSA-N -1 1 368.296 1.451 20 5 FDBDMM Cn1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc([N+](=O)[O-])c1=O ZINC001167936290 811023903 /nfs/dbraw/zinc/02/39/03/811023903.db2.gz YLAACKLNNBBSET-UHFFFAOYSA-N -1 1 365.282 1.378 20 5 FDBDMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436868642 816768315 /nfs/dbraw/zinc/76/83/15/816768315.db2.gz BAYAOPNAEDBHIV-UHFFFAOYSA-N -1 1 358.354 1.713 20 5 FDBDMM NC(=O)CCNC(=O)c1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000518689438 817962477 /nfs/dbraw/zinc/96/24/77/817962477.db2.gz CQWHENPBVDWUJX-UHFFFAOYSA-N -1 1 364.289 1.184 20 5 FDBDMM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000506643356 818029057 /nfs/dbraw/zinc/02/90/57/818029057.db2.gz SNMNICXUXJDTIZ-LBPRGKRZSA-N -1 1 372.381 1.987 20 5 FDBDMM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1(c2nn[n-]n2)CCCC1 ZINC000449924118 829727287 /nfs/dbraw/zinc/72/72/87/829727287.db2.gz HFYPNHBHKBPVIT-UHFFFAOYSA-N -1 1 358.358 1.657 20 5 FDBDMM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000762632458 876275697 /nfs/dbraw/zinc/27/56/97/876275697.db2.gz QRNHYMYDZNSGAL-YPMHNXCESA-N -1 1 351.384 1.780 20 5 FDBDMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000130450280 880769663 /nfs/dbraw/zinc/76/96/63/880769663.db2.gz NFEGKAJGCBQMEB-UHFFFAOYSA-N -1 1 371.353 1.353 20 5 FDBDMM CCn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1=O ZINC000919958365 886457045 /nfs/dbraw/zinc/45/70/45/886457045.db2.gz DBAOHEPSVQWNLP-UHFFFAOYSA-N -1 1 368.327 1.485 20 5 FDBDMM COc1nnc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2NC(C)=O)s1 ZINC001169859821 928945352 /nfs/dbraw/zinc/94/53/52/928945352.db2.gz LXZYKDMIKYNTIF-UHFFFAOYSA-N -1 1 355.307 1.805 20 5 FDBDMM Cc1sc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000767469924 929286157 /nfs/dbraw/zinc/28/61/57/929286157.db2.gz GFMHGIFOWDXDKB-UHFFFAOYSA-N -1 1 359.345 1.573 20 5 FDBDMM CC(C)c1ccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1[N+](=O)[O-] ZINC000807992868 940505546 /nfs/dbraw/zinc/50/55/46/940505546.db2.gz NWFHSCLIABQEBJ-UHFFFAOYSA-N -1 1 360.374 1.355 20 5 FDBDMM Cc1nccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000809809316 940899451 /nfs/dbraw/zinc/89/94/51/940899451.db2.gz LKQPDCRNUQBWTO-UHFFFAOYSA-N -1 1 360.754 1.964 20 5 FDBDMM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809833638 940903593 /nfs/dbraw/zinc/90/35/93/940903593.db2.gz LHVHRFMNOREGFF-QWRGUYRKSA-N -1 1 352.771 1.825 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cnc(Cl)s2)c([N+](=O)[O-])n1 ZINC000809848980 940907164 /nfs/dbraw/zinc/90/71/64/940907164.db2.gz DNTNQTDDZAMIEC-UHFFFAOYSA-N -1 1 351.797 1.400 20 5 FDBDMM CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809826432 940910807 /nfs/dbraw/zinc/91/08/07/940910807.db2.gz FAKLSYQHPZJKAH-ZETCQYMHSA-N -1 1 368.770 1.865 20 5 FDBDMM Cn1[n-]cc2c(=NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])ccnc1-2 ZINC000812319873 941192893 /nfs/dbraw/zinc/19/28/93/941192893.db2.gz VIEFJDJAIFUOEY-UHFFFAOYSA-N -1 1 351.319 1.190 20 5 FDBDMM O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000813444177 941382915 /nfs/dbraw/zinc/38/29/15/941382915.db2.gz BKHBZDFSXGNASF-SECBINFHSA-N -1 1 373.156 1.628 20 5 FDBDMM C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814986563 941747150 /nfs/dbraw/zinc/74/71/50/941747150.db2.gz JHJMLGHYITXBHB-MRVPVSSYSA-N -1 1 362.770 1.951 20 5 FDBDMM C[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814990452 941748618 /nfs/dbraw/zinc/74/86/18/941748618.db2.gz PWVSBEIXUWHVAK-MRVPVSSYSA-N -1 1 362.770 1.951 20 5 FDBDMM COC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815016827 941754239 /nfs/dbraw/zinc/75/42/39/941754239.db2.gz ACMGYXZSUJYDSP-LLVKDONJSA-N -1 1 356.759 1.063 20 5 FDBDMM CN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1=O ZINC000815020972 941755543 /nfs/dbraw/zinc/75/55/43/941755543.db2.gz IRLCILDAHUZOEW-SECBINFHSA-N -1 1 365.770 1.286 20 5 FDBDMM O=C(C=Cc1ccccc1)NCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000816526282 942253992 /nfs/dbraw/zinc/25/39/92/942253992.db2.gz ACMZNDHKHHKMQZ-FPLPWBNLSA-N -1 1 370.365 1.645 20 5 FDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1COC2(CCCCCC2)O1 ZINC000776882782 971100106 /nfs/dbraw/zinc/10/01/06/971100106.db2.gz SYPCBTFHQKKXPF-GFCCVEGCSA-N -1 1 371.415 1.734 20 5 FDBDMM O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000823191114 945536519 /nfs/dbraw/zinc/53/65/19/945536519.db2.gz NEBLCPYYAQGAGC-SNVBAGLBSA-N -1 1 372.263 1.340 20 5 FDBDMM Cc1nsc(N(C)C(=O)c2ccc([N+](=O)[O-])s2)c1-c1nnn[n-]1 ZINC000822530778 946116059 /nfs/dbraw/zinc/11/60/59/946116059.db2.gz OMOYGFGBXTZYIQ-UHFFFAOYSA-N -1 1 351.373 1.878 20 5 FDBDMM Cc1nsc(N(C)C(=O)c2ccc([N+](=O)[O-])s2)c1-c1nn[n-]n1 ZINC000822530778 946116064 /nfs/dbraw/zinc/11/60/64/946116064.db2.gz OMOYGFGBXTZYIQ-UHFFFAOYSA-N -1 1 351.373 1.878 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCOCC23CCCC3)c([N+](=O)[O-])n1 ZINC001196080881 971444752 /nfs/dbraw/zinc/44/47/52/971444752.db2.gz VOLHXYKQQULUDB-LBPRGKRZSA-N -1 1 358.420 1.439 20 5 FDBDMM CCO[N-]C(=O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000846003847 950317527 /nfs/dbraw/zinc/31/75/27/950317527.db2.gz QYWVQIUGPJWPQB-UHFFFAOYSA-N -1 1 372.186 1.248 20 5 FDBDMM Cn1nccc1[C@@H](O)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000857363065 971733784 /nfs/dbraw/zinc/73/37/84/971733784.db2.gz LOZFQVVMVGYBLF-AWEZNQCLSA-N -1 1 361.358 1.015 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2COC3(CCCCC3)O2)c([N+](=O)[O-])n1 ZINC000775727951 971794598 /nfs/dbraw/zinc/79/45/98/971794598.db2.gz AJWGCCLTFLRITR-LLVKDONJSA-N -1 1 374.419 1.165 20 5 FDBDMM CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001146940428 952259100 /nfs/dbraw/zinc/25/91/00/952259100.db2.gz NGCHSJJKKAHINF-LLVKDONJSA-N -1 1 369.374 1.373 20 5 FDBDMM COC(=O)COc1ccc(CN2CCC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001593851136 955459124 /nfs/dbraw/zinc/45/91/24/955459124.db2.gz BSBXDUVVIWRWIF-GFCCVEGCSA-N -1 1 352.343 1.443 20 5 FDBDMM COC[C@]1(C(=O)[O-])CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001593966666 956555406 /nfs/dbraw/zinc/55/54/06/956555406.db2.gz MPWACLJTXUNDQC-YOEHRIQHSA-N -1 1 363.370 1.123 20 5 FDBDMM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000773495027 963183613 /nfs/dbraw/zinc/18/36/13/963183613.db2.gz FBLCFVDDTKWBAN-UHFFFAOYSA-N -1 1 361.358 1.769 20 5 FDBDMM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC001185869316 964166723 /nfs/dbraw/zinc/16/67/23/964166723.db2.gz FELCJVNKFOBIFI-UHFFFAOYSA-N -1 1 365.367 1.645 20 5 FDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(CF)CCOCC2)cc1F ZINC000867332926 974572229 /nfs/dbraw/zinc/57/22/29/974572229.db2.gz GBFWKYBOOHKMBI-UHFFFAOYSA-N -1 1 350.343 1.839 20 5 FDBDMM COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000776269679 975281406 /nfs/dbraw/zinc/28/14/06/975281406.db2.gz NDDJMUOWDDYSSO-VHSXEESVSA-N -1 1 352.347 1.292 20 5 FDBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000827374430 978957497 /nfs/dbraw/zinc/95/74/97/978957497.db2.gz IGHYNHTWMXBXCT-LLVKDONJSA-N -1 1 360.370 1.697 20 5 FDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C(CF)CF)ccc1Br ZINC000885417720 985382247 /nfs/dbraw/zinc/38/22/47/985382247.db2.gz BLSLNCFZNUWHNZ-UHFFFAOYSA-N -1 1 359.148 1.943 20 5 FDBDMM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@H+]1CCC(=O)[O-] ZINC001594490080 985597703 /nfs/dbraw/zinc/59/77/03/985597703.db2.gz VCNAMCCYNAAQAS-SECBINFHSA-N -1 1 371.777 1.575 20 5 FDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001594514387 985835026 /nfs/dbraw/zinc/83/50/26/985835026.db2.gz GTIGKHWYBLNFCR-LBPRGKRZSA-N -1 1 367.377 1.674 20 5 FDBDMM O=C(NCc1noc(-c2ccccc2F)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000370140171 989486380 /nfs/dbraw/zinc/48/63/80/989486380.db2.gz KJWUARWCPFWJFC-UHFFFAOYSA-N -1 1 359.273 1.815 20 5 FDBDMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1CCC(=O)[O-] ZINC001594463257 999677776 /nfs/dbraw/zinc/67/77/76/999677776.db2.gz UWFDFXGLGPERKR-KCXAZCMYSA-N -1 1 361.398 1.706 20 5 FDBDMM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289356381 1000093064 /nfs/dbraw/zinc/09/30/64/1000093064.db2.gz GUCXLYHJQRKHIA-WDEREUQCSA-N -1 1 360.374 1.213 20 5 FDBDMM O=c1nc([C@@H]2CCCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)[nH][n-]1 ZINC000289543555 1000105516 /nfs/dbraw/zinc/10/55/16/1000105516.db2.gz WVGDNBIMMHACBJ-LLVKDONJSA-N -1 1 371.357 1.436 20 5 FDBDMM CSc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1[N+](=O)[O-] ZINC000512645683 538978375 /nfs/dbraw/zinc/97/83/75/538978375.db2.gz LKXLCWXJFQVIQV-UHFFFAOYSA-N -1 1 357.373 1.091 20 5 FDBDMM CSc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1[N+](=O)[O-] ZINC000512645683 538978376 /nfs/dbraw/zinc/97/83/76/538978376.db2.gz LKXLCWXJFQVIQV-UHFFFAOYSA-N -1 1 357.373 1.091 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3c(c2)OCCO3)s1 ZINC000512778583 538980595 /nfs/dbraw/zinc/98/05/95/538980595.db2.gz IAVAJFWIGBXSNS-UHFFFAOYSA-N -1 1 370.408 1.949 20 5 FDBDMM Cn1c2ccccc2cc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1=O ZINC000516614635 539025487 /nfs/dbraw/zinc/02/54/87/539025487.db2.gz ABPGWGOQBYKRQI-UHFFFAOYSA-N -1 1 374.378 1.320 20 5 FDBDMM O=C(CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Nc1ccccc1 ZINC000525176085 539683491 /nfs/dbraw/zinc/68/34/91/539683491.db2.gz RCOXADORUFRIJU-UHFFFAOYSA-N -1 1 350.356 1.297 20 5 FDBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1OC ZINC000274757230 181160837 /nfs/dbraw/zinc/16/08/37/181160837.db2.gz MSEWFHPAAIQAOH-JLLWLGSASA-N -1 1 364.807 1.719 20 5 FDBDMM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274926568 181197446 /nfs/dbraw/zinc/19/74/46/181197446.db2.gz CEXJLRJYZKSDEE-SNVBAGLBSA-N -1 1 354.388 1.125 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(COC)cc2)c([N+](=O)[O-])n1 ZINC000533175480 540210449 /nfs/dbraw/zinc/21/04/49/540210449.db2.gz ZKCMASYWJQFNGL-UHFFFAOYSA-N -1 1 354.388 1.436 20 5 FDBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000275032172 181221754 /nfs/dbraw/zinc/22/17/54/181221754.db2.gz UJABAOBFWNFNOX-ZDUSSCGKSA-N -1 1 371.415 1.121 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])n1 ZINC000533635766 540273923 /nfs/dbraw/zinc/27/39/23/540273923.db2.gz NJQYITKJSGDHCA-RYUDHWBXSA-N -1 1 368.419 1.470 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCCc2c(C)nn(C)c2C)c([N+](=O)[O-])n1 ZINC000538121986 540812761 /nfs/dbraw/zinc/81/27/61/540812761.db2.gz UJLOCTQTPAHKPJ-UHFFFAOYSA-N -1 1 370.435 1.073 20 5 FDBDMM O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000538223772 540827929 /nfs/dbraw/zinc/82/79/29/540827929.db2.gz WSQNHUBAOGLLCH-JTQLQIEISA-N -1 1 353.342 1.676 20 5 FDBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000541086583 541148325 /nfs/dbraw/zinc/14/83/25/541148325.db2.gz WNMHZCHZSCOUPW-UHFFFAOYSA-N -1 1 351.340 1.503 20 5 FDBDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)co1 ZINC000542071974 541330301 /nfs/dbraw/zinc/33/03/01/541330301.db2.gz BHVARNADBUPSFP-UHFFFAOYSA-N -1 1 355.328 1.357 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](SC)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000542239962 541361055 /nfs/dbraw/zinc/36/10/55/541361055.db2.gz FWAAGZROMIZWIR-JTQLQIEISA-N -1 1 350.466 1.867 20 5 FDBDMM O=C1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CN1c1ccc(F)cc1 ZINC000545832299 542023085 /nfs/dbraw/zinc/02/30/85/542023085.db2.gz IDJNEXJRLQKUAS-JTQLQIEISA-N -1 1 371.371 1.489 20 5 FDBDMM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000546589738 542175420 /nfs/dbraw/zinc/17/54/20/542175420.db2.gz WDMUWCPQARWNMZ-UHFFFAOYSA-N -1 1 356.338 1.294 20 5 FDBDMM CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000295277080 184053139 /nfs/dbraw/zinc/05/31/39/184053139.db2.gz FKVONTJLGMMMDJ-IAZYJMLFSA-N -1 1 364.358 1.291 20 5 FDBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000295843411 184108720 /nfs/dbraw/zinc/10/87/20/184108720.db2.gz WQTAZTSKTLZUCG-OIBJUYFYSA-N -1 1 358.750 1.931 20 5 FDBDMM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000270259576 674185904 /nfs/dbraw/zinc/18/59/04/674185904.db2.gz VSUGEHGVENVQQW-MRVPVSSYSA-N -1 1 370.836 1.350 20 5 FDBDMM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000133234098 173258080 /nfs/dbraw/zinc/25/80/80/173258080.db2.gz WAMXCWGCWFRCMX-SNVBAGLBSA-N -1 1 361.807 1.537 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@@]2(CO)CCCO2)s1 ZINC000555456529 543958844 /nfs/dbraw/zinc/95/88/44/543958844.db2.gz ZPIOTOUKNYEBSL-OLZOCXBDSA-N -1 1 362.429 1.255 20 5 FDBDMM CC(C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289199807 258805214 /nfs/dbraw/zinc/80/52/14/258805214.db2.gz RLYMZDRUPHUWJO-UHFFFAOYSA-N -1 1 370.214 1.705 20 5 FDBDMM O=C(CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)[N-]OCc1ccccc1 ZINC000369010429 260276237 /nfs/dbraw/zinc/27/62/37/260276237.db2.gz NRMPWCAQFQQJJT-OAHLLOKOSA-N -1 1 359.386 1.676 20 5 FDBDMM CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@]2(CCCOC2)O1 ZINC000373518749 261016777 /nfs/dbraw/zinc/01/67/77/261016777.db2.gz DHXWXBWWUWAMRV-LRDDRELGSA-N -1 1 351.359 1.496 20 5 FDBDMM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1=O ZINC000374145728 261084476 /nfs/dbraw/zinc/08/44/76/261084476.db2.gz VGFVLXYYPNJONW-WCABBAIRSA-N -1 1 357.363 1.022 20 5 FDBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H]2CN(c3ccccc3)C2=O)s1 ZINC000374914476 261225780 /nfs/dbraw/zinc/22/57/80/261225780.db2.gz IBUQBVQSGVHFNO-JTQLQIEISA-N -1 1 367.408 1.887 20 5 FDBDMM O=C(Cn1cnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1)NCc1ccccc1 ZINC000506484706 490096474 /nfs/dbraw/zinc/09/64/74/490096474.db2.gz FUGDUIMCTJDJIS-UHFFFAOYSA-N -1 1 369.341 1.083 20 5 FDBDMM COc1cc2c(cc1OC)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000031035068 519407187 /nfs/dbraw/zinc/40/71/87/519407187.db2.gz YBBIGEKVGDELTP-UHFFFAOYSA-N -1 1 359.338 1.499 20 5 FDBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000032087145 519481231 /nfs/dbraw/zinc/48/12/31/519481231.db2.gz NDOLNEHGFRWWET-UHFFFAOYSA-N -1 1 369.330 1.642 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(-n3cccn3)c2)s1 ZINC000064245450 522686296 /nfs/dbraw/zinc/68/62/96/522686296.db2.gz XFKFBJSYSIBLDC-UHFFFAOYSA-N -1 1 365.396 1.716 20 5 FDBDMM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064245081 522687710 /nfs/dbraw/zinc/68/77/10/522687710.db2.gz HWDFWVFPASEQKD-UHFFFAOYSA-N -1 1 370.408 1.964 20 5 FDBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1nc2ccccc2c(=O)[n-]1 ZINC000074272950 522733193 /nfs/dbraw/zinc/73/31/93/522733193.db2.gz JOSSXVOUJVZTEI-UHFFFAOYSA-N -1 1 353.338 1.673 20 5 FDBDMM O=C(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)NC1CCCCC1 ZINC000066001352 522935304 /nfs/dbraw/zinc/93/53/04/522935304.db2.gz WJOFNIOOSACUNP-UHFFFAOYSA-N -1 1 361.445 1.774 20 5 FDBDMM O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067093295 523317170 /nfs/dbraw/zinc/31/71/70/523317170.db2.gz YHUSFQFEKXTIDF-UHFFFAOYSA-N -1 1 363.399 1.921 20 5 FDBDMM C[C@H](c1cccnc1)N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000114800735 524876743 /nfs/dbraw/zinc/87/67/43/524876743.db2.gz GKJDZWJZYBDDIY-GFCCVEGCSA-N -1 1 357.370 1.609 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nccn2C(F)F)c(F)c1 ZINC000175835902 525017768 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C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@@H]1C ZINC000824658242 607566779 /nfs/dbraw/zinc/56/67/79/607566779.db2.gz VDRYTAOCWOLTBM-WDEREUQCSA-N -1 1 359.390 1.976 20 5 FDBDMM CC(C)CC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824243436 607573123 /nfs/dbraw/zinc/57/31/23/607573123.db2.gz GBTAHWZMWDLHIV-SNVBAGLBSA-N -1 1 368.419 1.878 20 5 FDBDMM CC(C)CN(C(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824255334 607586382 /nfs/dbraw/zinc/58/63/82/607586382.db2.gz FKWHPMDPRHXSKZ-UHFFFAOYSA-N -1 1 368.419 1.830 20 5 FDBDMM CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(C)C ZINC000825147574 607597567 /nfs/dbraw/zinc/59/75/67/607597567.db2.gz JTFYWWKRJQASEX-VIFPVBQESA-N -1 1 354.392 1.488 20 5 FDBDMM CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCC1 ZINC000824822954 607611874 /nfs/dbraw/zinc/61/18/74/607611874.db2.gz HHFXUXZOQKIDHV-UHFFFAOYSA-N -1 1 366.403 1.634 20 5 FDBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000740153292 603359483 /nfs/dbraw/zinc/35/94/83/603359483.db2.gz QCVURTDQWQWCKB-LBPRGKRZSA-N -1 1 350.375 1.916 20 5 FDBDMM COc1cc(CNC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])c([N+](=O)[O-])cc1O ZINC000829124381 603566142 /nfs/dbraw/zinc/56/61/42/603566142.db2.gz GDIJNEHZAXVBET-SKDRFNHKSA-N -1 1 369.374 1.902 20 5 FDBDMM COc1ccc(OCCN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000829499672 603567043 /nfs/dbraw/zinc/56/70/43/603567043.db2.gz BNDAUZNUOUAOOD-WCQYABFASA-N -1 1 353.375 1.960 20 5 FDBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000830427893 604770697 /nfs/dbraw/zinc/77/06/97/604770697.db2.gz PUVJPXVKFJAMCE-GFCCVEGCSA-N -1 1 350.375 1.376 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](OCc2ccncc2)C1 ZINC000826497127 607728698 /nfs/dbraw/zinc/72/86/98/607728698.db2.gz VIMWOAOTUHSCPJ-LBPRGKRZSA-N -1 1 368.357 1.360 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](OCc2ccncc2)C1 ZINC000826497127 607728700 /nfs/dbraw/zinc/72/87/00/607728700.db2.gz VIMWOAOTUHSCPJ-LBPRGKRZSA-N -1 1 368.357 1.360 20 5 FDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824453023 605393108 /nfs/dbraw/zinc/39/31/08/605393108.db2.gz FDNXDBVFCVJWNC-NXEZZACHSA-N -1 1 353.379 1.950 20 5 FDBDMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000833832948 605907422 /nfs/dbraw/zinc/90/74/22/605907422.db2.gz VOQHTVJPAQIOFW-XUJVJEKNSA-N -1 1 362.386 1.678 20 5 FDBDMM O=C(NCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000823201511 606645190 /nfs/dbraw/zinc/64/51/90/606645190.db2.gz IMPCGTKNFSPHDQ-UHFFFAOYSA-N -1 1 353.342 1.617 20 5 FDBDMM CCNC(=O)c1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821293378 606697912 /nfs/dbraw/zinc/69/79/12/606697912.db2.gz KXVBYCRJEUERGC-UHFFFAOYSA-N -1 1 368.357 1.532 20 5 FDBDMM CCNC(=O)c1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821293378 606697913 /nfs/dbraw/zinc/69/79/13/606697913.db2.gz KXVBYCRJEUERGC-UHFFFAOYSA-N -1 1 368.357 1.532 20 5 FDBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820462249 606699622 /nfs/dbraw/zinc/69/96/22/606699622.db2.gz WKBPWAYLBYKFHH-SSDOTTSWSA-N -1 1 367.329 1.925 20 5 FDBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000820462249 606699624 /nfs/dbraw/zinc/69/96/24/606699624.db2.gz WKBPWAYLBYKFHH-SSDOTTSWSA-N -1 1 367.329 1.925 20 5 FDBDMM O=C(NCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1F ZINC000823206485 606702060 /nfs/dbraw/zinc/70/20/60/606702060.db2.gz SLVSZXFSXOUWMR-UHFFFAOYSA-N -1 1 372.320 1.151 20 5 FDBDMM O=C(NCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1F ZINC000823206485 606702061 /nfs/dbraw/zinc/70/20/61/606702061.db2.gz SLVSZXFSXOUWMR-UHFFFAOYSA-N -1 1 372.320 1.151 20 5 FDBDMM Cn1cc([C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)cn1 ZINC000822673995 606705712 /nfs/dbraw/zinc/70/57/12/606705712.db2.gz JANZKXKRUKNCIG-JTQLQIEISA-N -1 1 355.362 1.287 20 5 FDBDMM Cn1cc([C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)cn1 ZINC000822673995 606705714 /nfs/dbraw/zinc/70/57/14/606705714.db2.gz JANZKXKRUKNCIG-JTQLQIEISA-N -1 1 355.362 1.287 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC000823620038 606707291 /nfs/dbraw/zinc/70/72/91/606707291.db2.gz HFQHUNHSOPTWHB-CYBMUJFWSA-N -1 1 371.332 1.887 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC000823620038 606707293 /nfs/dbraw/zinc/70/72/93/606707293.db2.gz HFQHUNHSOPTWHB-CYBMUJFWSA-N -1 1 371.332 1.887 20 5 FDBDMM COc1cccc([C@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821863918 606710058 /nfs/dbraw/zinc/71/00/58/606710058.db2.gz QYDYOUCDKFFNTG-GFCCVEGCSA-N -1 1 357.330 1.324 20 5 FDBDMM COc1cccc([C@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821863918 606710059 /nfs/dbraw/zinc/71/00/59/606710059.db2.gz QYDYOUCDKFFNTG-GFCCVEGCSA-N -1 1 357.330 1.324 20 5 FDBDMM COc1cc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1O ZINC000821712960 606710934 /nfs/dbraw/zinc/71/09/34/606710934.db2.gz PCBZNNZCYLXJKS-UHFFFAOYSA-N -1 1 357.330 1.539 20 5 FDBDMM COc1cc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1O ZINC000821712960 606710935 /nfs/dbraw/zinc/71/09/35/606710935.db2.gz PCBZNNZCYLXJKS-UHFFFAOYSA-N -1 1 357.330 1.539 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1OCCc2sccc21 ZINC000823625524 606714364 /nfs/dbraw/zinc/71/43/64/606714364.db2.gz XRIZIHPVJQLSKM-JTQLQIEISA-N -1 1 359.371 1.957 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1OCCc2sccc21 ZINC000823625524 606714365 /nfs/dbraw/zinc/71/43/65/606714365.db2.gz XRIZIHPVJQLSKM-JTQLQIEISA-N -1 1 359.371 1.957 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2C3CCC2CC3)c1-c1nn[n-]n1 ZINC000823648636 606731930 /nfs/dbraw/zinc/73/19/30/606731930.db2.gz ZXASXPDWDSKGEZ-UHFFFAOYSA-N -1 1 350.360 1.090 20 5 FDBDMM CN(Cc1ccc2c(c1)OCCO2)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821612271 607162486 /nfs/dbraw/zinc/16/24/86/607162486.db2.gz PCNDKKSXKFXFQY-UHFFFAOYSA-N -1 1 369.341 1.578 20 5 FDBDMM CN(Cc1ccc2c(c1)OCCO2)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821612271 607162488 /nfs/dbraw/zinc/16/24/88/607162488.db2.gz PCNDKKSXKFXFQY-UHFFFAOYSA-N -1 1 369.341 1.578 20 5 FDBDMM O=C1Nc2ccccc2[C@@H]1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000823547842 607163366 /nfs/dbraw/zinc/16/33/66/607163366.db2.gz PMBCJYPGVKQJOM-JTQLQIEISA-N -1 1 366.341 1.708 20 5 FDBDMM O=C1Nc2ccccc2[C@@H]1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000823547842 607163367 /nfs/dbraw/zinc/16/33/67/607163367.db2.gz PMBCJYPGVKQJOM-JTQLQIEISA-N -1 1 366.341 1.708 20 5 FDBDMM COc1ccc([C@@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821782816 607167511 /nfs/dbraw/zinc/16/75/11/607167511.db2.gz OPPZVDXEVZUJJD-LBPRGKRZSA-N -1 1 357.330 1.324 20 5 FDBDMM COc1ccc([C@@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821782816 607167513 /nfs/dbraw/zinc/16/75/13/607167513.db2.gz OPPZVDXEVZUJJD-LBPRGKRZSA-N -1 1 357.330 1.324 20 5 FDBDMM O=[N+]([O-])c1ccc(N2CCC[C@H](Cn3cncn3)C2)cc1-c1nnn[n-]1 ZINC000826498927 607842483 /nfs/dbraw/zinc/84/24/83/607842483.db2.gz ORCRGEJDBDRBDP-NSHDSACASA-N -1 1 355.362 1.283 20 5 FDBDMM O=[N+]([O-])c1ccc(N2CCC[C@H](Cn3cncn3)C2)cc1-c1nn[n-]n1 ZINC000826498927 607842484 /nfs/dbraw/zinc/84/24/84/607842484.db2.gz ORCRGEJDBDRBDP-NSHDSACASA-N -1 1 355.362 1.283 20 5 FDBDMM COCC[C@@H](Cc1ccco1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826154694 609590037 /nfs/dbraw/zinc/59/00/37/609590037.db2.gz VUOITXMWGJCTQQ-JTQLQIEISA-N -1 1 359.346 1.823 20 5 FDBDMM COCC[C@@H](Cc1ccco1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826154694 609590038 /nfs/dbraw/zinc/59/00/38/609590038.db2.gz VUOITXMWGJCTQQ-JTQLQIEISA-N -1 1 359.346 1.823 20 5 FDBDMM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000278619441 675162127 /nfs/dbraw/zinc/16/21/27/675162127.db2.gz