smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@](O)(CO)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000090287361 349434572 /nfs/dbraw/zinc/43/45/72/349434572.db2.gz FCPFQKZDSXDWFH-LLVKDONJSA-N 0 0 269.257 0.460 20 5 CCBDRN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000090511307 349437817 /nfs/dbraw/zinc/43/78/17/349437817.db2.gz TXUJVGIROYUIBI-UHFFFAOYSA-N 0 0 281.312 0.867 20 5 CCBDRN CN(CC1(O)CCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000124507268 187140528 /nfs/dbraw/zinc/14/05/28/187140528.db2.gz NZYZJQWFMYUMEK-UHFFFAOYSA-N 0 0 282.300 0.555 20 5 CCBDRN CCc1nn(C)c(N(C)C[C@@H](C)C(=O)NC)c1[N+](=O)[O-] ZINC000091732148 349473725 /nfs/dbraw/zinc/47/37/25/349473725.db2.gz XEXPLVBGKIJGRY-MRVPVSSYSA-N 0 0 283.332 0.709 20 5 CCBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1O ZINC000092978018 349517379 /nfs/dbraw/zinc/51/73/79/349517379.db2.gz BFPFMXHOJZHCFF-XPUUQOCRSA-N 0 0 253.262 0.174 20 5 CCBDRN NC(=O)C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000599666855 361778695 /nfs/dbraw/zinc/77/86/95/361778695.db2.gz YVUGHCRPBANZPX-NSHDSACASA-N 0 0 279.296 0.671 20 5 CCBDRN CC(C)NC(=O)CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269326792 190486720 /nfs/dbraw/zinc/48/67/20/190486720.db2.gz LFXYZMRLMLDUNC-UHFFFAOYSA-N 0 0 297.315 0.696 20 5 CCBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000599779975 361812521 /nfs/dbraw/zinc/81/25/21/361812521.db2.gz QSAXWLRPQLANQI-UWVGGRQHSA-N 0 0 295.295 0.659 20 5 CCBDRN Nc1ccc(C(=O)NC[C@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000082971876 178331965 /nfs/dbraw/zinc/33/19/65/178331965.db2.gz DICDQMGLSCTWHH-GFCCVEGCSA-N 0 0 297.336 0.775 20 5 CCBDRN CCc1nn(C)c(NC[C@H](O)c2cnn(C)c2)c1[N+](=O)[O-] ZINC000094167689 349561805 /nfs/dbraw/zinc/56/18/05/349561805.db2.gz ZUBFCTBQVKWCDK-JTQLQIEISA-N 0 0 294.315 0.770 20 5 CCBDRN COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1C ZINC000094818412 349576421 /nfs/dbraw/zinc/57/64/21/349576421.db2.gz WPNPYGTWYKRHID-RKDXNWHRSA-N 0 0 295.295 0.814 20 5 CCBDRN CC[C@H](CCO)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000094958455 349579664 /nfs/dbraw/zinc/57/96/64/349579664.db2.gz MUQLSPMMKKCJMC-MRVPVSSYSA-N 0 0 283.284 0.422 20 5 CCBDRN Cn1ncnc1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000600057870 361857803 /nfs/dbraw/zinc/85/78/03/361857803.db2.gz INALJZMGOHPISO-UHFFFAOYSA-N 0 0 290.283 0.481 20 5 CCBDRN Cc1ccc(NC(=O)C(=O)NCC2COC2)cc1[N+](=O)[O-] ZINC000600072074 361861251 /nfs/dbraw/zinc/86/12/51/361861251.db2.gz UIYZGPZJBPMCGK-UHFFFAOYSA-N 0 0 293.279 0.604 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N1C[C@@H](CO)[C@H](CO)C1 ZINC000600216483 361894627 /nfs/dbraw/zinc/89/46/27/361894627.db2.gz XWNKWNNJNJKGMX-IUCAKERBSA-N 0 0 298.270 0.407 20 5 CCBDRN CN(CC(=O)NC1CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000096968796 185143810 /nfs/dbraw/zinc/14/38/10/185143810.db2.gz SPMWFPJZDJZFBK-UHFFFAOYSA-N 0 0 277.280 0.945 20 5 CCBDRN COc1ccc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000600317328 361928086 /nfs/dbraw/zinc/92/80/86/361928086.db2.gz QWMBHQGJPHBHKH-KYZUINATSA-N 0 0 293.279 0.597 20 5 CCBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2COCCC2=O)c1 ZINC000600389997 361939072 /nfs/dbraw/zinc/93/90/72/361939072.db2.gz LKKOLVJJMZTDQW-JTQLQIEISA-N 0 0 278.264 0.991 20 5 CCBDRN Cc1ccc(C(=O)N[C@H]2COCCC2=O)cc1[N+](=O)[O-] ZINC000600389105 361939388 /nfs/dbraw/zinc/93/93/88/361939388.db2.gz IMPZIMCIZCPDAU-JTQLQIEISA-N 0 0 278.264 0.991 20 5 CCBDRN Cc1cc(C(=O)N[C@H]2COCCC2=O)ccc1[N+](=O)[O-] ZINC000600390977 361940251 /nfs/dbraw/zinc/94/02/51/361940251.db2.gz NVFCSINWEVWSRF-JTQLQIEISA-N 0 0 278.264 0.991 20 5 CCBDRN COc1ccc(Cn2nccc2C(N)=O)cc1[N+](=O)[O-] ZINC000337938915 214321497 /nfs/dbraw/zinc/32/14/97/214321497.db2.gz VNZIFCZOSPFYSV-UHFFFAOYSA-N 0 0 276.252 0.947 20 5 CCBDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000600442430 361961984 /nfs/dbraw/zinc/96/19/84/361961984.db2.gz POLALRRVSJMRGE-JIOCBJNQSA-N 0 0 282.300 0.870 20 5 CCBDRN COC(=O)COCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000600403330 361950720 /nfs/dbraw/zinc/95/07/20/361950720.db2.gz HKQOMJIFOBLKEU-UHFFFAOYSA-N 0 0 296.279 0.823 20 5 CCBDRN Cc1noc(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000337959943 214333338 /nfs/dbraw/zinc/33/33/38/214333338.db2.gz AQQAXDHQDOGJQX-UHFFFAOYSA-N 0 0 265.229 0.587 20 5 CCBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCO[C@@H](CCF)C1 ZINC000600493272 361991115 /nfs/dbraw/zinc/99/11/15/361991115.db2.gz GNYROEZUMDQQPY-ZETCQYMHSA-N 0 0 272.236 0.519 20 5 CCBDRN CCO[C@H](Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)C1CC1 ZINC000600514922 362001079 /nfs/dbraw/zinc/00/10/79/362001079.db2.gz BXDFKINMLSFELO-LLVKDONJSA-N 0 0 295.295 0.671 20 5 CCBDRN CCO[C@@H](Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)C1CC1 ZINC000600514931 362001134 /nfs/dbraw/zinc/00/11/34/362001134.db2.gz BXDFKINMLSFELO-NSHDSACASA-N 0 0 295.295 0.671 20 5 CCBDRN Nc1nccc(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000600520859 362002533 /nfs/dbraw/zinc/00/25/33/362002533.db2.gz 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214469841 /nfs/dbraw/zinc/46/98/41/214469841.db2.gz NMMQNDKEOBECFU-NSHDSACASA-N 0 0 291.307 0.780 20 5 CCBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(CO)CO ZINC000126085593 187216531 /nfs/dbraw/zinc/21/65/31/187216531.db2.gz GSXKSSIRJXDSAW-UHFFFAOYSA-N 0 0 268.269 0.376 20 5 CCBDRN Cc1cc(NC(=O)CN(C)c2ncc([N+](=O)[O-])cn2)no1 ZINC000273145399 192057613 /nfs/dbraw/zinc/05/76/13/192057613.db2.gz GEOPYIPTYPHUAG-UHFFFAOYSA-N 0 0 292.255 0.756 20 5 CCBDRN CCc1ccc(C(=O)N[C@H](CO)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000412430258 529608452 /nfs/dbraw/zinc/60/84/52/529608452.db2.gz XYEXIRGQOOXDAZ-LDYMZIIASA-N 0 0 282.296 0.629 20 5 CCBDRN CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000457000685 529603020 /nfs/dbraw/zinc/60/30/20/529603020.db2.gz UWJFVPUJYMZBGJ-SNVBAGLBSA-N 0 0 279.296 0.778 20 5 CCBDRN O=C(N[C@@H]1CCOC[C@H]1O)c1csc([N+](=O)[O-])c1 ZINC000600586677 362015113 /nfs/dbraw/zinc/01/51/13/362015113.db2.gz PTCJQWWZLZMTMS-HTQZYQBOSA-N 0 0 272.282 0.536 20 5 CCBDRN O=C(N[C@@H]1CCOC[C@H]1O)c1ccc([N+](=O)[O-])o1 ZINC000600588682 362015746 /nfs/dbraw/zinc/01/57/46/362015746.db2.gz XAKRLEZYJFYWJK-RNFRBKRXSA-N 0 0 256.214 0.067 20 5 CCBDRN COC(=O)[C@](C)(NC(=O)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000600535895 362006314 /nfs/dbraw/zinc/00/63/14/362006314.db2.gz JWENCMWOFPOWOA-ISVAXAHUSA-N 0 0 296.279 0.480 20 5 CCBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2(C(N)=O)CC2)c1 ZINC000338469258 214607447 /nfs/dbraw/zinc/60/74/47/214607447.db2.gz HBUODXHHEHUXMG-UHFFFAOYSA-N 0 0 293.279 0.741 20 5 CCBDRN COC[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000112938651 349796474 /nfs/dbraw/zinc/79/64/74/349796474.db2.gz UWPWBVLDEFVCSM-LLVKDONJSA-N 0 0 296.327 0.985 20 5 CCBDRN CC[C@H](O)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455959074 529693675 /nfs/dbraw/zinc/69/36/75/529693675.db2.gz TYCRXHGKTQXECS-QMMMGPOBSA-N 0 0 282.300 0.922 20 5 CCBDRN CNC(=O)[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CCO1 ZINC000601139664 362155478 /nfs/dbraw/zinc/15/54/78/362155478.db2.gz 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CNC(=O)C1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000492620314 529842624 /nfs/dbraw/zinc/84/26/24/529842624.db2.gz SKGSYDONWSRKKO-DAXSKMNVSA-N 0 0 289.291 0.812 20 5 CCBDRN CNC(=O)CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358312961 529860572 /nfs/dbraw/zinc/86/05/72/529860572.db2.gz UFDARXVYWVPIOO-UHFFFAOYSA-N 0 0 283.259 0.481 20 5 CCBDRN CNC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426889644 529860649 /nfs/dbraw/zinc/86/06/49/529860649.db2.gz GQNYUYYZVKUQBJ-UHFFFAOYSA-N 0 0 281.268 0.421 20 5 CCBDRN CN(CC(C)(C)CO)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000296268690 529847470 /nfs/dbraw/zinc/84/74/70/529847470.db2.gz PPGVGLJEOWJRQL-UHFFFAOYSA-N 0 0 297.311 0.233 20 5 CCBDRN CNC(=O)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491875475 529857467 /nfs/dbraw/zinc/85/74/67/529857467.db2.gz YDCJUJISSIBIFP-QPJJXVBHSA-N 0 0 277.280 0.860 20 5 CCBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1O ZINC000301948246 136443659 /nfs/dbraw/zinc/44/36/59/136443659.db2.gz BFPFMXHOJZHCFF-POYBYMJQSA-N 0 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ZINC000272763276 353092420 /nfs/dbraw/zinc/09/24/20/353092420.db2.gz GCLCBCLDZMWWFA-UHFFFAOYSA-N 0 0 282.275 0.578 20 5 CCBDRN COc1ccc(NC(=O)NCCC(N)=O)cc1[N+](=O)[O-] ZINC000272789905 353095338 /nfs/dbraw/zinc/09/53/38/353095338.db2.gz GDHYHMDAHXGPBO-UHFFFAOYSA-N 0 0 282.256 0.600 20 5 CCBDRN CCc1n[nH]c(C(=O)NCC(F)(F)CO)c1[N+](=O)[O-] ZINC000274441681 353129617 /nfs/dbraw/zinc/12/96/17/353129617.db2.gz IGOTVGCPPKKZKH-UHFFFAOYSA-N 0 0 278.215 0.238 20 5 CCBDRN COc1ccc(C(=O)N2CCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000152653679 188035032 /nfs/dbraw/zinc/03/50/32/188035032.db2.gz QBGBROFSTAYMRY-UHFFFAOYSA-N 0 0 293.279 0.518 20 5 CCBDRN O=[N+]([O-])c1ccn(C[C@@H](O)COCC(F)(F)F)n1 ZINC000292301050 198235354 /nfs/dbraw/zinc/23/53/54/198235354.db2.gz AMZLLPFYJICISF-ZCFIWIBFSA-N 0 0 269.179 0.731 20 5 CCBDRN NC(=O)[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153726168 188099870 /nfs/dbraw/zinc/09/98/70/188099870.db2.gz NPTQFQSVIOKQOA-CHWSQXEVSA-N 0 0 293.323 0.968 20 5 CCBDRN Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000274811466 353164441 /nfs/dbraw/zinc/16/44/41/353164441.db2.gz NCJWNEPFBVBGBN-QWRGUYRKSA-N 0 0 280.280 0.471 20 5 CCBDRN CCN(C)C(=O)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000274827748 353165377 /nfs/dbraw/zinc/16/53/77/353165377.db2.gz IUXNNWSCLGIHTH-UHFFFAOYSA-N 0 0 280.284 0.385 20 5 CCBDRN Cn1nnnc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000275202239 353195781 /nfs/dbraw/zinc/19/57/81/353195781.db2.gz HVKITXMFUHJANX-UHFFFAOYSA-N 0 0 290.283 0.367 20 5 CCBDRN CC(C)[C@@H](CCO)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000275093638 353184482 /nfs/dbraw/zinc/18/44/82/353184482.db2.gz HGYCROHCYMECBP-SECBINFHSA-N 0 0 283.284 0.832 20 5 CCBDRN C[C@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000275109000 353185401 /nfs/dbraw/zinc/18/54/01/353185401.db2.gz CCUSXAXICDOBOW-VIFPVBQESA-N 0 0 282.300 0.062 20 5 CCBDRN COC(=O)c1cc([N+](=O)[O-])cn(Cc2conc2C)c1=O ZINC000555874279 290982950 /nfs/dbraw/zinc/98/29/50/290982950.db2.gz QKRREDDAVVMFBG-UHFFFAOYSA-N 0 0 293.235 0.888 20 5 CCBDRN C[C@H](O)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000154305531 188135200 /nfs/dbraw/zinc/13/52/00/188135200.db2.gz JWUNWFFOOZBSFC-ZETCQYMHSA-N 0 0 292.288 0.783 20 5 CCBDRN COC(=O)[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1C ZINC000276435202 353208867 /nfs/dbraw/zinc/20/88/67/353208867.db2.gz BMINNSWQQJKHBU-SFYZADRCSA-N 0 0 295.299 0.602 20 5 CCBDRN CC(F)(F)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000517694394 535209598 /nfs/dbraw/zinc/20/95/98/535209598.db2.gz KZXYEFKHJIWCNB-UHFFFAOYSA-N 0 0 277.231 0.746 20 5 CCBDRN O=C(N[C@@]1(CCO)CCOC1)c1ccc([N+](=O)[O-])o1 ZINC000278100524 353282758 /nfs/dbraw/zinc/28/27/58/353282758.db2.gz OORZRNPGYGENNZ-NSHDSACASA-N 0 0 270.241 0.459 20 5 CCBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000278205615 353287620 /nfs/dbraw/zinc/28/76/20/353287620.db2.gz UVZPDCYJWPSUDE-NXEZZACHSA-N 0 0 297.267 0.173 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@]1(C)CCOC1 ZINC000156697457 188277135 /nfs/dbraw/zinc/27/71/35/188277135.db2.gz LYKXLZIDLYXLEZ-GFCCVEGCSA-N 0 0 282.300 0.785 20 5 CCBDRN CCc1n[nH]c(C(=O)N[C@](C)(CC)CO)c1[N+](=O)[O-] ZINC000278446313 353300305 /nfs/dbraw/zinc/30/03/05/353300305.db2.gz QFLARDGPGKWCJO-LLVKDONJSA-N 0 0 270.289 0.771 20 5 CCBDRN CCc1n[nH]c(C(=O)NCC(=O)C2CC2)c1[N+](=O)[O-] ZINC000278469085 353302198 /nfs/dbraw/zinc/30/21/98/353302198.db2.gz SYXCUFUFPCDUPH-UHFFFAOYSA-N 0 0 266.257 0.589 20 5 CCBDRN Nc1c(C(=O)N[C@@H]2CCC(=O)NC2)cccc1[N+](=O)[O-] ZINC000157326616 188310087 /nfs/dbraw/zinc/31/00/87/188310087.db2.gz XBBPGSQDHUABLU-SSDOTTSWSA-N 0 0 278.268 0.185 20 5 CCBDRN O=C(N[C@@H](CO)CC1CCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000280381024 353358976 /nfs/dbraw/zinc/35/89/76/353358976.db2.gz VSUDMQZBEMGDLN-SECBINFHSA-N 0 0 295.295 0.976 20 5 CCBDRN C[C@@H]1OCC[C@@]12CN(c1c([N+](=O)[O-])ncn1C)CCO2 ZINC000280449139 353362980 /nfs/dbraw/zinc/36/29/80/353362980.db2.gz LCIHWZKDXVEAFV-JOYOIKCWSA-N 0 0 282.300 0.713 20 5 CCBDRN O=C1N[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C[C@@H]2CO1 ZINC000282014749 353391908 /nfs/dbraw/zinc/39/19/08/353391908.db2.gz XCWZARTWMWGOSZ-SCZZXKLOSA-N 0 0 278.268 0.925 20 5 CCBDRN Cc1cc(NC[C@@H](O)C(N)=O)c(F)cc1[N+](=O)[O-] ZINC000292651440 198363118 /nfs/dbraw/zinc/36/31/18/198363118.db2.gz PFSDPGOFKSKHBD-SECBINFHSA-N 0 0 257.221 0.300 20 5 CCBDRN CCC(=O)c1ccc(NCC(=O)NCCO)c([N+](=O)[O-])c1 ZINC000280738718 353379453 /nfs/dbraw/zinc/37/94/53/353379453.db2.gz OCRCDZGATNIQFW-UHFFFAOYSA-N 0 0 295.295 0.708 20 5 CCBDRN O=C(NC[C@H](CO)[C@H]1CCOC1)c1ccc([N+](=O)[O-])o1 ZINC000280815095 353385248 /nfs/dbraw/zinc/38/52/48/353385248.db2.gz STGIIQSSODXJJH-DTWKUNHWSA-N 0 0 284.268 0.563 20 5 CCBDRN CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCNC1=O ZINC000282308547 353412276 /nfs/dbraw/zinc/41/22/76/353412276.db2.gz ZPCBZJNHJQWHTK-ZETCQYMHSA-N 0 0 267.241 0.538 20 5 CCBDRN C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000158830381 188396073 /nfs/dbraw/zinc/39/60/73/188396073.db2.gz ARSVPQCNNQVJSO-BQBZGAKWSA-N 0 0 254.246 0.567 20 5 CCBDRN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2CO)cc1F ZINC000283243246 353493702 /nfs/dbraw/zinc/49/37/02/353493702.db2.gz UXKGTUMTISTPHC-VHSXEESVSA-N 0 0 270.260 0.661 20 5 CCBDRN CN(C)c1ncnc(Cl)c1Cn1cnc([N+](=O)[O-])n1 ZINC000282972712 353469712 /nfs/dbraw/zinc/46/97/12/353469712.db2.gz JBSXEOMZFVSUQU-UHFFFAOYSA-N 0 0 283.679 0.744 20 5 CCBDRN O=C1CCC(=O)N1CCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000158765450 188392774 /nfs/dbraw/zinc/39/27/74/188392774.db2.gz STNLLIONLBSVNI-UHFFFAOYSA-N 0 0 299.670 0.559 20 5 CCBDRN COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)O1 ZINC000283095564 353480688 /nfs/dbraw/zinc/48/06/88/353480688.db2.gz FUAYKYGBGUVSMA-VXNVDRBHSA-N 0 0 297.267 0.325 20 5 CCBDRN O=[N+]([O-])c1cnn(CC[S@@](=O)c2n[nH]c(C3CC3)n2)c1 ZINC000158805367 188394661 /nfs/dbraw/zinc/39/46/61/188394661.db2.gz JWDYPVQRWMEIGI-FQEVSTJZSA-N 0 0 296.312 0.595 20 5 CCBDRN C[C@@H]1COCC[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286412220 353584635 /nfs/dbraw/zinc/58/46/35/353584635.db2.gz FOQAMJMEQDVEGS-RNFRBKRXSA-N 0 0 254.246 0.473 20 5 CCBDRN CN(c1ccc([N+](=O)[O-])cc1F)[C@@H]1COC[C@H]1O ZINC000286440397 353586894 /nfs/dbraw/zinc/58/68/94/353586894.db2.gz SMZMTOGMHSKNEK-GHMZBOCLSA-N 0 0 256.233 0.930 20 5 CCBDRN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286552477 353595055 /nfs/dbraw/zinc/59/50/55/353595055.db2.gz SOMIPIHDEDDPCT-LKWPHKCZSA-N 0 0 286.313 0.299 20 5 CCBDRN Cc1nnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]1 ZINC000286215181 353569469 /nfs/dbraw/zinc/56/94/69/353569469.db2.gz BUCQMIIJGULHCU-RXMQYKEDSA-N 0 0 264.245 0.840 20 5 CCBDRN COC(=O)COCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000287039590 353624674 /nfs/dbraw/zinc/62/46/74/353624674.db2.gz FNYKIWFVKLUWRR-VIFPVBQESA-N 0 0 296.279 0.962 20 5 CCBDRN O=C(NOCCC(F)(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC000286728931 353606523 /nfs/dbraw/zinc/60/65/23/353606523.db2.gz HZUVZSIILGUUOI-UHFFFAOYSA-N 0 0 268.151 0.932 20 5 CCBDRN C[C@@H]1[C@H](C)OCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286779629 353609283 /nfs/dbraw/zinc/60/92/83/353609283.db2.gz OKYWBLUTRAIZNT-RQJHMYQMSA-N 0 0 254.246 0.567 20 5 CCBDRN CC(C)C(=O)NCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290492373 353729801 /nfs/dbraw/zinc/72/98/01/353729801.db2.gz JIZLLNKBPIPHJY-UHFFFAOYSA-N 0 0 295.299 0.273 20 5 CCBDRN C[C@@H](O)C[C@@H](C)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290840129 353753152 /nfs/dbraw/zinc/75/31/52/353753152.db2.gz VSOSQXVHGNRCSH-HTQZYQBOSA-N 0 0 282.300 0.908 20 5 CCBDRN O=C(N[C@@H](CO)C1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000291153922 353770859 /nfs/dbraw/zinc/77/08/59/353770859.db2.gz GBCYPNBXSVSSRM-QMMMGPOBSA-N 0 0 268.273 0.599 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cncn1C ZINC000291166791 353771407 /nfs/dbraw/zinc/77/14/07/353771407.db2.gz ILYWOMRMJNJFIL-UHFFFAOYSA-N 0 0 292.299 0.540 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](n2cccn2)C1 ZINC000291270608 353776275 /nfs/dbraw/zinc/77/62/75/353776275.db2.gz QPHNUHFXZMMJSY-SNVBAGLBSA-N 0 0 290.283 0.461 20 5 CCBDRN CO[C@H](C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290727763 353745291 /nfs/dbraw/zinc/74/52/91/353745291.db2.gz ZXVMLCTZYUAASL-SSDOTTSWSA-N 0 0 268.273 0.926 20 5 CCBDRN CC[C@](C)(NCCn1ccc([N+](=O)[O-])n1)C(=O)OC ZINC000293275043 353800646 /nfs/dbraw/zinc/80/06/46/353800646.db2.gz STKRRWYEYZOWIS-NSHDSACASA-N 0 0 270.289 0.723 20 5 CCBDRN Cc1c(CC(=O)NCc2nncn2C)cccc1[N+](=O)[O-] ZINC000161193737 188514061 /nfs/dbraw/zinc/51/40/61/188514061.db2.gz HDXQDLWLSHVHFV-UHFFFAOYSA-N 0 0 289.295 0.891 20 5 CCBDRN COCC(C)(C)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000293670635 353828905 /nfs/dbraw/zinc/82/89/05/353828905.db2.gz IMOGPSFGMDADEZ-UHFFFAOYSA-N 0 0 270.289 0.580 20 5 CCBDRN Nc1nc(N2CCC[C@@H](O)CC2)ncc1[N+](=O)[O-] ZINC000294152989 353873378 /nfs/dbraw/zinc/87/33/78/353873378.db2.gz RBQMHJFMRSWFCR-SSDOTTSWSA-N 0 0 253.262 0.318 20 5 CCBDRN CCc1noc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)n1 ZINC000294244320 353881298 /nfs/dbraw/zinc/88/12/98/353881298.db2.gz PAZMWDWOXLQJJH-UHFFFAOYSA-N 0 0 295.259 0.558 20 5 CCBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](O)C12CCCC2 ZINC000294284576 353885360 /nfs/dbraw/zinc/88/53/60/353885360.db2.gz TYNUJUVLKSKRPR-SECBINFHSA-N 0 0 280.284 0.838 20 5 CCBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H](O)C(F)F ZINC000295471704 353896747 /nfs/dbraw/zinc/89/67/47/353896747.db2.gz MNMGGTBUGIRKGH-MHTLYPKNSA-N 0 0 278.215 0.452 20 5 CCBDRN CCc1nnc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]1 ZINC000295448613 353894361 /nfs/dbraw/zinc/89/43/61/353894361.db2.gz AUUMZKFFXCWKQH-UHFFFAOYSA-N 0 0 264.245 0.533 20 5 CCBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCCn2nnnc21 ZINC000293900233 353849543 /nfs/dbraw/zinc/84/95/43/353849543.db2.gz FHSKSMWFTGTBRV-UHFFFAOYSA-N 0 0 274.240 0.632 20 5 CCBDRN CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(C)(C)O ZINC000293924083 353851083 /nfs/dbraw/zinc/85/10/83/353851083.db2.gz FPSLMOFSXCQGSN-SECBINFHSA-N 0 0 284.316 0.765 20 5 CCBDRN CCc1n[nH]c(C(=O)N(C2CC2)C2COC2)c1[N+](=O)[O-] ZINC000295761878 353917338 /nfs/dbraw/zinc/91/73/38/353917338.db2.gz OKECDBBFTLKWMR-UHFFFAOYSA-N 0 0 280.284 0.884 20 5 CCBDRN O=C(NCc1nnc(C2CC2)[nH]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000296280568 353939370 /nfs/dbraw/zinc/93/93/70/353939370.db2.gz XJUVQHFCDCLGCD-UHFFFAOYSA-N 0 0 276.256 0.848 20 5 CCBDRN CONC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000298855715 353974478 /nfs/dbraw/zinc/97/44/78/353974478.db2.gz HJINCJBWKFUSRU-UHFFFAOYSA-N 0 0 255.230 0.964 20 5 CCBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1 ZINC000299091781 353990339 /nfs/dbraw/zinc/99/03/39/353990339.db2.gz MFVDPIHFHMMGAP-VIFPVBQESA-N 0 0 286.309 0.910 20 5 CCBDRN Cc1cc(C(=O)N[C@@H]2COC[C@H]2O)cc([N+](=O)[O-])c1 ZINC000296767173 353958263 /nfs/dbraw/zinc/95/82/63/353958263.db2.gz CDSUIIUHFKCGKR-GHMZBOCLSA-N 0 0 266.253 0.393 20 5 CCBDRN Cc1n[nH]c(C(=O)NCCCn2cccn2)c1[N+](=O)[O-] ZINC000299435494 354016210 /nfs/dbraw/zinc/01/62/10/354016210.db2.gz HEHUHAMXMDCOCH-UHFFFAOYSA-N 0 0 278.272 0.643 20 5 CCBDRN Cn1ccnc1Sc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301109264 354070202 /nfs/dbraw/zinc/07/02/02/354070202.db2.gz UGCFQWBISCHXFS-UHFFFAOYSA-N 0 0 279.281 0.973 20 5 CCBDRN CC(=O)N1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000556929244 291017256 /nfs/dbraw/zinc/01/72/56/291017256.db2.gz BOGGJKUTAWNBGB-SNVBAGLBSA-N 0 0 292.295 0.588 20 5 CCBDRN CCOC(=O)c1ccnc(N(C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000161869606 188548924 /nfs/dbraw/zinc/54/89/24/188548924.db2.gz AXKAKSRAKBZLJC-QMMMGPOBSA-N 0 0 283.284 0.984 20 5 CCBDRN CC(C)(C(=O)NC[C@H]1CCC[C@@H]1O)n1cc([N+](=O)[O-])cn1 ZINC000304386585 354116651 /nfs/dbraw/zinc/11/66/51/354116651.db2.gz ZTWDMYSKIFEJPO-KOLCDFICSA-N 0 0 296.327 0.804 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](O)C(C)(C)C ZINC000305721327 354155215 /nfs/dbraw/zinc/15/52/15/354155215.db2.gz JWYAMESHGBMYJP-MRVPVSSYSA-N 0 0 270.289 0.465 20 5 CCBDRN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CCS1(=O)=O ZINC000310855806 354193018 /nfs/dbraw/zinc/19/30/18/354193018.db2.gz MXUHZLNPCFWLQQ-VXNVDRBHSA-N 0 0 271.298 0.977 20 5 CCBDRN C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[C@H]1O ZINC000310915017 354193769 /nfs/dbraw/zinc/19/37/69/354193769.db2.gz DWFSOBYJYCQSAA-VXNVDRBHSA-N 0 0 252.274 0.779 20 5 CCBDRN Cn1c(C(=O)N2Cc3c[nH]nc3C2)ccc1[N+](=O)[O-] ZINC000312041011 354205724 /nfs/dbraw/zinc/20/57/24/354205724.db2.gz RGRRAHWPQXFAOI-UHFFFAOYSA-N 0 0 261.241 0.812 20 5 CCBDRN O=[N+]([O-])c1cnccc1N1CCC(O)(CO)CC1 ZINC000313630012 354216805 /nfs/dbraw/zinc/21/68/05/354216805.db2.gz OVXXNMCCCNLMLM-UHFFFAOYSA-N 0 0 253.258 0.313 20 5 CCBDRN O=[N+]([O-])c1cncc(Cl)c1N1C[C@H](CO)[C@H](O)C1 ZINC000317539779 354226136 /nfs/dbraw/zinc/22/61/36/354226136.db2.gz XWJJMLPUWVNVKD-HZGVNTEJSA-N 0 0 273.676 0.433 20 5 CCBDRN CO[C@H]1C[C@@H](C(N)=O)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330522131 354392478 /nfs/dbraw/zinc/39/24/78/354392478.db2.gz JQKFFAFGSYKEIO-UWVGGRQHSA-N 0 0 283.288 0.416 20 5 CCBDRN COC(=O)C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331066063 354435652 /nfs/dbraw/zinc/43/56/52/354435652.db2.gz PWJGZJFQCYKKMZ-UHFFFAOYSA-N 0 0 282.300 0.713 20 5 CCBDRN CC[C@](C)(O)CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000330550049 354406950 /nfs/dbraw/zinc/40/69/50/354406950.db2.gz BADYZXXVQKOJCU-JTQLQIEISA-N 0 0 256.262 0.219 20 5 CCBDRN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCOCC1 ZINC000330558218 354411978 /nfs/dbraw/zinc/41/19/78/354411978.db2.gz QURAQRXDLJRVGE-SNVBAGLBSA-N 0 0 296.327 0.384 20 5 CCBDRN C[C@@H]1CC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000331088568 354445596 /nfs/dbraw/zinc/44/55/96/354445596.db2.gz TWZDXXCHNGQABN-RKDXNWHRSA-N 0 0 267.289 0.739 20 5 CCBDRN CO[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1OC ZINC000331109400 354452716 /nfs/dbraw/zinc/45/27/16/354452716.db2.gz BCSSBMNCFVZHMS-PHIMTYICSA-N 0 0 298.299 0.054 20 5 CCBDRN CN1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000331124717 354458029 /nfs/dbraw/zinc/45/80/29/354458029.db2.gz YNKGNVQJLDRFRL-LBPRGKRZSA-N 0 0 291.307 0.874 20 5 CCBDRN NC(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331151901 354468203 /nfs/dbraw/zinc/46/82/03/354468203.db2.gz OONYGURNFGAIBS-UHFFFAOYSA-N 0 0 253.262 0.963 20 5 CCBDRN CN(CC(=O)OC(C)(C)C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000271746675 191303146 /nfs/dbraw/zinc/30/31/46/191303146.db2.gz TUFFLCNAGZQNHU-UHFFFAOYSA-N 0 0 283.288 0.745 20 5 CCBDRN CO[C@H](C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000331280434 354516415 /nfs/dbraw/zinc/51/64/15/354516415.db2.gz UCZJFWZFMITASP-MRVPVSSYSA-N 0 0 270.289 0.678 20 5 CCBDRN NC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000531885650 358487308 /nfs/dbraw/zinc/48/73/08/358487308.db2.gz COKKLOXOOXMRJI-UHFFFAOYSA-N 0 0 290.235 0.612 20 5 CCBDRN C[C@@H](C(=O)N(C)[C@@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000557587753 291036961 /nfs/dbraw/zinc/03/69/61/291036961.db2.gz PIVSNONPASRAML-OASPWFOLSA-N 0 0 294.307 0.916 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2n[nH]cc2C1 ZINC000332210603 354629580 /nfs/dbraw/zinc/62/95/80/354629580.db2.gz GGNOZDXFVSXQHM-UHFFFAOYSA-N 0 0 276.256 0.099 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCn2ccnc2C1 ZINC000332226725 354631432 /nfs/dbraw/zinc/63/14/32/354631432.db2.gz KSULNVHWTKEMMT-UHFFFAOYSA-N 0 0 276.256 0.030 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000331558586 354606565 /nfs/dbraw/zinc/60/65/65/354606565.db2.gz JFCDYCJRDYEHQX-UWVGGRQHSA-N 0 0 295.299 0.356 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2CO)n1 ZINC000332742371 354733827 /nfs/dbraw/zinc/73/38/27/354733827.db2.gz ZZLZDYNTYMVKRD-MRVPVSSYSA-N 0 0 268.273 0.408 20 5 CCBDRN COC(C)(C)CN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000532017253 358490809 /nfs/dbraw/zinc/49/08/09/358490809.db2.gz DDKAOSFSJCRKRT-UHFFFAOYSA-N 0 0 299.331 0.858 20 5 CCBDRN O=C(NC[C@H]1C[NH2+]CCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000423984031 235130514 /nfs/dbraw/zinc/13/05/14/235130514.db2.gz BAUVORYMTPLAQM-SECBINFHSA-N 0 0 281.268 0.019 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]1CCO ZINC000336790053 355162420 /nfs/dbraw/zinc/16/24/20/355162420.db2.gz VQUHCATZTNZLJM-QMMMGPOBSA-N 0 0 253.258 0.910 20 5 CCBDRN CC(C)[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000172992457 188837727 /nfs/dbraw/zinc/83/77/27/188837727.db2.gz WPDXAHNFLKQCBR-LBPRGKRZSA-N 0 0 279.296 0.763 20 5 CCBDRN CC(C)(C(=O)NCCn1cccn1)n1cc([N+](=O)[O-])cn1 ZINC000338824363 355430875 /nfs/dbraw/zinc/43/08/75/355430875.db2.gz KYASDFYZOKIEOT-UHFFFAOYSA-N 0 0 292.299 0.539 20 5 CCBDRN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000339139466 355493320 /nfs/dbraw/zinc/49/33/20/355493320.db2.gz FWTWOTLFHKKBJQ-AAEUAGOBSA-N 0 0 282.296 0.930 20 5 CCBDRN Cc1cc(NCCCCS(C)(=O)=O)ncc1[N+](=O)[O-] ZINC000425261181 235277783 /nfs/dbraw/zinc/27/77/83/235277783.db2.gz CNRBFHUOJLEKAR-UHFFFAOYSA-N 0 0 287.341 0.957 20 5 CCBDRN CCN(C[C@@H](C)O)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000341339789 355656335 /nfs/dbraw/zinc/65/63/35/355656335.db2.gz NPTMLFZOZCCFTM-MRVPVSSYSA-N 0 0 255.274 0.776 20 5 CCBDRN CNC(=O)N[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000341546525 355690584 /nfs/dbraw/zinc/69/05/84/355690584.db2.gz YWYPNLQQUXDJDR-JTQLQIEISA-N 0 0 292.295 0.738 20 5 CCBDRN C[C@]1(CO)CCC[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558765932 291072798 /nfs/dbraw/zinc/07/27/98/291072798.db2.gz XMLDRXLIVKLDIY-GZMMTYOYSA-N 0 0 268.273 0.599 20 5 CCBDRN C[C@H]1C[C@@H](CO)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000426167975 235327192 /nfs/dbraw/zinc/32/71/92/235327192.db2.gz WWPVIPKHJDHPRB-IUCAKERBSA-N 0 0 294.311 0.805 20 5 CCBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H]2COCC[C@H]21 ZINC000558755887 291072192 /nfs/dbraw/zinc/07/21/92/291072192.db2.gz UYLXJIWIGWWUIX-PSASIEDQSA-N 0 0 280.284 0.959 20 5 CCBDRN NC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558763313 291072281 /nfs/dbraw/zinc/07/22/81/291072281.db2.gz DLFKJYMNEYXORF-IONNQARKSA-N 0 0 295.299 0.482 20 5 CCBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[S@](=O)C1 ZINC000342743577 355734361 /nfs/dbraw/zinc/73/43/61/355734361.db2.gz QFZGXMXJEHMJAS-DGIBIBHMSA-N 0 0 282.321 0.775 20 5 CCBDRN CC[C@](C)(CCO)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000272572332 191795254 /nfs/dbraw/zinc/79/52/54/191795254.db2.gz ZGLGYNYISQZTPV-GFCCVEGCSA-N 0 0 284.316 0.767 20 5 CCBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[S@](=O)C1 ZINC000342747539 355735442 /nfs/dbraw/zinc/73/54/42/355735442.db2.gz YWFXVPPWYMXIJR-OVWNDWIMSA-N 0 0 282.321 0.775 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)C2CC2)n1 ZINC000427632833 235373720 /nfs/dbraw/zinc/37/37/20/235373720.db2.gz GHJPSMSVCCTRCR-VIFPVBQESA-N 0 0 268.273 0.312 20 5 CCBDRN COC[C@H](CCO)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000272630803 191835160 /nfs/dbraw/zinc/83/51/60/191835160.db2.gz AHKDLNOKXOGHRI-QMMMGPOBSA-N 0 0 284.272 0.509 20 5 CCBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000427855846 235384288 /nfs/dbraw/zinc/38/42/88/235384288.db2.gz UJBFLANFJDZKFB-FFVOIRBGSA-N 0 0 298.320 0.854 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[C@H](F)C1 ZINC000345597003 355860623 /nfs/dbraw/zinc/86/06/23/355860623.db2.gz YZIPJKHGYFSKQS-IUCAKERBSA-N 0 0 283.259 0.763 20 5 CCBDRN Cc1cccc(C(=O)N2CC(=O)N(C)C(=O)C2)c1[N+](=O)[O-] ZINC000559272691 291079606 /nfs/dbraw/zinc/07/96/06/291079606.db2.gz FGUGQPDCXKZWRJ-UHFFFAOYSA-N 0 0 291.263 0.344 20 5 CCBDRN COCCOC[C@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000359356168 137947505 /nfs/dbraw/zinc/94/75/05/137947505.db2.gz JKGZPVIEAXOVSD-ZETCQYMHSA-N 0 0 286.288 0.408 20 5 CCBDRN C[C@@H]1COCCN1CCNc1ccncc1[N+](=O)[O-] ZINC000352636084 356037843 /nfs/dbraw/zinc/03/78/43/356037843.db2.gz HJFRBIAPUNXBPU-SNVBAGLBSA-N 0 0 266.301 0.544 20 5 CCBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC(O)C1 ZINC000532228163 358500470 /nfs/dbraw/zinc/50/04/70/358500470.db2.gz DSDXKFCNTFITRV-UHFFFAOYSA-N 0 0 266.209 0.140 20 5 CCBDRN COC(=O)CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000359786730 137965614 /nfs/dbraw/zinc/96/56/14/137965614.db2.gz FKGQGZAORUNHMK-UHFFFAOYSA-N 0 0 282.256 0.255 20 5 CCBDRN O=C(NCCn1ncnn1)c1csc([N+](=O)[O-])c1 ZINC000353025952 356141262 /nfs/dbraw/zinc/14/12/62/356141262.db2.gz JMOIRDNQPQLULU-UHFFFAOYSA-N 0 0 268.258 0.073 20 5 CCBDRN CN1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000353044983 356145415 /nfs/dbraw/zinc/14/54/15/356145415.db2.gz QUGXVZOXPNRARS-UHFFFAOYSA-N 0 0 278.268 0.265 20 5 CCBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H](O)C12CCCC2 ZINC000353073441 356151751 /nfs/dbraw/zinc/15/17/51/356151751.db2.gz VRSFCUJXVOMDAR-JTQLQIEISA-N 0 0 294.311 0.848 20 5 CCBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000353390201 356214317 /nfs/dbraw/zinc/21/43/17/356214317.db2.gz ZBQWDKPBMKGIQL-GFCCVEGCSA-N 0 0 293.283 0.060 20 5 CCBDRN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H](CO)CC1 ZINC000293626797 198708812 /nfs/dbraw/zinc/70/88/12/198708812.db2.gz IQLKOBYBMGJYJJ-SECBINFHSA-N 0 0 295.295 0.930 20 5 CCBDRN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cnn(C)c1 ZINC000174757165 188916672 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C[C@@H]1CC[C@@H](Nc2c([N+](=O)[O-])cnn2C)CS1(=O)=O ZINC001186952159 844624663 /nfs/dbraw/zinc/62/46/63/844624663.db2.gz ITWUSHVZAVEMGU-HTQZYQBOSA-N 0 0 288.329 0.706 20 5 CCBDRN CCOCCC(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093520117 841306493 /nfs/dbraw/zinc/30/64/93/841306493.db2.gz MNPIIMKMRXTKCF-UHFFFAOYSA-N 0 0 282.300 0.945 20 5 CCBDRN Cc1ccc(NCCNC(=O)CC(N)=O)c([N+](=O)[O-])c1 ZINC001093538129 841325756 /nfs/dbraw/zinc/32/57/56/841325756.db2.gz AAOBFBCJVLOIGE-UHFFFAOYSA-N 0 0 280.284 0.307 20 5 CCBDRN Cc1cnc(NCCNC(=O)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC001093582548 841350347 /nfs/dbraw/zinc/35/03/47/841350347.db2.gz WXINDHQYGBPBDT-UHFFFAOYSA-N 0 0 296.327 0.987 20 5 CCBDRN [NH3+]Cc1nccnc1[N-]c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001171441989 841622453 /nfs/dbraw/zinc/62/24/53/841622453.db2.gz YXFRXIDFHXOVFA-UHFFFAOYSA-N 0 0 296.674 0.874 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000716756874 841678142 /nfs/dbraw/zinc/67/81/42/841678142.db2.gz WFBGICSCBAZTBK-SECBINFHSA-N 0 0 279.300 0.751 20 5 CCBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](CO)C1 ZINC001171588642 841732765 /nfs/dbraw/zinc/73/27/65/841732765.db2.gz FUOPVONYLNQYJZ-OCAPTIKFSA-N 0 0 265.269 0.678 20 5 CCBDRN CCC[C@@H](CCO)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC001171528193 841733576 /nfs/dbraw/zinc/73/35/76/841733576.db2.gz JORBEOPNEJDUAG-JTQLQIEISA-N 0 0 284.316 0.767 20 5 CCBDRN COc1ccc([N+](=O)[O-])c(NC[C@H]2CCC(=O)N2)n1 ZINC000147719876 842184692 /nfs/dbraw/zinc/18/46/92/842184692.db2.gz PKXMAUCIYNBTLO-SSDOTTSWSA-N 0 0 266.257 0.689 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCC[C@@H](O)C1CCCC1 ZINC001174729291 842203856 /nfs/dbraw/zinc/20/38/56/842203856.db2.gz RDTQESYQVAIBPM-LLVKDONJSA-N 0 0 296.327 0.849 20 5 CCBDRN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1COCC[C@H]1O ZINC001174878208 842216459 /nfs/dbraw/zinc/21/64/59/842216459.db2.gz MYONLNSOGIFNFO-GHMZBOCLSA-N 0 0 298.270 0.542 20 5 CCBDRN Nc1nccc(C(=O)NCCc2cc[nH]n2)c1[N+](=O)[O-] ZINC001176542128 842381145 /nfs/dbraw/zinc/38/11/45/842381145.db2.gz HGMCVYQTRNQPOM-UHFFFAOYSA-N 0 0 276.256 0.268 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(C)(C)O)C2)n1 ZINC001177221455 842525128 /nfs/dbraw/zinc/52/51/28/842525128.db2.gz QISVSIDUBHEYRS-SECBINFHSA-N 0 0 296.327 0.951 20 5 CCBDRN CCOCCOCC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001177806349 842684256 /nfs/dbraw/zinc/68/42/56/842684256.db2.gz NTANONUSQWDOCB-UHFFFAOYSA-N 0 0 258.234 0.310 20 5 CCBDRN CC(=O)N[C@@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)C(C)C ZINC001177806649 842684477 /nfs/dbraw/zinc/68/44/77/842684477.db2.gz ZYCKUEGJEKXFSZ-SECBINFHSA-N 0 0 269.261 0.417 20 5 CCBDRN COC(=O)[C@@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]2C[C@H]21 ZINC001178581095 842875942 /nfs/dbraw/zinc/87/59/42/842875942.db2.gz NZESWWLDWJQOBG-CWKFCGSDSA-N 0 0 294.267 0.245 20 5 CCBDRN O=C(N[C@H](CO)c1ncc[nH]1)c1ccc([N+](=O)[O-])o1 ZINC001179168162 842969501 /nfs/dbraw/zinc/96/95/01/842969501.db2.gz UVZOSWDVIUOTQF-ZCFIWIBFSA-N 0 0 266.213 0.374 20 5 CCBDRN C[C@@H](CNC(=O)[C@@H]1CC(=O)N1)c1ccccc1[N+](=O)[O-] ZINC001179398260 842994596 /nfs/dbraw/zinc/99/45/96/842994596.db2.gz GBJJCCUUOLIRHM-WPRPVWTQSA-N 0 0 277.280 0.703 20 5 CCBDRN O=C(NC[C@@H](O)CO)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001179853975 843064706 /nfs/dbraw/zinc/06/47/06/843064706.db2.gz MODUAPPNALVECM-ZCFIWIBFSA-N 0 0 292.650 0.470 20 5 CCBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NC1CC(CCO)C1 ZINC001180256640 843133823 /nfs/dbraw/zinc/13/38/23/843133823.db2.gz FRPHZIBKMWFCOC-UHFFFAOYSA-N 0 0 282.300 0.459 20 5 CCBDRN COC(=O)/C=C/[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001181326489 843458893 /nfs/dbraw/zinc/45/88/93/843458893.db2.gz HBVWPMUKBOKKMB-SDLBARTOSA-N 0 0 295.251 0.543 20 5 CCBDRN COC(=O)/C=C/[C@@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001181326488 843459072 /nfs/dbraw/zinc/45/90/72/843459072.db2.gz HBVWPMUKBOKKMB-KGGZQZJCSA-N 0 0 295.251 0.543 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)/C=C/C(=O)OC)n1 ZINC001181328905 843460355 /nfs/dbraw/zinc/46/03/55/843460355.db2.gz WTTWWNULCGAOJK-HQZHTGGTSA-N 0 0 296.283 0.659 20 5 CCBDRN O=C(NN1CN=NC1=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001183070727 843963576 /nfs/dbraw/zinc/96/35/76/843963576.db2.gz UBIFQKMRBFBMEK-UWVGGRQHSA-N 0 0 289.251 0.766 20 5 CCBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)Cc2c[nH]nc21 ZINC001187270893 844683986 /nfs/dbraw/zinc/68/39/86/844683986.db2.gz HFVDWIWMJUFDOB-LURJTMIESA-N 0 0 275.272 0.814 20 5 CCBDRN Cc1cc(N(C)CCS(N)(=O)=O)c(F)cc1[N+](=O)[O-] ZINC001187502739 844733359 /nfs/dbraw/zinc/73/33/59/844733359.db2.gz HALGSNDAIGZOGG-UHFFFAOYSA-N 0 0 291.304 0.767 20 5 CCBDRN Cn1nnnc1CCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC001188823782 844984841 /nfs/dbraw/zinc/98/48/41/844984841.db2.gz XGYSPMBMVSHLPM-UHFFFAOYSA-N 0 0 284.663 0.176 20 5 CCBDRN C[C@H](Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-])S(C)(=O)=O ZINC001189416138 845134718 /nfs/dbraw/zinc/13/47/18/845134718.db2.gz KSQDJRXWEUSPAQ-RXMQYKEDSA-N 0 0 278.246 0.133 20 5 CCBDRN 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297.286 0.796 20 5 CCBDRN CC(=O)N(CCO)CCNc1ccccc1[N+](=O)[O-] ZINC001111422052 849666279 /nfs/dbraw/zinc/66/62/79/849666279.db2.gz FQOBYLQTZBBMTE-UHFFFAOYSA-N 0 0 267.285 0.848 20 5 CCBDRN Cc1oncc1CN1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042705579 850740373 /nfs/dbraw/zinc/74/03/73/850740373.db2.gz JJJZFNMEDRCTOS-VXGBXAGGSA-N 0 0 294.311 0.291 20 5 CCBDRN Cn1ccnc1C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001137337429 853069542 /nfs/dbraw/zinc/06/95/42/853069542.db2.gz ILEJOFNAOKIWOK-IJLUTSLNSA-N 0 0 292.339 0.866 20 5 CCBDRN CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](CO)C1 ZINC000699435536 855627518 /nfs/dbraw/zinc/62/75/18/855627518.db2.gz RZRGKSSBGCFHKU-QMMMGPOBSA-N 0 0 285.325 0.405 20 5 CCBDRN CC(=O)NCCOCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001115162899 855649505 /nfs/dbraw/zinc/64/95/05/855649505.db2.gz AQZZRYMTNPYUEI-UHFFFAOYSA-N 0 0 282.300 0.579 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ncccn1 ZINC001115904726 855703387 /nfs/dbraw/zinc/70/33/87/855703387.db2.gz 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O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cncc(F)c1 ZINC001326996597 914308376 /nfs/dbraw/zinc/30/83/76/914308376.db2.gz JQMYSSDQUNUTDL-UHFFFAOYSA-N 0 0 292.226 0.929 20 5 CCBDRN C[C@@H](O)[C@H](O)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001168763765 899184820 /nfs/dbraw/zinc/18/48/20/899184820.db2.gz FLZMTKUAVGSGRT-BXKDBHETSA-N 0 0 297.311 0.255 20 5 CCBDRN COC1(c2noc([C@@H]3CC3[N+](=O)[O-])n2)CCOCC1 ZINC001327075644 914355941 /nfs/dbraw/zinc/35/59/41/914355941.db2.gz WIZFKLIWWDDRFB-HTQZYQBOSA-N 0 0 269.257 0.854 20 5 CCBDRN CC[C@H](O)CCCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001136993569 899865795 /nfs/dbraw/zinc/86/57/95/899865795.db2.gz QEJZWQIIHFPMFQ-JTQLQIEISA-N 0 0 284.316 0.767 20 5 CCBDRN CN(C)C(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC001299322437 899900891 /nfs/dbraw/zinc/90/08/91/899900891.db2.gz VOECUUUCCUDZJS-QMMMGPOBSA-N 0 0 280.284 0.473 20 5 CCBDRN COC(=O)[C@@]1(C)CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC001187306624 900007343 /nfs/dbraw/zinc/00/73/43/900007343.db2.gz 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/nfs/dbraw/zinc/35/29/31/640352931.db2.gz WAZUQKWMGQAFPB-IJLUTSLNSA-N 0 0 264.281 0.810 20 5 CCBDRN C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCC1=O ZINC000839733617 640355212 /nfs/dbraw/zinc/35/52/12/640355212.db2.gz LBKIRSQYSCIDDZ-OPRDCNLKSA-N 0 0 269.301 0.169 20 5 CCBDRN CC(C)[C@@H](O)C(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839713309 640356247 /nfs/dbraw/zinc/35/62/47/640356247.db2.gz SMAVVMPEMMDAND-OPRDCNLKSA-N 0 0 258.318 0.811 20 5 CCBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2ncccc2F)CC1 ZINC000839716207 640356559 /nfs/dbraw/zinc/35/65/59/640356559.db2.gz NERLHZBOPCZJQL-MWLCHTKSSA-N 0 0 294.286 0.535 20 5 CCBDRN O=C(NC[C@@H](O)Cc1cccc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839779655 640364457 /nfs/dbraw/zinc/36/44/57/640364457.db2.gz KLNXSODRJCCJEI-QJPTWQEYSA-N 0 0 282.271 0.511 20 5 CCBDRN Cc1nn(C)c(C(=O)O[C@H](C)c2nncn2C)c1[N+](=O)[O-] ZINC000805425986 640390358 /nfs/dbraw/zinc/39/03/58/640390358.db2.gz LBORYPUWCAZOAA-SSDOTTSWSA-N 0 0 294.271 0.683 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)c1cscn1 ZINC000805520838 640400992 /nfs/dbraw/zinc/40/09/92/640400992.db2.gz GDDSDQKQCPLKJO-UHFFFAOYSA-N 0 0 296.264 0.825 20 5 CCBDRN C[C@H]1[C@@H](OC(=O)c2cc([N+](=O)[O-])cn2C)CC(=O)N1C ZINC000806066102 640455671 /nfs/dbraw/zinc/45/56/71/640455671.db2.gz MBOPIFJNUPVTGT-XVKPBYJWSA-N 0 0 281.268 0.709 20 5 CCBDRN O=C(O[C@@H]1CCC(=O)NC1=O)c1ccc([N+](=O)[O-])o1 ZINC000798566504 640500540 /nfs/dbraw/zinc/50/05/40/640500540.db2.gz KDNLYPVHUXQTJB-RXMQYKEDSA-N 0 0 268.181 0.150 20 5 CCBDRN Cc1cc(C(=O)O[C@H]2CCC(=O)NC2=O)ccc1[N+](=O)[O-] ZINC000798567481 640500589 /nfs/dbraw/zinc/50/05/89/640500589.db2.gz RZCSTNXSGKFKPK-JTQLQIEISA-N 0 0 292.247 0.865 20 5 CCBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1COCCO1 ZINC000801829833 640668562 /nfs/dbraw/zinc/66/85/62/640668562.db2.gz NMQHJEWPIFMQFZ-ZETCQYMHSA-N 0 0 299.258 0.461 20 5 CCBDRN Cn1c(C(=O)O[C@@H]2CCC(=O)NC2)ccc1[N+](=O)[O-] ZINC000809019130 640744461 /nfs/dbraw/zinc/74/44/61/640744461.db2.gz QGJOQWIAOFYDBG-SSDOTTSWSA-N 0 0 267.241 0.369 20 5 CCBDRN O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H](O)c1cccnc1 ZINC000803956310 640753538 /nfs/dbraw/zinc/75/35/38/640753538.db2.gz CDEVOMFESIJXET-NSHDSACASA-N 0 0 292.251 0.463 20 5 CCBDRN Nc1ccc(N2CCCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000804416313 640767258 /nfs/dbraw/zinc/76/72/58/640767258.db2.gz CMAWPHDURBKKBS-UHFFFAOYSA-N 0 0 250.258 0.503 20 5 CCBDRN NC(=O)[C@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804431631 640767439 /nfs/dbraw/zinc/76/74/39/640767439.db2.gz GUHCHSXEMNUBDJ-ZETCQYMHSA-N 0 0 280.240 0.815 20 5 CCBDRN NC(=O)NCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804460040 640768502 /nfs/dbraw/zinc/76/85/02/640768502.db2.gz FVZGUSOKOOZZRT-UHFFFAOYSA-N 0 0 269.217 0.583 20 5 CCBDRN C[S@@](=O)CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000804464835 640769146 /nfs/dbraw/zinc/76/91/46/640769146.db2.gz UBQCNJXPROXLGW-GOSISDBHSA-N 0 0 273.314 0.460 20 5 CCBDRN O=C(COc1cccc([N+](=O)[O-])c1)O[C@H]1CCC(=O)NC1 ZINC000809028573 640888221 /nfs/dbraw/zinc/88/82/21/640888221.db2.gz QIRAUNZTCCQMMJ-NSHDSACASA-N 0 0 294.263 0.795 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cnn(C)n2)n1 ZINC000809476519 640897615 /nfs/dbraw/zinc/89/76/15/640897615.db2.gz QCMFGOOZLSLLAQ-UHFFFAOYSA-N 0 0 276.216 0.174 20 5 CCBDRN Cn1cnc(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000811228126 640969449 /nfs/dbraw/zinc/96/94/49/640969449.db2.gz DDKCJBUQBGPRSO-UHFFFAOYSA-N 0 0 292.251 0.347 20 5 CCBDRN Nc1ccc(N2CC[C@@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000811837811 640989971 /nfs/dbraw/zinc/98/99/71/640989971.db2.gz FFPHHAZNFNJKCW-QPUJVOFHSA-N 0 0 267.285 0.357 20 5 CCBDRN O=C(CCc1ncccn1)OCCn1ccc([N+](=O)[O-])n1 ZINC000812605957 641007183 /nfs/dbraw/zinc/00/71/83/641007183.db2.gz IHQCQDVLAWWLMP-UHFFFAOYSA-N 0 0 291.267 0.757 20 5 CCBDRN C[C@@H](COC(=O)COCc1ccccn1)[N+](=O)[O-] ZINC000813103664 641022658 /nfs/dbraw/zinc/02/26/58/641022658.db2.gz DNQKMNUNGIOLIU-VIFPVBQESA-N 0 0 254.242 0.807 20 5 CCBDRN C[C@H](COC(=O)c1ccccc1OCC(N)=O)[N+](=O)[O-] ZINC000813115597 641024505 /nfs/dbraw/zinc/02/45/05/641024505.db2.gz WBOFRLMYWLZLEL-MRVPVSSYSA-N 0 0 282.252 0.373 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCC[C@@H]2CCNC2=O)n1 ZINC000813914175 641047655 /nfs/dbraw/zinc/04/76/55/641047655.db2.gz RCFJOOBQHMGCMG-ZETCQYMHSA-N 0 0 282.256 0.011 20 5 CCBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CNC(=O)c1ccccc1 ZINC000814036636 641053848 /nfs/dbraw/zinc/05/38/48/641053848.db2.gz HOKCGLPFISRXPY-VIFPVBQESA-N 0 0 266.253 0.625 20 5 CCBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000814043894 641054496 /nfs/dbraw/zinc/05/44/96/641054496.db2.gz LNCNJZUTCMNRRZ-SFYZADRCSA-N 0 0 256.258 0.206 20 5 CCBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CCCn1ccccc1=O ZINC000814046079 641055381 /nfs/dbraw/zinc/05/53/81/641055381.db2.gz BQHPUMXUUYMKOF-JTQLQIEISA-N 0 0 268.269 0.837 20 5 CCBDRN O=C(COc1ccccc1[N+](=O)[O-])O[C@H]1CNOC1 ZINC000816573826 641175178 /nfs/dbraw/zinc/17/51/78/641175178.db2.gz MNQWIBRYAORUEQ-QMMMGPOBSA-N 0 0 268.225 0.420 20 5 CCBDRN Cc1nc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)nn1C ZINC000816721803 641202657 /nfs/dbraw/zinc/20/26/57/641202657.db2.gz SAXJREFDEUZMHU-UHFFFAOYSA-N 0 0 276.256 0.866 20 5 CCBDRN O=[N+]([O-])c1ccc2nc(N3C[C@H](CO)[C@H](O)C3)sc2c1 ZINC000840335358 641244753 /nfs/dbraw/zinc/24/47/53/641244753.db2.gz JJXYYHFWTYLQHY-GMSGAONNSA-N 0 0 295.320 0.994 20 5 CCBDRN C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1noc(C(F)F)n1 ZINC000819574040 641420746 /nfs/dbraw/zinc/42/07/46/641420746.db2.gz UEFOROYRZLKQTA-VPENINKCSA-N 0 0 276.199 0.850 20 5 CCBDRN Nc1ccc(NC(=O)CCn2ccnn2)cc1[N+](=O)[O-] ZINC000819893455 641436966 /nfs/dbraw/zinc/43/69/66/641436966.db2.gz SPHALARCJPWPEA-UHFFFAOYSA-N 0 0 276.256 0.797 20 5 CCBDRN CO[C@@H](COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000820456819 641507239 /nfs/dbraw/zinc/50/72/39/641507239.db2.gz UZLGLZFKIYUUQO-LBPRGKRZSA-N 0 0 296.279 0.725 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCOC1(C)C ZINC000821110649 641567821 /nfs/dbraw/zinc/56/78/21/641567821.db2.gz TWVXHYGRDCOQHU-VIFPVBQESA-N 0 0 282.300 0.783 20 5 CCBDRN O=C(Nc1cccc2c1COC2=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840466472 641618790 /nfs/dbraw/zinc/61/87/90/641618790.db2.gz FMNLLNJFCZKWBO-GMSGAONNSA-N 0 0 262.221 0.961 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCc1cnn2c1CCC2 ZINC000822283967 641656344 /nfs/dbraw/zinc/65/63/44/641656344.db2.gz HLEGNNGMZAZODL-UHFFFAOYSA-N 0 0 292.255 0.072 20 5 CCBDRN Cc1ccc(CNC(=O)[C@@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000825648029 641901907 /nfs/dbraw/zinc/90/19/07/641901907.db2.gz KRPAIFLJYPWBBG-NSHDSACASA-N 0 0 291.307 0.998 20 5 CCBDRN CC(C)(CCC(=O)N1CCN([C@@H]2CCOC2)CC1)[N+](=O)[O-] ZINC000826881857 641966193 /nfs/dbraw/zinc/96/61/93/641966193.db2.gz DHKYGNLJVPTNKF-GFCCVEGCSA-N 0 0 299.371 0.755 20 5 CCBDRN O=C(C[C@H]1CCC(=O)N1)NCCc1ccccc1[N+](=O)[O-] ZINC000828831452 642123655 /nfs/dbraw/zinc/12/36/55/642123655.db2.gz ZCGDCFULHKJOBY-LLVKDONJSA-N 0 0 291.307 0.922 20 5 CCBDRN C[C@H](OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000835148935 642650460 /nfs/dbraw/zinc/65/04/60/642650460.db2.gz ZOJJPZLYJYTLEB-QMMMGPOBSA-N 0 0 294.263 0.975 20 5 CCBDRN C[C@@H]1[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])CC(=O)N1C ZINC000835438136 642663116 /nfs/dbraw/zinc/66/31/16/642663116.db2.gz YPXZSWVVJVUKEL-RKDXNWHRSA-N 0 0 272.301 0.984 20 5 CCBDRN C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)S(=O)(=O)C1 ZINC000835570858 642667167 /nfs/dbraw/zinc/66/71/67/642667167.db2.gz URHHDTDZXSFIFY-ZETCQYMHSA-N 0 0 299.308 0.599 20 5 CCBDRN CC[C@H](C)[C@@H](COC(=O)Cn1cnc([N+](=O)[O-])n1)OC ZINC000835626761 642670274 /nfs/dbraw/zinc/67/02/74/642670274.db2.gz FMBGCLKGZIGPCL-DTWKUNHWSA-N 0 0 286.288 0.791 20 5 CCBDRN Cc1nn(CCC(=O)O[C@H](C)C(N)=O)c(C)c1[N+](=O)[O-] ZINC000102505791 642703481 /nfs/dbraw/zinc/70/34/81/642703481.db2.gz ANPXTCPHSOTMFR-MRVPVSSYSA-N 0 0 284.272 0.215 20 5 CCBDRN COc1ccc(CC(=O)NOC(C)(C)CO)cc1[N+](=O)[O-] ZINC000836803291 642710722 /nfs/dbraw/zinc/71/07/22/642710722.db2.gz JAQWQORMRWKPMZ-UHFFFAOYSA-N 0 0 298.295 0.965 20 5 CCBDRN O=C(NC[C@H]1CCC[C@@H]1O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837281551 642732445 /nfs/dbraw/zinc/73/24/45/642732445.db2.gz IWJQZFFLKUGSQO-KGYLQXTDSA-N 0 0 294.307 0.905 20 5 CCBDRN Cc1ccn(CC(=O)OCCn2ccc([N+](=O)[O-])n2)n1 ZINC000837814460 642773080 /nfs/dbraw/zinc/77/30/80/642773080.db2.gz OWERXGVWQBOILZ-UHFFFAOYSA-N 0 0 279.256 0.540 20 5 CCBDRN C[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)NC1CCCC1 ZINC000840673100 642785819 /nfs/dbraw/zinc/78/58/19/642785819.db2.gz ZLOVOJGZYMWXFQ-SZEHBUNVSA-N 0 0 270.285 0.642 20 5 CCBDRN Cn1cnc(=O)n1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000840772908 642791780 /nfs/dbraw/zinc/79/17/80/642791780.db2.gz CDQUEMPWRYJNOU-JTQLQIEISA-N 