DHGXTTBDCLSPLY-QPUJVOFHSA-N -1 1 350.780 1.066 20 5 FDBDMM NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000172612651 672069933 /nfs/dbraw/zinc/06/99/33/672069933.db2.gz QFOQERNXRDCPQE-WCBMZHEXSA-N -1 1 361.807 1.571 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cnn(C)c1 ZINC000266179487 673073889 /nfs/dbraw/zinc/07/38/89/673073889.db2.gz LAWNVXCAEYZSDM-VIFPVBQESA-N -1 1 368.371 1.139 20 5 FDBDMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)no1 ZINC000289595775 676156888 /nfs/dbraw/zinc/15/68/88/676156888.db2.gz QAUYGYRZJJFQLM-JTQLQIEISA-N -1 1 370.387 1.862 20 5 FDBDMM C[S@](=O)C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289660398 676163954 /nfs/dbraw/zinc/16/39/54/676163954.db2.gz BLQRZEUSXGOATB-NRFANRHFSA-N -1 1 370.811 1.577 20 5 FDBDMM COc1cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000284988799 675777530 /nfs/dbraw/zinc/77/75/30/675777530.db2.gz FFDQCTCRZWVNFG-UHFFFAOYSA-N -1 1 353.360 1.790 20 5 FDBDMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)o1 ZINC000350867887 676843834 /nfs/dbraw/zinc/84/38/34/676843834.db2.gz JTFMJHPAWLFFKY-UHFFFAOYSA-N -1 1 356.341 1.874 20 5 FDBDMM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370049222 677539955 /nfs/dbraw/zinc/53/99/55/677539955.db2.gz HCFTVYNANFHVLW-NSHDSACASA-N -1 1 370.728 1.043 20 5 FDBDMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC000416420253 679613515 /nfs/dbraw/zinc/61/35/15/679613515.db2.gz YCXJENPYECQPMR-UHFFFAOYSA-N -1 1 374.268 1.560 20 5 FDBDMM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000433475875 681194960 /nfs/dbraw/zinc/19/49/60/681194960.db2.gz VCCHGCJQHHWGNP-ZYHUDNBSSA-N -1 1 364.807 1.721 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)c([N+](=O)[O-])n1 ZINC000435425622 681592408 /nfs/dbraw/zinc/59/24/08/681592408.db2.gz DTKMXMXAGDIJGO-LDYMZIIASA-N -1 1 372.353 1.924 20 5 FDBDMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444994144 682441774 /nfs/dbraw/zinc/44/17/74/682441774.db2.gz UKXWMCMNWXQGOB-QWHCGFSZSA-N -1 1 350.375 1.557 20 5 FDBDMM CC[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](CC)CN1C(C)=O ZINC000444994142 682441894 /nfs/dbraw/zinc/44/18/94/682441894.db2.gz UKXWMCMNWXQGOB-CHWSQXEVSA-N -1 1 350.375 1.557 20 5 FDBDMM Cc1ccc(CO)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471109057 685109907 /nfs/dbraw/zinc/10/99/07/685109907.db2.gz VHFSGGQXCICNKT-UHFFFAOYSA-N -1 1 366.351 1.895 20 5 FDBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)ccc1[N+](=O)[O-] ZINC000471125188 685111379 /nfs/dbraw/zinc/11/13/79/685111379.db2.gz QKAQUKXZYXANTR-UHFFFAOYSA-N -1 1 362.323 1.970 20 5 FDBDMM C[C@@H]1CCN(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000477281861 685836302 /nfs/dbraw/zinc/83/63/02/685836302.db2.gz XCHCMHONHQVGMU-SNVBAGLBSA-N -1 1 351.388 1.983 20 5 FDBDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])o1 ZINC000479158351 686001262 /nfs/dbraw/zinc/00/12/62/686001262.db2.gz GLZVBRPGMJWIGR-UHFFFAOYSA-N -1 1 354.340 1.843 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])n1 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O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(Cn2cccn2)CC1 ZINC000823620021 606708753 /nfs/dbraw/zinc/70/87/53/606708753.db2.gz GOYGEBZYRIZSMG-UHFFFAOYSA-N -1 1 355.362 1.283 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(Cn2cccn2)CC1 ZINC000823620021 606708755 /nfs/dbraw/zinc/70/87/55/606708755.db2.gz GOYGEBZYRIZSMG-UHFFFAOYSA-N -1 1 355.362 1.283 20 5 FDBDMM CC(=O)Nc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000819826037 606711608 /nfs/dbraw/zinc/71/16/08/606711608.db2.gz DEIMDZVUVSUQTQ-UHFFFAOYSA-N -1 1 354.330 1.740 20 5 FDBDMM CC(=O)Nc1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000819826037 606711609 /nfs/dbraw/zinc/71/16/09/606711609.db2.gz DEIMDZVUVSUQTQ-UHFFFAOYSA-N -1 1 354.330 1.740 20 5 FDBDMM C[C@@H](N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1)C(F)(F)F ZINC000824465688 607842850 /nfs/dbraw/zinc/84/28/50/607842850.db2.gz RKQLKNPRWZBHQU-SECBINFHSA-N -1 1 371.323 1.848 20 5 FDBDMM C[C@@H](N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1)C(F)(F)F ZINC000824465688 607842851 /nfs/dbraw/zinc/84/28/51/607842851.db2.gz RKQLKNPRWZBHQU-SECBINFHSA-N -1 1 371.323 1.848 20 5 FDBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000825001262 608100443 /nfs/dbraw/zinc/10/04/43/608100443.db2.gz YDQVHACNHUPBOO-QMMMGPOBSA-N -1 1 372.311 1.243 20 5 FDBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000825001262 608100444 /nfs/dbraw/zinc/10/04/44/608100444.db2.gz YDQVHACNHUPBOO-QMMMGPOBSA-N -1 1 372.311 1.243 20 5 FDBDMM CN1Cc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2C1=O ZINC000826044907 608553741 /nfs/dbraw/zinc/55/37/41/608553741.db2.gz MJWSCZKJWYWCAF-UHFFFAOYSA-N -1 1 353.298 1.548 20 5 FDBDMM CN1Cc2cc(Oc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc2C1=O ZINC000826044907 608553743 /nfs/dbraw/zinc/55/37/43/608553743.db2.gz MJWSCZKJWYWCAF-UHFFFAOYSA-N -1 1 353.298 1.548 20 5 FDBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)CC ZINC000273770687 674570513 /nfs/dbraw/zinc/57/05/13/674570513.db2.gz ZKBSEEYPNBVTQD-RISCZKNCSA-N -1 1 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ZINC000826292638 607571722 /nfs/dbraw/zinc/57/17/22/607571722.db2.gz DYJAOMDLJUZUCR-UHFFFAOYSA-N -1 1 361.339 1.851 20 5 FDBDMM C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824938080 607575738 /nfs/dbraw/zinc/57/57/38/607575738.db2.gz SJOJVXIJNBAGOA-NXEZZACHSA-N -1 1 366.403 1.632 20 5 FDBDMM O=C([O-])N1CCCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000740520448 602868255 /nfs/dbraw/zinc/86/82/55/602868255.db2.gz RMDBMZYRPXSBEZ-VIFPVBQESA-N -1 1 361.351 1.545 20 5 FDBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000829226430 603995496 /nfs/dbraw/zinc/99/54/96/603995496.db2.gz YOVVNPDRPHEKQJ-UHFFFAOYSA-N -1 1 366.374 1.616 20 5 FDBDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000825264505 604228288 /nfs/dbraw/zinc/22/82/88/604228288.db2.gz KXGBGNNOSJRCMC-JQWIXIFHSA-N -1 1 350.375 1.562 20 5 FDBDMM CC[C@@H](O)CN1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829004690 604267412 /nfs/dbraw/zinc/26/74/12/604267412.db2.gz OUWCKYMVOSUVHO-SNVBAGLBSA-N -1 1 357.794 1.839 20 5 FDBDMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)n1 ZINC000832730526 605439033 /nfs/dbraw/zinc/43/90/33/605439033.db2.gz TXDSBGOFZOFMAU-UHFFFAOYSA-N -1 1 371.313 1.728 20 5 FDBDMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)n[nH]1 ZINC000832730526 605439037 /nfs/dbraw/zinc/43/90/37/605439037.db2.gz TXDSBGOFZOFMAU-UHFFFAOYSA-N -1 1 371.313 1.728 20 5 FDBDMM CNC(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821635312 606644746 /nfs/dbraw/zinc/64/47/46/606644746.db2.gz WXYNLMOEBHVKKV-UHFFFAOYSA-N -1 1 353.342 1.747 20 5 FDBDMM Cc1nc(C[C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)no1 ZINC000822435837 606705549 /nfs/dbraw/zinc/70/55/49/606705549.db2.gz CERWRLXYSIIISV-JTQLQIEISA-N -1 1 371.361 1.320 20 5 FDBDMM Cc1nc(C[C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)no1 ZINC000822435837 606705551 /nfs/dbraw/zinc/70/55/51/606705551.db2.gz CERWRLXYSIIISV-JTQLQIEISA-N -1 1 371.361 1.320 20 5 FDBDMM CC(C)C(=O)NC[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820012317 606706326 /nfs/dbraw/zinc/70/63/26/606706326.db2.gz ZDQCNYPVNCABEE-LLVKDONJSA-N -1 1 374.405 1.159 20 5 FDBDMM CC(C)C(=O)NC[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820012317 606706328 /nfs/dbraw/zinc/70/63/28/606706328.db2.gz ZDQCNYPVNCABEE-LLVKDONJSA-N -1 1 374.405 1.159 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCn1cnc2ccccc21 ZINC000823625125 606706466 /nfs/dbraw/zinc/70/64/66/606706466.db2.gz PUCCCMMYYNTIJT-UHFFFAOYSA-N -1 1 351.330 1.632 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCn1cnc2ccccc21 ZINC000823625125 606706467 /nfs/dbraw/zinc/70/64/67/606706467.db2.gz PUCCCMMYYNTIJT-UHFFFAOYSA-N -1 1 351.330 1.632 20 5 FDBDMM Cc1cc(C)n([C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)n1 ZINC000822198023 606708502 /nfs/dbraw/zinc/70/85/02/606708502.db2.gz YZMMQNDRRHLRGW-LBPRGKRZSA-N -1 1 369.389 1.825 20 5 FDBDMM Cc1cc(C)n([C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)n1 ZINC000822198023 606708504 /nfs/dbraw/zinc/70/85/04/606708504.db2.gz YZMMQNDRRHLRGW-LBPRGKRZSA-N -1 1 369.389 1.825 20 5 FDBDMM C[S@](=O)Cc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821941651 606711334 /nfs/dbraw/zinc/71/13/34/606711334.db2.gz HMYJMYXAFDMDCE-VWLOTQADSA-N -1 1 359.371 1.792 20 5 FDBDMM C[S@](=O)Cc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821941651 606711335 /nfs/dbraw/zinc/71/13/35/606711335.db2.gz HMYJMYXAFDMDCE-VWLOTQADSA-N -1 1 359.371 1.792 20 5 FDBDMM C[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000820727454 606719405 /nfs/dbraw/zinc/71/94/05/606719405.db2.gz MBFSJOQSMMTTDW-PWSUYJOCSA-N -1 1 355.362 1.454 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ccc(Cl)cn1 ZINC000823625097 606723656 /nfs/dbraw/zinc/72/36/56/606723656.db2.gz OTUCPURFQULJBZ-UHFFFAOYSA-N -1 1 362.737 1.709 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ccc(Cl)cn1 ZINC000823625097 606723658 /nfs/dbraw/zinc/72/36/58/606723658.db2.gz OTUCPURFQULJBZ-UHFFFAOYSA-N -1 1 362.737 1.709 20 5 FDBDMM Cc1nc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1[C@H](C)O ZINC000273601833 674552892 /nfs/dbraw/zinc/55/28/92/674552892.db2.gz RTUAVKQXWVYFLV-JTQLQIEISA-N -1 1 369.374 1.969 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000823648626 607154914 /nfs/dbraw/zinc/15/49/14/607154914.db2.gz ZKPUATGEVILKSQ-UHFFFAOYSA-N -1 1 372.366 1.526 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2ccccc2F)CC1 ZINC000823621157 607162226 /nfs/dbraw/zinc/16/22/26/607162226.db2.gz XGOHRUJAMLXVNO-UHFFFAOYSA-N -1 1 370.348 1.636 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2ccccc2F)CC1 ZINC000823621157 607162227 /nfs/dbraw/zinc/16/22/27/607162227.db2.gz XGOHRUJAMLXVNO-UHFFFAOYSA-N -1 1 370.348 1.636 20 5 FDBDMM CN(C[C@@H]1COc2ccccc2O1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821597813 607162509 /nfs/dbraw/zinc/16/25/09/607162509.db2.gz IKIVDGMFLDWUSF-SNVBAGLBSA-N -1 1 369.341 1.446 20 5 FDBDMM CN(C[C@@H]1COc2ccccc2O1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821597813 607162511 /nfs/dbraw/zinc/16/25/11/607162511.db2.gz IKIVDGMFLDWUSF-SNVBAGLBSA-N -1 1 369.341 1.446 20 5 FDBDMM Cc1cc(C)n2nc(Sc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])nc2n1 ZINC000822198695 607166042 /nfs/dbraw/zinc/16/60/42/607166042.db2.gz GXOGJVNIFOWOBB-UHFFFAOYSA-N -1 1 370.358 1.376 20 5 FDBDMM Cc1cc(C)n2nc(Sc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])nc2n1 ZINC000822198695 607166043 /nfs/dbraw/zinc/16/60/43/607166043.db2.gz GXOGJVNIFOWOBB-UHFFFAOYSA-N -1 1 370.358 1.376 20 5 FDBDMM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-c2nnn[n-]2)s1 ZINC000826459737 608002717 /nfs/dbraw/zinc/00/27/17/608002717.db2.gz XNTQDYYQYOBBHA-UHFFFAOYSA-N -1 1 356.327 1.965 20 5 FDBDMM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[n-]n2)s1 ZINC000826459737 608002718 /nfs/dbraw/zinc/00/27/18/608002718.db2.gz XNTQDYYQYOBBHA-UHFFFAOYSA-N -1 1 356.327 1.965 20 5 FDBDMM Cc1nn(C)c(C)c1CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826333898 608414417 /nfs/dbraw/zinc/41/44/17/608414417.db2.gz YWCRGFSLUAKDRQ-UHFFFAOYSA-N -1 1 357.378 1.565 20 5 FDBDMM Cc1nn(C)c(C)c1CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826333898 608414418 /nfs/dbraw/zinc/41/44/18/608414418.db2.gz YWCRGFSLUAKDRQ-UHFFFAOYSA-N -1 1 357.378 1.565 20 5 FDBDMM COc1ccc2c(c1)OC[C@@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000826213221 608440528 /nfs/dbraw/zinc/44/05/28/608440528.db2.gz OUXMEPUKTSMWOH-JTQLQIEISA-N -1 1 369.341 1.594 20 5 FDBDMM COc1ccc2c(c1)OC[C@@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000826213221 608440530 /nfs/dbraw/zinc/44/05/30/608440530.db2.gz OUXMEPUKTSMWOH-JTQLQIEISA-N -1 1 369.341 1.594 20 5 FDBDMM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000278075146 675088940 /nfs/dbraw/zinc/08/89/40/675088940.db2.gz GQTUPVOUUSLMSA-SNVBAGLBSA-N -1 1 352.347 1.435 20 5 FDBDMM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc2cn[nH]c21 ZINC000120556393 671691970 /nfs/dbraw/zinc/69/19/70/671691970.db2.gz ATAYLXBJMSBXLF-UHFFFAOYSA-N -1 1 364.314 1.729 20 5 FDBDMM CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000158675231 671982121 /nfs/dbraw/zinc/98/21/21/671982121.db2.gz DIFBFUGTDUGXQR-SECBINFHSA-N -1 1 367.221 1.797 20 5 FDBDMM NC(=O)c1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194342116 672383477 /nfs/dbraw/zinc/38/34/77/672383477.db2.gz CHXWIUQAFHWWGJ-UHFFFAOYSA-N -1 1 353.331 1.311 20 5 FDBDMM Cc1noc(CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000263885591 672883755 /nfs/dbraw/zinc/88/37/55/672883755.db2.gz OTOFRVJEJUMNDM-UHFFFAOYSA-N -1 1 360.779 1.851 20 5 FDBDMM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCCC(F)(F)F)OCCO2 ZINC000266406296 673117837 /nfs/dbraw/zinc/11/78/37/673117837.db2.gz ATKSNVMIPQPKHM-UHFFFAOYSA-N -1 1 370.305 1.987 20 5 FDBDMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1ncc([N+](=O)[O-])s1 ZINC000282058680 675592014 /nfs/dbraw/zinc/59/20/14/675592014.db2.gz YENZZZLFVHITIC-SECBINFHSA-N -1 1 357.417 1.968 20 5 FDBDMM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416596955 679686637 /nfs/dbraw/zinc/68/66/37/679686637.db2.gz YQIVCRZNGJSIIQ-JTQLQIEISA-N -1 1 362.791 1.868 20 5 FDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000370244458 677556543 /nfs/dbraw/zinc/55/65/43/677556543.db2.gz SKGHPHIEUNDZSH-CYBMUJFWSA-N -1 1 351.359 1.496 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2F)c([N+](=O)[O-])n1 ZINC000416526577 679647260 /nfs/dbraw/zinc/64/72/60/679647260.db2.gz DDEFWKJSEOIBFT-CMPLNLGQSA-N -1 1 354.363 1.785 20 5 FDBDMM COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000416548850 679651999 /nfs/dbraw/zinc/65/19/99/679651999.db2.gz CDIGIAFDVJPUDK-LLVKDONJSA-N -1 1 372.424 1.719 20 5 FDBDMM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000474392393 685404456 /nfs/dbraw/zinc/40/44/56/685404456.db2.gz FRNHZCIERXDDCH-NOZJJQNGSA-N -1 1 364.445 1.501 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccccc2OC)c([N+](=O)[O-])n1 ZINC000435804765 681637596 /nfs/dbraw/zinc/63/75/96/681637596.db2.gz UZNBCECKARSKID-UHFFFAOYSA-N -1 1 354.388 1.341 20 5 FDBDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000436753157 681721769 /nfs/dbraw/zinc/72/17/69/681721769.db2.gz CFSODIHQXFVQAW-UHFFFAOYSA-N -1 1 365.367 1.851 20 5 FDBDMM COC(=O)c1cnc(Oc2ccc([N-]S(C)(=O)=O)nc2)c([N+](=O)[O-])c1 ZINC000439129126 681908507 /nfs/dbraw/zinc/90/85/07/681908507.db2.gz PVVJMRGUSSYMAI-UHFFFAOYSA-N -1 1 368.327 1.335 20 5 FDBDMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000442349440 682146859 /nfs/dbraw/zinc/14/68/59/682146859.db2.gz KUEVQXPDGKFYFH-UHFFFAOYSA-N -1 1 365.367 1.520 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])n1 ZINC000442768556 682179701 /nfs/dbraw/zinc/17/97/01/682179701.db2.gz OLZUYJWXGNNSLM-NSHDSACASA-N -1 1 370.362 1.752 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)c([N+](=O)[O-])n1 ZINC000443933327 682363634 /nfs/dbraw/zinc/36/36/34/682363634.db2.gz DBIJRVCVQWTGLU-UHFFFAOYSA-N -1 1 365.415 1.564 20 5 FDBDMM CCO[C@@H](C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccccc1 ZINC000444988685 682441202 /nfs/dbraw/zinc/44/12/02/682441202.db2.gz OLHZGDNGWSODJP-ZDUSSCGKSA-N -1 1 368.415 1.867 20 5 FDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nnnn1CC1CC1 ZINC000472695256 685236050 /nfs/dbraw/zinc/23/60/50/685236050.db2.gz YFYJZLJPBHSZRI-UHFFFAOYSA-N -1 1 372.794 1.123 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc3c2CCCN3)c([N+](=O)[O-])n1 ZINC000489982845 687124663 /nfs/dbraw/zinc/12/46/63/687124663.db2.gz YWDFHAFUTHDUFY-UHFFFAOYSA-N -1 1 365.415 1.648 20 5 FDBDMM COc1cc(O)cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000504032372 688408653 /nfs/dbraw/zinc/40/86/53/688408653.db2.gz HTDKFPWSSHVLBR-UHFFFAOYSA-N -1 1 368.323 1.808 20 5 FDBDMM COC(=O)CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000522882594 694503465 /nfs/dbraw/zinc/50/34/65/694503465.db2.gz HSUUVSSVYOJLQQ-UHFFFAOYSA-N -1 1 351.344 1.508 20 5 FDBDMM 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CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[nH]1 ZINC000569781104 549043508 /nfs/dbraw/zinc/04/35/08/549043508.db2.gz WTSGIVPPVJFXTN-DTWKUNHWSA-N -1 1 354.392 1.661 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)s1 ZINC000573594851 550173070 /nfs/dbraw/zinc/17/30/70/550173070.db2.gz HAJRMUCEOGTQKJ-LLVKDONJSA-N -1 1 350.418 1.868 20 5 FDBDMM CNc1nccc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c1[N+](=O)[O-] ZINC000578546362 550775751 /nfs/dbraw/zinc/77/57/51/550775751.db2.gz BZBBBRWKKYMINB-UHFFFAOYSA-N -1 1 362.293 2.240 20 5 FDBDMM Cc1o[n-]c(=N)c1S(=O)(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000589222420 551718257 /nfs/dbraw/zinc/71/82/57/551718257.db2.gz UNMPQKXETIWHSV-UHFFFAOYSA-N -1 1 369.403 1.562 20 5 FDBDMM Cc1onc(N)c1S(=O)(=O)[N-]CCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000589222420 551718259 /nfs/dbraw/zinc/71/82/59/551718259.db2.gz UNMPQKXETIWHSV-UHFFFAOYSA-N -1 1 369.403 1.562 20 5 FDBDMM O=C(NC1(c2noc(C(F)F)n2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590434288 551783532 /nfs/dbraw/zinc/78/35/32/551783532.db2.gz OYIGANWHEJGIQC-UHFFFAOYSA-N -1 1 355.257 1.825 20 5 FDBDMM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC000592039514 551930709 /nfs/dbraw/zinc/93/07/09/551930709.db2.gz MZXZZUSWVYBXIY-UHFFFAOYSA-N -1 1 365.293 1.184 20 5 FDBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594471808 552318316 /nfs/dbraw/zinc/31/83/16/552318316.db2.gz MKYQLKNITBRCAA-GARJFASQSA-N -1 1 363.461 1.432 20 5 FDBDMM COC(=O)[C@@]1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@@H](C)CC1 ZINC000594838370 552402966 /nfs/dbraw/zinc/40/29/66/552402966.db2.gz XUAXFAVWOPHCFQ-YPFXGUDJSA-N -1 1 357.388 1.390 20 5 FDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000594852613 552409455 /nfs/dbraw/zinc/40/94/55/552409455.db2.gz MSBYJDLLOZYVLK-KBPBESRZSA-N -1 1 363.395 1.841 20 5 FDBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2nc(CC)cc(=O)n2[n-]1 ZINC000598892001 552940090 /nfs/dbraw/zinc/94/00/90/552940090.db2.gz 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ZINC000600665166 553295846 /nfs/dbraw/zinc/29/58/46/553295846.db2.gz OBOMOFQDYHJDIL-UHFFFAOYSA-N -1 1 360.392 1.030 20 5 FDBDMM C[C@](NC(=O)c1[nH]nc2c1CCCC2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874028 553323286 /nfs/dbraw/zinc/32/32/86/553323286.db2.gz IHBXADFVYMGGGS-QGZVFWFLSA-N -1 1 358.354 1.927 20 5 FDBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1[N-]S(C)(=O)=O ZINC000603458557 553790907 /nfs/dbraw/zinc/79/09/07/553790907.db2.gz SWYQMYUHXZKTPT-UHFFFAOYSA-N -1 1 368.371 1.566 20 5 FDBDMM O=C(NC1CC1)c1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000603909790 553829079 /nfs/dbraw/zinc/82/90/79/553829079.db2.gz QSNHCJYYGCQGLV-UHFFFAOYSA-N -1 1 356.338 1.518 20 5 FDBDMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])NC1CCCC1 ZINC000604502859 553882335 /nfs/dbraw/zinc/88/23/35/553882335.db2.gz SGYAYKCHWSJVRF-UHFFFAOYSA-N -1 1 361.807 1.585 20 5 FDBDMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000609352072 554371489 /nfs/dbraw/zinc/37/14/89/554371489.db2.gz 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O=C(Nc1cc(I)ccc1[O-])c1c[nH]nc1[N+](=O)[O-] ZINC000619787261 555833819 /nfs/dbraw/zinc/83/38/19/555833819.db2.gz HTQLACSEIZKBMC-UHFFFAOYSA-N -1 1 374.094 1.880 20 5 FDBDMM COc1ccnc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)c1 ZINC000436663506 568253418 /nfs/dbraw/zinc/25/34/18/568253418.db2.gz HGCLAKFKCVMRQH-UHFFFAOYSA-N -1 1 358.354 1.666 20 5 FDBDMM O=C([O-])[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000821541529 597810945 /nfs/dbraw/zinc/81/09/45/597810945.db2.gz MNBITNGLBHJIIK-HNNXBMFYSA-N -1 1 364.379 1.784 20 5 FDBDMM O=C(NCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000823201840 607346576 /nfs/dbraw/zinc/34/65/76/607346576.db2.gz MHNUJEORVHOXHU-UHFFFAOYSA-N -1 1 354.330 1.012 20 5 FDBDMM O=[N+]([O-])c1ccc(NCCc2nnc3ccccn32)cc1-c1nnn[n-]1 ZINC000826498548 607452381 /nfs/dbraw/zinc/45/23/81/607452381.db2.gz ACFVIKDCIQKGJY-UHFFFAOYSA-N -1 1 351.330 1.472 20 5 FDBDMM O=[N+]([O-])c1ccc(NCCc2nnc3ccccn32)cc1-c1nn[n-]n1 ZINC000826498548 607452383 /nfs/dbraw/zinc/45/23/83/607452383.db2.gz ACFVIKDCIQKGJY-UHFFFAOYSA-N -1 1 351.330 1.472 20 5 FDBDMM CC[C@](C)(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC000736860899 600559843 /nfs/dbraw/zinc/55/98/43/600559843.db2.gz CQDHNJHQMYTDBY-KRWDZBQOSA-N -1 1 364.402 1.086 20 5 FDBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832958399 601123798 /nfs/dbraw/zinc/12/37/98/601123798.db2.gz BARLVORSCGHNEU-GFCCVEGCSA-N -1 1 350.375 1.916 20 5 FDBDMM Cc1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826307318 607572170 /nfs/dbraw/zinc/57/21/70/607572170.db2.gz CUSIXAOTQPYLAX-UHFFFAOYSA-N -1 1 361.339 1.851 20 5 FDBDMM O=C([O-])NCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000832621843 603113913 /nfs/dbraw/zinc/11/39/13/603113913.db2.gz YUTRORNUCOILHR-UHFFFAOYSA-N -1 1 372.186 1.838 20 5 FDBDMM CCCN(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825308113 607608257 /nfs/dbraw/zinc/60/82/57/607608257.db2.gz VOTXEIHLAZLXCG-UHFFFAOYSA-N -1 1 352.376 1.338 20 5 FDBDMM CCC(C)(C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825045199 607618738 /nfs/dbraw/zinc/61/87/38/607618738.db2.gz YAVRIDIGTMTYKD-UHFFFAOYSA-N -1 1 354.392 1.584 20 5 FDBDMM CCCc1[nH]nc(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000826949421 604258665 /nfs/dbraw/zinc/25/86/65/604258665.db2.gz NDXHOOLRYULBJZ-NXEZZACHSA-N -1 1 353.379 1.779 20 5 FDBDMM C[C@@H](O)CN1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000827803825 604263320 /nfs/dbraw/zinc/26/33/20/604263320.db2.gz PKQYEIKYXDJJML-NXEZZACHSA-N -1 1 357.794 1.838 20 5 FDBDMM CC(C)(CO)N1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000826616741 604266937 /nfs/dbraw/zinc/26/69/37/604266937.db2.gz ZJZJYLCGCHGHQU-UHFFFAOYSA-N -1 1 357.794 1.839 20 5 FDBDMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccccc1[N+](=O)[O-] ZINC000826294741 607716076 /nfs/dbraw/zinc/71/60/76/607716076.db2.gz ALSYBCGRKJWERG-UHFFFAOYSA-N -1 1 363.337 1.842 20 5 FDBDMM CNc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000833700839 605206377 /nfs/dbraw/zinc/20/63/77/605206377.db2.gz QJQICUNUCRYANC-NSHDSACASA-N -1 1 350.375 1.258 20 5 FDBDMM CC(C)c1[nH]nc(C(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000824453638 605377244 /nfs/dbraw/zinc/37/72/44/605377244.db2.gz QYRHWFQIHWXWMK-VIFPVBQESA-N -1 1 353.379 1.950 20 5 FDBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000820556585 606532021 /nfs/dbraw/zinc/53/20/21/606532021.db2.gz UMZFBJGCMVHNOA-SSDOTTSWSA-N -1 1 360.359 1.617 20 5 FDBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000820556585 606532022 /nfs/dbraw/zinc/53/20/22/606532022.db2.gz UMZFBJGCMVHNOA-SSDOTTSWSA-N -1 1 360.359 1.617 20 5 FDBDMM COc1ccccc1OCCN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821904592 606699885 /nfs/dbraw/zinc/69/98/85/606699885.db2.gz XWNMWBMZCHXYAZ-UHFFFAOYSA-N -1 1 371.357 1.694 20 5 FDBDMM COc1ccccc1OCCN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821904592 606699887 /nfs/dbraw/zinc/69/98/87/606699887.db2.gz XWNMWBMZCHXYAZ-UHFFFAOYSA-N -1 1 371.357 1.694 20 5 FDBDMM Cn1c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2oc1=O ZINC000822596451 606707527 /nfs/dbraw/zinc/70/75/27/606707527.db2.gz JZHGHCXWTBUNPM-UHFFFAOYSA-N -1 1 354.286 1.358 20 5 FDBDMM Cn1c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2oc1=O ZINC000822596451 606707529 /nfs/dbraw/zinc/70/75/29/606707529.db2.gz JZHGHCXWTBUNPM-UHFFFAOYSA-N -1 1 354.286 1.358 20 5 FDBDMM COC(=O)c1ccc2c(c1)CN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000821670228 606708078 /nfs/dbraw/zinc/70/80/78/606708078.db2.gz SQOPRCNDOWODHH-UHFFFAOYSA-N -1 1 367.325 1.477 20 5 FDBDMM COC(=O)c1ccc2c(c1)CN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000821670228 606708079 /nfs/dbraw/zinc/70/80/79/606708079.db2.gz SQOPRCNDOWODHH-UHFFFAOYSA-N -1 1 367.325 1.477 20 5 FDBDMM CN(CC(=O)N(C)C1CCCCC1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821592839 606710030 /nfs/dbraw/zinc/71/00/30/606710030.db2.gz XZEWQQYIUKRCJC-UHFFFAOYSA-N -1 1 374.405 1.397 20 5 FDBDMM CN(CC(=O)N(C)C1CCCCC1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821592839 606710032 /nfs/dbraw/zinc/71/00/32/606710032.db2.gz XZEWQQYIUKRCJC-UHFFFAOYSA-N -1 1 374.405 1.397 20 5 FDBDMM CN(Cc1nc2ccccc2n1C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821618050 606712286 /nfs/dbraw/zinc/71/22/86/606712286.db2.gz OEFFSDFKXMSXLR-UHFFFAOYSA-N -1 1 365.357 1.693 20 5 FDBDMM CN(Cc1nc2ccccc2n1C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821618050 606712288 /nfs/dbraw/zinc/71/22/88/606712288.db2.gz OEFFSDFKXMSXLR-UHFFFAOYSA-N -1 1 365.357 1.693 20 5 FDBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000820776955 606714790 /nfs/dbraw/zinc/71/47/90/606714790.db2.gz OBWJIEDUAIYDIL-POYBYMJQSA-N -1 1 359.268 1.326 20 5 FDBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000820776955 606714791 /nfs/dbraw/zinc/71/47/91/606714791.db2.gz OBWJIEDUAIYDIL-POYBYMJQSA-N -1 1 359.268 1.326 20 5 FDBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccccc1[N+](=O)[O-] ZINC000820803997 606806682 /nfs/dbraw/zinc/80/66/82/606806682.db2.gz KVTYLHYHOALRNG-LLVKDONJSA-N -1 1 367.373 1.280 20 5 FDBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccccc1[N+](=O)[O-] ZINC000820803997 606806683 /nfs/dbraw/zinc/80/66/83/606806683.db2.gz KVTYLHYHOALRNG-LLVKDONJSA-N -1 1 367.373 1.280 20 5 FDBDMM COc1ccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(OC)c1 ZINC000821795388 607162593 /nfs/dbraw/zinc/16/25/93/607162593.db2.gz YOYAXSARHXMNGZ-UHFFFAOYSA-N -1 1 371.357 1.824 20 5 FDBDMM COc1ccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(OC)c1 ZINC000821795388 607162595 /nfs/dbraw/zinc/16/25/95/607162595.db2.gz YOYAXSARHXMNGZ-UHFFFAOYSA-N -1 1 371.357 1.824 20 5 FDBDMM COc1ccc(OC)c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821842840 607166147 /nfs/dbraw/zinc/16/61/47/607166147.db2.gz VWGJDHIUSDISHI-UHFFFAOYSA-N -1 1 357.330 1.799 20 5 FDBDMM COc1ccc(OC)c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821842840 607166149 /nfs/dbraw/zinc/16/61/49/607166149.db2.gz VWGJDHIUSDISHI-UHFFFAOYSA-N -1 1 357.330 1.799 20 5 FDBDMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824507864 608493486 /nfs/dbraw/zinc/49/34/86/608493486.db2.gz ZIGODXSBXNNTFA-MRVPVSSYSA-N -1 1 357.334 1.391 20 5 FDBDMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824507864 608493487 /nfs/dbraw/zinc/49/34/87/608493487.db2.gz ZIGODXSBXNNTFA-MRVPVSSYSA-N -1 1 357.334 1.391 20 5 FDBDMM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274989510 674600050 /nfs/dbraw/zinc/60/00/50/674600050.db2.gz MNDWUZKCJMUIRZ-NSHDSACASA-N -1 1 354.388 1.079 20 5 FDBDMM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cccc2cn[nH]c21 ZINC000112160530 671637462 /nfs/dbraw/zinc/63/74/62/671637462.db2.gz FFNQTYXJEMRAOB-UHFFFAOYSA-N -1 1 352.353 1.651 20 5 FDBDMM C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[S@@](C)=O ZINC000124231507 671735005 /nfs/dbraw/zinc/73/50/05/671735005.db2.gz JTLXBUFJIMGYLA-FHZGZLOMSA-N -1 1 354.837 1.684 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CO)Cc1ccccc1 ZINC000125905437 671753129 /nfs/dbraw/zinc/75/31/29/671753129.db2.gz XVVJTHJGEKTMJL-LBPRGKRZSA-N -1 1 354.359 1.616 20 5 FDBDMM CC(=O)NCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289569313 676153887 /nfs/dbraw/zinc/15/38/87/676153887.db2.gz UDLHSGAXCOYUJI-UHFFFAOYSA-N -1 1 370.214 1.706 20 5 FDBDMM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289640665 676162140 /nfs/dbraw/zinc/16/21/40/676162140.db2.gz ZKALQJKGZIDQBI-QMMMGPOBSA-N -1 1 362.770 1.951 20 5 FDBDMM CC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)OCCCO1 ZINC000289786504 676178208 /nfs/dbraw/zinc/17/82/08/676178208.db2.gz IJHCCQRKWCZBFU-UHFFFAOYSA-N -1 1 368.770 1.819 20 5 FDBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OCCO ZINC000289935168 676184404 /nfs/dbraw/zinc/18/44/04/676184404.db2.gz RMXQOVPMDQVBLG-UHFFFAOYSA-N -1 1 370.786 1.453 20 5 FDBDMM CNC(=O)C1CCC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 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ZINC000611106087 554605530 /nfs/dbraw/zinc/60/55/30/554605530.db2.gz YQAUDHWPAWDLCH-UHFFFAOYSA-N -1 1 370.387 1.046 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])n1 ZINC000611107717 554606264 /nfs/dbraw/zinc/60/62/64/554606264.db2.gz GVUQLAKDUIKJBU-RYUDHWBXSA-N -1 1 360.436 1.421 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2nn(C)c3ccccc23)c([N+](=O)[O-])n1 ZINC000612687595 554825258 /nfs/dbraw/zinc/82/52/58/554825258.db2.gz SIKMDZDSKWCGCR-UHFFFAOYSA-N -1 1 364.387 1.176 20 5 FDBDMM C[C@@H]1CN=C(N2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)S1 ZINC000825000401 607451921 /nfs/dbraw/zinc/45/19/21/607451921.db2.gz PSQXGRVLCBYSFI-SNVBAGLBSA-N -1 1 374.430 1.388 20 5 FDBDMM C[C@@H]1CN=C(N2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)S1 ZINC000825000401 607451923 /nfs/dbraw/zinc/45/19/23/607451923.db2.gz PSQXGRVLCBYSFI-SNVBAGLBSA-N -1 1 374.430 1.388 20 5 FDBDMM COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C(=O)[O-] ZINC000327884185 600866865 /nfs/dbraw/zinc/86/68/65/600866865.db2.gz UFXYFIJDKYQMPG-UHFFFAOYSA-N -1 1 368.323 1.808 20 5 FDBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000827362121 601101083 /nfs/dbraw/zinc/10/10/83/601101083.db2.gz IFMPOXRQGJHWOW-CYBMUJFWSA-N -1 1 365.386 1.371 20 5 FDBDMM CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830800738 601903304 /nfs/dbraw/zinc/90/33/04/601903304.db2.gz WSEFTPRQSUQYLE-CYBMUJFWSA-N -1 1 358.276 1.966 20 5 FDBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C ZINC000824649066 607566497 /nfs/dbraw/zinc/56/64/97/607566497.db2.gz KZZAWBCNNIHRCX-WDEREUQCSA-N -1 1 359.390 1.976 20 5 FDBDMM O=[N+]([O-])c1cccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826499399 607572912 /nfs/dbraw/zinc/57/29/12/607572912.db2.gz HJZVROMSQACKKV-UHFFFAOYSA-N -1 1 365.302 1.682 20 5 FDBDMM O=[N+]([O-])c1cccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826499399 607572914 /nfs/dbraw/zinc/57/29/14/607572914.db2.gz HJZVROMSQACKKV-UHFFFAOYSA-N -1 1 365.302 1.682 20 5 FDBDMM CC(C)C[C@H](CNC(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000738812262 602566878 /nfs/dbraw/zinc/56/68/78/602566878.db2.gz QJLQYWJGNKDOKD-SECBINFHSA-N -1 1 363.367 1.695 20 5 FDBDMM C[C@](CNC(=O)[O-])(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000738924045 602708160 /nfs/dbraw/zinc/70/81/60/602708160.db2.gz HPFDNPZIBRDSQG-CYBMUJFWSA-N -1 1 361.351 1.449 20 5 FDBDMM C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C(=O)[O-] ZINC000739185263 602833165 /nfs/dbraw/zinc/83/31/65/602833165.db2.gz YOTVQWWKANWCGD-RYUDHWBXSA-N -1 1 350.375 1.996 20 5 FDBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1ccccc1 ZINC000824641198 607609803 /nfs/dbraw/zinc/60/98/03/607609803.db2.gz SYYLHIADTKEGEN-SNVBAGLBSA-N -1 1 374.382 1.814 20 5 FDBDMM Cc1nn(CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000830871557 604020639 /nfs/dbraw/zinc/02/06/39/604020639.db2.gz UVUAYPZRNGIRQG-ZYHUDNBSSA-N -1 1 362.390 1.974 20 5 FDBDMM C[C@@H](CN1CCN(C)CC1)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000827460871 604265522 /nfs/dbraw/zinc/26/55/22/604265522.db2.gz DXQJGABGLAQSTN-JTQLQIEISA-N -1 1 356.810 1.994 20 5 FDBDMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000827017406 604429073 /nfs/dbraw/zinc/42/90/73/604429073.db2.gz YBHZURVUOKQQSL-GFCCVEGCSA-N -1 1 350.331 1.421 20 5 FDBDMM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1[N+](=O)[O-] ZINC000833733048 605167911 /nfs/dbraw/zinc/16/79/11/605167911.db2.gz ABPZAFWDUWVIPN-UHFFFAOYSA-N -1 1 353.312 1.497 20 5 FDBDMM O=C([O-])NCCCOC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000834239028 605786054 /nfs/dbraw/zinc/78/60/54/605786054.db2.gz WGLZQUKVGGMLNU-UHFFFAOYSA-N -1 1 367.358 1.579 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1cccc(Cl)c1 ZINC000823620029 606698411 /nfs/dbraw/zinc/69/84/11/606698411.db2.gz GYQILOJGOIPYBP-NSHDSACASA-N -1 1 361.749 1.969 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1cccc(Cl)c1 ZINC000823620029 606698413 /nfs/dbraw/zinc/69/84/13/606698413.db2.gz GYQILOJGOIPYBP-NSHDSACASA-N -1 1 361.749 1.969 20 5 FDBDMM CC(=O)N(C)c1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819789253 606702618 /nfs/dbraw/zinc/70/26/18/606702618.db2.gz LDUYBNFXEVLRKE-UHFFFAOYSA-N -1 1 354.330 1.896 20 5 FDBDMM CC(=O)N(C)c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819789253 606702619 /nfs/dbraw/zinc/70/26/19/606702619.db2.gz LDUYBNFXEVLRKE-UHFFFAOYSA-N -1 1 354.330 1.896 20 5 FDBDMM CNC(=O)c1cccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821636510 606712412 /nfs/dbraw/zinc/71/24/12/606712412.db2.gz SSUOSANLCZJHCU-UHFFFAOYSA-N -1 1 368.357 1.184 20 5 FDBDMM CNC(=O)c1cccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821636510 606712414 /nfs/dbraw/zinc/71/24/14/606712414.db2.gz SSUOSANLCZJHCU-UHFFFAOYSA-N -1 1 368.357 1.184 20 5 FDBDMM CC(C)N1C(=O)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1(C)C ZINC000820126907 606713023 /nfs/dbraw/zinc/71/30/23/606713023.db2.gz DYMVBHKGXXNTLE-UHFFFAOYSA-N -1 1 360.378 1.006 20 5 FDBDMM CC(C)N1C(=O)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1(C)C ZINC000820126907 606713025 /nfs/dbraw/zinc/71/30/25/606713025.db2.gz DYMVBHKGXXNTLE-UHFFFAOYSA-N -1 1 360.378 1.006 20 5 FDBDMM C[S@](=O)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821942049 606717247 /nfs/dbraw/zinc/71/72/47/606717247.db2.gz KRQCZWKAHJRAKY-VWLOTQADSA-N -1 1 359.371 1.519 20 5 FDBDMM C[S@](=O)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821942049 606717249 /nfs/dbraw/zinc/71/72/49/606717249.db2.gz KRQCZWKAHJRAKY-VWLOTQADSA-N -1 1 359.371 1.519 20 5 FDBDMM CN(Cc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821614368 606731037 /nfs/dbraw/zinc/73/10/37/606731037.db2.gz CBTIDQRZCFCFAF-UHFFFAOYSA-N -1 1 374.382 1.596 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nnnn1-c1ccccc1 ZINC000823629816 607162256 /nfs/dbraw/zinc/16/22/56/607162256.db2.gz IJFVMPQDPQDRPK-UHFFFAOYSA-N -1 1 368.342 1.297 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nnnn1-c1ccccc1 ZINC000823629816 607162257 /nfs/dbraw/zinc/16/22/57/607162257.db2.gz IJFVMPQDPQDRPK-UHFFFAOYSA-N -1 1 368.342 1.297 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2=CCCC2)c1-c1nn[n-]n1 ZINC000826499985 607812333 /nfs/dbraw/zinc/81/23/33/607812333.db2.gz HHOVSECLYIHEHY-UHFFFAOYSA-N -1 1 364.387 1.554 20 5 FDBDMM O=C1CCCCCN1CCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826480326 607839414 /nfs/dbraw/zinc/83/94/14/607839414.db2.gz XTVQXEGMPKEADF-UHFFFAOYSA-N -1 1 359.390 1.980 20 5 FDBDMM O=C1CCCCCN1CCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826480326 607839415 /nfs/dbraw/zinc/83/94/15/607839415.db2.gz XTVQXEGMPKEADF-UHFFFAOYSA-N -1 1 359.390 1.980 20 5 FDBDMM Cn1nccc1C1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000826366820 607841506 /nfs/dbraw/zinc/84/15/06/607841506.db2.gz ZFWYQXOJNLJNKP-UHFFFAOYSA-N -1 1 354.374 1.892 20 5 FDBDMM Cn1nccc1C1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000826366820 607841507 /nfs/dbraw/zinc/84/15/07/607841507.db2.gz ZFWYQXOJNLJNKP-UHFFFAOYSA-N -1 1 354.374 1.892 20 5 FDBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H](Cn3cncn3)C2)cc1-c1nnn[n-]1 ZINC000826498926 607842395 /nfs/dbraw/zinc/84/23/95/607842395.db2.gz ORCRGEJDBDRBDP-LLVKDONJSA-N -1 1 355.362 1.283 20 5 FDBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H](Cn3cncn3)C2)cc1-c1nn[n-]n1 ZINC000826498926 607842396 /nfs/dbraw/zinc/84/23/96/607842396.db2.gz ORCRGEJDBDRBDP-LLVKDONJSA-N -1 1 355.362 1.283 20 5 FDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000826357064 607961157 /nfs/dbraw/zinc/96/11/57/607961157.db2.gz PSSNIKSUISVPPV-UHFFFAOYSA-N -1 1 369.345 1.099 20 5 FDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000826357064 607961158 /nfs/dbraw/zinc/96/11/58/607961158.db2.gz PSSNIKSUISVPPV-UHFFFAOYSA-N -1 1 369.345 1.099 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000826497432 608016505 /nfs/dbraw/zinc/01/65/05/608016505.db2.gz HEKIPIYDPVZKJQ-CYBMUJFWSA-N -1 1 369.341 1.453 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000826497432 608016506 /nfs/dbraw/zinc/01/65/06/608016506.db2.gz HEKIPIYDPVZKJQ-CYBMUJFWSA-N -1 1 369.341 1.453 20 5 FDBDMM O=C(OCCOc1ccccc1-c1nn[nH]n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000826464416 609622331 /nfs/dbraw/zinc/62/23/31/609622331.db2.gz VTDCGNWEAGHNTE-UHFFFAOYSA-N -1 1 371.309 1.716 20 5 FDBDMM C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289792110 676178967 /nfs/dbraw/zinc/17/89/67/676178967.db2.gz IUEFYJAPQVHAGO-JMCQJSRRSA-N -1 1 368.770 1.206 20 5 FDBDMM CCCNC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000279476976 675300414 /nfs/dbraw/zinc/30/04/14/675300414.db2.gz NQWPXMFYFXVILO-UHFFFAOYSA-N -1 1 370.214 1.706 20 5 FDBDMM CSC[C@H](CCO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443246772 682260367 /nfs/dbraw/zinc/26/03/67/682260367.db2.gz JBFYBDPIYWBRSD-QMMMGPOBSA-N -1 1 354.837 1.641 20 5 FDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)[C@@H]1CCCO1 ZINC000447930920 682580401 /nfs/dbraw/zinc/58/04/01/682580401.db2.gz NLMFPOVTZHJRKK-ONGXEEELSA-N -1 1 350.780 1.066 20 5 FDBDMM COc1ccc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1[N+](=O)[O-] ZINC000461108983 684563204 /nfs/dbraw/zinc/56/32/04/684563204.db2.gz MZHBXCQKZGYMSV-UHFFFAOYSA-N -1 1 363.355 1.059 20 5 FDBDMM CO[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000469067022 684946808 /nfs/dbraw/zinc/94/68/08/684946808.db2.gz SWORMJDJQCZTNP-JTQLQIEISA-N -1 1 360.285 1.980 20 5 FDBDMM COc1cc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000469355655 684965274 /nfs/dbraw/zinc/96/52/74/684965274.db2.gz XMZSWIMSTZEILL-UHFFFAOYSA-N -1 1 352.372 1.865 20 5 FDBDMM Cn1cnc([N+](=O)[O-])c1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000470819321 685076390 /nfs/dbraw/zinc/07/63/90/685076390.db2.gz GFLRCAHUAUWDRL-UHFFFAOYSA-N -1 1 351.388 1.998 20 5 FDBDMM C[C@@H](CN(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000478602782 685913506 /nfs/dbraw/zinc/91/35/06/685913506.db2.gz OCKRLYZEQMAITI-ZETCQYMHSA-N -1 1 356.289 1.585 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)c([N+](=O)[O-])n1 ZINC000479133024 685998482 /nfs/dbraw/zinc/99/84/82/685998482.db2.gz BEBFUQQVIWJOQT-UHFFFAOYSA-N -1 1 350.360 1.797 20 5 FDBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000500567920 688105962 /nfs/dbraw/zinc/10/59/62/688105962.db2.gz IWGAEKPVKWTJFB-ZETCQYMHSA-N -1 1 371.400 1.236 20 5 FDBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000500567920 688105966 /nfs/dbraw/zinc/10/59/66/688105966.db2.gz IWGAEKPVKWTJFB-ZETCQYMHSA-N -1 1 371.400 1.236 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCc3ccccc3OC2)c([N+](=O)[O-])n1 ZINC000510387471 689372574 /nfs/dbraw/zinc/37/25/74/689372574.db2.gz AKDYNAOUXGXIAG-LBPRGKRZSA-N -1 1 366.399 1.483 20 5 FDBDMM CC(C)C[C@@H](N)c1noc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000516650394 689977026 /nfs/dbraw/zinc/97/70/26/689977026.db2.gz 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CCn1cc(S(=O)(=O)[N-]Cc2cc(C)cc(Cl)n2)c([N+](=O)[O-])n1 ZINC000800152545 982768523 /nfs/dbraw/zinc/76/85/23/982768523.db2.gz YKQXISPMLCHBIU-UHFFFAOYSA-N -1 1 359.795 1.647 20 5 FDBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(C[C@@H]3CCOC3)CC2)n1 ZINC001118284988 982950665 /nfs/dbraw/zinc/95/06/65/982950665.db2.gz QAEJJKRFVKRQTI-LBPRGKRZSA-N -1 1 350.375 1.155 20 5 FDBDMM CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000777206832 983790090 /nfs/dbraw/zinc/79/00/90/983790090.db2.gz KJEOODARIIJEJT-MNOVXSKESA-N -1 1 366.374 1.682 20 5 FDBDMM CCO[C@@H]1C[C@H](NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)[C@H]1OC ZINC001596839507 985518848 /nfs/dbraw/zinc/51/88/48/985518848.db2.gz SQAXGMPOAFLXJV-SGIREYDYSA-N -1 1 354.359 1.340 20 5 FDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001594515700 985883360 /nfs/dbraw/zinc/88/33/60/985883360.db2.gz QBTWYVAORXMRHR-LBPRGKRZSA-N -1 1 367.427 1.694 20 5 FDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001594529532 986111999 /nfs/dbraw/zinc/11/19/99/986111999.db2.gz ZYXNKMPEJMLFRG-LBPRGKRZSA-N -1 1 374.397 1.432 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](Cc2ccccc2)C1 ZINC000826497748 986641261 /nfs/dbraw/zinc/64/12/61/986641261.db2.gz SRZNQPVTWLNKKA-ZDUSSCGKSA-N -1 1 367.369 1.618 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](Cc2ccccc2)C1 ZINC000826497748 986641273 /nfs/dbraw/zinc/64/12/73/986641273.db2.gz SRZNQPVTWLNKKA-ZDUSSCGKSA-N -1 1 367.369 1.618 20 5 FDBDMM COC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cn2)CC1 ZINC000294119856 988310386 /nfs/dbraw/zinc/31/03/86/988310386.db2.gz PPCSXPNLLNVTQP-UHFFFAOYSA-N -1 1 374.357 1.459 20 5 FDBDMM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC001599812391 988359953 /nfs/dbraw/zinc/35/99/53/988359953.db2.gz VNJOSMIFQFPRGF-JTQLQIEISA-N -1 1 350.356 1.986 20 5 FDBDMM Cn1cc([C@H]2[C@@H](CNC(=O)c3cccc([N+](=O)[O-])c3[O-])CCCN2C)cn1 ZINC000363917082 989460688 /nfs/dbraw/zinc/46/06/88/989460688.db2.gz GJDIIRYVOWNGGT-MLGOLLRUSA-N -1 1 373.413 1.847 20 5 FDBDMM CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373102493 991922019 /nfs/dbraw/zinc/92/20/19/991922019.db2.gz AGQSLGCOHPGBLH-CHWSQXEVSA-N -1 1 362.386 1.701 20 5 FDBDMM COC(=O)[C@]1(C)CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001598718982 995453116 /nfs/dbraw/zinc/45/31/16/995453116.db2.gz ODIQZOOBFNOIAU-MRXNPFEDSA-N -1 1 352.343 1.443 20 5 FDBDMM C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1CCC(=O)[O-] ZINC001594467311 999694632 /nfs/dbraw/zinc/69/46/32/999694632.db2.gz CUWVSERIKDIXFZ-GFCCVEGCSA-N -1 1 374.397 1.626 20 5 FDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CC(CO)C1 ZINC000192180064 178099660 /nfs/dbraw/zinc/09/96/60/178099660.db2.gz WUFKZLNHOKSRBK-UHFFFAOYSA-N -1 1 363.395 1.824 20 5 FDBDMM Cc1nnc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2)[nH]1 ZINC000193535378 178167061 /nfs/dbraw/zinc/16/70/61/178167061.db2.gz VMURPLPUBSWVDH-ZDUSSCGKSA-N -1 1 354.326 1.641 20 5 FDBDMM CC[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000508376585 538931189 /nfs/dbraw/zinc/93/11/89/538931189.db2.gz PMRUGOQOPOQFLN-ZDUSSCGKSA-N -1 1 358.354 1.693 20 5 FDBDMM CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000265143166 179297484 /nfs/dbraw/zinc/29/74/84/179297484.db2.gz JPDVUKGWDDVYTL-WDEREUQCSA-N -1 1 373.406 1.659 20 5 FDBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1(c2nn[n-]n2)CCCC1 ZINC000522928025 539588147 /nfs/dbraw/zinc/58/81/47/539588147.db2.gz PQKSSIJASDPRFS-UHFFFAOYSA-N -1 1 350.766 1.890 20 5 FDBDMM COc1ccccc1N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274880484 181184706 /nfs/dbraw/zinc/18/47/06/181184706.db2.gz HZWPUNXWMLNAID-UHFFFAOYSA-N -1 1 358.354 1.666 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(OC)c(F)c2)c([N+](=O)[O-])n1 ZINC000532535984 540170271 /nfs/dbraw/zinc/17/02/71/540170271.db2.gz NPTGTFINUZMPPI-SECBINFHSA-N -1 1 372.378 1.998 20 5 FDBDMM CC(C)(C)OCc1cc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)no1 ZINC000275001312 181215923 /nfs/dbraw/zinc/21/59/23/181215923.db2.gz OSXQVLFHUIBOEF-UHFFFAOYSA-N -1 1 350.331 1.929 20 5 FDBDMM CCc1nsc(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000275130185 181246989 /nfs/dbraw/zinc/24/69/89/181246989.db2.gz NOVOMICNSSQUFC-UHFFFAOYSA-N -1 1 364.387 1.072 20 5 FDBDMM O=C(CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000275160917 181252220 /nfs/dbraw/zinc/25/22/20/181252220.db2.gz UOGYICGIKAEVOF-UHFFFAOYSA-N -1 1 370.365 1.748 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c([N+](=O)[O-])n1 ZINC000533635855 540273904 /nfs/dbraw/zinc/27/39/04/540273904.db2.gz SKOMTTHPANOWTM-UHFFFAOYSA-N -1 1 363.359 1.397 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCc2nc(C)c(C)s2)c([N+](=O)[O-])n1 ZINC000533634936 540274200 /nfs/dbraw/zinc/27/42/00/540274200.db2.gz ZEBWQVLZTRVPTC-UHFFFAOYSA-N -1 1 359.433 1.406 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2[C@@H](C)[C@@H](OC)C2(CC)CC)c([N+](=O)[O-])n1 ZINC000536130834 540556667 /nfs/dbraw/zinc/55/66/67/540556667.db2.gz QTTPZHIHUMPXFI-RAIGVLPGSA-N -1 1 374.463 1.929 20 5 FDBDMM O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000537123518 540688537 /nfs/dbraw/zinc/68/85/37/540688537.db2.gz VPVFVUJZXSRZDL-NSHDSACASA-N -1 1 368.357 1.313 20 5 FDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccnc1-n1cccn1 ZINC000538897439 540906820 /nfs/dbraw/zinc/90/68/20/540906820.db2.gz ICXBFLZDQCCPQO-UHFFFAOYSA-N -1 1 360.355 1.049 20 5 FDBDMM C[C@H](CN(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1nn[n-]n1 ZINC000543701274 541641150 /nfs/dbraw/zinc/64/11/50/541641150.db2.gz IGVNWXOHBMPFEB-MRVPVSSYSA-N -1 1 357.330 1.237 20 5 FDBDMM CC(C)(C)[C@H](O)C[C@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000284113666 182368718 /nfs/dbraw/zinc/36/87/18/182368718.db2.gz BXRLVONUDNONKS-BXKDBHETSA-N -1 1 364.395 1.170 20 5 FDBDMM COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000286362250 183048282 /nfs/dbraw/zinc/04/82/82/183048282.db2.gz LORAYABWSPPIHV-GFCCVEGCSA-N -1 1 363.248 1.263 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)no2)s1 ZINC000546598671 542178667 /nfs/dbraw/zinc/17/86/67/542178667.db2.gz LLFJKEJSDWJWKE-UHFFFAOYSA-N -1 1 358.279 1.537 20 5 FDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)C2)cc1Cl ZINC000295651846 184091666 /nfs/dbraw/zinc/09/16/66/184091666.db2.gz FKHZSDNEKQCQRG-SFYZADRCSA-N -1 1 352.771 1.827 20 5 FDBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1C ZINC000296357939 184157724 /nfs/dbraw/zinc/15/77/24/184157724.db2.gz WNGFWHRWLTWTSQ-CQSZACIVSA-N -1 1 371.459 1.337 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(C)c2)c([N+](=O)[O-])n1 ZINC000549915742 542965719 /nfs/dbraw/zinc/96/57/19/542965719.db2.gz IRQOHHNVSSMPMG-GFCCVEGCSA-N -1 1 368.415 1.865 20 5 FDBDMM