0 0 264.241 0.224 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCCOCC1CCC1 ZINC000842069436 642874634 /nfs/dbraw/zinc/87/46/34/642874634.db2.gz QVCZAESOENCMCR-UHFFFAOYSA-N 0 0 284.272 0.546 20 5 CCBDRN Nc1ccc(C(=O)OC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000842391057 642896693 /nfs/dbraw/zinc/89/66/93/642896693.db2.gz ZVWRBUWNZJLNRM-GFCCVEGCSA-N 0 0 282.252 0.485 20 5 CCBDRN C[C@H](O)C(=O)OCCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000842636579 642918987 /nfs/dbraw/zinc/91/89/87/642918987.db2.gz IUUOZGOGBDZMGC-ZETCQYMHSA-N 0 0 288.231 0.210 20 5 CCBDRN C[C@H]1C(=O)N(C)CN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844108999 643155396 /nfs/dbraw/zinc/15/53/96/643155396.db2.gz VCJXQMYIDQCXOT-GZMMTYOYSA-N 0 0 293.279 0.275 20 5 CCBDRN Cc1nn(C)c(C(=O)OC[C@@H]2CCC(=O)N2)c1[N+](=O)[O-] ZINC000845109048 643272572 /nfs/dbraw/zinc/27/25/72/643272572.db2.gz XVWPQWRKNRAPSM-ZETCQYMHSA-N 0 0 282.256 0.072 20 5 CCBDRN O=C(OCc1cnn2c1CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000845898368 643360217 /nfs/dbraw/zinc/36/02/17/643360217.db2.gz HGOBSEQXGGTCTC-MWLCHTKSSA-N 0 0 265.269 0.928 20 5 CCBDRN Cn1cc([C@H]2N(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2(C)C)cn1 ZINC000846155293 643383056 /nfs/dbraw/zinc/38/30/56/643383056.db2.gz SGCKWJZKOPTXNW-GMTAPVOTSA-N 0 0 278.312 0.995 20 5 CCBDRN NC(=O)[C@@]1(NCc2cc(F)ccc2[N+](=O)[O-])CCOC1 ZINC000847051466 643483361 /nfs/dbraw/zinc/48/33/61/643483361.db2.gz HKLHUURNFYUFIB-GFCCVEGCSA-N 0 0 283.259 0.468 20 5 CCBDRN O=C(N[C@@H]1CCc2ccccc2NC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000847148274 643490539 /nfs/dbraw/zinc/49/05/39/643490539.db2.gz AYFLBLRGQDWGGY-YUSALJHKSA-N 0 0 289.291 0.721 20 5 CCBDRN COC(C)(C)C(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC000847783133 643554206 /nfs/dbraw/zinc/55/42/06/643554206.db2.gz UPESCXYRBRDPCS-UHFFFAOYSA-N 0 0 257.246 0.797 20 5 CCBDRN Cc1nnccc1C(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC000847783361 643554276 /nfs/dbraw/zinc/55/42/76/643554276.db2.gz CCXHHTXCVAAXNX-UHFFFAOYSA-N 0 0 277.240 0.784 20 5 CCBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])O[C@H]1CNOC1 ZINC000848056914 643579192 /nfs/dbraw/zinc/57/91/92/643579192.db2.gz KMOKVBBKBCLQFN-VIFPVBQESA-N 0 0 270.216 0.723 20 5 CCBDRN Nc1nccc(C(=O)OC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000848788746 643678838 /nfs/dbraw/zinc/67/88/38/643678838.db2.gz NWTRATFWCWIOFW-ZETCQYMHSA-N 0 0 267.241 0.908 20 5 CCBDRN C[C@@H](OC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)N(C)C ZINC000848786714 643679080 /nfs/dbraw/zinc/67/90/80/643679080.db2.gz LSSVASIWJMJLMD-ZCFIWIBFSA-N 0 0 282.256 0.206 20 5 CCBDRN O=[N+]([O-])c1cc(O)ccc1-n1cc([C@]2(O)CCOC2)nn1 ZINC000849150046 643714898 /nfs/dbraw/zinc/71/48/98/643714898.db2.gz JQZHJGANWMCSDF-LBPRGKRZSA-N 0 0 292.251 0.489 20 5 CCBDRN C[C@H](O)CCOC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000849623724 643747485 /nfs/dbraw/zinc/74/74/85/643747485.db2.gz ABRRIZBDMYSSAH-VIFPVBQESA-N 0 0 296.279 0.639 20 5 CCBDRN C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1nccn1C ZINC000851581405 643856272 /nfs/dbraw/zinc/85/62/72/643856272.db2.gz SKFWAEANVXWEJS-MRVPVSSYSA-N 0 0 279.256 0.829 20 5 CCBDRN O=[N+]([O-])c1cc(S(=O)(=O)NC2(CO)CC2)cs1 ZINC000851776150 643882778 /nfs/dbraw/zinc/88/27/78/643882778.db2.gz IAHLTEWFKHZISL-UHFFFAOYSA-N 0 0 278.311 0.460 20 5 CCBDRN NC(=O)CCn1cc([N+](=O)[O-])nc1Br ZINC000853064683 644071278 /nfs/dbraw/zinc/07/12/78/644071278.db2.gz KJGHONYBZLRHHQ-UHFFFAOYSA-N 0 0 263.051 0.429 20 5 CCBDRN C[C@@H](C[N+](=O)[O-])OC(=O)/C=C\c1ccc(C(N)=O)o1 ZINC000853127470 644077634 /nfs/dbraw/zinc/07/76/34/644077634.db2.gz SOADYIDGXKBUCJ-GLCRXLCDSA-N 0 0 268.225 0.600 20 5 CCBDRN C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1nc[nH]n1 ZINC000853218461 644091459 /nfs/dbraw/zinc/09/14/59/644091459.db2.gz MHIHLVQASFJXCQ-ZETCQYMHSA-N 0 0 294.271 0.949 20 5 CCBDRN Cc1nn(CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000853559457 644120768 /nfs/dbraw/zinc/12/07/68/644120768.db2.gz SVSYNDYXQGUROX-WDEREUQCSA-N 0 0 293.327 0.658 20 5 CCBDRN Cc1nn(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000853559455 644121370 /nfs/dbraw/zinc/12/13/70/644121370.db2.gz SVSYNDYXQGUROX-QWRGUYRKSA-N 0 0 293.327 0.658 20 5 CCBDRN Cc1noc(COC(=O)[C@@H]2CCN(C)C(=O)C2)c1[N+](=O)[O-] ZINC000853889018 644156582 /nfs/dbraw/zinc/15/65/82/644156582.db2.gz NEIHNSOSMVFZGA-MRVPVSSYSA-N 0 0 297.267 0.803 20 5 CCBDRN Cc1noc(COC(=O)/C=C/Cn2cncn2)c1[N+](=O)[O-] ZINC000853925624 644160457 /nfs/dbraw/zinc/16/04/57/644160457.db2.gz MKRCSIIWKSNMOW-NSCUHMNNSA-N 0 0 293.239 0.782 20 5 CCBDRN NC(=O)[C@H]1CC[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854494746 644214060 /nfs/dbraw/zinc/21/40/60/644214060.db2.gz GOUVGBSVFZCFTE-JGVFFNPUSA-N 0 0 278.268 0.627 20 5 CCBDRN Nc1ccc(NC(=O)CC2OCCO2)cc1[N+](=O)[O-] ZINC000854497741 644215634 /nfs/dbraw/zinc/21/56/34/644215634.db2.gz WXQTUCZVXCYWIB-UHFFFAOYSA-N 0 0 267.241 0.879 20 5 CCBDRN Cc1cc(C(=O)N[C@H]2CCNC2=O)c(N)c([N+](=O)[O-])c1 ZINC000855143437 644291346 /nfs/dbraw/zinc/29/13/46/644291346.db2.gz FYTQKFNMPZXXHC-QMMMGPOBSA-N 0 0 278.268 0.104 20 5 CCBDRN C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ncnn21 ZINC000855324383 644303513 /nfs/dbraw/zinc/30/35/13/644303513.db2.gz ZWGMFOUJWDYMEY-LXGUWJNJSA-N 0 0 251.246 0.065 20 5 CCBDRN C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856289121 644406589 /nfs/dbraw/zinc/40/65/89/644406589.db2.gz LAXRUBXUSBPMPU-SQNXGDPESA-N 0 0 278.308 0.932 20 5 CCBDRN Cn1cc(CCOC(=O)c2ccc([N+](=O)[O-])cc2N)nn1 ZINC000859442083 644697449 /nfs/dbraw/zinc/69/74/49/644697449.db2.gz HCEAZYFMAGDJNI-UHFFFAOYSA-N 0 0 291.267 0.705 20 5 CCBDRN NC(=O)[C@@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859665044 644718849 /nfs/dbraw/zinc/71/88/49/644718849.db2.gz LESVSLDGHONDJW-RYUDHWBXSA-N 0 0 279.296 0.578 20 5 CCBDRN O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1COC(=O)N1 ZINC000859906842 644740797 /nfs/dbraw/zinc/74/07/97/644740797.db2.gz NXVJZIRYHDZMIS-VIFPVBQESA-N 0 0 266.209 0.746 20 5 CCBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1COC(=O)N1 ZINC000859908828 644741045 /nfs/dbraw/zinc/74/10/45/644741045.db2.gz DUFQDKXVWWNNLQ-VIFPVBQESA-N 0 0 266.209 0.746 20 5 CCBDRN Cc1c(OC(=O)[C@@H]2CC[C@H](C(N)=O)O2)cccc1[N+](=O)[O-] ZINC000860479427 644804376 /nfs/dbraw/zinc/80/43/76/644804376.db2.gz ODSXVVMQTUUJOE-MNOVXSKESA-N 0 0 294.263 0.842 20 5 CCBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000860786351 644830085 /nfs/dbraw/zinc/83/00/85/644830085.db2.gz ADILIEQNJGCYLU-MRVPVSSYSA-N 0 0 294.263 0.864 20 5 CCBDRN Cn1c(C(=O)OC[C@@H]2CCCN2C(N)=O)ccc1[N+](=O)[O-] ZINC000860978116 644842743 /nfs/dbraw/zinc/84/27/43/644842743.db2.gz OVYAURRYDFWXDQ-QMMMGPOBSA-N 0 0 296.283 0.633 20 5 CCBDRN O=C(NC[C@@H]1COCO1)c1ccc([N+](=O)[O-])s1 ZINC000861962364 644947139 /nfs/dbraw/zinc/94/71/39/644947139.db2.gz JWLKXODUIVOECI-ZCFIWIBFSA-N 0 0 258.255 0.759 20 5 CCBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H](O)C1 ZINC000863186005 645067682 /nfs/dbraw/zinc/06/76/82/645067682.db2.gz KPBOBHXPZCOIGF-WRXNHJIOSA-N 0 0 266.257 0.073 20 5 CCBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000863284508 645074736 /nfs/dbraw/zinc/07/47/36/645074736.db2.gz AVFWBLJOXZAYRI-LDYMZIIASA-N 0 0 292.295 0.869 20 5 CCBDRN O=C(Cn1ncc([N+](=O)[O-])n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000863374075 645091127 /nfs/dbraw/zinc/09/11/27/645091127.db2.gz IXRMEMQRMUAPFY-ZJUUUORDSA-N 0 0 295.299 0.356 20 5 CCBDRN C[C@H]1CCCC[C@@H]1NC(=O)Cn1ncc([N+](=O)[O-])n1 ZINC000863375368 645091155 /nfs/dbraw/zinc/09/11/55/645091155.db2.gz PGVKJZGGJVSWCP-IUCAKERBSA-N 0 0 267.289 0.881 20 5 CCBDRN C[C@@H](C1CC1)N(C(=O)Cn1ncc([N+](=O)[O-])n1)C1CC1 ZINC000863374426 645091243 /nfs/dbraw/zinc/09/12/43/645091243.db2.gz PIIPRQUVZAJUPX-QMMMGPOBSA-N 0 0 279.300 0.976 20 5 CCBDRN O=C(Cn1nc([N+](=O)[O-])nc1Br)N1CCC1 ZINC000865388827 645362134 /nfs/dbraw/zinc/36/21/34/645362134.db2.gz DHBKYFXBQSHLEA-UHFFFAOYSA-N 0 0 290.077 0.181 20 5 CCBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000869806523 645928063 /nfs/dbraw/zinc/92/80/63/645928063.db2.gz CMKVPFHCVLLTID-FDYHWXHSSA-N 0 0 292.291 0.302 20 5 CCBDRN C[C@H](COC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)[N+](=O)[O-] ZINC000870378031 645987411 /nfs/dbraw/zinc/98/74/11/645987411.db2.gz ULFFRXJGFDIWDI-QYNIQEEDSA-N 0 0 287.190 0.541 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CC[S@@](=O)Cc1cnn(C)c1 ZINC000871610573 646158402 /nfs/dbraw/zinc/15/84/02/646158402.db2.gz JJIQTDFIVHWGHN-HXUWFJFHSA-N 0 0 297.340 0.782 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CC12CCC2 ZINC000874788368 646486944 /nfs/dbraw/zinc/48/69/44/646486944.db2.gz MAGPSVWLCCWZHY-VIFPVBQESA-N 0 0 250.258 0.850 20 5 CCBDRN O=[N+]([O-])c1cccc2c1CCN2CCn1cnnn1 ZINC000878299567 646889218 /nfs/dbraw/zinc/88/92/18/646889218.db2.gz URIBMVBXWSAZBV-UHFFFAOYSA-N 0 0 260.257 0.644 20 5 CCBDRN O=C(CCn1cc([N+](=O)[O-])cn1)OC[C@@H]1CCOC1 ZINC000128130853 647143672 /nfs/dbraw/zinc/14/36/72/647143672.db2.gz IQBSRKLWSPQJOR-SECBINFHSA-N 0 0 269.257 0.761 20 5 CCBDRN O=[N+]([O-])c1cccc([C@H](O)CN2CC=C[C@@H]2CO)c1 ZINC000880489429 647210884 /nfs/dbraw/zinc/21/08/84/647210884.db2.gz SQKHLUNPDLYABU-CHWSQXEVSA-N 0 0 264.281 0.861 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1C=CCC1 ZINC000881491469 647321444 /nfs/dbraw/zinc/32/14/44/647321444.db2.gz SQFUEHXSAJZSCJ-VIFPVBQESA-N 0 0 250.258 0.874 20 5 CCBDRN Cn1cc(CSCCS(C)(=O)=O)c([N+](=O)[O-])n1 ZINC000882117840 647372945 /nfs/dbraw/zinc/37/29/45/647372945.db2.gz MBWXRIACEYTOQZ-UHFFFAOYSA-N 0 0 279.343 0.606 20 5 CCBDRN O=[N+]([O-])c1c(F)nccc1N1C[C@@H]2C[C@]2(CO)C1 ZINC000882238827 647386496 /nfs/dbraw/zinc/38/64/96/647386496.db2.gz QHVHVEFVVZAKJU-WRWORJQWSA-N 0 0 253.233 0.948 20 5 CCBDRN C[C@@H](O)[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CCO1 ZINC000882469892 647410490 /nfs/dbraw/zinc/41/04/90/647410490.db2.gz VGZXMNCCJDISRC-VXNVDRBHSA-N 0 0 271.248 0.715 20 5 CCBDRN O=C(CCc1ccccn1)OCCn1cnc([N+](=O)[O-])n1 ZINC000131753930 647520313 /nfs/dbraw/zinc/52/03/13/647520313.db2.gz IGYZXWRFWIUGSB-UHFFFAOYSA-N 0 0 291.267 0.757 20 5 CCBDRN Cc1cc(C(=O)NCCNC(N)=O)cc([N+](=O)[O-])c1 ZINC000135107175 647764860 /nfs/dbraw/zinc/76/48/60/647764860.db2.gz OQGSBEPTVFNMIU-UHFFFAOYSA-N 0 0 266.257 0.301 20 5 CCBDRN Cc1nn(C)c(N2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c1[N+](=O)[O-] ZINC000884863326 647810204 /nfs/dbraw/zinc/81/02/04/647810204.db2.gz FCGHHFIRAFYGRJ-ZJUUUORDSA-N 0 0 293.327 0.836 20 5 CCBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@]12C[C@H]1COC2 ZINC000885496239 647858917 /nfs/dbraw/zinc/85/89/17/647858917.db2.gz GODHOZORGOAQCT-CABZTGNLSA-N 0 0 298.320 0.970 20 5 CCBDRN C[C@@H]1CO[C@H](C(=O)OCCn2cc([N+](=O)[O-])cn2)C1 ZINC000885574552 647862897 /nfs/dbraw/zinc/86/28/97/647862897.db2.gz LFDOZAOTRVEKMT-WPRPVWTQSA-N 0 0 269.257 0.760 20 5 CCBDRN O=[N+]([O-])c1cnn(C[C@H](O)CNOC2CCCC2)c1 ZINC000136998974 647902788 /nfs/dbraw/zinc/90/27/88/647902788.db2.gz OIZQKBZJZNFNNH-SNVBAGLBSA-N 0 0 270.289 0.616 20 5 CCBDRN O=C1CCN(Cc2cccnc2[N+](=O)[O-])C2(COC2)CN1 ZINC000886318119 647962224 /nfs/dbraw/zinc/96/22/24/647962224.db2.gz KBYCESYEUYFSFC-UHFFFAOYSA-N 0 0 292.295 0.081 20 5 CCBDRN O=C(NC[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000887473969 648115330 /nfs/dbraw/zinc/11/53/30/648115330.db2.gz JBAGKMMNQLRJBK-ZDCRXTMVSA-N 0 0 254.286 0.725 20 5 CCBDRN O=C(COc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCOC1=O ZINC000005677203 648317531 /nfs/dbraw/zinc/31/75/31/648317531.db2.gz ZUAMFPYYJOKUCF-SNVBAGLBSA-N 0 0 281.220 0.832 20 5 CCBDRN C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(N)=O ZINC000010531948 648328110 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279.252 0.108 20 5 CCBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H](O)C1 ZINC000085377510 179045134 /nfs/dbraw/zinc/04/51/34/179045134.db2.gz UTVWKWLFXYYRAC-JTQLQIEISA-N 0 0 280.280 0.957 20 5 CCBDRN C[C@@H](O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000119772742 349953026 /nfs/dbraw/zinc/95/30/26/349953026.db2.gz ZNHUMDZTPXQEQU-SSDOTTSWSA-N 0 0 256.233 0.773 20 5 CCBDRN C[C@H](CNc1ncccc1[N+](=O)[O-])S(C)(=O)=O ZINC000533127722 290784232 /nfs/dbraw/zinc/78/42/32/290784232.db2.gz XVCWXWYOPRJZFJ-SSDOTTSWSA-N 0 0 259.287 0.835 20 5 CCBDRN COC[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000602627324 362719263 /nfs/dbraw/zinc/71/92/63/362719263.db2.gz RBAAEOBISWNJJH-MWLCHTKSSA-N 0 0 284.316 0.564 20 5 CCBDRN CN1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000602714598 362766895 /nfs/dbraw/zinc/76/68/95/362766895.db2.gz HJLHYMJYGXOJBB-CYBMUJFWSA-N 0 0 265.313 0.703 20 5 CCBDRN Cc1n[nH]c(C(=O)N[C@@]2(C)CCO[C@H]2C)c1[N+](=O)[O-] ZINC000408187522 137847848 /nfs/dbraw/zinc/84/78/48/137847848.db2.gz OEKHGKGJQDHNDY-CPCISQLKSA-N 0 0 268.273 0.924 20 5 CCBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCOC1 ZINC000295600656 199582196 /nfs/dbraw/zinc/58/21/96/199582196.db2.gz XFMXLZYQTBLWEB-UHFFFAOYSA-N 0 0 272.282 0.882 20 5 CCBDRN C[C@H](O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000086014751 179215435 /nfs/dbraw/zinc/21/54/35/179215435.db2.gz JMNLLKAHEYJADO-QMMMGPOBSA-N 0 0 274.298 0.644 20 5 CCBDRN CC(C)(C(=O)Nc1cn[nH]c1)n1cc([N+](=O)[O-])cn1 ZINC000102331173 185774534 /nfs/dbraw/zinc/77/45/34/185774534.db2.gz FOOLVMGPRRSVML-UHFFFAOYSA-N 0 0 264.245 0.888 20 5 CCBDRN Cc1sc(C(=O)NCCCC(N)=O)cc1[N+](=O)[O-] ZINC000042925026 136756161 /nfs/dbraw/zinc/75/61/61/136756161.db2.gz BVQCSSTXLDLPQE-UHFFFAOYSA-N 0 0 271.298 0.960 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000046483821 136758176 /nfs/dbraw/zinc/75/81/76/136758176.db2.gz KWGPZHUDVOARAR-RYUDHWBXSA-N 0 0 294.311 0.961 20 5 CCBDRN C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602847605 362834330 /nfs/dbraw/zinc/83/43/30/362834330.db2.gz YJCRKWNMHQXWSB-UWVGGRQHSA-N 0 0 268.317 0.921 20 5 CCBDRN O=C(NCC1(CO)CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000160268179 136841604 /nfs/dbraw/zinc/84/16/04/136841604.db2.gz OPFYKOKXMNZHFO-UHFFFAOYSA-N 0 0 295.295 0.978 20 5 CCBDRN NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181202782 136892893 /nfs/dbraw/zinc/89/28/93/136892893.db2.gz FRKYDAVOBDJJLW-UHFFFAOYSA-N 0 0 275.167 0.620 20 5 CCBDRN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@](C)(O)CO)c1 ZINC000234551867 136963736 /nfs/dbraw/zinc/96/37/36/136963736.db2.gz WGHUAEWQLIAOKM-GFCCVEGCSA-N 0 0 284.268 0.537 20 5 CCBDRN COC[C@H](C)OC[C@@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000234800103 136964383 /nfs/dbraw/zinc/96/43/83/136964383.db2.gz ARHUBAODQPKREL-IUCAKERBSA-N 0 0 259.262 0.204 20 5 CCBDRN Cn1cnc(CCNc2ncc([N+](=O)[O-])s2)n1 ZINC000226775007 136955092 /nfs/dbraw/zinc/95/50/92/136955092.db2.gz NWIBTULKUQRFSX-UHFFFAOYSA-N 0 0 254.275 0.834 20 5 CCBDRN C[C@@H](CNc1ncc([N+](=O)[O-])s1)S(N)(=O)=O ZINC000309602999 137070944 /nfs/dbraw/zinc/07/09/44/137070944.db2.gz YAWWLSMGOXSYPL-BYPYZUCNSA-N 0 0 266.304 0.140 20 5 CCBDRN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000311569940 137074988 /nfs/dbraw/zinc/07/49/88/137074988.db2.gz MFOYXFGBQWYVAU-SSDOTTSWSA-N 0 0 291.304 0.750 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1CCO ZINC000311467242 137075034 /nfs/dbraw/zinc/07/50/34/137075034.db2.gz HUFQLHGPGKLDNR-VIFPVBQESA-N 0 0 268.273 0.165 20 5 CCBDRN O=C(CNc1ccncc1[N+](=O)[O-])NCC(F)F ZINC000340901731 137085988 /nfs/dbraw/zinc/08/59/88/137085988.db2.gz JNFDNPPYRWHANW-UHFFFAOYSA-N 0 0 260.200 0.205 20 5 CCBDRN CCCCN(CCCO)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000342316058 137087860 /nfs/dbraw/zinc/08/78/60/137087860.db2.gz CKDCIMKAOYUHIH-UHFFFAOYSA-N 0 0 285.304 0.197 20 5 CCBDRN CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1COC[C@H]1O ZINC000342381481 137090402 /nfs/dbraw/zinc/09/04/02/137090402.db2.gz ATVUFFHUDVXKHV-NKWVEPMBSA-N 0 0 272.282 0.488 20 5 CCBDRN COc1c(C(=O)N(C)[C@H]2COC[C@H]2O)cccc1[N+](=O)[O-] ZINC000342421710 137093425 /nfs/dbraw/zinc/09/34/25/137093425.db2.gz YBNWFBPHGDTKEL-WDEREUQCSA-N 0 0 296.279 0.435 20 5 CCBDRN CN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CCCOC1 ZINC000343265804 137123244 /nfs/dbraw/zinc/12/32/44/137123244.db2.gz CIEKITHLUPDQNO-ZETCQYMHSA-N 0 0 253.262 0.413 20 5 CCBDRN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC2(CO)CC2)n1 ZINC000342964129 137106571 /nfs/dbraw/zinc/10/65/71/137106571.db2.gz WIZNXHKQZDNXPT-UHFFFAOYSA-N 0 0 295.295 0.985 20 5 CCBDRN Cc1n[nH]c(C(=O)N2CCCC[C@@H]2CC(N)=O)c1[N+](=O)[O-] ZINC000343057201 137112735 /nfs/dbraw/zinc/11/27/35/137112735.db2.gz RSJOKAVTHIDHER-MRVPVSSYSA-N 0 0 295.299 0.496 20 5 CCBDRN Cc1nnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])n2C)[nH]1 ZINC000343343659 137129671 /nfs/dbraw/zinc/12/96/71/137129671.db2.gz NUHQLDWEHXHHBC-ZCFIWIBFSA-N 0 0 278.272 0.851 20 5 CCBDRN COCC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(N)=O ZINC000343347802 137130346 /nfs/dbraw/zinc/13/03/46/137130346.db2.gz RZEGCEMWIQHQFU-JTQLQIEISA-N 0 0 295.295 0.523 20 5 CCBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NCC[C@@H]1CCOC1 ZINC000344278262 137186988 /nfs/dbraw/zinc/18/69/88/137186988.db2.gz WBJQGLPXYJXTMI-SNVBAGLBSA-N 0 0 282.300 0.724 20 5 CCBDRN CC(=O)NCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000344194428 137182825 /nfs/dbraw/zinc/18/28/25/137182825.db2.gz NTMQXYKLPDXJGE-UHFFFAOYSA-N 0 0 290.279 0.942 20 5 CCBDRN CNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344428822 137194001 /nfs/dbraw/zinc/19/40/01/137194001.db2.gz HMJKZPVTWOPVTN-SECBINFHSA-N 0 0 264.285 0.952 20 5 CCBDRN COC(=O)c1ccc(OCC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000007129077 348006307 /nfs/dbraw/zinc/00/63/07/348006307.db2.gz XGNVWWQSCPCARB-UHFFFAOYSA-N 0 0 282.252 0.848 20 5 CCBDRN COC(=O)CCNC(=O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000019192785 348058308 /nfs/dbraw/zinc/05/83/08/348058308.db2.gz ZWKMDKCACYPCSE-UHFFFAOYSA-N 0 0 296.279 0.961 20 5 CCBDRN COCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000027967690 348104006 /nfs/dbraw/zinc/10/40/06/348104006.db2.gz AYZNOBKLOBIGPY-UHFFFAOYSA-N 0 0 274.298 0.828 20 5 CCBDRN C[C@@H](Cn1cncn1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000344809940 137214586 /nfs/dbraw/zinc/21/45/86/137214586.db2.gz FRCWETCGYXNNPC-QMMMGPOBSA-N 0 0 278.272 0.343 20 5 CCBDRN Cc1nn(CCN2C(=O)CCC2=O)c(C)c1[N+](=O)[O-] ZINC000031438106 348125409 /nfs/dbraw/zinc/12/54/09/348125409.db2.gz SLWYTGLBMDSGDC-UHFFFAOYSA-N 0 0 266.257 0.557 20 5 CCBDRN CC[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1O ZINC000270872956 190849854 /nfs/dbraw/zinc/84/98/54/190849854.db2.gz WRRVABDLVMLYMY-XPUUQOCRSA-N 0 0 254.246 0.161 20 5 CCBDRN C[C@H](C[S@](C)=O)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000344987567 137226176 /nfs/dbraw/zinc/22/61/76/137226176.db2.gz RESHNQWXEMEREA-MDTSDYNXSA-N 0 0 273.314 0.430 20 5 CCBDRN O=C(N[C@@H](CO)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000344858030 137217755 /nfs/dbraw/zinc/21/77/55/137217755.db2.gz GRTPQNGJAAYNPV-IUCAKERBSA-N 0 0 269.257 0.193 20 5 CCBDRN Cc1ccc(S(=O)(=O)NC[C@H](C)O)cc1[N+](=O)[O-] ZINC000035119296 348157662 /nfs/dbraw/zinc/15/76/62/348157662.db2.gz GPTHKDSHDHATBT-QMMMGPOBSA-N 0 0 274.298 0.562 20 5 CCBDRN COc1ccc(S(=O)(=O)NC[C@H](C)O)cc1[N+](=O)[O-] ZINC000035119229 348157820 /nfs/dbraw/zinc/15/78/20/348157820.db2.gz RTVIZEALHFVSOC-ZETCQYMHSA-N 0 0 290.297 0.263 20 5 CCBDRN COC(=O)[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)[C@@H]1C ZINC000345044005 137230389 /nfs/dbraw/zinc/23/03/89/137230389.db2.gz LQNGGTKTAQRVPR-SFYZADRCSA-N 0 0 268.273 0.716 20 5 CCBDRN CCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037897330 348217133 /nfs/dbraw/zinc/21/71/33/348217133.db2.gz HPHLHNOZHKPNDJ-UHFFFAOYSA-N 0 0 274.298 0.598 20 5 CCBDRN CCOC(=O)CN(CC)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000038015956 348224307 /nfs/dbraw/zinc/22/43/07/348224307.db2.gz XFZMUZOYPKOEFM-UHFFFAOYSA-N 0 0 283.284 0.959 20 5 CCBDRN COCCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000040609823 348239356 /nfs/dbraw/zinc/23/93/56/348239356.db2.gz HSXIUEONHSXJRU-UHFFFAOYSA-N 0 0 297.315 0.670 20 5 CCBDRN Cc1ocnc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000345136776 137235715 /nfs/dbraw/zinc/23/57/15/137235715.db2.gz QFAOQKZMWFIMPT-UHFFFAOYSA-N 0 0 265.229 0.404 20 5 CCBDRN COCCOCCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000345606686 137242480 /nfs/dbraw/zinc/24/24/80/137242480.db2.gz RCTMZNJPZTYVST-UHFFFAOYSA-N 0 0 272.261 0.101 20 5 CCBDRN C[C@H](Cn1ccnc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000042533427 348284116 /nfs/dbraw/zinc/28/41/16/348284116.db2.gz BXJYIFUHUWSVHA-SECBINFHSA-N 0 0 278.272 0.193 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@H]1C(F)F ZINC000345746532 137249997 /nfs/dbraw/zinc/24/99/97/137249997.db2.gz NNHBKVVXAYDBKD-RQJHMYQMSA-N 0 0 274.227 0.870 20 5 CCBDRN O=C(NCC[C@@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000346277195 137276470 /nfs/dbraw/zinc/27/64/70/137276470.db2.gz RPZBTVZFKHQWAH-ZCFIWIBFSA-N 0 0 281.190 0.966 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1ncc[nH]1 ZINC000346395815 137283885 /nfs/dbraw/zinc/28/38/85/137283885.db2.gz KYLFVNWQDRYGPY-UHFFFAOYSA-N 0 0 292.299 0.872 20 5 CCBDRN CNC(=O)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000043147550 348305868 /nfs/dbraw/zinc/30/58/68/348305868.db2.gz KVDBAUMUXDJVOK-UHFFFAOYSA-N 0 0 266.257 0.771 20 5 CCBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)[S@@]1=O ZINC000408343939 137868273 /nfs/dbraw/zinc/86/82/73/137868273.db2.gz UEGAZVVOSPSDLS-OKLBUMKZSA-N 0 0 285.325 0.904 20 5 CCBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCNC(=O)C1 ZINC000044969726 348331413 /nfs/dbraw/zinc/33/14/13/348331413.db2.gz ZUFIBEUDZLPEFP-UHFFFAOYSA-N 0 0 255.255 0.228 20 5 CCBDRN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346880564 137310080 /nfs/dbraw/zinc/31/00/80/137310080.db2.gz WQVCSGPGHGURJR-GLGDLZNWSA-N 0 0 285.325 0.904 20 5 CCBDRN NC(=O)C1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000346894018 137310694 /nfs/dbraw/zinc/31/06/94/137310694.db2.gz JAMAHDATBCDABD-UHFFFAOYSA-N 0 0 283.671 0.996 20 5 CCBDRN CCCN(CC(N)=O)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000346921826 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/nfs/dbraw/zinc/29/77/97/389297797.db2.gz XZIKSQUEQBTKJS-JTQLQIEISA-N 0 0 271.298 0.521 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[C@H](O)C1 ZINC000331052618 389298492 /nfs/dbraw/zinc/29/84/92/389298492.db2.gz JESRVZZZBLMSLO-UWVGGRQHSA-N 0 0 282.300 0.377 20 5 CCBDRN C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160090431 389379723 /nfs/dbraw/zinc/37/97/23/389379723.db2.gz NQGWEENAXUOHFW-VIFPVBQESA-N 0 0 279.296 0.982 20 5 CCBDRN C[C@@H]1C[C@@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000527472503 285337570 /nfs/dbraw/zinc/33/75/70/285337570.db2.gz KWAXATRSTBONGO-RKDXNWHRSA-N 0 0 265.269 0.766 20 5 CCBDRN C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349990809 389474051 /nfs/dbraw/zinc/47/40/51/389474051.db2.gz JQMPQUOVDYNLGL-WCBMZHEXSA-N 0 0 286.309 0.739 20 5 CCBDRN CCOC(=O)c1ccnc(-n2nnnc2C)c1[N+](=O)[O-] ZINC000274087533 389483876 /nfs/dbraw/zinc/48/38/76/389483876.db2.gz RKRHLAAROSQFCV-UHFFFAOYSA-N 0 0 278.228 0.451 20 5 CCBDRN O=[N+]([O-])c1ccc2ccnc(N3C[C@@H](O)[C@@H](O)C3)c2c1 ZINC000413267403 389487817 /nfs/dbraw/zinc/48/78/17/389487817.db2.gz PKSSPYYHPPWKND-TXEJJXNPSA-N 0 0 275.264 0.685 20 5 CCBDRN C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000172559270 389490344 /nfs/dbraw/zinc/49/03/44/389490344.db2.gz VZTHSGKMZLTCEH-VIFPVBQESA-N 0 0 298.320 0.854 20 5 CCBDRN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000269490680 389422164 /nfs/dbraw/zinc/42/21/64/389422164.db2.gz XSVMAIIDZSGLSX-SSDOTTSWSA-N 0 0 295.299 0.389 20 5 CCBDRN CCOC(=O)C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000349821574 389440626 /nfs/dbraw/zinc/44/06/26/389440626.db2.gz MNFSAUARMJJHGI-UHFFFAOYSA-N 0 0 281.268 0.996 20 5 CCBDRN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCC1=O ZINC000275435917 389510532 /nfs/dbraw/zinc/51/05/32/389510532.db2.gz VZEYDCMNOXOMAJ-ZCFIWIBFSA-N 0 0 251.246 0.382 20 5 CCBDRN CNC(=O)c1ccc(N[C@@H]2COC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000413454187 389513126 /nfs/dbraw/zinc/51/31/26/389513126.db2.gz HKOMOMIZVRPUMY-PWSUYJOCSA-N 0 0 295.295 0.780 20 5 CCBDRN COC(=O)[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)O ZINC000276420446 389516762 /nfs/dbraw/zinc/51/67/62/389516762.db2.gz GFJSZOUYPQWCHY-UFBFGSQYSA-N 0 0 298.295 0.615 20 5 CCBDRN CCC[C@H](O)[C@H](CO)Nc1ncc([N+](=O)[O-])s1 ZINC000413489296 389519972 /nfs/dbraw/zinc/51/99/72/389519972.db2.gz CKDIFNTXZJTTEH-BQBZGAKWSA-N 0 0 261.303 0.985 20 5 CCBDRN COC(=O)c1cnc(NCC2(C)OCCO2)c([N+](=O)[O-])c1 ZINC000276768891 389538630 /nfs/dbraw/zinc/53/86/30/389538630.db2.gz NBNGBCZNTSXQKC-UHFFFAOYSA-N 0 0 297.267 0.951 20 5 CCBDRN O=[N+]([O-])c1ncccc1OS(=O)(=O)C1COC1 ZINC000276870602 389547857 /nfs/dbraw/zinc/54/78/57/389547857.db2.gz HOUKCUOQJCHPNS-UHFFFAOYSA-N 0 0 260.227 0.097 20 5 CCBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1nc[nH]n1 ZINC000175932255 389550670 /nfs/dbraw/zinc/55/06/70/389550670.db2.gz CMYQBUBLEPFJRH-LURJTMIESA-N 0 0 276.256 0.786 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc[nH]n2)n1 ZINC000350900597 389554216 /nfs/dbraw/zinc/55/42/16/389554216.db2.gz BLNDKHYGXOWUPY-UHFFFAOYSA-N 0 0 261.201 0.768 20 5 CCBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C(=O)OC ZINC000176183944 389554317 /nfs/dbraw/zinc/55/43/17/389554317.db2.gz HANDVFOUZYCPHM-JTQLQIEISA-N 0 0 281.268 0.980 20 5 CCBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C2CC2)C1 ZINC000373599604 389500183 /nfs/dbraw/zinc/50/01/83/389500183.db2.gz VKESHTCFNPJEOX-NSHDSACASA-N 0 0 292.295 0.823 20 5 CCBDRN CN1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000351603830 389629750 /nfs/dbraw/zinc/62/97/50/389629750.db2.gz AZXPGTYQENZFFO-UHFFFAOYSA-N 0 0 282.231 0.997 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374426053 389578265 /nfs/dbraw/zinc/57/82/65/389578265.db2.gz BVUBSXBKDIFESJ-GHMZBOCLSA-N 0 0 294.311 0.676 20 5 CCBDRN C[C@@H]1CC(C)(C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000413974881 389587670 /nfs/dbraw/zinc/58/76/70/389587670.db2.gz OXJRCLMYADGLRP-MRVPVSSYSA-N 0 0 267.289 0.833 20 5 CCBDRN C[C@@H]1OCC[C@]1(O)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000279588345 389592286 /nfs/dbraw/zinc/59/22/86/389592286.db2.gz UXOYBQFYKAQTQJ-SDBXPKJASA-N 0 0 295.295 0.447 20 5 CCBDRN CNc1nc(C(=O)N[C@H]2C[C@@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000416285978 389725274 /nfs/dbraw/zinc/72/52/74/389725274.db2.gz IEWGMRXPXWDEAJ-OGXFKERWSA-N 0 0 280.284 0.675 20 5 CCBDRN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000416288683 389725347 /nfs/dbraw/zinc/72/53/47/389725347.db2.gz DJHZMKLTYULPBQ-VHSXEESVSA-N 0 0 296.327 0.450 20 5 CCBDRN C[C@@H](O)CN(CCO)Cc1csc([N+](=O)[O-])c1 ZINC000351938362 389719772 /nfs/dbraw/zinc/71/97/72/389719772.db2.gz PVKNKCKDUASJKJ-MRVPVSSYSA-N 0 0 260.315 0.831 20 5 CCBDRN C[C@H]1CCNC(=O)[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000282043406 389650089 /nfs/dbraw/zinc/65/00/89/389650089.db2.gz BSVIWMXXRDPUOE-RCOVLWMOSA-N 0 0 266.257 0.177 20 5 CCBDRN CC(C)(C)NC(=O)CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180503818 389670832 /nfs/dbraw/zinc/67/08/32/389670832.db2.gz AUWZHCNAPIBOTH-UHFFFAOYSA-N 0 0 295.299 0.217 20 5 CCBDRN CCNC(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000351783790 389680352 /nfs/dbraw/zinc/68/03/52/389680352.db2.gz FGBNPZRCWROKPR-UHFFFAOYSA-N 0 0 298.274 0.783 20 5 CCBDRN C[C@@]1(O)C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000416277431 389723472 /nfs/dbraw/zinc/72/34/72/389723472.db2.gz QOFAEYIUOGWNSE-OGXFKERWSA-N 0 0 265.269 0.820 20 5 CCBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H]1O ZINC000351854264 389699229 /nfs/dbraw/zinc/69/92/29/389699229.db2.gz NTLWHQNOQUZDKJ-RCOVLWMOSA-N 0 0 267.241 0.148 20 5 CCBDRN C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C(N)=O ZINC000352356603 389796568 /nfs/dbraw/zinc/79/65/68/389796568.db2.gz MOZAQFQSKJEMLH-ZETCQYMHSA-N 0 0 260.253 0.851 20 5 CCBDRN O=[N+]([O-])c1ccccc1CCNS(=O)(=O)N1CCC1 ZINC000352079297 389747465 /nfs/dbraw/zinc/74/74/65/389747465.db2.gz IKQWXEKNYZYSAS-UHFFFAOYSA-N 0 0 285.325 0.677 20 5 CCBDRN CNc1nccc(C(=O)NCCC(C)(C)CO)c1[N+](=O)[O-] ZINC000575071082 335061862 /nfs/dbraw/zinc/06/18/62/335061862.db2.gz NTZPMAUOVCZCRC-UHFFFAOYSA-N 0 0 296.327 0.592 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1CN(CCO)CC1CC1 ZINC000352469789 389816229 /nfs/dbraw/zinc/81/62/29/389816229.db2.gz ZCTOXUMMMXVMQL-UHFFFAOYSA-N 0 0 254.290 0.533 20 5 CCBDRN Cc1ccc(S(=O)(=O)N(C)CCCO)c([N+](=O)[O-])c1 ZINC000443100563 389874211 /nfs/dbraw/zinc/87/42/11/389874211.db2.gz FVIAAYWWKPMOJM-UHFFFAOYSA-N 0 0 288.325 0.906 20 5 CCBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCC2(O)CC2)c1 ZINC000442903038 389865699 /nfs/dbraw/zinc/86/56/99/389865699.db2.gz PGASCENWULSVDW-UHFFFAOYSA-N 0 0 282.252 0.458 20 5 CCBDRN COC(=O)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000443873001 389886746 /nfs/dbraw/zinc/88/67/46/389886746.db2.gz AEBLSJNZVOTYKE-UHFFFAOYSA-N 0 0 282.252 0.896 20 5 CCBDRN CC(=O)Nc1ccc(CNc2ncc([N+](=O)[O-])cn2)cn1 ZINC000432840469 389890671 /nfs/dbraw/zinc/89/06/71/389890671.db2.gz MJKVTCNCVSMLPF-UHFFFAOYSA-N 0 0 288.267 0.772 20 5 CCBDRN O=C(NCc1cccnn1)Nc1ccncc1[N+](=O)[O-] ZINC000444940193 389920717 /nfs/dbraw/zinc/92/07/17/389920717.db2.gz FACNAHLFEBKQJQ-UHFFFAOYSA-N 0 0 274.240 0.523 20 5 CCBDRN COc1cccc(C(=O)NCc2nnnn2C)c1[N+](=O)[O-] ZINC000445219723 389922705 /nfs/dbraw/zinc/92/27/05/389922705.db2.gz YPFDIRJEMYNFFJ-UHFFFAOYSA-N 0 0 292.255 0.057 20 5 CCBDRN Cc1cc(=O)n(Cc2ncnn2CC(F)F)cc1[N+](=O)[O-] ZINC000447291814 389950449 /nfs/dbraw/zinc/95/04/49/389950449.db2.gz ZDEUFWASDDJGPQ-UHFFFAOYSA-N 0 0 299.237 0.970 20 5 CCBDRN C[C@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000440583261 390040305 /nfs/dbraw/zinc/04/03/05/390040305.db2.gz JOTJILHFPKHUDL-ZETCQYMHSA-N 0 0 265.229 0.330 20 5 CCBDRN C[C@@H]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)O1 ZINC000457392542 390042245 /nfs/dbraw/zinc/04/22/45/390042245.db2.gz ZFVYLFFOLJAZEZ-RQJHMYQMSA-N 0 0 254.246 0.615 20 5 CCBDRN O=[N+]([O-])c1cccc(OC[C@H](O)Cn2ccnn2)c1 ZINC000436481255 389977720 /nfs/dbraw/zinc/97/77/20/389977720.db2.gz VGTJPZAJFKUGHN-SNVBAGLBSA-N 0 0 264.241 0.626 20 5 CCBDRN C[C@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)NC(N)=O ZINC000448105470 389978963 /nfs/dbraw/zinc/97/89/63/389978963.db2.gz SJJIAGYPQQSWSC-YFKPBYRVSA-N 0 0 270.270 0.665 20 5 CCBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])[NH+](C)C ZINC000436954945 389987605 /nfs/dbraw/zinc/98/76/05/389987605.db2.gz JCOTWWYVGMCNNR-MRVPVSSYSA-N 0 0 267.285 0.980 20 5 CCBDRN Cc1n[nH]c(C(=O)N2CC(OC(F)F)C2)c1[N+](=O)[O-] ZINC000437567231 389994175 /nfs/dbraw/zinc/99/41/75/389994175.db2.gz HZHYGKHLMRPEPF-UHFFFAOYSA-N 0 0 276.199 0.690 20 5 CCBDRN CC(C)[C@@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])nc1 ZINC000450412605 389996839 /nfs/dbraw/zinc/99/68/39/389996839.db2.gz QZQPKNNKSSAEIF-LLVKDONJSA-N 0 0 264.285 0.951 20 5 CCBDRN NC(=O)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438133512 390001710 /nfs/dbraw/zinc/00/17/10/390001710.db2.gz VDFIUSCIQCTVGO-UHFFFAOYSA-N 0 0 277.280 0.961 20 5 CCBDRN C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420440202 390004247 /nfs/dbraw/zinc/00/42/47/390004247.db2.gz NHFXFKACBYLZRS-WDSKDSINSA-N 0 0 279.343 0.670 20 5 CCBDRN CN(CC(C)(CO)CO)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439163594 390015854 /nfs/dbraw/zinc/01/58/54/390015854.db2.gz SKSLKDWOUXKGGT-UHFFFAOYSA-N 0 0 297.311 0.121 20 5 CCBDRN O=C(N[C@H]1CCC[C@H]1CO)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000456781596 390017994 /nfs/dbraw/zinc/01/79/94/390017994.db2.gz VGIPOZJJSNRUJF-CBAPKCEASA-N 0 0 281.268 0.586 20 5 CCBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCO)C1CC1 ZINC000439290694 390018927 /nfs/dbraw/zinc/01/89/27/390018927.db2.gz ARRJQFHYBHRHOS-UHFFFAOYSA-N 0 0 265.269 0.895 20 5 CCBDRN CCO[C@@H]1CCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000456949782 390021648 /nfs/dbraw/zinc/02/16/48/390021648.db2.gz VKZGDTBEWJRXOL-GHMZBOCLSA-N 0 0 282.300 0.865 20 5 CCBDRN C[C@@H]1CN(CCO)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000457087953 390027356 /nfs/dbraw/zinc/02/73/56/390027356.db2.gz KARLWZSLPLHYAG-LLVKDONJSA-N 0 0 293.323 0.733 20 5 CCBDRN Cc1n[nH]c(C(=O)NC[C@@](C)(O)C(C)C)c1[N+](=O)[O-] ZINC000440222168 390033718 /nfs/dbraw/zinc/03/37/18/390033718.db2.gz WBWRJNRFMABLAO-LLVKDONJSA-N 0 0 270.289 0.763 20 5 CCBDRN Cc1ccc(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)nc1 ZINC000457181887 390033807 /nfs/dbraw/zinc/03/38/07/390033807.db2.gz OPOOYGVOFRHNER-UHFFFAOYSA-N 0 0 275.268 0.994 20 5 CCBDRN CCc1nnc(NC(=O)Cn2ccc([N+](=O)[O-])n2)[nH]1 ZINC000479077844 390081156 /nfs/dbraw/zinc/08/11/56/390081156.db2.gz HISFUMNKZCEYSG-UHFFFAOYSA-N 0 0 265.233 0.111 20 5 CCBDRN CC(C)(O)C1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000479156273 390081280 /nfs/dbraw/zinc/08/12/80/390081280.db2.gz KPGPFQFTPMYIED-UHFFFAOYSA-N 0 0 280.284 0.646 20 5 CCBDRN CCc1nnc(NC(=O)c2c([N+](=O)[O-])cnn2C)[nH]1 ZINC000479171440 390081350 /nfs/dbraw/zinc/08/13/50/390081350.db2.gz XCGDPLSNJQMVMX-UHFFFAOYSA-N 0 0 265.233 0.261 20 5 CCBDRN C[C@H](Cc1ccncc1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000487899991 390090258 /nfs/dbraw/zinc/09/02/58/390090258.db2.gz UNRYJIVNJZAHBP-SNVBAGLBSA-N 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276.256 0.240 20 5 CCBDRN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C(N)=O)O1 ZINC000122333405 187027449 /nfs/dbraw/zinc/02/74/49/187027449.db2.gz ILRDIGDYTHZATL-APPZFPTMSA-N 0 0 285.325 0.731 20 5 CCBDRN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C(N)=O)O1 ZINC000122525606 187036319 /nfs/dbraw/zinc/03/63/19/187036319.db2.gz UPTVPRPAOZICPW-SKDRFNHKSA-N 0 0 279.296 0.669 20 5 CCBDRN CC[C@H](C)[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)OC ZINC000193697979 351841437 /nfs/dbraw/zinc/84/14/37/351841437.db2.gz FAFASRYHPPOIJJ-GZMMTYOYSA-N 0 0 298.299 0.495 20 5 CCBDRN Nc1c(C(=O)NCc2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000122820823 187053667 /nfs/dbraw/zinc/05/36/67/187053667.db2.gz BRBNFTHFGZWSTM-UHFFFAOYSA-N 0 0 261.241 0.830 20 5 CCBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H](O)COC ZINC000123320099 187084726 /nfs/dbraw/zinc/08/47/26/187084726.db2.gz CMEYDABGTGIDCE-JTQLQIEISA-N 0 0 297.311 0.764 20 5 CCBDRN COC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000206780445 351926091 /nfs/dbraw/zinc/92/60/91/351926091.db2.gz XDZZMWZDUINCFW-XCBNKYQSSA-N 0 0 282.252 0.247 20 5 CCBDRN Cc1nn(C)c(NC[C@H]2CCCS2(=O)=O)c1[N+](=O)[O-] ZINC000212603099 351930599 /nfs/dbraw/zinc/93/05/99/351930599.db2.gz XLTLPDJFDYGIPL-MRVPVSSYSA-N 0 0 288.329 0.626 20 5 CCBDRN O=C1CN(c2c(F)cc([N+](=O)[O-])cc2F)CCN1 ZINC000215601141 351937123 /nfs/dbraw/zinc/93/71/23/351937123.db2.gz YUXKVOSIQBPXKZ-UHFFFAOYSA-N 0 0 257.196 0.809 20 5 CCBDRN CNS(=O)(=O)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000221040057 351975676 /nfs/dbraw/zinc/97/56/76/351975676.db2.gz UBZXMOHIWQOBPG-UHFFFAOYSA-N 0 0 295.267 0.834 20 5 CCBDRN COC[C@@H](CCO)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225740761 352012940 /nfs/dbraw/zinc/01/29/40/352012940.db2.gz IIPBHJLANOMHEK-LLVKDONJSA-N 0 0 282.296 0.651 20 5 CCBDRN CCOC(=O)[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000224092286 351995795 /nfs/dbraw/zinc/99/57/95/351995795.db2.gz JQUAZMLZBGYSMS-JTQLQIEISA-N 0 0 281.268 0.101 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCc1ccco1 ZINC000354238511 137565941 /nfs/dbraw/zinc/56/59/41/137565941.db2.gz PQWWDPJPMAUJTP-UHFFFAOYSA-N 0 0 291.263 0.708 20 5 CCBDRN COC[C@H](CCO)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000225751387 352013896 /nfs/dbraw/zinc/01/38/96/352013896.db2.gz RPSAKLZYFRPIFH-QMMMGPOBSA-N 0 0 286.259 0.861 20 5 CCBDRN O=[N+]([O-])c1ccc(NCCCOCCO)c2nonc21 ZINC000227313202 352044027 /nfs/dbraw/zinc/04/40/27/352044027.db2.gz DUSPWDOZJJLXDZ-UHFFFAOYSA-N 0 0 282.256 0.942 20 5 CCBDRN COc1cc(C(=O)NCCCOCCO)ccc1[N+](=O)[O-] ZINC000227551737 352053487 /nfs/dbraw/zinc/05/34/87/352053487.db2.gz LIAZUPZNEXADSC-UHFFFAOYSA-N 0 0 298.295 0.732 20 5 CCBDRN Cc1nc(CNc2c([N+](=O)[O-])c(C)nn2C)no1 ZINC000227633222 352056032 /nfs/dbraw/zinc/05/60/32/352056032.db2.gz WFQGWUOYTFOTNY-UHFFFAOYSA-N 0 0 252.234 0.940 20 5 CCBDRN C[C@H](Nc1ncc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000228176150 352070238 /nfs/dbraw/zinc/07/02/38/352070238.db2.gz OWRVPRIHLKOJKH-QMMMGPOBSA-N 0 0 281.272 0.044 20 5 CCBDRN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1CO ZINC000226330602 352023562 /nfs/dbraw/zinc/02/35/62/352023562.db2.gz UALIQGJZNRDBBR-GMSGAONNSA-N 0 0 253.258 0.766 20 5 CCBDRN COC[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230685094 352117667 /nfs/dbraw/zinc/11/76/67/352117667.db2.gz ALNLAWGKAMXNFD-ZETCQYMHSA-N 0 0 268.273 0.679 20 5 CCBDRN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CCO1 ZINC000230721405 352118930 /nfs/dbraw/zinc/11/89/30/352118930.db2.gz LVIQEBWQKYQFST-JGVFFNPUSA-N 0 0 280.284 0.869 20 5 CCBDRN C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1cn[nH]c1 ZINC000229961895 352098454 /nfs/dbraw/zinc/09/84/54/352098454.db2.gz JQLIFOFYJZWYND-ZETCQYMHSA-N 0 0 264.245 0.392 20 5 CCBDRN Cc1ccnc(N2C[C@@H](C)O[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000230006645 352100250 /nfs/dbraw/zinc/10/02/50/352100250.db2.gz NKYAETDUJIDGQE-NXEZZACHSA-N 0 0 267.285 0.884 20 5 CCBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CCOC1 ZINC000230697730 352117600 /nfs/dbraw/zinc/11/76/00/352117600.db2.gz IBFXNUTWEPPCAP-JGVFFNPUSA-N 0 0 280.284 0.727 20 5 CCBDRN COC[C@@H](CO)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000234677998 352165354 /nfs/dbraw/zinc/16/53/54/352165354.db2.gz WDYURFKBNHURSG-ZCFIWIBFSA-N 0 0 272.286 0.723 20 5 CCBDRN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1OC ZINC000234758509 352169630 /nfs/dbraw/zinc/16/96/30/352169630.db2.gz CFJASUKBOUPJHF-TXEJJXNPSA-N 0 0 295.295 0.663 20 5 CCBDRN COC[C@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000234755476 352169829 /nfs/dbraw/zinc/16/98/29/352169829.db2.gz SPKZKURGDKSGGT-VIFPVBQESA-N 0 0 272.232 0.471 20 5 CCBDRN Cc1c(C(=O)N2C[C@H](O)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000235812980 352188376 /nfs/dbraw/zinc/18/83/76/352188376.db2.gz FAHRHQTWIBFZPX-QWRGUYRKSA-N 0 0 266.253 0.081 20 5 CCBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N(CCO)CC(F)F ZINC000236364419 352193008 /nfs/dbraw/zinc/19/30/08/352193008.db2.gz QNBFUDHHQCLODZ-UHFFFAOYSA-N 0 0 290.226 0.272 20 5 CCBDRN O=[N+]([O-])c1c(N2C[C@H]3C[C@@]3(O)C2)nc2sccn21 ZINC000603420548 363123879 /nfs/dbraw/zinc/12/38/79/363123879.db2.gz LZZXWRNWJOREOX-LHLIQPBNSA-N 0 0 266.282 0.875 20 5 CCBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3C[C@@]3(O)C2)c1 ZINC000603425724 363125683 /nfs/dbraw/zinc/12/56/83/363125683.db2.gz XTAISWBJMTVUBK-NOZJJQNGSA-N 0 0 278.264 0.952 20 5 CCBDRN C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000271475159 191160044 /nfs/dbraw/zinc/16/00/44/191160044.db2.gz VLORPCZREXYKOG-DTWKUNHWSA-N 0 0 268.273 0.475 20 5 CCBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@H]2C[C@@]2(O)C1 ZINC000603430597 363128334 /nfs/dbraw/zinc/12/83/34/363128334.db2.gz AKFRKZYHJXPVNM-BXUZGUMPSA-N 0 0 291.307 0.914 20 5 CCBDRN NS(=O)(=O)c1c(NC2CC2)cccc1[N+](=O)[O-] ZINC000603928356 363172163 /nfs/dbraw/zinc/17/21/63/363172163.db2.gz PJLWUOGHRDULHU-UHFFFAOYSA-N 0 0 257.271 0.817 20 5 CCBDRN COc1ccc(CNC(=O)Cn2cncn2)cc1[N+](=O)[O-] ZINC000604017768 363175303 /nfs/dbraw/zinc/17/53/03/363175303.db2.gz XDEXXNGPOQXMBC-UHFFFAOYSA-N 0 0 291.267 0.511 20 5 CCBDRN CS(=O)(=O)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000242810000 352307213 /nfs/dbraw/zinc/30/72/13/352307213.db2.gz FIXPRNLCOXVSIT-UHFFFAOYSA-N 0 0 258.255 0.578 20 5 CCBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCn2ncnc2C1 ZINC000354495937 137577775 /nfs/dbraw/zinc/57/77/75/137577775.db2.gz LWMROIXESMWUJG-UHFFFAOYSA-N 0 0 279.281 0.904 20 5 CCBDRN O=[N+]([O-])c1ccc(NC[C@H](O)CO)c(OC(F)F)c1 ZINC000133468458 187686507 /nfs/dbraw/zinc/68/65/07/187686507.db2.gz ATVUZVHHWLNAOT-ZETCQYMHSA-N 0 0 278.211 0.961 20 5 CCBDRN Cc1nc(NC(=O)[C@@H]2CC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000133820169 187708968 /nfs/dbraw/zinc/70/89/68/187708968.db2.gz GIHRDTUALCYUBB-MRVPVSSYSA-N 0 0 278.268 0.715 20 5 CCBDRN Cc1occc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000604339833 363188561 /nfs/dbraw/zinc/18/85/61/363188561.db2.gz NXQICYDYZRPEOB-UHFFFAOYSA-N 0 0 265.229 0.404 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252851730 352526084 /nfs/dbraw/zinc/52/60/84/352526084.db2.gz FWFBZEYNHLYODQ-CIUDSAMLSA-N 0 0 252.274 0.535 20 5 CCBDRN O=C(N[C@@H](CO)c1ccsc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354890638 137598446 /nfs/dbraw/zinc/59/84/46/137598446.db2.gz DVSVACXHOGCINF-QMMMGPOBSA-N 0 0 282.281 0.843 20 5 CCBDRN NC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCO1 ZINC000265581612 352647667 /nfs/dbraw/zinc/64/76/67/352647667.db2.gz WLZZFZQFJFLGIA-MRVPVSSYSA-N 0 0 286.675 0.334 20 5 CCBDRN CCCc1n[nH]c(C(=O)NC[C@H](C)C(=O)OC)c1[N+](=O)[O-] ZINC000265619458 352650388 /nfs/dbraw/zinc/65/03/88/352650388.db2.gz GZERQQOSMJRNBP-ZETCQYMHSA-N 0 0 298.299 0.809 20 5 CCBDRN Cc1n[nH]c(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)c1[N+](=O)[O-] ZINC000265637447 352652118 /nfs/dbraw/zinc/65/21/18/352652118.db2.gz LEGZSWJUQBMSMN-QMMMGPOBSA-N 0 0 295.299 0.365 20 5 CCBDRN CC(C)(C(=O)N1CCNC(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000265734764 352659598 /nfs/dbraw/zinc/65/95/98/352659598.db2.gz SXZLUSBEMKHELI-UHFFFAOYSA-N 0 0 291.307 0.831 20 5 CCBDRN Cc1ccnc(NCCN2C(=O)CNC2=O)c1[N+](=O)[O-] ZINC000265156342 352622181 /nfs/dbraw/zinc/62/21/81/352622181.db2.gz CNIPJBWUARAYKT-UHFFFAOYSA-N 0 0 279.256 0.262 20 5 CCBDRN CC(C)(CCO)CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000266228981 352691200 /nfs/dbraw/zinc/69/12/00/352691200.db2.gz SUPKXINTZXBKHL-UHFFFAOYSA-N 0 0 282.300 0.909 20 5 CCBDRN Cn1cc([C@H](O)CNC(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000266488618 352706082 /nfs/dbraw/zinc/70/60/82/352706082.db2.gz CVYPHKIWSKYIKL-SECBINFHSA-N 0 0 296.308 0.853 20 5 CCBDRN Cn1ccnc1SC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266507983 352707691 /nfs/dbraw/zinc/70/76/91/352707691.db2.gz XVYDKRQPFNAWPO-SECBINFHSA-N 0 0 283.313 0.678 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCO[C@@H]1C ZINC000135244491 187811080 /nfs/dbraw/zinc/81/10/80/187811080.db2.gz XKGUHJMYWBIZKF-VXNVDRBHSA-N 0 0 268.273 0.393 20 5 CCBDRN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1=O ZINC000266082092 352681158 /nfs/dbraw/zinc/68/11/58/352681158.db2.gz ZSYAEFHVMMXYFM-LBPRGKRZSA-N 0 0 291.307 0.826 20 5 CCBDRN COc1cc(N2CCN(CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000266132537 352684529 /nfs/dbraw/zinc/68/45/29/352684529.db2.gz DLLVYPIYDHJGFL-UHFFFAOYSA-N 0 0 294.311 0.211 20 5 CCBDRN COCCNC(=O)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000135358626 187823608 /nfs/dbraw/zinc/82/36/08/187823608.db2.gz AOWOQNZCCUTAOJ-UHFFFAOYSA-N 0 0 288.691 0.818 20 5 CCBDRN CN(CC(C)(CO)CO)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271621642 191245824 /nfs/dbraw/zinc/24/58/24/191245824.db2.gz MHJCIQXVDZTYCV-UHFFFAOYSA-N 0 0 297.311 0.121 20 5 CCBDRN Nc1nc(NC[C@@]2(O)CCSC2)ncc1[N+](=O)[O-] ZINC000267086307 352743580 /nfs/dbraw/zinc/74/35/80/352743580.db2.gz TULMBKZBMKKOHE-VIFPVBQESA-N 0 0 271.302 0.247 20 5 CCBDRN Cc1n[nH]c(C(=O)N(C)CC(C)(C)O)c1[N+](=O)[O-] ZINC000267093524 352744121 /nfs/dbraw/zinc/74/41/21/352744121.db2.gz IZZNQAGZRFIYRB-UHFFFAOYSA-N 0 0 256.262 0.469 20 5 CCBDRN CN(C[C@H]1CCOC1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000267215143 352752025 /nfs/dbraw/zinc/75/20/25/352752025.db2.gz CGXHFYDWRXXXEA-MRVPVSSYSA-N 0 0 280.284 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/nfs/dbraw/zinc/86/22/32/353862232.db2.gz FGQSQVAPXPYMMD-NSHDSACASA-N 0 0 295.295 0.212 20 5 CCBDRN O=CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294160791 353874580 /nfs/dbraw/zinc/87/45/80/353874580.db2.gz BTTUBAVGSHTJPH-UHFFFAOYSA-N 0 0 277.280 0.899 20 5 CCBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H](O)C(F)F ZINC000295471698 353896675 /nfs/dbraw/zinc/89/66/75/353896675.db2.gz MNMGGTBUGIRKGH-CLZZGJSISA-N 0 0 278.215 0.452 20 5 CCBDRN CC[C@H](CO)N(C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000293894571 353848686 /nfs/dbraw/zinc/84/86/86/353848686.db2.gz GQITTXXEPUHECE-SECBINFHSA-N 0 0 267.285 0.901 20 5 CCBDRN CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000293947151 353854165 /nfs/dbraw/zinc/85/41/65/353854165.db2.gz JRVVADCMUDGJGY-VIFPVBQESA-N 0 0 270.289 0.411 20 5 CCBDRN O=[N+]([O-])c1ccc(OCCN2CCOC[C@@H](O)C2)cc1 ZINC000295607281 353907717 /nfs/dbraw/zinc/90/77/17/353907717.db2.gz NNLXTYRVQHBSMW-LBPRGKRZSA-N 0 0 282.296 0.667 20 5 CCBDRN C[C@H](CCO)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000295673449 353911512 /nfs/dbraw/zinc/91/15/12/353911512.db2.gz XHOFTXNPXJBCQQ-ZETCQYMHSA-N 0 0 256.262 0.456 20 5 CCBDRN O=[N+]([O-])c1ccc(N[C@@H]2COC[C@H]2O)c2nonc21 ZINC000296011493 353927824 /nfs/dbraw/zinc/92/78/24/353927824.db2.gz NPCOUYBEPRBHRN-HTRCEHHLSA-N 0 0 266.213 0.303 20 5 CCBDRN CN(CC(C)(C)CO)c1ncc([N+](=O)[O-])c(N)n1 ZINC000296419282 353946757 /nfs/dbraw/zinc/94/67/57/353946757.db2.gz XHPXYKFMEIEUQQ-UHFFFAOYSA-N 0 0 255.278 0.422 20 5 CCBDRN O=C(NC[C@@H]1CCC[C@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000618934468 366127660 /nfs/dbraw/zinc/12/76/60/366127660.db2.gz UJJOGWSCPGSLNX-SFYZADRCSA-N 0 0 268.273 0.599 20 5 CCBDRN CN(CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000298735223 353967254 /nfs/dbraw/zinc/96/72/54/353967254.db2.gz IEILCWJARFOJFG-UHFFFAOYSA-N 0 0 279.296 0.408 20 5 CCBDRN CCCn1[nH]ccc1=NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000298809225 353970970 /nfs/dbraw/zinc/97/09/70/353970970.db2.gz YLTWZXKHBYVYEH-GXDHUFHOSA-N 0 0 278.272 0.458 20 5 CCBDRN COCCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000298969522 353980694 /nfs/dbraw/zinc/98/06/94/353980694.db2.gz IVZTZBFZVQTNJE-UHFFFAOYSA-N 0 0 295.295 0.947 20 5 CCBDRN CCN(CC)C(=O)CN(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000296667978 353954593 /nfs/dbraw/zinc/95/45/93/353954593.db2.gz ZAUPVTANUWPYBD-UHFFFAOYSA-N 0 0 