CC[C@@]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])(C(N)=O)C(C)C ZINC000181532151 174231156 /nfs/dbraw/zinc/23/11/56/174231156.db2.gz GXFUFPAVIDMURN-ZDUSSCGKSA-N -1 1 363.823 1.817 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@]2(CO)CCCO2)s1 ZINC000555456530 543958720 /nfs/dbraw/zinc/95/87/20/543958720.db2.gz ZPIOTOUKNYEBSL-QWHCGFSZSA-N -1 1 362.429 1.255 20 5 FDBDMM CC(C)C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289296728 258812788 /nfs/dbraw/zinc/81/27/88/258812788.db2.gz HSVNQUPEODXAOO-UHFFFAOYSA-N -1 1 367.786 1.438 20 5 FDBDMM NC(=O)C1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)CC1 ZINC000299719638 259019472 /nfs/dbraw/zinc/01/94/72/259019472.db2.gz YXDOXVWUIUAHLT-UHFFFAOYSA-N -1 1 357.370 1.877 20 5 FDBDMM Cc1cc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)ccc1[N+](=O)[O-] ZINC000330575878 259151549 /nfs/dbraw/zinc/15/15/49/259151549.db2.gz GEQMETQPJJVHRI-LLVKDONJSA-N -1 1 354.306 1.903 20 5 FDBDMM O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000375448441 261342187 /nfs/dbraw/zinc/34/21/87/261342187.db2.gz PJQXPCQFFUDSBE-CYBMUJFWSA-N -1 1 374.328 1.365 20 5 FDBDMM O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000378370753 262013952 /nfs/dbraw/zinc/01/39/52/262013952.db2.gz MEWQGOVZJYEUNZ-NSHDSACASA-N -1 1 358.358 1.132 20 5 FDBDMM O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000378370751 262014015 /nfs/dbraw/zinc/01/40/15/262014015.db2.gz MEWQGOVZJYEUNZ-LLVKDONJSA-N -1 1 358.358 1.132 20 5 FDBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](O)C(F)(F)F ZINC000270781059 674265225 /nfs/dbraw/zinc/26/52/25/674265225.db2.gz CSXHFHDTDOIZKN-WCBMZHEXSA-N -1 1 360.285 1.714 20 5 FDBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(C(N)=O)c1 ZINC000032086997 519481948 /nfs/dbraw/zinc/48/19/48/519481948.db2.gz MQZZWCJAIDTEKB-UHFFFAOYSA-N -1 1 353.331 1.942 20 5 FDBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000032096925 519482688 /nfs/dbraw/zinc/48/26/88/519482688.db2.gz JSRQGXMMCONJKY-UHFFFAOYSA-N -1 1 365.367 1.432 20 5 FDBDMM CC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038105291 519632675 /nfs/dbraw/zinc/63/26/75/519632675.db2.gz DDQHNEJAANTMPG-MRVPVSSYSA-N -1 1 353.194 1.407 20 5 FDBDMM CCn1c(CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n[n-]c1=S ZINC000066636609 523144953 /nfs/dbraw/zinc/14/49/53/523144953.db2.gz ZVCBUWIJPDTWOW-UHFFFAOYSA-N -1 1 353.408 1.389 20 5 FDBDMM O=C(COc1ccccc1[N+](=O)[O-])NCCc1n[n-]c(=S)n1C1CC1 ZINC000067078854 523316606 /nfs/dbraw/zinc/31/66/06/523316606.db2.gz JCISLZSLZMAGLK-UHFFFAOYSA-N -1 1 363.399 1.921 20 5 FDBDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)co1 ZINC000158255817 524431556 /nfs/dbraw/zinc/43/15/56/524431556.db2.gz HGUJWFPSKVSRPY-UHFFFAOYSA-N -1 1 353.356 1.965 20 5 FDBDMM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000114743238 524870254 /nfs/dbraw/zinc/87/02/54/524870254.db2.gz LSEXVGTVVUINGC-SNVBAGLBSA-N -1 1 361.807 1.536 20 5 FDBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000127747206 525457601 /nfs/dbraw/zinc/45/76/01/525457601.db2.gz KDJTYJMEOVLWHP-UHFFFAOYSA-N -1 1 353.338 1.673 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN(CC(F)(F)F)C2)s1 ZINC000170786698 525713560 /nfs/dbraw/zinc/71/35/60/525713560.db2.gz ODSGOPJQELPTPY-MRVPVSSYSA-N -1 1 373.378 1.819 20 5 FDBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000171042727 525815121 /nfs/dbraw/zinc/81/51/21/525815121.db2.gz DUQYTWJHZGJIMZ-GHMZBOCLSA-N -1 1 373.406 1.802 20 5 FDBDMM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000120488871 526082189 /nfs/dbraw/zinc/08/21/89/526082189.db2.gz NZCSZQOAXHAFBE-JGVFFNPUSA-N -1 1 367.221 1.653 20 5 FDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nc[nH]n1 ZINC000183197095 535940490 /nfs/dbraw/zinc/94/04/90/535940490.db2.gz FEGHMPOLMLGFIP-ZCFIWIBFSA-N -1 1 365.293 1.771 20 5 FDBDMM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nn[n-]n1 ZINC000183409828 535976452 /nfs/dbraw/zinc/97/64/52/535976452.db2.gz DLKDIZATZIKGJO-GFCCVEGCSA-N -1 1 373.417 1.974 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nncn2-c2ccccc2)s1 ZINC000194401978 537277206 /nfs/dbraw/zinc/27/72/06/537277206.db2.gz BJGCJFDESHNUFP-UHFFFAOYSA-N -1 1 365.396 1.716 20 5 FDBDMM COc1cccc([C@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCO2)c1 ZINC000278215580 537283562 /nfs/dbraw/zinc/28/35/62/537283562.db2.gz RNVUKDRYNCNBQN-OAHLLOKOSA-N -1 1 359.338 1.918 20 5 FDBDMM C[C@@H](CN(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000273591726 537474192 /nfs/dbraw/zinc/47/41/92/537474192.db2.gz SYTSFDZPOHXDLQ-JTQLQIEISA-N -1 1 356.346 1.169 20 5 FDBDMM CC(C)(O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000285235708 537666605 /nfs/dbraw/zinc/66/66/05/537666605.db2.gz QVPKMEVUFLFHFF-UHFFFAOYSA-N -1 1 371.184 1.546 20 5 FDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000412664637 538006016 /nfs/dbraw/zinc/00/60/16/538006016.db2.gz YCLUZJIMQMDAIX-SFHVURJKSA-N -1 1 369.333 1.946 20 5 FDBDMM O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)CN1 ZINC000442251769 538358078 /nfs/dbraw/zinc/35/80/78/538358078.db2.gz NUKBVLQHKBDABZ-LBPRGKRZSA-N -1 1 361.379 1.999 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)c([N+](=O)[O-])n1 ZINC000466530456 538552603 /nfs/dbraw/zinc/55/26/03/538552603.db2.gz NOQZZSTXPPQJKE-JTQLQIEISA-N -1 1 356.335 1.362 20 5 FDBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H](O)C(F)(F)F ZINC000467079647 538606529 /nfs/dbraw/zinc/60/65/29/538606529.db2.gz PHHINABRGMAYGJ-MUWHJKNJSA-N -1 1 362.351 1.945 20 5 FDBDMM O=c1[nH]c2cccc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2o1 ZINC000562231547 546063021 /nfs/dbraw/zinc/06/30/21/546063021.db2.gz UFFINPPPKSHRHD-UHFFFAOYSA-N -1 1 351.296 1.948 20 5 FDBDMM COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC000565605293 547416354 /nfs/dbraw/zinc/41/63/54/547416354.db2.gz IBPFETYOLPBPAT-UHFFFAOYSA-N -1 1 368.327 1.335 20 5 FDBDMM O=C([O-])c1cnc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000572408600 549908075 /nfs/dbraw/zinc/90/80/75/549908075.db2.gz DNIXPKVEHYSUGL-OAHLLOKOSA-N -1 1 372.381 1.867 20 5 FDBDMM COc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c([N+](=O)[O-])cc1F ZINC000574957421 550399176 /nfs/dbraw/zinc/39/91/76/550399176.db2.gz LJWBCHIDWZWWOY-MRVPVSSYSA-N -1 1 350.310 1.275 20 5 FDBDMM COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000582553032 551240606 /nfs/dbraw/zinc/24/06/06/551240606.db2.gz YYJHSTGWRDYROF-FZMZJTMJSA-N -1 1 373.365 1.846 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccc3c[nH]nc3c2)c([N+](=O)[O-])n1 ZINC000585739778 551591006 /nfs/dbraw/zinc/59/10/06/551591006.db2.gz HGELRMAKQQJFQR-UHFFFAOYSA-N -1 1 364.387 1.209 20 5 FDBDMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000589228099 551718800 /nfs/dbraw/zinc/71/88/00/551718800.db2.gz FLHZUUOHHSWSMY-CYBMUJFWSA-N -1 1 370.412 1.910 20 5 FDBDMM Cn1cc([C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C2(CO)CCC2)cn1 ZINC000590388346 551778562 /nfs/dbraw/zinc/77/85/62/551778562.db2.gz MWARICFWBIQGNV-ZDUSSCGKSA-N -1 1 361.358 1.063 20 5 FDBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000590565827 551793006 /nfs/dbraw/zinc/79/30/06/551793006.db2.gz QPFNVOBKYXJSTL-UHFFFAOYSA-N -1 1 370.325 1.439 20 5 FDBDMM O=C([O-])[C@H](Cc1ccncc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000590603308 551797894 /nfs/dbraw/zinc/79/78/94/551797894.db2.gz WCCYXGPYKXNKPI-NSHDSACASA-N -1 1 369.330 1.103 20 5 FDBDMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C2CC2)no1 ZINC000593601074 552148784 /nfs/dbraw/zinc/14/87/84/552148784.db2.gz PMCJCPCOOUEOTB-ZDUSSCGKSA-N -1 1 353.360 1.285 20 5 FDBDMM Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000594477787 552320768 /nfs/dbraw/zinc/32/07/68/552320768.db2.gz APCYQVIKJIRKCR-QMMMGPOBSA-N -1 1 371.806 1.213 20 5 FDBDMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594866709 552415210 /nfs/dbraw/zinc/41/52/10/552415210.db2.gz PLYQDQDRHUBEMF-LBPRGKRZSA-N -1 1 352.315 1.304 20 5 FDBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@]1(O)CCCOC1 ZINC000595367107 552538519 /nfs/dbraw/zinc/53/85/19/552538519.db2.gz NANNGQNNIVOQET-ZDUSSCGKSA-N -1 1 364.445 1.502 20 5 FDBDMM O=C([O-])[C@]12COC[C@H]1CN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000595885640 552628531 /nfs/dbraw/zinc/62/85/31/552628531.db2.gz QVLSKDHVRJNITE-BDJLRTHQSA-N -1 1 360.326 1.178 20 5 FDBDMM CCc1cc(=O)n2[n-]c(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)nc2n1 ZINC000598893012 552940038 /nfs/dbraw/zinc/94/00/38/552940038.db2.gz ONVNJAIZZPHMST-UHFFFAOYSA-N -1 1 370.369 1.805 20 5 FDBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CCC2 ZINC000599311457 553023046 /nfs/dbraw/zinc/02/30/46/553023046.db2.gz IRUSWDZHSXUNIK-CYBMUJFWSA-N -1 1 350.400 1.993 20 5 FDBDMM Cc1cc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CCOCC2)on1 ZINC000599515010 553078517 /nfs/dbraw/zinc/07/85/17/553078517.db2.gz NNBHCUXQDGBBKA-UHFFFAOYSA-N -1 1 368.371 1.270 20 5 FDBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CCC(=O)[O-])c2ccccc2)n1 ZINC000600652510 553291833 /nfs/dbraw/zinc/29/18/33/553291833.db2.gz VUJYXSXNCRNOGL-LLVKDONJSA-N -1 1 368.371 1.213 20 5 FDBDMM CCC[C@@H](CCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600653683 553291842 /nfs/dbraw/zinc/29/18/42/553291842.db2.gz MIXFKISRBSMIPT-JTQLQIEISA-N -1 1 362.408 1.278 20 5 FDBDMM CSc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000600869977 553322831 /nfs/dbraw/zinc/32/28/31/553322831.db2.gz OXZQPCWCFZQQIG-NSHDSACASA-N -1 1 367.427 1.938 20 5 FDBDMM CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610139924 554466856 /nfs/dbraw/zinc/46/68/56/554466856.db2.gz VUBUIZICVSAEAP-UHFFFAOYSA-N -1 1 365.367 1.371 20 5 FDBDMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610266387 554484943 /nfs/dbraw/zinc/48/49/43/554484943.db2.gz UUMHYICXWINFIQ-LBPRGKRZSA-N -1 1 365.367 1.225 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000611108723 554606151 /nfs/dbraw/zinc/60/61/51/554606151.db2.gz IOLKCBYIYUKIMD-JTQLQIEISA-N -1 1 372.378 1.696 20 5 FDBDMM CCOC(=O)c1cc(C(=O)[N-]c2nnc(OC)s2)cc([N+](=O)[O-])c1 ZINC000616018702 555263963 /nfs/dbraw/zinc/26/39/63/555263963.db2.gz RBWRSQSGGYJEPF-UHFFFAOYSA-N -1 1 352.328 1.884 20 5 FDBDMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000737301420 598929658 /nfs/dbraw/zinc/92/96/58/598929658.db2.gz MPBGLORFWJPUNZ-UHFFFAOYSA-N -1 1 360.355 1.884 20 5 FDBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820390550 599554640 /nfs/dbraw/zinc/55/46/40/599554640.db2.gz IISLWHJNRSCCRN-MRVPVSSYSA-N -1 1 355.314 1.367 20 5 FDBDMM O=C(NCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccnc1 ZINC000826437786 607452563 /nfs/dbraw/zinc/45/25/63/607452563.db2.gz BDCQTCQSLHCAJZ-UHFFFAOYSA-N -1 1 354.330 1.012 20 5 FDBDMM O=C(NCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccnc1 ZINC000826437786 607452565 /nfs/dbraw/zinc/45/25/65/607452565.db2.gz BDCQTCQSLHCAJZ-UHFFFAOYSA-N -1 1 354.330 1.012 20 5 FDBDMM O=C([O-])c1ccc(S(=O)(=O)Nc2c(O)cccc2F)c([N+](=O)[O-])c1 ZINC000833323597 600684867 /nfs/dbraw/zinc/68/48/67/600684867.db2.gz PWVPUWLMSHSCJZ-UHFFFAOYSA-N -1 1 356.287 1.939 20 5 FDBDMM C[C@H](NC(=O)c1ccc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703405 600818817 /nfs/dbraw/zinc/81/88/17/600818817.db2.gz NBYAYTQFRHNJLZ-GXTWGEPZSA-N -1 1 374.397 1.248 20 5 FDBDMM CN(CCn1cc([N+](=O)[O-])cn1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830800739 601903170 /nfs/dbraw/zinc/90/31/70/601903170.db2.gz WSEFTPRQSUQYLE-ZDUSSCGKSA-N -1 1 358.276 1.966 20 5 FDBDMM CN(CCn1ccc([N+](=O)[O-])n1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830800757 601904919 /nfs/dbraw/zinc/90/49/19/601904919.db2.gz XUPZEVHTOYPVMS-ZDUSSCGKSA-N -1 1 358.276 1.966 20 5 FDBDMM O=C([O-])N1CCC(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000740495920 601987191 /nfs/dbraw/zinc/98/71/91/601987191.db2.gz FSKSAEYFTOWKDY-UHFFFAOYSA-N -1 1 361.351 1.402 20 5 FDBDMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824929123 607585287 /nfs/dbraw/zinc/58/52/87/607585287.db2.gz WDNJKPLMTMZSCJ-NXEZZACHSA-N -1 1 366.403 1.632 20 5 FDBDMM CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCCC1 ZINC000824837235 607595508 /nfs/dbraw/zinc/59/55/08/607595508.db2.gz GEDAABYJHABITE-UHFFFAOYSA-N -1 1 366.403 1.776 20 5 FDBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000826467085 607606491 /nfs/dbraw/zinc/60/64/91/607606491.db2.gz GTYNCAFQVZURDO-UHFFFAOYSA-N -1 1 362.252 1.805 20 5 FDBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000826467085 607606493 /nfs/dbraw/zinc/60/64/93/607606493.db2.gz GTYNCAFQVZURDO-UHFFFAOYSA-N -1 1 362.252 1.805 20 5 FDBDMM O=C([O-])NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000832480949 603127407 /nfs/dbraw/zinc/12/74/07/603127407.db2.gz CEOHNXGKJXAUQC-WPRPVWTQSA-N -1 1 361.351 1.449 20 5 FDBDMM CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCN(C(=O)[O-])CC1 ZINC000828102894 603979833 /nfs/dbraw/zinc/97/98/33/603979833.db2.gz RPOSIGGHIXVNFR-UHFFFAOYSA-N -1 1 362.386 1.558 20 5 FDBDMM CC(C)Oc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccn1 ZINC000824318907 607734671 /nfs/dbraw/zinc/73/46/71/607734671.db2.gz AISVNCYHDUAXDX-UHFFFAOYSA-N -1 1 356.346 1.964 20 5 FDBDMM CC(C)Oc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccn1 ZINC000824318907 607734672 /nfs/dbraw/zinc/73/46/72/607734672.db2.gz AISVNCYHDUAXDX-UHFFFAOYSA-N -1 1 356.346 1.964 20 5 FDBDMM CCc1nn(Cc2ccc([N+](=O)[O-])cc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821516853 606171735 /nfs/dbraw/zinc/17/17/35/606171735.db2.gz DNKFYYPSZRVYOZ-UHFFFAOYSA-N -1 1 373.348 1.644 20 5 FDBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823294952 606292296 /nfs/dbraw/zinc/29/22/96/606292296.db2.gz ZFQZWFITTTYTIM-UHFFFAOYSA-N -1 1 371.269 1.641 20 5 FDBDMM COc1ccc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1[N+](=O)[O-] ZINC000821787623 606296703 /nfs/dbraw/zinc/29/67/03/606296703.db2.gz WGJMIJDKGUBYBD-UHFFFAOYSA-N -1 1 370.325 1.670 20 5 FDBDMM COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000821798902 606529662 /nfs/dbraw/zinc/52/96/62/606529662.db2.gz SISGKCCRFLADHU-UHFFFAOYSA-N -1 1 360.355 1.775 20 5 FDBDMM COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000821798902 606529664 /nfs/dbraw/zinc/52/96/64/606529664.db2.gz SISGKCCRFLADHU-UHFFFAOYSA-N -1 1 360.355 1.775 20 5 FDBDMM O=[N+]([O-])c1cc(NC[C@H](O)COc2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000823635224 606646092 /nfs/dbraw/zinc/64/60/92/606646092.db2.gz UHMWFNXPQVQJPA-LBPRGKRZSA-N -1 1 374.332 1.766 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](CO)Cc1ccc(F)cc1 ZINC000823620262 606698938 /nfs/dbraw/zinc/69/89/38/606698938.db2.gz JGSQCESNXRBAPF-LLVKDONJSA-N -1 1 373.348 1.572 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](CO)Cc1ccc(F)cc1 ZINC000823620262 606698939 /nfs/dbraw/zinc/69/89/39/606698939.db2.gz JGSQCESNXRBAPF-LLVKDONJSA-N -1 1 373.348 1.572 20 5 FDBDMM 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CC[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1CC(F)F ZINC000825221311 608234968 /nfs/dbraw/zinc/23/49/68/608234968.db2.gz ZPWMASVYNJYMGL-VIFPVBQESA-N -1 1 368.348 1.336 20 5 FDBDMM COC(=O)c1c[n-]c(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000278717640 675184911 /nfs/dbraw/zinc/18/49/11/675184911.db2.gz SMCDPVNWKXRCRI-UHFFFAOYSA-N -1 1 362.367 1.786 20 5 FDBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cn(C)c(=O)cc2C)c1F ZINC000121886830 671711285 /nfs/dbraw/zinc/71/12/85/671711285.db2.gz AOLDBDVGZKUXRE-UHFFFAOYSA-N -1 1 355.347 1.850 20 5 FDBDMM C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[S@](C)=O ZINC000124231081 671735038 /nfs/dbraw/zinc/73/50/38/671735038.db2.gz JTLXBUFJIMGYLA-FFVOIRBGSA-N -1 1 354.837 1.684 20 5 FDBDMM C[S@](=O)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000134728603 671829960 /nfs/dbraw/zinc/82/99/60/671829960.db2.gz ZAZJHYQGZFJSIA-GOSISDBHSA-N -1 1 371.234 1.014 20 5 FDBDMM CC(=O)NCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289089926 676092249 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/nfs/dbraw/zinc/00/95/69/553009569.db2.gz KURVSKFQBMTQCY-IINYFYTJSA-N -1 1 350.400 1.930 20 5 FDBDMM C[C@@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])COc2ccccc2O1 ZINC000599365338 553037178 /nfs/dbraw/zinc/03/71/78/553037178.db2.gz AIOGGWZKTIMKBE-OAHLLOKOSA-N -1 1 365.367 1.498 20 5 FDBDMM C[C@@H](CN(C)C(=O)c1c(Br)cccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000599764399 553141640 /nfs/dbraw/zinc/14/16/40/553141640.db2.gz YQQIUQIOPVLVLC-ZETCQYMHSA-N -1 1 369.179 1.746 20 5 FDBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000600867912 553322472 /nfs/dbraw/zinc/32/24/72/553322472.db2.gz DJERFWKCBIVOBE-NSHDSACASA-N -1 1 360.370 1.697 20 5 FDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](CCO)c1ccccc1 ZINC000610890035 554576109 /nfs/dbraw/zinc/57/61/09/554576109.db2.gz SMXHVEOARFDCCB-CYBMUJFWSA-N -1 1 351.384 1.434 20 5 FDBDMM Cc1c(CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610986909 554590845 /nfs/dbraw/zinc/59/08/45/554590845.db2.gz IEIKMWUTLMZLQX-INIZCTEOSA-N -1 1 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O=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1-c1nnn[n-]1 ZINC000826499035 607449053 /nfs/dbraw/zinc/44/90/53/607449053.db2.gz SPKIKWKLGGOTPN-UHFFFAOYSA-N -1 1 367.369 1.807 20 5 FDBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1-c1nn[n-]n1 ZINC000826499035 607449054 /nfs/dbraw/zinc/44/90/54/607449054.db2.gz SPKIKWKLGGOTPN-UHFFFAOYSA-N -1 1 367.369 1.807 20 5 FDBDMM COc1ccc([C@@H](O)CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000826189259 607451860 /nfs/dbraw/zinc/45/18/60/607451860.db2.gz QZUGJGLLESWRSG-HNNXBMFYSA-N -1 1 356.342 1.929 20 5 FDBDMM COc1ccc([C@@H](O)CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000826189259 607451862 /nfs/dbraw/zinc/45/18/62/607451862.db2.gz QZUGJGLLESWRSG-HNNXBMFYSA-N -1 1 356.342 1.929 20 5 FDBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000827374725 601089750 /nfs/dbraw/zinc/08/97/50/601089750.db2.gz LCKPAHKEJBCSLR-GFCCVEGCSA-N -1 1 364.402 1.282 20 5 FDBDMM O=C([O-])N1CC[C@H](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000740496104 602455920 /nfs/dbraw/zinc/45/59/20/602455920.db2.gz BRTJKTNLEBYYGC-VIFPVBQESA-N -1 1 361.351 1.402 20 5 FDBDMM C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824938090 607575376 /nfs/dbraw/zinc/57/53/76/607575376.db2.gz SJOJVXIJNBAGOA-ZJUUUORDSA-N -1 1 366.403 1.632 20 5 FDBDMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824929126 607585102 /nfs/dbraw/zinc/58/51/02/607585102.db2.gz WDNJKPLMTMZSCJ-ZJUUUORDSA-N -1 1 366.403 1.632 20 5 FDBDMM CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(C)C ZINC000825147573 607597614 /nfs/dbraw/zinc/59/76/14/607597614.db2.gz JTFYWWKRJQASEX-SECBINFHSA-N -1 1 354.392 1.488 20 5 FDBDMM COc1cc(CNC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])c([N+](=O)[O-])cc1O ZINC000829124380 603566266 /nfs/dbraw/zinc/56/62/66/603566266.db2.gz GDIJNEHZAXVBET-JOYOIKCWSA-N -1 1 369.374 1.902 20 5 FDBDMM CCN1C[C@H](C)N(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000833655197 605119517 /nfs/dbraw/zinc/11/95/17/605119517.db2.gz BCNCGOULSICXGL-NEPJUHHUSA-N -1 1 364.402 1.328 20 5 FDBDMM CCCC(=O)NC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821008780 606698266 /nfs/dbraw/zinc/69/82/66/606698266.db2.gz LEUHAJNBWHVSMP-UHFFFAOYSA-N -1 1 360.378 1.055 20 5 FDBDMM CCCC(=O)NC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821008780 606698268 /nfs/dbraw/zinc/69/82/68/606698268.db2.gz LEUHAJNBWHVSMP-UHFFFAOYSA-N -1 1 360.378 1.055 20 5 FDBDMM Cc1cccc(OC[C@@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822327371 606701786 /nfs/dbraw/zinc/70/17/86/606701786.db2.gz HCYFTDJOEFUNQU-NSHDSACASA-N -1 1 371.357 1.330 20 5 FDBDMM Cc1cccc(OC[C@@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822327371 606701788 /nfs/dbraw/zinc/70/17/88/606701788.db2.gz HCYFTDJOEFUNQU-NSHDSACASA-N -1 1 371.357 1.330 20 5 FDBDMM Cc1cnn([C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)c1 ZINC000822402788 606708657 /nfs/dbraw/zinc/70/86/57/606708657.db2.gz GSLQKLPYMRZSHU-LLVKDONJSA-N -1 1 355.362 1.516 20 5 FDBDMM Cc1cnn([C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)c1 ZINC000822402788 606708658 /nfs/dbraw/zinc/70/86/58/606708658.db2.gz GSLQKLPYMRZSHU-LLVKDONJSA-N -1 1 355.362 1.516 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc2c(c1)CCO2 ZINC000823624499 606711658 /nfs/dbraw/zinc/71/16/58/606711658.db2.gz ALAAVWFUEDJFKV-UHFFFAOYSA-N -1 1 353.342 1.759 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc2c(c1)CCO2 ZINC000823624499 606711660 /nfs/dbraw/zinc/71/16/60/606711660.db2.gz ALAAVWFUEDJFKV-UHFFFAOYSA-N -1 1 353.342 1.759 20 5 FDBDMM C[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820703320 606730511 /nfs/dbraw/zinc/73/05/11/606730511.db2.gz DQTBFBWYNRHVTE-SECBINFHSA-N -1 1 352.376 1.338 20 5 FDBDMM CC[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820982041 606732525 /nfs/dbraw/zinc/73/25/25/606732525.db2.gz ZMDIBQGULIVIAC-VIFPVBQESA-N -1 1 352.376 1.338 20 5 FDBDMM Cc1nn(Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822501182 607161168 /nfs/dbraw/zinc/16/11/68/607161168.db2.gz ZOFUJIHGWHGAAC-UHFFFAOYSA-N -1 1 361.749 1.650 20 5 FDBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@]12CCCO2 ZINC000273610240 674553991 /nfs/dbraw/zinc/55/39/91/674553991.db2.gz OJLARPNHAMSNTQ-GZBFAFLISA-N -1 1 374.390 1.739 20 5 FDBDMM Cc1cccc2nc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])n(C)c21 ZINC000822341023 607174909 /nfs/dbraw/zinc/17/49/09/607174909.db2.gz QZJBEWRMZCOZBR-UHFFFAOYSA-N -1 1 365.357 1.977 20 5 FDBDMM Cc1cccc2nc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])n(C)c21 ZINC000822341023 607174910 /nfs/dbraw/zinc/17/49/10/607174910.db2.gz QZJBEWRMZCOZBR-UHFFFAOYSA-N -1 1 365.357 1.977 20 5 FDBDMM O=[N+]([O-])c1cc(N2CCO[C@@H](c3nccs3)C2)ccc1-c1nn[n-]n1 ZINC000826498062 607841595 /nfs/dbraw/zinc/84/15/95/607841595.db2.gz GJRWMWNICAMFAC-GFCCVEGCSA-N -1 1 359.371 1.809 20 5 FDBDMM C[C@]1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCOC1 ZINC000158606915 671981463 /nfs/dbraw/zinc/98/14/63/671981463.db2.gz KMSKMLPRQROEOE-NSHDSACASA-N -1 1 365.205 1.815 20 5 FDBDMM CN1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1=O ZINC000289299104 676117653 /nfs/dbraw/zinc/11/76/53/676117653.db2.gz IBYPGQRFXPPSJC-LURJTMIESA-N -1 1 368.198 1.411 20 5 FDBDMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000416423252 679614713 /nfs/dbraw/zinc/61/47/13/679614713.db2.gz TVQJOOGWWZELMJ-ZCFIWIBFSA-N -1 1 356.278 1.611 20 5 FDBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000433451935 681189443 /nfs/dbraw/zinc/18/94/43/681189443.db2.gz SQTYXMKKBSAABQ-PWSUYJOCSA-N -1 1 364.807 1.721 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000435806525 681637423 /nfs/dbraw/zinc/63/74/23/681637423.db2.gz FOGPPGBEAGDRIU-UHFFFAOYSA-N -1 1 350.400 1.821 20 5 FDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@H](O)CO ZINC000436458209 681694484 /nfs/dbraw/zinc/69/44/84/681694484.db2.gz ZBESLWQCWUYICT-LBPRGKRZSA-N -1 1 367.383 1.161 20 5 FDBDMM CCO[C@H](C)c1noc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000444989708 682441175 /nfs/dbraw/zinc/44/11/75/682441175.db2.gz HOFWJSRSIAQQNP-MRVPVSSYSA-N -1 1 351.319 1.448 20 5 FDBDMM CS(=O)(=O)Cc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445187716 682454833 /nfs/dbraw/zinc/45/48/33/682454833.db2.gz HSGQPCMTZJPBRF-UHFFFAOYSA-N -1 1 365.367 1.170 20 5 FDBDMM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451658757 682915519 /nfs/dbraw/zinc/91/55/19/682915519.db2.gz NLWRUYJEVZHHAW-LBPRGKRZSA-N -1 1 352.796 1.314 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000451818218 682945562 /nfs/dbraw/zinc/94/55/62/682945562.db2.gz OLKCNGXXRCSERE-RYUDHWBXSA-N -1 1 360.436 1.541 20 5 FDBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000461117910 684563902 /nfs/dbraw/zinc/56/39/02/684563902.db2.gz BUMFRLHHVYDABN-UHFFFAOYSA-N -1 1 361.383 1.668 20 5 FDBDMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])o1 ZINC000461265886 684569199 /nfs/dbraw/zinc/56/91/99/684569199.db2.gz PEKVRRFETHZIMK-UHFFFAOYSA-N -1 1 353.356 1.068 20 5 FDBDMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000464380933 684740268 /nfs/dbraw/zinc/74/02/68/684740268.db2.gz WPTBWLSKEWJMBK-ZETCQYMHSA-N -1 1 370.305 1.985 20 5 FDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000479530386 686029132 /nfs/dbraw/zinc/02/91/32/686029132.db2.gz RYJXZUHUZRETQC-UHFFFAOYSA-N -1 1 358.763 1.987 20 5 FDBDMM CS(=O)(=O)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000502074447 688240786 /nfs/dbraw/zinc/24/07/86/688240786.db2.gz OJVZEKZYGVPLNE-UHFFFAOYSA-N -1 1 365.367 1.170 20 5 FDBDMM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000506805473 688593903 /nfs/dbraw/zinc/59/39/03/688593903.db2.gz LVOWZKVNRISHFF-UHFFFAOYSA-N -1 1 362.371 1.828 20 5 FDBDMM O=C(NCCCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000521408464 690413582 /nfs/dbraw/zinc/41/35/82/690413582.db2.gz VGQYACBHMAVUBZ-UHFFFAOYSA-N -1 1 365.367 1.289 20 5 FDBDMM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000531170171 694823584 /nfs/dbraw/zinc/82/35/84/694823584.db2.gz RGIBHEHHIBNGIW-UTSGRSJNSA-N -1 1 361.445 1.348 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])n1 ZINC000532853927 694892069 /nfs/dbraw/zinc/89/20/69/694892069.db2.gz AKSKCXJCXDYVNY-VXGBXAGGSA-N -1 1 360.436 1.685 20 5 FDBDMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000254979806 770582043 /nfs/dbraw/zinc/58/20/43/770582043.db2.gz NGUWPWHAUGLRFK-YVMONPNESA-N -1 1 367.365 1.877 20 5 FDBDMM Cn1[n-]cc2/c(=N\C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)ccnc1-2 ZINC000376696421 790336923 /nfs/dbraw/zinc/33/69/23/790336923.db2.gz OWSRKWOTTSIDFI-HKWRFOASSA-N -1 1 368.353 1.545 20 5 FDBDMM CC(=O)N1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000377056428 791018282 /nfs/dbraw/zinc/01/82/82/791018282.db2.gz KRCVDUVERFMDEX-CYBMUJFWSA-N -1 1 356.338 1.923 20 5 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COc1ccccc1OCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263012 554483764 /nfs/dbraw/zinc/48/37/64/554483764.db2.gz BJSCOZOGTYQPAW-UHFFFAOYSA-N -1 1 367.383 1.746 20 5 FDBDMM O=C1[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000610802121 554564008 /nfs/dbraw/zinc/56/40/08/554564008.db2.gz ZBDNHEUOZLMPFC-LBPRGKRZSA-N -1 1 368.415 1.202 20 5 FDBDMM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000611021806 554595498 /nfs/dbraw/zinc/59/54/98/554595498.db2.gz HZTKOMCEIVGCGU-YPMHNXCESA-N -1 1 351.384 1.433 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(OC)cc2OC)c([N+](=O)[O-])n1 ZINC000611105253 554605475 /nfs/dbraw/zinc/60/54/75/554605475.db2.gz KMAJXTSGBCQZGG-UHFFFAOYSA-N -1 1 370.387 1.307 20 5 FDBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C12CCCC2 ZINC000611106618 554605825 /nfs/dbraw/zinc/60/58/25/554605825.db2.gz LUXPCWGXGODNSS-OLZOCXBDSA-N -1 1 372.447 1.827 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000611108724 554606160 /nfs/dbraw/zinc/60/61/60/554606160.db2.gz IOLKCBYIYUKIMD-SNVBAGLBSA-N -1 1 372.378 1.696 20 5 FDBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccccn3)CC2)cc1-c1nn[n-]n1 ZINC000826498576 607449038 /nfs/dbraw/zinc/44/90/38/607449038.db2.gz BEBFZPXMZHUQNQ-UHFFFAOYSA-N -1 1 352.358 1.497 20 5 FDBDMM CCc1[nH]nc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)c1[N+](=O)[O-] ZINC000737247376 600602447 /nfs/dbraw/zinc/60/24/47/600602447.db2.gz HAVIOQMDJOCFTN-UHFFFAOYSA-N -1 1 354.348 1.391 20 5 FDBDMM Cc1nnc(SCCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[nH]1 ZINC000833021457 600959635 /nfs/dbraw/zinc/95/96/35/600959635.db2.gz LSNJPZHQEXWMPR-UHFFFAOYSA-N -1 1 351.344 1.840 20 5 FDBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000832097739 601554950 /nfs/dbraw/zinc/55/49/50/601554950.db2.gz KDARAZXHMIIRMM-HNNXBMFYSA-N -1 1 355.322 1.431 20 5 FDBDMM CN(CC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000739664360 602384199 /nfs/dbraw/zinc/38/41/99/602384199.db2.gz FDRCYUWGJMCWOI-UHFFFAOYSA-N -1 1 350.375 1.516 20 5 FDBDMM O=C([O-])N1CC[C@H](N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C2CC2)C1 ZINC000831942442 605465223 /nfs/dbraw/zinc/46/52/23/605465223.db2.gz SFHZJSMLHCALFV-NSHDSACASA-N -1 1 359.342 1.828 20 5 FDBDMM Cc1ccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822229037 606579865 /nfs/dbraw/zinc/57/98/65/606579865.db2.gz KVYZZADFCRSRSD-VIFPVBQESA-N -1 1 371.361 1.700 20 5 FDBDMM Cc1ccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822229037 606579866 /nfs/dbraw/zinc/57/98/66/606579866.db2.gz KVYZZADFCRSRSD-VIFPVBQESA-N -1 1 371.361 1.700 20 5 FDBDMM COc1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(OC)c1 ZINC000821794744 606703453 /nfs/dbraw/zinc/70/34/53/606703453.db2.gz LSQKQAFAEWUFRE-UHFFFAOYSA-N -1 1 371.357 1.842 20 5 FDBDMM COc1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(OC)c1 ZINC000821794744 606703454 /nfs/dbraw/zinc/70/34/54/606703454.db2.gz LSQKQAFAEWUFRE-UHFFFAOYSA-N -1 1 371.357 1.842 20 5 FDBDMM Cc1csc([C@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCO2)n1 ZINC000822409140 606705362 /nfs/dbraw/zinc/70/53/62/606705362.db2.gz MSDPPEOAACEEHB-SNVBAGLBSA-N -1 1 374.386 1.513 20 5 FDBDMM Cc1csc([C@H]2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCO2)n1 ZINC000822409140 606705364 /nfs/dbraw/zinc/70/53/64/606705364.db2.gz MSDPPEOAACEEHB-SNVBAGLBSA-N -1 1 374.386 1.513 20 5 FDBDMM CCCN(CC(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821094661 606732553 /nfs/dbraw/zinc/73/25/53/606732553.db2.gz NOKNGKFJVZMTRJ-UHFFFAOYSA-N -1 1 368.419 1.832 20 5 FDBDMM COC(=O)Cc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821663573 606878312 /nfs/dbraw/zinc/87/83/12/606878312.db2.gz DMRDMATYZLCHEE-UHFFFAOYSA-N -1 1 355.314 1.629 20 5 FDBDMM COC(=O)Cc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821663573 606878314 /nfs/dbraw/zinc/87/83/14/606878314.db2.gz DMRDMATYZLCHEE-UHFFFAOYSA-N -1 1 355.314 1.629 20 5 FDBDMM COc1ccc(OCCN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821842571 607162619 /nfs/dbraw/zinc/16/26/19/607162619.db2.gz SAGWMFLKERPGNN-UHFFFAOYSA-N -1 1 371.357 1.694 20 5 FDBDMM COc1ccc(OCCN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821842571 607162620 /nfs/dbraw/zinc/16/26/20/607162620.db2.gz SAGWMFLKERPGNN-UHFFFAOYSA-N -1 1 371.357 1.694 20 5 FDBDMM O=[N+]([O-])c1cc(N2CCO[C@H](c3nccs3)C2)ccc1-c1nn[n-]n1 ZINC000826498063 607841336 /nfs/dbraw/zinc/84/13/36/607841336.db2.gz GJRWMWNICAMFAC-LBPRGKRZSA-N -1 1 359.371 1.809 20 5 FDBDMM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826272670 607866799 /nfs/dbraw/zinc/86/67/99/607866799.db2.gz WAFHBEFTGLPFDF-UHFFFAOYSA-N -1 1 362.327 1.246 20 5 FDBDMM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826272670 607866800 /nfs/dbraw/zinc/86/68/00/607866800.db2.gz WAFHBEFTGLPFDF-UHFFFAOYSA-N -1 1 362.327 1.246 20 5 FDBDMM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(N)c([N+](=O)[O-])c1 ZINC000826260329 607997929 /nfs/dbraw/zinc/99/79/29/607997929.db2.gz IWUFCYCFSNUSNE-UHFFFAOYSA-N -1 1 355.314 1.623 20 5 FDBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824641026 608025537 /nfs/dbraw/zinc/02/55/37/608025537.db2.gz RJVMEIWHXFBFTE-MRVPVSSYSA-N -1 1 363.359 1.143 20 5 FDBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000826272933 608336625 /nfs/dbraw/zinc/33/66/25/608336625.db2.gz HQFXBJSVCKTRFT-UHFFFAOYSA-N -1 1 351.326 1.681 20 5 FDBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000826272933 608336627 /nfs/dbraw/zinc/33/66/27/608336627.db2.gz HQFXBJSVCKTRFT-UHFFFAOYSA-N -1 1 351.326 1.681 20 5 FDBDMM CC[C@@H](CSC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825128420 608424888 /nfs/dbraw/zinc/42/48/88/608424888.db2.gz UAEMHMDVGJMBFJ-QMMMGPOBSA-N -1 1 372.432 1.195 20 5 FDBDMM O=C(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])OC1CCCCC1 ZINC000273738488 674568102 /nfs/dbraw/zinc/56/81/02/674568102.db2.gz UZSBBNZUWBSWQQ-UHFFFAOYSA-N -1 1 356.400 1.890 20 5 FDBDMM O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277953795 675069403 /nfs/dbraw/zinc/06/94/03/675069403.db2.gz CYWAJQNCHSLOQV-LLVKDONJSA-N -1 1 353.400 1.870 20 5 FDBDMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000015756121 670634471 /nfs/dbraw/zinc/63/44/71/670634471.db2.gz LVQUJAOTZSCAFB-UHFFFAOYSA-N -1 1 350.356 1.337 20 5 FDBDMM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)ccc1[N+](=O)[O-] ZINC000115924540 671655438 /nfs/dbraw/zinc/65/54/38/671655438.db2.gz FKVBSVCWHFCPND-UHFFFAOYSA-N -1 1 360.351 1.898 20 5 FDBDMM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccco1 ZINC000194333301 672383116 /nfs/dbraw/zinc/38/31/16/672383116.db2.gz CQFYFDJKSFGUIJ-NSHDSACASA-N -1 1 357.363 1.908 20 5 FDBDMM COCCOCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289315583 676119286 /nfs/dbraw/zinc/11/92/86/676119286.db2.gz KIDABXLXWHQADX-UHFFFAOYSA-N -1 1 373.214 1.843 20 5 FDBDMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000289568810 676153872 /nfs/dbraw/zinc/15/38/72/676153872.db2.gz OFWKIZBIZYYJFO-SNVBAGLBSA-N -1 1 370.387 1.862 20 5 FDBDMM C[C@H](CN(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000279817576 675351137 /nfs/dbraw/zinc/35/11/37/675351137.db2.gz QIPFLGWEMKJFIH-SSDOTTSWSA-N -1 1 356.745 1.705 20 5 FDBDMM C[S@@](=O)C1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000280814341 675459060 /nfs/dbraw/zinc/45/90/60/675459060.db2.gz UFKQNKULTYQEOM-OAQYLSRUSA-N -1 1 350.393 1.313 20 5 FDBDMM C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281236205 675503065 /nfs/dbraw/zinc/50/30/65/675503065.db2.gz SQCTWUDILWBQKG-MRVPVSSYSA-N -1 1 362.770 1.951 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCO[C@H]1CCCCO1 ZINC000281265530 675505673 /nfs/dbraw/zinc/50/56/73/675505673.db2.gz VYADBBHVYJPQOC-ZDUSSCGKSA-N -1 1 362.379 1.946 20 5 FDBDMM COCCOCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281284072 675507480 /nfs/dbraw/zinc/50/74/80/675507480.db2.gz XMPJGKUDOGVOKH-UHFFFAOYSA-N -1 1 370.786 1.719 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)[C@@H]2O)c(F)c1 ZINC000416616642 679692792 /nfs/dbraw/zinc/69/27/92/679692792.db2.gz ADAUVDTZEMGOQQ-GXSJLCMTSA-N -1 1 354.306 1.561 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)c3ccccc32)s1 ZINC000372758264 677972645 /nfs/dbraw/zinc/97/26/45/677972645.db2.gz BNOOVCPOWSLCRQ-VIFPVBQESA-N -1 1 374.421 1.463 20 5 FDBDMM CN1C[C@@H]2CCCN(S(=O)(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000424596145 680851624 /nfs/dbraw/zinc/85/16/24/680851624.db2.gz IJCPZGGGBAGATE-IINYFYTJSA-N -1 1 369.399 1.008 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)CCCc2cccnc2)c([N+](=O)[O-])n1 ZINC000416535991 679649766 /nfs/dbraw/zinc/64/97/66/679649766.db2.gz KVVSXNGWBBVGHM-GFCCVEGCSA-N -1 1 367.431 1.896 20 5 FDBDMM CCS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000473801795 685332351 /nfs/dbraw/zinc/33/23/51/685332351.db2.gz WPLIECDWUUWTRM-UHFFFAOYSA-N -1 1 371.396 1.481 20 5 FDBDMM CCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])[nH]n1 ZINC000474412752 685406175 /nfs/dbraw/zinc/40/61/75/685406175.db2.gz LAPSGMWZUZQKME-UHFFFAOYSA-N -1 1 368.371 1.858 20 5 FDBDMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)no1 ZINC000443145460 682240985 /nfs/dbraw/zinc/24/09/85/682240985.db2.gz IVOLGHOEECPSDG-UHFFFAOYSA-N -1 1 358.351 1.893 20 5 FDBDMM CC(C)(NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nn[n-]n1 ZINC000474996237 685551419 /nfs/dbraw/zinc/55/14/19/685551419.db2.gz ZQCUNXOSWKROMX-UHFFFAOYSA-N -1 1 359.371 1.897 20 5 FDBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1nccc(C)c1[N+](=O)[O-] ZINC000463248636 684680339 /nfs/dbraw/zinc/68/03/39/684680339.db2.gz VKCWWUDJBXOFGB-UHFFFAOYSA-N -1 1 373.416 1.159 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(C)cc2)c([N+](=O)[O-])n1 ZINC000466725704 684823166 /nfs/dbraw/zinc/82/31/66/684823166.db2.gz XYEOXJIPYRNCBV-CYBMUJFWSA-N -1 1 368.415 1.002 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCS1(=O)=O ZINC000480851320 686238384 /nfs/dbraw/zinc/23/83/84/686238384.db2.gz ZJEMZHVUTYOAIO-QMMMGPOBSA-N -1 1 368.820 1.104 20 5 FDBDMM CSc1cccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1[N+](=O)[O-] ZINC000486470585 686897026 /nfs/dbraw/zinc/89/70/26/686897026.db2.gz PKOWEYMEJAKBPC-UHFFFAOYSA-N -1 1 357.373 1.091 20 5 FDBDMM CSc1cccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1[N+](=O)[O-] ZINC000486470585 686897027 /nfs/dbraw/zinc/89/70/27/686897027.db2.gz PKOWEYMEJAKBPC-UHFFFAOYSA-N -1 1 357.373 1.091 20 5 FDBDMM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(=O)n1C ZINC000487343271 686977174 /nfs/dbraw/zinc/97/71/74/686977174.db2.gz XOHFZJZVWPEYCI-UHFFFAOYSA-N -1 1 371.802 1.734 20 5 FDBDMM Cc1cccc2oc(CC[N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])nc21 ZINC000517535581 690072736 /nfs/dbraw/zinc/07/27/36/690072736.db2.gz JMMMYIDFWULWID-UHFFFAOYSA-N -1 1 362.367 1.960 20 5 FDBDMM O=C1CCCN1[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000518564332 690148718 /nfs/dbraw/zinc/14/87/18/690148718.db2.gz LHGGTXFIKCBHAD-RYUDHWBXSA-N -1 1 368.415 1.202 20 5 FDBDMM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccccc1F ZINC000525697308 694634539 /nfs/dbraw/zinc/63/45/39/694634539.db2.gz FJNXUAZOMCZGDT-SNVBAGLBSA-N -1 1 355.347 1.875 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(OC)cc2F)c([N+](=O)[O-])n1 ZINC000532857946 694893078 /nfs/dbraw/zinc/89/30/78/694893078.db2.gz GOTKTFPRJOPZJD-UHFFFAOYSA-N -1 1 358.351 1.437 20 5 FDBDMM CCn1c(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n[n-]c1=S ZINC000097550761 770186045 /nfs/dbraw/zinc/18/60/45/770186045.db2.gz GSUSHTVDRXOUJG-UHFFFAOYSA-N -1 1 373.398 1.984 20 5 FDBDMM Cn1[n-]cc2/c(=N\C(=O)N3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)ccnc1-2 ZINC000376593050 788939761 /nfs/dbraw/zinc/93/97/61/788939761.db2.gz PEPRGIHIQLKFCH-QTVDBSQPSA-N -1 1 370.373 1.316 20 5 FDBDMM O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000281397431 825950971 /nfs/dbraw/zinc/95/09/71/825950971.db2.gz YKMKIXZKVGELOG-OAHLLOKOSA-N -1 1 371.393 1.449 20 5 FDBDMM COC(=O)c1cc([N-]C(=O)c2c(OC)ncnc2OC)cc([N+](=O)[O-])c1 ZINC000522918518 826454519 /nfs/dbraw/zinc/45/45/19/826454519.db2.gz KAFIGOBBDHDKJJ-UHFFFAOYSA-N -1 1 362.298 1.441 20 5 FDBDMM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cccc2cn[nH]c21 ZINC000151444676 862287629 /nfs/dbraw/zinc/28/76/29/862287629.db2.gz HFLGRCJMHSLMIX-UHFFFAOYSA-N -1 1 374.378 1.773 20 5 FDBDMM CN(C)C(=O)Nc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000485435798 852232219 /nfs/dbraw/zinc/23/22/19/852232219.db2.gz JFKJTVYESISACV-UHFFFAOYSA-N -1 1 359.342 1.719 20 5 FDBDMM COC(=O)[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000456968750 867209071 /nfs/dbraw/zinc/20/90/71/867209071.db2.gz XGLGCPISVAEVIM-KBPBESRZSA-N -1 1 371.349 1.724 20 5 FDBDMM CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765745633 908626925 /nfs/dbraw/zinc/62/69/25/908626925.db2.gz MSMVPXPDFACALV-VHSXEESVSA-N -1 1 361.807 1.441 20 5 FDBDMM CN(C)[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000921636320 909078234 /nfs/dbraw/zinc/07/82/34/909078234.db2.gz SVUAGAMSQNOSCD-NSHDSACASA-N -1 1 373.328 1.895 20 5 FDBDMM CCCCOC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000735502143 924366414 /nfs/dbraw/zinc/36/64/14/924366414.db2.gz JAVUGWDTFOYBEI-UHFFFAOYSA-N -1 1 350.780 1.870 20 5 FDBDMM O=C(NC[C@@H](O)c1c(F)cccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000741293681 925694982 /nfs/dbraw/zinc/69/49/82/925694982.db2.gz RWUDRPCYWXTUDV-LLVKDONJSA-N -1 1 355.709 1.951 20 5 FDBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000742283103 925997911 /nfs/dbraw/zinc/99/79/11/925997911.db2.gz OGZNVUMBOLKSHI-UHFFFAOYSA-N -1 1 352.328 1.419 20 5 FDBDMM O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000742650480 926112445 /nfs/dbraw/zinc/11/24/45/926112445.db2.gz PRIRJDSRMMGXJM-SNVBAGLBSA-N -1 1 372.263 1.340 20 5 FDBDMM COC(=O)C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCOC1 ZINC000770293754 929956980 /nfs/dbraw/zinc/95/69/80/929956980.db2.gz RJPGFQUNWYBMJK-LBPRGKRZSA-N -1 1 364.401 1.047 20 5 FDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000770628970 930163084 /nfs/dbraw/zinc/16/30/84/930163084.db2.gz IPPOHOQKMLRKFV-WCQYABFASA-N -1 1 363.326 1.253 20 5 FDBDMM O=C(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)OCc1ccc(Cl)cc1 ZINC000770723457 930194870 /nfs/dbraw/zinc/19/48/70/930194870.db2.gz ZBAKTFSUQWDTLI-UHFFFAOYSA-N -1 1 365.729 1.822 20 5 FDBDMM COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000770740731 930244523 /nfs/dbraw/zinc/24/45/23/930244523.db2.gz RTHAJKHVYODVOF-NXEZZACHSA-N -1 1 352.347 1.292 20 5 FDBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000772226454 931138274 /nfs/dbraw/zinc/13/82/74/931138274.db2.gz PVISIJKTEZJZEX-SNVBAGLBSA-N -1 1 352.738 1.283 20 5 FDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787734920 932401109 /nfs/dbraw/zinc/40/11/09/932401109.db2.gz HDYNNBBHECMNBE-RTHLEPHNSA-N -1 1 361.310 1.276 20 5 FDBDMM CCOc1cc([N+](=O)[O-])c(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1OC ZINC000791287649 933956841 /nfs/dbraw/zinc/95/68/41/933956841.db2.gz VOVNHCPZVIQKRQ-UHFFFAOYSA-N -1 1 371.353 1.910 20 5 FDBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000809820342 940908616 /nfs/dbraw/zinc/90/86/16/940908616.db2.gz VHHWTKWOKFJQDE-GFCCVEGCSA-N -1 1 352.771 1.827 20 5 FDBDMM COCC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000810093468 940951899 /nfs/dbraw/zinc/95/18/99/940951899.db2.gz GNANHXSUDHGFQG-QMMMGPOBSA-N -1 1 370.786 1.717 20 5 FDBDMM COC(=O)c1ccccc1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001195297447 970830014 /nfs/dbraw/zinc/83/00/14/970830014.db2.gz XGWRHWFHZZMKAY-UHFFFAOYSA-N -1 1 365.367 1.297 20 5 FDBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000815017806 941754225 /nfs/dbraw/zinc/75/42/25/941754225.db2.gz WIBQIRSJRXRGPG-GFCCVEGCSA-N -1 1 352.771 1.827 20 5 FDBDMM CC(C)[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(N)=O ZINC000815045439 941759268 /nfs/dbraw/zinc/75/92/68/941759268.db2.gz REVBVYHZFIVXPW-LBPRGKRZSA-N -1 1 367.786 1.566 20 5 FDBDMM COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815025090 941762790 /nfs/dbraw/zinc/76/27/90/941762790.db2.gz BGONXQIRILVDFJ-UHFFFAOYSA-N -1 1 366.754 1.761 20 5 FDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCn2ccnc2C1 ZINC000815035682 941766494 /nfs/dbraw/zinc/76/64/94/941766494.db2.gz FJTKUKBYPCSJPW-MRVPVSSYSA-N -1 1 374.781 1.877 20 5 FDBDMM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815037244 941767563 /nfs/dbraw/zinc/76/75/63/941767563.db2.gz WMDQNDBTFBESIA-QWRGUYRKSA-N -1 1 352.771 1.825 20 5 FDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCC1CC(O)C1 ZINC000815039686 941768314 /nfs/dbraw/zinc/76/83/14/941768314.db2.gz XEJLUFHGZQZWGP-UHFFFAOYSA-N -1 1 352.771 1.827 20 5 FDBDMM CON(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000817148097 942543900 /nfs/dbraw/zinc/54/39/00/942543900.db2.gz BLDIWMXIECTQID-UHFFFAOYSA-N -1 1 372.186 1.200 20 5 FDBDMM CC1(C)O[C@@H]2C[C@@H]([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]2O1 ZINC001195513149 971009995 /nfs/dbraw/zinc/00/99/95/971009995.db2.gz XKIFYHBLVLEBEB-UIKWRGBMSA-N -1 1 360.363 1.695 20 5 FDBDMM CC1([C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)OCCO1 ZINC000824816277 946940330 /nfs/dbraw/zinc/94/03/30/946940330.db2.gz ACYLCJCBXFUASL-SNVBAGLBSA-N -1 1 361.362 1.149 20 5 FDBDMM CC1([C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)OCCO1 ZINC000824816277 946940338 /nfs/dbraw/zinc/94/03/38/946940338.db2.gz ACYLCJCBXFUASL-SNVBAGLBSA-N -1 1 361.362 1.149 20 5 FDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC001144164028 948284095 /nfs/dbraw/zinc/28/40/95/948284095.db2.gz AGMNVXCGTJQVLI-AWEZNQCLSA-N -1 1 358.354 1.912 20 5 FDBDMM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000773314345 961082943 /nfs/dbraw/zinc/08/29/43/961082943.db2.gz JVTNPUVSCIPQGO-JTQLQIEISA-N -1 1 361.358 1.769 20 5 FDBDMM CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001188830238 966583345 /nfs/dbraw/zinc/58/33/45/966583345.db2.gz TYJVRWYZLZZYAL-LDYMZIIASA-N -1 1 352.409 1.433 20 5 FDBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C(OC)OC ZINC001192327929 969064647 /nfs/dbraw/zinc/06/46/47/969064647.db2.gz RQKHTCLCIZTJKF-SNVBAGLBSA-N -1 1 350.368 1.718 20 5 FDBDMM Cc1ccc(N2CCC[C@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000776347279 976039058 /nfs/dbraw/zinc/03/90/58/976039058.db2.gz APAWLDJOSJJRPC-AWEZNQCLSA-N -1 1 370.365 1.929 20 5 FDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCN(CCF)C2)cc1F ZINC000867714306 976706558 /nfs/dbraw/zinc/70/65/58/976706558.db2.gz ZXMRFQPVOCQAJJ-NSHDSACASA-N -1 1 363.386 1.755 20 5 FDBDMM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)N(C)C1CC1 ZINC001592722699 979226090 /nfs/dbraw/zinc/22/60/90/979226090.db2.gz KKGSVOIMBNHGDD-VIFPVBQESA-N -1 1 357.388 1.054 20 5 FDBDMM CCC1(CC)CNC(=O)[C@H]1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595376210 980903530 /nfs/dbraw/zinc/90/35/30/980903530.db2.gz QJDZYJRCMSIVED-OAHLLOKOSA-N -1 1 365.386 1.453 20 5 FDBDMM O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000859277875 982674030 /nfs/dbraw/zinc/67/40/30/982674030.db2.gz DTMZADPQPZGJOZ-CQSZACIVSA-N -1 1 354.326 1.475 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](Cc2ccncc2)C1 ZINC000826496563 986634825 /nfs/dbraw/zinc/63/48/25/986634825.db2.gz AATGAHLZQMRXIB-LBPRGKRZSA-N -1 1 352.358 1.634 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](Cc2ccncc2)C1 ZINC000826496563 986634829 /nfs/dbraw/zinc/63/48/29/986634829.db2.gz AATGAHLZQMRXIB-LBPRGKRZSA-N -1 1 352.358 1.634 20 5 FDBDMM CCOC(=O)c1cnn(Cc2c(F)cccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825571211 987445449 /nfs/dbraw/zinc/44/54/49/987445449.db2.gz VILJBGDIMBQGOI-UHFFFAOYSA-N -1 1 361.293 1.336 20 5 FDBDMM CCc1[nH]nc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001597399314 987656578 /nfs/dbraw/zinc/65/65/78/987656578.db2.gz DWIFZOQANSFWEN-QGZVFWFLSA-N -1 1 358.354 1.749 20 5 FDBDMM Cn1cc([C@@H]2[C@H](CNC(=O)c3cccc([N+](=O)[O-])c3[O-])CCCN2C)cn1 ZINC000363917081 989460802 /nfs/dbraw/zinc/46/08/02/989460802.db2.gz GJDIIRYVOWNGGT-LRDDRELGSA-N -1 1 373.413 1.847 20 5 FDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCN(c2ncccc2F)CC1 ZINC000364757227 989772115 /nfs/dbraw/zinc/77/21/15/989772115.db2.gz POOWVSLFLXOXCT-UHFFFAOYSA-N -1 1 361.333 1.582 20 5 FDBDMM CN(C)CC(=O)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001598196619 990802322 /nfs/dbraw/zinc/80/23/22/990802322.db2.gz IPPFISGOWXINJD-UHFFFAOYSA-N -1 1 370.793 1.157 20 5 FDBDMM CN(CCN1CCCCC1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001598487692 992229925 /nfs/dbraw/zinc/22/99/25/992229925.db2.gz BYNOMZSFIFECQQ-UHFFFAOYSA-N -1 1 371.415 1.399 20 5 FDBDMM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1CCC(=O)[O-] ZINC001594463258 999677788 /nfs/dbraw/zinc/67/77/88/999677788.db2.gz UWFDFXGLGPERKR-UHOFOFEASA-N -1 1 361.398 1.706 20 5 FDBDMM C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000778516462 1006380594 /nfs/dbraw/zinc/38/05/94/1006380594.db2.gz YBZUWNKGMPJCII-VIFPVBQESA-N -1 1 354.363 1.729 20 5 FDBDMM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000269756006 180380253 /nfs/dbraw/zinc/38/02/53/180380253.db2.gz IPFYWBSXGWQGBU-NSHDSACASA-N -1 1 354.837 1.641 20 5 FDBDMM Cc1cc(N2CCC(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)nc(C)n1 ZINC000274929895 181198362 /nfs/dbraw/zinc/19/83/62/181198362.db2.gz ALJQOUUEACJURO-UHFFFAOYSA-N -1 1 372.385 1.501 20 5 FDBDMM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275033829 181222490 /nfs/dbraw/zinc/22/24/90/181222490.db2.gz UNPCQQVRUIRWIO-KCJUWKMLSA-N -1 1 354.388 1.125 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](OC)c2ccccc2)c([N+](=O)[O-])n1 ZINC000533270060 540223567 /nfs/dbraw/zinc/22/35/67/540223567.db2.gz 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CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000295843408 184108539 /nfs/dbraw/zinc/10/85/39/184108539.db2.gz WQTAZTSKTLZUCG-GMSGAONNSA-N -1 1 358.750 1.931 20 5 FDBDMM CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000552112547 543420169 /nfs/dbraw/zinc/42/01/69/543420169.db2.gz IQULIEZOOMMDPH-UHFFFAOYSA-N -1 1 359.386 1.685 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000330455959 259145721 /nfs/dbraw/zinc/14/57/21/259145721.db2.gz OMGGCOJULNJXDY-YPMHNXCESA-N -1 1 374.463 1.931 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCOc3c(C)cccc32)c([N+](=O)[O-])n1 ZINC000331893090 259226869 /nfs/dbraw/zinc/22/68/69/259226869.db2.gz FBVCNSCIJNYLJD-GFCCVEGCSA-N -1 1 366.399 1.922 20 5 FDBDMM O=C1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H]2CCCCN12 ZINC000368477989 260189059 /nfs/dbraw/zinc/18/90/59/260189059.db2.gz MVWBKNJRJMSEJG-MNOVXSKESA-N -1 1 357.363 1.166 20 5 FDBDMM 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VUFHFEGSYPJTPX-OAHLLOKOSA-N -1 1 374.415 1.327 20 5 FDBDMM COC(=O)[C@](C)([N-]S(=O)(=O)[C@@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000599487912 553071385 /nfs/dbraw/zinc/07/13/85/553071385.db2.gz VNXFQILTFPQWQZ-PSOPSSQASA-N -1 1 372.399 1.080 20 5 FDBDMM O=C1[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C1CCC1 ZINC000599524847 553080841 /nfs/dbraw/zinc/08/08/41/553080841.db2.gz DDVXQOFIEMVHBZ-LLVKDONJSA-N -1 1 373.818 1.680 20 5 FDBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C2CC2)cn1 ZINC000599524807 553080922 /nfs/dbraw/zinc/08/09/22/553080922.db2.gz CNEQDGGWKGNYDO-CYBMUJFWSA-N -1 1 367.387 1.162 20 5 FDBDMM CCC[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)c1nn[n-]n1 ZINC000599650242 553112820 /nfs/dbraw/zinc/11/28/20/553112820.db2.gz GTMPJSMKRRKSKU-LLVKDONJSA-N -1 1 374.336 1.704 20 5 FDBDMM CCO[C@H](CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-])C1CC1 ZINC000600655141 553292311 /nfs/dbraw/zinc/29/23/11/553292311.db2.gz JMNCESJPARWEFN-GFCCVEGCSA-N -1 1 358.372 1.850 20 5 FDBDMM CCOc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000600869510 553322680 /nfs/dbraw/zinc/32/26/80/553322680.db2.gz MTVIWNJNYJNBPB-LBPRGKRZSA-N -1 1 365.386 1.615 20 5 FDBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000600870707 553322810 /nfs/dbraw/zinc/32/28/10/553322810.db2.gz YUSCYFWIECYFJQ-CYBMUJFWSA-N -1 1 364.402 1.404 20 5 FDBDMM COc1cc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000600877570 553323965 /nfs/dbraw/zinc/32/39/65/553323965.db2.gz ZBOJQZFMQQILIH-UHFFFAOYSA-N -1 1 351.359 1.224 20 5 FDBDMM COc1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000604073897 553839624 /nfs/dbraw/zinc/83/96/24/553839624.db2.gz OWGMNMMESUQBLI-UHFFFAOYSA-N -1 1 354.322 1.770 20 5 FDBDMM NC(=O)c1ccc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000604446963 553878218 /nfs/dbraw/zinc/87/82/18/553878218.db2.gz AESSZPUJMQBSFU-MRXNPFEDSA-N -1 1 355.350 1.878 20 5 FDBDMM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000610263645 554483720 /nfs/dbraw/zinc/48/37/20/554483720.db2.gz NDQTURRNDHHMJI-LLVKDONJSA-N -1 1 351.384 1.908 20 5 FDBDMM O=C1[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000610263471 554483833 /nfs/dbraw/zinc/48/38/33/554483833.db2.gz QRZBRTIGHKAVHU-GFCCVEGCSA-N -1 1 362.367 1.074 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CO)[C@@H](C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000611105893 554605648 /nfs/dbraw/zinc/60/56/48/554605648.db2.gz DRBUIJZEDOGKHL-AAEUAGOBSA-N -1 1 368.415 1.254 20 5 FDBDMM COc1cc(CCNc2nccnc2-c2nnn[n-]2)c([N+](=O)[O-])cc1OC ZINC000737045335 598339913 /nfs/dbraw/zinc/33/99/13/598339913.db2.gz IMIVXMZGQQHTTB-UHFFFAOYSA-N -1 1 372.345 1.237 20 5 FDBDMM COc1cc(CCNc2nccnc2-c2nn[n-]n2)c([N+](=O)[O-])cc1OC ZINC000737045335 598339914 /nfs/dbraw/zinc/33/99/14/598339914.db2.gz IMIVXMZGQQHTTB-UHFFFAOYSA-N -1 1 372.345 1.237 20 5 FDBDMM O=C(NCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826438152 607450407 /nfs/dbraw/zinc/45/04/07/607450407.db2.gz PILVOWMIVNDBMU-UHFFFAOYSA-N -1 1 353.342 1.617 20 5 FDBDMM O=C(NCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826438152 607450410 /nfs/dbraw/zinc/45/04/10/607450410.db2.gz PILVOWMIVNDBMU-UHFFFAOYSA-N -1 1 353.342 1.617 20 5 FDBDMM CN(C(=O)[O-])[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000739585798 601971699 /nfs/dbraw/zinc/97/16/99/601971699.db2.gz PPIBJQKAHUTEMH-UONOGXRCSA-N -1 1 353.375 1.409 20 5 FDBDMM CCCCN(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825281372 607585038 /nfs/dbraw/zinc/58/50/38/607585038.db2.gz BNTIWKSVEHHEEZ-UHFFFAOYSA-N -1 1 366.403 1.728 20 5 FDBDMM CC(C)N(CC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824288920 607586465 /nfs/dbraw/zinc/58/64/65/607586465.db2.gz PZMPNUIROQYKRO-UHFFFAOYSA-N -1 1 366.403 1.584 20 5 FDBDMM C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CC1 ZINC000824427808 607597020 /nfs/dbraw/zinc/59/70/20/607597020.db2.gz PGZMCAMNUWOOPK-QMMMGPOBSA-N -1 1 352.376 1.099 20 5 FDBDMM O=C([O-])NC[C@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000832480946 603127398 /nfs/dbraw/zinc/12/73/98/603127398.db2.gz CEOHNXGKJXAUQC-PSASIEDQSA-N -1 1 361.351 1.449 20 5 FDBDMM Cc1c(NC(=O)CCN2CCN(C(=O)[O-])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000740051585 603363911 /nfs/dbraw/zinc/36/39/11/603363911.db2.gz ZBJKZYNRJUCDNI-LLVKDONJSA-N -1 1 350.375 1.916 20 5 FDBDMM COc1cc(CNC[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])c([N+](=O)[O-])cc1O ZINC000829124379 603565749 /nfs/dbraw/zinc/56/57/49/603565749.db2.gz GDIJNEHZAXVBET-CABZTGNLSA-N -1 1 369.374 1.902 20 5 FDBDMM COc1ccc(OCCN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000829499668 603567227 /nfs/dbraw/zinc/56/72/27/603567227.db2.gz BNDAUZNUOUAOOD-DGCLKSJQSA-N -1 1 353.375 1.960 20 5 FDBDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000825264503 604228098 /nfs/dbraw/zinc/22/80/98/604228098.db2.gz KXGBGNNOSJRCMC-CMPLNLGQSA-N -1 1 350.375 1.562 20 5 FDBDMM Cc1c([C@H](C)NCC(=O)N2CCN(C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000829858928 604770963 /nfs/dbraw/zinc/77/09/63/604770963.db2.gz GCXYSMMXCDFFSL-LBPRGKRZSA-N -1 1 350.375 1.376 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@]1(O)CCc2ccccc21 ZINC000826497521 607739517 /nfs/dbraw/zinc/73/95/17/607739517.db2.gz JXHUOTUYIKQWRT-MRXNPFEDSA-N -1 1 353.342 1.416 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@]1(O)CCc2ccccc21 ZINC000826497521 607739518 /nfs/dbraw/zinc/73/95/18/607739518.db2.gz JXHUOTUYIKQWRT-MRXNPFEDSA-N -1 1 353.342 1.416 20 5 FDBDMM O=C([O-])NC[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000834218559 605350763 /nfs/dbraw/zinc/35/07/63/605350763.db2.gz IDQCBNXJEZZKBY-QWHCGFSZSA-N -1 1 353.375 1.457 20 5 FDBDMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000833832946 605907728 /nfs/dbraw/zinc/90/77/28/605907728.db2.gz VOQHTVJPAQIOFW-TYNCELHUSA-N -1 1 362.386 1.678 20 5 FDBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822458636 606298223 /nfs/dbraw/zinc/29/82/23/606298223.db2.gz GRCWTFGVUMIRIG-UHFFFAOYSA-N -1 1 358.318 1.014 20 5 FDBDMM Cc1cc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000822211702 606378698 /nfs/dbraw/zinc/37/86/98/606378698.db2.gz LNSALHLDCLIBDW-UHFFFAOYSA-N -1 1 361.339 1.851 20 5 FDBDMM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821845518 606516676 /nfs/dbraw/zinc/51/66/76/606516676.db2.gz HJCHUWQPSKHMOL-UHFFFAOYSA-N -1 1 356.298 1.536 20 5 FDBDMM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821845518 606516677 /nfs/dbraw/zinc/51/66/77/606516677.db2.gz HJCHUWQPSKHMOL-UHFFFAOYSA-N -1 1 356.298 1.536 20 5 FDBDMM COc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821708328 606652574 /nfs/dbraw/zinc/65/25/74/606652574.db2.gz MZKGKVALJZRTTG-UHFFFAOYSA-N -1 1 356.298 1.536 20 5 FDBDMM COc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821708328 606652575 /nfs/dbraw/zinc/65/25/75/606652575.db2.gz MZKGKVALJZRTTG-UHFFFAOYSA-N -1 1 356.298 1.536 20 5 FDBDMM O=C(CC1CCCCC1)NCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822940853 606705123 /nfs/dbraw/zinc/70/51/23/606705123.db2.gz HFSOTIQGAZWCCC-UHFFFAOYSA-N -1 1 374.405 1.668 20 5 FDBDMM O=C(CC1CCCCC1)NCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822940853 606705125 /nfs/dbraw/zinc/70/51/25/606705125.db2.gz HFSOTIQGAZWCCC-UHFFFAOYSA-N -1 1 374.405 1.668 20 5 FDBDMM Cc1cnn(CC2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1 ZINC000822402503 606708527 /nfs/dbraw/zinc/70/85/27/606708527.db2.gz BTETWWLRVKFBTE-UHFFFAOYSA-N -1 1 369.389 1.591 20 5 FDBDMM Cc1cnn(CC2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1 ZINC000822402503 606708528 /nfs/dbraw/zinc/70/85/28/606708528.db2.gz BTETWWLRVKFBTE-UHFFFAOYSA-N -1 1 369.389 1.591 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ccc(F)cc1F ZINC000823624502 606709456 /nfs/dbraw/zinc/70/94/56/606709456.db2.gz ANGZPFWZWKLPSW-UHFFFAOYSA-N -1 1 363.284 1.939 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ccc(F)cc1F ZINC000823624502 606709458 /nfs/dbraw/zinc/70/94/58/606709458.db2.gz ANGZPFWZWKLPSW-UHFFFAOYSA-N -1 1 363.284 1.939 20 5 FDBDMM C[C@@H]1C[C@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820659189 606734026 /nfs/dbraw/zinc/73/40/26/606734026.db2.gz XDMGWJVOSHQHOC-DTWKUNHWSA-N -1 1 352.376 1.194 20 5 FDBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000820462047 607027944 /nfs/dbraw/zinc/02/79/44/607027944.db2.gz UGWWIPPEWZKJHN-QMMMGPOBSA-N -1 1 356.350 1.271 20 5 FDBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000820462047 607027945 /nfs/dbraw/zinc/02/79/45/607027945.db2.gz UGWWIPPEWZKJHN-QMMMGPOBSA-N -1 1 356.350 1.271 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(-n2ccnn2)c1 ZINC000823624744 607133594 /nfs/dbraw/zinc/13/35/94/607133594.db2.gz IBAGBTQRGGYXCW-UHFFFAOYSA-N -1 1 350.302 1.494 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(-n2ccnn2)c1 ZINC000823624744 607133596 /nfs/dbraw/zinc/13/35/96/607133596.db2.gz IBAGBTQRGGYXCW-UHFFFAOYSA-N -1 1 350.302 1.494 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nncn1-c1ccccc1 ZINC000823625130 607168458 /nfs/dbraw/zinc/16/84/58/607168458.db2.gz PXXCBHMKQDQDRA-UHFFFAOYSA-N -1 1 364.329 1.363 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nncn1-c1ccccc1 ZINC000823625130 607168459 /nfs/dbraw/zinc/16/84/59/607168459.db2.gz PXXCBHMKQDQDRA-UHFFFAOYSA-N -1 1 364.329 1.363 20 5 FDBDMM CN(C(=O)COc1cccc(F)c1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000825820738 607865176 /nfs/dbraw/zinc/86/51/76/607865176.db2.gz QSHNHDSCNWPODQ-UHFFFAOYSA-N -1 1 372.316 1.956 20 5 FDBDMM CN(C(=O)COc1cccc(F)c1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000825820738 607865177 /nfs/dbraw/zinc/86/51/77/607865177.db2.gz QSHNHDSCNWPODQ-UHFFFAOYSA-N -1 1 372.316 1.956 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000826497433 608016553 /nfs/dbraw/zinc/01/65/53/608016553.db2.gz HEKIPIYDPVZKJQ-ZDUSSCGKSA-N -1 1 369.341 1.453 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000826497433 608016554 /nfs/dbraw/zinc/01/65/54/608016554.db2.gz HEKIPIYDPVZKJQ-ZDUSSCGKSA-N -1 1 369.341 1.453 20 5 FDBDMM Cc1cc(C)c([N+](=O)[O-])c(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826263620 609383277 /nfs/dbraw/zinc/38/32/77/609383277.db2.gz KARONCUCQFUWCR-UHFFFAOYSA-N -1 1 372.393 1.161 20 5 FDBDMM Cc1cc(C)c([N+](=O)[O-])c(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826263620 609383279 /nfs/dbraw/zinc/38/32/79/609383279.db2.gz KARONCUCQFUWCR-UHFFFAOYSA-N -1 1 372.393 1.161 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(F)nc2)c1-c1nn[n-]n1 ZINC000826500373 609398553 /nfs/dbraw/zinc/39/85/53/609398553.db2.gz WGJFXYLKWVULLP-UHFFFAOYSA-N -1 1 366.290 1.077 20 5 FDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1(CO)CC1 ZINC000154745598 671927346 /nfs/dbraw/zinc/92/73/46/671927346.db2.gz LTFGKWYTIPVEFP-UHFFFAOYSA-N -1 1 365.205 1.408 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](O)c1cccc(F)c1 ZINC000160056480 671998649 /nfs/dbraw/zinc/99/86/49/671998649.db2.gz WLTBXPZBIOGFES-GFCCVEGCSA-N -1 1 358.322 1.885 20 5 FDBDMM Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000181513999 672197589 /nfs/dbraw/zinc/19/75/89/672197589.db2.gz NILYJIYCYRLCQQ-UHFFFAOYSA-N -1 1 370.406 1.995 20 5 FDBDMM COc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1[N+](=O)[O-] ZINC000267423087 673302367 /nfs/dbraw/zinc/30/23/67/673302367.db2.gz ZSTNGOJDHKSIBV-UHFFFAOYSA-N -1 1 366.399 1.861 20 5 FDBDMM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000289487256 676143914 /nfs/dbraw/zinc/14/39/14/676143914.db2.gz JKMJOCXEDLGPMD-SNVBAGLBSA-N -1 1 370.387 1.942 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)[C@@H]1CCCOC1 ZINC000416620491 679694828 /nfs/dbraw/zinc/69/48/28/679694828.db2.gz YKMVAEYTGCCSLK-MWLCHTKSSA-N -1 1 364.807 1.314 20 5 FDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)cc1Cl ZINC000377834700 678622037 /nfs/dbraw/zinc/62/20/37/678622037.db2.gz NLMKRUDNFXLCHD-CGYDSVCVSA-N -1 1 350.755 1.986 20 5 FDBDMM COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)c1F ZINC000413688201 679290591 /nfs/dbraw/zinc/29/05/91/679290591.db2.gz NZPAYODFWMCQBI-QMMMGPOBSA-N -1 1 352.326 1.060 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)CCCc2cccnc2)c([N+](=O)[O-])n1 ZINC000416535992 679649742 /nfs/dbraw/zinc/64/97/42/679649742.db2.gz KVVSXNGWBBVGHM-LBPRGKRZSA-N -1 1 367.431 1.896 20 5 FDBDMM C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000474318395 685390024 /nfs/dbraw/zinc/39/00/24/685390024.db2.gz YZJWMUMIIZATHM-QMMMGPOBSA-N -1 1 370.836 1.350 20 5 FDBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000433451936 681189340 /nfs/dbraw/zinc/18/93/40/681189340.db2.gz SQTYXMKKBSAABQ-ZYHUDNBSSA-N -1 1 364.807 1.721 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCC(F)(F)C(F)F)s1 ZINC000434760046 681522847 /nfs/dbraw/zinc/52/28/47/681522847.db2.gz QICMJSFIXREIAV-UHFFFAOYSA-N -1 1 366.314 1.852 20 5 FDBDMM CCc1nc(CC[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])sc1C ZINC000435806329 681637413 /nfs/dbraw/zinc/63/74/13/681637413.db2.gz FJNDWBWFWCORKM-UHFFFAOYSA-N -1 1 373.460 1.660 20 5 FDBDMM CCOC(=O)Cc1nnc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])s1 ZINC000435917883 681647094 /nfs/dbraw/zinc/64/70/94/681647094.db2.gz OJOJHKVHODXAAI-UHFFFAOYSA-N -1 1 366.355 1.813 20 5 FDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nncn1C1CC1 ZINC000439205431 681912340 /nfs/dbraw/zinc/91/23/40/681912340.db2.gz NBVLXZZRAYEIGQ-UHFFFAOYSA-N -1 1 357.779 1.653 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000445748334 682466070 /nfs/dbraw/zinc/46/60/70/682466070.db2.gz KJKHCCILGHNTSQ-CQSZACIVSA-N -1 1 360.436 1.421 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CSc3ccccc32)c([N+](=O)[O-])n1 ZINC000451611498 682905921 /nfs/dbraw/zinc/90/59/21/682905921.db2.gz IKZJIHHEUFWQSP-SNVBAGLBSA-N -1 1 368.440 1.979 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])n1 ZINC000466585323 684818771 /nfs/dbraw/zinc/81/87/71/684818771.db2.gz NLTMAULPLGHGQM-TZMCWYRMSA-N -1 1 358.420 1.295 20 5 FDBDMM NC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471113059 685110319 /nfs/dbraw/zinc/11/03/19/685110319.db2.gz NGPVMLZLVFEAGC-UHFFFAOYSA-N -1 1 365.323 1.193 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccnc2ccnn21 ZINC000479976549 686072343 /nfs/dbraw/zinc/07/23/43/686072343.db2.gz FXPUSRJRSORQCF-UHFFFAOYSA-N -1 1 367.774 1.769 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c([N+](=O)[O-])n1 ZINC000499265226 687928119 /nfs/dbraw/zinc/92/81/19/687928119.db2.gz JKHBPQGNBXMQQQ-UHFFFAOYSA-N -1 1 350.360 1.797 20 5 FDBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(O)cc(F)c2)c1 ZINC000504259615 688423651 /nfs/dbraw/zinc/42/36/51/688423651.db2.gz JTBKHVGFMGKAPO-UHFFFAOYSA-N -1 1 356.287 1.939 20 5 FDBDMM CC(C)C[C@H](N)c1noc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000516650392 689976871 /nfs/dbraw/zinc/97/68/71/689976871.db2.gz UXOWWQAMPFUMPG-JTQLQIEISA-N -1 1 369.403 1.502 20 5 FDBDMM Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525972746 694640947 /nfs/dbraw/zinc/64/09/47/694640947.db2.gz UKBCZOYDSWUHSL-ZDUSSCGKSA-N -1 1 351.384 1.180 20 5 FDBDMM O=c1cc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc2[nH]1 ZINC000531013020 694816176 /nfs/dbraw/zinc/81/61/76/694816176.db2.gz YIDMAZYIASJQOQ-UHFFFAOYSA-N -1 1 360.351 1.722 20 5 FDBDMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588441265 779182575 /nfs/dbraw/zinc/18/25/75/779182575.db2.gz YUOGUNWWENMGSF-LUAWRHEFSA-N -1 1 358.354 1.969 20 5 FDBDMM Cn1cc([C@@H]2[C@@H](CNC(=O)c3cccc([N+](=O)[O-])c3[O-])CCCN2C)cn1 ZINC000363917083 794563815 /nfs/dbraw/zinc/56/38/15/794563815.db2.gz GJDIIRYVOWNGGT-WBMJQRKESA-N -1 1 373.413 1.847 20 5 FDBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ncc([N+](=O)[O-])cn3)c2)n1 ZINC000432925615 809943503 /nfs/dbraw/zinc/94/35/03/809943503.db2.gz AHTUHFVDTLIBPD-UHFFFAOYSA-N -1 1 369.341 1.959 20 5 FDBDMM O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444979266 828228765 /nfs/dbraw/zinc/22/87/65/828228765.db2.gz YMOXAWMHSGSNMB-DGCLKSJQSA-N -1 1 367.308 1.663 20 5 FDBDMM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445131339 828258930 /nfs/dbraw/zinc/25/89/30/828258930.db2.gz DFZWDSYYFGHUPP-UHFFFAOYSA-N -1 1 370.321 1.064 20 5 FDBDMM O=C(NCCNc1nccc(C(F)(F)F)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485417058 852216749 /nfs/dbraw/zinc/21/67/49/852216749.db2.gz MELPKCNMMWMPCH-UHFFFAOYSA-N -1 1 372.263 1.346 20 5 FDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1CSC1 ZINC000700485262 882601762 /nfs/dbraw/zinc/60/17/62/882601762.db2.gz FBSKFCNNPVFIAU-UHFFFAOYSA-N -1 1 367.246 1.999 20 5 FDBDMM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000761955365 874882592 /nfs/dbraw/zinc/88/25/92/874882592.db2.gz FHBRXWCMESYYJA-MRVPVSSYSA-N -1 1 370.836 1.350 20 5 FDBDMM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000762632454 876276267 /nfs/dbraw/zinc/27/62/67/876276267.db2.gz QRNHYMYDZNSGAL-AAEUAGOBSA-N -1 1 351.384 1.780 20 5 FDBDMM CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000728060962 912275365 /nfs/dbraw/zinc/27/53/65/912275365.db2.gz YTDWLZDCEMNXRW-UHFFFAOYSA-N -1 1 363.823 1.831 20 5 FDBDMM COc1cc(OC)c(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(OC)c1 ZINC000918105866 884081559 /nfs/dbraw/zinc/08/15/59/884081559.db2.gz KMKYURIBYMNBMO-UHFFFAOYSA-N -1 1 363.326 1.651 20 5 FDBDMM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000828059856 893480639 /nfs/dbraw/zinc/48/06/39/893480639.db2.gz VVCSCNMQQAZPFQ-PSASIEDQSA-N -1 1 371.198 1.594 20 5 FDBDMM C/C=C/C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OCC ZINC000765944614 899025180 /nfs/dbraw/zinc/02/51/80/899025180.db2.gz DFXLLJPYZFFZQR-TZNOJPMFSA-N -1 1 360.363 1.910 20 5 FDBDMM Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000765110527 906396325 /nfs/dbraw/zinc/39/63/25/906396325.db2.gz UWPDBWXBEKAJOS-VIFPVBQESA-N -1 1 361.318 1.344 20 5 FDBDMM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000734501967 923391892 /nfs/dbraw/zinc/39/18/92/923391892.db2.gz YCFFWSQXXUVUEC-UHFFFAOYSA-N -1 1 350.780 1.868 20 5 FDBDMM Cc1nn(Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)c(-c2nn[n-]n2)c1C ZINC000737524239 926668971 /nfs/dbraw/zinc/66/89/71/926668971.db2.gz VRKIIECSMDIZBZ-UHFFFAOYSA-N -1 1 361.749 1.650 20 5 FDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nnnn1CC1CC1 ZINC000770277721 929941493 /nfs/dbraw/zinc/94/14/93/929941493.db2.gz ZCNJWUOJZXZNOQ-UHFFFAOYSA-N -1 1 372.794 1.123 20 5 FDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000770628968 930163183 /nfs/dbraw/zinc/16/31/83/930163183.db2.gz IPPOHOQKMLRKFV-AAEUAGOBSA-N -1 1 363.326 1.253 20 5 FDBDMM CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000770745047 930246244 /nfs/dbraw/zinc/24/62/44/930246244.db2.gz YGNBRYMFRXKLDQ-WDEREUQCSA-N -1 1 366.374 1.682 20 5 FDBDMM CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000770745041 930246503 /nfs/dbraw/zinc/24/65/03/930246503.db2.gz YGNBRYMFRXKLDQ-GHMZBOCLSA-N -1 1 366.374 1.682 20 5 FDBDMM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000788682538 932774700 /nfs/dbraw/zinc/77/47/00/932774700.db2.gz RPWNDJBTVNKYRZ-UHFFFAOYSA-N -1 1 356.385 1.488 20 5 FDBDMM O=C1NCCc2c(F)c([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)ccc21 ZINC000790073104 933332221 /nfs/dbraw/zinc/33/22/21/933332221.db2.gz CCSZQYKOOUCYHG-UHFFFAOYSA-N -1 1 371.371 1.882 20 5 FDBDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC000790441101 933554118 /nfs/dbraw/zinc/55/41/18/933554118.db2.gz XKAWUQXXKLNPAA-UHFFFAOYSA-N -1 1 358.351 1.947 20 5 FDBDMM O=C(COC(=O)c1cn[n-]n1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000805607417 938780680 /nfs/dbraw/zinc/78/06/80/938780680.db2.gz WQDCZPKUGHDEHQ-UHFFFAOYSA-N -1 1 359.220 1.527 20 5 FDBDMM CC(=O)Nc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819817751 945295830 /nfs/dbraw/zinc/29/58/30/945295830.db2.gz LFQDTVRHKKPURE-UHFFFAOYSA-N -1 1 354.330 1.740 20 5 FDBDMM CC(=O)Nc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819817751 945295833 /nfs/dbraw/zinc/29/58/33/945295833.db2.gz LFQDTVRHKKPURE-UHFFFAOYSA-N -1 1 354.330 1.740 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2ccccc2)c([N+](=O)[O-])n1 ZINC000808341723 940540463 /nfs/dbraw/zinc/54/04/63/940540463.db2.gz YCLCTMABLZYASW-ZWNOBZJWSA-N -1 1 354.388 1.212 20 5 FDBDMM CN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809810508 