281.316 0.998 20 5 CCBDRN CN1C[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CC1=O ZINC000299682492 354039556 /nfs/dbraw/zinc/03/95/56/354039556.db2.gz RSUHQAJCAHHWCJ-ZCFIWIBFSA-N 0 0 281.297 0.947 20 5 CCBDRN CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000299692306 354039975 /nfs/dbraw/zinc/03/99/75/354039975.db2.gz ZXLYHNCIDOPVHJ-UHFFFAOYSA-N 0 0 265.269 0.769 20 5 CCBDRN COCCOCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000299231168 354000210 /nfs/dbraw/zinc/00/02/10/354000210.db2.gz KTZIEGRYBNTAEM-UHFFFAOYSA-N 0 0 257.250 0.042 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1NCCNC(=O)C(C)(C)C ZINC000299608129 354032664 /nfs/dbraw/zinc/03/26/64/354032664.db2.gz RWDKYZGHMLNFIL-UHFFFAOYSA-N 0 0 269.305 0.903 20 5 CCBDRN Cc1sc(C(=O)N[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000299660714 354037466 /nfs/dbraw/zinc/03/74/66/354037466.db2.gz XRUCROAIWFZNPG-SSDOTTSWSA-N 0 0 283.309 0.973 20 5 CCBDRN O=[N+]([O-])c1c(N2CC[C@@H](CO)[C@@H](O)C2)nc2sccn21 ZINC000302736426 354085883 /nfs/dbraw/zinc/08/58/83/354085883.db2.gz PBKXDZAUUJBSQH-YUMQZZPRSA-N 0 0 298.324 0.484 20 5 CCBDRN O=[N+]([O-])c1cnc2ccc(N[C@@H]3C=C[C@H](CO)C3)nn21 ZINC000302732858 354086037 /nfs/dbraw/zinc/08/60/37/354086037.db2.gz NIJMKDDKDVCITD-DTWKUNHWSA-N 0 0 275.268 0.986 20 5 CCBDRN CN(CC(N)=O)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302830446 354089620 /nfs/dbraw/zinc/08/96/20/354089620.db2.gz KLIXZZUIFCQJED-UHFFFAOYSA-N 0 0 250.258 0.484 20 5 CCBDRN Cc1n[nH]c(C(=O)NCc2cn(C(C)C)nn2)c1[N+](=O)[O-] ZINC000557033670 291020587 /nfs/dbraw/zinc/02/05/87/291020587.db2.gz BBPXFNIAXMHHKX-UHFFFAOYSA-N 0 0 293.287 0.729 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000305745245 354158250 /nfs/dbraw/zinc/15/82/50/354158250.db2.gz VCOWJZDFSMKVSH-BDAKNGLRSA-N 0 0 282.300 0.609 20 5 CCBDRN Cn1cc(CCNc2ccc(N)c([N+](=O)[O-])n2)cn1 ZINC000311887470 354205290 /nfs/dbraw/zinc/20/52/90/354205290.db2.gz ZJDQJDHRKJTRRA-UHFFFAOYSA-N 0 0 262.273 0.960 20 5 CCBDRN O=C(NC[C@H]1COCCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000312264789 354207600 /nfs/dbraw/zinc/20/76/00/354207600.db2.gz LOPQRGWCIPHEBK-VIFPVBQESA-N 0 0 284.243 0.879 20 5 CCBDRN O=[N+]([O-])c1cnc(N2CCC(O)(CO)CC2)s1 ZINC000313649424 354218484 /nfs/dbraw/zinc/21/84/84/354218484.db2.gz YCGMUJUWPBAZFY-UHFFFAOYSA-N 0 0 259.287 0.375 20 5 CCBDRN NS(=O)(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330478028 354374420 /nfs/dbraw/zinc/37/44/20/354374420.db2.gz XBTUJPGJTCDITC-LLVKDONJSA-N 0 0 285.325 0.458 20 5 CCBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CO)C1 ZINC000330488156 354377854 /nfs/dbraw/zinc/37/78/54/354377854.db2.gz IALQZDIHVPRCEA-SECBINFHSA-N 0 0 265.269 0.753 20 5 CCBDRN Cc1nc(N[C@@H](C)CO)nc(N[C@@H](C)CO)c1[N+](=O)[O-] ZINC000165405177 188631769 /nfs/dbraw/zinc/63/17/69/188631769.db2.gz IWVZKIYXOINYNU-BQBZGAKWSA-N 0 0 285.304 0.279 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCO[C@@H](CO)C1 ZINC000168335210 188648195 /nfs/dbraw/zinc/64/81/95/188648195.db2.gz HUDRVWSUOAHRQS-SSDOTTSWSA-N 0 0 272.282 0.490 20 5 CCBDRN COC1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCCC1 ZINC000331069017 354437561 /nfs/dbraw/zinc/43/75/61/354437561.db2.gz BEJJJCKRYWHMHH-UHFFFAOYSA-N 0 0 297.315 0.652 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](CO)C1 ZINC000331072251 354438817 /nfs/dbraw/zinc/43/88/17/354438817.db2.gz TUBQQTKXWWPYRR-SECBINFHSA-N 0 0 254.290 0.533 20 5 CCBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](O)C[C@H]1CO ZINC000421792861 234763845 /nfs/dbraw/zinc/76/38/45/234763845.db2.gz RNPFNKYTHAPKEB-QWRGUYRKSA-N 0 0 294.307 0.779 20 5 CCBDRN CC(C)[C@](C)(CO)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000331219383 354495733 /nfs/dbraw/zinc/49/57/33/354495733.db2.gz XSOQQBBMNLZRDS-NSHDSACASA-N 0 0 270.289 0.315 20 5 CCBDRN COC(=O)[C@]1(NC(=O)c2ccc([N+](=O)[O-])cn2)CCOC1 ZINC000531887336 358487449 /nfs/dbraw/zinc/48/74/49/358487449.db2.gz JXSPUZZHAVOFJE-LBPRGKRZSA-N 0 0 295.251 0.052 20 5 CCBDRN CC1(C)[C@H](O)C[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000332500641 354688421 /nfs/dbraw/zinc/68/84/21/354688421.db2.gz WIGDTGUBMBNTGI-WDEREUQCSA-N 0 0 295.295 0.032 20 5 CCBDRN COC(=O)[C@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000332704116 354725287 /nfs/dbraw/zinc/72/52/87/354725287.db2.gz NADOEGCUSJHWOY-GFCCVEGCSA-N 0 0 281.268 0.948 20 5 CCBDRN COC1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000332474201 354681641 /nfs/dbraw/zinc/68/16/41/354681641.db2.gz STNWGORMWABQCO-UHFFFAOYSA-N 0 0 286.309 0.755 20 5 CCBDRN CN1CC[C@@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000280059592 283060648 /nfs/dbraw/zinc/06/06/48/283060648.db2.gz ZBSRLGLAQMKKJG-SNVBAGLBSA-N 0 0 284.293 0.599 20 5 CCBDRN CCOC[C@@H](O)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000336841021 355212519 /nfs/dbraw/zinc/21/25/19/355212519.db2.gz QYWRUNQQVFHSKS-VIFPVBQESA-N 0 0 286.259 0.861 20 5 CCBDRN C[C@H]1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000271838585 191359578 /nfs/dbraw/zinc/35/95/78/191359578.db2.gz AMDFSWAMZJTSKV-VHSXEESVSA-N 0 0 282.300 0.723 20 5 CCBDRN CCn1ncnc1CNc1ncc([N+](=O)[O-])s1 ZINC000337001660 355245194 /nfs/dbraw/zinc/24/51/94/355245194.db2.gz UWXOHMBUOXRYFT-UHFFFAOYSA-N 0 0 254.275 0.697 20 5 CCBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCC[C@H](O)C(F)(F)F ZINC000337045388 355255563 /nfs/dbraw/zinc/25/55/63/355255563.db2.gz OSMLHXPUVRCBFU-LURJTMIESA-N 0 0 296.205 0.371 20 5 CCBDRN CC1(C)[C@H](O)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558652410 291065028 /nfs/dbraw/zinc/06/50/28/291065028.db2.gz MGFVFWLZBTXIAI-SSDOTTSWSA-N 0 0 254.246 0.303 20 5 CCBDRN C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000558664892 291066648 /nfs/dbraw/zinc/06/66/48/291066648.db2.gz WWIBPUSBNVGLMU-XCBNKYQSSA-N 0 0 280.284 0.188 20 5 CCBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CC(=O)N[C@@H](C)C1 ZINC000295742883 199642947 /nfs/dbraw/zinc/64/29/47/199642947.db2.gz MXGVHOFHCFELMY-ZETCQYMHSA-N 0 0 267.289 0.444 20 5 CCBDRN O=[N+]([O-])c1cccc(N2CCN([C@H]3COC[C@@H]3O)CC2)c1 ZINC000340275628 355544916 /nfs/dbraw/zinc/54/49/16/355544916.db2.gz CUESQKNOGDVRGK-KBPBESRZSA-N 0 0 293.323 0.477 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCN(C)C(=O)C1 ZINC000425263287 235278029 /nfs/dbraw/zinc/27/80/29/235278029.db2.gz BEEKMXQUNFNEMS-QMMMGPOBSA-N 0 0 267.289 0.609 20 5 CCBDRN CNC(=O)CN(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000341336922 355655489 /nfs/dbraw/zinc/65/54/89/355655489.db2.gz DCKPELAIACOKEP-UHFFFAOYSA-N 0 0 281.297 0.782 20 5 CCBDRN CCN(C[C@@H](C)O)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000341343979 355657325 /nfs/dbraw/zinc/65/73/25/355657325.db2.gz FRAWBJXOKYPZJT-ZCFIWIBFSA-N 0 0 256.262 0.469 20 5 CCBDRN CCc1n[nH]c(C(=O)N(CC)C[C@H](C)O)c1[N+](=O)[O-] ZINC000341350372 355658141 /nfs/dbraw/zinc/65/81/41/355658141.db2.gz BVXLMGMSRWEBCD-ZETCQYMHSA-N 0 0 270.289 0.723 20 5 CCBDRN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCOC1 ZINC000341170161 355621553 /nfs/dbraw/zinc/62/15/53/355621553.db2.gz YNOKHRMPLSJLMN-SNVBAGLBSA-N 0 0 282.300 0.819 20 5 CCBDRN CC[C@H](C)N(CC(=O)OC)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000341535163 355688770 /nfs/dbraw/zinc/68/87/70/355688770.db2.gz NWKSWIIDZBXJOI-QMMMGPOBSA-N 0 0 298.299 0.742 20 5 CCBDRN C[C@H]1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CCO1 ZINC000558755696 291072096 /nfs/dbraw/zinc/07/20/96/291072096.db2.gz ROBDYTANZNQPSV-NKWVEPMBSA-N 0 0 254.246 0.615 20 5 CCBDRN COC(=O)c1cc(C)nc(NCCN2CCC2)c1[N+](=O)[O-] ZINC000342776202 355743678 /nfs/dbraw/zinc/74/36/78/355743678.db2.gz GKNBSPXQIDRAJB-UHFFFAOYSA-N 0 0 294.311 0.624 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2CCO)n1 ZINC000427483596 235367555 /nfs/dbraw/zinc/36/75/55/235367555.db2.gz IAULQXYDBGJWKG-SECBINFHSA-N 0 0 282.300 0.798 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)n1 ZINC000345336573 355801974 /nfs/dbraw/zinc/80/19/74/355801974.db2.gz 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PCWIBSGLILIVBN-SSDOTTSWSA-N 0 0 294.292 0.806 20 5 CCBDRN C[C@@H](O)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000129623074 350218430 /nfs/dbraw/zinc/21/84/30/350218430.db2.gz ITDLPWLLGIBJEI-SSDOTTSWSA-N 0 0 291.263 0.547 20 5 CCBDRN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1O ZINC000351908401 137457829 /nfs/dbraw/zinc/45/78/29/137457829.db2.gz MLFYFYCULFKMND-LHLIQPBNSA-N 0 0 283.259 0.769 20 5 CCBDRN C[NH+](C)CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000130551984 350240728 /nfs/dbraw/zinc/24/07/28/350240728.db2.gz LPSQKSNRSKIXTC-UHFFFAOYSA-N 0 0 295.295 0.464 20 5 CCBDRN O=C(NCCc1ccco1)NCCn1cc([N+](=O)[O-])cn1 ZINC000132666086 350313697 /nfs/dbraw/zinc/31/36/97/350313697.db2.gz DYAPWARCBRQQJS-UHFFFAOYSA-N 0 0 293.283 0.926 20 5 CCBDRN CCOC(=O)c1ccnc(N(C)C[C@H](C)O)c1[N+](=O)[O-] ZINC000133467661 350337119 /nfs/dbraw/zinc/33/71/19/350337119.db2.gz YKTKTHMSIIROEU-QMMMGPOBSA-N 0 0 283.284 0.984 20 5 CCBDRN COc1cc(C(=O)NCCCO)ccc1[N+](=O)[O-] ZINC000133914697 350348369 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350416729 /nfs/dbraw/zinc/41/67/29/350416729.db2.gz LEMMYGBUBGSDBH-QMMMGPOBSA-N 0 0 253.258 0.504 20 5 CCBDRN CN(C)C(=O)NCCNc1cccnc1[N+](=O)[O-] ZINC000136233870 350418928 /nfs/dbraw/zinc/41/89/28/350418928.db2.gz SVUMGWLRWWELPF-UHFFFAOYSA-N 0 0 253.262 0.673 20 5 CCBDRN CC1(C)NC(=O)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000136859053 350429230 /nfs/dbraw/zinc/42/92/30/350429230.db2.gz SNGAOFZOWKNXND-SNVBAGLBSA-N 0 0 293.279 0.959 20 5 CCBDRN O=[N+]([O-])c1ccc(NC[C@H](O)Cn2ccnn2)cc1 ZINC000413436279 233463302 /nfs/dbraw/zinc/46/33/02/233463302.db2.gz MLYYXCTUDQQCBY-NSHDSACASA-N 0 0 263.257 0.659 20 5 CCBDRN CNC(=O)CN(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000143357635 350459022 /nfs/dbraw/zinc/45/90/22/350459022.db2.gz WWXBKNRJQHYYSU-UHFFFAOYSA-N 0 0 290.279 0.894 20 5 CCBDRN Cc1nn(C)c(C(=O)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000144726252 350464069 /nfs/dbraw/zinc/46/40/69/350464069.db2.gz QEPLFQTZMSEYPK-UHFFFAOYSA-N 0 0 267.289 0.024 20 5 CCBDRN COC(=O)c1csc(Cn2ncc([N+](=O)[O-])n2)n1 ZINC000149204702 350477009 /nfs/dbraw/zinc/47/70/09/350477009.db2.gz MQYPYGPEOFDGQG-UHFFFAOYSA-N 0 0 269.242 0.478 20 5 CCBDRN CCCCOC(=O)CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000106826637 186137862 /nfs/dbraw/zinc/13/78/62/186137862.db2.gz DUGMOKGGWUSBDL-UHFFFAOYSA-N 0 0 298.299 0.710 20 5 CCBDRN Cn1ncnc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000151111608 350493186 /nfs/dbraw/zinc/49/31/86/350493186.db2.gz LEPHHAGESSTZFJ-UHFFFAOYSA-N 0 0 261.241 0.905 20 5 CCBDRN CNC(=O)CCCN(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000154076336 350574389 /nfs/dbraw/zinc/57/43/89/350574389.db2.gz GJJHASVDEOOADQ-UHFFFAOYSA-N 0 0 294.311 0.896 20 5 CCBDRN COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000108459680 186217928 /nfs/dbraw/zinc/21/79/28/186217928.db2.gz NRUDVUBYCUVGKU-SSDOTTSWSA-N 0 0 295.251 0.331 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)C(C)(C)O ZINC000271398027 191115670 /nfs/dbraw/zinc/11/56/70/191115670.db2.gz WOHYRSSJLMBPIS-UHFFFAOYSA-N 0 0 284.316 0.765 20 5 CCBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N(CCO)CCCO ZINC000109846491 186276761 /nfs/dbraw/zinc/27/67/61/186276761.db2.gz KZLRQUIWSXZIBV-UHFFFAOYSA-N 0 0 283.284 0.803 20 5 CCBDRN Cc1nn(C)c(C(=O)N(C)CCn2cccn2)c1[N+](=O)[O-] ZINC000110429391 186295841 /nfs/dbraw/zinc/29/58/41/186295841.db2.gz GMNIRLAHJLZZJI-UHFFFAOYSA-N 0 0 292.299 0.605 20 5 CCBDRN CN(CC1CCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000110467098 186297734 /nfs/dbraw/zinc/29/77/34/186297734.db2.gz DQOCVHBMOLENAC-UHFFFAOYSA-N 0 0 253.262 0.445 20 5 CCBDRN CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000110489868 186299087 /nfs/dbraw/zinc/29/90/87/186299087.db2.gz VNXJFVVRJQFVKY-JTQLQIEISA-N 0 0 252.274 0.732 20 5 CCBDRN Cc1cc([N+](=O)[O-])cnc1N1CCN(C)C(=O)C1 ZINC000156621061 350632192 /nfs/dbraw/zinc/63/21/92/350632192.db2.gz OHRAIUVKVLGQMC-UHFFFAOYSA-N 0 0 250.258 0.577 20 5 CCBDRN COCCN(CC(F)F)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000158305834 350657310 /nfs/dbraw/zinc/65/73/10/350657310.db2.gz XMCYXGOGWAKHJI-UHFFFAOYSA-N 0 0 292.242 0.531 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160633709 350703696 /nfs/dbraw/zinc/70/36/96/350703696.db2.gz YYKFZSLUCPMMHQ-RKDXNWHRSA-N 0 0 293.279 0.929 20 5 CCBDRN CC(=O)C[C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000540588194 290911148 /nfs/dbraw/zinc/91/11/48/290911148.db2.gz VULUTJUVYUSQDS-LURJTMIESA-N 0 0 266.257 0.500 20 5 CCBDRN Nc1nc(N2CCOC[C@@H]2C2CC2)ncc1[N+](=O)[O-] ZINC000159659285 350684184 /nfs/dbraw/zinc/68/41/84/350684184.db2.gz PIBKXWVUNQDPPW-SECBINFHSA-N 0 0 265.273 0.582 20 5 CCBDRN NCC(F)(F)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000162602000 350747005 /nfs/dbraw/zinc/74/70/05/350747005.db2.gz XBPJJFMXTLUITI-UHFFFAOYSA-N 0 0 273.239 0.848 20 5 CCBDRN CNC(=O)Cc1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000163043832 350759298 /nfs/dbraw/zinc/75/92/98/350759298.db2.gz VKGRRUIFPVLGFW-UHFFFAOYSA-N 0 0 291.267 0.878 20 5 CCBDRN CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000161454898 350721702 /nfs/dbraw/zinc/72/17/02/350721702.db2.gz JSNTXMSAFNAQDA-UHFFFAOYSA-N 0 0 253.262 0.595 20 5 CCBDRN Cc1nc(N[C@H]2CCC(=O)NC2)ccc1[N+](=O)[O-] ZINC000161542351 350724332 /nfs/dbraw/zinc/72/43/32/350724332.db2.gz HBAVROHCOPPUQO-QMMMGPOBSA-N 0 0 250.258 0.989 20 5 CCBDRN C[C@@H](O)C[C@H](C)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000162063031 350735534 /nfs/dbraw/zinc/73/55/34/350735534.db2.gz SNISVVRSYAVNJK-VHSXEESVSA-N 0 0 299.331 0.498 20 5 CCBDRN C[C@H](O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000162454900 350743662 /nfs/dbraw/zinc/74/36/62/350743662.db2.gz IXWBOJGKBZXRPW-IUCAKERBSA-N 0 0 267.285 0.776 20 5 CCBDRN COC(=O)[C@@H](C)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000163585661 350768739 /nfs/dbraw/zinc/76/87/39/350768739.db2.gz MHCMVEDTCHVARK-MRVPVSSYSA-N 0 0 298.299 0.476 20 5 CCBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc[nH]n1 ZINC000164864896 350783590 /nfs/dbraw/zinc/78/35/90/350783590.db2.gz NRMHSIOTZSNUAE-UHFFFAOYSA-N 0 0 277.240 0.652 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CCN1C(=O)NC(C)(C)C1=O ZINC000168225962 350822818 /nfs/dbraw/zinc/82/28/18/350822818.db2.gz HTTJHNBVCGEQQV-UHFFFAOYSA-N 0 0 281.272 0.430 20 5 CCBDRN COC(=O)[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000166314606 350797973 /nfs/dbraw/zinc/79/79/73/350797973.db2.gz CSFZFZYQJIMHJY-QMMMGPOBSA-N 0 0 296.283 0.354 20 5 CCBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[C@H]1O ZINC000166828496 350802410 /nfs/dbraw/zinc/80/24/10/350802410.db2.gz SGBPGMZDVBMWMC-WCBMZHEXSA-N 0 0 267.285 0.776 20 5 CCBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(O)CCC2)c1 ZINC000169071858 350835811 /nfs/dbraw/zinc/83/58/11/350835811.db2.gz HHDQAVJQJPJICT-UHFFFAOYSA-N 0 0 286.309 0.788 20 5 CCBDRN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc([N+](=O)[O-])n[nH]1 ZINC000169271791 350837857 /nfs/dbraw/zinc/83/78/57/350837857.db2.gz XNBUKVCBJQBBBD-JQWIXIFHSA-N 0 0 288.263 0.706 20 5 CCBDRN C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000168410692 350826108 /nfs/dbraw/zinc/82/61/08/350826108.db2.gz YHZHSONQYHRRDN-VXNVDRBHSA-N 0 0 269.257 0.145 20 5 CCBDRN CC(=O)NC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000172143466 350961706 /nfs/dbraw/zinc/96/17/06/350961706.db2.gz ORZMJZNGLMBJQN-SECBINFHSA-N 0 0 297.267 0.165 20 5 CCBDRN CC(=O)NC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172182495 350963524 /nfs/dbraw/zinc/96/35/24/350963524.db2.gz UWVRGSWCFDQESL-CQSZACIVSA-N 0 0 293.323 0.932 20 5 CCBDRN O=C([C@@H]1CNC(=O)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172424061 350983026 /nfs/dbraw/zinc/98/30/26/350983026.db2.gz KWFJAJOMAQBCRW-QMMMGPOBSA-N 0 0 275.264 0.620 20 5 CCBDRN CN(CC(=O)NC1CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172696285 351005731 /nfs/dbraw/zinc/00/57/31/351005731.db2.gz BALACKWLHZYVJL-UHFFFAOYSA-N 0 0 291.307 0.874 20 5 CCBDRN CC(=O)N1CC(NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000173038122 351024986 /nfs/dbraw/zinc/02/49/86/351024986.db2.gz FIQZXFWHCPOCOU-UHFFFAOYSA-N 0 0 293.279 0.321 20 5 CCBDRN COC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000173765274 351054025 /nfs/dbraw/zinc/05/40/25/351054025.db2.gz 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/nfs/dbraw/zinc/08/14/90/353081490.db2.gz KWGZHHMSCXHBIA-GFCCVEGCSA-N 0 0 265.269 0.774 20 5 CCBDRN C[NH+](C)C1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272695861 353085884 /nfs/dbraw/zinc/08/58/84/353085884.db2.gz RTBPNCFVWYKWRK-UHFFFAOYSA-N 0 0 265.269 0.686 20 5 CCBDRN Cc1n[nH]c(C(=O)N2CCN(C(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000272856471 353100999 /nfs/dbraw/zinc/10/09/99/353100999.db2.gz SXZWLUBUYHZCCJ-UHFFFAOYSA-N 0 0 295.299 0.319 20 5 CCBDRN CNC(=O)CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272866995 353101825 /nfs/dbraw/zinc/10/18/25/353101825.db2.gz TUPRZHTYYMHIOJ-UHFFFAOYSA-N 0 0 296.283 0.861 20 5 CCBDRN NC(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000152290053 188007019 /nfs/dbraw/zinc/00/70/19/188007019.db2.gz WCVPURLXFMYCLB-WDEREUQCSA-N 0 0 293.279 0.358 20 5 CCBDRN CN1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000152411449 188017028 /nfs/dbraw/zinc/01/70/28/188017028.db2.gz HGHGNNNQPWSGHJ-VIFPVBQESA-N 0 0 263.253 0.555 20 5 CCBDRN CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1=O ZINC000152713731 188037444 /nfs/dbraw/zinc/03/74/44/188037444.db2.gz UUMRAJDGGMMHJH-UHFFFAOYSA-N 0 0 296.258 0.230 20 5 CCBDRN CCOC(=O)[C@H]1CCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000274321184 353119336 /nfs/dbraw/zinc/11/93/36/353119336.db2.gz AVIADVFJTQGNRQ-MRVPVSSYSA-N 0 0 296.283 0.794 20 5 CCBDRN COC[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152744355 188040219 /nfs/dbraw/zinc/04/02/19/188040219.db2.gz IJHBGISGTPDBMT-MRVPVSSYSA-N 0 0 288.687 0.985 20 5 CCBDRN C[NH+](C)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274587788 353143343 /nfs/dbraw/zinc/14/33/43/353143343.db2.gz GWJUGXOJPOJVDT-UHFFFAOYSA-N 0 0 253.258 0.592 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](CCO)c1ccco1 ZINC000274592004 353144303 /nfs/dbraw/zinc/14/43/03/353144303.db2.gz VFVPEKNBDUFMMT-JTQLQIEISA-N 0 0 294.267 0.624 20 5 CCBDRN COC(=O)[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000274607164 353145594 /nfs/dbraw/zinc/14/55/94/353145594.db2.gz YLIUBUUUBKWOMI-QPUJVOFHSA-N 0 0 296.279 0.176 20 5 CCBDRN C[C@@H](O)CN(C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000292306235 198238552 /nfs/dbraw/zinc/23/85/52/198238552.db2.gz LLUVJRYIRCWXQB-MRVPVSSYSA-N 0 0 288.325 0.815 20 5 CCBDRN C[C@H](O)[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000555884170 290983619 /nfs/dbraw/zinc/98/36/19/290983619.db2.gz FDDHEQXSAZOOFW-UWVGGRQHSA-N 0 0 282.300 0.411 20 5 CCBDRN O=C(NC[C@@H]1CCCCO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000275006799 353179180 /nfs/dbraw/zinc/17/91/80/353179180.db2.gz PFGDTVNMDFSUQN-VIFPVBQESA-N 0 0 281.268 0.994 20 5 CCBDRN COC(=O)CCCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000275060972 353182622 /nfs/dbraw/zinc/18/26/22/353182622.db2.gz YVAZEHPURPRDDN-UHFFFAOYSA-N 0 0 297.267 0.769 20 5 CCBDRN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531633429 358475324 /nfs/dbraw/zinc/47/53/24/358475324.db2.gz XGQQCWDLBJVZIK-NXEZZACHSA-N 0 0 292.295 0.764 20 5 CCBDRN CC[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)OC ZINC000292360709 198258125 /nfs/dbraw/zinc/25/81/25/198258125.db2.gz XEUBWZOSSWHOIB-MRVPVSSYSA-N 0 0 256.262 0.333 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](n2cccn2)C1 ZINC000292412965 198278924 /nfs/dbraw/zinc/27/89/24/198278924.db2.gz SQQLBFDHJNMPDN-SECBINFHSA-N 0 0 262.273 0.976 20 5 CCBDRN COC(=O)c1cnc(N2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000276548145 353208819 /nfs/dbraw/zinc/20/88/19/353208819.db2.gz JYOGGQQOTKQTKN-SECBINFHSA-N 0 0 295.295 0.985 20 5 CCBDRN O=C(NCc1nnc2n1CCC2)c1ccc([N+](=O)[O-])cn1 ZINC000531633311 358475630 /nfs/dbraw/zinc/47/56/30/358475630.db2.gz BOHMVQAYZYNXFE-UHFFFAOYSA-N 0 0 288.267 0.458 20 5 CCBDRN CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154684610 188157571 /nfs/dbraw/zinc/15/75/71/188157571.db2.gz RIBAZOQEWKRFTL-SSDOTTSWSA-N 0 0 284.272 0.730 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CCCS1 ZINC000131289966 137651162 /nfs/dbraw/zinc/65/11/62/137651162.db2.gz VSBWSGUPDITMMD-JTQLQIEISA-N 0 0 297.336 0.768 20 5 CCBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)N(C)C ZINC000277127922 353225234 /nfs/dbraw/zinc/22/52/34/353225234.db2.gz SSXNNEPFCXHGEH-UHFFFAOYSA-N 0 0 281.268 0.421 20 5 CCBDRN CCNC(=O)C1(CNc2ncc([N+](=O)[O-])c(N)n2)CCC1 ZINC000277153170 353227058 /nfs/dbraw/zinc/22/70/58/353227058.db2.gz GALWXZUYBUYXQM-UHFFFAOYSA-N 0 0 294.315 0.685 20 5 CCBDRN CC1(O)CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000277678035 353257927 /nfs/dbraw/zinc/25/79/27/353257927.db2.gz FJEAPOMBEWHAQJ-UHFFFAOYSA-N 0 0 284.243 0.706 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(C)(O)C1 ZINC000277722127 353261626 /nfs/dbraw/zinc/26/16/26/353261626.db2.gz KIIKVTYSJCSVCS-UHFFFAOYSA-N 0 0 268.273 0.083 20 5 CCBDRN C[C@H](CCO)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000156287845 188253314 /nfs/dbraw/zinc/25/33/14/188253314.db2.gz XJPXESHPLRROLB-SSDOTTSWSA-N 0 0 253.258 0.678 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000155780350 188226751 /nfs/dbraw/zinc/22/67/51/188226751.db2.gz JJFLHQCRGOLKTG-WDEREUQCSA-N 0 0 296.327 0.767 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000155780113 188227255 /nfs/dbraw/zinc/22/72/55/188227255.db2.gz JJFLHQCRGOLKTG-QWRGUYRKSA-N 0 0 296.327 0.767 20 5 CCBDRN COc1cc(CN2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000278440484 353300239 /nfs/dbraw/zinc/30/02/39/353300239.db2.gz VUECQBVGZWHJNC-PHIMTYICSA-N 0 0 298.295 0.149 20 5 CCBDRN COC(=O)[C@@H](CF)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000292552350 198330263 /nfs/dbraw/zinc/33/02/63/198330263.db2.gz KHMJYCNFMDVRQR-ZCFIWIBFSA-N 0 0 259.193 0.164 20 5 CCBDRN CCOC(=O)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157334906 188310952 /nfs/dbraw/zinc/31/09/52/188310952.db2.gz KDIYGJOOLVHSSI-UHFFFAOYSA-N 0 0 297.315 0.565 20 5 CCBDRN Cc1cccc(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])n1 ZINC000279859347 353320377 /nfs/dbraw/zinc/32/03/77/353320377.db2.gz GHEGXDQTOBWZSL-UHFFFAOYSA-N 0 0 275.268 0.994 20 5 CCBDRN Cc1nn(C)c(C(=O)NCCN2CC=CCC2)c1[N+](=O)[O-] ZINC000279903934 353323244 /nfs/dbraw/zinc/32/32/44/353323244.db2.gz FAGKGNJNGRKYBC-UHFFFAOYSA-N 0 0 293.327 0.628 20 5 CCBDRN COC[C@@H](CO)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000280165111 353344301 /nfs/dbraw/zinc/34/43/01/353344301.db2.gz GOGCLDGAVXFVFZ-GXSJLCMTSA-N 0 0 297.311 0.962 20 5 CCBDRN CC(C)C[C@H](CCO)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000176310972 137676982 /nfs/dbraw/zinc/67/69/82/137676982.db2.gz HOSONDLIOZWTJZ-NSHDSACASA-N 0 0 298.343 0.952 20 5 CCBDRN Nc1c([N+](=O)[O-])cnn1CCO[C@@H]1CCCCO1 ZINC000282420212 353421928 /nfs/dbraw/zinc/42/19/28/353421928.db2.gz LTLKVCLFESRPDS-SECBINFHSA-N 0 0 256.262 0.917 20 5 CCBDRN C[S@](=O)C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000282324588 353413881 /nfs/dbraw/zinc/41/38/81/353413881.db2.gz WFRMUJUPVFLXIB-SFHVURJKSA-N 0 0 271.298 0.564 20 5 CCBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCCO ZINC000282869113 353459249 /nfs/dbraw/zinc/45/92/49/353459249.db2.gz UMQFLMOLZFTCKT-UHFFFAOYSA-N 0 0 299.258 0.479 20 5 CCBDRN CN(c1ccc([N+](=O)[O-])c(N)c1F)[C@@H]1COC[C@H]1O ZINC000286345611 353579495 /nfs/dbraw/zinc/57/94/95/353579495.db2.gz MHAJJCGWMRWGAZ-RKDXNWHRSA-N 0 0 271.248 0.512 20 5 CCBDRN COC(=O)c1cn(CCNc2ccc([N+](=O)[O-])cn2)nn1 ZINC000286398026 353583135 /nfs/dbraw/zinc/58/31/35/353583135.db2.gz JQLNZXVKIQPZTJ-UHFFFAOYSA-N 0 0 292.255 0.480 20 5 CCBDRN CNC(=O)c1ccc(N(C)[C@@H]2COC[C@H]2O)c([N+](=O)[O-])c1 ZINC000286403294 353583964 /nfs/dbraw/zinc/58/39/64/353583964.db2.gz PSFIVROQRXKLBN-VXGBXAGGSA-N 0 0 295.295 0.150 20 5 CCBDRN CO[C@@H](C)CN(C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000286419752 353584934 /nfs/dbraw/zinc/58/49/34/353584934.db2.gz OMOWLNKNXSPYRA-ZETCQYMHSA-N 0 0 268.273 0.560 20 5 CCBDRN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@](F)(CO)C1 ZINC000286526113 353593386 /nfs/dbraw/zinc/59/33/86/353593386.db2.gz URNDWTKRSRORDS-LBPRGKRZSA-N 0 0 298.274 0.390 20 5 CCBDRN Cc1c(CC(=O)N(C)CCC(N)=O)cccc1[N+](=O)[O-] ZINC000286133891 353564620 /nfs/dbraw/zinc/56/46/20/353564620.db2.gz DHYNWWANYBMJLE-UHFFFAOYSA-N 0 0 279.296 0.780 20 5 CCBDRN CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1COC[C@H]1O ZINC000286188526 353568147 /nfs/dbraw/zinc/56/81/47/353568147.db2.gz AXOLYFSCTICWIF-RKDXNWHRSA-N 0 0 273.676 0.839 20 5 CCBDRN CN(CCC(N)=O)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000286203229 353568583 /nfs/dbraw/zinc/56/85/83/353568583.db2.gz ATZGLDLIAGCZQO-UHFFFAOYSA-N 0 0 292.295 0.791 20 5 CCBDRN CNC(=O)C1CN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287072587 353626369 /nfs/dbraw/zinc/62/63/69/353626369.db2.gz XVCJHIRSZAVKLM-UHFFFAOYSA-N 0 0 293.308 0.782 20 5 CCBDRN COc1ccc(NC(=O)N(C)CCC(N)=O)cc1[N+](=O)[O-] ZINC000287339579 353640275 /nfs/dbraw/zinc/64/02/75/353640275.db2.gz YSAIIQXOSUZEJL-UHFFFAOYSA-N 0 0 296.283 0.943 20 5 CCBDRN Nc1ccc([N+](=O)[O-])c(NCCCCS(N)(=O)=O)c1 ZINC000292852485 198433485 /nfs/dbraw/zinc/43/34/85/198433485.db2.gz RMACDFMKWDQPQZ-UHFFFAOYSA-N 0 0 288.329 0.658 20 5 CCBDRN Cc1ccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)o1 ZINC000286724463 353606567 /nfs/dbraw/zinc/60/65/67/353606567.db2.gz JJBYOHAVJWTDSM-QMMMGPOBSA-N 0 0 280.240 0.683 20 5 CCBDRN O=[N+]([O-])c1cccc(F)c1N1CCN(CCO)CC1 ZINC000286740185 353607419 /nfs/dbraw/zinc/60/74/19/353607419.db2.gz FBVKOWURAVEIBF-UHFFFAOYSA-N 0 0 269.276 0.848 20 5 CCBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCOCC1 ZINC000286769589 353608758 /nfs/dbraw/zinc/60/87/58/353608758.db2.gz NJWUNWQASZHQJY-ZETCQYMHSA-N 0 0 268.273 0.863 20 5 CCBDRN C[C@H]1OCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1C ZINC000286779625 353609570 /nfs/dbraw/zinc/60/95/70/353609570.db2.gz OKYWBLUTRAIZNT-RNFRBKRXSA-N 0 0 254.246 0.567 20 5 CCBDRN CC[C@H](C)[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286849785 353614259 /nfs/dbraw/zinc/61/42/59/353614259.db2.gz WUASXECLWRZAFO-XPUUQOCRSA-N 0 0 256.262 0.455 20 5 CCBDRN CC1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])OCCO1 ZINC000290889644 353756457 /nfs/dbraw/zinc/75/64/57/353756457.db2.gz CSEDXZSPJWTSGL-UHFFFAOYSA-N 0 0 282.256 0.264 20 5 CCBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](n2cccn2)C1 ZINC000291124277 353769212 /nfs/dbraw/zinc/76/92/12/353769212.db2.gz GGIPIBXJRRTJDM-MRVPVSSYSA-N 0 0 276.256 0.602 20 5 CCBDRN CCOC1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000293306417 353802804 /nfs/dbraw/zinc/80/28/04/353802804.db2.gz DUNXAOWXYGFKEK-UHFFFAOYSA-N 0 0 293.279 0.781 20 5 CCBDRN Cc1nc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)nn1C ZINC000293779700 353839441 /nfs/dbraw/zinc/83/94/41/353839441.db2.gz VXASDSSKVJXVID-UHFFFAOYSA-N 0 0 251.206 0.007 20 5 CCBDRN COC1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000295458707 353895665 /nfs/dbraw/zinc/89/56/65/353895665.db2.gz XFTSAUSDUMMZAY-UHFFFAOYSA-N 0 0 282.300 0.867 20 5 CCBDRN CC[C@@H](CO)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000294174265 353875996 /nfs/dbraw/zinc/87/59/96/353875996.db2.gz RQPCUUTXBFMKDJ-VIFPVBQESA-N 0 0 288.325 0.986 20 5 CCBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H](O)C(F)F ZINC000295471700 353896800 /nfs/dbraw/zinc/89/68/00/353896800.db2.gz MNMGGTBUGIRKGH-FBCQKBJTSA-N 0 0 278.215 0.452 20 5 CCBDRN CCC[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)OC ZINC000295432708 353894063 /nfs/dbraw/zinc/89/40/63/353894063.db2.gz NPEWRLMVUXFWPP-SSDOTTSWSA-N 0 0 256.262 0.863 20 5 CCBDRN COC(=O)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000293910347 353850453 /nfs/dbraw/zinc/85/04/53/353850453.db2.gz GJAGTOUREZOOBP-SNVBAGLBSA-N 0 0 297.267 0.095 20 5 CCBDRN COc1cc(C(=O)N2CC(=O)N[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000295818286 353919893 /nfs/dbraw/zinc/91/98/93/353919893.db2.gz CAKCNVJXNCMEBQ-MRVPVSSYSA-N 0 0 293.279 0.564 20 5 CCBDRN CCC1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000295929555 353924761 /nfs/dbraw/zinc/92/47/61/353924761.db2.gz PJXQSQPFIJKURM-UHFFFAOYSA-N 0 0 265.269 0.815 20 5 CCBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(=O)N[C@@H](C)C1 ZINC000296341525 353943130 /nfs/dbraw/zinc/94/31/30/353943130.db2.gz UKXBWILXVRIDDD-QMMMGPOBSA-N 0 0 293.279 0.564 20 5 CCBDRN COCCOC[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000296345011 353943511 /nfs/dbraw/zinc/94/35/11/353943511.db2.gz UQTOBRWRYLTIAE-NSHDSACASA-N 0 0 271.269 0.998 20 5 CCBDRN COCC1(O)CN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000295509555 353900060 /nfs/dbraw/zinc/90/00/60/353900060.db2.gz HGRWKZHKEDNILJ-UHFFFAOYSA-N 0 0 266.253 0.428 20 5 CCBDRN CS[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000295541270 353902809 /nfs/dbraw/zinc/90/28/09/353902809.db2.gz LBVVRLFUXBALHN-JTQLQIEISA-N 0 0 297.336 0.720 20 5 CCBDRN COCCOCCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298866396 353974180 /nfs/dbraw/zinc/97/41/80/353974180.db2.gz IVSXHSWHXRNCKU-UHFFFAOYSA-N 0 0 271.273 0.706 20 5 CCBDRN COC(=O)Cc1ccc(N(C)CC(N)=O)c([N+](=O)[O-])c1 ZINC000296589061 353951958 /nfs/dbraw/zinc/95/19/58/353951958.db2.gz RVCYHCYISPIWDP-UHFFFAOYSA-N 0 0 281.268 0.232 20 5 CCBDRN C[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000299210982 353998440 /nfs/dbraw/zinc/99/84/40/353998440.db2.gz CYZKCEBQGJSCHX-UHFFFAOYSA-N 0 0 281.316 0.346 20 5 CCBDRN CNC(=O)CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000299229944 354000120 /nfs/dbraw/zinc/00/01/20/354000120.db2.gz QCDQRPQPUZFHLT-UHFFFAOYSA-N 0 0 295.295 0.534 20 5 CCBDRN Nc1nc(NC[C@H]2CCCCO2)ncc1[N+](=O)[O-] ZINC000299243082 354001266 /nfs/dbraw/zinc/00/12/66/354001266.db2.gz OKEGBWSZMSRSAT-SSDOTTSWSA-N 0 0 253.262 0.948 20 5 CCBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC(N)=O)cc1[N+](=O)[O-] ZINC000299280836 354005727 /nfs/dbraw/zinc/00/57/27/354005727.db2.gz ZQLFJCBKWUQNGW-UHFFFAOYSA-N 0 0 296.239 0.369 20 5 CCBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)NC(C)(C)C ZINC000299287716 354005745 /nfs/dbraw/zinc/00/57/45/354005745.db2.gz HHJYFWOAYAXBRA-ZETCQYMHSA-N 0 0 282.300 0.956 20 5 CCBDRN CCN(CCOC)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000299530649 354024783 /nfs/dbraw/zinc/02/47/83/354024783.db2.gz LSRCIYTZHLQRGD-UHFFFAOYSA-N 0 0 256.262 0.735 20 5 CCBDRN CC[C@@](C)(NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)OC ZINC000299546496 354026867 /nfs/dbraw/zinc/02/68/67/354026867.db2.gz VGNLJOLAKWWHLQ-LLVKDONJSA-N 0 0 284.272 0.249 20 5 CCBDRN C[C@H](CO)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000305087101 354129429 /nfs/dbraw/zinc/12/94/29/354129429.db2.gz XZJXZTWRADXUIH-ZETCQYMHSA-N 0 0 253.258 0.535 20 5 CCBDRN Nc1c(C(=O)NCC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000305073172 354127825 /nfs/dbraw/zinc/12/78/25/354127825.db2.gz KCHOZSLUJCLVSI-UHFFFAOYSA-N 0 0 265.269 0.679 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]1CCCO ZINC000305647699 354148775 /nfs/dbraw/zinc/14/87/75/354148775.db2.gz MJWOMPBYRSXTKR-NSHDSACASA-N 0 0 296.327 0.863 20 5 CCBDRN C[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1CO ZINC000305801534 354163108 /nfs/dbraw/zinc/16/31/08/354163108.db2.gz GGSFCXSEWTXEFQ-VHSXEESVSA-N 0 0 282.300 0.411 20 5 CCBDRN COCCOCCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000310830873 354192710 /nfs/dbraw/zinc/19/27/10/354192710.db2.gz LSEUHHFKUHOJNB-UHFFFAOYSA-N 0 0 256.262 0.647 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1O ZINC000322958574 354230223 /nfs/dbraw/zinc/23/02/23/354230223.db2.gz GLYFHOWAICELCV-WPRPVWTQSA-N 0 0 253.258 0.577 20 5 CCBDRN CN(C)S(=O)(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000330418604 354351055 /nfs/dbraw/zinc/35/10/55/354351055.db2.gz PTLJYFGJVJCJRH-UHFFFAOYSA-N 0 0 287.341 0.876 20 5 CCBDRN C[C@H]1OCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000165989960 188634421 /nfs/dbraw/zinc/63/44/21/188634421.db2.gz UEDWTKJFTHFLGS-NXEZZACHSA-N 0 0 295.295 0.392 20 5 CCBDRN Cc1nn(C)c(N[C@@H](C)C[S@](C)=O)c1[N+](=O)[O-] ZINC000168036608 188645863 /nfs/dbraw/zinc/64/58/63/188645863.db2.gz AAMDSKCJGGTAFR-QVHKOIDPSA-N 0 0 260.319 0.816 20 5 CCBDRN CN(CCN1CCOCC1)Cc1c([N+](=O)[O-])ncn1C ZINC000331070358 354438170 /nfs/dbraw/zinc/43/81/70/354438170.db2.gz RYQRTLNWVJWAMD-UHFFFAOYSA-N 0 0 283.332 0.092 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](OCCO)C1 ZINC000331082198 354443378 /nfs/dbraw/zinc/44/33/78/354443378.db2.gz ZLFSMWGSOWZPFQ-JTQLQIEISA-N 0 0 284.316 0.302 20 5 CCBDRN Cc1n[nH]c(C(=O)N(C)C[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000331102522 354450363 /nfs/dbraw/zinc/45/03/63/354450363.db2.gz GTONMOQVYQYHPR-MRVPVSSYSA-N 0 0 268.273 0.735 20 5 CCBDRN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000531886078 358487258 /nfs/dbraw/zinc/48/72/58/358487258.db2.gz GAEXFPOXBBWCQD-SNVBAGLBSA-N 0 0 279.252 0.671 20 5 CCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2O)cc1 ZINC000170270215 188671272 /nfs/dbraw/zinc/67/12/72/188671272.db2.gz WBQGRWSGZLSHSU-QWRGUYRKSA-N 0 0 286.309 0.787 20 5 CCBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCO[C@@H](CO)C1 ZINC000331167201 354475769 /nfs/dbraw/zinc/47/57/69/354475769.db2.gz FAPHATZNJWTAII-MRVPVSSYSA-N 0 0 272.282 0.490 20 5 CCBDRN CSC[C@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331173619 354477739 /nfs/dbraw/zinc/47/77/39/354477739.db2.gz GCRHTNVJXFKIAV-MRVPVSSYSA-N 0 0 285.329 0.540 20 5 CCBDRN CCc1n[nH]c(C(=O)N(C)CC[C@H](C)O)c1[N+](=O)[O-] ZINC000331078097 354441192 /nfs/dbraw/zinc/44/11/92/354441192.db2.gz JVOKKQOHJVITJW-ZETCQYMHSA-N 0 0 270.289 0.723 20 5 CCBDRN COC(=O)C(C)(C)N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000557499320 291034544 /nfs/dbraw/zinc/03/45/44/291034544.db2.gz MOGMZWAAMYNQSP-UHFFFAOYSA-N 0 0 283.284 0.957 20 5 CCBDRN C[C@@H](C[C@H]1CCCO1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000332358104 354653405 /nfs/dbraw/zinc/65/34/05/354653405.db2.gz XBXLDDVUPBJBRQ-GXSJLCMTSA-N 0 0 282.300 0.865 20 5 CCBDRN CN(C)C1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000332476352 354682907 /nfs/dbraw/zinc/68/29/07/354682907.db2.gz UDSDYSBAWMDYON-UHFFFAOYSA-N 0 0 299.352 0.670 20 5 CCBDRN O=C1[C@H](n2cnc([N+](=O)[O-])n2)CCN1CC(F)(F)F ZINC000332458621 354677818 /nfs/dbraw/zinc/67/78/18/354677818.db2.gz ZTEVJHBHCHRTAY-RXMQYKEDSA-N 0 0 279.178 0.522 20 5 CCBDRN COCCOCCN(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000295716319 199632828 /nfs/dbraw/zinc/63/28/28/199632828.db2.gz SQEJFVKYNHHYCA-UHFFFAOYSA-N 0 0 270.289 0.792 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]1CCO ZINC000336790052 355162835 /nfs/dbraw/zinc/16/28/35/355162835.db2.gz VQUHCATZTNZLJM-MRVPVSSYSA-N 0 0 253.258 0.910 20 5 CCBDRN CCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000336811996 355186139 /nfs/dbraw/zinc/18/61/39/355186139.db2.gz POYFVJJBGCQXRM-SNVBAGLBSA-N 0 0 265.269 0.979 20 5 CCBDRN CC(C)[C@@H](O)C1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000271797638 191333817 /nfs/dbraw/zinc/33/38/17/191333817.db2.gz DAWGLZFWTFVTCN-SNVBAGLBSA-N 0 0 282.300 0.845 20 5 CCBDRN CCOC[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000336830059 355204571 /nfs/dbraw/zinc/20/45/71/355204571.db2.gz BIDXROQGSZHCMM-SECBINFHSA-N 0 0 286.259 0.861 20 5 CCBDRN O=[N+]([O-])c1cnc(NCCc2nnc3n2CCC3)s1 ZINC000336925082 355227981 /nfs/dbraw/zinc/22/79/81/355227981.db2.gz KNURYEGBTBCDBU-UHFFFAOYSA-N 0 0 280.313 0.666 20 5 CCBDRN O=[N+]([O-])c1cnc(NCCc2cnccn2)s1 ZINC000336936560 355229458 /nfs/dbraw/zinc/22/94/58/355229458.db2.gz USLCYQZEKPUEEV-UHFFFAOYSA-N 0 0 251.271 0.918 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000337100402 355265064 /nfs/dbraw/zinc/26/50/64/355265064.db2.gz DIUQUPBWMDHAII-WPRPVWTQSA-N 0 0 282.300 0.641 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1(C(F)F)CC1 ZINC000337243606 355289098 /nfs/dbraw/zinc/28/90/98/355289098.db2.gz GPCZGWNQIZKXBB-UHFFFAOYSA-N 0 0 287.222 0.670 20 5 CCBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@](F)(CO)C1 ZINC000338745822 355410675 /nfs/dbraw/zinc/41/06/75/355410675.db2.gz XTZAOKMBAMCWQT-CYBMUJFWSA-N 0 0 298.270 0.907 20 5 CCBDRN Cc1ccnc(CNc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000338762976 355414891 /nfs/dbraw/zinc/41/48/91/355414891.db2.gz OJIQJPPQTCRMSY-UHFFFAOYSA-N 0 0 260.257 0.535 20 5 CCBDRN NC(=O)[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000338947229 355457845 /nfs/dbraw/zinc/45/78/45/355457845.db2.gz FNODRLJQXRXNTD-LBPRGKRZSA-N 0 0 279.296 0.923 20 5 CCBDRN Cc1nc(N[C@@H]2CCC(=O)N(C)C2=O)ncc1[N+](=O)[O-] ZINC000425278734 235279917 /nfs/dbraw/zinc/27/99/17/235279917.db2.gz FFAICUQSPFAUEM-SSDOTTSWSA-N 0 0 279.256 0.253 20 5 CCBDRN CC(C)(C)C(=O)NCCNc1ccncc1[N+](=O)[O-] ZINC000340153156 355512709 /nfs/dbraw/zinc/51/27/09/355512709.db2.gz ZRQAOESYHHAWBX-UHFFFAOYSA-N 0 0 266.301 0.986 20 5 CCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)c(F)c1 ZINC000425209817 235273127 /nfs/dbraw/zinc/27/31/27/235273127.db2.gz SEMHBZLOEUWBOJ-RKDXNWHRSA-N 0 0 290.272 0.536 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)CCO ZINC000340551957 355573605 /nfs/dbraw/zinc/57/36/05/355573605.db2.gz WNJQDZYPWDLRJG-VIFPVBQESA-N 0 0 284.316 0.625 20 5 CCBDRN CCCCN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532134280 358497075 /nfs/dbraw/zinc/49/70/75/358497075.db2.gz XPEYRRJHHCMKBE-UHFFFAOYSA-N 0 0 280.284 0.717 20 5 CCBDRN CCN(C[C@H](C)O)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000341324819 355652497 /nfs/dbraw/zinc/65/24/97/355652497.db2.gz SPWURVJMIPOSJO-ZETCQYMHSA-N 0 0 269.257 0.538 20 5 CCBDRN Cc1nc2n(n1)CCN(C(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000532143863 358497669 /nfs/dbraw/zinc/49/76/69/358497669.db2.gz CMNYDTXMYMPGSS-UHFFFAOYSA-N 0 0 288.267 0.546 20 5 CCBDRN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCOC1 ZINC000341170159 355621510 /nfs/dbraw/zinc/62/15/10/355621510.db2.gz YNOKHRMPLSJLMN-JTQLQIEISA-N 0 0 282.300 0.819 20 5 CCBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@H]1O ZINC000425806976 235316753 /nfs/dbraw/zinc/31/67/53/235316753.db2.gz OXJWBNFPIXZLOH-NXEZZACHSA-N 0 0 297.242 0.312 20 5 CCBDRN Cn1cncc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000426492567 235338025 /nfs/dbraw/zinc/33/80/25/235338025.db2.gz SNXVXPRQHOICMZ-UHFFFAOYSA-N 0 0 275.268 0.841 20 5 CCBDRN O=C(N[C@H](CO)CC(F)(F)F)c1c[nH]nc1[N+](=O)[O-] ZINC000558754484 291072432 /nfs/dbraw/zinc/07/24/32/291072432.db2.gz NIUTUPXPLKCCIO-BYPYZUCNSA-N 0 0 282.178 0.361 20 5 CCBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[S@@](=O)C1 ZINC000342743576 355734535 /nfs/dbraw/zinc/73/45/35/355734535.db2.gz QFZGXMXJEHMJAS-APBUJDDRSA-N 0 0 282.321 0.775 20 5 CCBDRN CC[C@@H]1CN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000342755792 355739207 /nfs/dbraw/zinc/73/92/07/355739207.db2.gz RAPQHGGTQDFOTJ-KCJUWKMLSA-N 0 0 295.295 0.984 20 5 CCBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[S@@](=O)C2)c1 ZINC000342765762 355740860 /nfs/dbraw/zinc/74/08/60/355740860.db2.gz RFWZBJAKKXSNQM-FFVOIRBGSA-N 0 0 298.320 0.854 20 5 CCBDRN Cc1c(C(=O)N(C)CCC(N)=O)cccc1[N+](=O)[O-] ZINC000343530172 355773404 /nfs/dbraw/zinc/77/34/04/355773404.db2.gz OSFGCWDQKSYWQU-UHFFFAOYSA-N 0 0 265.269 0.851 20 5 CCBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1nn[nH]n1 ZINC000342858468 355761019 /nfs/dbraw/zinc/76/10/19/355761019.db2.gz OYFZHVGIPOTJAV-UHFFFAOYSA-N 0 0 264.201 0.125 20 5 CCBDRN C[C@H]1CN(C)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343566032 355775277 /nfs/dbraw/zinc/77/52/77/355775277.db2.gz KPZCGCUULMQQRC-ZETCQYMHSA-N 0 0 253.262 0.094 20 5 CCBDRN O=C(N[C@H]1CCC[C@H]1CCO)c1c[nH]nc1[N+](=O)[O-] ZINC000559028673 291076162 /nfs/dbraw/zinc/07/61/62/291076162.db2.gz ZZIDVZPFZMCWJW-CBAPKCEASA-N 0 0 268.273 0.599 20 5 CCBDRN C[C@H]1[C@H](CO)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000427848575 235383817 /nfs/dbraw/zinc/38/38/17/235383817.db2.gz XPDQUHGJORTNGO-YUMQZZPRSA-N 0 0 268.273 0.171 20 5 CCBDRN O=[N+]([O-])c1ccc(OCc2nnnn2C2CC2)cc1CO ZINC000428091971 235394818 /nfs/dbraw/zinc/39/48/18/235394818.db2.gz OWRBSUGFUMZQRE-UHFFFAOYSA-N 0 0 291.267 0.988 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000428095048 235395227 /nfs/dbraw/zinc/39/52/27/235395227.db2.gz ISKQFDFXFTVZJK-VROVMSAKSA-N 0 0 250.258 0.706 20 5 CCBDRN O=[N+]([O-])c1c(N2C[C@H](O)C[C@@H]2CO)nc2sccn21 ZINC000378295144 137806782 /nfs/dbraw/zinc/80/67/82/137806782.db2.gz ONUOWEMOTKVINL-RNFRBKRXSA-N 0 0 284.297 0.236 20 5 CCBDRN NC(=O)[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000348231042 355892569 /nfs/dbraw/zinc/89/25/69/355892569.db2.gz NFDKRLHRPBGPHD-BQBZGAKWSA-N 0 0 280.288 0.253 20 5 CCBDRN Cc1cccc(C(=O)N[C@H]2CC(=O)N(C)C2=O)c1[N+](=O)[O-] ZINC000559287490 291080798 /nfs/dbraw/zinc/08/07/98/291080798.db2.gz VEZWBDXWTKZIKV-VIFPVBQESA-N 0 0 291.263 0.390 20 5 CCBDRN Cc1noc(CCCNC(=O)c2cc([N+](=O)[O-])nn2C)n1 ZINC000359497289 137952554 /nfs/dbraw/zinc/95/25/54/137952554.db2.gz AEXAGAPHSDNLSP-UHFFFAOYSA-N 0 0 294.271 0.382 20 5 CCBDRN CN1C(=O)C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000559273583 291079998 /nfs/dbraw/zinc/07/99/98/291079998.db2.gz URSRNJNNPBZJKB-JTQLQIEISA-N 0 0 291.263 0.011 20 5 CCBDRN O=C(NCCc1cscn1)c1cc([N+](=O)[O-])n[nH]1 ZINC000352720141 356062239 /nfs/dbraw/zinc/06/22/39/356062239.db2.gz RYFOUWCBTDSWGB-UHFFFAOYSA-N 0 0 267.270 0.747 20 5 CCBDRN CNS(=O)(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352601058 356027849 /nfs/dbraw/zinc/02/78/49/356027849.db2.gz YVORIVQHEPYUQE-UHFFFAOYSA-N 0 0 287.297 0.253 20 5 CCBDRN COC(=O)CCC(C)(C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352865497 356098838 /nfs/dbraw/zinc/09/88/38/356098838.db2.gz ZMDMMRGOJNOAAF-UHFFFAOYSA-N 0 0 284.272 0.780 20 5 CCBDRN Cc1cccc(C(=O)NCCOCC(N)=O)c1[N+](=O)[O-] ZINC000353173839 356170354 /nfs/dbraw/zinc/17/03/54/356170354.db2.gz LWVLSNUFHSMOBB-UHFFFAOYSA-N 0 0 281.268 0.135 20 5 CCBDRN Cc1cc(N2C[C@H](O)C[C@@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000360047984 137976101 /nfs/dbraw/zinc/97/61/01/137976101.db2.gz OYWRKGLMKNVNHQ-RKDXNWHRSA-N 0 0 270.260 0.974 20 5 CCBDRN COC(=O)c1cnc(N[C@H]2[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000360085189 137977211 /nfs/dbraw/zinc/97/72/11/137977211.db2.gz BANCMKZXLNJLHZ-MBTKJCJQSA-N 0 0 279.252 0.833 20 5 CCBDRN COC1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000353009503 356136903 /nfs/dbraw/zinc/13/69/03/356136903.db2.gz GRARDTMXXSKIDN-SNVBAGLBSA-N 0 0 282.296 0.665 20 5 CCBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC(N)=O)c1 ZINC000359711183 137961815 /nfs/dbraw/zinc/96/18/15/137961815.db2.gz NESGHMZUYIUIIM-ZETCQYMHSA-N 0 0 281.268 0.597 20 5 CCBDRN COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)o1 ZINC000353053647 356148046 /nfs/dbraw/zinc/14/80/46/356148046.db2.gz OAMULSCYVMOIFL-UHFFFAOYSA-N 0 0 294.223 0.628 20 5 CCBDRN O=[N+]([O-])c1ccc(NC[C@@H](CO)[C@@H]2CCOC2)nc1 ZINC000360268363 137986252 /nfs/dbraw/zinc/98/62/52/137986252.db2.gz SGABUQDSNIWCGA-ZJUUUORDSA-N 0 0 267.285 0.469 20 5 CCBDRN CN1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1=O ZINC000360484935 137996093 /nfs/dbraw/zinc/99/60/93/137996093.db2.gz BCIVWMVMBQSCTJ-UHFFFAOYSA-N 0 0 276.252 0.968 20 5 CCBDRN CC1(C)C(NC(=O)Cn2cnc([N+](=O)[O-])n2)C1(C)C ZINC000360209257 137983461 /nfs/dbraw/zinc/98/34/61/137983461.db2.gz YSCVLQMMBNOKQH-UHFFFAOYSA-N 0 0 267.289 0.737 20 5 CCBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CC(F)(F)F ZINC000360693018 138006927 /nfs/dbraw/zinc/00/69/27/138006927.db2.gz XPHLVULXCGRRHS-YFKPBYRVSA-N 0 0 296.205 0.371 20 5 CCBDRN Cc1nn(CCC(=O)NCC(C)(C)O)c(C)c1[N+](=O)[O-] ZINC000174833145 188920684 /nfs/dbraw/zinc/92/06/84/188920684.db2.gz WLMBZVDPWWZBDV-UHFFFAOYSA-N 0 0 284.316 0.685 20 5 CCBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000360751990 138009602 /nfs/dbraw/zinc/00/96/02/138009602.db2.gz CYQMMTMTCPCLPB-WPRPVWTQSA-N 0 0 282.300 0.609 20 5 CCBDRN O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1c[nH]cn1 ZINC000360894568 138014881 /nfs/dbraw/zinc/01/48/81/138014881.db2.gz UUCDZNXIGVBQSM-UHFFFAOYSA-N 0 0 296.308 0.839 20 5 CCBDRN CCn1c(C)nc([N+](=O)[O-])c1-n1cnnc1[S@](C)=O ZINC000360903202 138015756 /nfs/dbraw/zinc/01/57/56/138015756.db2.gz COCBGLXHWFZJRE-IBGZPJMESA-N 0 0 284.301 0.438 20 5 CCBDRN CNc1c(C(=O)N(C)[C@@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000360943801 138016703 /nfs/dbraw/zinc/01/67/03/138016703.db2.gz JRGOANNTWVJUJK-SNVBAGLBSA-N 0 0 292.295 0.597 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[C@@H](CO)C1 ZINC000360642316 138004081 /nfs/dbraw/zinc/00/40/81/138004081.db2.gz VGWSJWALKAKLHS-NXEZZACHSA-N 0 0 296.327 0.857 20 5 CCBDRN Cn1nncc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000360662110 138005031 /nfs/dbraw/zinc/00/50/31/138005031.db2.gz WSZDMBIGGIFNHV-UHFFFAOYSA-N 0 0 267.270 0.715 20 5 CCBDRN C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cn1C)[S@](C)=O ZINC000532245864 358501295 /nfs/dbraw/zinc/50/12/95/358501295.db2.gz RWAUSXDRNPEJNH-YLVJLNSGSA-N 0 0 287.341 0.820 20 5 CCBDRN CCN(C[C@H](C)OC)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000361082191 138020991 /nfs/dbraw/zinc/02/09/91/138020991.db2.gz NSKSXYCSDODFAE-QMMMGPOBSA-N 0 0 270.289 0.825 20 5 CCBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)NCCc1ccon1 ZINC000353878961 356309464 /nfs/dbraw/zinc/30/94/64/356309464.db2.gz HVUVKTGNQIXDSO-UHFFFAOYSA-N 0 0 277.240 0.533 20 5 CCBDRN Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)nn1 ZINC000361148822 138023408 /nfs/dbraw/zinc/02/34/08/138023408.db2.gz HJFGVKJWZQSABF-UHFFFAOYSA-N 0 0 262.229 0.558 20 5 CCBDRN Cc1ccn(C)c(=O)c1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354008371 356329235 /nfs/dbraw/zinc/32/92/35/356329235.db2.gz CRYSNEGZFHNYFA-UHFFFAOYSA-N 0 0 277.240 0.577 20 5 CCBDRN CSC[C@@H](CCO)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354060547 356338531 /nfs/dbraw/zinc/33/85/31/356338531.db2.gz FOSRLPRUTPVQME-ZCFIWIBFSA-N 0 0 274.302 0.162 20 5 CCBDRN CSC[C@H](CCO)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354060546 356338681 /nfs/dbraw/zinc/33/86/81/356338681.db2.gz FOSRLPRUTPVQME-LURJTMIESA-N 