940899885 /nfs/dbraw/zinc/89/98/85/940899885.db2.gz AXMABELEYVUUNT-MRVPVSSYSA-N -1 1 351.787 1.760 20 5 FDBDMM COCCOC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809821130 940909422 /nfs/dbraw/zinc/90/94/22/940909422.db2.gz IFROWQNDKMZVPD-MRVPVSSYSA-N -1 1 370.786 1.717 20 5 FDBDMM COC(=O)N1CC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809827077 940911201 /nfs/dbraw/zinc/91/12/01/940911201.db2.gz AQFPEOHOAUYGRR-UHFFFAOYSA-N -1 1 367.742 1.116 20 5 FDBDMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000747620855 941029268 /nfs/dbraw/zinc/02/92/68/941029268.db2.gz JHHOFINHWJBKCN-UHFFFAOYSA-N -1 1 353.360 1.316 20 5 FDBDMM Cn1c(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000810900327 941073178 /nfs/dbraw/zinc/07/31/78/941073178.db2.gz FKNMNKVQOSDMHC-VIFPVBQESA-N -1 1 362.308 1.464 20 5 FDBDMM O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCO[C@H](c2nn[n-]n2)C1 ZINC000813444178 941382822 /nfs/dbraw/zinc/38/28/22/941382822.db2.gz BKHBZDFSXGNASF-VIFPVBQESA-N -1 1 373.156 1.628 20 5 FDBDMM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024757 941753299 /nfs/dbraw/zinc/75/32/99/941753299.db2.gz MCUKEDMPSYKNPC-ZCFIWIBFSA-N -1 1 354.743 1.475 20 5 FDBDMM O=C(NCc1cnc(Br)cn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000816530794 942244057 /nfs/dbraw/zinc/24/40/57/942244057.db2.gz UZHHBEFKQQYIQX-UHFFFAOYSA-N 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O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1COc2ccccc2C1 ZINC000823625107 607165665 /nfs/dbraw/zinc/16/56/65/607165665.db2.gz PDNDUBNUSZCEIZ-SNVBAGLBSA-N -1 1 353.342 1.833 20 5 FDBDMM CNC(=O)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821635144 607167198 /nfs/dbraw/zinc/16/71/98/607167198.db2.gz OBHMTQHKPPULLU-UHFFFAOYSA-N -1 1 354.330 1.142 20 5 FDBDMM CNC(=O)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821635144 607167200 /nfs/dbraw/zinc/16/72/00/607167200.db2.gz OBHMTQHKPPULLU-UHFFFAOYSA-N -1 1 354.330 1.142 20 5 FDBDMM CCc1n[nH]c(=O)c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1CC ZINC000821505430 607174662 /nfs/dbraw/zinc/17/46/62/607174662.db2.gz QALUHFKMLISOAQ-UHFFFAOYSA-N -1 1 371.361 1.402 20 5 FDBDMM CCc1n[nH]c(=O)c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1CC ZINC000821505430 607174663 /nfs/dbraw/zinc/17/46/63/607174663.db2.gz QALUHFKMLISOAQ-UHFFFAOYSA-N -1 1 371.361 1.402 20 5 FDBDMM Cn1cnnc1C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000826365782 607839833 /nfs/dbraw/zinc/83/98/33/607839833.db2.gz CUSCCQGXHBVRNV-UHFFFAOYSA-N -1 1 355.362 1.287 20 5 FDBDMM CC1(C2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)OCCO1 ZINC000824817195 607842835 /nfs/dbraw/zinc/84/28/35/607842835.db2.gz MAXKDHPRLNFQNZ-UHFFFAOYSA-N -1 1 360.374 1.754 20 5 FDBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC[C@@H]1C ZINC000824961484 608342212 /nfs/dbraw/zinc/34/22/12/608342212.db2.gz CUFKQQCFFQVYPF-UWVGGRQHSA-N -1 1 366.403 1.442 20 5 FDBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000824999194 608380532 /nfs/dbraw/zinc/38/05/32/608380532.db2.gz DLJAGITWOPERNJ-LLVKDONJSA-N -1 1 367.373 1.280 20 5 FDBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000824999194 608380534 /nfs/dbraw/zinc/38/05/34/608380534.db2.gz DLJAGITWOPERNJ-LLVKDONJSA-N -1 1 367.373 1.280 20 5 FDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000826356832 609326483 /nfs/dbraw/zinc/32/64/83/609326483.db2.gz HVJHMUWIXPCZBT-UHFFFAOYSA-N -1 1 364.272 1.239 20 5 FDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000826356832 609326486 /nfs/dbraw/zinc/32/64/86/609326486.db2.gz HVJHMUWIXPCZBT-UHFFFAOYSA-N -1 1 364.272 1.239 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000119374532 671673891 /nfs/dbraw/zinc/67/38/91/671673891.db2.gz MCSMSTGRPBSTRL-QMMMGPOBSA-N -1 1 353.385 1.739 20 5 FDBDMM CCc1cc(=O)[n-]c(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000195058729 672393994 /nfs/dbraw/zinc/39/39/94/672393994.db2.gz ZCNPHTPFXKMIAZ-UHFFFAOYSA-N -1 1 360.395 1.922 20 5 FDBDMM CCc1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000289466704 676140652 /nfs/dbraw/zinc/14/06/52/676140652.db2.gz HNTVMXLOSDYONY-UHFFFAOYSA-N -1 1 358.401 1.496 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CCC2(CC1)OCCO2 ZINC000298979515 676508851 /nfs/dbraw/zinc/50/88/51/676508851.db2.gz JEUZCIAHHPCHIA-UHFFFAOYSA-N -1 1 360.363 1.698 20 5 FDBDMM Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000363032591 676930963 /nfs/dbraw/zinc/93/09/63/676930963.db2.gz RIRAQJKVJAHTOO-JTQLQIEISA-N -1 1 354.413 1.591 20 5 FDBDMM COc1ccnc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000425188264 680880433 /nfs/dbraw/zinc/88/04/33/680880433.db2.gz XLSOJNFQQGFIER-UHFFFAOYSA-N -1 1 352.372 1.489 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])n1 ZINC000427635686 680980586 /nfs/dbraw/zinc/98/05/86/680980586.db2.gz GCUPOBJNDRQAFC-UHFFFAOYSA-N -1 1 350.360 1.797 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)c([N+](=O)[O-])n1 ZINC000443414289 682294327 /nfs/dbraw/zinc/29/43/27/682294327.db2.gz BZFXOHBPEXMVCR-UHFFFAOYSA-N -1 1 367.431 1.982 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)c([N+](=O)[O-])n1 ZINC000443413881 682294560 /nfs/dbraw/zinc/29/45/60/682294560.db2.gz DGISSIPQPBVYDV-UHFFFAOYSA-N -1 1 356.408 1.924 20 5 FDBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)c1C ZINC000461107697 684562761 /nfs/dbraw/zinc/56/27/61/684562761.db2.gz LGSLVQAFXUPUMU-UHFFFAOYSA-N -1 1 361.383 1.668 20 5 FDBDMM COC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(F)(F)F ZINC000479165908 686001444 /nfs/dbraw/zinc/00/14/44/686001444.db2.gz YFQLJRNGWKJEPL-LLVKDONJSA-N -1 1 372.321 1.849 20 5 FDBDMM CCOC(=O)c1csc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000484844816 686647133 /nfs/dbraw/zinc/64/71/33/686647133.db2.gz QTZYOTYYTSJCCU-UHFFFAOYSA-N -1 1 352.328 1.259 20 5 FDBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@]1(C(F)(F)F)CCOC1 ZINC000508109965 688709737 /nfs/dbraw/zinc/70/97/37/688709737.db2.gz NMQPBRKKEMGGON-LLVKDONJSA-N -1 1 370.305 1.603 20 5 FDBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1[N+](=O)[O-] ZINC000521104194 690385293 /nfs/dbraw/zinc/38/52/93/690385293.db2.gz BKJCSABTMPICPO-UHFFFAOYSA-N -1 1 368.367 1.775 20 5 FDBDMM Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525186703 694594769 /nfs/dbraw/zinc/59/47/69/694594769.db2.gz NASZRULHOHBSLC-UHFFFAOYSA-N -1 1 351.384 1.964 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCOc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000532853569 694892058 /nfs/dbraw/zinc/89/20/58/694892058.db2.gz IRYADRPDMOBRIA-UHFFFAOYSA-N -1 1 358.351 1.308 20 5 FDBDMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)n1 ZINC000277807731 783393327 /nfs/dbraw/zinc/39/33/27/783393327.db2.gz UNVONGDTRZUGPD-UHFFFAOYSA-N -1 1 362.346 1.238 20 5 FDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000365778114 793933674 /nfs/dbraw/zinc/93/36/74/793933674.db2.gz FYWRDCBKHAYOJW-MFKMUULPSA-N -1 1 360.370 1.311 20 5 FDBDMM COc1ccc(C(=O)[N-]C(=O)CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026347845 800518337 /nfs/dbraw/zinc/51/83/37/800518337.db2.gz PPKVOUYBOMJDRD-UHFFFAOYSA-N -1 1 357.366 1.992 20 5 FDBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ccc([N+](=O)[O-])cn3)c2)n1 ZINC000432938934 809957253 /nfs/dbraw/zinc/95/72/53/809957253.db2.gz QLABSCSTAJCDLO-UHFFFAOYSA-N -1 1 368.353 2.564 20 5 FDBDMM COC(=O)c1cn(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)nn1 ZINC000505484593 815713843 /nfs/dbraw/zinc/71/38/43/815713843.db2.gz SOYDDXYPDOJYTP-UHFFFAOYSA-N -1 1 356.298 1.543 20 5 FDBDMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293821973 818464470 /nfs/dbraw/zinc/46/44/70/818464470.db2.gz ZNMLNKMSRIZNAP-PHIMTYICSA-N -1 1 364.402 1.803 20 5 FDBDMM O=C(NCc1cccc(C(=O)NC2CC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444852841 828206387 /nfs/dbraw/zinc/20/63/87/828206387.db2.gz UHHWDXKMVZMGBV-UHFFFAOYSA-N -1 1 356.338 1.518 20 5 FDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nnnn1-c1ccccc1 ZINC000445003081 828233602 /nfs/dbraw/zinc/23/36/02/828233602.db2.gz CXYGBCQZWBBQSU-SECBINFHSA-N -1 1 355.314 1.162 20 5 FDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2COCO2)c1Cl ZINC001212107919 841047922 /nfs/dbraw/zinc/04/79/22/841047922.db2.gz NDPQUZVYXKYBOK-ZCFIWIBFSA-N -1 1 357.171 1.553 20 5 FDBDMM Cc1c([N+](=O)[O-])cc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1[N+](=O)[O-] ZINC000843801873 845588450 /nfs/dbraw/zinc/58/84/50/845588450.db2.gz YDUFCGLTZQASGO-UHFFFAOYSA-N -1 1 361.318 1.524 20 5 FDBDMM COc1cccc(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000484068037 850331690 /nfs/dbraw/zinc/33/16/90/850331690.db2.gz IXYZLMPQNQGFNT-UHFFFAOYSA-N -1 1 358.354 1.666 20 5 FDBDMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000761056045 863971730 /nfs/dbraw/zinc/97/17/30/863971730.db2.gz QPUOVCKWVMLZKT-UHFFFAOYSA-N -1 1 361.310 1.055 20 5 FDBDMM O=C(CNC(=O)c1ncccc1[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000491920190 869596895 /nfs/dbraw/zinc/59/68/95/869596895.db2.gz HCTKERSVGZHYAE-UHFFFAOYSA-N -1 1 370.365 1.616 20 5 FDBDMM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000762632457 876276491 /nfs/dbraw/zinc/27/64/91/876276491.db2.gz QRNHYMYDZNSGAL-WCQYABFASA-N -1 1 351.384 1.780 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cn2ccccc2n1 ZINC000918191123 884212508 /nfs/dbraw/zinc/21/25/08/884212508.db2.gz JQYCCDYSEVAMHE-UHFFFAOYSA-N -1 1 350.331 1.860 20 5 FDBDMM Cn1[n-]c(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)nc1=O ZINC000765387878 906972123 /nfs/dbraw/zinc/97/21/23/906972123.db2.gz YRKVXGROMZLHNA-UHFFFAOYSA-N -1 1 357.120 1.136 20 5 FDBDMM COc1ccc(CC(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000727888725 911426067 /nfs/dbraw/zinc/42/60/67/911426067.db2.gz XMXKZTVZSFXKIK-UHFFFAOYSA-N -1 1 372.333 1.646 20 5 FDBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000790405158 933522956 /nfs/dbraw/zinc/52/29/56/933522956.db2.gz VKHRDRLZGFDWLG-UHFFFAOYSA-N -1 1 354.300 1.713 20 5 FDBDMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC000794123746 938363918 /nfs/dbraw/zinc/36/39/18/938363918.db2.gz KXKMALNADAYAPA-UHFFFAOYSA-N -1 1 366.355 1.043 20 5 FDBDMM CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000807232125 940278783 /nfs/dbraw/zinc/27/87/83/940278783.db2.gz YEWGNFUUGGIGEP-PLNGDYQASA-N -1 1 352.347 1.506 20 5 FDBDMM CC1(C)[C@H](O)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809833636 940903581 /nfs/dbraw/zinc/90/35/81/940903581.db2.gz LHVHRFMNOREGFF-GHMZBOCLSA-N -1 1 352.771 1.825 20 5 FDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CCO)C1CC1 ZINC000815020465 941755592 /nfs/dbraw/zinc/75/55/92/941755592.db2.gz ZAMCRABHUISUSQ-SNVBAGLBSA-N -1 1 352.771 1.827 20 5 FDBDMM O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000815519234 941894206 /nfs/dbraw/zinc/89/42/06/941894206.db2.gz PPFNFZHYKOKJMT-JTQLQIEISA-N -1 1 372.263 1.340 20 5 FDBDMM NC(=O)c1cccc([N+](=O)[O-])c1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000817117326 942557368 /nfs/dbraw/zinc/55/73/68/942557368.db2.gz BTQYJPVLQINJPE-UHFFFAOYSA-N -1 1 374.319 1.589 20 5 FDBDMM O=C([O-])Cc1ccc(N2CCC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000844218780 947846382 /nfs/dbraw/zinc/84/63/82/947846382.db2.gz QDIPGDSVGKZNJV-HNNXBMFYSA-N -1 1 363.414 1.771 20 5 FDBDMM 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1013708346 /nfs/dbraw/zinc/70/83/46/1013708346.db2.gz IUZGIMAOHJVZGA-UHFFFAOYSA-N -1 1 350.331 1.860 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000867613760 976510680 /nfs/dbraw/zinc/51/06/80/976510680.db2.gz PKJRYHAPORDDSU-LGTSKVTRSA-N -1 1 358.803 1.950 20 5 FDBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000849415191 977537650 /nfs/dbraw/zinc/53/76/50/977537650.db2.gz YKCZRXMNHODNHJ-SKDRFNHKSA-N -1 1 364.807 1.578 20 5 FDBDMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000851328861 978892361 /nfs/dbraw/zinc/89/23/61/978892361.db2.gz SNQKDUPHYRHIAS-UHFFFAOYSA-N -1 1 358.420 1.307 20 5 FDBDMM COc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000832162478 979040588 /nfs/dbraw/zinc/04/05/88/979040588.db2.gz NFKOPIPLTITCJM-NSHDSACASA-N -1 1 351.359 1.224 20 5 FDBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000859054865 982487529 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Cc1noc(C2CCC(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)n1 ZINC000822527725 606718861 /nfs/dbraw/zinc/71/88/61/606718861.db2.gz BFQCQBLXJLAGGV-UHFFFAOYSA-N -1 1 371.361 2.000 20 5 FDBDMM C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820659186 606734313 /nfs/dbraw/zinc/73/43/13/606734313.db2.gz XDMGWJVOSHQHOC-BDAKNGLRSA-N -1 1 352.376 1.194 20 5 FDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(CCC3)C2)c1-c1nn[n-]n1 ZINC000823647230 606737598 /nfs/dbraw/zinc/73/75/98/606737598.db2.gz IGUJRYJPJOPWAT-UHFFFAOYSA-N -1 1 364.387 1.340 20 5 FDBDMM Cc1nc2ccccc2n1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822461894 607165102 /nfs/dbraw/zinc/16/51/02/607165102.db2.gz BBQBHIDBTYURPD-UHFFFAOYSA-N -1 1 365.357 1.940 20 5 FDBDMM Cc1nc2ccccc2n1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822461894 607165104 /nfs/dbraw/zinc/16/51/04/607165104.db2.gz BBQBHIDBTYURPD-UHFFFAOYSA-N -1 1 365.357 1.940 20 5 FDBDMM C[C@H](N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1)C(F)(F)F ZINC000824465690 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ZINC000739536670 600280073 /nfs/dbraw/zinc/28/00/73/600280073.db2.gz OGITUEPWEFNDDZ-CQSZACIVSA-N -1 1 357.370 1.998 20 5 FDBDMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000828495324 601376511 /nfs/dbraw/zinc/37/65/11/601376511.db2.gz VUWSMHOHTZTGEY-CYBMUJFWSA-N -1 1 359.386 1.700 20 5 FDBDMM COc1ccc(NC(=O)CCN2CC[C@](F)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000832393790 601555244 /nfs/dbraw/zinc/55/52/44/601555244.db2.gz IONDFVMFZRVKJK-OAHLLOKOSA-N -1 1 355.322 1.431 20 5 FDBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C ZINC000824649063 607566486 /nfs/dbraw/zinc/56/64/86/607566486.db2.gz KZZAWBCNNIHRCX-QWRGUYRKSA-N -1 1 359.390 1.976 20 5 FDBDMM CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000739359424 602546407 /nfs/dbraw/zinc/54/64/07/602546407.db2.gz LTIAXXPTNAJWGO-CYBMUJFWSA-N -1 1 350.375 1.658 20 5 FDBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCCC1 ZINC000824640350 607614605 /nfs/dbraw/zinc/61/46/05/607614605.db2.gz GXWZUTDWXLZMRR-SECBINFHSA-N -1 1 366.403 1.632 20 5 FDBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000830137982 603992511 /nfs/dbraw/zinc/99/25/11/603992511.db2.gz IXZYHKUMOOKNMZ-UHFFFAOYSA-N -1 1 350.375 1.916 20 5 FDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000833627674 605053795 /nfs/dbraw/zinc/05/37/95/605053795.db2.gz YPGGXMCCBKYPHD-CYBMUJFWSA-N -1 1 364.402 1.328 20 5 FDBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000833626694 605109724 /nfs/dbraw/zinc/10/97/24/605109724.db2.gz RJIYDDOVPVUKCV-NSHDSACASA-N -1 1 360.370 1.697 20 5 FDBDMM O=C([O-])NC[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000834218558 605350411 /nfs/dbraw/zinc/35/04/11/605350411.db2.gz IDQCBNXJEZZKBY-OLZOCXBDSA-N -1 1 353.375 1.457 20 5 FDBDMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000834093657 605986240 /nfs/dbraw/zinc/98/62/40/605986240.db2.gz AKMDYXQFGZYWMO-KOLCDFICSA-N -1 1 359.342 1.828 20 5 FDBDMM O=[N+]([O-])c1cc(N2CCN(c3ccccc3O)CC2)ccc1-c1nn[n-]n1 ZINC000823635337 606644646 /nfs/dbraw/zinc/64/46/46/606644646.db2.gz WAJZYGAYQDLWQG-UHFFFAOYSA-N -1 1 367.369 1.807 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](CO)Cc1ccccc1 ZINC000823620047 606698846 /nfs/dbraw/zinc/69/88/46/606698846.db2.gz HISWLVJJJCRESN-LBPRGKRZSA-N -1 1 355.358 1.433 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](CO)Cc1ccccc1 ZINC000823620047 606698848 /nfs/dbraw/zinc/69/88/48/606698848.db2.gz HISWLVJJJCRESN-LBPRGKRZSA-N -1 1 355.358 1.433 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC000823619735 606700043 /nfs/dbraw/zinc/70/00/43/606700043.db2.gz AAISVRBAAPFPAI-QMMMGPOBSA-N -1 1 373.295 1.718 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC000823619735 606700045 /nfs/dbraw/zinc/70/00/45/606700045.db2.gz AAISVRBAAPFPAI-QMMMGPOBSA-N -1 1 373.295 1.718 20 5 FDBDMM CN1C(=O)CCc2cc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc21 ZINC000821620916 606708039 /nfs/dbraw/zinc/70/80/39/606708039.db2.gz ZPKYEEVDIWAHGO-UHFFFAOYSA-N -1 1 366.341 1.823 20 5 FDBDMM CN1C(=O)CCc2cc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc21 ZINC000821620916 606708041 /nfs/dbraw/zinc/70/80/41/606708041.db2.gz ZPKYEEVDIWAHGO-UHFFFAOYSA-N -1 1 366.341 1.823 20 5 FDBDMM Cc1cc([C@@](C)(O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)o1 ZINC000822190991 606712235 /nfs/dbraw/zinc/71/22/35/606712235.db2.gz DHQZSZOZEMDPFX-HNNXBMFYSA-N -1 1 359.346 1.699 20 5 FDBDMM Cc1cc([C@@](C)(O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)o1 ZINC000822190991 606712236 /nfs/dbraw/zinc/71/22/36/606712236.db2.gz DHQZSZOZEMDPFX-HNNXBMFYSA-N -1 1 359.346 1.699 20 5 FDBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823123413 607103346 /nfs/dbraw/zinc/10/33/46/607103346.db2.gz YMNSFIBCSSTDTD-UHFFFAOYSA-N -1 1 370.354 1.825 20 5 FDBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823123413 607103347 /nfs/dbraw/zinc/10/33/47/607103347.db2.gz YMNSFIBCSSTDTD-UHFFFAOYSA-N -1 1 370.354 1.825 20 5 FDBDMM COc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc(OC)c1OC ZINC000821723516 607161541 /nfs/dbraw/zinc/16/15/41/607161541.db2.gz CIYDEHIXZGSNKR-UHFFFAOYSA-N -1 1 373.329 1.939 20 5 FDBDMM COc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc(OC)c1OC ZINC000821723516 607161543 /nfs/dbraw/zinc/16/15/43/607161543.db2.gz CIYDEHIXZGSNKR-UHFFFAOYSA-N -1 1 373.329 1.939 20 5 FDBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@]12CCCO2 ZINC000273610244 674553964 /nfs/dbraw/zinc/55/39/64/674553964.db2.gz OJLARPNHAMSNTQ-UMVBOHGHSA-N -1 1 374.390 1.739 20 5 FDBDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826472364 607834497 /nfs/dbraw/zinc/83/44/97/607834497.db2.gz IOGARNZZURHNET-UHFFFAOYSA-N -1 1 351.326 1.763 20 5 FDBDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826472364 607834498 /nfs/dbraw/zinc/83/44/98/607834498.db2.gz IOGARNZZURHNET-UHFFFAOYSA-N -1 1 351.326 1.763 20 5 FDBDMM Cc1cnn(C[C@H]2CN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CCO2)c1 ZINC000826320311 607842225 /nfs/dbraw/zinc/84/22/25/607842225.db2.gz MHTVYYIVIIDNAV-CYBMUJFWSA-N -1 1 370.373 1.185 20 5 FDBDMM CC1=CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000824857464 607906105 /nfs/dbraw/zinc/90/61/05/607906105.db2.gz CDDAVTKAANFLOY-UHFFFAOYSA-N -1 1 350.360 1.116 20 5 FDBDMM CC(=O)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nc1C ZINC000824024728 608405606 /nfs/dbraw/zinc/40/56/06/608405606.db2.gz MXQPMAANQJXUMS-UHFFFAOYSA-N -1 1 354.330 1.688 20 5 FDBDMM CC(=O)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc1C ZINC000824024728 608405607 /nfs/dbraw/zinc/40/56/07/608405607.db2.gz MXQPMAANQJXUMS-UHFFFAOYSA-N -1 1 354.330 1.688 20 5 FDBDMM O=C(OCc1ccc(-c2nn[nH]n2)cc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000826464662 609622043 /nfs/dbraw/zinc/62/20/43/609622043.db2.gz HHNNHZHHZBAORN-UHFFFAOYSA-N -1 1 359.273 1.977 20 5 FDBDMM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289249252 676110585 /nfs/dbraw/zinc/11/05/85/676110585.db2.gz AUZKIAHUEBDYON-LURJTMIESA-N -1 1 370.214 1.705 20 5 FDBDMM COCc1nc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cs1 ZINC000290195524 676190163 /nfs/dbraw/zinc/19/01/63/676190163.db2.gz SONWWKCKUQTTHF-UHFFFAOYSA-N -1 1 357.413 1.985 20 5 FDBDMM Cc1ccnc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000293875390 676368935 /nfs/dbraw/zinc/36/89/35/676368935.db2.gz SXVZPHVSJMULKO-UHFFFAOYSA-N -1 1 365.367 1.548 20 5 FDBDMM Cn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000431735688 681133307 /nfs/dbraw/zinc/13/33/07/681133307.db2.gz KORNMWLGXAMWTG-GXFFZTMASA-N -1 1 372.428 1.588 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)c([N+](=O)[O-])n1 ZINC000435810513 681638010 /nfs/dbraw/zinc/63/80/10/681638010.db2.gz SNZMVROJZHBKDS-NSHDSACASA-N -1 1 355.420 1.449 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CSc3ccccc32)c([N+](=O)[O-])n1 ZINC000451611496 682905949 /nfs/dbraw/zinc/90/59/49/682905949.db2.gz IKZJIHHEUFWQSP-JTQLQIEISA-N -1 1 368.440 1.979 20 5 FDBDMM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(N)=O ZINC000487350748 686978196 /nfs/dbraw/zinc/97/81/96/686978196.db2.gz BBYQOEOFNVTORQ-UHFFFAOYSA-N -1 1 366.355 1.895 20 5 FDBDMM O=c1ccccn1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000500073672 688033206 /nfs/dbraw/zinc/03/32/06/688033206.db2.gz IHEKNPYTIUONAN-UHFFFAOYSA-N -1 1 357.775 1.388 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccc(C)c(OC)c2)c([N+](=O)[O-])n1 ZINC000516983216 690019620 /nfs/dbraw/zinc/01/96/20/690019620.db2.gz VCVCLELCMXKNID-UHFFFAOYSA-N -1 1 368.415 1.649 20 5 FDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccnc(N2CCCC2)c1 ZINC000525128287 694592607 /nfs/dbraw/zinc/59/26/07/694592607.db2.gz CAKOXFGYNLUBMQ-UHFFFAOYSA-N -1 1 363.399 1.464 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)c([N+](=O)[O-])n1 ZINC000532853547 694891862 /nfs/dbraw/zinc/89/18/62/694891862.db2.gz GRNYMTWVEBGWNR-UHFFFAOYSA-N -1 1 368.390 1.960 20 5 FDBDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[C@@H](C)CC ZINC000532854058 694892085 /nfs/dbraw/zinc/89/20/85/694892085.db2.gz FITDXRBPHHZBBT-GXSJLCMTSA-N -1 1 362.408 1.067 20 5 FDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)cc1F ZINC000867511191 782502318 /nfs/dbraw/zinc/50/23/18/782502318.db2.gz QHQSMMGVGDBFBQ-NSHDSACASA-N -1 1 354.306 1.745 20 5 FDBDMM CC(C)COC(=O)N1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274993659 771009608 /nfs/dbraw/zinc/00/96/08/771009608.db2.gz SFXAAFGJARCOQT-UHFFFAOYSA-N -1 1 366.374 1.636 20 5 FDBDMM COc1cccc(N2CC[C@@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000277715594 783068695 /nfs/dbraw/zinc/06/86/95/783068695.db2.gz MITKMFMWHXMOPZ-GFCCVEGCSA-N -1 1 358.354 1.713 20 5 FDBDMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000376715297 790369420 /nfs/dbraw/zinc/36/94/20/790369420.db2.gz KTYLCXWQFNHMBA-AGIUHOORSA-N -1 1 364.354 1.270 20 5 FDBDMM 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CC(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000820011688 606644740 /nfs/dbraw/zinc/64/47/40/606644740.db2.gz OIGNQSLWYMQFCT-UHFFFAOYSA-N -1 1 359.390 1.516 20 5 FDBDMM Cc1csc(N2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)n1 ZINC000822414401 606644928 /nfs/dbraw/zinc/64/49/28/606644928.db2.gz DKXWHCZBGIVRFS-UHFFFAOYSA-N -1 1 372.414 1.866 20 5 FDBDMM CCOc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821416949 606650833 /nfs/dbraw/zinc/65/08/33/606650833.db2.gz GDNNXOQCDBZYBO-UHFFFAOYSA-N -1 1 370.325 1.926 20 5 FDBDMM CCOc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821416949 606650834 /nfs/dbraw/zinc/65/08/34/606650834.db2.gz GDNNXOQCDBZYBO-UHFFFAOYSA-N -1 1 370.325 1.926 