0 0 274.302 0.162 20 5 CCBDRN C/C=C\C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000354215963 356368243 /nfs/dbraw/zinc/36/82/43/356368243.db2.gz KUODOZUCTIUERU-YAJNLLPGSA-N 0 0 280.284 0.629 20 5 CCBDRN CCNC(=O)[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(C)C ZINC000354274432 356379763 /nfs/dbraw/zinc/37/97/63/356379763.db2.gz OPYZLHGYBVCKHS-LLVKDONJSA-N 0 0 297.315 0.068 20 5 CCBDRN O=C(N[C@]1(CO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000273610994 192229353 /nfs/dbraw/zinc/22/93/53/192229353.db2.gz VUHWMHWIQNDDSH-LBPRGKRZSA-N 0 0 266.253 0.476 20 5 CCBDRN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000362262180 138052545 /nfs/dbraw/zinc/05/25/45/138052545.db2.gz NSWALRAVTMURQZ-SNVBAGLBSA-N 0 0 283.259 0.657 20 5 CCBDRN CN(CC1(O)CCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354299853 356384883 /nfs/dbraw/zinc/38/48/83/356384883.db2.gz ZEHORFKVNQBJGL-UHFFFAOYSA-N 0 0 253.258 0.910 20 5 CCBDRN CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000354306686 356386673 /nfs/dbraw/zinc/38/66/73/356386673.db2.gz XPSMHKKRRJFVOC-UHFFFAOYSA-N 0 0 280.280 0.955 20 5 CCBDRN CCc1n[nH]c(C(=O)N2CCN(CC)C(=O)C2)c1[N+](=O)[O-] ZINC000273601422 192225541 /nfs/dbraw/zinc/22/55/41/192225541.db2.gz YQLOGHUEFLKVND-UHFFFAOYSA-N 0 0 295.299 0.185 20 5 CCBDRN COc1cccc(NCc2nnn(C)n2)c1[N+](=O)[O-] ZINC000362839703 138076737 /nfs/dbraw/zinc/07/67/37/138076737.db2.gz JCUGDYQVSODHOR-UHFFFAOYSA-N 0 0 264.245 0.739 20 5 CCBDRN Cn1nnc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000362945457 138081990 /nfs/dbraw/zinc/08/19/90/138081990.db2.gz SFVUGWPUPVYERL-UHFFFAOYSA-N 0 0 280.219 0.187 20 5 CCBDRN Cc1noc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])n1 ZINC000354388177 356404626 /nfs/dbraw/zinc/40/46/26/356404626.db2.gz JWKYJQXVSUBJPU-UHFFFAOYSA-N 0 0 277.240 0.798 20 5 CCBDRN Cc1cc(C(=O)Nc2c([N+](=O)[O-])cnn2C)on1 ZINC000354396478 356406564 /nfs/dbraw/zinc/40/65/64/356406564.db2.gz WCNMHRCSJWGJQP-UHFFFAOYSA-N 0 0 251.202 0.877 20 5 CCBDRN O=C(NCc1cccc(-n2cncn2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363233797 138088274 /nfs/dbraw/zinc/08/82/74/138088274.db2.gz BTSKQKSDNJOEFV-VXGBXAGGSA-N 0 0 287.279 0.549 20 5 CCBDRN CN(C1CC(O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354541391 356434989 /nfs/dbraw/zinc/43/49/89/356434989.db2.gz JAHXDCNKAXPMBR-UHFFFAOYSA-N 0 0 286.309 0.739 20 5 CCBDRN Cn1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000354567514 356440713 /nfs/dbraw/zinc/44/07/13/356440713.db2.gz OUYLRPYVSAPIHI-UHFFFAOYSA-N 0 0 263.257 0.629 20 5 CCBDRN Cn1ccc(CCNc2ccc3ncc([N+](=O)[O-])n3n2)n1 ZINC000354576201 356442208 /nfs/dbraw/zinc/44/22/08/356442208.db2.gz LEMPCMSALKZXSC-UHFFFAOYSA-N 0 0 287.283 0.448 20 5 CCBDRN COCCOC[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354734296 356486159 /nfs/dbraw/zinc/48/61/59/356486159.db2.gz FAMIJFWJECGRIP-VIFPVBQESA-N 0 0 297.311 0.958 20 5 CCBDRN Cc1nnc2n1C[C@@H](CNc1ncc([N+](=O)[O-])cn1)CC2 ZINC000273682613 192260947 /nfs/dbraw/zinc/26/09/47/192260947.db2.gz ZJNTXWJHOXPNLS-SECBINFHSA-N 0 0 289.299 0.959 20 5 CCBDRN CC1(C)OCC[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000295929623 199722069 /nfs/dbraw/zinc/72/20/69/199722069.db2.gz PKTMYZYRPGFIJL-MRVPVSSYSA-N 0 0 268.273 0.475 20 5 CCBDRN COc1ccc([N+](=O)[O-])cc1NCc1nnn(C)n1 ZINC000295992187 199745777 /nfs/dbraw/zinc/74/57/77/199745777.db2.gz NUXKAGZAMDDNHS-UHFFFAOYSA-N 0 0 264.245 0.739 20 5 CCBDRN Nc1nc(N2CCC[C@H](CCO)C2)ncc1[N+](=O)[O-] ZINC000609192623 363478523 /nfs/dbraw/zinc/47/85/23/363478523.db2.gz VTVZQXMGCFKWJS-MRVPVSSYSA-N 0 0 267.289 0.396 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC(n2ccnc2)C1 ZINC000609620253 363511322 /nfs/dbraw/zinc/51/13/22/363511322.db2.gz UBPMMDUIKOQWEL-UHFFFAOYSA-N 0 0 276.256 0.071 20 5 CCBDRN CN(CCN1CCCC1=O)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000609577798 363506284 /nfs/dbraw/zinc/50/62/84/363506284.db2.gz DWAYWTJDYBHDCF-UHFFFAOYSA-N 0 0 280.284 0.617 20 5 CCBDRN C[C@H](CO)N(CC1CCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000435860960 235682031 /nfs/dbraw/zinc/68/20/31/235682031.db2.gz RMCGZZJRKXKCOJ-SECBINFHSA-N 0 0 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0 0 279.300 0.736 20 5 CCBDRN CCOC(=O)[C@H](CCOC)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000343915305 137166640 /nfs/dbraw/zinc/16/66/40/137166640.db2.gz ZIFKGIWEYOZTQZ-VIFPVBQESA-N 0 0 299.283 0.621 20 5 CCBDRN COCC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(N)=O ZINC000343310210 137127422 /nfs/dbraw/zinc/12/74/22/137127422.db2.gz WIYDCNOVFPGSAG-LURJTMIESA-N 0 0 287.297 0.277 20 5 CCBDRN COC(=O)c1ccnc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000343400863 137132707 /nfs/dbraw/zinc/13/27/07/137132707.db2.gz KNMUKIZDGXJROU-UHFFFAOYSA-N 0 0 291.223 0.752 20 5 CCBDRN Cc1[nH]nc(C(=O)Nc2ccc(C(N)=O)cc2)c1[N+](=O)[O-] ZINC000344308824 137187836 /nfs/dbraw/zinc/18/78/36/137187836.db2.gz PPGHXRWSIJBUKH-UHFFFAOYSA-N 0 0 289.251 0.978 20 5 CCBDRN CCCNC(=O)NC(=O)Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000128673269 187383428 /nfs/dbraw/zinc/38/34/28/187383428.db2.gz QQYGEOFTOYQAKP-UHFFFAOYSA-N 0 0 296.283 0.301 20 5 CCBDRN C[C@@H](CS(C)(=O)=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000344427169 137193919 /nfs/dbraw/zinc/19/39/19/137193919.db2.gz ZPDHLFMIMIETTI-QMMMGPOBSA-N 0 0 273.314 0.859 20 5 CCBDRN C[C@H](CS(C)(=O)=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000344427168 137194098 /nfs/dbraw/zinc/19/40/98/137194098.db2.gz ZPDHLFMIMIETTI-MRVPVSSYSA-N 0 0 273.314 0.859 20 5 CCBDRN C[C@H](C[S@@](C)=O)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344405125 137193143 /nfs/dbraw/zinc/19/31/43/137193143.db2.gz NECXEPJCAQYWEG-FWCARGHBSA-N 0 0 274.302 0.157 20 5 CCBDRN CNC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000003510891 347983405 /nfs/dbraw/zinc/98/34/05/347983405.db2.gz HNERHOIOINURTH-UHFFFAOYSA-N 0 0 253.214 0.429 20 5 CCBDRN Cc1cc(C(=O)N2CC(CO)C2)cc([N+](=O)[O-])c1 ZINC000128706513 187385538 /nfs/dbraw/zinc/38/55/38/187385538.db2.gz BPTPQHXJMDAZFB-UHFFFAOYSA-N 0 0 250.254 0.968 20 5 CCBDRN NC(=O)c1ccc(Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000016114074 348043970 /nfs/dbraw/zinc/04/39/70/348043970.db2.gz FQWUOAZPKQRZFI-UHFFFAOYSA-N 0 0 273.248 0.904 20 5 CCBDRN COCCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000028498912 348106577 /nfs/dbraw/zinc/10/65/77/348106577.db2.gz QAXIAVVUJLESKH-UHFFFAOYSA-N 0 0 289.313 0.691 20 5 CCBDRN O=C(NCCc1ccccn1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000028814061 348108041 /nfs/dbraw/zinc/10/80/41/348108041.db2.gz GVLFZSOZHBXRTR-UHFFFAOYSA-N 0 0 288.263 0.651 20 5 CCBDRN CC(=O)CNC(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)cc1=O ZINC000344777812 137212804 /nfs/dbraw/zinc/21/28/04/137212804.db2.gz SHVJTTRPGZIKKF-VIFPVBQESA-N 0 0 281.268 0.331 20 5 CCBDRN CN(CC(=O)NC1CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000344785597 137213417 /nfs/dbraw/zinc/21/34/17/137213417.db2.gz RFDWVYXZMWPTIN-UHFFFAOYSA-N 0 0 280.284 0.284 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)C2CC2)CC1 ZINC000030636369 348119201 /nfs/dbraw/zinc/11/92/01/348119201.db2.gz YLWYODRKJQQRPE-UHFFFAOYSA-N 0 0 279.300 0.387 20 5 CCBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCNC(C)=O ZINC000031242633 348123828 /nfs/dbraw/zinc/12/38/28/348123828.db2.gz NGKHVANHWDBUTA-UHFFFAOYSA-N 0 0 295.295 0.859 20 5 CCBDRN C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000032683529 348137682 /nfs/dbraw/zinc/13/76/82/348137682.db2.gz DHEQPADUWXOBJY-RKDXNWHRSA-N 0 0 267.289 0.691 20 5 CCBDRN CC(=O)N[C@H](C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000033138600 348144878 /nfs/dbraw/zinc/14/48/78/348144878.db2.gz LBDNKPWGDKAUQT-SECBINFHSA-N 0 0 294.311 0.648 20 5 CCBDRN CN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000033341697 348145453 /nfs/dbraw/zinc/14/54/53/348145453.db2.gz XOYUXBMLJAUSMT-UHFFFAOYSA-N 0 0 279.296 0.748 20 5 CCBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(O)CC1 ZINC000035111018 348157234 /nfs/dbraw/zinc/15/72/34/348157234.db2.gz ARMGWJFUIWUVQK-UHFFFAOYSA-N 0 0 280.280 0.957 20 5 CCBDRN CCOC(=O)CN(CC)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000038015960 348224362 /nfs/dbraw/zinc/22/43/62/348224362.db2.gz JGCUOMLAEFDKIP-UHFFFAOYSA-N 0 0 269.257 0.948 20 5 CCBDRN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000087025819 179381767 /nfs/dbraw/zinc/38/17/67/179381767.db2.gz BUOIEIYHWDUGEC-MRVPVSSYSA-N 0 0 265.269 0.517 20 5 CCBDRN O=C(NCC[C@H]1CCOC1)Nc1ccncc1[N+](=O)[O-] ZINC000345127742 137235111 /nfs/dbraw/zinc/23/51/11/137235111.db2.gz BOFFIMIIRSLGEX-VIFPVBQESA-N 0 0 280.284 0.960 20 5 CCBDRN COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000040421374 348233828 /nfs/dbraw/zinc/23/38/28/348233828.db2.gz KCWAXBFDZDSPTK-UHFFFAOYSA-N 0 0 255.230 0.226 20 5 CCBDRN NC(=O)C1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000040454871 348234575 /nfs/dbraw/zinc/23/45/75/348234575.db2.gz QVCUNLCXMXXJRN-UHFFFAOYSA-N 0 0 265.273 0.841 20 5 CCBDRN CO[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])CCO1 ZINC000602895761 362870625 /nfs/dbraw/zinc/87/06/25/362870625.db2.gz DNTUSTOWKKYBKJ-VIFPVBQESA-N 0 0 257.246 0.696 20 5 CCBDRN COC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000042255753 348271570 /nfs/dbraw/zinc/27/15/70/348271570.db2.gz YIRFRJBFGBWBKW-UHFFFAOYSA-N 0 0 256.189 0.637 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(=O)NC(C)(C)C ZINC000345941596 137261139 /nfs/dbraw/zinc/26/11/39/137261139.db2.gz DEZGBOCLKKPOFU-UHFFFAOYSA-N 0 0 297.315 0.131 20 5 CCBDRN CCN(CC(=O)OC)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000042299117 348273202 /nfs/dbraw/zinc/27/32/02/348273202.db2.gz PNKGPVYRANSGGT-UHFFFAOYSA-N 0 0 269.257 0.568 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1COCCO1 ZINC000346072961 137265586 /nfs/dbraw/zinc/26/55/86/137265586.db2.gz GGXBIQJQXBDNKQ-SNVBAGLBSA-N 0 0 298.299 0.021 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1=CCCOC1 ZINC000345864122 137256351 /nfs/dbraw/zinc/25/63/51/137256351.db2.gz LUXUIZXQGHLCAH-UHFFFAOYSA-N 0 0 293.279 0.219 20 5 CCBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)[C@@H]2CCOC2)nc1 ZINC000346416290 137284957 /nfs/dbraw/zinc/28/49/57/137284957.db2.gz JQWAJBGXWJKMDR-PSASIEDQSA-N 0 0 253.258 0.799 20 5 CCBDRN CCCc1n[nH]c(C(=O)N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000346156508 137269994 /nfs/dbraw/zinc/26/99/94/137269994.db2.gz AZRNJRVFJUEDOD-MRVPVSSYSA-N 0 0 283.332 0.950 20 5 CCBDRN CCOC(=O)CCN(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000044474848 348320099 /nfs/dbraw/zinc/32/00/99/348320099.db2.gz JBHKGLGPBYDCOX-UHFFFAOYSA-N 0 0 283.284 0.959 20 5 CCBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)NCC(F)F ZINC000347040986 137317265 /nfs/dbraw/zinc/31/72/65/137317265.db2.gz JVTZELQTXMKRFZ-UHFFFAOYSA-N 0 0 287.222 0.592 20 5 CCBDRN NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000339449074 215179138 /nfs/dbraw/zinc/17/91/38/215179138.db2.gz MNPOQIUZYQVVGG-UHFFFAOYSA-N 0 0 284.297 0.493 20 5 CCBDRN COC[C@@H](O)CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000536564975 290856318 /nfs/dbraw/zinc/85/63/18/290856318.db2.gz XYMVZZNWYCSIHW-VIFPVBQESA-N 0 0 269.257 0.117 20 5 CCBDRN CCCN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000346937055 137312234 /nfs/dbraw/zinc/31/22/34/137312234.db2.gz INGXMVYOALWCLD-UHFFFAOYSA-N 0 0 295.295 0.941 20 5 CCBDRN CCn1cnnc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000047020594 348368968 /nfs/dbraw/zinc/36/89/68/348368968.db2.gz WOAYXVGUEQBGOZ-UHFFFAOYSA-N 0 0 265.229 0.729 20 5 CCBDRN COC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H]1C ZINC000347129819 137321818 /nfs/dbraw/zinc/32/18/18/137321818.db2.gz LAKHJGBLEISCER-DTWKUNHWSA-N 0 0 295.295 0.957 20 5 CCBDRN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCOC[C@@H]1C ZINC000602960090 362909337 /nfs/dbraw/zinc/90/93/37/362909337.db2.gz IXVQMTUNPCRHTF-VIFPVBQESA-N 0 0 280.284 0.973 20 5 CCBDRN Cc1c(CS(=O)(=O)CC(N)=O)cccc1[N+](=O)[O-] ZINC000048497424 348412160 /nfs/dbraw/zinc/41/21/60/348412160.db2.gz XTAKEPGMPLOUIN-UHFFFAOYSA-N 0 0 272.282 0.303 20 5 CCBDRN C[C@@]1(F)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347276380 137328352 /nfs/dbraw/zinc/32/83/52/137328352.db2.gz IGONJZDFKAFKHW-SNVBAGLBSA-N 0 0 256.237 0.752 20 5 CCBDRN Cn1c(C(=O)N[C@@H](C(N)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000347419279 137335458 /nfs/dbraw/zinc/33/54/58/137335458.db2.gz LFPOEASSUZIQLO-VIFPVBQESA-N 0 0 282.300 0.563 20 5 CCBDRN Cn1c(C(=O)N[C@H](C(N)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000347419270 137335645 /nfs/dbraw/zinc/33/56/45/137335645.db2.gz LFPOEASSUZIQLO-SECBINFHSA-N 0 0 282.300 0.563 20 5 CCBDRN COC(=O)[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C1CC1 ZINC000347444070 137337306 /nfs/dbraw/zinc/33/73/06/137337306.db2.gz XNQOPBPFTWCOIF-QMMMGPOBSA-N 0 0 282.256 0.010 20 5 CCBDRN C[C@H]1COCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000347454276 137337947 /nfs/dbraw/zinc/33/79/47/137337947.db2.gz WQACFFNONQLUNO-MRVPVSSYSA-N 0 0 268.273 0.437 20 5 CCBDRN O=[N+]([O-])c1c(NCCOCCO)nc2sccn21 ZINC000048935735 348430887 /nfs/dbraw/zinc/43/08/87/348430887.db2.gz WVWBJSNFMPAMBF-UHFFFAOYSA-N 0 0 272.286 0.725 20 5 CCBDRN Cc1n[nH]c(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000349407633 137393159 /nfs/dbraw/zinc/39/31/59/137393159.db2.gz OTRTYEZXRLKQFH-YUMQZZPRSA-N 0 0 295.299 0.400 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nnc3ccccn32)n1 ZINC000347760289 137355164 /nfs/dbraw/zinc/35/51/64/137355164.db2.gz TWBOVGLFGMISHP-UHFFFAOYSA-N 0 0 287.239 0.623 20 5 CCBDRN C[C@@](O)(CNc1ccc2ncc([N+](=O)[O-])n2n1)C1CC1 ZINC000347890843 137362626 /nfs/dbraw/zinc/36/26/26/137362626.db2.gz 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ZINC000286522044 196629812 /nfs/dbraw/zinc/62/98/12/196629812.db2.gz XOASJKVGKDSSJE-CYBMUJFWSA-N 0 0 295.295 0.945 20 5 CCBDRN O=C(N[C@@H]1Cc2cccc(O)c2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000355333730 227643185 /nfs/dbraw/zinc/64/31/85/227643185.db2.gz HUCYBLBLHOLGBA-MRVPVSSYSA-N 0 0 288.263 0.921 20 5 CCBDRN C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C(N)=O)C1 ZINC000426243851 287593690 /nfs/dbraw/zinc/59/36/90/287593690.db2.gz FMRGIWRZSNWYER-RKDXNWHRSA-N 0 0 281.316 0.414 20 5 CCBDRN C[C@@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H]1O ZINC000420609253 287601219 /nfs/dbraw/zinc/60/12/19/287601219.db2.gz JWQUTYULOXTLMD-LDYMZIIASA-N 0 0 279.296 0.901 20 5 CCBDRN CNc1nccc(C(=O)NCCNC(=O)OC)c1[N+](=O)[O-] ZINC000496170868 420318887 /nfs/dbraw/zinc/31/88/87/420318887.db2.gz ODBJMWLBWUCYJN-UHFFFAOYSA-N 0 0 297.271 0.117 20 5 CCBDRN COC[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000519954077 260028359 /nfs/dbraw/zinc/02/83/59/260028359.db2.gz GHJAVRMSEGTYFW-QMMMGPOBSA-N 0 0 255.274 0.946 20 5 CCBDRN 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LVZFTBXUSOIMEK-BDAKNGLRSA-N 0 0 253.258 0.812 20 5 CCBDRN C[C@@H]1C[C@H](N2CCOCC2)CN1c1ncc([N+](=O)[O-])cn1 ZINC000286316037 278974808 /nfs/dbraw/zinc/97/48/08/278974808.db2.gz KNBXQDURVBJUCR-MNOVXSKESA-N 0 0 293.327 0.684 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C1CC1)C1COC1 ZINC000452597764 279109374 /nfs/dbraw/zinc/10/93/74/279109374.db2.gz QHHYVCARDHMEDJ-UHFFFAOYSA-N 0 0 294.311 0.880 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H](Cc1ccccc1)C(N)=O ZINC000339222811 279385156 /nfs/dbraw/zinc/38/51/56/279385156.db2.gz FGNWURFAQRIEJY-JTQLQIEISA-N 0 0 289.295 0.837 20 5 CCBDRN O=C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CCN1 ZINC000265602083 280255684 /nfs/dbraw/zinc/25/56/84/280255684.db2.gz ZZNAJSIOMQUWRZ-UHFFFAOYSA-N 0 0 270.676 0.970 20 5 CCBDRN O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](CO)[C@@H](O)C1 ZINC000302713848 280360380 /nfs/dbraw/zinc/36/03/80/280360380.db2.gz FBWSJTJOVUABNO-PELKAZGASA-N 0 0 270.260 0.913 20 5 CCBDRN O=[N+]([O-])c1ccc2c(c1)CN([C@@H]1COC[C@@H]1O)CC2 ZINC000361313301 280370455 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0 270.285 0.309 20 5 CCBDRN CNC(=O)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886072230 616693062 /nfs/dbraw/zinc/69/30/62/616693062.db2.gz BBBZOAFJCMZCOT-UHFFFAOYSA-N 0 0 279.300 0.447 20 5 CCBDRN COC(=O)C[C@H](O)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000858779146 616704544 /nfs/dbraw/zinc/70/45/44/616704544.db2.gz IMDDFLPPVXEYTD-QMMMGPOBSA-N 0 0 269.257 0.634 20 5 CCBDRN CNC(=O)NCCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854495918 616728571 /nfs/dbraw/zinc/72/85/71/616728571.db2.gz YCERAJKWDAEVTQ-UHFFFAOYSA-N 0 0 281.272 0.435 20 5 CCBDRN CO[C@@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@H]1O ZINC000836956384 616756024 /nfs/dbraw/zinc/75/60/24/616756024.db2.gz DOYDUTODXKVLHU-GHMZBOCLSA-N 0 0 298.270 0.874 20 5 CCBDRN COC[C@H](OC)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854496374 616757139 /nfs/dbraw/zinc/75/71/39/616757139.db2.gz KHJJNSSTULGTEX-JTQLQIEISA-N 0 0 269.257 0.777 20 5 CCBDRN COC[C@H]1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2C)N1C ZINC000871601142 616763654 /nfs/dbraw/zinc/76/36/54/616763654.db2.gz HZZVTICGBLGTTJ-RYUDHWBXSA-N 0 0 279.296 0.978 20 5 CCBDRN COC(=O)[C@]1(F)CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876795289 616772792 /nfs/dbraw/zinc/77/27/92/616772792.db2.gz MOMWQFDZAALGDI-NSHDSACASA-N 0 0 286.263 0.415 20 5 CCBDRN CNC(=O)[C@@H](Cc1ccccc1)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673395 616798117 /nfs/dbraw/zinc/79/81/17/616798117.db2.gz NKGGGCOZQIUOFJ-IJLUTSLNSA-N 0 0 292.291 0.552 20 5 CCBDRN COC[C@H]1COCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933337907 616805888 /nfs/dbraw/zinc/80/58/88/616805888.db2.gz WNVWFPREGNSNEK-UONOGXRCSA-N 0 0 296.323 0.975 20 5 CCBDRN CNC(=O)[C@@H](O)CNc1cccc(OC)c1[N+](=O)[O-] ZINC000808047965 616807197 /nfs/dbraw/zinc/80/71/97/616807197.db2.gz DKOHZUAPOBQULY-QMMMGPOBSA-N 0 0 269.257 0.122 20 5 CCBDRN COC(=O)c1cc(C(=O)O[C@H](C)C[N+](=O)[O-])on1 ZINC000814036563 616834127 /nfs/dbraw/zinc/83/41/27/616834127.db2.gz ZYWRNECZCCJYNR-RXMQYKEDSA-N 0 0 258.186 0.283 20 5 CCBDRN CNC(=O)[C@H](O)CNc1ccc([N+](=O)[O-])cc1C ZINC000808047755 616873673 /nfs/dbraw/zinc/87/36/73/616873673.db2.gz VIKGSFOHGIZOGI-SNVBAGLBSA-N 0 0 253.258 0.422 20 5 CCBDRN CO[C@@H]1[C@H](C)[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1(C)C ZINC000839721158 616893683 /nfs/dbraw/zinc/89/36/83/616893683.db2.gz OJRQBFCBNFUGML-VVULQXIFSA-N 0 0 256.302 0.827 20 5 CCBDRN CO[C@@](C)(C(=O)OCCn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000813071946 616901189 /nfs/dbraw/zinc/90/11/89/616901189.db2.gz GPZDEBDDBYCVES-LLVKDONJSA-N 0 0 284.272 0.545 20 5 CCBDRN COC[C@@H](O)CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000856752962 616924844 /nfs/dbraw/zinc/92/48/44/616924844.db2.gz SVHUHYROZIHSMU-ZETCQYMHSA-N 0 0 285.256 0.196 20 5 CCBDRN COC(=O)c1cccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839700754 616927612 /nfs/dbraw/zinc/92/76/12/616927612.db2.gz IDYXTIBYPLCFPT-GHMZBOCLSA-N 0 0 278.264 0.755 20 5 CCBDRN COC(=O)[C@@H](C)OC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848786169 616950293 /nfs/dbraw/zinc/95/02/93/616950293.db2.gz HUBOUUZHGXBADC-RXMQYKEDSA-N 0 0 269.213 0.290 20 5 CCBDRN COC(=O)[C@@H](F)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000838064449 616998815 /nfs/dbraw/zinc/99/88/15/616998815.db2.gz KYUAIIDCIXEBFO-YFKPBYRVSA-N 0 0 276.245 0.897 20 5 CCBDRN CNS(=O)(=O)CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000856731620 617017903 /nfs/dbraw/zinc/01/79/03/617017903.db2.gz QMBBWILRTOWHEL-UHFFFAOYSA-N 0 0 299.352 0.502 20 5 CCBDRN CON(C)C(=O)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000817663546 617026042 /nfs/dbraw/zinc/02/60/42/617026042.db2.gz JRFXWWFCWFEJHC-UHFFFAOYSA-N 0 0 297.267 0.110 20 5 CCBDRN CON(C)C(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000863699110 617052353 /nfs/dbraw/zinc/05/23/53/617052353.db2.gz PUPCVVJDKKZJIL-MRVPVSSYSA-N 0 0 281.268 0.733 20 5 CCBDRN CNc1ccc(C(=O)N2CCN(OC)CC2)cc1[N+](=O)[O-] ZINC000854864912 617062335 /nfs/dbraw/zinc/06/23/35/617062335.db2.gz CEGWAZLUABHRHS-UHFFFAOYSA-N 0 0 294.311 0.956 20 5 CCBDRN CNc1ccc(C(=O)NN2CCOC2=O)cc1[N+](=O)[O-] ZINC000862695752 617063132 /nfs/dbraw/zinc/06/31/32/617063132.db2.gz DIEGORGYSXDCSC-UHFFFAOYSA-N 0 0 280.240 0.734 20 5 CCBDRN CON(C)C(=O)[C@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000863623294 617067272 /nfs/dbraw/zinc/06/72/72/617067272.db2.gz KLKZCJXDFCUMGO-ZETCQYMHSA-N 0 0 296.283 0.315 20 5 CCBDRN CON(C)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000863627858 617067722 /nfs/dbraw/zinc/06/77/22/617067722.db2.gz CZUXUCDLSFCCCM-ZETCQYMHSA-N 0 0 296.283 0.315 20 5 CCBDRN CON(C)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870853681 617072336 /nfs/dbraw/zinc/07/23/36/617072336.db2.gz CEWIKAAWYXIPBB-LLVKDONJSA-N 0 0 253.258 0.789 20 5 CCBDRN CON(CC1CCOCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000801594842 617083288 /nfs/dbraw/zinc/08/32/88/617083288.db2.gz AIXDOZWNKZOURU-UHFFFAOYSA-N 0 0 299.287 0.003 20 5 CCBDRN CON1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000854860207 617090462 /nfs/dbraw/zinc/09/04/62/617090462.db2.gz ZYHLCZXVZWXDKD-UHFFFAOYSA-N 0 0 266.257 0.309 20 5 CCBDRN CONC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000872649879 617109535 /nfs/dbraw/zinc/10/95/35/617109535.db2.gz NMXUKPWZTNSYIE-UHFFFAOYSA-N 0 0 280.284 0.884 20 5 CCBDRN CO[C@@H](COC(=O)Cn1cnc([N+](=O)[O-])n1)C(C)C ZINC000816353828 617169898 /nfs/dbraw/zinc/16/98/98/617169898.db2.gz SUJJNBGEVAALPQ-QMMMGPOBSA-N 0 0 272.261 0.401 20 5 CCBDRN CNC(=O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000025201135 625484823 /nfs/dbraw/zinc/48/48/23/625484823.db2.gz FMJUNDKFRUYUEL-UHFFFAOYSA-N 0 0 296.239 0.287 20 5 CCBDRN CS(=O)(=O)CCSCCn1ccc([N+](=O)[O-])n1 ZINC000178518400 622615146 /nfs/dbraw/zinc/61/51/46/622615146.db2.gz BKBDQGQUUZZYPS-UHFFFAOYSA-N 0 0 279.343 0.569 20 5 CCBDRN C[C@@H](C(=O)OCCn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000176673410 622717685 /nfs/dbraw/zinc/71/76/85/622717685.db2.gz LSPUWRZWKLIQLV-SSDOTTSWSA-N 0 0 254.246 0.776 20 5 CCBDRN O=[N+]([O-])c1ccn(CCN2CC[C@H](O)[C@H](F)C2)n1 ZINC000934575462 622761246 /nfs/dbraw/zinc/76/12/46/622761246.db2.gz NYUZVMXLRXUEEK-BDAKNGLRSA-N 0 0 258.253 0.196 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]1CO ZINC000889134860 622819992 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ZINC000177774906 623466860 /nfs/dbraw/zinc/46/68/60/623466860.db2.gz YBWQMQVRKUJIOC-UHFFFAOYSA-N 0 0 257.246 0.761 20 5 CCBDRN C[C@@H](CNc1c([N+](=O)[O-])cnn1C)CN1CCOCC1 ZINC000892623012 623597577 /nfs/dbraw/zinc/59/75/77/623597577.db2.gz TWEYGWSGLCOFSG-JTQLQIEISA-N 0 0 283.332 0.709 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1N[C@H]1CC(C)(C)OC1=O ZINC000892958125 623895527 /nfs/dbraw/zinc/89/55/27/623895527.db2.gz XXBLGHGLUOYQFT-LURJTMIESA-N 0 0 254.246 0.834 20 5 CCBDRN C[C@@H](COC(=O)[C@@H]1CCCCS1(=O)=O)[N+](=O)[O-] ZINC000813103878 624649315 /nfs/dbraw/zinc/64/93/15/624649315.db2.gz HQBHIRUOVGDIOY-YUMQZZPRSA-N 0 0 265.287 0.162 20 5 CCBDRN CCNC(=O)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255059396 624654634 /nfs/dbraw/zinc/65/46/34/624654634.db2.gz NLJHTOLWXPTXFG-YVMONPNESA-N 0 0 277.280 0.860 20 5 CCBDRN Cc1nn(C)c(C(=O)N[C@@H]2COC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000891063673 624705120 /nfs/dbraw/zinc/70/51/20/624705120.db2.gz HCCIYZBUDBPRHF-NXEZZACHSA-N 0 0 294.311 0.792 20 5 CCBDRN NC(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000160658241 624816273 /nfs/dbraw/zinc/81/62/73/624816273.db2.gz DHARNTFAZHFZTE-UHFFFAOYSA-N 0 0 277.236 0.647 20 5 CCBDRN C[C@H]1CO[C@@H](C(=O)Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000891344289 624819451 /nfs/dbraw/zinc/81/94/51/624819451.db2.gz FOOIGGCSEUBSRU-RNFRBKRXSA-N 0 0 254.246 0.692 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1NC(=O)C[C@@H]1CCCO1 ZINC000891347344 624820445 /nfs/dbraw/zinc/82/04/45/624820445.db2.gz IQTCHEDEVZLLKI-ZETCQYMHSA-N 0 0 254.246 0.836 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(N)nc1 ZINC000308375778 624869166 /nfs/dbraw/zinc/86/91/66/624869166.db2.gz LSTBQBJWRNEMCQ-UHFFFAOYSA-N 0 0 275.268 0.841 20 5 CCBDRN O=C(CN1CC[C@@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934023641 625005924 /nfs/dbraw/zinc/00/59/24/625005924.db2.gz SVIOQBPQOIPJLI-GFCCVEGCSA-N 0 0 291.307 0.551 20 5 CCBDRN C[C@H](O)CN(CCO)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000313321832 625768441 /nfs/dbraw/zinc/76/84/41/625768441.db2.gz 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CCBDRN Nc1ccc(C(=O)OC[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000835984379 642679447 /nfs/dbraw/zinc/67/94/47/642679447.db2.gz ILRMKHZBORITNS-VIFPVBQESA-N 0 0 293.279 0.860 20 5 CCBDRN C[C@@H]1[C@H](O)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000837018805 642720472 /nfs/dbraw/zinc/72/04/72/642720472.db2.gz XTIZRODKFUWBFD-RDDDGLTNSA-N 0 0 265.269 0.772 20 5 CCBDRN Cn1cnc(=O)n1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000840777459 642790873 /nfs/dbraw/zinc/79/08/73/642790873.db2.gz VGKGQVPTLRMLKD-SNVBAGLBSA-N 0 0 264.241 0.224 20 5 CCBDRN Cc1nn(C)c2c1N(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000841145970 642804810 /nfs/dbraw/zinc/80/48/10/642804810.db2.gz PMXJAVWLGQSMFU-HTQZYQBOSA-N 0 0 266.257 0.119 20 5 CCBDRN O=C(Cc1ccccc1[N+](=O)[O-])OC[C@]1(O)CCOC1 ZINC000842389707 642896359 /nfs/dbraw/zinc/89/63/59/642896359.db2.gz BPKZJIHVFCTMEJ-ZDUSSCGKSA-N 0 0 281.264 0.832 20 5 CCBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCn1cnnn1 ZINC000844629456 643230466 /nfs/dbraw/zinc/23/04/66/643230466.db2.gz MFSQLTGITVIRFS-UHFFFAOYSA-N 0 0 291.271 0.711 20 5 CCBDRN O=C(Cc1ccccc1[N+](=O)[O-])OC[C@@H]1CCC(=O)N1 ZINC000845072363 643266725 /nfs/dbraw/zinc/26/67/25/643266725.db2.gz INKVFUSQYFLLQN-JTQLQIEISA-N 0 0 278.264 0.959 20 5 CCBDRN O=C(OC[C@H]1CN(C2CC2)C(=O)O1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000845174341 643286741 /nfs/dbraw/zinc/28/67/41/643286741.db2.gz DVUFYZKPBBMVQM-IWSPIJDZSA-N 0 0 270.241 0.178 20 5 CCBDRN C[C@@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)n1ccnc1 ZINC000845485963 643321762 /nfs/dbraw/zinc/32/17/62/643321762.db2.gz ZOJNDPKQMZAXDZ-VIFPVBQESA-N 0 0 294.271 0.577 20 5 CCBDRN Cc1ccc([N+](=O)[O-])c(N2CC(N3CC[C@@H](O)C3)C2)n1 ZINC000845721419 643340391 /nfs/dbraw/zinc/34/03/91/643340391.db2.gz CFTRZAYHUMGXNY-LLVKDONJSA-N 0 0 278.312 0.553 20 5 CCBDRN Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC000846119518 643380903 /nfs/dbraw/zinc/38/09/03/643380903.db2.gz GELXJDFGVHPIOA-SHYZEUOFSA-N 0 0 282.325 0.364 20 5 CCBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CCF ZINC000846566107 643424481 /nfs/dbraw/zinc/42/44/81/643424481.db2.gz ZIUDPXDCOQZAGI-LURJTMIESA-N 0 0 272.236 0.022 20 5 CCBDRN Cc1n[nH]c(C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000846609758 643430309 /nfs/dbraw/zinc/43/03/09/643430309.db2.gz SVGNZZLAGVRNQZ-OLQVQODUSA-N 0 0 272.211 0.963 20 5 CCBDRN C[C@H]1C[C@H](C(=O)OCc2cn(C)nc2[N+](=O)[O-])CO1 ZINC000847784842 643554677 /nfs/dbraw/zinc/55/46/77/643554677.db2.gz ASEMVLJUCFTPBS-YUMQZZPRSA-N 0 0 269.257 0.797 20 5 CCBDRN Cn1cc(COC(=O)[C@]2(C)CCOC2)c([N+](=O)[O-])n1 ZINC000847784508 643554823 /nfs/dbraw/zinc/55/48/23/643554823.db2.gz VJISDPAAGQOWPJ-LLVKDONJSA-N 0 0 269.257 0.798 20 5 CCBDRN C[C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1cscn1 ZINC000847813698 643558629 /nfs/dbraw/zinc/55/86/29/643558629.db2.gz IDPCAEVZZCNZJB-ZCFIWIBFSA-N 0 0 283.269 0.947 20 5 CCBDRN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C(=O)O1 ZINC000848077330 643591020 /nfs/dbraw/zinc/59/10/20/643591020.db2.gz IQZDWUPQJBJHBX-VDTYLAMSSA-N 0 0 253.214 0.357 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@]1(C)CC(C)(C)OC1=O ZINC000848150674 643610564 /nfs/dbraw/zinc/61/05/64/643610564.db2.gz QSJPQMDEGOOGHV-GFCCVEGCSA-N 0 0 296.283 0.542 20 5 CCBDRN O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000848385249 643630523 /nfs/dbraw/zinc/63/05/23/643630523.db2.gz TURBANZRNNBKHK-PSASIEDQSA-N 0 0 288.263 0.617 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccnn2C)n1 ZINC000848737613 643673993 /nfs/dbraw/zinc/67/39/93/643673993.db2.gz IAGNGKQJAHYWSE-UHFFFAOYSA-N 0 0 293.239 0.102 20 5 CCBDRN Nc1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000848766843 643676875 /nfs/dbraw/zinc/67/68/75/643676875.db2.gz ZWOAPLYAOWVQGD-WDEREUQCSA-N 0 0 278.312 0.432 20 5 CCBDRN C[C@H](O)CCOC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849799026 643758068 /nfs/dbraw/zinc/75/80/68/643758068.db2.gz ITZNLDOELJYSBU-GZMMTYOYSA-N 0 0 269.253 0.942 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850783491 643813280 /nfs/dbraw/zinc/81/32/80/643813280.db2.gz DUNNSYDKOHWWDZ-JZYVYDRUSA-N 0 0 281.268 0.535 20 5 CCBDRN C[C@@H](C[N+](=O)[O-])OC(=O)Cc1nnn(C(C)(C)C)n1 ZINC000851045662 643829050 /nfs/dbraw/zinc/82/90/50/643829050.db2.gz LWGMGUHHFFQJJD-ZETCQYMHSA-N 0 0 271.277 0.179 20 5 CCBDRN C[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1nccn1C ZINC000851575694 643856473 /nfs/dbraw/zinc/85/64/73/643856473.db2.gz ODSQBKZAIOWSSK-ZETCQYMHSA-N 0 0 279.256 0.980 20 5 CCBDRN C[C@@H](C[N+](=O)[O-])OC(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000853127471 644078032 /nfs/dbraw/zinc/07/80/32/644078032.db2.gz SOADYIDGXKBUCJ-MZTFZBDOSA-N 0 0 268.225 0.600 20 5 CCBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1nc[nH]n1 ZINC000853217126 644090954 /nfs/dbraw/zinc/09/09/54/644090954.db2.gz WLCUTOCBRWQKIF-LURJTMIESA-N 0 0 265.229 0.969 20 5 CCBDRN NC(=O)c1cc(NCC2OCCCO2)ccc1[N+](=O)[O-] ZINC000853519180 644114749 /nfs/dbraw/zinc/11/47/49/644114749.db2.gz DMWVGHGGTBLGAD-UHFFFAOYSA-N 0 0 281.268 0.869 20 5 CCBDRN O=C1CCCN1C[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000853595001 644125414 /nfs/dbraw/zinc/12/54/14/644125414.db2.gz LJXZUUSULZSNNP-NSHDSACASA-N 0 0 293.327 0.693 20 5 CCBDRN O=C1C[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])CO1 ZINC000853639819 644132627 /nfs/dbraw/zinc/13/26/27/644132627.db2.gz RRTVWZAPJPRVCS-YFKPBYRVSA-N 0 0 257.633 0.793 20 5 CCBDRN Cc1noc(COC(=O)[C@@H]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000853904703 644158411 /nfs/dbraw/zinc/15/84/11/644158411.db2.gz WLDUXCZDJINKDH-SSDOTTSWSA-N 0 0 283.240 0.461 20 5 CCBDRN Cc1noc(COC(=O)c2cc3n(n2)CCO3)c1[N+](=O)[O-] ZINC000853918633 644159554 /nfs/dbraw/zinc/15/95/54/644159554.db2.gz PTBBKENETSCIPG-UHFFFAOYSA-N 0 0 294.223 0.837 20 5 CCBDRN Nc1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000854496336 644214401 /nfs/dbraw/zinc/21/44/01/644214401.db2.gz JTZYGZVWPDVXPJ-SSDOTTSWSA-N 0 0 299.308 0.550 20 5 CCBDRN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC(O)(CO)C1 ZINC000854672047 644246393 /nfs/dbraw/zinc/24/63/93/644246393.db2.gz AUMHCVHSAXKUBH-UHFFFAOYSA-N 0 0 286.671 0.427 20 5 CCBDRN O=C(NC/C=C/CO)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855402289 644309688 /nfs/dbraw/zinc/30/96/88/644309688.db2.gz WWJLHUQWLWBOHD-FMBMQGQPSA-N 0 0 266.253 0.293 20 5 CCBDRN C[C@H](CO)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855460455 644321427 /nfs/dbraw/zinc/32/14/27/644321427.db2.gz DPNFUAJYTJVIAU-CHWFTXMASA-N 0 0 256.302 0.661 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](N2CCOC2=O)C1 ZINC000855508683 644329617 /nfs/dbraw/zinc/32/96/17/644329617.db2.gz MJKZAYULEKOPMO-QMMMGPOBSA-N 0 0 294.267 0.590 20 5 CCBDRN O=C(NCCO[C@H]1CC1(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855606825 644336116 /nfs/dbraw/zinc/33/61/16/644336116.db2.gz QYJOBYSSYMZVDW-QYNIQEEDSA-N 0 0 250.201 0.192 20 5 CCBDRN Cn1ncc(C2CC2)c1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855791284 644362693 /nfs/dbraw/zinc/36/26/93/644362693.db2.gz QWRLWOQAVVGZOU-PSASIEDQSA-N 0 0 264.285 0.579 20 5 CCBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC(=O)N1 ZINC000855932338 644376523 /nfs/dbraw/zinc/37/65/23/644376523.db2.gz FDRUWQLXQIAJIZ-LURJTMIESA-N 0 0 296.258 0.325 20 5 CCBDRN O=C(Nc1ccnc(OCCO)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000856285017 644406371 /nfs/dbraw/zinc/40/63/71/644406371.db2.gz VHLADKKORVVCBB-RKDXNWHRSA-N 0 0 267.241 0.056 20 5 CCBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](O)C1 ZINC000856395845 644416811 /nfs/dbraw/zinc/41/68/11/644416811.db2.gz ZMNXQGVDANORFD-FKQCQYRASA-N 0 0 251.242 0.430 20 5 CCBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000857279790 644491390 /nfs/dbraw/zinc/49/13/90/644491390.db2.gz DFOBELRJNZYACV-MTVMDMGHSA-N 0 0 284.312 0.040 20 5 CCBDRN NC(=O)COc1ccccc1C(=O)OCCC[N+](=O)[O-] ZINC000860913558 644838818 /nfs/dbraw/zinc/83/88/18/644838818.db2.gz FEZMAYYXNFYYHR-UHFFFAOYSA-N 0 0 282.252 0.374 20 5 CCBDRN O=C(OCCC[N+](=O)[O-])c1cccn2c(=O)[nH]nc12 ZINC000860920097 644839881 /nfs/dbraw/zinc/83/98/81/644839881.db2.gz RWGXQMRAWOSESY-UHFFFAOYSA-N 0 0 266.213 0.259 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCC[C@@H]2CCCNC2=O)n1 ZINC000861251867 644869785 /nfs/dbraw/zinc/86/97/85/644869785.db2.gz DCNHRBNWIOBSHT-QMMMGPOBSA-N 0 0 296.283 0.401 20 5 CCBDRN O=C(N[C@H]1COCCC1=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000862935119 645049190 /nfs/dbraw/zinc/04/91/90/645049190.db2.gz MLHMRQVCNVYOQZ-JQWIXIFHSA-N 0 0 294.263 0.102 20 5 CCBDRN C[C@@H]1[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CCS1(=O)=O ZINC000862989050 645053906 /nfs/dbraw/zinc/05/39/06/645053906.db2.gz VARCUGHPEQCCMY-RKDXNWHRSA-N 0 0 292.357 0.514 20 5 CCBDRN C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ncc([N+](=O)[O-])n1 ZINC000863375366 645091358 /nfs/dbraw/zinc/09/13/58/645091358.db2.gz PGVKJZGGJVSWCP-BDAKNGLRSA-N 0 0 267.289 0.881 20 5 CCBDRN C[C@@H]1CCCC[C@H]1NC(=O)Cn1ncc([N+](=O)[O-])n1 ZINC000863375369 645091578 /nfs/dbraw/zinc/09/15/78/645091578.db2.gz PGVKJZGGJVSWCP-RKDXNWHRSA-N 0 0 267.289 0.881 20 5 CCBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863759848 645126511 /nfs/dbraw/zinc/12/65/11/645126511.db2.gz ZTQSGNGYECWNNK-HTQZYQBOSA-N 0 0 291.263 0.422 20 5 CCBDRN C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC(=O)N1C ZINC000865760984 645412834 /nfs/dbraw/zinc/41/28/34/645412834.db2.gz QDJZYHPPBRADLM-MRVPVSSYSA-N 0 0 297.286 0.893 20 5 CCBDRN Cc1cnc(N2CC[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000866223162 645507079 /nfs/dbraw/zinc/50/70/79/645507079.db2.gz BDUDHMADZLXACG-ZJUUUORDSA-N 0 0 253.258 0.230 20 5 CCBDRN O=[N+]([O-])c1cccc(F)c1N1CC[C@@H](O)[C@@H](O)C1 ZINC000866224192 645509136 /nfs/dbraw/zinc/50/91/36/645509136.db2.gz RNZJVRQBTPIEOQ-ZJUUUORDSA-N 0 0 256.233 0.666 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@]23CCC[C@H]2OCC3)n1 ZINC000872274666 646235962 /nfs/dbraw/zinc/23/59/62/646235962.db2.gz CJTBOBSAIFMEJN-SKDRFNHKSA-N 0 0 280.284 0.770 20 5 CCBDRN O=C(NN1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000124782012 646418161 /nfs/dbraw/zinc/41/81/61/646418161.db2.gz YNJSLLGLYZLTTI-UHFFFAOYSA-N 0 0 266.257 0.826 20 5 CCBDRN Cn1cc(CN2CCO[C@H](C(F)F)C2)c([N+](=O)[O-])n1 ZINC000877502866 646820217 /nfs/dbraw/zinc/82/02/17/646820217.db2.gz UUYIBQWXYHGULQ-QMMMGPOBSA-N 0 0 276.243 0.794 20 5 CCBDRN CN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000879001831 647012017 /nfs/dbraw/zinc/01/20/17/647012017.db2.gz JIBFTQJFFTWKOV-ZIAGYGMSSA-N 0 0 295.339 0.237 20 5 CCBDRN Cc1nn(C)c(C(=O)OCCn2cccn2)c1[N+](=O)[O-] ZINC000128624524 647261218 /nfs/dbraw/zinc/26/12/18/647261218.db2.gz RVIFEVDJPVZBHA-UHFFFAOYSA-N 0 0 279.256 0.690 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](CF)C1 ZINC000881596063 647327610 /nfs/dbraw/zinc/32/76/10/647327610.db2.gz RPWISBNWNCMPBE-JTQLQIEISA-N 0 0 297.286 0.965 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(F)CC1 ZINC000881607568 647328332 /nfs/dbraw/zinc/32/83/32/647328332.db2.gz VAHJVNXVFMYHHP-UHFFFAOYSA-N 0 0 256.237 0.752 20 5 CCBDRN O=C(CCNc1ccnc(F)c1[N+](=O)[O-])N1CCOCC1 ZINC000881787194 647338951 /nfs/dbraw/zinc/33/89/51/647338951.db2.gz AHHSZNMUAYFTAX-UHFFFAOYSA-N 0 0 298.274 0.790 20 5 CCBDRN C[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC(=O)N1C ZINC000882315685 647395579 /nfs/dbraw/zinc/39/55/79/647395579.db2.gz LLQPVVBKHOLFNA-ZETCQYMHSA-N 0 0 268.248 0.796 20 5 CCBDRN O=C(C1CC1)N1CCCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000129912070 647436932 /nfs/dbraw/zinc/43/69/32/647436932.db2.gz ZRKNDGZGCSWRML-UHFFFAOYSA-N 0 0 293.327 0.693 20 5 CCBDRN O=C(NC1CCC2(COC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882771364 647443814 /nfs/dbraw/zinc/44/38/14/647443814.db2.gz ZRAXAMNJINUVPY-NXEZZACHSA-N 0 0 254.286 0.727 20 5 CCBDRN C[S@@](=O)CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000134714290 647747138 /nfs/dbraw/zinc/74/71/38/647747138.db2.gz YCMIJHDKKWDEBX-SFHVURJKSA-N 0 0 270.270 0.921 20 5 CCBDRN Cc1nn(C)c(C(=O)N2CCCC(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000885039521 647824538 /nfs/dbraw/zinc/82/45/38/647824538.db2.gz OJSLPXXQXSHHFR-MRVPVSSYSA-N 0 0 280.284 0.830 20 5 CCBDRN C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CCS1(=O)=O ZINC000886014664 647893540 /nfs/dbraw/zinc/89/35/40/647893540.db2.gz MXVNHHDAGANCKB-VIFPVBQESA-N 0 0 285.325 0.609 20 5 CCBDRN O=[N+]([O-])c1ncccc1CN1CC[C@@H](CO)[C@H](O)C1 ZINC000886166171 647911948 /nfs/dbraw/zinc/91/19/48/647911948.db2.gz ASANJKXRSZEUCK-WDEREUQCSA-N 0 0 267.285 0.165 20 5 CCBDRN C[C@H]1CCNC(=O)[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886187849 647916426 /nfs/dbraw/zinc/91/64/26/647916426.db2.gz CWFCQSDJXUOORQ-WPRPVWTQSA-N 0 0 264.285 0.604 20 5 CCBDRN C[C@H]1CC[C@H](C)N1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000886475509 647982192 /nfs/dbraw/zinc/98/21/92/647982192.db2.gz URJVZRXRWXETLD-YUMQZZPRSA-N 0 0 288.329 0.890 20 5 CCBDRN O=C(NC1(c2c(F)cccc2F)COC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000886632457 647993107 /nfs/dbraw/zinc/99/31/07/647993107.db2.gz TVBGVCNXCVHQRD-GMSGAONNSA-N 0 0 298.245 0.972 20 5 CCBDRN O=C(NC1([C@@H]2CCCCO2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000887087467 648068212 /nfs/dbraw/zinc/06/82/12/648068212.db2.gz RMPRMKSSDUEFCR-BBBLOLIVSA-N 0 0 254.286 0.870 20 5 CCBDRN NC(=O)[C@@H]1CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000112898312 648307589 /nfs/dbraw/zinc/30/75/89/648307589.db2.gz WVOABJUYAJXOOR-VIFPVBQESA-N 0 0 278.268 0.267 20 5 CCBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCCO ZINC000924682035 648377141 /nfs/dbraw/zinc/37/71/41/648377141.db2.gz CRIFYHHCGQOCOW-UHFFFAOYSA-N 0 0 296.235 0.428 20 5 CCBDRN Cc1cc(C(=O)N2CCOCN2)cc([N+](=O)[O-])c1 ZINC000928955086 648685290 /nfs/dbraw/zinc/68/52/90/648685290.db2.gz VFNXHJWGDZSNKP-UHFFFAOYSA-N 0 0 251.242 0.838 20 5 CCBDRN O=C(N1CCCCC1)N1CCN(CC[N+](=O)[O-])CC1 ZINC000929110289 648704645 /nfs/dbraw/zinc/70/46/45/648704645.db2.gz FCKHAWNPUCTGIV-UHFFFAOYSA-N 0 0 270.333 0.487 20 5 CCBDRN O=C1CCCCN1[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929629041 648769549 /nfs/dbraw/zinc/76/95/49/648769549.db2.gz LZPVYHLBIKCQGT-LLVKDONJSA-N 0 0 255.318 0.740 20 5 CCBDRN C[C@H]1CN(CC[N+](=O)[O-])CCN1C(=O)c1cscn1 ZINC000930680131 648889928 /nfs/dbraw/zinc/88/99/28/648889928.db2.gz YPTVNZQWVLMFFM-VIFPVBQESA-N 0 0 284.341 0.566 20 5 CCBDRN C[C@@H]1NC(=O)[C@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000930839925 648915842 /nfs/dbraw/zinc/91/58/42/648915842.db2.gz PTLHCRMILSLPSG-CIUDSAMLSA-N 0 0 281.316 0.426 20 5 CCBDRN Cc1cccc([C@H]2C(=O)NCCN2CC[N+](=O)[O-])c1 ZINC000930896999 648921511 /nfs/dbraw/zinc/92/15/11/648921511.db2.gz LVMGZBJFRZIDIY-LBPRGKRZSA-N 0 0 263.297 0.745 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1cccn1C ZINC000933867292 649145325 /nfs/dbraw/zinc/14/53/25/649145325.db2.gz MTZXQAVCLYYNDZ-UHFFFAOYSA-N 0 0 277.284 0.755 20 5 CCBDRN O=[N+]([O-])c1cnn(CCN2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933967882 649151576 /nfs/dbraw/zinc/15/15/76/649151576.db2.gz SUKQXMGAZXSHKN-NWDGAFQWSA-N 0 0 282.300 0.281 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCOCC12CCC2 ZINC000935026259 649205617 /nfs/dbraw/zinc/20/56/17/649205617.db2.gz RBPYUXIILDWAGF-UHFFFAOYSA-N 0 0 294.311 0.881 20 5 CCBDRN CCCN(CC(=O)OC)Cn1nccc1[N+](=O)[O-] ZINC000194243544 649573896 /nfs/dbraw/zinc/57/38/96/649573896.db2.gz QCNODCJQDKYKIQ-UHFFFAOYSA-N 0 0 256.262 0.634 20 5 CCBDRN COCCN(CCOC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000083104608 649604072 /nfs/dbraw/zinc/60/40/72/649604072.db2.gz YMMAESSWNFJMOR-UHFFFAOYSA-N 0 0 286.332 0.960 20 5 CCBDRN CN(CC(=O)OCCCC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000089239045 649648851 /nfs/dbraw/zinc/64/88/51/649648851.db2.gz DVFMHTFVOWMVJR-UHFFFAOYSA-N 0 0 295.295 0.840 20 5 CCBDRN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCn2cnnc2C1 ZINC000096474782 649815119 /nfs/dbraw/zinc/81/51/19/649815119.db2.gz SMVFCLXQQBMWDI-UHFFFAOYSA-N 0 0 291.242 0.981 20 5 CCBDRN COC(=O)Cc1c(=O)[nH]cnc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001230501769 805606035 /nfs/dbraw/zinc/60/60/35/805606035.db2.gz JQKJLFRUWKTCNC-VIFPVBQESA-N 0 0 297.267 0.332 20 5 CCBDRN COC(=O)[C@H](C)N(C)c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001167114898 790605457 /nfs/dbraw/zinc/60/54/57/790605457.db2.gz SDNVAPTXXGHLAM-QMMMGPOBSA-N 0 0 269.257 0.534 20 5 CCBDRN O=c1cc(CO)occ1O[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001231281802 805767599 /nfs/dbraw/zinc/76/75/99/805767599.db2.gz 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CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCO1 ZINC000121726289 278320690 /nfs/dbraw/zinc/32/06/90/278320690.db2.gz PUTBKGAWNULEDJ-UHFFFAOYSA-N 0 0 281.268 0.946 20 5 CCBDRN C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1O ZINC000351506193 278442121 /nfs/dbraw/zinc/44/21/21/278442121.db2.gz RUJSPSRGDANADC-WRWORJQWSA-N 0 0 265.269 0.511 20 5 CCBDRN Cc1n[nH]c(C(=O)N[C@H]2CCc3n[nH]cc3C2)c1[N+](=O)[O-] ZINC000358280876 278579282 /nfs/dbraw/zinc/57/92/82/278579282.db2.gz UNXVYTWENZFOFT-QMMMGPOBSA-N 0 0 290.283 0.637 20 5 CCBDRN Cc1nc(N[C@@H]2CC(=O)N(C)C2)ncc1[N+](=O)[O-] ZINC000294802873 279101880 /nfs/dbraw/zinc/10/18/80/279101880.db2.gz CIMMBXSDDPJCFL-SSDOTTSWSA-N 0 0 251.246 0.336 20 5 CCBDRN Cn1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)nn1 ZINC000361163694 279345849 /nfs/dbraw/zinc/34/58/49/279345849.db2.gz ZQXZIBRMTPRUSH-UHFFFAOYSA-N 0 0 264.201 0.076 20 5 CCBDRN NC(=O)CC1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000280249620 279559418 /nfs/dbraw/zinc/55/94/18/279559418.db2.gz NABXHYZZWPHNHJ-UHFFFAOYSA-N 0 0 270.676 0.955 20 5 CCBDRN C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC(=O)N1 ZINC000295629097 279890380 /nfs/dbraw/zinc/89/03/80/279890380.db2.gz BCHJKANUDWWSCE-LURJTMIESA-N 0 0 270.676 0.968 20 5 CCBDRN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000419009341 288179863 /nfs/dbraw/zinc/17/98/63/288179863.db2.gz VTDBYVHPQMGUOQ-WDEREUQCSA-N 0 0 280.328 0.881 20 5 CCBDRN O=C([C@H]1COCCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149191 280145210 /nfs/dbraw/zinc/14/52/10/280145210.db2.gz WMSIOJTXCHOFCA-GFCCVEGCSA-N 0 0 278.264 0.899 20 5 CCBDRN Cc1n[nH]c(C(=O)N2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC000331931654 280189109 /nfs/dbraw/zinc/18/91/09/280189109.db2.gz VRXCPMWCCOSMDC-UHFFFAOYSA-N 0 0 276.256 0.479 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@@]2(CCOC2)C1 ZINC000274510621 280190200 /nfs/dbraw/zinc/19/02/00/280190200.db2.gz WNIFOTAVHUBZOC-LBPRGKRZSA-N 0 0 281.268 0.554 20 5 CCBDRN Cc1c(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cnn1C ZINC000193690528 280249292 /nfs/dbraw/zinc/24/92/92/280249292.db2.gz DOFHZTJTXZWRJU-UHFFFAOYSA-N 0 0 277.240 0.990 20 5 CCBDRN O=C1NCCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357074868 280287275 /nfs/dbraw/zinc/28/72/75/280287275.db2.gz ORACDINNMFNDPA-JTQLQIEISA-N 0 0 284.293 0.647 20 5 CCBDRN O=[N+]([O-])c1ccc2[nH]c(N3CCOC[C@H](O)C3)nc2c1 ZINC000296200956 280370101 /nfs/dbraw/zinc/37/01/01/280370101.db2.gz FIJONTUXIGGTLT-SECBINFHSA-N 0 0 278.268 0.669 20 5 CCBDRN O=[N+]([O-])c1cnc2c(c1)CN(CCN1CCOCC1)CC2 ZINC000332631214 280382570 /nfs/dbraw/zinc/38/25/70/280382570.db2.gz UZKMHZSZRYLHEJ-UHFFFAOYSA-N 0 0 292.339 0.680 20 5 CCBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCS(=O)(=O)C1 ZINC000277804463 288263347 /nfs/dbraw/zinc/26/33/47/288263347.db2.gz XVXWFLUGVFETQY-SECBINFHSA-N 0 0 285.325 0.861 20 5 CCBDRN CC1(O)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000161379762 281596237 /nfs/dbraw/zinc/59/62/37/281596237.db2.gz FXMQBSCRAVAWQU-UHFFFAOYSA-N 0 0 281.268 0.682 20 5 CCBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCNC(=O)[C@@H]1C ZINC000288963812 281597279 /nfs/dbraw/zinc/59/72/79/281597279.db2.gz TYTABXNTWMUQEJ-ZETCQYMHSA-N 0 0 267.289 0.444 20 5 CCBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1=O ZINC000341725401 281880232 /nfs/dbraw/zinc/88/02/32/281880232.db2.gz CASMTIOSXAEDKO-LLVKDONJSA-N 0 0 277.280 0.898 20 5 CCBDRN C[C@@H]1C[C@H](O)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000355960532 288771700 /nfs/dbraw/zinc/77/17/00/288771700.db2.gz GQGTVGANRGUNGU-VXNVDRBHSA-N 0 0 281.268 0.681 20 5 CCBDRN C[C@@H]1[C@H](C)[S@@](=O)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000273590447 289030063 /nfs/dbraw/zinc/03/00/63/289030063.db2.gz HFFHVKSWSJNDEX-MPSDLYAZSA-N 0 0 270.314 0.731 20 5 CCBDRN C[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130433130 290129257 /nfs/dbraw/zinc/12/92/57/290129257.db2.gz DAEYKDNFWHCBTA-VIFPVBQESA-N 0 0 279.296 0.982 20 5 CCBDRN Cc1nc(N2CCS(=O)(=O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268441750 293300122 /nfs/dbraw/zinc/30/01/22/293300122.db2.gz DBXCCMJMHPTAAW-MRVPVSSYSA-N 0 0 285.325 0.922 20 5 CCBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CSC1(C)C ZINC000338492042 294517169 /nfs/dbraw/zinc/51/71/69/294517169.db2.gz QEDNYRXDAKVVAT-ZETCQYMHSA-N 0 0 270.314 0.952 20 5 CCBDRN Cn1nnc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)n1 ZINC000518373864 294634651 /nfs/dbraw/zinc/63/46/51/294634651.db2.gz FMERHXPYGXBHAA-UHFFFAOYSA-N 0 0 290.283 0.207 20 5 CCBDRN NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000353825485 295144400 /nfs/dbraw/zinc/14/44/00/295144400.db2.gz XQAZKZAJOLSVEG-YUMQZZPRSA-N 0 0 295.299 0.482 20 5 CCBDRN NC(=O)[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000153652809 295157655 /nfs/dbraw/zinc/15/76/55/295157655.db2.gz MQRKTKYOBXQQIE-MRVPVSSYSA-N 0 0 286.675 0.334 20 5 CCBDRN NC(=O)[C@]1(O)CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000278840139 295167577 /nfs/dbraw/zinc/16/75/77/295167577.db2.gz VZZDVSAVYNAQCK-NSHDSACASA-N 0 0 269.232 0.160 20 5 CCBDRN NC(=O)c1ccc(N2CCC[C@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000286516299 295181711 /nfs/dbraw/zinc/18/17/11/295181711.db2.gz UATDFBHTFAKIRC-CYBMUJFWSA-N 0 0 297.286 0.995 20 5 CCBDRN NC(=O)c1ccc(N2CCO[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000366115022 295182126 /nfs/dbraw/zinc/18/21/26/295182126.db2.gz ZCGYQHFZJPVWJJ-WDEREUQCSA-N 0 0 263.253 0.671 20 5 CCBDRN NC(=O)c1ccc(N2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000061707474 295182879 /nfs/dbraw/zinc/18/28/79/295182879.db2.gz QWUNRPZFEHITFX-QMMMGPOBSA-N 0 0 251.242 0.265 20 5 CCBDRN NC(=O)c1ccc(N2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000368797684 295183148 /nfs/dbraw/zinc/18/31/48/295183148.db2.gz CBBSUPWAZIVQTJ-LLVKDONJSA-N 0 0 277.280 0.655 20 5 CCBDRN NC(=O)c1ccnc(N2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000357459221 295192110 /nfs/dbraw/zinc/19/21/10/295192110.db2.gz OAQAGFXMWPXDBC-UHFFFAOYSA-N 0 0 272.211 0.934 20 5 CCBDRN Nc1nc(N2CC3(C2)CCOC3)ncc1[N+](=O)[O-] ZINC000294003988 295367950 /nfs/dbraw/zinc/36/79/50/295367950.db2.gz JQZPDGSRUSYUDG-UHFFFAOYSA-N 0 0 251.246 0.194 20 5 CCBDRN C[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000290935764 297084930 /nfs/dbraw/zinc/08/49/30/297084930.db2.gz KNKHGBBYQPFAQL-OCAPTIKFSA-N 0 0 280.284 0.702 20 5 CCBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H](C)CO ZINC000119074520 302041818 /nfs/dbraw/zinc/04/18/18/302041818.db2.gz WULGDABVQFIIMF-VIFPVBQESA-N 0 0 288.325 0.905 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1N1CCOCC2(CCOCC2)C1 ZINC000408184746 303020595 /nfs/dbraw/zinc/02/05/95/303020595.db2.gz ZPZMUFBGUNICSX-UHFFFAOYSA-N 0 0 296.327 0.962 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1N1CCSC[C@@H]1CO ZINC000408038096 303020864 /nfs/dbraw/zinc/02/08/64/303020864.db2.gz HXVNSDJJWMGFRM-ZETCQYMHSA-N 0 0 258.303 0.242 20 5 CCBDRN NC(=O)c1ccnc(N2CCCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000290572832 303349269 /nfs/dbraw/zinc/34/92/69/303349269.db2.gz UMYXUBIKVQQIDN-VIFPVBQESA-N 0 0 294.311 0.830 20 5 CCBDRN [NH3+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000262231008 303409797 /nfs/dbraw/zinc/40/97/97/303409797.db2.gz QIPHRRSPTNNIIV-QMMMGPOBSA-N 0 0 265.269 0.721 20 5 CCBDRN Cc1ccc(C(=O)N[C@H](CO)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000387650944 327802754 /nfs/dbraw/zinc/80/27/54/327802754.db2.gz KKZPNEKHYMTWFC-PSASIEDQSA-N 0 0 268.269 0.375 20 5 CCBDRN CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1O ZINC000575084448 328235575 /nfs/dbraw/zinc/23/55/75/328235575.db2.gz IQKWIIIYVIVPMG-WPRPVWTQSA-N 0 0 252.274 0.900 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1-c1nc(C[S@@](C)=O)no1 ZINC000582957346 329289460 /nfs/dbraw/zinc/28/94/60/329289460.db2.gz RWDFWRYLKXJHCI-GOSISDBHSA-N 0 0 270.270 0.862 20 5 CCBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]2OCC[C@@H]2C1 ZINC000575319177 335093033 /nfs/dbraw/zinc/09/30/33/335093033.db2.gz KJCKGNADXSKAFU-APPZFPTMSA-N 0 0 266.257 0.569 20 5 CCBDRN O=C(C1CC1)[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCO1 ZINC000583512589 328591556 /nfs/dbraw/zinc/59/15/56/328591556.db2.gz RUAAIVPJBMOGEL-VIFPVBQESA-N 0 0 294.267 0.138 20 5 CCBDRN O=[N+]([O-])c1cccc(CN2CCn3nnc(CO)c3C2)c1 ZINC000584151194 327050417 /nfs/dbraw/zinc/05/04/17/327050417.db2.gz IZEGACKGRCMERX-UHFFFAOYSA-N 0 0 289.295 0.694 20 5 CCBDRN CC(C)(CO)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000582250310 328849432 /nfs/dbraw/zinc/84/94/32/328849432.db2.gz ODWDWJIDMKWCGA-UHFFFAOYSA-N 0 0 279.296 0.893 20 5 CCBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CC(=O)N(C)C1 ZINC000582509113 329098983 /nfs/dbraw/zinc/09/89/83/329098983.db2.gz WLOZPGHDBIQOOD-UHFFFAOYSA-N 0 0 253.262 0.356 20 5 CCBDRN COC[C@](C)(O)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000394588874 329127568 /nfs/dbraw/zinc/12/75/68/329127568.db2.gz HLLBCZZGCWFOPJ-LLVKDONJSA-N 0 0 255.274 0.529 20 5 CCBDRN CNc1nccc(C(=O)NCC2CCC2)c1[N+](=O)[O-] ZINC000553354378 334379774 /nfs/dbraw/zinc/37/97/74/334379774.db2.gz MDFYNUALKKMWHE-UHFFFAOYSA-N 0 0 264.285 0.983 20 5 CCBDRN Cc1ocnc1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000553545973 334391092 /nfs/dbraw/zinc/39/10/92/334391092.db2.gz KLHKYMPQKFTGGE-UHFFFAOYSA-N 0 0 277.240 0.629 20 5 CCBDRN CC(C)N1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1=O ZINC000554596404 334441916 /nfs/dbraw/zinc/44/19/16/334441916.db2.gz FWLKYKOTOXGJIK-UHFFFAOYSA-N 0 0 294.311 0.626 20 5 CCBDRN CCc1nn(C)c(NCCc2c(C)[nH][nH]c2=O)c1[N+](=O)[O-] ZINC000554676718 334445887 /nfs/dbraw/zinc/44/58/87/334445887.db2.gz MKCPAECTLOWTQD-MRVPVSSYSA-N 0 0 294.315 0.815 20 5 CCBDRN CCC[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)OC ZINC000554876926 334458217 /nfs/dbraw/zinc/45/82/17/334458217.db2.gz QLQKOVUDIREYBN-SSDOTTSWSA-N 0 0 270.245 0.389 20 5 CCBDRN CCOC(=O)C[C@H](C)N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554896646 334459797 /nfs/dbraw/zinc/45/97/97/334459797.db2.gz UFJNSSFOYGHKHA-ZETCQYMHSA-N 0 0 284.272 0.732 20 5 CCBDRN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(C(F)(F)F)C2)c1 ZINC000565507105 334569551 /nfs/dbraw/zinc/56/95/51/334569551.db2.gz GZPMFROFAGNINO-SECBINFHSA-N 0 0 294.233 0.646 20 5 CCBDRN C[C@H](CO)N(CC1CCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000565587506 334576597 /nfs/dbraw/zinc/57/65/97/334576597.db2.gz BPYPVWLUYGJTMN-MRVPVSSYSA-N 0 0 282.300 0.941 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCO ZINC000165925543 334903839 /nfs/dbraw/zinc/90/38/39/334903839.db2.gz KDLXXYZVLMPYLZ-UHFFFAOYSA-N 0 0 255.274 0.824 20 5 CCBDRN CC[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])[C@@H](C)O ZINC000578142765 335525196 /nfs/dbraw/zinc/52/51/96/335525196.db2.gz UMASVYZHXPFKTH-SVRRBLITSA-N 0 0 268.273 0.292 20 5 CCBDRN CCNC(=O)C(C)(C)CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000578911673 335689132 /nfs/dbraw/zinc/68/91/32/335689132.db2.gz IPKNDDBOGGTUQY-UHFFFAOYSA-N 0 0 283.288 0.210 20 5 CCBDRN CCO[C@H]1C[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000581230209 336028369 /nfs/dbraw/zinc/02/83/69/336028369.db2.gz LOIVALPKBPFDLH-SVRRBLITSA-N 0 0 254.246 0.236 20 5 CCBDRN COC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000382553058 336093507 /nfs/dbraw/zinc/09/35/07/336093507.db2.gz IKUJTUXABPNLSZ-SNVBAGLBSA-N 0 0 257.246 0.050 20 5 CCBDRN C[C@H]1[C@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000385963162 336163526 /nfs/dbraw/zinc/16/35/26/336163526.db2.gz ZDIVCHCBHCSNPB-YUMQZZPRSA-N 0 0 253.258 0.766 20 5 CCBDRN CC[C@H]1[C@H](CO)CCN1c1c([N+](=O)[O-])ncn1C ZINC000386198926 336168071 /nfs/dbraw/zinc/16/80/71/336168071.db2.gz BVCBWMJRABMMEC-IUCAKERBSA-N 0 0 254.290 0.926 20 5 CCBDRN C[C@@H](O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CCO1 ZINC000413619751 533823486 /nfs/dbraw/zinc/82/34/86/533823486.db2.gz WONSZRCKADLZFJ-XCBNKYQSSA-N 0 0 285.275 0.902 20 5 CCBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)NC(=O)NC1CC1 ZINC000412997830 533960080 /nfs/dbraw/zinc/96/00/80/533960080.db2.gz BGPZOSQPHMMUJA-UHFFFAOYSA-N 0 0 294.267 0.053 20 5 CCBDRN COC(=O)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000493075291 534001745 /nfs/dbraw/zinc/00/17/45/534001745.db2.gz VFCIOTIXNXFAAJ-UHFFFAOYSA-N 0 0 283.288 0.175 20 5 CCBDRN C[C@H](O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CCO1 ZINC000413619752 534108043 /nfs/dbraw/zinc/10/80/43/534108043.db2.gz WONSZRCKADLZFJ-XVKPBYJWSA-N 0 0 285.275 0.902 20 5 CCBDRN C[C@@H](Cc1cnn(C)c1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000450838047 534266439 /nfs/dbraw/zinc/26/64/39/534266439.db2.gz WYBNDRZJYLZEMU-ZETCQYMHSA-N 0 0 277.288 0.574 20 5 CCBDRN C/C=C\C[C@@H](CO)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000354207836 518558296 /nfs/dbraw/zinc/55/82/96/518558296.db2.gz GBFUNTSVMMREFV-VEMNSZJBSA-N 0 0 268.273 0.385 20 5 CCBDRN Cc1nc(N(C)[C@@H](CO)COC(C)C)ncc1[N+](=O)[O-] ZINC000450485333 534439725 /nfs/dbraw/zinc/43/97/25/534439725.db2.gz JCIDIUFZULCCJH-JTQLQIEISA-N 0 0 284.316 0.915 20 5 CCBDRN Cc1nc(N[C@H]2CC(=O)N(C(C)C)C2=O)ncc1[N+](=O)[O-] ZINC000450367352 534497541 /nfs/dbraw/zinc/49/75/41/534497541.db2.gz WWEVZTGSIKXVTA-QMMMGPOBSA-N 0 0 293.283 0.641 20 5 CCBDRN CCC(=O)N1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157747578 521106146 /nfs/dbraw/zinc/10/61/46/521106146.db2.gz LTSIQTLHQAXCSQ-UHFFFAOYSA-N 0 0 295.343 0.736 20 5 CCBDRN CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)[O-] ZINC000184927584 521674755 /nfs/dbraw/zinc/67/47/55/521674755.db2.gz QZSWCZYTPFNAIA-UHFFFAOYSA-N 0 0 256.262 0.588 20 5 CCBDRN CCNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050702291 521738054 /nfs/dbraw/zinc/73/80/54/521738054.db2.gz FLMXVEBXCYKOBT-UHFFFAOYSA-N 0 0 266.257 0.043 20 5 CCBDRN CNC(=O)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000183563532 521763864 /nfs/dbraw/zinc/76/38/64/521763864.db2.gz CGQCYNJYDMADDV-LLVKDONJSA-N 0 0 293.279 0.182 20 5 CCBDRN O=C(NC[C@H](CO)C1CC1)c1ccc([N+](=O)[O-])o1 ZINC000358344410 534617422 /nfs/dbraw/zinc/61/74/22/534617422.db2.gz VLWFBKYTYLXUME-MRVPVSSYSA-N 0 0 254.242 0.936 20 5 CCBDRN COCc1cc(-n2ccc([N+](=O)[O-])n2)n2ncnc2n1 ZINC000353127533 522904974 /nfs/dbraw/zinc/90/49/74/522904974.db2.gz NLZHQLKCZPSNPQ-UHFFFAOYSA-N 0 0 275.228 0.365 20 5 CCBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](O)[C@H]1CCOC1 ZINC000355547759 534704801 /nfs/dbraw/zinc/70/48/01/534704801.db2.gz ABBHPYNIPHAXLQ-AAEUAGOBSA-N 0 0 294.307 0.651 20 5 CCBDRN CCc1ccc(C(=O)N2C[C@@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000185937714 523888169 /nfs/dbraw/zinc/88/81/69/523888169.db2.gz XYGNNSPEVICDDB-RYUDHWBXSA-N 0 0 294.307 0.725 20 5 CCBDRN CO[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1C ZINC000187729105 524005719 /nfs/dbraw/zinc/00/57/19/524005719.db2.gz FFDCDPUWJWMRCP-ONGXEEELSA-N 0 0 282.300 0.675 20 5 CCBDRN CNC(=O)C1(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000068549229 524045889 /nfs/dbraw/zinc/04/58/89/524045889.db2.gz SIYSLCBQDMNGEA-UHFFFAOYSA-N 0 0 277.280 0.737 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1cc(F)ccc1F ZINC000104561638 534757828 /nfs/dbraw/zinc/75/78/28/534757828.db2.gz GZACUQORVBSPPR-UHFFFAOYSA-N 0 0 297.221 0.781 20 5 CCBDRN Cc1cccc(C(=O)N(C)[C@@H]2CCNC2=O)c1[N+](=O)[O-] ZINC000340451318 524162992 /nfs/dbraw/zinc/16/29/92/524162992.db2.gz KOVJQXFCUYALEO-SNVBAGLBSA-N 0 0 277.280 0.864 20 5 CCBDRN C[C@H](CCNc1ncc([N+](=O)[O-])c(N)n1)[S@](C)=O ZINC000154781911 524199359 /nfs/dbraw/zinc/19/93/59/524199359.db2.gz ZJXRBCNSUDZEJP-FWCARGHBSA-N 0 0 273.318 0.536 20 5 CCBDRN O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@H](F)C1 ZINC000455047743 534772321 /nfs/dbraw/zinc/77/23/21/534772321.db2.gz UWSNAINJMXIBTR-SSDOTTSWSA-N 0 0 254.221 0.987 20 5 CCBDRN C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 ZINC000183335567 524813870 /nfs/dbraw/zinc/81/38/70/524813870.db2.gz OIHOANSZKQXCSR-VHSXEESVSA-N 0 0 297.315 0.610 20 5 CCBDRN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000055071025 524934188 /nfs/dbraw/zinc/93/41/88/524934188.db2.gz RXGGRTRRNVMYIA-QMMMGPOBSA-N 0 0 281.268 0.354 20 5 CCBDRN Nc1nc(N[C@H]2CC23CCOCC3)ncc1[N+](=O)[O-] ZINC000450788343 534838342 /nfs/dbraw/zinc/83/83/42/534838342.db2.gz DIHMZUQZSHJGGK-QMMMGPOBSA-N 0 0 265.273 0.778 20 5 CCBDRN Cc1cc(OCC(=O)N2CCNC2=O)c(F)cc1[N+](=O)[O-] ZINC000186729465 525359359 /nfs/dbraw/zinc/35/93/59/525359359.db2.gz WASDGJISZVIVGB-UHFFFAOYSA-N 0 0 297.242 0.973 20 5 CCBDRN C[C@@H]1N(C(=O)Cn2cc([N+](=O)[O-])cn2)CCOC1(C)C ZINC000357947887 525542206 /nfs/dbraw/zinc/54/22/06/525542206.db2.gz ZNERICLISNXXAQ-VIFPVBQESA-N 0 0 282.300 0.817 20 5 CCBDRN Cc1cc([N+](=O)[O-])cnc1NCCS(C)(=O)=O ZINC000052812415 525576536 /nfs/dbraw/zinc/57/65/36/525576536.db2.gz HGTHGHKVHHFIRY-UHFFFAOYSA-N 0 0 259.287 0.755 20 5 CCBDRN Cc1cc(=O)n(Cc2nc(N(C)C)no2)cc1[N+](=O)[O-] ZINC000184552549 526143371 /nfs/dbraw/zinc/14/33/71/526143371.db2.gz VBXCYWVHVJSRJX-UHFFFAOYSA-N 0 0 279.256 0.562 20 5 CCBDRN Cc1ccc(C(=O)N[C@@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000182936077 526206005 /nfs/dbraw/zinc/20/60/05/526206005.db2.gz RAKIRUQRLCJRHY-CYBMUJFWSA-N 0 0 280.280 0.784 20 5 CCBDRN Cc1cc(C(=O)N(C)[C@@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000340452794 526226650 /nfs/dbraw/zinc/22/66/50/526226650.db2.gz TXZUMHHGUSJQTK-LLVKDONJSA-N 0 0 277.280 0.864 20 5 CCBDRN COC(=O)C(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000362960896 536428990 /nfs/dbraw/zinc/42/89/90/536428990.db2.gz SEUNSFSESUUCDI-UHFFFAOYSA-N 0 0 281.268 0.858 20 5 CCBDRN NC(=O)NCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000340671707 526932001 /nfs/dbraw/zinc/93/20/01/526932001.db2.gz QRBIIJVSUQUTSY-UHFFFAOYSA-N 0 0 278.228 0.078 20 5 CCBDRN O=C(N[C@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])cc1 ZINC000070161556 527018364 /nfs/dbraw/zinc/01/83/64/527018364.db2.gz GNIUBEJDDBYHMU-VIFPVBQESA-N 0 0 263.253 0.603 20 5 CCBDRN Cn1c(C(=O)NC[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000225076632 527042522 /nfs/dbraw/zinc/04/25/22/527042522.db2.gz KSZHUEOLBWNBOA-LURJTMIESA-N 0 0 281.190 0.586 20 5 CCBDRN O=C1NCCC[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000049491270 527066030 /nfs/dbraw/zinc/06/60/30/527066030.db2.gz KNJFRFDSNPMVCJ-ZCFIWIBFSA-N 0 0 281.297 0.995 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[C@H]1C ZINC000049427838 527087780 /nfs/dbraw/zinc/08/77/80/527087780.db2.gz WTWYEVZHAFWHTQ-VXNVDRBHSA-N 0 0 252.274 0.872 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCC[C@@H]1F ZINC000340789922 527371726 /nfs/dbraw/zinc/37/17/26/527371726.db2.gz DZZYHOQCAFBCSS-UWVGGRQHSA-N 0 0 283.259 0.763 20 5 CCBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](O)C1 ZINC000061713949 527503343 /nfs/dbraw/zinc/50/33/43/527503343.db2.gz JPYVJESVOOFIQI-MRVPVSSYSA-N 0 0 251.242 0.384 20 5 CCBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCSC1 ZINC000341007288 527558509 /nfs/dbraw/zinc/55/85/09/527558509.db2.gz ASJXJDWUSPDBKM-SSDOTTSWSA-N 0 0 270.314 0.954 20 5 CCBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCNC(=O)CC1 ZINC000054547228 527618541 /nfs/dbraw/zinc/61/85/41/527618541.db2.gz BTJDSHONDYEHRY-ZZXKWVIFSA-N 0 0 289.291 0.957 20 5 CCBDRN O=C(NCCCCCCO)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000182625346 527641682 /nfs/dbraw/zinc/64/16/82/527641682.db2.gz ZJHHLKUKBHUIMG-UHFFFAOYSA-N 0 0 283.284 0.978 20 5 CCBDRN CCOC(=O)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000427201865 527721067 /nfs/dbraw/zinc/72/10/67/527721067.db2.gz CVFTUMYLFHPIJR-QMMMGPOBSA-N 0 0 283.284 0.862 20 5 CCBDRN CCC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000425021102 528320062 /nfs/dbraw/zinc/32/00/62/528320062.db2.gz RTYZCNGDORHIPE-UHFFFAOYSA-N 0 0 295.299 0.138 20 5 CCBDRN CCC(=O)N1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C1 ZINC000425015821 528326292 /nfs/dbraw/zinc/32/62/92/528326292.db2.gz DHMYDBJVDLZMFI-UHFFFAOYSA-N 0 0 295.299 0.532 20 5 CCBDRN CCC(=O)N1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000425504959 528328902 /nfs/dbraw/zinc/32/89/02/528328902.db2.gz AVKRHFGQNXYWDR-UHFFFAOYSA-N 0 0 267.289 0.303 20 5 CCBDRN CCOC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000355722855 528913062 /nfs/dbraw/zinc/91/30/62/528913062.db2.gz RVVNMTMZDMTVMJ-JTQLQIEISA-N 0 0 297.311 0.764 20 5 CCBDRN CCC[C@@H](O)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000412521718 529073094 /nfs/dbraw/zinc/07/30/94/529073094.db2.gz OENZAWBRPBNOHR-WCBMZHEXSA-N 0 0 285.300 0.185 20 5 CCBDRN CCC[C@@H](O)[C@H](CO)Nc1ccc([N+](=O)[O-])nc1 ZINC000413499961 529076974 /nfs/dbraw/zinc/07/69/74/529076974.db2.gz XEYIBMGYHWFNAO-VHSXEESVSA-N 0 0 255.274 0.924 20 5 CCBDRN CC1(C)COC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000456538125 529133112 /nfs/dbraw/zinc/13/31/12/529133112.db2.gz KITFYCTWTXTMSM-JTQLQIEISA-N 0 0 295.295 0.298 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnns2)n1 ZINC000427893104 529155347 /nfs/dbraw/zinc/15/53/47/529155347.db2.gz ISJHMLSYMJZJJS-UHFFFAOYSA-N 0 0 268.258 0.915 20 5 CCBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC(O)C1 ZINC000331934232 529208450 /nfs/dbraw/zinc/20/84/50/529208450.db2.gz GOLCLOLVRQTPLK-SECBINFHSA-N 0 0 297.315 0.030 20 5 CCBDRN CC[C@H]1[C@H](CO)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000450661699 529345130 /nfs/dbraw/zinc/34/51/30/529345130.db2.gz VNCJXFXITUUKMI-YUMQZZPRSA-N 0 0 267.289 0.395 20 5 CCBDRN CC(C)(C(=O)N1CC(CCO)C1)n1cc([N+](=O)[O-])cn1 ZINC000343031919 535009667 /nfs/dbraw/zinc/00/96/67/535009667.db2.gz NDHQYZVTVMLCJO-UHFFFAOYSA-N 0 0 282.300 0.367 20 5 CCBDRN CC(C)[C@H](CO)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357535927 535037341 /nfs/dbraw/zinc/03/73/41/535037341.db2.gz OFPIVUMFYJLLHG-QMMMGPOBSA-N 0 0 268.273 0.518 20 5 CCBDRN 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/nfs/dbraw/zinc/59/61/76/616596176.db2.gz DWRQKRYBVXXCKN-PRJMDXOYSA-N 0 0 277.298 0.490 20 5 CCBDRN COC(=O)COC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838280579 616609360 /nfs/dbraw/zinc/60/93/60/616609360.db2.gz GNDJMPFDQUYHBI-JTQLQIEISA-N 0 0 269.209 0.344 20 5 CCBDRN COCCSc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821694235 616614702 /nfs/dbraw/zinc/61/47/02/616614702.db2.gz DHMZMFBPLKGVTO-UHFFFAOYSA-N 0 0 282.285 0.908 20 5 CCBDRN COCC[C@@H](C)CNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000822615736 616615383 /nfs/dbraw/zinc/61/53/83/616615383.db2.gz RPGSOJQMNCYPLV-SECBINFHSA-N 0 0 284.316 0.889 20 5 CCBDRN COC(=O)COCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000858760957 616617247 /nfs/dbraw/zinc/61/72/47/616617247.db2.gz JQZGLWZZQOLRGF-UHFFFAOYSA-N 0 0 269.257 0.900 20 5 CCBDRN COC(=O)[C@H](NCC[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000930440356 616635930 /nfs/dbraw/zinc/63/59/30/616635930.db2.gz MIEIOTILXWLUQK-GFCCVEGCSA-N 0 0 280.280 0.702 20 5 CCBDRN CNC(=O)COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011312201 616656411 /nfs/dbraw/zinc/65/64/11/616656411.db2.gz CUQHVRUSZULBTK-UHFFFAOYSA-N 0 0 281.268 0.686 20 5 CCBDRN COC(=O)[C@H]1CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000888043563 616670558 /nfs/dbraw/zinc/67/05/58/616670558.db2.gz KOUCAHRNDGNABE-SECBINFHSA-N 0 0 294.263 0.991 20 5 CCBDRN COCC[C@H]1COCCN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000812296544 616691527 /nfs/dbraw/zinc/69/15/27/616691527.db2.gz BIXJGWAURZXQQU-NSHDSACASA-N 0 0 284.316 0.795 20 5 CCBDRN CO[C@@H]1CN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC[C@@H]1C ZINC000935558614 616738570 /nfs/dbraw/zinc/73/85/70/616738570.db2.gz RVEUTJVUPKEIQO-GXSJLCMTSA-N 0 0 296.327 0.983 20 5 CCBDRN COC(=O)N(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000855887963 616763870 /nfs/dbraw/zinc/76/38/70/616763870.db2.gz JAOAJHCROLPNPY-UHFFFAOYSA-N 0 0 284.272 0.693 20 5 CCBDRN COCC1(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000934889477 616785335 /nfs/dbraw/zinc/78/53/35/616785335.db2.gz WVPRGBIOIGDXJX-UHFFFAOYSA-N 0 0 268.273 0.395 20 5 CCBDRN COC(=O)[C@]1(O)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000880559272 616786489 /nfs/dbraw/zinc/78/64/89/616786489.db2.gz LESIEUJBVCWTTL-ZDUSSCGKSA-N 0 0 280.280 0.705 20 5 CCBDRN COC[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000886869344 616802149 /nfs/dbraw/zinc/80/21/49/616802149.db2.gz XCLAVGYHDKXPNN-JTQLQIEISA-N 0 0 281.268 0.477 20 5 CCBDRN CO[C@@H]1COC[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868856172 616815704 /nfs/dbraw/zinc/81/57/04/616815704.db2.gz DFMTYFMQRPSQMS-WDEREUQCSA-N 0 0 298.270 0.806 20 5 CCBDRN COC(=O)N1CCC(C(=O)O[C@@H](C)C[N+](=O)[O-])CC1 ZINC000851046162 616818710 /nfs/dbraw/zinc/81/87/10/616818710.db2.gz OOHGDLLHWHNQHF-QMMMGPOBSA-N 0 0 274.273 0.673 20 5 CCBDRN COCC1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000918927128 616825250 /nfs/dbraw/zinc/82/52/50/616825250.db2.gz YBODGWYTWVOOER-UHFFFAOYSA-N 0 0 292.338 0.923 20 5 CCBDRN CNC(=O)[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CCO1 ZINC000882171394 616831291 /nfs/dbraw/zinc/83/12/91/616831291.db2.gz CPRRHJLZVURBBJ-QMMMGPOBSA-N 0 0 284.247 0.080 20 5 CCBDRN COC[C@@H](COC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000849799962 616870145 /nfs/dbraw/zinc/87/01/45/616870145.db2.gz UXMJQOUXWXAHCM-NWDGAFQWSA-N 0 0 299.279 0.833 20 5 CCBDRN COCCCOC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848786564 616907520 /nfs/dbraw/zinc/90/75/20/616907520.db2.gz ICEZABKQGMYYEF-UHFFFAOYSA-N 0 0 255.230 0.765 20 5 CCBDRN CNC(=O)c1cccc(C(=O)OC[C@H](C)[N+](=O)[O-])c1 ZINC000813104021 616916111 /nfs/dbraw/zinc/91/61/11/616916111.db2.gz IXXNLTOUHKDDLK-QMMMGPOBSA-N 0 0 266.253 0.868 20 5 CCBDRN COC(=O)c1ccc(OC[C@H]2CNC(=O)O2)cc1[N+](=O)[O-] ZINC000800836945 616920422 /nfs/dbraw/zinc/92/04/22/616920422.db2.gz FPBDILSSHFNYAC-MRVPVSSYSA-N 0 0 296.235 0.869 20 5 CCBDRN CO[C@@]1(COC(=O)Cn2ccc([N+](=O)[O-])n2)CCOC1 ZINC000845785927 616948329 /nfs/dbraw/zinc/94/83/29/616948329.db2.gz OQSUHZOOEQDDFV-NSHDSACASA-N 0 0 285.256 0.140 20 5 CCBDRN CO[C@@]1(COC(=O)c2cc([N+](=O)[O-])cn2C)CCOC1 ZINC000845779160 616949202 /nfs/dbraw/zinc/94/92/02/616949202.db2.gz ZIVNCJDAPGTBEA-LBPRGKRZSA-N 0 0 284.268 0.896 20 5 CCBDRN COC(=O)c1cnc([C@H]2CCN(CC[N+](=O)[O-])C2)s1 ZINC000932670933 616984377 /nfs/dbraw/zinc/98/43/77/616984377.db2.gz LCKPWQUTCXSCBC-QMMMGPOBSA-N 0 0 285.325 0.996 20 5 CCBDRN COC(=O)[C@@H](F)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000838064884 616999318 /nfs/dbraw/zinc/99/93/18/616999318.db2.gz VBEMDLGWLLGRJU-QMMMGPOBSA-N 0 0 270.216 0.836 20 5 CCBDRN COCCN(CCO)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994380 617016966 /nfs/dbraw/zinc/01/69/66/617016966.db2.gz REGYSYAGGMKAHM-UHFFFAOYSA-N 0 0 298.299 0.650 20 5 CCBDRN CON(C)C(=O)CCn1cc([N+](=O)[O-])cc(C)c1=O ZINC000840764987 617019542 /nfs/dbraw/zinc/01/95/42/617019542.db2.gz UDCUXBKXSVOTLE-UHFFFAOYSA-N 0 0 269.257 0.475 20 5 CCBDRN COC[C@@](C)(O)CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994245 617029699 /nfs/dbraw/zinc/02/96/99/617029699.db2.gz OPZFXPQDYBAXAE-LBPRGKRZSA-N 0 0 298.299 0.696 20 5 CCBDRN CON(C)C(=O)CNc1cc(N)ccc1[N+](=O)[O-] ZINC000817127710 617040317 /nfs/dbraw/zinc/04/03/17/617040317.db2.gz WJYWCBIJEHLGHZ-UHFFFAOYSA-N 0 0 254.246 0.609 20 5 CCBDRN CNc1c(C(=O)N2CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000889148115 617054305 /nfs/dbraw/zinc/05/43/05/617054305.db2.gz QLNKNPQYPONBNG-MRVPVSSYSA-N 0 0 265.269 0.843 20 5 CCBDRN CNc1c(C(=O)NCCn2cnnn2)cccc1[N+](=O)[O-] ZINC000845798320 617054326 /nfs/dbraw/zinc/05/43/26/617054326.db2.gz MWWVNQUXYGQAEG-UHFFFAOYSA-N 0 0 291.271 0.053 20 5 CCBDRN CON(C)C(=O)[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000858834445 617071108 /nfs/dbraw/zinc/07/11/08/617071108.db2.gz ZRDLOEMRHUPLET-ZETCQYMHSA-N 0 0 254.246 0.810 20 5 CCBDRN CON(C)C(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000858833514 617071305 /nfs/dbraw/zinc/07/13/05/617071305.db2.gz MJAWJOUYWFJWKI-LURJTMIESA-N 0 0 295.255 0.951 20 5 CCBDRN CON(C)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000822274016 617077051 /nfs/dbraw/zinc/07/70/51/617077051.db2.gz VFSMVJPPVVKPOY-UHFFFAOYSA-N 0 0 269.261 0.026 20 5 CCBDRN CON(C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000917064542 617082433 /nfs/dbraw/zinc/08/24/33/617082433.db2.gz DEGBNPNMAMTCLU-UHFFFAOYSA-N 0 0 265.225 0.642 20 5 CCBDRN CON1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000854856547 617090551 /nfs/dbraw/zinc/09/05/51/617090551.db2.gz KJZBIMSBFGMJRD-UHFFFAOYSA-N 0 0 298.274 0.635 20 5 CCBDRN CON1CC[C@@H](n2nc(C)c([N+](=O)[O-])c2C)C1=O ZINC000902132032 617096749 /nfs/dbraw/zinc/09/67/49/617096749.db2.gz WYGGCFBDPCNPSG-MRVPVSSYSA-N 0 0 254.246 0.743 20 5 CCBDRN CO[N-]C(=O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896925999 617117189 /nfs/dbraw/zinc/11/71/89/617117189.db2.gz DBMGXZIOTHXSLC-UHFFFAOYSA-N 0 0 253.258 0.405 20 5 CCBDRN CO[C@@H](Cn1cc([N+](=O)[O-])cc(F)c1=O)[C@H]1CCOC1 ZINC000849925881 617170855 /nfs/dbraw/zinc/17/08/55/617170855.db2.gz STUNPDLHDLKWEZ-KWQFWETISA-N 0 0 286.259 0.947 20 5 CCBDRN O=C(OCCn1cnc([N+](=O)[O-])n1)[C@H]1CCCOC1 ZINC000176677710 622726925 /nfs/dbraw/zinc/72/69/25/622726925.db2.gz XYAKMQADKINVMI-QMMMGPOBSA-N 0 0 270.245 0.156 20 5 CCBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]1CO ZINC000889141501 622850277 /nfs/dbraw/zinc/85/02/77/622850277.db2.gz ZVAQXVDEKVLZME-LLVKDONJSA-N 0 0 250.254 0.731 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](N2CCCC2=O)C1 ZINC000892465063 623310481 /nfs/dbraw/zinc/31/04/81/623310481.db2.gz BOPAZOYFGZIMJW-JTQLQIEISA-N 0 0 293.327 0.920 20 5 CCBDRN CCOC(=O)/C=C\Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000310558096 623343610 /nfs/dbraw/zinc/34/36/10/623343610.db2.gz FCHURRWSCUNGNN-ARJAWSKDSA-N 0 0 252.226 0.876 20 5 CCBDRN Cn1cnc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)n1 ZINC000219769056 623352153 /nfs/dbraw/zinc/35/21/53/623352153.db2.gz FORVCUBVKZJWHT-UHFFFAOYSA-N 0 0 279.231 0.792 20 5 CCBDRN COC(=O)[C@@]1(C)CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177225315 623369694 /nfs/dbraw/zinc/36/96/94/623369694.db2.gz IVCIZLVKBQWUCK-NSHDSACASA-N 0 0 268.273 0.634 20 5 CCBDRN COC1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000310628327 623385621 /nfs/dbraw/zinc/38/56/21/623385621.db2.gz DQGNSWUNCMTFKM-UHFFFAOYSA-N 0 0 251.242 0.648 20 5 CCBDRN CCC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001010441166 624467872 /nfs/dbraw/zinc/46/78/72/624467872.db2.gz KIDGPQQFBBPLDO-GHMZBOCLSA-N 0 0 295.339 0.513 20 5 CCBDRN NS(=O)(=O)c1ccc(N2CC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000804689360 624612850 /nfs/dbraw/zinc/61/28/50/624612850.db2.gz NRKKZQQJHPWVDU-OIBJUYFYSA-N 0 0 283.309 0.841 20 5 CCBDRN Nc1ccc(C(=O)NC2(CO)CC2)cc1[N+](=O)[O-] ZINC000160289233 624643994 /nfs/dbraw/zinc/64/39/94/624643994.db2.gz QFQOOISFHKWLMW-UHFFFAOYSA-N 0 0 251.242 0.432 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1COC[C@@H]1C1CC1 ZINC000891068637 624707257 /nfs/dbraw/zinc/70/72/57/624707257.db2.gz UAHLMESHESDRQE-ZJUUUORDSA-N 0 0 280.284 0.333 20 5 CCBDRN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000891089474 624719277 /nfs/dbraw/zinc/71/92/77/624719277.db2.gz LMWQFZPRMJONTL-KXNHARMFSA-N 0 0 262.265 0.426 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1NC(=O)COCC(F)F ZINC000891344040 624819412 /nfs/dbraw/zinc/81/94/12/624819412.db2.gz CJKPXHWJENOBHX-UHFFFAOYSA-N 0 0 264.188 0.549 20 5 CCBDRN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]2CO)c1 ZINC000902630186 634421111 /nfs/dbraw/zinc/42/11/11/634421111.db2.gz NRWWURBJDXYEBV-LLVKDONJSA-N 0 0 262.269 0.969 20 5 CCBDRN O=[N+]([O-])c1cn(CN2CC[C@@H]2CO)nc1-c1ccccn1 ZINC000902632254 634422624 /nfs/dbraw/zinc/42/26/24/634422624.db2.gz MNIYLWLPVPBWTI-SNVBAGLBSA-N 0 0 289.295 0.877 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCCC(N)=O ZINC000176170845 625009021 /nfs/dbraw/zinc/00/90/21/625009021.db2.gz QSSHNOLOVNMQBM-UHFFFAOYSA-N 0 0 284.272 0.299 20 5 CCBDRN C[C@H]1COC[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000902965491 634501949 /nfs/dbraw/zinc/50/19/49/634501949.db2.gz SZQRGSWSTSQIIE-IONNQARKSA-N 0 0 253.258 0.698 20 5 CCBDRN Cn1c2ccc(NCC[N+](=O)[O-])cc2n(C)c1=O ZINC000905311744 634841692 /nfs/dbraw/zinc/84/16/92/634841692.db2.gz AYPJPJXTLRLGNM-UHFFFAOYSA-N 0 0 250.258 0.566 20 5 CCBDRN C[C@@H]1OCC[C@]12CN(c1c([N+](=O)[O-])cnn1C)CCO2 ZINC000893591611 631001502 /nfs/dbraw/zinc/00/15/02/631001502.db2.gz HNVBPAWZSWJSJA-CABZTGNLSA-N 0 0 282.300 0.713 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1N1CC([C@H]2CCOC2)C1 ZINC000893601335 631014997 /nfs/dbraw/zinc/01/49/97/631014997.db2.gz HRJHBPJQZGDVQE-QMMMGPOBSA-N 0 0 252.274 0.801 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]1C1CCCC1 ZINC000889398516 631072903 /nfs/dbraw/zinc/07/29/03/631072903.db2.gz KLTYODHMBPAXAL-JTQLQIEISA-N 0 0 279.300 0.977 20 5 CCBDRN Cn1ccc([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC000928200111 631699355 /nfs/dbraw/zinc/69/93/55/631699355.db2.gz FSDXRINYVFQEHI-HOSYDEDBSA-N 0 0 278.312 0.791 20 5 CCBDRN NC(=O)[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000840672650 631702506 /nfs/dbraw/zinc/70/25/06/631702506.db2.gz NQBSMXODWDRICV-BBBLOLIVSA-N 0 0 264.237 0.421 20 5 CCBDRN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000840672867 631709616 /nfs/dbraw/zinc/70/96/16/631709616.db2.gz XGHBNUMCSASDMR-UKKRHICBSA-N 0 0 284.312 0.699 20 5 CCBDRN O=C(OC[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673597 631715855 /nfs/dbraw/zinc/71/58/55/631715855.db2.gz UQUQDEODRGJDQV-DJLDLDEBSA-N 0 0 269.253 0.681 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1N1CCN(CCCF)CC1 ZINC000894360207 631728616 /nfs/dbraw/zinc/72/86/16/631728616.db2.gz RPSUWMBAIQHKCW-UHFFFAOYSA-N 0 0 271.296 0.810 20 5 CCBDRN C[C@@H]1[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000928448612 631855496 /nfs/dbraw/zinc/85/54/96/631855496.db2.gz OPWQMYIWYRRVNJ-MWLCHTKSSA-N 0 0 295.343 0.735 20 5 CCBDRN O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@@]1(O)CCOC1 ZINC000840690461 631958500 /nfs/dbraw/zinc/95/85/00/631958500.db2.gz FIIDMRMYDGGTSC-GFCCVEGCSA-N 0 0 285.227 0.929 20 5 CCBDRN Cn1cc(OC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000179019008 631965882 /nfs/dbraw/zinc/96/58/82/631965882.db2.gz SYBXGSHJPOQBIC-UHFFFAOYSA-N 0 0 278.224 0.096 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)OCCOCC(F)F ZINC000910204431 635701871 /nfs/dbraw/zinc/70/18/71/635701871.db2.gz AVBPBULTYCFCID-UHFFFAOYSA-N 0 0 293.226 0.925 20 5 CCBDRN CS(=O)(=O)c1ccc(C(=O)OCCO)cc1[N+](=O)[O-] ZINC000025401579 632151549 /nfs/dbraw/zinc/15/15/49/632151549.db2.gz PLMSNDOCSJHNRR-UHFFFAOYSA-N 0 0 289.265 0.147 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000896890184 632346789 /nfs/dbraw/zinc/34/67/89/632346789.db2.gz ZOVQKZAQPYHNQN-WDEREUQCSA-N 0 0 296.327 0.960 20 5 CCBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cn1 ZINC000896908543 632358426 /nfs/dbraw/zinc/35/84/26/632358426.db2.gz CGKCYFAJXPKXEO-DTORHVGOSA-N 0 0 283.309 0.471 20 5 CCBDRN C[C@H]1COC[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000928893243 632688466 /nfs/dbraw/zinc/68/84/66/632688466.db2.gz RHRIUONTONDDDV-JGVFFNPUSA-N 0 0 253.258 0.698 20 5 CCBDRN O=[N+]([O-])c1cnn(CCN2CCO[C@H](C(F)F)C2)c1 ZINC000801564337 633574538 /nfs/dbraw/zinc/57/45/38/633574538.db2.gz YXDQWMSJVYRFBY-VIFPVBQESA-N 0 0 276.243 0.757 20 5 CCBDRN O=[N+]([O-])c1ccc(N2CCC3(C2)OCCO3)cn1 ZINC000306616940 633576182 /nfs/dbraw/zinc/57/61/82/633576182.db2.gz QNLVUGSIKVLMIZ-UHFFFAOYSA-N 0 0 251.242 0.943 20 5 CCBDRN O=C1[C@@H]2C[C@]2(c2ccccc2)C(=O)N1CC[N+](=O)[O-] ZINC000899916527 633923346 /nfs/dbraw/zinc/92/33/46/633923346.db2.gz KSGYCQLNRPEYGU-GXFFZTMASA-N 0 0 260.249 0.590 20 5 CCBDRN CS(=O)(=O)Cc1ccc(NCC[N+](=O)[O-])cc1 ZINC000905311798 634841756 /nfs/dbraw/zinc/84/17/56/634841756.db2.gz BWXZCRGYKPVOMI-UHFFFAOYSA-N 0 0 258.299 0.920 20 5 CCBDRN Cn1c(C(=O)OC[C@@H]2C[C@@H]3COC[C@H]3O2)ccc1[N+](=O)[O-] ZINC000908815768 635454795 /nfs/dbraw/zinc/45/47/95/635454795.db2.gz FYLZYADBDCYSDT-WCABBAIRSA-N 0 0 296.279 0.894 20 5 CCBDRN O=C(NCc1ncc2c(n1)CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000909683752 635583291 /nfs/dbraw/zinc/58/32/91/635583291.db2.gz VWOZZXKMILRRPM-PSASIEDQSA-N 0 0 262.269 0.247 20 5 CCBDRN CCC(C)(CC)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000991290799 635854343 /nfs/dbraw/zinc/85/43/43/635854343.db2.gz OWOMJPZKOKLEPY-GHMZBOCLSA-N 0 0 297.355 0.805 20 5 CCBDRN O=C(NC1CN(C(=O)C2CC3(CC3)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991297747 635873318 /nfs/dbraw/zinc/87/33/18/635873318.db2.gz VXQTXFMVLLVUNM-GHMZBOCLSA-N 0 0 293.323 0.169 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC(N2CCOCC2)C1 ZINC000911654731 636335217 /nfs/dbraw/zinc/33/52/17/636335217.db2.gz OOCUMOCTIRDAJK-UHFFFAOYSA-N 0 0 280.284 0.080 20 5 CCBDRN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000911804421 636398218 /nfs/dbraw/zinc/39/82/18/636398218.db2.gz DXZOSEFPDUNKAJ-AEJSXWLSSA-N 0 0 285.344 0.946 20 5 CCBDRN NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)c([N+](=O)[O-])c1 ZINC000912771826 636672727 /nfs/dbraw/zinc/67/27/27/636672727.db2.gz SNQNYPNPNSRCNZ-UHFFFAOYSA-N 0 0 291.223 0.847 20 5 CCBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C1CS(=O)(=O)C1 ZINC000913138332 636753697 /nfs/dbraw/zinc/75/36/97/636753697.db2.gz VGQPCOMNEHIYGT-UHFFFAOYSA-N 0 0 298.320 0.772 20 5 CCBDRN Cc1c(C(=O)N2CCN(C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000913555097 636991088 /nfs/dbraw/zinc/99/10/88/636991088.db2.gz UDQPMAHIFNOTTN-NSHDSACASA-N 0 0 293.323 0.652 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1N1CCC[C@H](C2OCCO2)C1 ZINC000075720976 637155906 /nfs/dbraw/zinc/15/59/06/637155906.db2.gz XPZVUPHXFCNVTN-VIFPVBQESA-N 0 0 282.300 0.918 20 5 CCBDRN O=C(Cc1cccc([N+](=O)[O-])c1)OC[C@@H]1CCC(=O)N1 ZINC000173501288 637221109 /nfs/dbraw/zinc/22/11/09/637221109.db2.gz GCFICYLLIQSRCN-JTQLQIEISA-N 0 0 278.264 0.959 20 5 CCBDRN CN(CC(=O)OCC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000174067681 637239146 /nfs/dbraw/zinc/23/91/46/637239146.db2.gz FGFWWBRHSYSTLG-UHFFFAOYSA-N 0 0 267.241 0.060 20 5 CCBDRN Nc1ccc(NC[C@H](O)C(F)(F)F)nc1[N+](=O)[O-] ZINC000311240421 637294458 /nfs/dbraw/zinc/29/44/58/637294458.db2.gz YUIJWOGIASQBGO-YFKPBYRVSA-N 0 0 266.179 0.907 20 5 CCBDRN O=c1c(F)cc([N+](=O)[O-])cn1CCO[C@H]1CCOC1 ZINC000917872768 637991360 /nfs/dbraw/zinc/99/13/60/637991360.db2.gz HTGYHDHNXUUDCC-VIFPVBQESA-N 0 0 272.232 0.701 20 5 CCBDRN O=C1O[C@H](Cn2ccnc2[N+](=O)[O-])CN1C1CC1 ZINC000918386051 638014884 /nfs/dbraw/zinc/01/48/84/638014884.db2.gz DXAPNWNDNNYVGB-MRVPVSSYSA-N 0 0 252.230 0.775 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)C1CCCCC1 ZINC000919520335 638083976 /nfs/dbraw/zinc/08/39/76/638083976.db2.gz NAVSCMJKJZLUGJ-UHFFFAOYSA-N 0 0 296.283 0.879 20 5 CCBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NC1=NCCS1 ZINC000919839831 638107740 /nfs/dbraw/zinc/10/77/40/638107740.db2.gz YNGSHQPMTTXMGQ-UHFFFAOYSA-N 0 0 269.286 0.400 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CCOC1=O ZINC000920906712 638156040 /nfs/dbraw/zinc/15/60/40/638156040.db2.gz FOMOJBGBOAXEEY-MRVPVSSYSA-N 0 0 283.240 0.349 20 5 CCBDRN C[C@@H]1COC[C@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000921497545 638370909 /nfs/dbraw/zinc/37/09/09/638370909.db2.gz POJLXXSMMPRWLU-HTRCEHHLSA-N 0 0 292.338 0.970 20 5 CCBDRN O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@H]2C[C@@]2(O)C1 ZINC000921894507 639397610 /nfs/dbraw/zinc/39/76/10/639397610.db2.gz RDKFYCGALIDBML-JMCQJSRRSA-N 0 0 266.228 0.941 20 5 CCBDRN COc1cc(C(=O)N2CC=C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000922266039 639610658 /nfs/dbraw/zinc/61/06/58/639610658.db2.gz GJDAJAJZDOYEDR-SNVBAGLBSA-N 0 0 278.264 0.976 20 5 CCBDRN C[C@H](COC(=O)c1cn(C2CCC2)nn1)[N+](=O)[O-] ZINC000842802330 640234068 /nfs/dbraw/zinc/23/40/68/640234068.db2.gz VODCRKPIMAOBLZ-SSDOTTSWSA-N 0 0 254.246 0.825 20 5 CCBDRN C[C@@H](CCn1cccn1)OC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000755823180 640337772 /nfs/dbraw/zinc/33/77/72/640337772.db2.gz LVDOEXMQWLZSOC-VIFPVBQESA-N 0 0 294.271 0.405 20 5 CCBDRN Cc1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839564908 640343711 /nfs/dbraw/zinc/34/37/11/640343711.db2.gz ZLWOKBMPVUMWIT-VXGBXAGGSA-N 0 0 291.307 0.506 20 5 CCBDRN C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000839702889 640349226 /nfs/dbraw/zinc/34/92/26/640349226.db2.gz CJZNULZGZQCJSB-QCNOEVLYSA-N 0 0 278.312 0.958 20 5 CCBDRN O=C(Nc1ccc2c(c1)C(=O)NCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839686355 640349929 /nfs/dbraw/zinc/34/99/29/640349929.db2.gz MYUARNNLSSDYDL-GHMZBOCLSA-N 0 0 275.264 0.576 20 5 CCBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@H](C(F)(F)F)C1 ZINC000839687922 640350026 /nfs/dbraw/zinc/35/00/26/640350026.db2.gz ILGBSZVGVUYNKO-QYNIQEEDSA-N 0 0 268.191 0.441 20 5 CCBDRN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839713276 640356697 /nfs/dbraw/zinc/35/66/97/640356697.db2.gz RZPIOTMURJAQSU-ILAIQSSSSA-N 0 0 266.297 0.725 20 5 CCBDRN O=C(NC[C@@]1(O)CCc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839713166 640356852 /nfs/dbraw/zinc/35/68/52/640356852.db2.gz OKATUOUPFCYDER-QKCSRTOESA-N 0 0 276.292 0.602 20 5 CCBDRN O=C(N[C@H]1CCCC[C@@H]1N1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839706971 640356934 /nfs/dbraw/zinc/35/69/34/640356934.db2.gz XZYLLCOHESPATQ-MROQNXINSA-N 0 0 297.355 0.411 20 5 CCBDRN C[C@H](CCO)C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC000839721866 640358380 /nfs/dbraw/zinc/35/83/80/640358380.db2.gz UNYOQBCCYGJXQB-GMTAPVOTSA-N 0 0 270.329 0.957 20 5 CCBDRN Cc1ccsc1[C@@H](CO)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839725419 640358533 /nfs/dbraw/zinc/35/85/33/640358533.db2.gz QSGKEHHARAJVKN-IWSPIJDZSA-N 0 0 270.310 0.871 20 5 CCBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000839762350 640359855 /nfs/dbraw/zinc/35/98/55/640359855.db2.gz VKIFSMDXKKTLNA-DBIOUOCHSA-N 0 0 254.286 0.822 20 5 CCBDRN O=C(Nc1n[nH]cc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC000839768262 640360705 /nfs/dbraw/zinc/36/07/05/640360705.db2.gz QUEAPZOPEPINMN-NQXXGFSBSA-N 0 0 275.062 0.776 20 5 CCBDRN COc1ncccc1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839774158 640363031 /nfs/dbraw/zinc/36/30/31/640363031.db2.gz MBIFFESYTLHSSV-NXEZZACHSA-N 0 0 265.269 0.414 20 5 CCBDRN C[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)C1CC1 ZINC000798600810 640504931 /nfs/dbraw/zinc/50/49/31/640504931.db2.gz OQUYSSHCPRQBHO-LURJTMIESA-N 0 0 268.229 0.097 20 5 CCBDRN C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])S(N)(=O)=O ZINC000800861189 640622542 /nfs/dbraw/zinc/62/25/42/640622542.db2.gz FSXAMWXGWHEMKY-ZCFIWIBFSA-N 0 0 274.302 0.266 20 5 CCBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H](C2OCCO2)C1 ZINC000801611819 640662474 /nfs/dbraw/zinc/66/24/74/640662474.db2.gz KSRRXVMEGCLWAD-QMMMGPOBSA-N 0 0 296.283 0.543 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCCCCCO ZINC000803414930 640732995 /nfs/dbraw/zinc/73/29/95/640732995.db2.gz HWNVFQWMVXCPGS-UHFFFAOYSA-N 0 0 257.246 0.648 20 5 CCBDRN O=C([C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000808209601 640855566 /nfs/dbraw/zinc/85/55/66/640855566.db2.gz YEPJJGWMNDKEDR-NSHDSACASA-N 0 0 293.327 0.693 20 5 CCBDRN Cc1cnc(COC(=O)c2nn(C)cc2[N+](=O)[O-])nc1 ZINC000808532792 640867622 /nfs/dbraw/zinc/86/76/22/640867622.db2.gz KYQNQEMNWVXMBH-UHFFFAOYSA-N 0 0 277.240 0.784 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1CCC(=O)NC1 ZINC000809018843 640885939 /nfs/dbraw/zinc/88/59/39/640885939.db2.gz KSYDDGLCCVASHR-VIFPVBQESA-N 0 0 296.283 0.312 20 5 CCBDRN O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CCC(=O)NC1 ZINC000809022425 640886456 /nfs/dbraw/zinc/88/64/56/640886456.db2.gz OAJZBHBGJIIDNV-VIFPVBQESA-N 0 0 282.256 0.003 20 5 CCBDRN O=C(OCCn1cnc([N+](=O)[O-])n1)[C@H]1CCCSC1 ZINC000810607571 640941083 /nfs/dbraw/zinc/94/10/83/640941083.db2.gz SEQQDSLFHNSYFE-QMMMGPOBSA-N 0 0 286.313 0.873 20 5 CCBDRN C[C@@H](COC(=O)c1cc(OC(F)F)n(C)n1)[N+](=O)[O-] ZINC000813108258 641023469 /nfs/dbraw/zinc/02/34/69/641023469.db2.gz WZJCVJXCKJLLQA-YFKPBYRVSA-N 0 0 279.199 0.844 20 5 CCBDRN C[C@H](COC(=O)COCc1ccnn1C)[N+](=O)[O-] ZINC000813106476 641023533 /nfs/dbraw/zinc/02/35/33/641023533.db2.gz DCWFUQSCJRGRRF-MRVPVSSYSA-N 0 0 257.246 0.145 20 5 CCBDRN C[C@H](COC(=O)C1(C)COC(C)(C)OC1)[N+](=O)[O-] ZINC000813107518 641023627 /nfs/dbraw/zinc/02/36/27/641023627.db2.gz RTJUMXRVBWXRHZ-MRVPVSSYSA-N 0 0 261.274 0.984 20 5 CCBDRN C[C@H](COC(=O)c1ncn(C(C)(C)C)n1)[N+](=O)[O-] ZINC000813111014 641024719 /nfs/dbraw/zinc/02/47/19/641024719.db2.gz AIWMYRFNEGUTFQ-SSDOTTSWSA-N 0 0 256.262 0.855 20 5 CCBDRN COc1c2cnn(C)c2ncc1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813113214 641024927 /nfs/dbraw/zinc/02/49/27/641024927.db2.gz OJPBTCDSSVDMJV-ZETCQYMHSA-N 0 0 294.267 0.799 20 5 CCBDRN O=C(CCn1cc([N+](=O)[O-])cn1)OCC[C@@H]1CCNC1=O ZINC000813920249 641049507 /nfs/dbraw/zinc/04/95/07/641049507.db2.gz SDCQYXROGRJLBF-VIFPVBQESA-N 0 0 296.283 0.251 20 5 CCBDRN Cc1cccn2c(=O)c(C(=O)O[C@@H](C)C[N+](=O)[O-])cnc12 ZINC000814033506 641052788 /nfs/dbraw/zinc/05/27/88/641052788.db2.gz BDWOHZIHHAAEKB-VIFPVBQESA-N 0 0 291.263 0.825 20 5 CCBDRN C[C@H](C[N+](=O)[O-])OC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000814037387 641053480 /nfs/dbraw/zinc/05/34/80/641053480.db2.gz XBCALXZJIUDHGF-SECBINFHSA-N 0 0 291.267 0.413 20 5 CCBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000814037321 641053541 /nfs/dbraw/zinc/05/35/41/641053541.db2.gz WADYKBFCOUYVGC-MRVPVSSYSA-N 0 0 298.299 0.715 20 5 CCBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000814037317 641053734 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COC1(CNc2c([N+](=O)[O-])cnn2C)CCOCC1 ZINC001335463583 920209701 /nfs/dbraw/zinc/20/97/01/920209701.db2.gz ASBCXQZAWFUTIS-UHFFFAOYSA-N 0 0 270.289 0.936 20 5 CCBDRN O=c1ccn(C[C@@H]2C[C@H]3COC[C@@H]3O2)cc1[N+](=O)[O-] ZINC001336253647 920688689 /nfs/dbraw/zinc/68/86/89/920688689.db2.gz LHKZTXCIRFWEHD-AUTRQRHGSA-N 0 0 266.253 0.560 20 5 CCBDRN Cc1cncc([N+](=O)[O-])c1N1CCNC(=O)CC1 ZINC001336504568 920808464 /nfs/dbraw/zinc/80/84/64/920808464.db2.gz CQCOOYYVIBIIAM-UHFFFAOYSA-N 0 0 250.258 0.625 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC001336699969 920935625 /nfs/dbraw/zinc/93/56/25/920935625.db2.gz UXMHDLQTXNWHNN-MRVPVSSYSA-N 0 0 295.299 0.056 20 5 CCBDRN Cc1nnc(COC(=O)c2c([N+](=O)[O-])cnn2C)o1 ZINC001336700179 920936174 /nfs/dbraw/zinc/93/61/74/920936174.db2.gz YTQJCDBCIDWOAH-UHFFFAOYSA-N 0 0 267.201 0.377 20 5 CCBDRN O=[N+]([O-])c1ccc(N2C[C@H](CO)[C@@H](CCO)C2)nc1 ZINC001339988036 921908391 /nfs/dbraw/zinc/90/83/91/921908391.db2.gz VZCFPHAPYATSCN-VHSXEESVSA-N 0 0 267.285 0.417 20 5 CCBDRN C[C@H](c1nnc(N(CCCCO)C2CC2)n1C)[N+](=O)[O-] ZINC001341358280 922439712 /nfs/dbraw/zinc/43/97/12/922439712.db2.gz FOHDLLHCELGDBY-SECBINFHSA-N 0 0 283.332 0.894 20 5 CCBDRN Cc1ncoc1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC001342637084 923035268 /nfs/dbraw/zinc/03/52/68/923035268.db2.gz FQBSHLXKEMAZHS-UHFFFAOYSA-N 0 0 279.256 0.863 20 5 CCBDRN CCn1c(C[N+](=O)[O-])nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001342650338 923037452 /nfs/dbraw/zinc/03/74/52/923037452.db2.gz DHDPGDSHXYKQTK-ZJUUUORDSA-N 0 0 281.316 0.690 20 5 CCBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCNNCC1 ZINC001342799892 923093378 /nfs/dbraw/zinc/09/33/78/923093378.db2.gz DAAMEIKLCSMWDN-UHFFFAOYSA-N 0 0 278.312 0.762 20 5 CCBDRN C[C@H]1c2nncn2CCN1c1c([N+](=O)[O-])ncn1C ZINC001343547783 923370199 /nfs/dbraw/zinc/37/01/99/923370199.db2.gz NUSYQTRPEWDTMG-ZETCQYMHSA-N 0 0 263.261 0.501 20 5 CCBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001344403369 923595827 /nfs/dbraw/zinc/59/58/27/923595827.db2.gz NPQZILQMUGNUSM-GYIHNLGQSA-N 0 0 285.296 0.827 20 5 CCBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C1(n2cccn2)CC1 ZINC001344404428 923597628 /nfs/dbraw/zinc/59/76/28/923597628.db2.gz UTXXPBJLBXSXSU-SECBINFHSA-N 0 0 253.258 0.971 20 5 CCBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001344998402 923756525 /nfs/dbraw/zinc/75/65/25/923756525.db2.gz HMQSTGNULADKTI-XWLWVQCSSA-N 0 0 273.285 0.636 20 5 CCBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@@H]1CO ZINC001345382589 923867676 /nfs/dbraw/zinc/86/76/76/923867676.db2.gz XNIYFKHDKFMLLN-SSDOTTSWSA-N 0 0 254.246 0.305 20 5 CCBDRN CN(CC1CC1)c1nnc(C[N+](=O)[O-])n1C[C@@H]1CCOC1 ZINC001345381426 923869260 /nfs/dbraw/zinc/86/92/60/923869260.db2.gz ACKDEDOOLGGTFF-NSHDSACASA-N 0 0 295.343 0.938 20 5 CCBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCN(C2CC2)C1=O ZINC001346158365 924088753 /nfs/dbraw/zinc/08/87/53/924088753.db2.gz JGAJPBSOPWCEFL-WCBMZHEXSA-N 0 0 270.285 0.596 20 5 CCBDRN Cc1noc(CN2CCC(C(N)=O)CC2)c1[N+](=O)[O-] ZINC001347092043 924368768 /nfs/dbraw/zinc/36/87/68/924368768.db2.gz ULCIHFLICFJHLB-UHFFFAOYSA-N 0 0 268.273 0.589 20 5 CCBDRN CCCCC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001349714928 925031327 /nfs/dbraw/zinc/03/13/27/925031327.db2.gz IGWNWQSCIXJWLS-NXEZZACHSA-N 0 0 271.317 0.464 20 5 CCBDRN CCc1n[nH]c(C(=O)NCCc2nccn2C)c1[N+](=O)[O-] ZINC001350475315 925208049 /nfs/dbraw/zinc/20/80/49/925208049.db2.gz YKALNMQJGJMFNT-UHFFFAOYSA-N 0 0 292.299 0.586 20 5 CCBDRN CN(CCCCCO)c1nnc(C[N+](=O)[O-])n1C ZINC001350597441 925236035 /nfs/dbraw/zinc/23/60/35/925236035.db2.gz BPVINNYPVBCCHL-UHFFFAOYSA-N 0 0 257.294 0.191 20 5 CCBDRN Cn1cc(CSCc2cnnn2C)c([N+](=O)[O-])n1 ZINC001350620324 925241124 /nfs/dbraw/zinc/24/11/24/925241124.db2.gz BZIKLLZGMYDNFI-UHFFFAOYSA-N 0 0 268.302 0.890 20 5 CCBDRN C[C@@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1CCO ZINC001351074719 925356544 /nfs/dbraw/zinc/35/65/44/925356544.db2.gz WUQNCYLYOQOJFN-PSASIEDQSA-N 0 0 282.300 0.941 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)NC1(C(F)(F)F)CCC1 ZINC001354545385 926128390 /nfs/dbraw/zinc/12/83/90/926128390.db2.gz KTOLSLKKKZKZAJ-UHFFFAOYSA-N 0 0 293.205 0.788 20 5 CCBDRN CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001355592484 926290082 /nfs/dbraw/zinc/29/00/82/926290082.db2.gz WSJGBCPJNODYFB-VXGBXAGGSA-N 0 0 291.307 0.540 20 5 CCBDRN CCn1c(CCC[N+](=O)[O-])nnc1N(C)CC1(C)COC1 ZINC001356269191 926363514 /nfs/dbraw/zinc/36/35/14/926363514.db2.gz DSZINTOBHOPTPJ-UHFFFAOYSA-N 0 0 297.359 0.980 20 5 CCBDRN O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCNNCC1 ZINC001356392566 926378661 /nfs/dbraw/zinc/37/86/61/926378661.db2.gz PKCOYRGIBHNJIT-OLZOCXBDSA-N 0 0 290.323 0.635 20 5 CCBDRN Cc1csc(=O)n1CCn1ccc(N)c([N+](=O)[O-])c1=O ZINC001473058668 926417432 /nfs/dbraw/zinc/41/74/32/926417432.db2.gz YGAUQMQPHDCKSE-UHFFFAOYSA-N 0 0 296.308 0.571 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1nccc(C)n1 ZINC001357161136 926490009 /nfs/dbraw/zinc/49/00/09/926490009.db2.gz UBGVKHMBMMFIJG-UHFFFAOYSA-N 0 0 276.256 0.837 20 5 CCBDRN Nc1ccn(CCOC2CCOCC2)c(=O)c1[N+](=O)[O-] ZINC001559438608 926927732 /nfs/dbraw/zinc/92/77/32/926927732.db2.gz RILQIARZADDROZ-UHFFFAOYSA-N 0 0 283.284 0.534 20 5 CCBDRN CN(C[C@H]1CCC[C@H]1O)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001446239398 930376036 /nfs/dbraw/zinc/37/60/36/930376036.db2.gz WFEKRPFOJSPXFJ-PSASIEDQSA-N 0 0 282.300 0.561 20 5 CCBDRN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001446917254 930518457 /nfs/dbraw/zinc/51/84/57/930518457.db2.gz QMXZCXQQUXAVRF-SCZZXKLOSA-N 0 0 294.311 0.948 20 5 CCBDRN C[C@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@@H]1O ZINC001447005639 930539978 /nfs/dbraw/zinc/53/99/78/930539978.db2.gz FAMJHZGJVPIDCX-XVKPBYJWSA-N 0 0 280.284 0.415 20 5 CCBDRN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2OCCCO2)n1 ZINC001447891896 930748376 /nfs/dbraw/zinc/74/83/76/930748376.db2.gz