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](c2ccncn2)C1 ZINC000823621171 606700224 /nfs/dbraw/zinc/70/02/24/606700224.db2.gz XSXHFDUXTMJGSS-SNVBAGLBSA-N -1 1 353.346 1.344 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](c2ccncn2)C1 ZINC000823621171 606700226 /nfs/dbraw/zinc/70/02/26/606700226.db2.gz XSXHFDUXTMJGSS-SNVBAGLBSA-N -1 1 353.346 1.344 20 5 FDBDMM CCCOc1ncccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821138512 606702876 /nfs/dbraw/zinc/70/28/76/606702876.db2.gz AWIYNZFPIAHOTH-UHFFFAOYSA-N -1 1 356.346 1.966 20 5 FDBDMM CCCOc1ncccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821138512 606702877 /nfs/dbraw/zinc/70/28/77/606702877.db2.gz AWIYNZFPIAHOTH-UHFFFAOYSA-N -1 1 356.346 1.966 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000823621001 606707604 /nfs/dbraw/zinc/70/76/04/606707604.db2.gz VJLBWGNQXOFPFG-CYBMUJFWSA-N -1 1 371.332 1.887 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000823621001 606707605 /nfs/dbraw/zinc/70/76/05/606707605.db2.gz VJLBWGNQXOFPFG-CYBMUJFWSA-N -1 1 371.332 1.887 20 5 FDBDMM COC(=O)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000821640129 606713432 /nfs/dbraw/zinc/71/34/32/606713432.db2.gz BCQHNJAROSKXIB-LBPRGKRZSA-N -1 1 369.341 1.539 20 5 FDBDMM COC(=O)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000821640129 606713434 /nfs/dbraw/zinc/71/34/34/606713434.db2.gz BCQHNJAROSKXIB-LBPRGKRZSA-N -1 1 369.341 1.539 20 5 FDBDMM CN(CC(F)F)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821594999 606715235 /nfs/dbraw/zinc/71/52/35/606715235.db2.gz JQRCMGQVRXPIQK-UHFFFAOYSA-N -1 1 368.348 1.336 20 5 FDBDMM CN(CC(F)F)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821594999 606715237 /nfs/dbraw/zinc/71/52/37/606715237.db2.gz JQRCMGQVRXPIQK-UHFFFAOYSA-N -1 1 368.348 1.336 20 5 FDBDMM C[C@@H](N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(C)(C)C ZINC000820308149 606730565 /nfs/dbraw/zinc/73/05/65/606730565.db2.gz SEMZLGJIFJQCAV-SECBINFHSA-N -1 1 368.419 1.830 20 5 FDBDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)nc1 ZINC000826499121 607903260 /nfs/dbraw/zinc/90/32/60/607903260.db2.gz WONJYLASCOWGCP-JTQLQIEISA-N -1 1 353.346 1.256 20 5 FDBDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)nc1 ZINC000826499121 607903261 /nfs/dbraw/zinc/90/32/61/607903261.db2.gz WONJYLASCOWGCP-JTQLQIEISA-N -1 1 353.346 1.256 20 5 FDBDMM COc1ccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1O ZINC000826193150 608016333 /nfs/dbraw/zinc/01/63/33/608016333.db2.gz RGSPSPVCTLTNGP-UHFFFAOYSA-N -1 1 357.330 1.521 20 5 FDBDMM COc1ccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1O ZINC000826193150 608016334 /nfs/dbraw/zinc/01/63/34/608016334.db2.gz RGSPSPVCTLTNGP-UHFFFAOYSA-N -1 1 357.330 1.521 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1-n1ccnc1 ZINC000826497836 608383203 /nfs/dbraw/zinc/38/32/03/608383203.db2.gz WFKBVIRXBJTEIL-UHFFFAOYSA-N -1 1 363.341 1.968 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1-n1ccnc1 ZINC000826497836 608383204 /nfs/dbraw/zinc/38/32/04/608383204.db2.gz WFKBVIRXBJTEIL-UHFFFAOYSA-N -1 1 363.341 1.968 20 5 FDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000826357061 609504427 /nfs/dbraw/zinc/50/44/27/609504427.db2.gz PPUITVLEZOQBDL-UHFFFAOYSA-N -1 1 360.359 1.239 20 5 FDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000826357061 609504429 /nfs/dbraw/zinc/50/44/29/609504429.db2.gz PPUITVLEZOQBDL-UHFFFAOYSA-N -1 1 360.359 1.239 20 5 FDBDMM COCC[C@H](Cc1ccco1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826154695 609590107 /nfs/dbraw/zinc/59/01/07/609590107.db2.gz VUOITXMWGJCTQQ-SNVBAGLBSA-N -1 1 359.346 1.823 20 5 FDBDMM COCC[C@H](Cc1ccco1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826154695 609590108 /nfs/dbraw/zinc/59/01/08/609590108.db2.gz VUOITXMWGJCTQQ-SNVBAGLBSA-N -1 1 359.346 1.823 20 5 FDBDMM O=C(OCc1cccc(-c2nn[nH]n2)c1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000826465966 609622060 /nfs/dbraw/zinc/62/20/60/609622060.db2.gz KGBPXNIXSASFSN-UHFFFAOYSA-N -1 1 359.273 1.977 20 5 FDBDMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)CC ZINC000273770682 674570434 /nfs/dbraw/zinc/57/04/34/674570434.db2.gz ZKBSEEYPNBVTQD-BXUZGUMPSA-N -1 1 358.416 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ZINC000377441317 678543209 /nfs/dbraw/zinc/54/32/09/678543209.db2.gz KKVCTIFQRIEAPW-UHFFFAOYSA-N -1 1 368.390 1.788 20 5 FDBDMM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427396323 680973952 /nfs/dbraw/zinc/97/39/52/680973952.db2.gz CQYVFKMKBKWIAZ-UHFFFAOYSA-N -1 1 351.319 1.791 20 5 FDBDMM CCc1cnc(CC[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])s1 ZINC000435809962 681638137 /nfs/dbraw/zinc/63/81/37/681638137.db2.gz RBOWJXYEKNUQBF-UHFFFAOYSA-N -1 1 359.433 1.351 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)c([N+](=O)[O-])n1 ZINC000443083919 682231013 /nfs/dbraw/zinc/23/10/13/682231013.db2.gz FMCZSOYFWOZSNM-UHFFFAOYSA-N -1 1 363.399 1.814 20 5 FDBDMM NC(=O)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000445001922 682442524 /nfs/dbraw/zinc/44/25/24/682442524.db2.gz XLOAMKGESUDJNM-LLVKDONJSA-N -1 1 364.745 1.695 20 5 FDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)[C@H]1CCCO1 ZINC000447942606 682582871 /nfs/dbraw/zinc/58/28/71/682582871.db2.gz 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CCn1cc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)c([N+](=O)[O-])n1 ZINC000532854865 694892688 /nfs/dbraw/zinc/89/26/88/694892688.db2.gz LSJNFZHOCOTSDT-GFCCVEGCSA-N -1 1 354.388 1.213 20 5 FDBDMM O=C(Nc1ccccn1)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000377182282 791184911 /nfs/dbraw/zinc/18/49/11/791184911.db2.gz IYIAYDXHSAPKAF-UHFFFAOYSA-N -1 1 371.353 1.581 20 5 FDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000377477260 791913985 /nfs/dbraw/zinc/91/39/85/791913985.db2.gz SURIYUOZUILOCK-GFCCVEGCSA-N -1 1 362.386 1.560 20 5 FDBDMM COc1ncc([N+](=O)[O-])c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167932943 810919557 /nfs/dbraw/zinc/91/95/57/810919557.db2.gz BNYKEANQHCNWIT-UHFFFAOYSA-N -1 1 366.270 1.478 20 5 FDBDMM NC(=O)C1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)CC1 ZINC000516896866 817091559 /nfs/dbraw/zinc/09/15/59/817091559.db2.gz WAJXUGMEEXWQDE-UHFFFAOYSA-N -1 1 357.370 1.877 20 5 FDBDMM O=C(NCc1cccc(CN2CCOCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507397843 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COCc1cc([N+](=O)[O-])ccc1NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000821695120 606441744 /nfs/dbraw/zinc/44/17/44/606441744.db2.gz KHJLJFHZIOCHAS-UHFFFAOYSA-N -1 1 373.377 1.271 20 5 FDBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823201242 606497576 /nfs/dbraw/zinc/49/75/76/606497576.db2.gz DVDMYYBJNYUOER-UHFFFAOYSA-N -1 1 359.371 1.678 20 5 FDBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823201242 606497578 /nfs/dbraw/zinc/49/75/78/606497578.db2.gz DVDMYYBJNYUOER-UHFFFAOYSA-N -1 1 359.371 1.678 20 5 FDBDMM O=C(NCC1CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC000823171411 606645336 /nfs/dbraw/zinc/64/53/36/606645336.db2.gz ULTMAKDXCYAMRE-GFCCVEGCSA-N -1 1 371.401 1.518 20 5 FDBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822928571 606653124 /nfs/dbraw/zinc/65/31/24/606653124.db2.gz KLJVIRYJOQXMFH-ZZXKWVIFSA-N -1 1 352.310 1.927 20 5 FDBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822928571 606653125 /nfs/dbraw/zinc/65/31/25/606653125.db2.gz KLJVIRYJOQXMFH-ZZXKWVIFSA-N -1 1 352.310 1.927 20 5 FDBDMM CS(=O)(=O)c1cccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821942198 606698286 /nfs/dbraw/zinc/69/82/86/606698286.db2.gz MUEUALMFAACAFP-UHFFFAOYSA-N -1 1 362.327 1.366 20 5 FDBDMM CS(=O)(=O)c1cccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821942198 606698288 /nfs/dbraw/zinc/69/82/88/606698288.db2.gz MUEUALMFAACAFP-UHFFFAOYSA-N -1 1 362.327 1.366 20 5 FDBDMM COc1c(C)cnc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1C ZINC000821698517 606704700 /nfs/dbraw/zinc/70/47/00/606704700.db2.gz NHISSUMBNVZNFC-UHFFFAOYSA-N -1 1 356.346 1.802 20 5 FDBDMM COc1c(C)cnc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1C ZINC000821698517 606704701 /nfs/dbraw/zinc/70/47/01/606704701.db2.gz NHISSUMBNVZNFC-UHFFFAOYSA-N -1 1 356.346 1.802 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000823621062 606706099 /nfs/dbraw/zinc/70/60/99/606706099.db2.gz WFFHHYJQHVXHPL-SSDOTTSWSA-N -1 1 358.284 1.218 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000823621062 606706101 /nfs/dbraw/zinc/70/61/01/606706101.db2.gz WFFHHYJQHVXHPL-SSDOTTSWSA-N -1 1 358.284 1.218 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(N2CCOCC2)cc1 ZINC000823624758 607162217 /nfs/dbraw/zinc/16/22/17/607162217.db2.gz INXMDCPDVJMSOT-UHFFFAOYSA-N -1 1 368.357 1.750 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(N2CCOCC2)cc1 ZINC000823624758 607162218 /nfs/dbraw/zinc/16/22/18/607162218.db2.gz INXMDCPDVJMSOT-UHFFFAOYSA-N -1 1 368.357 1.750 20 5 FDBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCC1 ZINC000824640170 607906936 /nfs/dbraw/zinc/90/69/36/607906936.db2.gz BVVFOEWCYVRXNK-MRVPVSSYSA-N -1 1 352.376 1.242 20 5 FDBDMM O=[N+]([O-])c1cccc2c1CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000826500401 607937756 /nfs/dbraw/zinc/93/77/56/607937756.db2.gz XGAPSEMGGJXVQY-UHFFFAOYSA-N -1 1 368.313 1.641 20 5 FDBDMM O=[N+]([O-])c1cccc2c1CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000826500401 607937757 /nfs/dbraw/zinc/93/77/57/607937757.db2.gz XGAPSEMGGJXVQY-UHFFFAOYSA-N -1 1 368.313 1.641 20 5 FDBDMM O=[N+]([O-])c1cccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000826499280 607968530 /nfs/dbraw/zinc/96/85/30/607968530.db2.gz CIBTWWGBCJICNK-UHFFFAOYSA-N -1 1 356.302 1.733 20 5 FDBDMM O=[N+]([O-])c1cccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000826499280 607968531 /nfs/dbraw/zinc/96/85/31/607968531.db2.gz CIBTWWGBCJICNK-UHFFFAOYSA-N -1 1 356.302 1.733 20 5 FDBDMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826280696 608541238 /nfs/dbraw/zinc/54/12/38/608541238.db2.gz MLNYWAPCWGNUPD-UHFFFAOYSA-N -1 1 366.385 1.805 20 5 FDBDMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826280696 608541240 /nfs/dbraw/zinc/54/12/40/608541240.db2.gz MLNYWAPCWGNUPD-UHFFFAOYSA-N -1 1 366.385 1.805 20 5 FDBDMM CC(=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823942531 609503114 /nfs/dbraw/zinc/50/31/14/609503114.db2.gz 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2c(F)cccc2F)s1 ZINC000121055677 671699444 /nfs/dbraw/zinc/69/94/44/671699444.db2.gz MFPJHORBFYFGPR-SECBINFHSA-N -1 1 364.351 1.946 20 5 FDBDMM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]N=c2nccc[nH]2)c1 ZINC000129824101 671788740 /nfs/dbraw/zinc/78/87/40/671788740.db2.gz ZCOKSKNABGVLTJ-UHFFFAOYSA-N -1 1 374.176 1.453 20 5 FDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C1(CO)CC1 ZINC000142990217 671851829 /nfs/dbraw/zinc/85/18/29/671851829.db2.gz KMEVMMQWHZFZIZ-UHFFFAOYSA-N -1 1 351.178 1.161 20 5 FDBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nnc2ccccn21 ZINC000154477695 671923292 /nfs/dbraw/zinc/92/32/92/671923292.db2.gz XZFHZXOMQMDSIL-VIFPVBQESA-N -1 1 365.346 1.816 20 5 FDBDMM NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000172612654 672070077 /nfs/dbraw/zinc/07/00/77/672070077.db2.gz QFOQERNXRDCPQE-WPRPVWTQSA-N -1 1 361.807 1.571 20 5 FDBDMM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194346096 672383581 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350.375 1.464 20 5 FDBDMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)co1 ZINC000349652340 676818875 /nfs/dbraw/zinc/81/88/75/676818875.db2.gz OPFLDDSNLYPJHR-UHFFFAOYSA-N -1 1 350.312 1.813 20 5 FDBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCN2CCC[C@@H]2C1 ZINC000364103294 676991977 /nfs/dbraw/zinc/99/19/77/676991977.db2.gz ZPEYEXQVNCVOAT-GFCCVEGCSA-N -1 1 369.399 1.070 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1COc2ccccc2[C@@H]1O ZINC000377297773 678511240 /nfs/dbraw/zinc/51/12/40/678511240.db2.gz RXGRQFGQYAITAO-NHYWBVRUSA-N -1 1 368.342 1.507 20 5 FDBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000377333213 678520480 /nfs/dbraw/zinc/52/04/80/678520480.db2.gz BZHQIWJTPGAHRK-HOCLYGCPSA-N -1 1 364.379 1.509 20 5 FDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@H]2O)s1 ZINC000377346360 678524536 /nfs/dbraw/zinc/52/45/36/678524536.db2.gz NXGBRXWGKNUDOL-NOZJJQNGSA-N -1 1 356.381 1.429 20 5 FDBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C(C)(F)F ZINC000389208359 678777006 /nfs/dbraw/zinc/77/70/06/678777006.db2.gz HNNJKMHMWQIEGC-SSDOTTSWSA-N -1 1 352.315 1.703 20 5 FDBDMM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1(c2nn[n-]n2)CC1 ZINC000430316207 681070933 /nfs/dbraw/zinc/07/09/33/681070933.db2.gz OWQZXXARUQBSEF-UHFFFAOYSA-N -1 1 354.779 1.659 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCSc2ccccc2)c([N+](=O)[O-])n1 ZINC000435803328 681637494 /nfs/dbraw/zinc/63/74/94/681637494.db2.gz DXFHXVCZFQUJMJ-UHFFFAOYSA-N -1 1 356.429 1.882 20 5 FDBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000438892456 681888286 /nfs/dbraw/zinc/88/82/86/681888286.db2.gz XXSYIOWPVUMEQW-UHFFFAOYSA-N -1 1 373.416 1.159 20 5 FDBDMM CC(C)(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000475017361 685553438 /nfs/dbraw/zinc/55/34/38/685553438.db2.gz MWKALWZRGRPBLN-UHFFFAOYSA-N -1 1 354.754 1.582 20 5 FDBDMM CCN1CCN(CC(C)(C)NC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000456876807 683688077 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COc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000821720002 606443455 /nfs/dbraw/zinc/44/34/55/606443455.db2.gz LKBOQZRZFLWDJS-UHFFFAOYSA-N -1 1 373.377 1.158 20 5 FDBDMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc([N+](=O)[O-])c1 ZINC000821668177 606566798 /nfs/dbraw/zinc/56/67/98/606566798.db2.gz TZSSGKYJHWDJCH-UHFFFAOYSA-N -1 1 374.338 1.875 20 5 FDBDMM O=C(CCNc1ccccc1[N+](=O)[O-])OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822969653 606652880 /nfs/dbraw/zinc/65/28/80/606652880.db2.gz VUSCRWSLHOQDHD-UHFFFAOYSA-N -1 1 369.341 1.715 20 5 FDBDMM O=C(CCNc1ccccc1[N+](=O)[O-])OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822969653 606652881 /nfs/dbraw/zinc/65/28/81/606652881.db2.gz VUSCRWSLHOQDHD-UHFFFAOYSA-N -1 1 369.341 1.715 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCCN(c2ncccn2)C1 ZINC000823619924 606699801 /nfs/dbraw/zinc/69/98/01/606699801.db2.gz DCJBDRQHKQZUQH-JTQLQIEISA-N -1 1 368.361 1.041 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCCN(c2ncccn2)C1 ZINC000823619924 606699803 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360.359 1.204 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](c2nccs2)C1 ZINC000823621136 606706428 /nfs/dbraw/zinc/70/64/28/606706428.db2.gz WSGBYANZVVVUGY-SECBINFHSA-N -1 1 360.359 1.204 20 5 FDBDMM CC(C)c1ncc2c(n1)CN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000820206759 606707743 /nfs/dbraw/zinc/70/77/43/606707743.db2.gz ZOULAIJHCOHBBZ-UHFFFAOYSA-N -1 1 367.373 1.646 20 5 FDBDMM CC(C)c1ncc2c(n1)CN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000820206759 606707745 /nfs/dbraw/zinc/70/77/45/606707745.db2.gz ZOULAIJHCOHBBZ-UHFFFAOYSA-N -1 1 367.373 1.646 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ccc(F)c(F)c1 ZINC000823624794 606709153 /nfs/dbraw/zinc/70/91/53/606709153.db2.gz JRVAULRNGZSAEY-UHFFFAOYSA-N -1 1 363.284 1.939 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ccc(F)c(F)c1 ZINC000823624794 606709155 /nfs/dbraw/zinc/70/91/55/606709155.db2.gz JRVAULRNGZSAEY-UHFFFAOYSA-N -1 1 363.284 1.939 20 5 FDBDMM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821575897 606710288 /nfs/dbraw/zinc/71/02/88/606710288.db2.gz UJDVHNUNRNVHNL-VHSXEESVSA-N -1 1 360.378 1.229 20 5 FDBDMM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821575897 606710289 /nfs/dbraw/zinc/71/02/89/606710289.db2.gz UJDVHNUNRNVHNL-VHSXEESVSA-N -1 1 360.378 1.229 20 5 FDBDMM CN(C)C(=O)[C@H]1CCC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821575896 606710793 /nfs/dbraw/zinc/71/07/93/606710793.db2.gz UJDVHNUNRNVHNL-UWVGGRQHSA-N -1 1 360.378 1.229 20 5 FDBDMM CN(C)C(=O)[C@H]1CCC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821575896 606710794 /nfs/dbraw/zinc/71/07/94/606710794.db2.gz UJDVHNUNRNVHNL-UWVGGRQHSA-N -1 1 360.378 1.229 20 5 FDBDMM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820734073 606719200 /nfs/dbraw/zinc/71/92/00/606719200.db2.gz KWVIOUSKHDNMIR-BXKDBHETSA-N -1 1 372.389 1.229 20 5 FDBDMM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820734073 606719202 /nfs/dbraw/zinc/71/92/02/606719202.db2.gz KWVIOUSKHDNMIR-BXKDBHETSA-N -1 1 372.389 1.229 20 5 FDBDMM C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000820709557 606730471 /nfs/dbraw/zinc/73/04/71/606730471.db2.gz KEILJFUEMBHIDS-VIFPVBQESA-N -1 1 352.376 1.196 20 5 FDBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H]1C ZINC000820766602 606736374 /nfs/dbraw/zinc/73/63/74/606736374.db2.gz BQNBJVSUFKMRQA-RKDXNWHRSA-N -1 1 352.376 1.051 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nnc2n1CCCCC2 ZINC000823625105 607163267 /nfs/dbraw/zinc/16/32/67/607163267.db2.gz PDGDRVAMDFPQCX-UHFFFAOYSA-N -1 1 356.350 1.100 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nnc2n1CCCCC2 ZINC000823625105 607163270 /nfs/dbraw/zinc/16/32/70/607163270.db2.gz PDGDRVAMDFPQCX-UHFFFAOYSA-N -1 1 356.350 1.100 20 5 FDBDMM CNC(=O)c1ccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821635350 607164175 /nfs/dbraw/zinc/16/41/75/607164175.db2.gz YAPCPBLVQCTGDD-UHFFFAOYSA-N -1 1 368.357 1.166 20 5 FDBDMM CNC(=O)c1ccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821635350 607164176 /nfs/dbraw/zinc/16/41/76/607164176.db2.gz YAPCPBLVQCTGDD-UHFFFAOYSA-N -1 1 368.357 1.166 20 5 FDBDMM O=C(C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000822916763 607166000 /nfs/dbraw/zinc/16/60/00/607166000.db2.gz CNMLAVVDUZRNOT-UHFFFAOYSA-N -1 1 372.389 1.009 20 5 FDBDMM O=C(C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000822916763 607166001 /nfs/dbraw/zinc/16/60/01/607166001.db2.gz CNMLAVVDUZRNOT-UHFFFAOYSA-N -1 1 372.389 1.009 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000823620054 607176656 /nfs/dbraw/zinc/17/66/56/607176656.db2.gz HKBSHMYVAGRUFW-LKFCYVNXSA-N -1 1 363.403 1.637 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000823620054 607176657 /nfs/dbraw/zinc/17/66/57/607176657.db2.gz HKBSHMYVAGRUFW-LKFCYVNXSA-N -1 1 363.403 1.637 20 5 FDBDMM NC(=O)c1ccc(COc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826393323 607864819 /nfs/dbraw/zinc/86/48/19/607864819.db2.gz NGHKGXWVBRDZKB-UHFFFAOYSA-N -1 1 358.289 1.592 20 5 FDBDMM NC(=O)c1ccc(COc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826393323 607864820 /nfs/dbraw/zinc/86/48/20/607864820.db2.gz NGHKGXWVBRDZKB-UHFFFAOYSA-N -1 1 358.289 1.592 20 5 FDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826497831 608296404 /nfs/dbraw/zinc/29/64/04/608296404.db2.gz WDFXNYVGBIRXLG-NWDGAFQWSA-N -1 1 359.390 1.813 20 5 FDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826497831 608296407 /nfs/dbraw/zinc/29/64/07/608296407.db2.gz WDFXNYVGBIRXLG-NWDGAFQWSA-N -1 1 359.390 1.813 20 5 FDBDMM C[C@@]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)(C(N)=O)c1ccccc1 ZINC000119679116 671678165 /nfs/dbraw/zinc/67/81/65/671678165.db2.gz BEXUJNZBIGZVHZ-ZDUSSCGKSA-N -1 1 355.397 1.335 20 5 FDBDMM CCC[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000158675088 671982061 /nfs/dbraw/zinc/98/20/61/671982061.db2.gz DIFBFUGTDUGXQR-VIFPVBQESA-N -1 1 367.221 1.797 20 5 FDBDMM NC(=O)c1cccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000171046108 672050441 /nfs/dbraw/zinc/05/04/41/672050441.db2.gz ZAXACCDLNAUHCE-UHFFFAOYSA-N -1 1 367.358 1.354 20 5 FDBDMM O=C(NCCCn1cc(Br)cn1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000288500061 676014360 /nfs/dbraw/zinc/01/43/60/676014360.db2.gz DTUUWAOTUNFIIH-UHFFFAOYSA-N -1 1 370.163 1.475 20 5 FDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCO[C@@H]1CCCCO1 ZINC000281265528 675505564 /nfs/dbraw/zinc/50/55/64/675505564.db2.gz VYADBBHVYJPQOC-CYBMUJFWSA-N -1 1 362.379 1.946 20 5 FDBDMM CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000370923218 677630077 /nfs/dbraw/zinc/63/00/77/677630077.db2.gz BMKVTYQGKRPJSW-GFCCVEGCSA-N -1 1 363.351 1.296 20 5 FDBDMM Cc1noc(C(C)(C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC000414339630 679340516 /nfs/dbraw/zinc/34/05/16/679340516.db2.gz JUFQMLYPDMPCIH-UHFFFAOYSA-N -1 1 370.343 1.198 20 5 FDBDMM CCCc1cc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[nH]n1 ZINC000474430742 685408608 /nfs/dbraw/zinc/40/86/08/685408608.db2.gz YLZPDGHQYOOTFQ-UHFFFAOYSA-N -1 1 368.371 1.842 20 5 FDBDMM CNC(=O)c1ccc(Oc2ccc([N-]S(C)(=O)=O)nc2)c([N+](=O)[O-])c1 ZINC000439126454 681907953 /nfs/dbraw/zinc/90/79/53/681907953.db2.gz AVYZLVSNIYELSS-UHFFFAOYSA-N -1 1 366.355 1.513 20 5 FDBDMM COCCOC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462391470 684634693 /nfs/dbraw/zinc/63/46/93/684634693.db2.gz FNIRUTLHDKGYLN-VIFPVBQESA-N -1 1 352.796 1.578 20 5 FDBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CC ZINC000462564620 684649681 /nfs/dbraw/zinc/64/96/81/684649681.db2.gz IFSFKIHQKRPJNJ-RISCZKNCSA-N -1 1 358.416 1.992 20 5 FDBDMM O=C(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)NCc1ccccn1 ZINC000476198781 685688334 /nfs/dbraw/zinc/68/83/34/685688334.db2.gz TWHBCAWYQBDTDK-UHFFFAOYSA-N -1 1 370.412 1.036 20 5 FDBDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000479163697 686001173 /nfs/dbraw/zinc/00/11/73/686001173.db2.gz OHXJLLAYVDLAEV-UHFFFAOYSA-N -1 1 354.340 1.843 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C)c([N+](=O)[O-])n1 ZINC000480727276 686215291 /nfs/dbraw/zinc/21/52/91/686215291.db2.gz KCALUSQHAAASPT-SNVBAGLBSA-N -1 1 362.408 1.210 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2nc3c(cccc3C)[nH]2)c([N+](=O)[O-])n1 ZINC000497938142 687729349 /nfs/dbraw/zinc/72/93/49/687729349.db2.gz LTRSUBWZNBGHDE-UHFFFAOYSA-N -1 1 364.387 1.474 20 5 FDBDMM COC(=O)c1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000507979803 688696399 /nfs/dbraw/zinc/69/63/99/688696399.db2.gz PGBBZNCUOGVIIH-UHFFFAOYSA-N -1 1 370.408 1.964 20 5 FDBDMM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000526964960 694647151 /nfs/dbraw/zinc/64/71/51/694647151.db2.gz NURIQCZMTGLOAP-CYBMUJFWSA-N -1 1 351.384 1.180 20 5 FDBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1[N-]S(C)(=O)=O ZINC000531878526 694854221 /nfs/dbraw/zinc/85/42/21/694854221.db2.gz DSVXISMPPNYCKR-UHFFFAOYSA-N -1 1 366.355 1.622 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc3c2OCO3)c([N+](=O)[O-])n1 ZINC000532854337 694892371 /nfs/dbraw/zinc/89/23/71/694892371.db2.gz GXZCJOVHIIYARU-UHFFFAOYSA-N -1 1 354.344 1.018 20 5 FDBDMM CCn1cc(S(=O)(=O)[N-]CCOc2ccc(C)cc2)c([N+](=O)[O-])n1 ZINC000532949188 694897444 /nfs/dbraw/zinc/89/74/44/694897444.db2.gz RRZSJZXCEKKYAV-UHFFFAOYSA-N -1 1 354.388 1.477 20 5 FDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)cc1F ZINC000867511187 782481850 /nfs/dbraw/zinc/48/18/50/782481850.db2.gz QHQSMMGVGDBFBQ-LLVKDONJSA-N -1 1 354.306 1.745 20 5 FDBDMM