NKTUJQSWAHCOEG-UHFFFAOYSA-N 0 0 281.268 0.791 20 5 CCBDRN CC(C)(CCC(=O)N1CC(CC(N)=O)C1)[N+](=O)[O-] ZINC001448279033 930866825 /nfs/dbraw/zinc/86/68/25/930866825.db2.gz MLBINOQSJFCNGI-UHFFFAOYSA-N 0 0 257.290 0.156 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCC1(CO)CC1 ZINC001449621472 931170137 /nfs/dbraw/zinc/17/01/37/931170137.db2.gz KGYMGEUNVCSZHK-UHFFFAOYSA-N 0 0 295.295 0.035 20 5 CCBDRN Nc1ccc(NC(=O)c2cnn(CCO)c2)cc1[N+](=O)[O-] ZINC001450770721 931336372 /nfs/dbraw/zinc/33/63/72/931336372.db2.gz NVOGXFXSWDKNJD-UHFFFAOYSA-N 0 0 291.267 0.618 20 5 CCBDRN C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])c1csnn1 ZINC001451652932 931466673 /nfs/dbraw/zinc/46/66/73/931466673.db2.gz IKRQVDBQIODUGW-YFKPBYRVSA-N 0 0 294.296 0.915 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](CCO)CC1 ZINC001451676509 931470043 /nfs/dbraw/zinc/47/00/43/931470043.db2.gz MHYJCAGHSCPGTD-NSHDSACASA-N 0 0 296.327 0.802 20 5 CCBDRN C[C@@H](C(=O)[O-])[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC001602821385 971626835 /nfs/dbraw/zinc/62/68/35/971626835.db2.gz BGEBDHYGCQGCAW-ZETCQYMHSA-N 0 0 268.273 0.766 20 5 CCBDRN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(C(=O)[O-])CCOC1 ZINC001594112221 958523453 /nfs/dbraw/zinc/52/34/53/958523453.db2.gz DIOCGSVWUKYORQ-CYBMUJFWSA-N 0 0 296.279 0.937 20 5 CCBDRN C[C@H](C(=O)[O-])[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001588597371 959391855 /nfs/dbraw/zinc/39/18/55/959391855.db2.gz VBZDTXAIGBYJAF-MRVPVSSYSA-N 0 0 268.273 0.901 20 5 CCBDRN C[NH+](C)CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598196313 990801281 /nfs/dbraw/zinc/80/12/81/990801281.db2.gz DESFJHXICCBSFO-ZDUSSCGKSA-N 0 0 295.295 0.572 20 5 CCBDRN C[N@H+](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])CC(=O)[O-] ZINC001598493039 992329707 /nfs/dbraw/zinc/32/97/07/992329707.db2.gz ZDUDDDLKWQVXLP-UHFFFAOYSA-N 0 0 299.258 0.480 20 5 CCBDRN C[C@H](O)C[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593461821 995379326 /nfs/dbraw/zinc/37/93/26/995379326.db2.gz CKKWROHEYTZPBJ-QMMMGPOBSA-N 0 0 284.268 0.529 20 5 CCBDRN COC[C@](C)([NH3+])CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599150753 998293765 /nfs/dbraw/zinc/29/37/65/998293765.db2.gz CXRRJOLITNTBMV-LLVKDONJSA-N 0 0 284.272 0.464 20 5 CCBDRN COC(=O)[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090526269 349438714 /nfs/dbraw/zinc/43/87/14/349438714.db2.gz VKCZUSZPEPSFOE-NSHDSACASA-N 0 0 295.295 0.394 20 5 CCBDRN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC(=O)N1 ZINC000091550057 349467303 /nfs/dbraw/zinc/46/73/03/349467303.db2.gz MLJMMTQCWQEOKB-QMMMGPOBSA-N 0 0 267.289 0.810 20 5 CCBDRN O=[N+]([O-])c1cccc(CNS(=O)(=O)C2COC2)c1 ZINC000617228020 365566864 /nfs/dbraw/zinc/56/68/64/365566864.db2.gz MQHAGLKPKDHNEE-UHFFFAOYSA-N 0 0 272.282 0.413 20 5 CCBDRN COC(=O)[C@@](C)(NC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000599654011 361773801 /nfs/dbraw/zinc/77/38/01/361773801.db2.gz QDGNEPNNYDLGPR-RNCFNFMXSA-N 0 0 282.296 0.953 20 5 CCBDRN COc1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC000599845576 361818888 /nfs/dbraw/zinc/81/88/88/361818888.db2.gz BFUJVFJICHHRDJ-UHFFFAOYSA-N 0 0 295.259 0.345 20 5 CCBDRN CC(C)n1ncnc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000599859713 361822218 /nfs/dbraw/zinc/82/22/18/361822218.db2.gz 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258.253 0.235 20 5 CCBDRN C[C@@](O)(CO)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000338627131 355383338 /nfs/dbraw/zinc/38/33/38/355383338.db2.gz LZKFEEDBAXWVOS-ZDUSSCGKSA-N 0 0 293.279 0.549 20 5 CCBDRN COC(=O)[C@H](C)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000338438306 355348620 /nfs/dbraw/zinc/34/86/20/355348620.db2.gz VOWWSQFRZNEGIP-SECBINFHSA-N 0 0 296.279 0.899 20 5 CCBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@](F)(CO)C1 ZINC000338738533 355408454 /nfs/dbraw/zinc/40/84/54/355408454.db2.gz APDFIBBSGNLJQT-GFCCVEGCSA-N 0 0 283.259 0.845 20 5 CCBDRN CC(=O)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000532120558 358496189 /nfs/dbraw/zinc/49/61/89/358496189.db2.gz MBORWRSMJQGTIS-VIFPVBQESA-N 0 0 280.284 0.284 20 5 CCBDRN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000338855407 355437754 /nfs/dbraw/zinc/43/77/54/355437754.db2.gz PYTDGRKUTUEPES-ZCFIWIBFSA-N 0 0 276.252 0.680 20 5 CCBDRN COCCC(C)(C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000338871649 355441694 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NHVJYGCYQKKYQX-UHFFFAOYSA-N 0 0 293.283 0.903 20 5 CCBDRN CCNC(=O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352622169 356033933 /nfs/dbraw/zinc/03/39/33/356033933.db2.gz YEXUXBOALPLBOB-UHFFFAOYSA-N 0 0 279.296 0.925 20 5 CCBDRN C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000352773137 356075598 /nfs/dbraw/zinc/07/55/98/356075598.db2.gz SHSPUPVVBBOBOM-CABZTGNLSA-N 0 0 279.296 0.846 20 5 CCBDRN COC[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)OC ZINC000272999032 192014339 /nfs/dbraw/zinc/01/43/39/192014339.db2.gz QZMIICNZRMUNTF-LBPRGKRZSA-N 0 0 298.295 0.751 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCc2n[nH]nc2C1 ZINC000359740863 137962902 /nfs/dbraw/zinc/96/29/02/137962902.db2.gz ARGNAWONOZWAJE-UHFFFAOYSA-N 0 0 263.213 0.504 20 5 CCBDRN C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)S1=O ZINC000360707422 138007765 /nfs/dbraw/zinc/00/77/65/138007765.db2.gz KKKCFUWDZQGVQN-BQBZGAKWSA-N 0 0 286.313 0.299 20 5 CCBDRN CS[C@H](CO)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360755704 138009492 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CCn1c(C)nc([N+](=O)[O-])c1NC[C@@](C)(O)C(=O)OC ZINC000361006564 138018477 /nfs/dbraw/zinc/01/84/77/138018477.db2.gz HRUUPCBONAPWSU-LLVKDONJSA-N 0 0 286.288 0.456 20 5 CCBDRN O=C1C[C@H](Nc2ccncc2[N+](=O)[O-])CN1C1CC1 ZINC000361002677 138018531 /nfs/dbraw/zinc/01/85/31/138018531.db2.gz OQMLQXMDCRGHCW-QMMMGPOBSA-N 0 0 262.269 0.587 20 5 CCBDRN C[C@@H](CC(N)=O)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000361058155 138020367 /nfs/dbraw/zinc/02/03/67/138020367.db2.gz IUGUUHPRRSMQTO-VIFPVBQESA-N 0 0 295.295 0.744 20 5 CCBDRN O=c1ccccn1CCNc1ccncc1[N+](=O)[O-] ZINC000354085426 356344340 /nfs/dbraw/zinc/34/43/40/356344340.db2.gz IDSXOYVLCQOBEO-UHFFFAOYSA-N 0 0 260.253 0.686 20 5 CCBDRN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000273578135 192211853 /nfs/dbraw/zinc/21/18/53/192211853.db2.gz YQVQOEFZFRWCIT-NKWVEPMBSA-N 0 0 298.299 0.944 20 5 CCBDRN Cc1[nH]nc(C(=O)Nc2cc(C)cn(C)c2=O)c1[N+](=O)[O-] ZINC000362136192 138048718 /nfs/dbraw/zinc/04/87/18/138048718.db2.gz 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CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1nnc[nH]1 ZINC001296873935 906969530 /nfs/dbraw/zinc/96/95/30/906969530.db2.gz AQROUUJEPJXLMV-UHFFFAOYSA-N 0 0 289.295 0.957 20 5 CCBDRN COC[C@H](CO)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001297280296 907049928 /nfs/dbraw/zinc/04/99/28/907049928.db2.gz CIYAWXFVMDLHNV-JTQLQIEISA-N 0 0 282.296 0.949 20 5 CCBDRN Nc1cc(N2CCN3CCOC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001337933591 921304432 /nfs/dbraw/zinc/30/44/32/921304432.db2.gz WOIIGEFEIKINLE-VIFPVBQESA-N 0 0 279.300 0.093 20 5 CCBDRN C[C@H]1OCC[C@H]1C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001337877605 921300822 /nfs/dbraw/zinc/30/08/22/921300822.db2.gz PTJGHUWLCCZCOS-RNFRBKRXSA-N 0 0 254.246 0.692 20 5 CCBDRN CCCc1n[nH]c(C(=O)NC2CC(=O)C2)c1[N+](=O)[O-] ZINC001298359903 907227650 /nfs/dbraw/zinc/22/76/50/907227650.db2.gz SPKKKPAGEJXHLQ-UHFFFAOYSA-N 0 0 266.257 0.732 20 5 CCBDRN C[C@@H](CCCO)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001298528998 907258280 /nfs/dbraw/zinc/25/82/80/907258280.db2.gz RUMQYJSZBLJVDY-JTQLQIEISA-N 0 0 297.311 0.281 20 5 CCBDRN C[C@@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](C)O1 ZINC001302413012 908021216 /nfs/dbraw/zinc/02/12/16/908021216.db2.gz OWWBKRPOHHMXEB-VQVTYTSYSA-N 0 0 254.246 0.614 20 5 CCBDRN O=C(N[C@H]1CC[C@@H](O)[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC001304143856 908150029 /nfs/dbraw/zinc/15/00/29/908150029.db2.gz JCRPIKNHHJSTPL-AXTRIDKLSA-N 0 0 280.280 0.599 20 5 CCBDRN O=C(NC[C@@H](O)CO)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001304470844 908165720 /nfs/dbraw/zinc/16/57/20/908165720.db2.gz SRRRCTHQMABMJS-SECBINFHSA-N 0 0 296.304 0.893 20 5 CCBDRN Cc1cc(NC(=O)[C@@]2(O)CCOC2)cc([N+](=O)[O-])c1 ZINC001305601587 908208895 /nfs/dbraw/zinc/20/88/95/908208895.db2.gz PMIUEEBFRBFGJY-GFCCVEGCSA-N 0 0 266.253 0.993 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001305999979 908231435 /nfs/dbraw/zinc/23/14/35/908231435.db2.gz UMJRGDNYAXYNLN-DJLDLDEBSA-N 0 0 266.257 0.227 20 5 CCBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccnn1C ZINC001306887611 908275253 /nfs/dbraw/zinc/27/52/53/908275253.db2.gz KRMQFNMEZKASJX-ZETCQYMHSA-N 0 0 291.267 0.920 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(N[C@@H]2CCn3ccnc3C2)n1 ZINC001307100576 908282968 /nfs/dbraw/zinc/28/29/68/908282968.db2.gz CCJKSISCJRHQHE-MRVPVSSYSA-N 0 0 262.273 0.952 20 5 CCBDRN Cc1nc2c(c(=O)[nH]1)CN(c1c([N+](=O)[O-])ncn1C)C2 ZINC001307179979 908291880 /nfs/dbraw/zinc/29/18/80/908291880.db2.gz YXINRSBVQCUNRD-UHFFFAOYSA-N 0 0 276.256 0.653 20 5 CCBDRN Cn1c(C[N+](=O)[O-])nnc1N1C[C@H]2COC[C@]2(C)C1 ZINC001338209822 921397754 /nfs/dbraw/zinc/39/77/54/921397754.db2.gz KMPWROHVNWFUJR-KWQFWETISA-N 0 0 267.289 0.065 20 5 CCBDRN CCc1nn(C)c(N2CCn3nc(N)cc3C2)c1[N+](=O)[O-] ZINC001307202181 908296172 /nfs/dbraw/zinc/29/61/72/908296172.db2.gz UECLDUVSYVVRSQ-UHFFFAOYSA-N 0 0 291.315 0.690 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1N1CCC([C@@H]2COC(=O)N2)CC1 ZINC001307221494 908297325 /nfs/dbraw/zinc/29/73/25/908297325.db2.gz CFPXOYNIVVCYBR-VIFPVBQESA-N 0 0 295.299 0.653 20 5 CCBDRN COC(=O)c1cc([N+](=O)[O-])cn(CCOC2CC2)c1=O ZINC001307294627 908302362 /nfs/dbraw/zinc/30/23/62/908302362.db2.gz GUDGNUANICDFEA-UHFFFAOYSA-N 0 0 282.252 0.722 20 5 CCBDRN Nc1cc(Cn2cc([N+](=O)[O-])cc(F)c2=O)ccn1 ZINC001307360715 908308496 /nfs/dbraw/zinc/30/84/96/908308496.db2.gz BYDBNFUDBACPGY-UHFFFAOYSA-N 0 0 264.216 0.921 20 5 CCBDRN COC(=O)c1nn(CC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC001307388043 908310585 /nfs/dbraw/zinc/31/05/85/908310585.db2.gz VCJXYXXUWQDPSM-UHFFFAOYSA-N 0 0 284.272 0.493 20 5 CCBDRN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC(CO)CC1 ZINC001310520111 908502587 /nfs/dbraw/zinc/50/25/87/908502587.db2.gz WOFWWINPXDVMFB-UHFFFAOYSA-N 0 0 294.311 0.956 20 5 CCBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CO ZINC001317809612 909505518 /nfs/dbraw/zinc/50/55/18/909505518.db2.gz NVXAFGZVHQJBNT-ZETCQYMHSA-N 0 0 253.258 0.747 20 5 CCBDRN CC(C)CC(=O)N1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001317889434 909536041 /nfs/dbraw/zinc/53/60/41/909536041.db2.gz KYOZGGQKMGUFRU-UHFFFAOYSA-N 0 0 295.343 0.939 20 5 CCBDRN Cc1nn(C)c(C(=O)NC2=NCCS2)c1[N+](=O)[O-] ZINC001317966720 909554791 /nfs/dbraw/zinc/55/47/91/909554791.db2.gz NTQQLBRKGKOANF-UHFFFAOYSA-N 0 0 269.286 0.469 20 5 CCBDRN CC[S@@](=O)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC001318833521 909900714 /nfs/dbraw/zinc/90/07/14/909900714.db2.gz QAMMGAGZXZNLFK-LJQANCHMSA-N 0 0 288.329 0.135 20 5 CCBDRN Nc1nc(Cl)cc(-n2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC001318866737 909906903 /nfs/dbraw/zinc/90/69/03/909906903.db2.gz GVSFPQATBKMHFH-UHFFFAOYSA-N 0 0 267.632 0.771 20 5 CCBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)COC ZINC001319176002 910017413 /nfs/dbraw/zinc/01/74/13/910017413.db2.gz NBWWCENNRKOPED-ZDUSSCGKSA-N 0 0 297.311 0.764 20 5 CCBDRN CC[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319177262 910018899 /nfs/dbraw/zinc/01/88/99/910018899.db2.gz KBCUFBXHTJNWJY-MRVPVSSYSA-N 0 0 253.258 0.671 20 5 CCBDRN CCC(=O)[C@@H](C)OC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319481671 910172486 /nfs/dbraw/zinc/17/24/86/910172486.db2.gz CQAVTACPYCQYJC-MRVPVSSYSA-N 0 0 282.252 0.667 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)NCCCn2ccnc2)n1 ZINC001319628925 910237622 /nfs/dbraw/zinc/23/76/22/910237622.db2.gz BYMORURKWJXYPC-UHFFFAOYSA-N 0 0 278.272 0.345 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)O[C@H]1CCN(C2CC2)C1=O ZINC001319757178 910286905 /nfs/dbraw/zinc/28/69/05/910286905.db2.gz XUWIBPGQQPXPLT-VIFPVBQESA-N 0 0 294.267 0.248 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)NCC(=O)N2CCCCC2)n1 ZINC001319784915 910292914 /nfs/dbraw/zinc/29/29/14/910292914.db2.gz SMSLYOOYUNFILZ-UHFFFAOYSA-N 0 0 295.299 0.071 20 5 CCBDRN C[S@@](=O)c1ncn(C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001319844160 910316752 /nfs/dbraw/zinc/31/67/52/910316752.db2.gz KEYAAVQJEAREFN-WVDJIFEKSA-N 0 0 296.308 0.657 20 5 CCBDRN C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1nccs1 ZINC001320221001 910535644 /nfs/dbraw/zinc/53/56/44/910535644.db2.gz CNMWGGROMWMXKE-SSDOTTSWSA-N 0 0 296.312 0.563 20 5 CCBDRN CCC[C@](C)(CO)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001320413229 910665122 /nfs/dbraw/zinc/66/51/22/910665122.db2.gz VVIVXMLJGIEHMP-CYBMUJFWSA-N 0 0 297.311 0.424 20 5 CCBDRN Nc1c([N+](=O)[O-])cnn1C[C@@H]1CC2(CC2)C(=O)O1 ZINC001320894491 910921584 /nfs/dbraw/zinc/92/15/84/910921584.db2.gz MJZDHSBFUXPVQW-LURJTMIESA-N 0 0 252.230 0.469 20 5 CCBDRN Cc1nnc(NC(=O)c2c[nH]nc2[N+](=O)[O-])n1C ZINC001321286126 911206358 /nfs/dbraw/zinc/20/63/58/911206358.db2.gz COBUAAMCDYBQQH-UHFFFAOYSA-N 0 0 251.206 0.007 20 5 CCBDRN C[C@@H](CO)N(C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001321681001 911443137 /nfs/dbraw/zinc/44/31/37/911443137.db2.gz PIEXNKCNVMTLDF-VIFPVBQESA-N 0 0 295.295 0.050 20 5 CCBDRN CN(CCCCO)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001321794345 911496802 /nfs/dbraw/zinc/49/68/02/911496802.db2.gz OHQLLJUNXVGBBF-UHFFFAOYSA-N 0 0 256.262 0.173 20 5 CCBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCc1cn[nH]c1 ZINC001321962076 911596468 /nfs/dbraw/zinc/59/64/68/911596468.db2.gz QDDNECHCGBJZJF-UHFFFAOYSA-N 0 0 278.224 0.223 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)C1CCOCC1 ZINC001322489291 911829963 /nfs/dbraw/zinc/82/99/63/911829963.db2.gz YRTJGQKBINKGGT-UHFFFAOYSA-N 0 0 297.267 0.481 20 5 CCBDRN C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1nncn1C ZINC001322605543 911876627 /nfs/dbraw/zinc/87/66/27/911876627.db2.gz PGLLGYGJLXSHPU-SSDOTTSWSA-N 0 0 280.244 0.224 20 5 CCBDRN O=[N+]([O-])c1ncccc1N1CC(C2CS(=O)(=O)C2)C1 ZINC001329272544 915785277 /nfs/dbraw/zinc/78/52/77/915785277.db2.gz IYDXQPSXAVOAMO-UHFFFAOYSA-N 0 0 283.309 0.471 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)NCC[C@H]1CCCOC1 ZINC001329522640 915984856 /nfs/dbraw/zinc/98/48/56/915984856.db2.gz RBSMFPNOPOJQMT-SECBINFHSA-N 0 0 283.288 0.119 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCn2cncc2C1 ZINC001330177630 916455406 /nfs/dbraw/zinc/45/54/06/916455406.db2.gz SSQAZCWQYGVMCW-UHFFFAOYSA-N 0 0 276.256 0.181 20 5 CCBDRN O=C([C@H]1CC(=O)N1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331069871 917065892 /nfs/dbraw/zinc/06/58/92/917065892.db2.gz MFWITKOVKHDNHO-LLVKDONJSA-N 0 0 275.264 0.368 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](c2nnc[nH]2)C1 ZINC001332039382 917819021 /nfs/dbraw/zinc/81/90/21/917819021.db2.gz ZADWRBFNFCNHNZ-SSDOTTSWSA-N 0 0 277.240 0.936 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1N1CC[C@@H](n2cncn2)C1 ZINC001333708106 919114592 /nfs/dbraw/zinc/11/45/92/919114592.db2.gz ZNXXIKDOWMEKDH-MRVPVSSYSA-N 0 0 263.261 0.371 20 5 CCBDRN COc1cc([N+](=O)[O-])cnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001334168203 919398041 /nfs/dbraw/zinc/39/80/41/919398041.db2.gz KPYINKZVBZIVOG-VIFPVBQESA-N 0 0 294.267 0.639 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N(CC(F)F)C1CCC1 ZINC001334373202 919530154 /nfs/dbraw/zinc/53/01/54/919530154.db2.gz AZNFTQPMHNEABM-UHFFFAOYSA-N 0 0 289.242 0.833 20 5 CCBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC2(CCO2)CC1 ZINC001334404532 919553943 /nfs/dbraw/zinc/55/39/43/919553943.db2.gz HDYWPXBWIFFISN-UHFFFAOYSA-N 0 0 266.257 0.713 20 5 CCBDRN CCOC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CCO1 ZINC001334938682 919854532 /nfs/dbraw/zinc/85/45/32/919854532.db2.gz 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O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1COCCC1=O ZINC000600390084 361940172 /nfs/dbraw/zinc/94/01/72/361940172.db2.gz MOTRZLWODGXSOW-JTQLQIEISA-N 0 0 278.264 0.612 20 5 CCBDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000600442434 361961998 /nfs/dbraw/zinc/96/19/98/361961998.db2.gz POLALRRVSJMRGE-QHOPCYEYSA-N 0 0 282.300 0.870 20 5 CCBDRN CCOC[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000600408900 361953296 /nfs/dbraw/zinc/95/32/96/361953296.db2.gz DAOUVFBEVGPVNX-SNVBAGLBSA-N 0 0 298.299 0.055 20 5 CCBDRN COC(=O)COCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000600406753 361953406 /nfs/dbraw/zinc/95/34/06/361953406.db2.gz XGOOFCHWMGKFHJ-UHFFFAOYSA-N 0 0 288.281 0.576 20 5 CCBDRN CCOC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000600409609 361953768 /nfs/dbraw/zinc/95/37/68/361953768.db2.gz FJGGFMYVLRUMKS-QMMMGPOBSA-N 0 0 284.272 0.195 20 5 CCBDRN COC(=O)C[C@H](O)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000600468320 361983516 /nfs/dbraw/zinc/98/35/16/361983516.db2.gz 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529469794 /nfs/dbraw/zinc/46/97/94/529469794.db2.gz HOXUWCBLLCOVRL-LURJTMIESA-N 0 0 298.255 0.488 20 5 CCBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC(=O)NC1 ZINC000102643014 349682285 /nfs/dbraw/zinc/68/22/85/349682285.db2.gz BDFOPEYWDULTRT-VIFPVBQESA-N 0 0 277.280 0.912 20 5 CCBDRN CC[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000456248390 529576716 /nfs/dbraw/zinc/57/67/16/529576716.db2.gz MIRQEQVZGSGPTR-SVRRBLITSA-N 0 0 269.257 0.585 20 5 CCBDRN Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)nn1C ZINC000151086833 290655544 /nfs/dbraw/zinc/65/55/44/290655544.db2.gz XIERHHVEJHXVDY-UHFFFAOYSA-N 0 0 264.245 0.472 20 5 CCBDRN CCc1ccnc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000437696706 529630021 /nfs/dbraw/zinc/63/00/21/529630021.db2.gz FSEUPXSAGRXQBO-UHFFFAOYSA-N 0 0 290.283 0.460 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1N[C@H]1CC(C)(C)OC1=O ZINC000269999952 190582486 /nfs/dbraw/zinc/58/24/86/190582486.db2.gz XYMZXCGBDJETKV-LURJTMIESA-N 0 0 254.246 0.834 20 5 CCBDRN O=C(N[C@@H]1CCOC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000600588685 362016472 /nfs/dbraw/zinc/01/64/72/362016472.db2.gz XAYWTHPYOFKZKB-GHMZBOCLSA-N 0 0 266.253 0.474 20 5 CCBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCOC[C@H]1O ZINC000600591278 362017024 /nfs/dbraw/zinc/01/70/24/362017024.db2.gz OAMPDORGZIKSQV-ZYHUDNBSSA-N 0 0 298.270 0.542 20 5 CCBDRN CN(C[C@H]1C[C@@H](O)C1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600611016 362022721 /nfs/dbraw/zinc/02/27/21/362022721.db2.gz PQPMRUGJBSCYNP-OTSSQURYSA-N 0 0 281.268 0.538 20 5 CCBDRN CCOC(=O)C[C@H](O)Cn1c(C)ccc([N+](=O)[O-])c1=O ZINC000600672457 362028806 /nfs/dbraw/zinc/02/88/06/362028806.db2.gz KVDXVABAXZGBII-VIFPVBQESA-N 0 0 284.268 0.379 20 5 CCBDRN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000600579170 362012187 /nfs/dbraw/zinc/01/21/87/362012187.db2.gz KGJZBYQHYWZPHA-OTSSQURYSA-N 0 0 278.268 0.326 20 5 CCBDRN Cc1cccc(C(=O)N[C@@H]2CCOC[C@H]2O)c1[N+](=O)[O-] ZINC000600583523 362014080 /nfs/dbraw/zinc/01/40/80/362014080.db2.gz ADJKIXFWDKXXSS-GHMZBOCLSA-N 0 0 280.280 0.783 20 5 CCBDRN O=C(N[C@@H]1CCN(C2CCC2)C1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000600815105 362068564 /nfs/dbraw/zinc/06/85/64/362068564.db2.gz SOEZTSINCYHSCT-SNVBAGLBSA-N 0 0 292.295 0.806 20 5 CCBDRN O=C(COc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CO2 ZINC000600778132 362059504 /nfs/dbraw/zinc/05/95/04/362059504.db2.gz TYGMPMXOGNTLHL-UWVGGRQHSA-N 0 0 278.264 0.973 20 5 CCBDRN COC[C@@]1(C)CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCO1 ZINC000600807338 362064251 /nfs/dbraw/zinc/06/42/51/362064251.db2.gz HPCRVVCERHMFAP-GFCCVEGCSA-N 0 0 298.299 0.206 20 5 CCBDRN COC[C@]1(C)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000600806710 362064557 /nfs/dbraw/zinc/06/45/57/362064557.db2.gz DXNYXWBXWUNTMV-LBPRGKRZSA-N 0 0 298.299 0.055 20 5 CCBDRN COC[C@@]1(C)CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CCO1 ZINC000600808720 362065919 /nfs/dbraw/zinc/06/59/19/362065919.db2.gz QDHVDPRZYHQVMT-GFCCVEGCSA-N 0 0 298.299 0.504 20 5 CCBDRN O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000600839813 362079021 /nfs/dbraw/zinc/07/90/21/362079021.db2.gz QGNCPNOPDBSNSF-KWQFWETISA-N 0 0 293.279 0.993 20 5 CCBDRN CC[C@H](CCO)CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000152410489 290667901 /nfs/dbraw/zinc/66/79/01/290667901.db2.gz CAAUARZEKIUAHI-MRVPVSSYSA-N 0 0 282.300 0.909 20 5 CCBDRN CO[C@H]1COC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000290416133 197701163 /nfs/dbraw/zinc/70/11/63/197701163.db2.gz MTZYLRHHQDNBJJ-BQBZGAKWSA-N 0 0 272.282 0.800 20 5 CCBDRN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCS(=O)CC1 ZINC000601041535 362140930 /nfs/dbraw/zinc/14/09/30/362140930.db2.gz JJBCTLHCURUYET-UHFFFAOYSA-N 0 0 286.284 0.938 20 5 CCBDRN CCN1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1=O ZINC000601142422 362157201 /nfs/dbraw/zinc/15/72/01/362157201.db2.gz QQXLLAWKRMDRNC-UHFFFAOYSA-N 0 0 268.248 0.797 20 5 CCBDRN CO[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000601151575 362160469 /nfs/dbraw/zinc/16/04/69/362160469.db2.gz CNUAOEDWRYHHCO-AOOOYVTPSA-N 0 0 271.248 0.979 20 5 CCBDRN CN1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1=O ZINC000601122201 362152947 /nfs/dbraw/zinc/15/29/47/362152947.db2.gz UUJTWGGMMWPMII-UHFFFAOYSA-N 0 0 254.221 0.407 20 5 CCBDRN COC[C@]1(CO)CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601171960 362165447 /nfs/dbraw/zinc/16/54/47/362165447.db2.gz SZGRUCMMARXFJT-GFCCVEGCSA-N 0 0 285.275 0.964 20 5 CCBDRN CS(=O)(=O)C1CN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601159228 362162410 /nfs/dbraw/zinc/16/24/10/362162410.db2.gz DVORGSCKAJCBJZ-UHFFFAOYSA-N 0 0 275.261 0.362 20 5 CCBDRN CC1(C)CNC(=O)[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000601198149 362174110 /nfs/dbraw/zinc/17/41/10/362174110.db2.gz OLWCWKKNZBSJHO-VIFPVBQESA-N 0 0 250.258 0.926 20 5 CCBDRN CO[C@](C)(CO)CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601187283 362170768 /nfs/dbraw/zinc/17/07/68/362170768.db2.gz QMUPPOLCLKTGCO-JTQLQIEISA-N 0 0 259.237 0.938 20 5 CCBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@]12CCC[C@H]1OCC2 ZINC000601343544 362235537 /nfs/dbraw/zinc/23/55/37/362235537.db2.gz PQHISLFBVMPTDK-YPMHNXCESA-N 0 0 294.311 0.867 20 5 CCBDRN C[C@H](C(=O)N1C[C@H](O)C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000617742719 365753468 /nfs/dbraw/zinc/75/34/68/365753468.db2.gz UTXOLJCLDNWHSK-TVYUQYBPSA-N 0 0 294.307 0.652 20 5 CCBDRN Cn1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1=O ZINC000114349873 349827417 /nfs/dbraw/zinc/82/74/17/349827417.db2.gz NYHROVWPETZLJA-UHFFFAOYSA-N 0 0 291.267 0.519 20 5 CCBDRN CCOC(=O)COCCNc1c([N+](=O)[O-])c(C)nn1C ZINC000295071327 199329641 /nfs/dbraw/zinc/32/96/41/199329641.db2.gz WMSDXLJPYUTLMJ-UHFFFAOYSA-N 0 0 286.288 0.628 20 5 CCBDRN O=[N+]([O-])c1cnn(CCn2nccc2[N+](=O)[O-])c1 ZINC000128029460 187346591 /nfs/dbraw/zinc/34/65/91/187346591.db2.gz PCRQBTZRMHMBSP-UHFFFAOYSA-N 0 0 252.190 0.596 20 5 CCBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H](O)C(F)F ZINC000295471702 199524552 /nfs/dbraw/zinc/52/45/52/199524552.db2.gz MNMGGTBUGIRKGH-FFWSUHOLSA-N 0 0 278.215 0.452 20 5 CCBDRN CC(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301825320 136441131 /nfs/dbraw/zinc/44/11/31/136441131.db2.gz DOIOZOQSDIMPEK-UHFFFAOYSA-N 0 0 290.283 0.306 20 5 CCBDRN C[C@H](CO)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000305160913 201721664 /nfs/dbraw/zinc/72/16/64/201721664.db2.gz BKERXBHLCHNYEZ-QMMMGPOBSA-N 0 0 270.289 0.271 20 5 CCBDRN CNC(=O)[C@@H](NC(=O)c1[nH]nc(C)c1[N+](=O)[O-])C(C)C ZINC000428135159 529898556 /nfs/dbraw/zinc/89/85/56/529898556.db2.gz CSLAMVWRXOVRER-ZETCQYMHSA-N 0 0 283.288 0.127 20 5 CCBDRN CS(=O)(=O)N[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000116872884 349875502 /nfs/dbraw/zinc/87/55/02/349875502.db2.gz SGLSXGFKGZLQJL-MRVPVSSYSA-N 0 0 286.313 0.118 20 5 CCBDRN Cc1c(NC(=O)C(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000118094322 349898093 /nfs/dbraw/zinc/89/80/93/349898093.db2.gz AYOZJAVTNRHHCT-UHFFFAOYSA-N 0 0 294.311 0.520 20 5 CCBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(C)COC1 ZINC000601504360 362292121 /nfs/dbraw/zinc/29/21/21/362292121.db2.gz FYKYJDKMXYTXLB-UHFFFAOYSA-N 0 0 286.309 0.970 20 5 CCBDRN C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000601519508 362299479 /nfs/dbraw/zinc/29/94/79/362299479.db2.gz BCLSVSVTFIMUAS-RKDXNWHRSA-N 0 0 298.270 0.956 20 5 CCBDRN CNC(=O)[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601640389 362336268 /nfs/dbraw/zinc/33/62/68/362336268.db2.gz MYXJTMALYOMEER-MRVPVSSYSA-N 0 0 295.270 0.942 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(c2ccccc2)C1 ZINC000601703317 362358478 /nfs/dbraw/zinc/35/84/78/362358478.db2.gz ZXCHXFHLDZMSJL-UHFFFAOYSA-N 0 0 287.279 0.812 20 5 CCBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H](CO)C1 ZINC000272380447 231947809 /nfs/dbraw/zinc/94/78/09/231947809.db2.gz VXMDWIGLEMUKCY-MRVPVSSYSA-N 0 0 294.263 0.778 20 5 CCBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@@H]2COC[C@@H]2C1 ZINC000601925345 362428935 /nfs/dbraw/zinc/42/89/35/362428935.db2.gz DEBMATSAYHIGDZ-OCAPTIKFSA-N 0 0 251.242 0.641 20 5 CCBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C)C[C@H]1CO ZINC000601980413 362449773 /nfs/dbraw/zinc/44/97/73/362449773.db2.gz VYPNOZUYITWJRC-JTQLQIEISA-N 0 0 283.332 0.232 20 5 CCBDRN CN1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@H](CO)C1 ZINC000601979461 362449833 /nfs/dbraw/zinc/44/98/33/362449833.db2.gz GUVYSSAMLHVOQR-QMMMGPOBSA-N 0 0 297.340 0.417 20 5 CCBDRN CN(C)C(=O)[C@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000273219589 192077867 /nfs/dbraw/zinc/07/78/67/192077867.db2.gz VAZJAJBLMRLJRE-SECBINFHSA-N 0 0 265.273 0.442 20 5 CCBDRN C[C@@]1(C(N)=O)CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000358367995 232089716 /nfs/dbraw/zinc/08/97/16/232089716.db2.gz VNXLVPSYSHLGRL-GFCCVEGCSA-N 0 0 294.267 0.033 20 5 CCBDRN COC1CC(C(=O)Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000602307597 362582046 /nfs/dbraw/zinc/58/20/46/362582046.db2.gz GGVNBRFOEGNBJV-UHFFFAOYSA-N 0 0 254.246 0.692 20 5 CCBDRN CCCN(CC(=O)OC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602428755 362611220 /nfs/dbraw/zinc/61/12/20/362611220.db2.gz CJGZLJHWNYUWFS-UHFFFAOYSA-N 0 0 270.289 0.713 20 5 CCBDRN 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Cc1nccnc1N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000373021225 144389264 /nfs/dbraw/zinc/38/92/64/144389264.db2.gz HLBWLXSBIGVQPZ-GHMZBOCLSA-N 0 0 291.311 0.099 20 5 CCBDRN C[C@H]1[C@H](CO)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000488749120 397557898 /nfs/dbraw/zinc/55/78/98/397557898.db2.gz RHWMJLRYVOWQJU-IUCAKERBSA-N 0 0 254.290 0.531 20 5 CCBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000545990549 285890029 /nfs/dbraw/zinc/89/00/29/285890029.db2.gz MGETUHQXJCIWMH-GWCFXTLKSA-N 0 0 294.307 0.719 20 5 CCBDRN C[C@@H](C[S@@](C)=O)N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548089464 286004241 /nfs/dbraw/zinc/00/42/41/286004241.db2.gz SXTQJWVKLUHUOE-AHGSNSTDSA-N 0 0 274.302 0.157 20 5 CCBDRN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548091518 286004291 /nfs/dbraw/zinc/00/42/91/286004291.db2.gz AMUQTHWWSPEQLG-HTRCEHHLSA-N 0 0 281.272 0.092 20 5 CCBDRN CCOC1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000294325810 286020267 /nfs/dbraw/zinc/02/02/67/286020267.db2.gz ZRMLSJKFLYEAQC-UHFFFAOYSA-N 0 0 266.257 0.314 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NCCn1ccccc1=O ZINC000548459721 286038732 /nfs/dbraw/zinc/03/87/32/286038732.db2.gz DADFSGMVXICGGT-UHFFFAOYSA-N 0 0 290.279 0.525 20 5 CCBDRN COCCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CC1 ZINC000548944843 286080977 /nfs/dbraw/zinc/08/09/77/286080977.db2.gz OFVJIILYDDWFHJ-UHFFFAOYSA-N 0 0 254.246 0.569 20 5 CCBDRN O=C(N[C@@H](CO)c1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000549188740 286089127 /nfs/dbraw/zinc/08/91/27/286089127.db2.gz GGWGYTTVLBDRPE-JTQLQIEISA-N 0 0 276.252 0.781 20 5 CCBDRN C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C1CCOCC1 ZINC000549223995 286090247 /nfs/dbraw/zinc/09/02/47/286090247.db2.gz RFAWXMHWFDTGDZ-SSDOTTSWSA-N 0 0 268.273 0.863 20 5 CCBDRN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCS1(=O)=O ZINC000552353778 286163824 /nfs/dbraw/zinc/16/38/24/286163824.db2.gz YYTQWFLSDNLLOV-CBAPKCEASA-N 0 0 299.308 0.295 20 5 CCBDRN CNc1nccc(C(=O)N2CCC(O)CC2)c1[N+](=O)[O-] ZINC000552865301 286174681 /nfs/dbraw/zinc/17/46/81/286174681.db2.gz KRFSMXYWXVVZNV-UHFFFAOYSA-N 0 0 280.284 0.050 20 5 CCBDRN CC[C@@H]1CN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CCO1 ZINC000552918086 286175574 /nfs/dbraw/zinc/17/55/74/286175574.db2.gz XQJASAMWIGPCJO-SECBINFHSA-N 0 0 294.311 0.704 20 5 CCBDRN NC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000553005689 286177849 /nfs/dbraw/zinc/17/78/49/286177849.db2.gz XSSWJCVDZUESHD-ZJUUUORDSA-N 0 0 277.280 0.723 20 5 CCBDRN C[C@@H]1C(=O)NCCN1c1ncc([N+](=O)[O-])cc1F ZINC000408472732 287187342 /nfs/dbraw/zinc/18/73/42/287187342.db2.gz WSFUDHILRKPDSN-ZCFIWIBFSA-N 0 0 254.221 0.454 20 5 CCBDRN COC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000005400695 170095043 /nfs/dbraw/zinc/09/50/43/170095043.db2.gz HFDYRAWKEKHADM-UHFFFAOYSA-N 0 0 289.247 0.992 20 5 CCBDRN O=[N+]([O-])c1ccc(N[C@@H]2C=CS(=O)(=O)C2)nc1 ZINC000012734176 170506297 /nfs/dbraw/zinc/50/62/97/170506297.db2.gz DCMIOMYMKDTIFV-SSDOTTSWSA-N 0 0 255.255 0.712 20 5 CCBDRN COc1ccc(C(=O)N(C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000023911589 171428075 /nfs/dbraw/zinc/42/80/75/171428075.db2.gz OKAZFLUHHZRHAN-UHFFFAOYSA-N 0 0 295.295 0.764 20 5 CCBDRN CCCNC(=O)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000035133839 172000180 /nfs/dbraw/zinc/00/01/80/172000180.db2.gz WIBCEFSRYPLVBE-UHFFFAOYSA-N 0 0 280.284 0.632 20 5 CCBDRN COC(=O)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000035178297 172031216 /nfs/dbraw/zinc/03/12/16/172031216.db2.gz QMXKFIDXBDTBSM-VIFPVBQESA-N 0 0 281.268 0.711 20 5 CCBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCO ZINC000035201404 172045994 /nfs/dbraw/zinc/04/59/94/172045994.db2.gz FZZPGWBLGYMKJM-UHFFFAOYSA-N 0 0 254.242 0.716 20 5 CCBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CO ZINC000035204254 172048166 /nfs/dbraw/zinc/04/81/66/172048166.db2.gz XPKUPFRINJIURR-SSDOTTSWSA-N 0 0 254.242 0.714 20 5 CCBDRN O=C(CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1)NC1CC1 ZINC000285188805 196216710 /nfs/dbraw/zinc/21/67/10/196216710.db2.gz RVCFLXQHFVWOPH-UHFFFAOYSA-N 0 0 281.272 0.107 20 5 CCBDRN Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285320398 196249826 /nfs/dbraw/zinc/24/98/26/196249826.db2.gz XHHXVMFRXJEEJF-QMMMGPOBSA-N 0 0 290.283 0.859 20 5 CCBDRN CC[C@@H](CO)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000035610371 172296274 /nfs/dbraw/zinc/29/62/74/172296274.db2.gz MOGIASRGQLSQKX-JTQLQIEISA-N 0 0 288.325 0.785 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCCC1(O)CCC1 ZINC000285647201 196354409 /nfs/dbraw/zinc/35/44/09/196354409.db2.gz HDPMOKIUOBCKIT-UHFFFAOYSA-N 0 0 268.273 0.213 20 5 CCBDRN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285705641 196373199 /nfs/dbraw/zinc/37/31/99/196373199.db2.gz DIZLJNLMVWKADC-APPZFPTMSA-N 0 0 268.273 0.693 20 5 CCBDRN CS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037750715 173673806 /nfs/dbraw/zinc/67/38/06/173673806.db2.gz WRIPNNRNISSDQH-UHFFFAOYSA-N 0 0 290.272 0.508 20 5 CCBDRN COC(=O)[C@H](C)CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000042695799 174843708 /nfs/dbraw/zinc/84/37/08/174843708.db2.gz PDLYVZYFHBAPHM-SSDOTTSWSA-N 0 0 269.257 0.804 20 5 CCBDRN COC(=O)[C@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000043637307 175083725 /nfs/dbraw/zinc/08/37/25/175083725.db2.gz UCZKCWMKVRPQHZ-ZETCQYMHSA-N 0 0 273.266 0.930 20 5 CCBDRN COC[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000071265056 176098755 /nfs/dbraw/zinc/09/87/55/176098755.db2.gz JXHHUBMKIYWWMH-MRVPVSSYSA-N 0 0 272.232 0.471 20 5 CCBDRN COC[C@@H](O)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000071266214 176100106 /nfs/dbraw/zinc/10/01/06/176100106.db2.gz VKUALGPUOYMWGD-VIFPVBQESA-N 0 0 284.268 0.097 20 5 CCBDRN COC[C@H](O)CNc1nc2sccn2c1[N+](=O)[O-] ZINC000071271449 176104223 /nfs/dbraw/zinc/10/42/23/176104223.db2.gz UGQYGIQXTBKYRZ-ZCFIWIBFSA-N 0 0 272.286 0.723 20 5 CCBDRN COCCNC(=O)CNc1ccc([N+](=O)[O-])cc1 ZINC000072604196 176416839 /nfs/dbraw/zinc/41/68/39/176416839.db2.gz AZILRESXRIEVEZ-UHFFFAOYSA-N 0 0 253.258 0.769 20 5 CCBDRN CNc1nccc(C(=O)N2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000600378237 420492349 /nfs/dbraw/zinc/49/23/49/420492349.db2.gz HUCDBKFAOFXATR-QMMMGPOBSA-N 0 0 293.283 0.121 20 5 CCBDRN CN1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1=O ZINC000618678291 420498140 /nfs/dbraw/zinc/49/81/40/420498140.db2.gz XVPYUJQSPNANPL-SSDOTTSWSA-N 0 0 276.256 0.280 20 5 CCBDRN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)N1CCCCC1 ZINC000179549852 260054672 /nfs/dbraw/zinc/05/46/72/260054672.db2.gz FIELDKLLNGBEOW-MRVPVSSYSA-N 0 0 295.299 0.449 20 5 CCBDRN C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000497215081 262108512 /nfs/dbraw/zinc/10/85/12/262108512.db2.gz PSCRWINLWJZBRT-WRWORJQWSA-N 0 0 291.263 0.981 20 5 CCBDRN NC(=O)c1cccc([N+](=O)[O-])c1N1CCn2nncc2C1 ZINC000518999460 265291029 /nfs/dbraw/zinc/29/10/29/265291029.db2.gz BWHBDAFSRDKTPR-UHFFFAOYSA-N 0 0 288.267 0.305 20 5 CCBDRN Cc1noc(CNC(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC000519110847 265323496 /nfs/dbraw/zinc/32/34/96/265323496.db2.gz XPYBLEWOYFGZGW-UHFFFAOYSA-N 0 0 265.229 0.555 20 5 CCBDRN O=C1NCC[C@@H]1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245708303 275023717 /nfs/dbraw/zinc/02/37/17/275023717.db2.gz YPYXKVGIKCYHDE-KOLCDFICSA-N 0 0 291.311 0.365 20 5 CCBDRN CCC[C@H]1C(=O)NCCN1c1ncc([N+](=O)[O-])cn1 ZINC000273695604 276046991 /nfs/dbraw/zinc/04/69/91/276046991.db2.gz BZDPISGKWYBMRD-VIFPVBQESA-N 0 0 265.273 0.490 20 5 CCBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000407947899 276127766 /nfs/dbraw/zinc/12/77/66/276127766.db2.gz CTFLGRTVUSMFSP-UHFFFAOYSA-N 0 0 254.246 0.569 20 5 CCBDRN CN1CCO[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000081421993 277126648 /nfs/dbraw/zinc/12/66/48/277126648.db2.gz GTIWTBYOFMLUIN-ZDUSSCGKSA-N 0 0 291.307 0.815 20 5 CCBDRN CO[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1OC ZINC000336953250 277300924 /nfs/dbraw/zinc/30/09/24/277300924.db2.gz SHYRKOXJMVGAGJ-RNFRBKRXSA-N 0 0 259.287 0.901 20 5 CCBDRN CC(C)[C@H](CO)CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000478988844 277898957 /nfs/dbraw/zinc/89/89/57/277898957.db2.gz JSFMOJRTEZVGND-VIFPVBQESA-N 0 0 282.300 0.798 20 5 CCBDRN Cc1cc([N+](=O)[O-])cnc1N1CCn2nncc2C1 ZINC000518562468 278748042 /nfs/dbraw/zinc/74/80/42/278748042.db2.gz JDILYKFHUZIXHN-UHFFFAOYSA-N 0 0 260.257 0.910 20 5 CCBDRN C[C@@H]1[C@H](CO)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000362678821 279111228 /nfs/dbraw/zinc/11/12/28/279111228.db2.gz ACPSGXLNWYOKQV-RQJHMYQMSA-N 0 0 253.262 0.004 20 5 CCBDRN Nc1nc(N2CCOC3(CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000133584038 279707892 /nfs/dbraw/zinc/70/78/92/279707892.db2.gz IKQDLOSFJBTLSV-UHFFFAOYSA-N 0 0 295.299 0.353 20 5 CCBDRN C[C@H]1OCCN2[C@H](c3ccccc3[N+](=O)[O-])NC(=O)[C@H]12 ZINC000284964429 280057262 /nfs/dbraw/zinc/05/72/62/280057262.db2.gz FAHIFFPLXJSPQL-JFUSQASVSA-N 0 0 277.280 0.813 20 5 CCBDRN O=C1C[C@H]2CC[C@@H](CN1)N2c1ncc([N+](=O)[O-])cn1 ZINC000354584754 280274771 /nfs/dbraw/zinc/27/47/71/280274771.db2.gz XDBNCPXHRFEJGW-SFYZADRCSA-N 0 0 263.257 0.242 20 5 CCBDRN O=C1OC[C@H]2CN(c3ccc([N+](=O)[O-])nc3)CCN12 ZINC000496213199 280309903 /nfs/dbraw/zinc/30/99/03/280309903.db2.gz CBMSXQWBNKGCAY-SECBINFHSA-N 0 0 264.241 0.631 20 5 CCBDRN O=[N+]([O-])c1ccc2c(c1)CN([C@H]1COC[C@H]1O)CC2 ZINC000361313302 280370245 /nfs/dbraw/zinc/37/02/45/280370245.db2.gz IVUABBUJJMMVDL-QWHCGFSZSA-N 0 0 264.281 0.713 20 5 CCBDRN O=[N+]([O-])c1ccsc1N1CC[C@@H](CO)[C@H](O)C1 ZINC000302686036 280377449 /nfs/dbraw/zinc/37/74/49/280377449.db2.gz AILSOTZIBQRZBC-IONNQARKSA-N 0 0 258.299 0.836 20 5 CCBDRN O=[N+]([O-])c1cnc(N2CCN(CC(F)F)CC2)nc1 ZINC000273159594 280380068 /nfs/dbraw/zinc/38/00/68/280380068.db2.gz KDWNTVBGSFPNDS-UHFFFAOYSA-N 0 0 273.243 0.772 20 5 CCBDRN Cc1cc(N2CC(=O)N(C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000184293102 280541374 /nfs/dbraw/zinc/54/13/74/280541374.db2.gz ZCISSRKBCOKNJU-UHFFFAOYSA-N 0 0 263.253 0.708 20 5 CCBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[S@]1=O ZINC000352255323 288263202 /nfs/dbraw/zinc/26/32/02/288263202.db2.gz FAJMBMZHVOAOPR-RBHXEPJQSA-N 0 0 255.299 0.947 20 5 CCBDRN Cc1ccc([N+](=O)[O-])c(N2CCN[C@@H](C(N)=O)C2)c1 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CEZGRDPCPONPDG-KYZUINATSA-N 0 0 279.300 0.510 20 5 CCBDRN Cc1ccc(C(=O)N2CCC(O)(CO)CC2)cc1[N+](=O)[O-] ZINC000313599139 354215802 /nfs/dbraw/zinc/21/58/02/354215802.db2.gz IXXWVDNCSHCTDR-UHFFFAOYSA-N 0 0 294.307 0.863 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)NCC1CCCC1 ZINC000330386523 354339030 /nfs/dbraw/zinc/33/90/30/354339030.db2.gz ADJBAFHWSSCKQJ-UHFFFAOYSA-N 0 0 253.262 0.493 20 5 CCBDRN CN(C[C@@H]1CCCO1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000330507935 354385443 /nfs/dbraw/zinc/38/54/43/354385443.db2.gz BQBHCMSQNNTDKP-JTQLQIEISA-N 0 0 268.273 0.429 20 5 CCBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[S@](=O)C1 ZINC000531886729 358487010 /nfs/dbraw/zinc/48/70/10/358487010.db2.gz LIBMBLHHEPPLII-SBKAZYGRSA-N 0 0 297.336 0.915 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1CN1CCC(CO)CC1 ZINC000331062720 354434199 /nfs/dbraw/zinc/43/41/99/354434199.db2.gz OMXVYZJBUJCYMS-UHFFFAOYSA-N 0 0 254.290 0.533 20 5 CCBDRN CC(C)(C(=O)N[C@@H]1C=C[C@H](CO)C1)n1cc([N+](=O)[O-])cn1 ZINC000330548104 354406488 /nfs/dbraw/zinc/40/64/88/354406488.db2.gz VTJZNBZQPGJNCV-VHSXEESVSA-N 0 0 294.311 0.580 20 5 CCBDRN COC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000330556827 354410956 /nfs/dbraw/zinc/41/09/56/354410956.db2.gz ZRYQVIWVVNHUAD-GFCCVEGCSA-N 0 0 298.343 0.917 20 5 CCBDRN CC[C@@H]1CO[C@@H](C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330577828 354422794 /nfs/dbraw/zinc/42/27/94/354422794.db2.gz NNUJSSMKJMRYTJ-DTWKUNHWSA-N 0 0 283.288 0.212 20 5 CCBDRN Cc1cn(C[C@@H](O)COC2CCOCC2)nc1[N+](=O)[O-] ZINC000331133972 354461536 /nfs/dbraw/zinc/46/15/36/354461536.db2.gz PQEZOHJEHBEMEX-SNVBAGLBSA-N 0 0 285.300 0.656 20 5 CCBDRN Cc1c(CNC(=O)[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000331157163 354470670 /nfs/dbraw/zinc/47/06/70/354470670.db2.gz ZBPQNXOYDZAKHX-GFCCVEGCSA-N 0 0 280.280 0.935 20 5 CCBDRN O=C(N[C@]1(CCO)CCOC1)c1ccc([N+](=O)[O-])s1 ZINC000331341627 354542737 /nfs/dbraw/zinc/54/27/37/354542737.db2.gz NTWIGXVYBLRYDB-LLVKDONJSA-N 0 0 286.309 0.928 20 5 CCBDRN CC[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H](C)O ZINC000331348380 354545552 /nfs/dbraw/zinc/54/55/52/354545552.db2.gz MYEQLICSBOFBDI-SCZZXKLOSA-N 0 0 284.316 0.802 20 5 CCBDRN CC(=O)N1CC(NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000332500190 354688478 /nfs/dbraw/zinc/68/84/78/354688478.db2.gz ZCWFEUAGQVFQJU-UHFFFAOYSA-N 0 0 277.280 0.864 20 5 CCBDRN CCCc1n[nH]c(C(=O)N2CC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000332665134 354715502 /nfs/dbraw/zinc/71/55/02/354715502.db2.gz GVLYHFYWOOLOGB-UHFFFAOYSA-N 0 0 281.272 0.142 20 5 CCBDRN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000171253171 188724853 /nfs/dbraw/zinc/72/48/53/188724853.db2.gz DYUBBPHZVSNZFH-SNVBAGLBSA-N 0 0 282.300 0.819 20 5 CCBDRN CN(CCC(N)=O)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000557718079 291043345 /nfs/dbraw/zinc/04/33/45/291043345.db2.gz UFLDEFSRPZYALG-UHFFFAOYSA-N 0 0 295.251 0.271 20 5 CCBDRN CS(=O)(=O)CCCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000424103784 235153146 /nfs/dbraw/zinc/15/31/46/235153146.db2.gz FSUCFXJWILMNFX-UHFFFAOYSA-N 0 0 289.313 0.478 20 5 CCBDRN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)OC ZINC000336807215 355183304 /nfs/dbraw/zinc/18/33/04/355183304.db2.gz HFWGDCQMHDDSRD-ZETCQYMHSA-N 0 0 269.257 0.615 20 5 CCBDRN CC(C)N(CC(N)=O)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172946902 188835118 /nfs/dbraw/zinc/83/51/18/188835118.db2.gz OOLAEZOXNPDQQT-UHFFFAOYSA-N 0 0 279.296 0.860 20 5 CCBDRN Cc1ccnc(NCC(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC000271817548 191343977 /nfs/dbraw/zinc/34/39/77/191343977.db2.gz CFJFFJBBRMISCX-UHFFFAOYSA-N 0 0 280.284 0.569 20 5 CCBDRN CC(C)NC(=O)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000338605566 355377447 /nfs/dbraw/zinc/37/74/47/355377447.db2.gz ZBSLMBKEJYHABH-UHFFFAOYSA-N 0 0 297.315 0.167 20 5 CCBDRN C[C@@H]1CCC[C@]1(O)CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000338811398 355425474 /nfs/dbraw/zinc/42/54/74/355425474.db2.gz QIHPVUMZIRZTIV-HQJQHLMTSA-N 0 0 267.289 0.760 20 5 CCBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1nncn1C ZINC000339011290 355469847 /nfs/dbraw/zinc/46/98/47/355469847.db2.gz ONXMVCOKSVRMSK-SSDOTTSWSA-N 0 0 278.272 0.553 20 5 CCBDRN O=[N+]([O-])c1cnc(N2CC(O)(C(F)F)C2)c(F)c1 ZINC000425271055 235279029 /nfs/dbraw/zinc/27/90/29/235279029.db2.gz BWPVQFGXGPVVOA-UHFFFAOYSA-N 0 0 263.175 0.945 20 5 CCBDRN CC[C@H](C[C@H](C)CO)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000340288420 355549853 /nfs/dbraw/zinc/54/98/53/355549853.db2.gz ZBNROBACMYZFBZ-VHSXEESVSA-N 0 0 284.316 0.705 20 5 CCBDRN C[C@H](CC(N)=O)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340300918 355553807 /nfs/dbraw/zinc/55/38/07/355553807.db2.gz LBMVFYDPVATCCN-SECBINFHSA-N 0 0 294.311 0.700 20 5 CCBDRN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000340482561 355560160 /nfs/dbraw/zinc/56/01/60/355560160.db2.gz BRLNUUKCEVEWHI-NSHDSACASA-N 0 0 277.280 0.484 20 5 CCBDRN CN(C[C@H](O)CO)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000272361027 191677329 /nfs/dbraw/zinc/67/73/29/191677329.db2.gz NJORQBQXIUKQMU-VIFPVBQESA-N 0 0 277.280 0.932 20 5 CCBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425486378 235301189 /nfs/dbraw/zinc/30/11/89/235301189.db2.gz YTYCAHDEOLMNTA-ILWJIGKKSA-N 0 0 279.300 0.889 20 5 CCBDRN CC(C)C(=O)NCCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341359797 355659282 /nfs/dbraw/zinc/65/92/82/355659282.db2.gz SFJHXIJYCCTIDE-UHFFFAOYSA-N 0 0 294.311 0.878 20 5 CCBDRN O=[N+]([O-])c1cnn(Cc2nc([C@@H]3CCOC3)no2)c1 ZINC000341361020 355659624 /nfs/dbraw/zinc/65/96/24/355659624.db2.gz HDTPLQSQBJYKCX-SSDOTTSWSA-N 0 0 265.229 0.727 20 5 CCBDRN CO[C@H]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000341591609 355700402 /nfs/dbraw/zinc/70/04/02/355700402.db2.gz COOKVOZWCMZNQJ-KOLCDFICSA-N 0 0 282.300 0.723 20 5 CCBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H]2COCC[C@H]21 ZINC000558756089 291072112 /nfs/dbraw/zinc/07/21/12/291072112.db2.gz UYLXJIWIGWWUIX-WCBMZHEXSA-N 0 0 280.284 0.959 20 5 CCBDRN C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1cn[nH]c1 ZINC000558754067 291072123 /nfs/dbraw/zinc/07/21/23/291072123.db2.gz KHRCKPSOKOXILY-RXMQYKEDSA-N 0 0 250.218 0.532 20 5 CCBDRN CC[C@@H]1CN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1O ZINC000342755794 355738947 /nfs/dbraw/zinc/73/89/47/355738947.db2.gz RAPQHGGTQDFOTJ-LDYMZIIASA-N 0 0 295.295 0.984 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(OC)CCOC2)n1 ZINC000427390421 235362487 /nfs/dbraw/zinc/36/24/87/235362487.db2.gz JNXMWCGBTQNYLG-LBPRGKRZSA-N 0 0 298.299 0.347 20 5 CCBDRN CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000343624759 355776518 /nfs/dbraw/zinc/77/65/18/355776518.db2.gz HUJIPFQIGXDUPK-RQJHMYQMSA-N 0 0 284.297 0.500 20 5 CCBDRN CN1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1=O ZINC000272656703 191850528 /nfs/dbraw/zinc/85/05/28/191850528.db2.gz NXAXZHFXSSOPTO-QMMMGPOBSA-N 0 0 278.268 0.138 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)C(=O)NC)n1 ZINC000427405604 235362700 /nfs/dbraw/zinc/36/27/00/235362700.db2.gz RHFFENPWTMACMF-UHFFFAOYSA-N 0 0 297.315 0.313 20 5 CCBDRN O=C(NC[C@@H]1CCCC(=O)N1)c1ccc([N+](=O)[O-])[nH]1 ZINC000345518582 355843075 /nfs/dbraw/zinc/84/30/75/355843075.db2.gz DNINIHWEBIPBPC-ZETCQYMHSA-N 0 0 266.257 0.321 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)NCC2(C(N)=O)CCCC2)n1 ZINC000345458935 355830959 /nfs/dbraw/zinc/83/09/59/355830959.db2.gz YQNBCQZLLIXNSY-UHFFFAOYSA-N 0 0 295.299 0.104 20 5 CCBDRN O=C(CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)N1CCCC1 ZINC000348293370 355906434 /nfs/dbraw/zinc/90/64/34/355906434.db2.gz KOYFIPACECOTEA-UHFFFAOYSA-N 0 0 294.267 0.048 20 5 CCBDRN Cc1cc(=O)n(CCN2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000378523448 137811127 /nfs/dbraw/zinc/81/11/27/137811127.db2.gz NZKRWWILBRDPMZ-TXEJJXNPSA-N 0 0 293.323 0.928 20 5 CCBDRN O=C(N[C@H]1C=C[C@H](CO)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000359485999 137952268 /nfs/dbraw/zinc/95/22/68/137952268.db2.gz UCYNLMYFZJCKBI-YUMQZZPRSA-N 0 0 279.252 0.362 20 5 CCBDRN CN1C(=O)CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1=O ZINC000559274295 291080041 /nfs/dbraw/zinc/08/00/41/291080041.db2.gz APZHNFVPLQSMPK-UHFFFAOYSA-N 0 0 295.226 0.175 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CC1CCC1 ZINC000359343318 137947037 /nfs/dbraw/zinc/94/70/37/137947037.db2.gz OSTQQLWJGZNCFD-SECBINFHSA-N 0 0 282.300 0.609 20 5 CCBDRN Cn1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1=O ZINC000352976167 356124326 /nfs/dbraw/zinc/12/43/26/356124326.db2.gz XYZCNNONDRYVRB-UHFFFAOYSA-N 0 0 263.213 0.269 20 5 CCBDRN Cc1n[nH]c(C(=O)N[C@@H]2CCCCNC2=O)c1[N+](=O)[O-] ZINC000352758043 356072785 /nfs/dbraw/zinc/07/27/85/356072785.db2.gz MEDVDXGIIYGYLT-SSDOTTSWSA-N 0 0 281.272 0.025 20 5 CCBDRN CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000352813302 356087071 /nfs/dbraw/zinc/08/70/71/356087071.db2.gz AZGGMIRXMVBWRV-NEPJUHHUSA-N 0 0 270.260 0.925 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](O)C12CCCC2 ZINC000353078208 356152971 /nfs/dbraw/zinc/15/29/71/356152971.db2.gz OSPQTBKHHBDUKU-JTQLQIEISA-N 0 0 294.311 0.848 20 5 CCBDRN C[C@H](O)CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000559483176 291084271 /nfs/dbraw/zinc/08/42/71/291084271.db2.gz VRTVSDHHVQIRRL-QMMMGPOBSA-N 0 0 289.313 0.429 20 5 CCBDRN Nc1noc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000359742214 137962993 /nfs/dbraw/zinc/96/29/93/137962993.db2.gz IQKWQSVWGKJCJI-UHFFFAOYSA-N 0 0 291.267 0.292 20 5 CCBDRN CCO[C@H]1COCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000353228060 356183149 /nfs/dbraw/zinc/18/31/49/356183149.db2.gz PTZWKXFYWUTRCT-MNOVXSKESA-N 0 0 298.299 0.102 20 5 CCBDRN CN1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1=O ZINC000413155732 283143657 /nfs/dbraw/zinc/14/36/57/283143657.db2.gz QLXAFIJVRZYHMK-QMMMGPOBSA-N 0 0 254.221 0.772 20 5 CCBDRN CC(=O)N(C)CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360525413 137998665 /nfs/dbraw/zinc/99/86/65/137998665.db2.gz AQBYDIZZJKILSB-UHFFFAOYSA-N 0 0 279.296 0.998 20 5 CCBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)n(C)n1 ZINC000360540119 137999274 /nfs/dbraw/zinc/99/92/74/137999274.db2.gz LBCRKVMZYWLYHY-UHFFFAOYSA-N 0 0 264.245 0.623 20 5 CCBDRN CCOC(=O)[C@H](CO)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000360611058 138003086 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CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)OC)C2CC2)n1 ZINC000427360217 235360757 /nfs/dbraw/zinc/36/07/57/235360757.db2.gz YFTLFJPYTJRTQF-SECBINFHSA-N 0 0 296.283 0.493 20 5 CCBDRN C[C@H](C[S@@](C)=O)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342847801 355758401 /nfs/dbraw/zinc/75/84/01/355758401.db2.gz HISACWFMGUCADQ-QOLSBQFWSA-N 0 0 285.325 0.873 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cn2ccnc2)n1 ZINC000427531852 235369833 /nfs/dbraw/zinc/36/98/33/235369833.db2.gz UOJVBUAXYTXFJU-SECBINFHSA-N 0 0 292.299 0.826 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C2CC2)n1 ZINC000427632832 235373739 /nfs/dbraw/zinc/37/37/39/235373739.db2.gz GHJPSMSVCCTRCR-SECBINFHSA-N 0 0 268.273 0.312 20 5 CCBDRN COC[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)OC ZINC000272675895 191859723 /nfs/dbraw/zinc/85/97/23/191859723.db2.gz JVIICOPZFOGAGZ-NSHDSACASA-N 0 0 268.269 0.986 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[C@H](C)O)n1 ZINC000427853601 235384004 /nfs/dbraw/zinc/38/40/04/235384004.db2.gz PTOLUDSEDAXDGY-BDAKNGLRSA-N 0 0 284.316 0.948 20 5 CCBDRN C[C@H]1OCC[C@@]1(C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000345528803 355844189 /nfs/dbraw/zinc/84/41/89/355844189.db2.gz BGUVDOYMJDUBPA-LHLIQPBNSA-N 0 0 254.246 0.615 20 5 CCBDRN Cn1ncnc1Sc1ncc([N+](=O)[O-])c(N)n1 ZINC000427986292 235389098 /nfs/dbraw/zinc/38/90/98/235389098.db2.gz YYQIOJZROKLRJX-UHFFFAOYSA-N 0 0 253.247 0.077 20 5 CCBDRN O=C1N[C@@H](c2ccc([N+](=O)[O-])s2)N2CCOC[C@@H]12 ZINC000272731953 191887326 /nfs/dbraw/zinc/88/73/26/191887326.db2.gz CSZIUUNDFZGLFP-IMTBSYHQSA-N 0 0 269.282 0.486 20 5 CCBDRN CCc1n[nH]c(C(=O)N[C@@H](C)Cn2cncn2)c1[N+](=O)[O-] ZINC000345573664 355855499 /nfs/dbraw/zinc/85/54/99/355855499.db2.gz WHNDUXAYTCUSGA-ZETCQYMHSA-N 0 0 293.287 0.290 20 5 CCBDRN Cn1c(C(=O)NC(C)(C)CC(N)=O)ccc1[N+](=O)[O-] ZINC000348417537 355926755 /nfs/dbraw/zinc/92/67/55/355926755.db2.gz ILQCFTPRGTWEDR-UHFFFAOYSA-N 0 0 268.273 0.317 20 5 CCBDRN CN(C)C(=O)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347399975 355879081 /nfs/dbraw/zinc/87/90/81/355879081.db2.gz MZTKNCALPTWWRK-UHFFFAOYSA-N 0 0 289.295 0.850 20 5 CCBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(NC(N)=O)CC1 ZINC000347816158 355882927 /nfs/dbraw/zinc/88/29/27/355882927.db2.gz WIRVMLBDZSLMEZ-UHFFFAOYSA-N 0 0 292.295 0.754 20 5 CCBDRN Cn1nnnc1CN1CCc2ccc([N+](=O)[O-])cc21 ZINC000348259910 355898194 /nfs/dbraw/zinc/89/81/94/355898194.db2.gz HHBUNASAMQYWGG-UHFFFAOYSA-N 0 0 260.257 0.681 20 5 CCBDRN CC(C)OC(=O)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000348654616 355960389 /nfs/dbraw/zinc/96/03/89/355960389.db2.gz NVHWUPMYDJLRBS-UHFFFAOYSA-N 0 0 270.245 0.389 20 5 CCBDRN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000352820136 356090057 /nfs/dbraw/zinc/09/00/57/356090057.db2.gz YGFNVORJEHZTQU-NEPJUHHUSA-N 0 0 295.295 0.225 20 5 CCBDRN Nc1c(C(=O)NN2CCCNC2=O)cccc1[N+](=O)[O-] ZINC000273002461 192013754 /nfs/dbraw/zinc/01/37/54/192013754.db2.gz ZTGQDJDTVZSIEB-UHFFFAOYSA-N 0 0 279.256 0.237 20 5 CCBDRN CSC[C@@H](CCO)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360752216 138009525 /nfs/dbraw/zinc/00/95/25/138009525.db2.gz DTXAHWJKRHBTTC-SSDOTTSWSA-N 0 0 288.329 0.172 20 5 CCBDRN CCC(CC)[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360754218 138009542 /nfs/dbraw/zinc/00/95/42/138009542.db2.gz LCMQHBGLAHYJNQ-JTQLQIEISA-N 0 0 284.316 0.855 20 5 CCBDRN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1CO ZINC000360841392 138013158 /nfs/dbraw/zinc/01/31/58/138013158.db2.gz RPAUXRGFNHZLSK-DTWKUNHWSA-N 0 0 279.296 0.877 20 5 CCBDRN C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1CO ZINC000360849826 138013349 /nfs/dbraw/zinc/01/33/49/138013349.db2.gz AQWPWGUECQSJTQ-JGVFFNPUSA-N 0 0 268.273 0.029 20 5 CCBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@H](CO)C1 ZINC000360861056 138013975 /nfs/dbraw/zinc/01/39/75/138013975.db2.gz ZRKNILLNSRRFIG-WPRPVWTQSA-N 0 0 279.296 0.999 20 5 CCBDRN CCn1ncnc1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000360928504 138016486 /nfs/dbraw/zinc/01/64/86/138016486.db2.gz BJMXPXNBNVWKBQ-UHFFFAOYSA-N 0 0 292.255 0.237 20 5 CCBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCn1ncnn1 ZINC000361303482 138028240 /nfs/dbraw/zinc/02/82/40/138028240.db2.gz DBZATOLHLXGGJU-UHFFFAOYSA-N 0 0 291.271 0.711 20 5 CCBDRN O=c1c(-n2ccc([N+](=O)[O-])n2)nccn1C(F)F ZINC000360969628 138017116 /nfs/dbraw/zinc/01/71/16/138017116.db2.gz ILZPDERZBBVGPA-UHFFFAOYSA-N 0 0 257.156 0.732 20 5 CCBDRN CCN(C)C(=O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000360971058 138017321 /nfs/dbraw/zinc/01/73/21/138017321.db2.gz PVWCKEJMSSOSGA-UHFFFAOYSA-N 0 0 297.286 0.871 20 5 CCBDRN C[C@@H](CC(N)=O)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000361035653 138019578 /nfs/dbraw/zinc/01/95/78/138019578.db2.gz BYWWMUKIGLRPCD-QMMMGPOBSA-N 0 0 280.284 0.387 20 5 CCBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC(N)=O)c1 ZINC000361054576 138020188 /nfs/dbraw/zinc/02/01/88/138020188.db2.gz PXXYSGQSTSHSKK-MRVPVSSYSA-N 0 0 265.269 0.897 20 5 CCBDRN CNc1c(C(=O)N(C)CC(=O)OC)cccc1[N+](=O)[O-] ZINC000361147608 138023040 /nfs/dbraw/zinc/02/30/40/138023040.db2.gz UHRNNWUUYQJVHK-UHFFFAOYSA-N 0 0 281.268 0.882 20 5 CCBDRN CC(=O)N1CCC[C@@H]1C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000362192997 138050343 /nfs/dbraw/zinc/05/03/43/138050343.db2.gz XQBGICMHPPMNSN-LLVKDONJSA-N 0 0 292.295 0.964 20 5 CCBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CNC(=O)C1 ZINC000354144161 356353050 /nfs/dbraw/zinc/35/30/50/356353050.db2.gz RGFMCFOFSYAFDK-VIFPVBQESA-N 0 0 263.253 0.142 20 5 CCBDRN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000273578125 192212061 /nfs/dbraw/zinc/21/20/61/192212061.db2.gz YQVQOEFZFRWCIT-BQBZGAKWSA-N 0 0 298.299 0.944 20 5 CCBDRN C[C@H](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)[S@](C)=O ZINC000362150246 138048916 /nfs/dbraw/zinc/04/89/16/138048916.db2.gz OUQPQVVTPFHFSM-MDTSDYNXSA-N 0 0 273.314 0.810 20 5 CCBDRN CCO[C@@H]1COCC[C@@H]1NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000354351784 356396215 /nfs/dbraw/zinc/39/62/15/356396215.db2.gz DUXUEVVWPOWYQX-DTWKUNHWSA-N 0 0 298.299 0.550 20 5 CCBDRN CNC(=O)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354417074 356410209 /nfs/dbraw/zinc/41/02/09/356410209.db2.gz WQBCSOHQMUREQB-UHFFFAOYSA-N 0 0 266.257 0.043 20 5 CCBDRN Cn1nnc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)n1 ZINC000362835834 138076983 /nfs/dbraw/zinc/07/69/83/138076983.db2.gz BCLGZPPNZRLCEY-UHFFFAOYSA-N 0 0 275.272 0.698 20 5 CCBDRN Cn1nnc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)n1 ZINC000362878482 138078647 /nfs/dbraw/zinc/07/86/47/138078647.db2.gz WKKNFJNRGQVSOF-UHFFFAOYSA-N 0 0 295.234 0.579 20 5 CCBDRN COC(=O)C1(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000362896644 138079532 /nfs/dbraw/zinc/07/95/32/138079532.db2.gz QVWWLDPXUKRCCY-UHFFFAOYSA-N 0 0 282.256 0.011 20 5 CCBDRN Nc1nc(NCc2ccn3ccnc3c2)ncc1[N+](=O)[O-] ZINC000354376864 356401582 /nfs/dbraw/zinc/40/15/82/356401582.db2.gz CAORBNZPSPIRQJ-UHFFFAOYSA-N 0 0 285.267 0.479 20 5 CCBDRN C[C@H]1[C@@H](CO)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000362678815 138069469 /nfs/dbraw/zinc/06/94/69/138069469.db2.gz ACPSGXLNWYOKQV-NKWVEPMBSA-N 0 0 253.262 0.004 20 5 CCBDRN O=[N+]([O-])c1cnn(CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000363307181 138089586 /nfs/dbraw/zinc/08/95/86/138089586.db2.gz PLBASFAVWKOJGK-PHIMTYICSA-N 0 0 252.274 0.655 20 5 CCBDRN CCOC(=O)CC[C@@H](O)Cn1nc([N+](=O)[O-])cc1C ZINC000295882423 199704721 /nfs/dbraw/zinc/70/47/21/199704721.db2.gz FXHLDIZPBQMXGQ-SECBINFHSA-N 0 0 271.273 0.804 20 5 CCBDRN Cc1cc(NC(=O)N2C[C@H](O)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000363812814 138093442 /nfs/dbraw/zinc/09/34/42/138093442.db2.gz DOVHIOBFIIZDLU-WDEREUQCSA-N 0 0 295.295 0.863 20 5 CCBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NN1CCOCC1 ZINC000175158828 188936274 /nfs/dbraw/zinc/93/62/74/188936274.db2.gz XLNCKNNNYIZLSS-UHFFFAOYSA-N 0 0 265.269 0.501 20 5 CCBDRN COc1c(C(=O)NCCCC(N)=O)cccc1[N+](=O)[O-] ZINC000354595761 356448618 /nfs/dbraw/zinc/44/86/18/356448618.db2.gz NMMOYVWGCKBURW-UHFFFAOYSA-N 0 0 281.268 0.599 20 5 CCBDRN CC(C)(NC(=O)Cn1cc([N+](=O)[O-])cn1)C(F)F ZINC000619421976 366249114 /nfs/dbraw/zinc/24/91/14/366249114.db2.gz QEXDAMFAXURQGX-UHFFFAOYSA-N 0 0 262.216 0.951 20 5 CCBDRN Cn1c(C(=O)N2CCC[C@@H](O)CC2)ccc1[N+](=O)[O-] ZINC000354987303 356544519 /nfs/dbraw/zinc/54/45/19/356544519.db2.gz ODQFWNTZRUWTHP-SECBINFHSA-N 0 0 267.285 0.920 20 5 CCBDRN CNC(=O)[C@@]1(C)CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000619527877 366274477 /nfs/dbraw/zinc/27/44/77/366274477.db2.gz KBYKMDPHXVWQMS-LBPRGKRZSA-N 0 0 264.285 0.952 20 5 CCBDRN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1cc[nH]c(=O)c1 ZINC000355232537 356614266 /nfs/dbraw/zinc/61/42/66/356614266.db2.gz ZPVHBSMAUQSQAC-QMMMGPOBSA-N 0 0 291.267 0.769 20 5 CCBDRN CC1(C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCCO1 ZINC000609755773 363516226 /nfs/dbraw/zinc/51/62/26/363516226.db2.gz SDNBCXSENONPFU-UHFFFAOYSA-N 0 0 283.288 0.214 20 5 CCBDRN O=C(Cc1ccncc1)NCCn1cc([N+](=O)[O-])cn1 ZINC000355187412 356602931 /nfs/dbraw/zinc/60/29/31/356602931.db2.gz HKOLDBMHFICAEH-UHFFFAOYSA-N 0 0 275.268 0.545 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1cn[nH]c1 ZINC000609619917 363510376 /nfs/dbraw/zinc/51/03/76/363510376.db2.gz BCMSVBPYJHNCIS-UHFFFAOYSA-N 0 0 278.272 0.481 20 5 CCBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[S@]1=O ZINC000610073510 363534873 /nfs/dbraw/zinc/53/48/73/363534873.db2.gz MZDSESBHBOYWII-WPCRTTGESA-N 0 0 285.325 0.526 20 5 CCBDRN C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1cc[nH]c(=O)c1 ZINC000355255470 356620005 /nfs/dbraw/zinc/62/00/05/356620005.db2.gz UJPCHQGOJGYQAC-QMMMGPOBSA-N 0 0 291.267 0.769 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CCCC1(C)C ZINC000355803711 356651727 /nfs/dbraw/zinc/65/17/27/356651727.db2.gz YUINDKIRIPLSFL-ZDUSSCGKSA-N 0 0 296.327 0.999 20 5 CCBDRN Nc1nc(N2CC(C3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000619699423 366324276 /nfs/dbraw/zinc/32/42/76/366324276.db2.gz TYWCISZLTJUJAU-UHFFFAOYSA-N 0 0 279.300 0.660 20 5 CCBDRN Cc1nn(C)c(N2CC[C@H](S(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000619702511 366327611 /nfs/dbraw/zinc/32/76/11/366327611.db2.gz GQACYQKIEDQQKU-QMMMGPOBSA-N 0 0 288.329 0.260 20 5 CCBDRN CCOc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)n1 ZINC000610435101 363558602 /nfs/dbraw/zinc/55/86/02/363558602.db2.gz XWLGGTNEYWJUCG-UHFFFAOYSA-N 0 0 292.255 0.041 20 5 CCBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NCCOC(F)(F)F ZINC000355913438 356669110 /nfs/dbraw/zinc/66/91/10/356669110.db2.gz PDBIYTRNIDVORJ-UHFFFAOYSA-N 0 0 296.205 0.834 20 5 CCBDRN CNC(=O)[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000355992809 356681722 /nfs/dbraw/zinc/68/17/22/356681722.db2.gz MTQCOMRJWLARHK-MRVPVSSYSA-N 0 0 265.269 0.388 20 5 CCBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC(C2CCOCC2)C1 ZINC000619730258 366345750 /nfs/dbraw/zinc/34/57/50/366345750.db2.gz PRUNCLJWDLIMPB-UHFFFAOYSA-N 0 0 280.284 0.817 20 5 CCBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2COC[C@H](C1)O2 ZINC000619747494 366346792 /nfs/dbraw/zinc/34/67/92/366346792.db2.gz VAMKPOXLCJJUSU-PHIMTYICSA-N 0 0 265.269 0.902 20 5 CCBDRN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2COC[C@H](C1)O2 ZINC000619747485 366346950 /nfs/dbraw/zinc/34/69/50/366346950.db2.gz SQICDIIYFLUXMP-AOOOYVTPSA-N 0 0 282.300 0.724 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000619781634 366351496 /nfs/dbraw/zinc/35/14/96/366351496.db2.gz YBVZIAKCIGGDEP-TXEJJXNPSA-N 0 0 278.264 0.835 20 5 CCBDRN O=C(N[C@@H](CO)CC1CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000619790159 366354912 /nfs/dbraw/zinc/35/49/12/366354912.db2.gz LMYZZRFHOANNOA-SSDOTTSWSA-N 0 0 254.246 0.209 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC(C2CCOCC2)C1 ZINC000619730026 366344202 /nfs/dbraw/zinc/34/42/02/366344202.db2.gz PFYXKGNCRSWEFR-UHFFFAOYSA-N 0 0 294.311 0.676 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)c2ccsc2)n1 ZINC000356231845 356728955 /nfs/dbraw/zinc/72/89/55/356728955.db2.gz NMFHNMCQXMWUAJ-MRVPVSSYSA-N 0 0 296.308 0.853 20 5 CCBDRN CN1C(=O)C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000619873270 366366046 /nfs/dbraw/zinc/36/60/46/366366046.db2.gz QXADYLUCEATXEV-MRVPVSSYSA-N 0 0 277.236 0.082 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](CO)c1ccsc1 ZINC000356255540 356733619 /nfs/dbraw/zinc/73/36/19/356733619.db2.gz OCJPETVPZABCQL-QMMMGPOBSA-N 0 0 296.308 0.853 20 5 CCBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(CO)C2)s1 ZINC000356256568 356733784 /nfs/dbraw/zinc/73/37/84/356733784.db2.gz SAVGESCAKNLINK-UHFFFAOYSA-N 0 0 278.311 0.269 20 5 CCBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCC1=O ZINC000356348563 356750355 /nfs/dbraw/zinc/75/03/55/356750355.db2.gz PAWVQLLKTNYADJ-MRVPVSSYSA-N 0 0 265.269 0.984 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCn2cncc2C1 ZINC000359487990 356831388 /nfs/dbraw/zinc/83/13/88/356831388.db2.gz XYWOLVZNQWOBEJ-UHFFFAOYSA-N 0 0 276.256 0.030 20 5 CCBDRN CC[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)OC ZINC000359688334 356871377 /nfs/dbraw/zinc/87/13/77/356871377.db2.gz AYUNEJPBDGYIOT-ZETCQYMHSA-N 0 0 256.262 0.483 20 5 CCBDRN O=C(CNc1ccccc1[N+](=O)[O-])NCc1cn[nH]n1 ZINC000610513540 363570566 /nfs/dbraw/zinc/57/05/66/363570566.db2.gz MUPGGFWHTBZVKI-UHFFFAOYSA-N 0 0 276.256 0.441 20 5 CCBDRN COC(=O)[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])OC ZINC000293926607 198830507 /nfs/dbraw/zinc/83/05/07/198830507.db2.gz HKCLNFKGPUEBKH-NSHDSACASA-N 0 0 296.279 0.821 20 5 CCBDRN O=C(CN1C[C@H](O)C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000364314524 357108208 /nfs/dbraw/zinc/10/82/08/357108208.db2.gz HKHHBDOYJPSVMC-LBPRGKRZSA-N 0 0 291.307 0.990 20 5 CCBDRN O=C(NCc1ccc(-n2ccnc2)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363917744 357070711 /nfs/dbraw/zinc/07/07/11/357070711.db2.gz GKWISDZGEIFVTI-GHMZBOCLSA-N 0 0 287.279 0.549 20 5 CCBDRN O=[N+]([O-])c1cnc(N2CC[C@](O)(C3CC3)C2)nc1 ZINC000365348908 357145492 /nfs/dbraw/zinc/14/54/92/357145492.db2.gz XXVOBUIUZVWTIQ-LLVKDONJSA-N 0 0 250.258 0.736 20 5 CCBDRN COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)OC ZINC000293969919 198851121 /nfs/dbraw/zinc/85/11/21/198851121.db2.gz KHFOZZFDMUFSHV-NSHDSACASA-N 0 0 296.279 0.821 20 5 CCBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H](n2cccn2)C1 ZINC000367860338 357287316 /nfs/dbraw/zinc/28/73/16/357287316.db2.gz SACRJLZKQQWPMS-OPRDCNLKSA-N 0 0 250.258 0.322 20 5 CCBDRN CCOc1cc(N2C[C@H](O)C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000610588213 363582476 /nfs/dbraw/zinc/58/24/76/363582476.db2.gz NHRZGHWRNAWWRI-PHIMTYICSA-N 0 0 282.296 0.925 20 5 CCBDRN Cn1ncc(CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000294105113 198910701 /nfs/dbraw/zinc/91/07/01/198910701.db2.gz ULLNFUOWNWLEDP-UHFFFAOYSA-N 0 0 278.272 0.414 20 5 CCBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@@H](C(N)=O)C1 ZINC000377190448 357549832 /nfs/dbraw/zinc/54/98/32/357549832.db2.gz MTUXBSWTLPAMJB-GFCCVEGCSA-N 0 0 293.279 0.488 20 5 CCBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000574020334 334985263 /nfs/dbraw/zinc/98/52/63/334985263.db2.gz MGULKJXLWXXNOD-JQWIXIFHSA-N 0 0 280.280 0.410 20 5 CCBDRN COC(=O)[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000294171340 198936695 /nfs/dbraw/zinc/93/66/95/198936695.db2.gz WFNRGUATEKPDKN-NSHDSACASA-N 0 0 296.279 0.821 20 5 CCBDRN Cn1c(C(=O)N2CCNC[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000449571461 236038901 /nfs/dbraw/zinc/03/89/01/236038901.db2.gz GDXPILOEIJWICJ-GFCCVEGCSA-N 0 0 284.291 0.707 20 5 CCBDRN CCOC(=O)COCCn1c(C)c([N+](=O)[O-])ccc1=O ZINC000294234904 198963417 /nfs/dbraw/zinc/96/34/17/198963417.db2.gz OPTRRARGVBKXLS-UHFFFAOYSA-N 0 0 284.268 0.645 20 5 CCBDRN NC(=O)C[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000449775048 236050907 /nfs/dbraw/zinc/05/09/07/236050907.db2.gz PXRDYWZENZOLLM-LLVKDONJSA-N 0 0 297.286 0.810 20 5 CCBDRN O=[N+]([O-])c1cc(F)cnc1N1CC[C@H](O)[C@@H](CO)C1 ZINC000400259233 357793038 /nfs/dbraw/zinc/79/30/38/357793038.db2.gz JZHPPCMYVGMINJ-XCBNKYQSSA-N 0 0 271.248 0.308 20 5 CCBDRN CCc1nn(C)c(N2CCC[C@@](CO)(OC)C2)c1[N+](=O)[O-] ZINC000401885555 357806789 /nfs/dbraw/zinc/80/67/89/357806789.db2.gz KKRVPOQZDWYJQS-CYBMUJFWSA-N 0 0 298.343 0.868 20 5 CCBDRN CO[C@]1(CO)CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000401914212 357807368 /nfs/dbraw/zinc/80/73/68/357807368.db2.gz ZHDLBUBQXOKOKM-GFCCVEGCSA-N 0 0 267.285 0.968 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCc2n[nH]cc2C1 ZINC000404708455 357822184 /nfs/dbraw/zinc/82/21/84/357822184.db2.gz CAGSIYKJHYZMPG-UHFFFAOYSA-N 0 0 290.283 0.489 20 5 CCBDRN Cc1nc(N[C@@H](C)C(=O)N2CCOCC2)ncc1[N+](=O)[O-] ZINC000450290554 236078829 /nfs/dbraw/zinc/07/88/29/236078829.db2.gz DPNFRHDQDCVHAR-VIFPVBQESA-N 0 0 295.299 0.352 20 5 CCBDRN Nc1nc(NC[C@H]2CCOC3(CCC3)C2)ncc1[N+](=O)[O-] ZINC000450711697 236107534 /nfs/dbraw/zinc/10/75/34/236107534.db2.gz DFGQSOFUOBJMBM-VIFPVBQESA-N 0 0 293.327 0.980 20 5 CCBDRN CO[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1OC ZINC000450478972 236091263 /nfs/dbraw/zinc/09/12/63/236091263.db2.gz KLDXSTNQHYXNGS-UWVGGRQHSA-N 0 0 268.273 0.543 20 5 CCBDRN CC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000408035629 357877974 /nfs/dbraw/zinc/87/79/74/357877974.db2.gz NDQACYLKDRAKTR-UHFFFAOYSA-N 0 0 294.311 0.628 20 5 CCBDRN Cc1[nH]nc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408072227 357903448 /nfs/dbraw/zinc/90/34/48/357903448.db2.gz RDWWMNBKDATNEI-HTQZYQBOSA-N 0 0 281.316 0.791 20 5 CCBDRN Cc1nn(C)c(C(=O)N2CC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000408131015 357930446 /nfs/dbraw/zinc/93/04/46/357930446.db2.gz XDCRALIRWMPBLA-NSHDSACASA-N 0 0 268.273 0.234 20 5 CCBDRN C[C@H]1CCC[C@@]1(O)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000294487543 199058874 /nfs/dbraw/zinc/05/88/74/199058874.db2.gz XLYGQRUYSIVKHL-JOYOIKCWSA-N 0 0 282.300 0.459 20 5 CCBDRN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2COC[C@H]2O)s1 ZINC000296074145 199774581 /nfs/dbraw/zinc/77/45/81/199774581.db2.gz SAFBENDKRPJHJR-RNFRBKRXSA-N 0 0 282.281 0.771 20 5 CCBDRN CNc1nccc(C(=O)N[C@]2(C)CCOC2)c1[N+](=O)[O-] ZINC000561309894 291126712 /nfs/dbraw/zinc/12/67/12/291126712.db2.gz ZLWHUKUPWQPVPK-GFCCVEGCSA-N 0 0 280.284 0.362 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])s1)N1C[C@H](O)C[C@H](O)C1 ZINC000610669274 363594634 /nfs/dbraw/zinc/59/46/34/363594634.db2.gz QETGURBMJDROPJ-KNVOCYPGSA-N 0 0 272.282 0.224 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCC12CCC2 ZINC000408440646 358095150 /nfs/dbraw/zinc/09/51/50/358095150.db2.gz DXZBIKDDDACNIP-UHFFFAOYSA-N 0 0 265.273 0.731 20 5 CCBDRN CO[C@H]1COCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000456099958 236363668 /nfs/dbraw/zinc/36/36/68/236363668.db2.gz PTIOSGKBXZEODD-WPRPVWTQSA-N 0 0 283.284 0.704 20 5 CCBDRN CNC(=O)[C@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000294681253 199132375 /nfs/dbraw/zinc/13/23/75/199132375.db2.gz PLGFYCUUUXHBEX-VIFPVBQESA-N 0 0 294.311 0.282 20 5 CCBDRN CCNC(=O)CN(C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000610754988 363609147 /nfs/dbraw/zinc/60/91/47/363609147.db2.gz KDZBIDWUSDSOHQ-UHFFFAOYSA-N 0 0 252.274 0.871 20 5 CCBDRN Cc1n[nH]c(C(=O)NCC2(CO)CC2)c1[N+](=O)[O-] ZINC000610767897 363611174 /nfs/dbraw/zinc/61/11/74/363611174.db2.gz AVGYGGLWPWZTAZ-UHFFFAOYSA-N 0 0 254.246 0.129 20 5 CCBDRN CN(C[C@@H](O)C1CC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610774003 363612929 /nfs/dbraw/zinc/61/29/29/363612929.db2.gz FTKPNOXYZWWUAC-LLVKDONJSA-N 0 0 265.269 0.833 20 5 CCBDRN COc1cc(=NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[nH]n1C ZINC000562473449 291154110 /nfs/dbraw/zinc/15/41/10/291154110.db2.gz XSHLTEMUHZLSFQ-UHFFFAOYSA-N 0 0 293.239 0.112 20 5 CCBDRN C[C@H]1CC(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610773470 363612410 /nfs/dbraw/zinc/61/24/10/363612410.db2.gz OYUVUUYDZNSYCM-QMMMGPOBSA-N 0 0 278.268 0.340 20 5 CCBDRN CN1C(=O)CN(C(=O)c2ccc([N+](=O)[O-])s2)CC1=O ZINC000568537378 358685697 /nfs/dbraw/zinc/68/56/97/358685697.db2.gz OWUYJFLMFVRIQZ-UHFFFAOYSA-N 0 0 283.265 0.097 20 5 CCBDRN CCCCN(CCO)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000568846473 358709697 /nfs/dbraw/zinc/70/96/97/358709697.db2.gz WFJKPXHGFAEOFP-UHFFFAOYSA-N 0 0 256.262 0.553 20 5 CCBDRN CO[C@@H]([C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-])C1CC1 ZINC000570224739 358836824 /nfs/dbraw/zinc/83/68/24/358836824.db2.gz DTUWAWFOWUATJD-CPCISQLKSA-N 0 0 294.311 0.946 20 5 CCBDRN Cc1nn(C)c(N(C)Cc2nncn2C)c1[N+](=O)[O-] ZINC000488475708 236766410 /nfs/dbraw/zinc/76/64/10/236766410.db2.gz DQDHFCOOSXIGAW-UHFFFAOYSA-N 0 0 265.277 0.402 20 5 CCBDRN Nc1nc(SCC(=O)[C@H]2CCOC2)ncc1[N+](=O)[O-] ZINC000570986888 358901544 /nfs/dbraw/zinc/90/15/44/358901544.db2.gz QYQWLEPZKZLNCV-LURJTMIESA-N 0 0 284.297 0.495 20 5 CCBDRN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CO1 ZINC000573488158 358972127 /nfs/dbraw/zinc/97/21/27/358972127.db2.gz NKMOMBHGJWBBPA-PSASIEDQSA-N 0 0 293.279 0.827 20 5 CCBDRN CCc1[nH][nH]c(=NC(=O)c2cc([N+](=O)[O-])cnc2N)c1C ZINC000584664734 359188616 /nfs/dbraw/zinc/18/86/16/359188616.db2.gz OJXRGVFGUIATIS-UHFFFAOYSA-N 0 0 290.283 0.840 20 5 CCBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CN(C)CCO1 ZINC000610899291 363628612 /nfs/dbraw/zinc/62/86/12/363628612.db2.gz VZUWCVTWHOKVNK-KCJUWKMLSA-N 0 0 282.300 0.372 20 5 CCBDRN NC(=O)C1(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000610895630 363628773 /nfs/dbraw/zinc/62/87/73/363628773.db2.gz BUEWVWOJZKXPOT-UHFFFAOYSA-N 0 0 293.235 0.071 20 5 CCBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CN(C)CCO1 ZINC000610907100 363629984 /nfs/dbraw/zinc/62/99/84/363629984.db2.gz HBBHOAMUDAETDL-SCZZXKLOSA-N 0 0 282.300 0.372 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](CCO)C1 ZINC000610927819 363632529 /nfs/dbraw/zinc/63/25/29/363632529.db2.gz YKQRASQMBQDPOS-LLVKDONJSA-N 0 0 296.327 0.721 20 5 CCBDRN CN(C[C@@H](O)C1CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000586795372 359292122 /nfs/dbraw/zinc/29/21/22/359292122.db2.gz HMVMKFTXDIEYQW-MRVPVSSYSA-N 0 0 254.246 0.161 20 5 CCBDRN C[C@H](C[C@H]1CCOC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000586797523 359292529 /nfs/dbraw/zinc/29/25/29/359292529.db2.gz FXAMULLUWYVZNS-HTQZYQBOSA-N 0 0 268.273 0.863 20 5 CCBDRN Cc1nc(NC[C@@H]2CCN(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000589101547 359358948 /nfs/dbraw/zinc/35/89/48/359358948.db2.gz IFFUDMWXOSZVPL-VIFPVBQESA-N 0 0 279.300 0.533 20 5 CCBDRN C[NH+](C)C[C@@H](CO)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000589101375 359359005 /nfs/dbraw/zinc/35/90/05/359359005.db2.gz BHGGJXOXZHIPFX-ZETCQYMHSA-N 0 0 285.329 0.638 20 5 CCBDRN Cc1ccnc(N[C@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000589101410 359359053 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275.268 0.989 20 5 CCBDRN CN(Cc1nc[nH]n1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000080525520 349216017 /nfs/dbraw/zinc/21/60/17/349216017.db2.gz IEFFYPRYNSEUJL-UHFFFAOYSA-N 0 0 275.268 0.914 20 5 CCBDRN CN(C[C@H]1CCC[C@@H]1O)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000129467188 187433106 /nfs/dbraw/zinc/43/31/06/187433106.db2.gz XUDAWJCVUQDWIU-PWSUYJOCSA-N 0 0 296.327 0.801 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1NCCCC(=O)NC1CC1 ZINC000079926564 349195209 /nfs/dbraw/zinc/19/52/09/349195209.db2.gz KUTWDNBIAXKPKU-UHFFFAOYSA-N 0 0 267.289 0.799 20 5 CCBDRN C[C@H](O)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000080050315 349200585 /nfs/dbraw/zinc/20/05/85/349200585.db2.gz MHDRUDDWFUQRIT-VIFPVBQESA-N 0 0 268.269 0.861 20 5 CCBDRN Cn1cc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)nn1 ZINC000082952243 349299805 /nfs/dbraw/zinc/29/98/05/349299805.db2.gz BOCXDCOGLMBWBL-UHFFFAOYSA-N 0 0 287.235 0.520 20 5 CCBDRN CC1(O)CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000089646392 179838605 /nfs/dbraw/zinc/83/86/05/179838605.db2.gz 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0.864 20 5 CCBDRN C[C@H]1CO[C@H](CO)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000129390576 350212865 /nfs/dbraw/zinc/21/28/65/350212865.db2.gz NNNMOCKMOHIYCX-JQWIXIFHSA-N 0 0 294.307 0.746 20 5 CCBDRN C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000129477589 350214845 /nfs/dbraw/zinc/21/48/45/350214845.db2.gz UHOKSFKNHUKDDK-JGVFFNPUSA-N 0 0 270.241 0.410 20 5 CCBDRN COCCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000091815697 180261219 /nfs/dbraw/zinc/26/12/19/180261219.db2.gz RJZZADYZNQBNAW-UHFFFAOYSA-N 0 0 293.323 0.885 20 5 CCBDRN CCCCOCCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000133982496 350350695 /nfs/dbraw/zinc/35/06/95/350350695.db2.gz ULMKBQCBDNRHJE-UHFFFAOYSA-N 0 0 299.331 0.907 20 5 CCBDRN CCc1nn(C)c(N2CCO[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000134004755 350351943 /nfs/dbraw/zinc/35/19/43/350351943.db2.gz UACDYFWNHBKFPQ-VIFPVBQESA-N 0 0 298.299 0.269 20 5 CCBDRN Cc1cc(C(=O)N2CCN(CCO)CC2)cc([N+](=O)[O-])c1 ZINC000134421554 350364013 /nfs/dbraw/zinc/36/40/13/350364013.db2.gz 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581465950 /nfs/dbraw/zinc/46/59/50/581465950.db2.gz VKGOMRDSTQTJNT-GFCCVEGCSA-N 0 0 281.316 0.515 20 5 CCBDRN C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1nnnn1C ZINC000787565532 581472715 /nfs/dbraw/zinc/47/27/15/581472715.db2.gz HODMCMOCEVWFQM-QMMMGPOBSA-N 0 0 291.267 0.965 20 5 CCBDRN COC(COCCNC(=O)c1ccccc1[N+](=O)[O-])OC ZINC000787922268 581481479 /nfs/dbraw/zinc/48/14/79/581481479.db2.gz HFYISEHWGFRJLX-UHFFFAOYSA-N 0 0 298.295 0.960 20 5 CCBDRN Cn1nncc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000752948527 581522387 /nfs/dbraw/zinc/52/23/87/581522387.db2.gz BXIZBRUNXSVADB-UHFFFAOYSA-N 0 0 277.240 0.741 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000729190669 581558412 /nfs/dbraw/zinc/55/84/12/581558412.db2.gz XLAABUHQVDLRNU-SECBINFHSA-N 0 0 296.283 0.121 20 5 CCBDRN COCCCCOC(=O)c1c([N+](=O)[O-])cnn1C ZINC000766623838 581573827 /nfs/dbraw/zinc/57/38/27/581573827.db2.gz JDSCFTHDIWLPLF-UHFFFAOYSA-N 0 0 257.246 0.912 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OC[C@H](C)CO 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Cn1c(C(=O)OCCNc2cccnn2)ccc1[N+](=O)[O-] ZINC000754691490 581605540 /nfs/dbraw/zinc/60/55/40/581605540.db2.gz RFAFPHRYAVYNNB-UHFFFAOYSA-N 0 0 291.267 0.992 20 5 CCBDRN O=C(NC[C@H](O)c1ccsc1)c1c[nH]nc1[N+](=O)[O-] ZINC000788306252 581617822 /nfs/dbraw/zinc/61/78/22/581617822.db2.gz MCXMDYADZDGBIL-QMMMGPOBSA-N 0 0 282.281 0.843 20 5 CCBDRN CCN(CC(=O)NC)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000767920547 581636848 /nfs/dbraw/zinc/63/68/48/581636848.db2.gz DOSCFDOUQYCTLI-UHFFFAOYSA-N 0 0 295.295 0.812 20 5 CCBDRN C[C@@H](O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000768729640 581653460 /nfs/dbraw/zinc/65/34/60/581653460.db2.gz CZIXSPVVIKFKRJ-MRVPVSSYSA-N 0 0 278.268 0.442 20 5 CCBDRN Cc1noc(C)c1CCOC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000756184106 581658874 /nfs/dbraw/zinc/65/88/74/581658874.db2.gz KUXHLFHSQXHMJZ-UHFFFAOYSA-N 0 0 295.255 0.577 20 5 CCBDRN NC(=O)NCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000735810078 581660580 /nfs/dbraw/zinc/66/05/80/581660580.db2.gz IPDVWNKEULQTAT-UHFFFAOYSA-N 0 0 291.267 0.474 20 5 CCBDRN CCNC(=O)COC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769050981 581667675 /nfs/dbraw/zinc/66/76/75/581667675.db2.gz ZFPUBIUZLJHDDZ-UHFFFAOYSA-N 0 0 268.225 0.593 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC2=NCCS2)n1 ZINC000756637770 581673421 /nfs/dbraw/zinc/67/34/21/581673421.db2.gz WYHJOEUOPIBZIX-UHFFFAOYSA-N 0 0 269.286 0.644 20 5 CCBDRN Cc1nonc1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000735927469 581674886 /nfs/dbraw/zinc/67/48/86/581674886.db2.gz HEKJPVMQLDDPKG-UHFFFAOYSA-N 0 0 292.251 0.981 20 5 CCBDRN Cc1n[nH]c(C(=O)NC2COC(C)(C)OC2)c1[N+](=O)[O-] ZINC000756704250 581676163 /nfs/dbraw/zinc/67/61/63/581676163.db2.gz JCPQIBRRZAPVRA-UHFFFAOYSA-N 0 0 284.272 0.508 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)CC(C)C)n1 ZINC000756865028 581682817 /nfs/dbraw/zinc/68/28/17/581682817.db2.gz XUUOAFOCHUWEES-SECBINFHSA-N 0 0 284.316 0.948 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2CCO)n1 ZINC000756879480 581683287 /nfs/dbraw/zinc/68/32/87/581683287.db2.gz MPWYULFHACRLOG-VIFPVBQESA-N 0 0 298.299 0.035 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2CCO)n1 ZINC000756879479 581683565 /nfs/dbraw/zinc/68/35/65/581683565.db2.gz MPWYULFHACRLOG-SECBINFHSA-N 0 0 298.299 0.035 20 5 CCBDRN O=C(N[C@@H](CCO)C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000757084046 581693350 /nfs/dbraw/zinc/69/33/50/581693350.db2.gz KQJJQKDIGUCMKT-JTQLQIEISA-N 0 0 265.269 0.881 20 5 CCBDRN CNC(=O)[C@H](O)CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000757692045 581694376 /nfs/dbraw/zinc/69/43/76/581694376.db2.gz AFWGVTGUBKRUGW-LLVKDONJSA-N 0 0 281.268 0.316 20 5 CCBDRN COc1cccc(C(=O)OCC(=O)N2CCC2)c1[N+](=O)[O-] ZINC000769603599 581697712 /nfs/dbraw/zinc/69/77/12/581697712.db2.gz NMIISQJKVVQIHX-UHFFFAOYSA-N 0 0 294.263 0.993 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(C)OCCCO2)n1 ZINC000757603916 581703984 /nfs/dbraw/zinc/70/39/84/581703984.db2.gz UEXAXLSRJRSVBH-UHFFFAOYSA-N 0 0 298.299 0.694 20 5 CCBDRN CN(CC(N)=O)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000757812890 581710874 /nfs/dbraw/zinc/71/08/74/581710874.db2.gz CYSMBRBAVWPWDQ-UHFFFAOYSA-N 0 0 292.295 0.409 20 5 CCBDRN CC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)COC1 ZINC000736216397 581718589 /nfs/dbraw/zinc/71/85/89/581718589.db2.gz HSEXEAPZXPEWJX-UHFFFAOYSA-N 0 0 291.271 0.618 20 5 CCBDRN CCCC(=O)COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000738635069 581720062 /nfs/dbraw/zinc/72/00/62/581720062.db2.gz CCWCQVXQWBOOKH-UHFFFAOYSA-N 0 0 282.252 0.669 20 5 CCBDRN CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(N)=O ZINC000758078234 581721081 /nfs/dbraw/zinc/72/10/81/581721081.db2.gz GHSIPRWRHZTGOW-JTQLQIEISA-N 0 0 299.258 0.983 20 5 CCBDRN CNC(=O)[C@H](O)CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000758125035 581722592 /nfs/dbraw/zinc/72/25/92/581722592.db2.gz JUEGSACGJHQUOB-SNVBAGLBSA-N 0 0 291.267 0.057 20 5 CCBDRN CS(=O)(=O)NCCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000730597469 581722750 /nfs/dbraw/zinc/72/27/50/581722750.db2.gz FCKMYHMGQKZGCL-UHFFFAOYSA-N 0 0 288.281 0.301 20 5 CCBDRN Cc1cc(C(=O)O[C@@H]2CCNC2=O)c(N)c([N+](=O)[O-])c1 ZINC000770014487 581723355 /nfs/dbraw/zinc/72/33/55/581723355.db2.gz FVPCAUSUJQVYQI-SECBINFHSA-N 0 0 279.252 0.531 20 5 CCBDRN Cn1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000770022669 581724859 /nfs/dbraw/zinc/72/48/59/581724859.db2.gz SLQFHDSAUNIFAC-QPJJXVBHSA-N 0 0 274.240 0.770 20 5 CCBDRN CN(c1nc2ccccn2c1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000758284444 581733965 /nfs/dbraw/zinc/73/39/65/581733965.db2.gz FWHJOHQRYRHOAE-QMMMGPOBSA-N 0 0 275.268 0.567 20 5 CCBDRN CCOC(=O)[C@H]1CN(c2cccnc2[N+](=O)[O-])CCO1 ZINC000741244210 581738724 /nfs/dbraw/zinc/73/87/24/581738724.db2.gz HBALUAJEFWKQEK-SNVBAGLBSA-N 0 0 281.268 0.758 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)C1CC(=O)C1 ZINC000770358763 581740234 /nfs/dbraw/zinc/74/02/34/581740234.db2.gz FWRMWWAFAXNOAU-UHFFFAOYSA-N 0 0 267.241 0.622 20 5 CCBDRN COC(=O)C[C@H](C)C(=O)OCCn1c(C)ncc1[N+](=O)[O-] ZINC000758514427 581752023 /nfs/dbraw/zinc/75/20/23/581752023.db2.gz PYYLXUQVWDMOAC-QMMMGPOBSA-N 0 0 299.283 0.842 20 5 CCBDRN Cc1nn(CCC(=O)NN2CCCC2=O)c(C)c1[N+](=O)[O-] ZINC000770546454 581752507 /nfs/dbraw/zinc/75/25/07/581752507.db2.gz PVQUYNCXXRVCHV-UHFFFAOYSA-N 0 0 295.299 0.452 20 5 CCBDRN Cn1cnnc1COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000770827394 581771376 /nfs/dbraw/zinc/77/13/76/581771376.db2.gz BJDXUYYEEZXMPA-UHFFFAOYSA-N 0 0 292.251 0.846 20 5 CCBDRN CN(C)C(=O)COC(=O)c1cccc([N+](=O)[O-])c1N ZINC000758957395 581777233 /nfs/dbraw/zinc/77/72/33/581777233.db2.gz OMVOMMYKHMJGAA-UHFFFAOYSA-N 0 0 267.241 0.422 20 5 CCBDRN Nc1c(C(=O)OCCn2cncn2)cccc1[N+](=O)[O-] ZINC000758962837 581777530 /nfs/dbraw/zinc/77/75/30/581777530.db2.gz AQFHRGFIDMYDBV-UHFFFAOYSA-N 0 0 277.240 0.626 20 5 CCBDRN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H](CO)C1CC1 ZINC000771042216 581786003 /nfs/dbraw/zinc/78/60/03/581786003.db2.gz VXTPJFNCYCHZIN-NSHDSACASA-N 0 0 279.296 0.894 20 5 CCBDRN C[C@H]1OCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000771073664 581789185 /nfs/dbraw/zinc/78/91/85/581789185.db2.gz BECRTXRJMPYBFK-PSASIEDQSA-N 0 0 269.257 0.760 20 5 CCBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)OC1=O ZINC000771184644 581795543 /nfs/dbraw/zinc/79/55/43/581795543.db2.gz SXALPYIFTOKLED-QUBYGPBYSA-N 0 0 279.252 0.732 20 5 CCBDRN Cn1nnnc1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000771704660 581817688 /nfs/dbraw/zinc/81/76/88/581817688.db2.gz OAMOVCGVFGGTES-UHFFFAOYSA-N 0 0 293.243 0.681 20 5 CCBDRN COC[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000760047704 581838087 /nfs/dbraw/zinc/83/80/87/581838087.db2.gz KTBBEMHCLXIIKH-IBHLPDHGSA-N 0 0 293.279 0.225 20 5 CCBDRN CC(C)CNC(=O)COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772052380 581839959 /nfs/dbraw/zinc/83/99/59/581839959.db2.gz RNIMKTCLXKLKNR-UHFFFAOYSA-N 0 0 284.272 0.257 20 5 CCBDRN Cc1c[nH]cc(C(=O)OCCn2cc([N+](=O)[O-])cn2)c1=O ZINC000772256982 581849416 /nfs/dbraw/zinc/84/94/16/581849416.db2.gz OVGKSZAXVINQCQ-UHFFFAOYSA-N 0 0 292.251 0.645 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)OCc1ccon1 ZINC000744798457 581853059 /nfs/dbraw/zinc/85/30/59/581853059.db2.gz AGUSELUMJGZZMO-UHFFFAOYSA-N 0 0 252.186 0.523 20 5 CCBDRN CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000736841706 581854110 /nfs/dbraw/zinc/85/41/10/581854110.db2.gz JDYZAWZQTUFXKQ-VIFPVBQESA-N 0 0 290.283 1.000 20 5 CCBDRN CCc1n[nH]c(C(=O)NCCC2(C)OCCO2)c1[N+](=O)[O-] ZINC000760450516 581859951 /nfs/dbraw/zinc/85/99/51/581859951.db2.gz NEBGBEHDZFCDTH-UHFFFAOYSA-N 0 0 298.299 0.763 20 5 CCBDRN Nc1ccc(C(=O)N[C@@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000760686360 581869992 /nfs/dbraw/zinc/86/99/92/581869992.db2.gz RNDKOEYPYWOCPZ-SSDOTTSWSA-N 0 0 289.238 0.923 20 5 CCBDRN O=C(NOC1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000772709918 581884802 /nfs/dbraw/zinc/88/48/02/581884802.db2.gz KPRLCYSAEJCNOD-UHFFFAOYSA-N 0 0 255.230 0.763 20 5 CCBDRN CN1C[C@H](COC(=O)CCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000772743063 581888462 /nfs/dbraw/zinc/88/84/62/581888462.db2.gz OWWCQOBKENTDSW-SECBINFHSA-N 0 0 296.283 0.203 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)[nH]n2)n1 ZINC000772920798 581899808 /nfs/dbraw/zinc/89/98/08/581899808.db2.gz DWKLOKLUUDXMQF-UHFFFAOYSA-N 0 0 270.636 0.957 20 5 CCBDRN NC(=O)CONC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000772931411 581900413 /nfs/dbraw/zinc/90/04/13/581900413.db2.gz KKXKMRGTVYQTGS-UHFFFAOYSA-N 0 0 278.224 0.223 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1C=CCCC1 ZINC000733455406 581914636 /nfs/dbraw/zinc/91/46/36/581914636.db2.gz CDOJZUOTMGAEAZ-QMMMGPOBSA-N 0 0 252.230 0.838 20 5 CCBDRN CCN(C)C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000746540770 581917865 /nfs/dbraw/zinc/91/78/65/581917865.db2.gz VMBQQXICAOVCQJ-UHFFFAOYSA-N 0 0 281.268 0.812 20 5 CCBDRN CC(C)NC(=O)[C@H](C)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000746595156 581919530 /nfs/dbraw/zinc/91/95/30/581919530.db2.gz SBYOZESPXZGSLY-VIFPVBQESA-N 0 0 298.299 0.638 20 5 CCBDRN COCCC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000761933255 581926247 /nfs/dbraw/zinc/92/62/47/581926247.db2.gz ZOFHALVKMJTWPH-UHFFFAOYSA-N 0 0 282.252 0.939 20 5 CCBDRN CCOC(=O)COC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000761976466 581927508 /nfs/dbraw/zinc/92/75/08/581927508.db2.gz PVLAUECLLNXHKM-UHFFFAOYSA-N 0 0 254.198 0.710 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(C)(C)OC1=O ZINC000762022852 581928735 /nfs/dbraw/zinc/92/87/35/581928735.db2.gz BYMYZVIDGPFIRK-QMMMGPOBSA-N 0 0 281.268 0.757 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccon1 ZINC000747335249 581937670 /nfs/dbraw/zinc/93/76/70/581937670.db2.gz KIZRTHCTFQYCLC-UHFFFAOYSA-N 0 0 279.256 0.794 20 5 CCBDRN Cn1[nH]cnc1=NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000762571405 581951558 /nfs/dbraw/zinc/95/15/58/581951558.db2.gz YTDCOQIVPAYCNB-UHFFFAOYSA-N 0 0 286.251 0.879 20 5 CCBDRN Cn1nccc1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000762709889 581957037 /nfs/dbraw/zinc/95/70/37/581957037.db2.gz MRRNOZGFOCHBRX-UHFFFAOYSA-N 0 0 263.257 0.629 20 5 CCBDRN O=C(C[C@H]1CCCO1)OCCn1ccc([N+](=O)[O-])n1 ZINC000748118699 581962369 /nfs/dbraw/zinc/96/23/69/581962369.db2.gz NVEWXQSAASREPX-SECBINFHSA-N 0 0 269.257 0.904 20 5 CCBDRN COc1ncc(C(=O)OCCn2ccc([N+](=O)[O-])n2)cn1 ZINC000748127908 581963388 /nfs/dbraw/zinc/96/33/88/581963388.db2.gz YRTGBJAALXNMOC-UHFFFAOYSA-N 0 0 293.239 0.447 20 5 CCBDRN CN1CCCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000748128319 581963495 /nfs/dbraw/zinc/96/34/95/581963495.db2.gz DJVVHGGFMDDHNB-LLVKDONJSA-N 0 0 282.300 0.819 20 5 CCBDRN O=C(C[C@H]1CCOC1)OCCn1cc([N+](=O)[O-])cn1 ZINC000748134530 581963541 /nfs/dbraw/zinc/96/35/41/581963541.db2.gz WUUDBSYESVHVKD-SECBINFHSA-N 0 0 269.257 0.761 20 5 CCBDRN CC(=O)c1c([N+](=O)[O-])cccc1N1CCNC(=O)C1 ZINC000763206912 581990311 /nfs/dbraw/zinc/99/03/11/581990311.db2.gz OJQBOSPKWGVUIF-UHFFFAOYSA-N 0 0 263.253 0.734 20 5 CCBDRN C/C=C/COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000748917199 581992512 /nfs/dbraw/zinc/99/25/12/581992512.db2.gz MCWOQQJSEDCBHB-NSCUHMNNSA-N 0 0 252.226 0.876 20 5 CCBDRN CON(C)C(=O)COc1ncc(C)cc1[N+](=O)[O-] ZINC000763262969 581993219 /nfs/dbraw/zinc/99/32/19/581993219.db2.gz NJJXRLQKXDTSJX-UHFFFAOYSA-N 0 0 255.230 0.697 20 5 CCBDRN Cc1cc(C(=O)OCC2(CO)COC2)c(N)c([N+](=O)[O-])c1 ZINC000763675677 582006176 /nfs/dbraw/zinc/00/61/76/582006176.db2.gz GLUXYZPBMIDJQK-UHFFFAOYSA-N 0 0 296.279 0.651 20 5 CCBDRN Cc1n[nH]c(C(=O)NC[C@H](O)c2ccco2)c1[N+](=O)[O-] ZINC000749730913 582019603 /nfs/dbraw/zinc/01/96/03/582019603.db2.gz SORRGKSDPNCJFE-ZETCQYMHSA-N 0 0 280.240 0.683 20 5 CCBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1C[C@H](O)C[C@H]1CO ZINC000775391520 582023048 /nfs/dbraw/zinc/02/30/48/582023048.db2.gz KSHJXTZYLJRYMV-SRGUYAIJSA-N 0 0 292.291 0.562 20 5 CCBDRN C[C@H]1C[C@@H](C(=O)OCCn2cnc([N+](=O)[O-])n2)CCC1=O ZINC000775537693 582028267 /nfs/dbraw/zinc/02/82/67/582028267.db2.gz YFEALZZECNTOSR-IUCAKERBSA-N 0 0 296.283 0.735 20 5 CCBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)NC1CC1 ZINC000750085717 582033464 /nfs/dbraw/zinc/03/34/64/582033464.db2.gz UWTBZSYPQZMZMZ-UHFFFAOYSA-N 0 0 279.252 0.734 20 5 CCBDRN COC(=O)c1ncn(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776279221 582066495 /nfs/dbraw/zinc/06/64/95/582066495.db2.gz VWSDOQQIRGRIMW-SNVBAGLBSA-N 0 0 292.251 0.707 20 5 CCBDRN CNC(=O)CC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000776286045 582067296 /nfs/dbraw/zinc/06/72/96/582067296.db2.gz ZDVGMJKPKYVXDW-UHFFFAOYSA-N 0 0 252.226 0.774 20 5 CCBDRN CC(C)COC(=O)COC(=O)c1c([N+](=O)[O-])cnn1C ZINC000776395372 582071735 /nfs/dbraw/zinc/07/17/35/582071735.db2.gz FQVINQJOUDQKOS-UHFFFAOYSA-N 0 0 285.256 0.684 20 5 CCBDRN Nc1ccc(C(=O)OCCn2cc([N+](=O)[O-])cn2)nc1 ZINC000776458305 582073517 /nfs/dbraw/zinc/07/35/17/582073517.db2.gz ISELFEHXSROGDQ-UHFFFAOYSA-N 0 0 277.240 0.626 20 5 CCBDRN COC(=O)[C@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000752444626 582104465 /nfs/dbraw/zinc/10/44/65/582104465.db2.gz RUHRGZXSELRTLP-NSHDSACASA-N 0 0 286.215 0.915 20 5 CCBDRN COCCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-] ZINC000804903995 616607312 /nfs/dbraw/zinc/60/73/12/616607312.db2.gz JHVOYAAZWUTSHC-UHFFFAOYSA-N 0 0 277.302 0.161 20 5 CCBDRN C[C@H](O)CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000820481550 607344230 /nfs/dbraw/zinc/34/42/30/607344230.db2.gz XHSXYNMHKHYXTD-LURJTMIESA-N 0 0 264.245 0.568 20 5 CCBDRN O=C([O-])C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000833248189 601378991 /nfs/dbraw/zinc/37/89/91/601378991.db2.gz CUMVQAMVICDLOO-UHFFFAOYSA-N 0 0 298.299 0.357 20 5 CCBDRN C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(=O)[O-] ZINC000828449301 601531602 /nfs/dbraw/zinc/53/16/02/601531602.db2.gz JWQMWFIQTHIZIC-IUCAKERBSA-N 0 0 268.273 0.444 20 5 CCBDRN C[C@]1(C(=O)[O-])CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000828024055 601939967 /nfs/dbraw/zinc/93/99/67/601939967.db2.gz DWHZKJXNLDXAKP-NSHDSACASA-N 0 0 268.273 0.588 20 5 CCBDRN C[C@H]1OCC[C@H]1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000825021109 608148142 /nfs/dbraw/zinc/14/81/42/608148142.db2.gz OYWXDTIZAWAGLQ-HTRCEHHLSA-N 0 0 291.271 0.759 20 5 CCBDRN CS(=O)(=O)[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886190331 617184516 /nfs/dbraw/zinc/18/45/16/617184516.db2.gz MVTVLEFUWYZIEB-JTQLQIEISA-N 0 0 285.325 0.609 20 5 CCBDRN C[C@H]1C[C@@H]1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820674225 606706370 /nfs/dbraw/zinc/70/63/70/606706370.db2.gz BXDLNVBMYFFYOI-FSPLSTOPSA-N 0 0 261.245 0.990 20 5 CCBDRN C[C@@H](CCO)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820248362 606711632 /nfs/dbraw/zinc/71/16/32/606711632.db2.gz GCXYZLOKFKBDSE-LURJTMIESA-N 0 0 279.260 0.353 20 5 CCBDRN COc1cc([N+](=O)[O-])ccc1C(=O)OC1CN(C(C)=O)C1 ZINC000836038837 617217375 /nfs/dbraw/zinc/21/73/75/617217375.db2.gz GDVMAJUTDUBWIG-UHFFFAOYSA-N 0 0 294.263 0.991 20 5 CCBDRN COc1cc([N+](=O)[O-])cnc1N1CCN(CCO)CC1 ZINC000891434372 617218017 /nfs/dbraw/zinc/21/80/17/617218017.db2.gz RLBGEWURCZYNTQ-UHFFFAOYSA-N 0 0 282.300 0.113 20 5 CCBDRN COc1ccc(N2CCN(CC[N+](=O)[O-])CC2)nc1 ZINC000930667744 617267695 /nfs/dbraw/zinc/26/76/95/617267695.db2.gz UELFYJVPJDGGEQ-UHFFFAOYSA-N 0 0 266.301 0.489 20 5 CCBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ncn(C)n1 ZINC000810528023 617282449 /nfs/dbraw/zinc/28/24/49/617282449.db2.gz NZHDULDOMZUVDD-UHFFFAOYSA-N 0 0 278.224 0.951 20 5 CCBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(N)=O ZINC000007079600 617282522 /nfs/dbraw/zinc/28/25/22/617282522.db2.gz CJTPHEREHPNSTF-LURJTMIESA-N 0 0 268.225 0.634 20 5 CCBDRN CC(=O)NCCN(C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869078380 613732496 /nfs/dbraw/zinc/73/24/96/613732496.db2.gz PNSGKFRMDKLMJN-UHFFFAOYSA-N 0 0 297.286 0.871 20 5 CCBDRN CC(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000953926969 613807574 /nfs/dbraw/zinc/80/75/74/613807574.db2.gz KFODVGMDQGFWGX-GHMZBOCLSA-N 0 0 269.301 0.121 20 5 CCBDRN CC(=O)N1CCC[C@@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000893613825 613846326 /nfs/dbraw/zinc/84/63/26/613846326.db2.gz IAAHAHGEZIVZIC-JTQLQIEISA-N 0 0 281.316 0.999 20 5 CCBDRN CC(C)(C)NC(=O)COC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848787496 613949215 /nfs/dbraw/zinc/94/92/15/613949215.db2.gz RMZATAWDZZXDIT-UHFFFAOYSA-N 0 0 296.283 0.644 20 5 CCBDRN CC(C)(C)[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(N)=O ZINC000110742599 614035871 /nfs/dbraw/zinc/03/58/71/614035871.db2.gz WUQKUYPYXQLXQD-SNVBAGLBSA-N 0 0 294.311 0.807 20 5 CCBDRN CC(C)(C)c1nnc(Cn2ncc([N+](=O)[O-])n2)o1 ZINC000863374555 614056894 /nfs/dbraw/zinc/05/68/94/614056894.db2.gz QNMIICPGYSPBCX-UHFFFAOYSA-N 0 0 252.234 0.915 20 5 CCBDRN CC(C)(CCC(=O)OCCn1cc(C(N)=O)cn1)[N+](=O)[O-] ZINC000851497888 614082316 /nfs/dbraw/zinc/08/23/16/614082316.db2.gz MXENIJLYESBHBW-UHFFFAOYSA-N 0 0 298.299 0.361 20 5 CCBDRN CC(C)(CCC(=O)O[C@]1(C)CNC(=O)C1)[N+](=O)[O-] ZINC000839000995 614082572 /nfs/dbraw/zinc/08/25/72/614082572.db2.gz GKVCETYRCBBNSN-NSHDSACASA-N 0 0 258.274 0.644 20 5 CCBDRN CC(C)(COC(=O)c1ccc(C(N)=O)o1)[N+](=O)[O-] ZINC000851125959 614127102 /nfs/dbraw/zinc/12/71/02/614127102.db2.gz JPOBXPDVHFWQEM-UHFFFAOYSA-N 0 0 256.214 0.591 20 5 CCBDRN CC(C)(Cn1cc(C[C@H](O)C2CC2)nn1)[N+](=O)[O-] ZINC000864642268 614128354 /nfs/dbraw/zinc/12/83/54/614128354.db2.gz LMLLOHBRJWHRFM-JTQLQIEISA-N 0 0 254.290 0.647 20 5 CCBDRN CC(C)(C(=O)O[C@@H]1CCOC1)n1cc([N+](=O)[O-])cn1 ZINC000107018314 614308858 /nfs/dbraw/zinc/30/88/58/614308858.db2.gz LZOZPJQAWFDCNT-SECBINFHSA-N 0 0 269.257 0.859 20 5 CCBDRN CC(C)C(=O)N1CCC[C@@H]1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813108223 614361035 /nfs/dbraw/zinc/36/10/35/614361035.db2.gz WCLQWEDWKPTUPB-NXEZZACHSA-N 0 0 272.301 0.842 20 5 CCBDRN CCCCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840672640 614425325 /nfs/dbraw/zinc/42/53/25/614425325.db2.gz KGVJVOMARMNQTK-IWSPIJDZSA-N 0 0 258.274 0.500 20 5 CCBDRN CCCCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840672637 614427228 /nfs/dbraw/zinc/42/72/28/614427228.db2.gz KGVJVOMARMNQTK-DJLDLDEBSA-N 0 0 258.274 0.500 20 5 CCBDRN CCC(=O)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828047600 614446740 /nfs/dbraw/zinc/44/67/40/614446740.db2.gz RBZGWAPWZSNAGH-NSHDSACASA-N 0 0 266.253 0.724 20 5 CCBDRN CCCc1n[nH]c(C(=O)NC[C@@H]2COCO2)c1[N+](=O)[O-] ZINC000861969797 614461532 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ZINC000331495211 203900365 /nfs/dbraw/zinc/90/03/65/203900365.db2.gz JGGWOXUMACLIIN-UHFFFAOYSA-N 0 0 278.311 0.412 20 5 CCBDRN Cc1nn(C)c(C(=O)N2CCC[C@H](CO)CC2)c1[N+](=O)[O-] ZINC000331681309 204070655 /nfs/dbraw/zinc/07/06/55/204070655.db2.gz UPZRHHNTHZYJIQ-JTQLQIEISA-N 0 0 296.327 0.871 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)C2CC2)n1 ZINC000331700828 204088450 /nfs/dbraw/zinc/08/84/50/204088450.db2.gz WEIJWXAQMAZJKI-NSHDSACASA-N 0 0 268.273 0.219 20 5 CCBDRN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[S@@]1=O ZINC000331659290 204051022 /nfs/dbraw/zinc/05/10/22/204051022.db2.gz PWCPTRJPQNSKQT-RLBGWGEZSA-N 0 0 285.325 0.906 20 5 CCBDRN O=C1NC(=O)N2CCN(Cc3csc([N+](=O)[O-])c3)C[C@@H]12 ZINC000331893733 204271610 /nfs/dbraw/zinc/27/16/10/204271610.db2.gz OTMTXKRQZIXCEL-QMMMGPOBSA-N 0 0 296.308 0.392 20 5 CCBDRN O=[N+]([O-])c1ccc(CNS(=O)(=O)NC2CC2)cc1 ZINC000331900911 204276653 /nfs/dbraw/zinc/27/66/53/204276653.db2.gz SHLIXEVDOHNWAF-UHFFFAOYSA-N 0 0 271.298 0.681 20 5 CCBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CCO ZINC000336840146 213747010 /nfs/dbraw/zinc/74/70/10/213747010.db2.gz PRGJCYVOGDOCLN-QMMMGPOBSA-N 0 0 280.284 0.559 20 5 CCBDRN O=[N+]([O-])c1cnc(NCc2nnnn2CC2CC2)s1 ZINC000337015873 213834044 /nfs/dbraw/zinc/83/40/44/213834044.db2.gz LLPRYVHKFJKIMI-UHFFFAOYSA-N 0 0 281.301 0.482 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](O)CC1 ZINC000332261435 204560476 /nfs/dbraw/zinc/56/04/76/204560476.db2.gz FAPJHIFMYLITTF-LLVKDONJSA-N 0 0 295.295 0.130 20 5 CCBDRN CC[C@@]1(CO)CCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000332640803 204849036 /nfs/dbraw/zinc/84/90/36/204849036.db2.gz KHOAKABHZIUBLP-LBPRGKRZSA-N 0 0 282.300 0.705 20 5 CCBDRN COC(=O)[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000345044006 284371164 /nfs/dbraw/zinc/37/11/64/284371164.db2.gz LQNGGTKTAQRVPR-YUMQZZPRSA-N 0 0 268.273 0.716 20 5 CCBDRN NC(=O)[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000058394813 284530022 /nfs/dbraw/zinc/53/00/22/284530022.db2.gz VKHKKFAJTPANLH-QRGHLMKCSA-N 0 0 289.291 0.942 20 5 CCBDRN CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000061499483 284535028 /nfs/dbraw/zinc/53/50/28/284535028.db2.gz NXZYFGSZIPLRTB-UHFFFAOYSA-N 0 0 257.271 0.522 20 5 CCBDRN COc1cc([N+](=O)[O-])ccc1CN(C)CC(N)=O ZINC000430197361 249021911 /nfs/dbraw/zinc/02/19/11/249021911.db2.gz VALVTRXBFWHEDK-UHFFFAOYSA-N 0 0 253.258 0.521 20 5 CCBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@](O)(CO)C1 ZINC000313679886 249001758 /nfs/dbraw/zinc/00/17/58/249001758.db2.gz MEGNLUPUHUKBRO-ZDUSSCGKSA-N 0 0 295.295 0.946 20 5 CCBDRN CN(CC(=O)NC1CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000514941480 249113645 /nfs/dbraw/zinc/11/36/45/249113645.db2.gz JPJTZUPWTFPUJT-UHFFFAOYSA-N 0 0 280.284 0.284 20 5 CCBDRN NC(=O)c1ccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000515072349 249119751 /nfs/dbraw/zinc/11/97/51/249119751.db2.gz MNCPDRKADFYIRC-UHFFFAOYSA-N 0 0 289.251 0.347 20 5 CCBDRN CCOC[C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000515070826 249119894 /nfs/dbraw/zinc/11/98/94/249119894.db2.gz MMQCFFZLKTWJCK-ZETCQYMHSA-N 0 0 268.273 0.557 20 5 CCBDRN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000516391003 249163130 /nfs/dbraw/zinc/16/31/30/249163130.db2.gz OWORYDGQSDWZLP-BDAKNGLRSA-N 0 0 294.311 0.659 20 5 CCBDRN CCc1nn(C)c(N2CC(C)(C(N)=O)C2)c1[N+](=O)[O-] ZINC000517134257 249204023 /nfs/dbraw/zinc/20/40/23/249204023.db2.gz LDMARYGICFBMFS-UHFFFAOYSA-N 0 0 267.289 0.202 20 5 CCBDRN C[C@@H]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CCO1 ZINC000517244978 249211310 /nfs/dbraw/zinc/21/13/10/249211310.db2.gz NKKNOSHNYCUJCU-SFYZADRCSA-N 0 0 280.284 0.700 20 5 CCBDRN C[C@@H]1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CCO1 ZINC000517244976 249211787 /nfs/dbraw/zinc/21/17/87/249211787.db2.gz NKKNOSHNYCUJCU-HTQZYQBOSA-N 0 0 280.284 0.700 20 5 CCBDRN CCCN(CC(=O)NC)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000518672660 249257287 /nfs/dbraw/zinc/25/72/87/249257287.db2.gz KTVPMPLWNASCSV-UHFFFAOYSA-N 0 0 282.300 0.532 20 5 CCBDRN CCc1n[nH]c(C(=O)NC(C)(C)CO)c1[N+](=O)[O-] ZINC000278299673 193905484 /nfs/dbraw/zinc/90/54/84/193905484.db2.gz BUFDJSZYFBCMRG-UHFFFAOYSA-N 0 0 256.262 0.381 20 5 CCBDRN C[C@H](O)CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278575363 194052082 /nfs/dbraw/zinc/05/20/82/194052082.db2.gz CPDNVHMZOUBCQV-ZETCQYMHSA-N 0 0 293.283 0.651 20 5 CCBDRN CN(CCO)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278667253 194091705 /nfs/dbraw/zinc/09/17/05/194091705.db2.gz LHGWNUDIOPZVDM-UHFFFAOYSA-N 0 0 293.283 0.605 20 5 CCBDRN Nc1ncnc2c1ncn2CCCn1nccc1[N+](=O)[O-] ZINC000128043172 284748336 /nfs/dbraw/zinc/74/83/36/284748336.db2.gz GMYFVFZZMNHFLW-UHFFFAOYSA-N 0 0 288.271 0.604 20 5 CCBDRN CNC(=O)C[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000574730963 335042992 /nfs/dbraw/zinc/04/29/92/335042992.db2.gz QIZWJNWCUIINGQ-VIFPVBQESA-N 0 0 294.311 0.919 20 5 CCBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)[C@@H](O)C1 ZINC000278936284 194219962 /nfs/dbraw/zinc/21/99/62/194219962.db2.gz XSGWFFGAHPNJMQ-FXAINCCUSA-N 0 0 252.270 0.693 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000267709464 190349009 /nfs/dbraw/zinc/34/90/09/190349009.db2.gz SRQSWSLDHZFUKQ-SSDOTTSWSA-N 0 0 265.273 0.504 20 5 CCBDRN CC(C)(O)CONC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000279150555 194306435 /nfs/dbraw/zinc/30/64/35/194306435.db2.gz HGZOVMBJYDUPJF-UHFFFAOYSA-N 0 0 287.247 0.748 20 5 CCBDRN O=Cc1ccc(OCC(=O)NCCCCO)c([N+](=O)[O-])c1 ZINC000279219432 194338067 /nfs/dbraw/zinc/33/80/67/194338067.db2.gz PCBURBKDZUERKZ-UHFFFAOYSA-N 0 0 296.279 0.675 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NCCc1ncc[nH]1 ZINC000135481543 284874255 /nfs/dbraw/zinc/87/42/55/284874255.db2.gz AGVBNRFJGYICQI-UHFFFAOYSA-N 0 0 263.257 0.629 20 5 CCBDRN C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000449601499 532973921 /nfs/dbraw/zinc/97/39/21/532973921.db2.gz NDFYOSVQXOHWPX-RNFRBKRXSA-N 0 0 253.258 0.766 20 5 CCBDRN O=C1C[C@@H]([C@H]2CCCCN2c2ncc([N+](=O)[O-])cn2)CN1 ZINC000354562812 296344531 /nfs/dbraw/zinc/34/45/31/296344531.db2.gz HFLPERNPFQPMJJ-MWLCHTKSSA-N 0 0 291.311 0.880 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000281047521 195082438 /nfs/dbraw/zinc/08/24/38/195082438.db2.gz HQGNHOLHEKUMJL-MNOVXSKESA-N 0 0 294.311 0.880 20 5 CCBDRN Nc1nccc(C(=O)NC[C@@H]2CC23CC3)c1[N+](=O)[O-] ZINC000571820826 291840297 /nfs/dbraw/zinc/84/02/97/291840297.db2.gz WWUMOMWOESPLFA-ZETCQYMHSA-N 0 0 262.269 0.932 20 5 CCBDRN CNC(=O)c1ccc(N(C)[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000281136489 195119187 /nfs/dbraw/zinc/11/91/87/195119187.db2.gz ZJAFWKLIVSGMRU-MRVPVSSYSA-N 0 0 295.295 0.952 20 5 CCBDRN CNc1nc(C(=O)N2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454440505 533073872 /nfs/dbraw/zinc/07/38/72/533073872.db2.gz JLIVJEBQYLVTGJ-MRVPVSSYSA-N 0 0 280.284 0.892 20 5 CCBDRN CNc1nc(C(=O)N[C@H](C)COC)ccc1[N+](=O)[O-] ZINC000456017503 533079224 /nfs/dbraw/zinc/07/92/24/533079224.db2.gz NQVNXIROJVGNAL-SSDOTTSWSA-N 0 0 268.273 0.796 20 5 CCBDRN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C(N)=O)C1 ZINC000249576159 285128044 /nfs/dbraw/zinc/12/80/44/285128044.db2.gz POFPSMWFOJBDIH-MWLCHTKSSA-N 0 0 281.316 0.377 20 5 CCBDRN COCCOCCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000299674088 533084702 /nfs/dbraw/zinc/08/47/02/533084702.db2.gz QBTGDVFBEVMKQQ-UHFFFAOYSA-N 0 0 298.295 0.996 20 5 CCBDRN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C(N)=O)C1 ZINC000249601218 285132517 /nfs/dbraw/zinc/13/25/17/285132517.db2.gz YHCSVEYLQCSGEQ-NXEZZACHSA-N 0 0 281.316 0.377 20 5 CCBDRN COC[C@H](O)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413214454 533113695 /nfs/dbraw/zinc/11/36/95/533113695.db2.gz LXGFSIHJMHUUFS-MRVPVSSYSA-N 0 0 259.237 0.938 20 5 CCBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCN2C(=O)NC[C@@H]2C1 ZINC000288987188 197206032 /nfs/dbraw/zinc/20/60/32/197206032.db2.gz VPRJXUGBNVXEKT-SECBINFHSA-N 0 0 294.315 0.333 20 5 CCBDRN O=[N+]([O-])c1cccnc1N[C@H]1CCc2nnnn2CC1 ZINC000420641466 285167000 /nfs/dbraw/zinc/16/70/00/285167000.db2.gz NOLBZHDSKXERHV-QMMMGPOBSA-N 0 0 275.272 0.793 20 5 CCBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C(N)=O ZINC000427470975 533133334 /nfs/dbraw/zinc/13/33/34/533133334.db2.gz JOFDNENDGONPNS-SNVBAGLBSA-N 0 0 293.279 0.693 20 5 CCBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCNC1=O ZINC000427703650 533134118 /nfs/dbraw/zinc/13/41/18/533134118.db2.gz GGOUKTQYJFRSRZ-SNVBAGLBSA-N 0 0 293.279 0.564 20 5 CCBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NCCn1ncnn1 ZINC000427626663 533135348 /nfs/dbraw/zinc/13/53/48/533135348.db2.gz RRPZSLLMQXMMEA-UHFFFAOYSA-N 0 0 292.255 0.020 20 5 CCBDRN CCCC[C@H]1NC(=O)N(Cc2c([N+](=O)[O-])ncn2C)C1=O ZINC000572693192 291896905 /nfs/dbraw/zinc/89/69/05/291896905.db2.gz PNULPEZHCBHFPQ-MRVPVSSYSA-N 0 0 295.299 0.939 20 5 CCBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@]1(O)CCOC1 ZINC000288564914 197113713 /nfs/dbraw/zinc/11/37/13/197113713.db2.gz DNOZZXMDILNMDL-LLVKDONJSA-N 0 0 270.289 0.683 20 5 CCBDRN COC(=O)[C@H](CF)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000288353685 197057296 /nfs/dbraw/zinc/05/72/96/197057296.db2.gz PWFPAJAKFCJCAT-QMMMGPOBSA-N 0 0 285.231 0.418 20 5 CCBDRN CCN1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC000188037739 285223117 /nfs/dbraw/zinc/22/31/17/285223117.db2.gz OYCYVWOQMYRGSC-UHFFFAOYSA-N 0 0 281.272 0.012 20 5 CCBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@H](C(=O)NC)C1 ZINC000288298481 197046637 /nfs/dbraw/zinc/04/66/37/197046637.db2.gz BYNKAOWFNQUXIB-VIFPVBQESA-N 0 0 297.315 0.071 20 5 CCBDRN COc1ccc(C(=O)N2C[C@@H](O)[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000395424202 285226101 /nfs/dbraw/zinc/22/61/01/285226101.db2.gz NFEOPEZQEZROSO-ZYHUDNBSSA-N 0 0 296.279 0.435 20 5 CCBDRN CCOC1CC(N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000288204847 197026490 /nfs/dbraw/zinc/02/64/90/197026490.db2.gz IMIMFZYCHPTKLV-UHFFFAOYSA-N 0 0 282.300 0.968 20 5 CCBDRN CO[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000396130294 285230643 /nfs/dbraw/zinc/23/06/43/285230643.db2.gz ZRJRZCVHPYTANH-GHMZBOCLSA-N 0 0 281.268 0.818 20 5 CCBDRN 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0 0 294.315 0.272 20 5 CCBDRN Cc1nn(C)c(N2CCN(C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000275035638 353181181 /nfs/dbraw/zinc/18/11/81/353181181.db2.gz PFGUPUXXROEGME-VIFPVBQESA-N 0 0 283.332 0.140 20 5 CCBDRN Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000275239922 353198517 /nfs/dbraw/zinc/19/85/17/353198517.db2.gz SAVDRISVUDMSJL-RKDXNWHRSA-N 0 0 282.300 0.907 20 5 CCBDRN CCCc1n[nH]c(C(=O)NC[C@H](O)COC)c1[N+](=O)[O-] ZINC000154165261 188126614 /nfs/dbraw/zinc/12/66/14/188126614.db2.gz SSYILKUGJFIDBX-ZETCQYMHSA-N 0 0 286.288 0.008 20 5 CCBDRN COc1cc(N(C)CC(N)=O)c(F)cc1[N+](=O)[O-] ZINC000277341870 353238174 /nfs/dbraw/zinc/23/81/74/353238174.db2.gz ZILWRPMJMJTRMM-UHFFFAOYSA-N 0 0 257.221 0.664 20 5 CCBDRN CCS(=O)(=O)NCCCn1cc([N+](=O)[O-])ccc1=O ZINC000155283260 188196342 /nfs/dbraw/zinc/19/63/42/188196342.db2.gz BNVOMVNXPLPTAW-UHFFFAOYSA-N 0 0 289.313 0.086 20 5 CCBDRN CCOCC[C@H](O)Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000277599980 353253729 /nfs/dbraw/zinc/25/37/29/353253729.db2.gz 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UBUBZCHOPVIQNH-SCZZXKLOSA-N 0 0 282.300 0.873 20 5 CCBDRN C[C@H]1C[C@H](CO)CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000574293166 335008228 /nfs/dbraw/zinc/00/82/28/335008228.db2.gz YVUIJTBBVICQSP-IUCAKERBSA-N 0 0 294.311 0.493 20 5 CCBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(=O)N(C)C1 ZINC000330731936 203163808 /nfs/dbraw/zinc/16/38/08/203163808.db2.gz KVPAGYRIMDAWDI-UHFFFAOYSA-N 0 0 299.308 0.323 20 5 CCBDRN C[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H]1CO ZINC000330735880 203170471 /nfs/dbraw/zinc/17/04/71/203170471.db2.gz MXBLJHKOMGQXGQ-CMPLNLGQSA-N 0 0 296.327 0.801 20 5 CCBDRN COc1ccc(NC(=O)[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000330833378 203291259 /nfs/dbraw/zinc/29/12/59/203291259.db2.gz ZLJMETVFEHKPOE-LLVKDONJSA-N 0 0 282.252 0.957 20 5 CCBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCS(=O)(=O)C1 ZINC000330862670 203325606 /nfs/dbraw/zinc/32/56/06/203325606.db2.gz AEHZOSYZSNWYTO-JTQLQIEISA-N 0 0 298.320 0.441 20 5 CCBDRN COc1cc(CCNC(=O)[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000276189520 193237687 /nfs/dbraw/zinc/23/76/87/193237687.db2.gz ZKCUETDCYUMKJH-MRVPVSSYSA-N 0 0 298.295 0.652 20 5 CCBDRN CO[C@@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000276147418 193225526 /nfs/dbraw/zinc/22/55/26/193225526.db2.gz GAROEOGPXHQBSN-FSPLSTOPSA-N 0 0 256.262 0.780 20 5 CCBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)NOC[C@H]1CCOC1 ZINC000276289137 193272530 /nfs/dbraw/zinc/27/25/30/193272530.db2.gz QTMXRPLUHAMDAU-VIFPVBQESA-N 0 0 299.287 0.059 20 5 CCBDRN C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1nncn1C ZINC000276438167 193330753 /nfs/dbraw/zinc/33/07/53/193330753.db2.gz KEUWDBAPHBBWMA-LURJTMIESA-N 0 0 278.276 0.311 20 5 CCBDRN COCC1=CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000331076204 203520382 /nfs/dbraw/zinc/52/03/82/203520382.db2.gz VQVWELZJBMIXGA-UHFFFAOYSA-N 0 0 294.311 0.905 20 5 CCBDRN O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)C2COC2)c1 ZINC000276848445 193478943 /nfs/dbraw/zinc/47/89/43/193478943.db2.gz DDTVIRKRTLYRQM-UHFFFAOYSA-N 0 0 287.249 0.515 20 5 CCBDRN Cc1c(C(=O)N2CC(=O)N[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331309212 291490812 /nfs/dbraw/zinc/49/08/12/291490812.db2.gz GDJXMHXWPZVLOX-QMMMGPOBSA-N 0 0 277.280 0.864 20 5 CCBDRN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C1COC1 ZINC000276911973 193496991 /nfs/dbraw/zinc/49/69/91/193496991.db2.gz NLOXVDUYKMGEPY-UHFFFAOYSA-N 0 0 286.309 0.755 20 5 CCBDRN CCc1nn(C)c(N[C@@H](C)Cn2cncn2)c1[N+](=O)[O-] ZINC000277091143 193551555 /nfs/dbraw/zinc/55/15/55/193551555.db2.gz KTPXPHMBXXVSPK-QMMMGPOBSA-N 0 0 279.304 0.983 20 5 CCBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C(N)=O)C1 ZINC000277145012 193566593 /nfs/dbraw/zinc/56/65/93/193566593.db2.gz POKFNDINDHIMBP-QMMMGPOBSA-N 0 0 293.279 0.551 20 5 CCBDRN CN1CCO[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000331556209 203962933 /nfs/dbraw/zinc/96/29/33/203962933.db2.gz UNOGZSRDUWZYRZ-ZJUUUORDSA-N 0 0 297.336 0.811 20 5 CCBDRN CO[C@](C)(CNC(=O)c1c([N+](=O)[O-])cnn1C)C1CC1 ZINC000331689761 204078122 /nfs/dbraw/zinc/07/81/22/204078122.db2.gz SHUUPLLIQRGSGG-GFCCVEGCSA-N 0 0 282.300 0.873 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000331841050 204221909 /nfs/dbraw/zinc/22/19/09/204221909.db2.gz MEEYXLULTYMKMS-MRVPVSSYSA-N 0 0 279.252 0.635 20 5 CCBDRN CC(C)N(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000331978364 204354889 /nfs/dbraw/zinc/35/48/89/204354889.db2.gz XJGZGYVJVCBCQI-UHFFFAOYSA-N 0 0 253.262 0.586 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(C)C1 ZINC000332014068 204390292 /nfs/dbraw/zinc/39/02/92/204390292.db2.gz RVYZQYQOTJRZRW-UHFFFAOYSA-N 0 0 252.274 0.968 20 5 CCBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)NCCF ZINC000336985557 213815985 /nfs/dbraw/zinc/81/59/85/213815985.db2.gz HYKVXGVGKMMJIC-QMMMGPOBSA-N 0 0 298.274 0.502 20 5 CCBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC(CO)C1 ZINC000332433996 204692591 /nfs/dbraw/zinc/69/25/91/204692591.db2.gz IFPQFHLKWTXUJO-UHFFFAOYSA-N 0 0 286.234 0.866 20 5 CCBDRN C[C@H](NC(=O)NC(C)(CO)CO)c1ccc([N+](=O)[O-])cc1 ZINC000568016506 291546854 /nfs/dbraw/zinc/54/68/54/291546854.db2.gz DXUGIAGEMZAKOO-VIFPVBQESA-N 0 0 297.311 0.698 20 5 CCBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000408106826 296187667 /nfs/dbraw/zinc/18/76/67/296187667.db2.gz USAJZDZRJTZUAP-UWVGGRQHSA-N 0 0 296.283 0.338 20 5 CCBDRN Nc1nccc(C(=O)N2CCC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000574412365 335017920 /nfs/dbraw/zinc/01/79/20/335017920.db2.gz ARMVFYVXQYVRQJ-SSDOTTSWSA-N 0 0 268.248 0.976 20 5 CCBDRN CC[C@H]1C[N@H+](C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000574427714 335019049 /nfs/dbraw/zinc/01/90/49/335019049.db2.gz FXQUIKIRSQYAPE-JTQLQIEISA-N 0 0 281.316 0.344 20 5 CCBDRN COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000274834221 291575886 /nfs/dbraw/zinc/57/58/86/291575886.db2.gz UWXJQSFAXUCUHA-SFYZADRCSA-N 0 0 296.283 0.732 20 5 CCBDRN COc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cn1 ZINC000048244591 284479118 /nfs/dbraw/zinc/47/91/18/284479118.db2.gz SNIQARKFLDIBDC-UHFFFAOYSA-N 0 0 278.228 0.229 20 5 CCBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(CC(N)=O)C(C)C)c1 ZINC000067298983 284545003 /nfs/dbraw/zinc/54/50/03/284545003.db2.gz HJZGXEHCBLQGNO-UHFFFAOYSA-N 0 0 295.295 0.939 20 5 CCBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C(N)=O)C1 ZINC000266518918 296240604 /nfs/dbraw/zinc/24/06/04/296240604.db2.gz HPOYCCXNYGMUPT-JOYOIKCWSA-N 0 0 279.296 0.842 20 5 CCBDRN COCCOC[C@@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445001087 249027236 /nfs/dbraw/zinc/02/72/36/249027236.db2.gz RUOWYJZBHMWSNX-MRVPVSSYSA-N 0 0 299.283 0.477 20 5 CCBDRN C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000445131122 249029235 /nfs/dbraw/zinc/02/92/35/249029235.db2.gz CLUJMHIJWQIRMV-LURJTMIESA-N 0 0 277.240 0.910 20 5 CCBDRN CNc1nc(C(=O)NC[C@@H](O)C(F)F)ccc1[N+](=O)[O-] ZINC000455967211 249031759 /nfs/dbraw/zinc/03/17/59/249031759.db2.gz HSOFXZKJZHTZPL-SSDOTTSWSA-N 0 0 290.226 0.387 20 5 CCBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@](O)(CO)C1 ZINC000313640502 249000275 /nfs/dbraw/zinc/00/02/75/249000275.db2.gz PXBROFKLBXJULW-LBPRGKRZSA-N 0 0 267.285 0.622 20 5 CCBDRN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)[C@@H](CO)C1 ZINC000459700852 249055160 /nfs/dbraw/zinc/05/51/60/249055160.db2.gz KISGLFMCJHCQDM-YPMHNXCESA-N 0 0 296.323 0.779 20 5 CCBDRN CO[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C(=O)[O-])C1 ZINC000515672873 249143005 /nfs/dbraw/zinc/14/30/05/249143005.db2.gz KYVZKZUYMPIMCU-VHSXEESVSA-N 0 0 298.299 0.355 20 5 CCBDRN COC(=O)c1cccc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000517215029 249208456 /nfs/dbraw/zinc/20/84/56/249208456.db2.gz FFWZWIWTMNFGSE-UHFFFAOYSA-N 0 0 263.213 0.416 20 5 CCBDRN COC(=O)CCC(=O)COc1cccnc1[N+](=O)[O-] ZINC000278325355 193920178 /nfs/dbraw/zinc/92/01/78/193920178.db2.gz WBVPYNVRODIPMO-UHFFFAOYSA-N 0 0 268.225 0.891 20 5 CCBDRN CC(=O)N1CC(Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000574703045 335041459 /nfs/dbraw/zinc/04/14/59/335041459.db2.gz DZJOFCQTRCDVBT-UHFFFAOYSA-N 0 0 251.246 0.336 20 5 CCBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1COC[C@H]1OC ZINC000569690379 291700033 /nfs/dbraw/zinc/70/00/33/291700033.db2.gz SJQSMHFMVYSMGU-RKDXNWHRSA-N 0 0 270.289 0.945 20 5 CCBDRN CN(CC(C)(CO)CO)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000127380643 284738470 /nfs/dbraw/zinc/73/84/70/284738470.db2.gz LVJQWSHQFJKDGQ-UHFFFAOYSA-N 0 0 296.323 0.587 20 5 CCBDRN CC1(C)CC[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)O1 ZINC000278789434 194155363 /nfs/dbraw/zinc/15/53/63/194155363.db2.gz QCYNSYPOEFAICZ-JTQLQIEISA-N 0 0 282.300 0.865 20 5 CCBDRN Cc1ccn(CC(=O)NC[C@H]2CCCO2)c(=O)c1[N+](=O)[O-] ZINC000129817901 284776070 /nfs/dbraw/zinc/77/60/70/284776070.db2.gz GKCXFCJFWCQCTE-SNVBAGLBSA-N 0 0 295.295 0.360 20 5 CCBDRN COC1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000331903190 284776488 /nfs/dbraw/zinc/77/64/88/284776488.db2.gz FLIOXOQPFQWREK-UHFFFAOYSA-N 0 0 290.272 0.753 20 5 CCBDRN O=C1CN(CCn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000279051053 194264121 /nfs/dbraw/zinc/26/41/21/194264121.db2.gz DMDNTNCHUFUEFV-UHFFFAOYSA-N 0 0 265.273 0.055 20 5 CCBDRN COC(=O)Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000570331961 291749453 /nfs/dbraw/zinc/74/94/53/291749453.db2.gz VZMAESXUIDFJRS-UHFFFAOYSA-N 0 0 266.253 0.808 20 5 CCBDRN CS(=O)(=O)C1(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000279234338 194345772 /nfs/dbraw/zinc/34/57/72/194345772.db2.gz FFGUSZQHXQDDSO-UHFFFAOYSA-N 0 0 298.320 0.788 20 5 CCBDRN COc1cc(N2CC(C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000574752087 335044611 /nfs/dbraw/zinc/04/46/11/335044611.db2.gz CLRJYOVLFLKWEX-UHFFFAOYSA-N 0 0 265.269 0.915 20 5 CCBDRN C[C@@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279358158 194399289 /nfs/dbraw/zinc/39/92/89/194399289.db2.gz FUQOFVIPAXOJDD-ZCFIWIBFSA-N 0 0 296.258 0.277 20 5 CCBDRN CC1(C)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1O ZINC000279348595 194395525 /nfs/dbraw/zinc/39/55/25/194395525.db2.gz OQCLKTFRRNRWNW-SSDOTTSWSA-N 0 0 254.246 0.161 20 5 CCBDRN CNc1ccc(C(=O)N[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000230655264 284951497 /nfs/dbraw/zinc/95/14/97/284951497.db2.gz LDSUJWVXKXIPLP-MRVPVSSYSA-N 0 0 278.268 0.255 20 5 CCBDRN 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O=[N+]([O-])c1ccc2ncc(NC[C@@H](O)CO)nc2c1 ZINC001155642750 822211997 /nfs/dbraw/zinc/21/19/97/822211997.db2.gz DFOMBCGWAMJQQN-MRVPVSSYSA-N 0 0 264.241 0.303 20 5 CCBDRN Cc1ccnc(-n2[n-]c(=O)nc2C[NH3+])c1[N+](=O)[O-] ZINC001157933281 837731477 /nfs/dbraw/zinc/73/14/77/837731477.db2.gz RBJDMRCGDMIBHF-UHFFFAOYSA-N 0 0 250.218 0.043 20 5 CCBDRN [NH3+]Cc1nc(=O)[n-]n1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001157933284 837732449 /nfs/dbraw/zinc/73/24/49/837732449.db2.gz RCPGQHCUDUOPDK-UHFFFAOYSA-N 0 0 287.239 0.283 20 5 CCBDRN CC1(C)OCC(Nc2nccnc2[N+](=O)[O-])CO1 ZINC001168899588 836033296 /nfs/dbraw/zinc/03/32/96/836033296.db2.gz MCVINHBPSXIQCD-UHFFFAOYSA-N 0 0 254.246 0.948 20 5 CCBDRN Cc1cc(N)n(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)c(=O)c1 ZINC001168979554 836077262 /nfs/dbraw/zinc/07/72/62/836077262.db2.gz ZEKFUMXBGMTIGS-UWVGGRQHSA-N 0 0 266.301 0.728 20 5 CCBDRN Cc1cc(N)n(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(=O)c1 ZINC001168979553 836077528 /nfs/dbraw/zinc/07/75/28/836077528.db2.gz 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Cc1nc(Cl)nc(NC2(CO)COC2)c1[N+](=O)[O-] ZINC001157392316 836981438 /nfs/dbraw/zinc/98/14/38/836981438.db2.gz RCROLELFGGDNCK-UHFFFAOYSA-N 0 0 274.664 0.520 20 5 CCBDRN C[C@@H]1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])c2nccn21 ZINC001158065244 837909700 /nfs/dbraw/zinc/90/97/00/837909700.db2.gz QCBZNPHSMBDOKR-SVRRBLITSA-N 0 0 276.256 0.950 20 5 CCBDRN CC(=O)N[C@H]1C[C@H](Nc2nccnc2[N+](=O)[O-])C1 ZINC001170576530 838171514 /nfs/dbraw/zinc/17/15/14/838171514.db2.gz LVPAYGCZLHUCRD-ZKCHVHJHSA-N 0 0 251.246 0.464 20 5 CCBDRN CC(=O)N[C@H]1C[C@H](Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001170576581 838171666 /nfs/dbraw/zinc/17/16/66/838171666.db2.gz OPCWDBNRZOLOBQ-ZKCHVHJHSA-N 0 0 284.247 0.446 20 5 CCBDRN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1COC(=O)N1 ZINC001132962845 838524286 /nfs/dbraw/zinc/52/42/86/838524286.db2.gz IZDRHJDFKXEBKC-LURJTMIESA-N 0 0 282.212 0.045 20 5 CCBDRN C[C@@H](COC(=O)c1cc(C(N)=O)cs1)[N+](=O)[O-] ZINC000813100899 838676299 /nfs/dbraw/zinc/67/62/99/838676299.db2.gz 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C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[C@@H]1O ZINC000230956776 839881112 /nfs/dbraw/zinc/88/11/12/839881112.db2.gz SVHJAEJHPJAIOO-XCBNKYQSSA-N 0 0 280.284 0.415 20 5 CCBDRN C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001186101921 844510161 /nfs/dbraw/zinc/51/01/61/844510161.db2.gz GNIJGODBHANUNN-QMMMGPOBSA-N 0 0 288.329 0.199 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](O)CC[C@H]2C)n1 ZINC001144977818 840220841 /nfs/dbraw/zinc/22/08/41/840220841.db2.gz FCQLBABETYLFEZ-RKDXNWHRSA-N 0 0 282.300 0.797 20 5 CCBDRN Cc1cc([N+](=O)[O-])cc(C(=O)NCCOC(=O)N(C)C)n1 ZINC001146319613 840288329 /nfs/dbraw/zinc/28/83/29/840288329.db2.gz JCDCQWYEJNSFOX-UHFFFAOYSA-N 0 0 296.283 0.726 20 5 CCBDRN CNC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC001186763351 844594983 /nfs/dbraw/zinc/59/49/83/844594983.db2.gz BRUPSGYRUKZTTF-QMMMGPOBSA-N 0 0 250.258 0.562 20 5 CCBDRN O=c1ccncn1CCNc1ncc([N+](=O)[O-])cc1F ZINC001186793200 844601908 /nfs/dbraw/zinc/60/19/08/844601908.db2.gz 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/nfs/dbraw/zinc/56/63/31/841566331.db2.gz FUMWQKOAPXJGKJ-UHFFFAOYSA-N 0 0 291.271 0.258 20 5 CCBDRN Cc1cc(NCCNC(=O)c2cn[nH]n2)ncc1[N+](=O)[O-] ZINC001094243505 841568904 /nfs/dbraw/zinc/56/89/04/841568904.db2.gz RXQZKIWFVVGASM-UHFFFAOYSA-N 0 0 291.271 0.258 20 5 CCBDRN CNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037207042 841641954 /nfs/dbraw/zinc/64/19/54/841641954.db2.gz KNLUTNKNLQASLL-UHFFFAOYSA-N 0 0 271.660 0.724 20 5 CCBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)C ZINC000037226403 841645875 /nfs/dbraw/zinc/64/58/75/841645875.db2.gz WKXQHDPUSCJCAB-UHFFFAOYSA-N 0 0 282.252 0.883 20 5 CCBDRN O=C(NCC1OCCCO1)c1cc([N+](=O)[O-])c[nH]1 ZINC000716399853 841652866 /nfs/dbraw/zinc/65/28/66/841652866.db2.gz VCGQBYOTWHDPHA-UHFFFAOYSA-N 0 0 255.230 0.416 20 5 CCBDRN O=C(NCCCNc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC001094533078 841659921 /nfs/dbraw/zinc/65/99/21/841659921.db2.gz GNKGRULGWJRJRG-UHFFFAOYSA-N 0 0 290.283 0.945 20 5 CCBDRN NC(=O)c1ccnc([N-]c2nccnc2C[NH3+])c1[N+](=O)[O-] 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268.273 0.662 20 5 CCBDRN C[C@@H]1CCNC(=O)[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357687785 144112628 /nfs/dbraw/zinc/11/26/28/144112628.db2.gz RYIWQRBGMGZDJH-SVRRBLITSA-N 0 0 293.283 0.025 20 5 CCBDRN CC[C@H]1CN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000357693647 144113204 /nfs/dbraw/zinc/11/32/04/144113204.db2.gz VPDCOHXHXZCKGG-KWQFWETISA-N 0 0 295.295 0.984 20 5 CCBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCCOC1 ZINC000357849736 144126729 /nfs/dbraw/zinc/12/67/29/144126729.db2.gz LTVPWRONNDMCNX-IUCAKERBSA-N 0 0 282.300 0.873 20 5 CCBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1ccon1 ZINC000357861530 144127545 /nfs/dbraw/zinc/12/75/45/144127545.db2.gz YAKLVSVXGIBGAO-LURJTMIESA-N 0 0 265.229 0.807 20 5 CCBDRN COC(=O)C(C)(C)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000357931797 144134720 /nfs/dbraw/zinc/13/47/20/144134720.db2.gz WOGCKVBDDIQUJB-UHFFFAOYSA-N 0 0 270.289 0.675 20 5 CCBDRN COCCOC[C@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000358025867 144142797 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NC(=O)[C@]1(O)CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000618682510 366075371 /nfs/dbraw/zinc/07/53/71/366075371.db2.gz TVMHHUSXVORRCK-VIFPVBQESA-N 0 0 257.271 0.083 20 5 CCBDRN CC[C@@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])C(N)=O ZINC000291733397 198073979 /nfs/dbraw/zinc/07/39/79/198073979.db2.gz RTHRISXFLOERIB-SECBINFHSA-N 0 0 281.268 0.597 20 5 CCBDRN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)OCCO ZINC000291735829 198075458 /nfs/dbraw/zinc/07/54/58/198075458.db2.gz IRCIALSKTWNGFN-UHFFFAOYSA-N 0 0 271.273 0.440 20 5 CCBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H]1C1CC1 ZINC000122471499 187033944 /nfs/dbraw/zinc/03/39/44/187033944.db2.gz QTCNLOHXIKONMP-MNOVXSKESA-N 0 0 264.285 0.954 20 5 CCBDRN O=C(N[C@H]1CC[C@H](O)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193777597 351844026 /nfs/dbraw/zinc/84/40/26/351844026.db2.gz MOSKZFDKOMBJMB-DTORHVGOSA-N 0 0 281.268 0.729 20 5 CCBDRN C[C@@H](CCO)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000122654629 187044084 /nfs/dbraw/zinc/04/40/84/187044084.db2.gz 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C[C@@H](O)C[C@@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000228197834 352070786 /nfs/dbraw/zinc/07/07/86/352070786.db2.gz IUPFGAZGANYGNA-HTQZYQBOSA-N 0 0 256.262 0.067 20 5 CCBDRN COC(=O)[C@H](O)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000227051269 352037389 /nfs/dbraw/zinc/03/73/89/352037389.db2.gz SLAPQUPIHGVYND-SNVBAGLBSA-N 0 0 282.252 0.167 20 5 CCBDRN CN(CC(F)F)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230695924 352118081 /nfs/dbraw/zinc/11/80/81/352118081.db2.gz RQLUIRKFCXLMCG-UHFFFAOYSA-N 0 0 260.200 0.909 20 5 CCBDRN CNC(=O)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230720496 352118506 /nfs/dbraw/zinc/11/85/06/352118506.db2.gz ICSWPWQBVVKFOT-UHFFFAOYSA-N 0 0 295.299 0.074 20 5 CCBDRN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])cnc2N)CCOC1 ZINC000230720736 352118551 /nfs/dbraw/zinc/11/85/51/352118551.db2.gz GEPGBXZTETXNOB-LLVKDONJSA-N 0 0 266.257 0.481 20 5 CCBDRN O=C(NC1(CO)CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000230908193 352122540 /nfs/dbraw/zinc/12/25/40/352122540.db2.gz HXEIKAGWEYAXAT-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/17/11/82/352171182.db2.gz GZBDBUZNOHFCDQ-MRVPVSSYSA-N 0 0 299.283 0.850 20 5 CCBDRN COC[C@@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000234842928 352174409 /nfs/dbraw/zinc/17/44/09/352174409.db2.gz SPKZKURGDKSGGT-SECBINFHSA-N 0 0 272.232 0.471 20 5 CCBDRN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)[C@@H](O)C1 ZINC000234885195 352176716 /nfs/dbraw/zinc/17/67/16/352176716.db2.gz FCBHPEYWIGJTEE-QWRGUYRKSA-N 0 0 268.269 0.141 20 5 CCBDRN Cn1nnc(CNCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000236096591 352191124 /nfs/dbraw/zinc/19/11/24/352191124.db2.gz XOPJMSOGRSEWPN-UHFFFAOYSA-N 0 0 262.273 0.451 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000236080381 352191373 /nfs/dbraw/zinc/19/13/73/352191373.db2.gz WZRZUAYIZCRIAL-PSASIEDQSA-N 0 0 267.285 0.824 20 5 CCBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000356719244 282807982 /nfs/dbraw/zinc/80/79/82/282807982.db2.gz ZSNWEFPKTQCERP-MRVPVSSYSA-N 0 0 290.283 0.339 20 5 CCBDRN Cn1[nH]c(=O)c2c1CN(c1ccncc1[N+](=O)[O-])CC2 ZINC000603414528 363118653 /nfs/dbraw/zinc/11/86/53/363118653.db2.gz BKNUHRNMAAIIMG-UHFFFAOYSA-N 0 0 275.268 0.992 20 5 CCBDRN O=[N+]([O-])c1cccc(F)c1NC[C@@]1(CO)COCCN1 ZINC000603420324 363123475 /nfs/dbraw/zinc/12/34/75/363123475.db2.gz RSSQOTPQHSSUAT-GFCCVEGCSA-N 0 0 285.275 0.497 20 5 CCBDRN O=[N+]([O-])c1sccc1NC[C@]1(CO)COCCN1 ZINC000603420386 363124308 /nfs/dbraw/zinc/12/43/08/363124308.db2.gz UFSFHZSPZJIVKB-JTQLQIEISA-N 0 0 273.314 0.419 20 5 CCBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@]2(O)C1 ZINC000603433713 363131447 /nfs/dbraw/zinc/13/14/47/363131447.db2.gz VOXTUIIRJJHJEB-FZMZJTMJSA-N 0 0 291.307 0.914 20 5 CCBDRN CCOCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000603932311 363172277 /nfs/dbraw/zinc/17/22/77/363172277.db2.gz CNOQSYKTBDXWRY-UHFFFAOYSA-N 0 0 289.313 0.691 20 5 CCBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NC2=NCC(=O)N2)c1 ZINC000604185051 363181187 /nfs/dbraw/zinc/18/11/87/363181187.db2.gz URWQFKYPODEUGV-UHFFFAOYSA-N 0 0 294.292 0.532 20 5 CCBDRN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354662831 137586866 /nfs/dbraw/zinc/58/68/66/137586866.db2.gz PHCHWOJUNWETSL-ZETCQYMHSA-N 0 0 293.283 0.059 20 5 CCBDRN COc1c(C(=O)NC[C@@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000354791953 137593882 /nfs/dbraw/zinc/59/38/82/137593882.db2.gz VZPDHVDZPRZCIT-SECBINFHSA-N 0 0 296.279 0.749 20 5 CCBDRN NC(=O)[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000264875824 352603906 /nfs/dbraw/zinc/60/39/06/352603906.db2.gz IVPIYWVVZZGKDX-VIFPVBQESA-N 0 0 292.295 0.515 20 5 CCBDRN Cc1c(C(=O)N[C@H]2CCN(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000264984070 352612020 /nfs/dbraw/zinc/61/20/20/352612020.db2.gz AQWHFGLVQGZWBL-VIFPVBQESA-N 0 0 292.295 0.786 20 5 CCBDRN CC(=O)NC[C@H]1CN(c2ccccc2[N+](=O)[O-])CCO1 ZINC000265509726 352643484 /nfs/dbraw/zinc/64/34/84/352643484.db2.gz ZKJQTMZJBXFFTR-NSHDSACASA-N 0 0 279.296 0.936 20 5 CCBDRN CN(c1ncccc1[N+](=O)[O-])[C@@H]1CCN(C)C1=O ZINC000265585158 352647732 /nfs/dbraw/zinc/64/77/32/352647732.db2.gz OINPWIUXYMIHLB-SECBINFHSA-N 0 0 250.258 0.657 20 5 CCBDRN C[C@@H](O)[C@H](C)Sc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000266197105 352688906 /nfs/dbraw/zinc/68/89/06/352688906.db2.gz ICPWWRTUHNDULR-RITPCOANSA-N 0 0 271.298 0.950 20 5 CCBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[C@H]1O ZINC000266285966 352695316 /nfs/dbraw/zinc/69/53/16/352695316.db2.gz PPKUNRBSONNGOQ-GXSJLCMTSA-N 0 0 282.300 0.459 20 5 CCBDRN Cc1nsc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000266468673 352704512 /nfs/dbraw/zinc/70/45/12/352704512.db2.gz ZWOPFXAQRKCUPB-UHFFFAOYSA-N 0 0 268.258 0.590 20 5 CCBDRN C[C@@H]1OCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000135243646 187810848 /nfs/dbraw/zinc/81/08/48/187810848.db2.gz WJTATZVPIIGCRC-WPRPVWTQSA-N 0 0 281.268 0.050 20 5 CCBDRN CCC[C@@](C)(O)CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000266550540 352710528 /nfs/dbraw/zinc/71/05/28/352710528.db2.gz OISZMDFDZJMSFV-GFCCVEGCSA-N 0 0 284.316 0.767 20 5 CCBDRN C[C@H](O)CC(C)(C)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000266726669 352717090 /nfs/dbraw/zinc/71/70/90/352717090.db2.gz KGSZJSXKNNQESK-VIFPVBQESA-N 0 0 284.316 0.705 20 5 CCBDRN CC(=O)c1ccc(N(CCO)CCO)c([N+](=O)[O-])c1 ZINC000266131272 352684245 /nfs/dbraw/zinc/68/42/45/352684245.db2.gz OMEOZJIYABSJHM-UHFFFAOYSA-N 0 0 268.269 0.588 20 5 CCBDRN O=[N+]([O-])c1c(N(CCO)CCCO)nc2sccn21 ZINC000266146344 352685085 /nfs/dbraw/zinc/68/50/85/352685085.db2.gz RVGMJXWNSKISPC-UHFFFAOYSA-N 0 0 286.313 0.485 20 5 CCBDRN CNC(=O)[C@@H](C)CN(C)c1c([N+](=O)[O-])c(C)nn1C ZINC000267041855 352739963 /nfs/dbraw/zinc/73/99/63/352739963.db2.gz CTKWWODOLYFOLN-ZETCQYMHSA-N 0 0 269.305 0.455 20 5 CCBDRN C[C@H](Cn1cncn1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000267194529 352751311 /nfs/dbraw/zinc/75/13/11/352751311.db2.gz MAQMJSKKDPQOGP-MRVPVSSYSA-N 0 0 290.283 0.587 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NCCn1cccc1 ZINC000267263429 352755034 /nfs/dbraw/zinc/75/50/34/352755034.db2.gz UECTYCSWZSHEBO-UHFFFAOYSA-N 0 0 263.257 0.409 20 5 CCBDRN O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC000555339530 290970470 /nfs/dbraw/zinc/97/04/70/290970470.db2.gz BBKVWVCYSIZPQG-BDAKNGLRSA-N 0 0 293.283 0.201 20 5 CCBDRN COC(=O)c1cc([N+](=O)[O-])cn([C@@H](C)[C@@H](C)O)c1=O ZINC000268486765 352828327 /nfs/dbraw/zinc/82/83/27/352828327.db2.gz KXWLQYIPIYEOFU-NKWVEPMBSA-N 0 0 270.241 0.485 20 5 CCBDRN COC(=O)CN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)C1CC1 ZINC000267767868 352788966 /nfs/dbraw/zinc/78/89/66/352788966.db2.gz ZXOZIHQUVMVECW-UHFFFAOYSA-N 0 0 296.283 0.414 20 5 CCBDRN CO[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000267844744 352793574 /nfs/dbraw/zinc/79/35/74/352793574.db2.gz BMDZJBNQFTXNRS-QMMMGPOBSA-N 0 0 254.246 0.039 20 5 CCBDRN Cc1n[nH]c(C(=O)N[C@H](C)CO[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000268034416 352804918 /nfs/dbraw/zinc/80/49/18/352804918.db2.gz ZQTSLPNNPLIKMG-APPZFPTMSA-N 0 0 298.299 0.550 20 5 CCBDRN CC(=O)C[C@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000269656220 352859816 /nfs/dbraw/zinc/85/98/16/352859816.db2.gz DFXHWRHPFDTZOR-ZETCQYMHSA-N 0 0 254.246 0.275 20 5 CCBDRN Cn1nccc1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000269498756 352831912 /nfs/dbraw/zinc/83/19/12/352831912.db2.gz CDGONROKXSOFCY-UHFFFAOYSA-N 0 0 279.256 0.658 20 5 CCBDRN NC(=O)N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000270728296 352974465 /nfs/dbraw/zinc/97/44/65/352974465.db2.gz QGIQCQTZVQPKIG-ZETCQYMHSA-N 0 0 268.248 0.981 20 5 CCBDRN CCN(CC)C(=O)CN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270780699 352984816 /nfs/dbraw/zinc/98/48/16/352984816.db2.gz TWYIAQRUKFHPQY-UHFFFAOYSA-N 0 0 297.315 0.269 20 5 CCBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H]1O ZINC000270644122 352962538 /nfs/dbraw/zinc/96/25/38/352962538.db2.gz QAWDRTRMLLNQRQ-OIBJUYFYSA-N 0 0 281.268 0.538 20 5 CCBDRN CN(COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000270655418 352963307 /nfs/dbraw/zinc/96/33/07/352963307.db2.gz MXJWAMURJYYCGH-UHFFFAOYSA-N 0 0 260.271 0.823 20 5 CCBDRN Cc1cnc(N(C)CC(C)(CO)CO)c([N+](=O)[O-])c1 ZINC000271065090 353019608 /nfs/dbraw/zinc/01/96/08/353019608.db2.gz CCMXCCCEVILMMX-UHFFFAOYSA-N 0 0 269.301 0.725 20 5 CCBDRN Nc1c([N+](=O)[O-])cnn1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000418895034 234255205 /nfs/dbraw/zinc/25/52/05/234255205.db2.gz BWTDEBZMQUMXDZ-UHFFFAOYSA-N 0 0 276.256 0.795 20 5 CCBDRN Cc1noc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000272457024 353065486 /nfs/dbraw/zinc/06/54/86/353065486.db2.gz BRUOCGXNVOZFQY-UHFFFAOYSA-N 0 0 292.251 0.964 20 5 CCBDRN C[C@H](O)[C@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000272192908 353042498 /nfs/dbraw/zinc/04/24/98/353042498.db2.gz GBFRJIPXFHUVCK-VHSXEESVSA-N 0 0 282.300 0.553 20 5 CCBDRN CCOCCOC1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000272227413 353045356 /nfs/dbraw/zinc/04/53/56/353045356.db2.gz LKLGBMQNOGTREW-UHFFFAOYSA-N 0 0 298.299 0.504 20 5 CCBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCCOC(N)=O)c1 ZINC000272311360 353052303 /nfs/dbraw/zinc/05/23/03/353052303.db2.gz YNHWEDMTMLABCA-UHFFFAOYSA-N 0 0 283.240 0.429 20 5 CCBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H](O)C1 ZINC000272362081 353056248 /nfs/dbraw/zinc/05/62/48/353056248.db2.gz SFJDNCHTPYKHBJ-QMMMGPOBSA-N 0 0 280.236 0.530 20 5 CCBDRN C[C@@]1(O)C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000419009252 234286442 /nfs/dbraw/zinc/28/64/42/234286442.db2.gz WVQBHLYWGAZHMR-DGFRNANFSA-N 0 0 263.257 0.385 20 5 CCBDRN CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000152654468 188035196 /nfs/dbraw/zinc/03/51/96/188035196.db2.gz HHRXRAPPGKBZOR-UHFFFAOYSA-N 0 0 277.280 0.438 20 5 CCBDRN C/C=C/C[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000274595159 353144392 /nfs/dbraw/zinc/14/43/92/353144392.db2.gz RSWAZFHMIJLJSU-HPOULIHZSA-N 0 0 268.273 0.235 20 5 CCBDRN C[C@H](O)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000153063798 188062630 /nfs/dbraw/zinc/06/26/30/188062630.db2.gz CAUYEWHCPYRPSX-VIFPVBQESA-N 0 0 295.295 0.212 20 5 CCBDRN CN(CCn1cc([N+](=O)[O-])cn1)Cc1nccn1C ZINC000153284789 188074082 /nfs/dbraw/zinc/07/40/82/188074082.db2.gz NZJJEMHIAJKLHQ-UHFFFAOYSA-N 0 0 264.289 0.657 20 5 CCBDRN COC(=O)CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274880480 353169575 /nfs/dbraw/zinc/16/95/75/353169575.db2.gz HZRAKSMKYGTXRJ-UHFFFAOYSA-N 0 0 283.240 0.378 20 5 CCBDRN O=C(NC[C@H]1CCOC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274911939 353172170 /nfs/dbraw/zinc/17/21/70/353172170.db2.gz UOZHUXPGLBTVBY-SSDOTTSWSA-N 0 0 267.241 0.462 20 5 CCBDRN NC(=O)[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153709107 188098854 /nfs/dbraw/zinc/09/88/54/188098854.db2.gz PMPYYBQPYZJVML-LURJTMIESA-N 0 0 270.676 0.955 20 5 CCBDRN C[C@@H](O)CN(C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000292333333 198248150 /nfs/dbraw/zinc/24/81/50/198248150.db2.gz NEGDIYNEWADMNV-SSDOTTSWSA-N 0 0 289.313 0.059 20 5 CCBDRN CC(C)N1CC(NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000275171318 353191529 /nfs/dbraw/zinc/19/15/29/353191529.db2.gz AQHVDLZXRIDOHF-UHFFFAOYSA-N 0 0 281.316 0.390 20 5 CCBDRN CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000128692238 137643202 /nfs/dbraw/zinc/64/32/02/137643202.db2.gz CBDRRAUTFMEGIY-ZCFIWIBFSA-N 0 0 254.246 0.073 20 5 CCBDRN O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)C1COC1 ZINC000276964133 353214065 /nfs/dbraw/zinc/21/40/65/353214065.db2.gz VXKFJBHFFMEGPS-UHFFFAOYSA-N 0 0 277.229 0.841 20 5 CCBDRN COC(=O)[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(C)C ZINC000154128290 188124439 /nfs/dbraw/zinc/12/44/39/188124439.db2.gz ZNJNDTHUSXGNBF-ZETCQYMHSA-N 0 0 270.245 0.245 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCC[C@@H]1CCO ZINC000275241745 353198671 /nfs/dbraw/zinc/19/86/71/353198671.db2.gz SIBRISJRJYTHTK-NXEZZACHSA-N 0 0 282.300 0.459 20 5 CCBDRN O=[N+]([O-])c1ccc2c(c1N1CCO[C@H](CO)C1)CCN2 ZINC000276639219 353209610 /nfs/dbraw/zinc/20/96/10/353209610.db2.gz XLCQBKGUDPTLEE-VIFPVBQESA-N 0 0 279.296 0.760 20 5 CCBDRN CCN(C)C(=O)[C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000276948063 353212574 /nfs/dbraw/zinc/21/25/74/353212574.db2.gz RCQRCDSVVKUVJI-LURJTMIESA-N 0 0 268.277 0.246 20 5 CCBDRN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C1CCOCC1 ZINC000155618161 188216383 /nfs/dbraw/zinc/21/63/83/188216383.db2.gz JYDASOQAVNAKDD-ZETCQYMHSA-N 0 0 268.273 0.863 20 5 CCBDRN CCS(=O)(=O)NCCCn1cnc([N+](=O)[O-])c1 ZINC000155374527 188201710 /nfs/dbraw/zinc/20/17/10/188201710.db2.gz GRUKXUNOEAOANM-UHFFFAOYSA-N 0 0 262.291 0.121 20 5 CCBDRN CN(C)S(=O)(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277704080 353260555 /nfs/dbraw/zinc/26/05/55/353260555.db2.gz LTSVNAGMXKQISX-UHFFFAOYSA-N 0 0 299.312 0.367 20 5 CCBDRN CCc1n[nH]c(C(=O)N[C@@H]2CCO[C@H]2C)c1[N+](=O)[O-] ZINC000278403852 353297845 /nfs/dbraw/zinc/29/78/45/353297845.db2.gz LCDVOLXGNSZRQF-POYBYMJQSA-N 0 0 268.273 0.788 20 5 CCBDRN CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157303911 188309235 /nfs/dbraw/zinc/30/92/35/188309235.db2.gz JENFQEQZEHCKFK-SSDOTTSWSA-N 0 0 280.284 0.431 20 5 CCBDRN Cn1cnn(CCC(=O)Nc2cccc([N+](=O)[O-])c2)c1=O ZINC000292604948 198347853 /nfs/dbraw/zinc/34/78/53/198347853.db2.gz GJUYDUIYADYUJX-UHFFFAOYSA-N 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/nfs/dbraw/zinc/73/22/93/353732293.db2.gz GQGFGJBRRDBAQT-IONNQARKSA-N 0 0 282.300 0.908 20 5 CCBDRN CN(C)S(=O)(=O)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000290926419 353758306 /nfs/dbraw/zinc/75/83/06/353758306.db2.gz YEYLCASBPLCGDX-UHFFFAOYSA-N 0 0 288.329 0.480 20 5 CCBDRN C[C@H](O)CN(CCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000291219081 353774373 /nfs/dbraw/zinc/77/43/73/353774373.db2.gz VVKMPYGRCMKKGH-QMMMGPOBSA-N 0 0 258.249 0.913 20 5 CCBDRN CC[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)OC ZINC000290757788 353747239 /nfs/dbraw/zinc/74/72/39/353747239.db2.gz TZKHZTWPNNOVNY-QMMMGPOBSA-N 0 0 268.273 0.926 20 5 CCBDRN CC[C@H](O)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000293590074 353822817 /nfs/dbraw/zinc/82/28/17/353822817.db2.gz BXDMELFYZHZSOU-NSHDSACASA-N 0 0 296.279 0.882 20 5 CCBDRN CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1=O ZINC000293095880 353790447 /nfs/dbraw/zinc/79/04/47/353790447.db2.gz ZAFJPOGFMPVTGR-LLVKDONJSA-N 0 0 295.255 0.288 20 5 CCBDRN COC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H](C)O1 ZINC000294839909 353890627 /nfs/dbraw/zinc/89/06/27/353890627.db2.gz BJBVSPRTWLPPLM-PSASIEDQSA-N 0 0 282.300 0.933 20 5 CCBDRN CCc1nnc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000295435696 353893769 /nfs/dbraw/zinc/89/37/69/353893769.db2.gz VEDUPXZCESHWKN-UHFFFAOYSA-N 0 0 290.283 0.788 20 5 CCBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC1 ZINC000295600665 353906896 /nfs/dbraw/zinc/90/68/96/353906896.db2.gz XFPWDRATCBMZKR-UHFFFAOYSA-N 0 0 288.281 0.582 20 5 CCBDRN COC(=O)c1cc(C)nc(N2CCOCCN2)c1[N+](=O)[O-] ZINC000295670858 353911415 /nfs/dbraw/zinc/91/14/15/353911415.db2.gz KCMTUBDWEBGBJK-UHFFFAOYSA-N 0 0 296.283 0.426 20 5 CCBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCNC1=O ZINC000295681055 353912086 /nfs/dbraw/zinc/91/20/86/353912086.db2.gz SRAXVRCUVWKPSZ-NSHDSACASA-N 0 0 277.280 0.912 20 5 CCBDRN CC(=O)c1cc(N[C@@H]2COC[C@H]2O)ccc1[N+](=O)[O-] ZINC000296147908 353933873 /nfs/dbraw/zinc/93/38/73/353933873.db2.gz XSPNMHLEWSVFLK-ZYHUDNBSSA-N 0 0 266.253 0.969 20 5 CCBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCOC1 ZINC000295499875 353898836 /nfs/dbraw/zinc/89/88/36/353898836.db2.gz NUIURWABNUBMAK-UHFFFAOYSA-N 0 0 286.309 0.757 20 5 CCBDRN COCC1(O)CN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000295512669 353899600 /nfs/dbraw/zinc/89/96/00/353899600.db2.gz HPRYVWPAVXDOTH-UHFFFAOYSA-N 0 0 280.280 0.737 20 5 CCBDRN CCC[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])OC ZINC000295549169 353902201 /nfs/dbraw/zinc/90/22/01/353902201.db2.gz YLRIJUWEDFJHBI-ZETCQYMHSA-N 0 0 256.262 0.863 20 5 CCBDRN CC(=O)NCC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299104799 353991141 /nfs/dbraw/zinc/99/11/41/353991141.db2.gz VQRZVKGQSYESQH-UHFFFAOYSA-N 0 0 294.311 0.911 20 5 CCBDRN O=C1NC(=O)[C@]2(CCCN(c3ccc([N+](=O)[O-])cn3)C2)N1 ZINC000618981439 366138005 /nfs/dbraw/zinc/13/80/05/366138005.db2.gz RYZYHESVFSDYGO-GFCCVEGCSA-N 0 0 291.267 0.168 20 5 CCBDRN Cc1nc(NC[C@H](C)N2CCOCC2)ncc1[N+](=O)[O-] ZINC000296563737 353950997 /nfs/dbraw/zinc/95/09/97/353950997.db2.gz PUCRUNGAGXZEDG-VIFPVBQESA-N 0 0 281.316 0.826 20 5 CCBDRN COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H](C)O1 ZINC000296749995 353957763 /nfs/dbraw/zinc/95/77/63/353957763.db2.gz KLEJKYBQDUCCBX-GMSGAONNSA-N 0 0 296.283 0.460 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000299329230 354009805 /nfs/dbraw/zinc/00/98/05/354009805.db2.gz HQGNHOLHEKUMJL-GHMZBOCLSA-N 0 0 294.311 0.880 20 5 CCBDRN COC(=O)C(C)(C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000299449397 354017315 /nfs/dbraw/zinc/01/73/15/354017315.db2.gz QFVUJSBQYXXSOY-UHFFFAOYSA-N 0 0 270.245 0.308 20 5 CCBDRN CC[C@@](C)(NC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(=O)OC ZINC000299530869 354024336 /nfs/dbraw/zinc/02/43/36/354024336.db2.gz RMWFKDOXFNXBJN-GFCCVEGCSA-N 0 0 298.299 0.708 20 5 CCBDRN COC(=O)CNC(=O)COc1ccc([N+](=O)[O-])cc1OC ZINC000299630964 354033865 /nfs/dbraw/zinc/03/38/65/354033865.db2.gz LABACJZOQCIKGR-UHFFFAOYSA-N 0 0 298.251 0.271 20 5 CCBDRN CC[C@H](CCO)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301378191 354078337 /nfs/dbraw/zinc/07/83/37/354078337.db2.gz XGNUNSNXVVMDKA-SSDOTTSWSA-N 0 0 268.273 0.662 20 5 CCBDRN Nc1nc(-n2cc([N+](=O)[O-])cn2)ncc1[N+](=O)[O-] ZINC000301451361 354079580 /nfs/dbraw/zinc/07/95/80/354079580.db2.gz AFDLGOQLTPHTFQ-UHFFFAOYSA-N 0 0 251.162 0.061 20 5 CCBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H](CO)[C@H](O)C1 ZINC000302732551 354086003 /nfs/dbraw/zinc/08/60/03/354086003.db2.gz NCEPBSHQFBDBQH-GMSGAONNSA-N 0 0 287.703 0.823 20 5 CCBDRN Cc1nn(C)c(C(=O)N[C@H]2CCC[C@@]2(C)CO)c1[N+](=O)[O-] ZINC000305134577 354133226 /nfs/dbraw/zinc/13/32/26/354133226.db2.gz SMGXJAWLKVBFLH-ZANVPECISA-N 0 0 296.327 0.918 20 5 CCBDRN Cc1nn(C)c(C(=O)N[C@@H]2CCC[C@@]2(C)CO)c1[N+](=O)[O-] ZINC000305134575 354133269 /nfs/dbraw/zinc/13/32/69/354133269.db2.gz SMGXJAWLKVBFLH-RNCFNFMXSA-N 0 0 296.327 0.918 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[C@]1(C)CO ZINC000305053093 354126494 /nfs/dbraw/zinc/12/64/94/354126494.db2.gz IDAKIXWMVHURLM-GXFFZTMASA-N 0 0 296.327 0.767 20 5 CCBDRN CC[C@]1(C)COCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000557072530 291021331 /nfs/dbraw/zinc/02/13/31/291021331.db2.gz FNVXULSKEOYDLY-LLVKDONJSA-N 0 0 268.273 0.959 20 5 CCBDRN C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)N(C)C ZINC000330431497 354355932 /nfs/dbraw/zinc/35/59/32/354355932.db2.gz JLYZQACZOPBGGP-QMMMGPOBSA-N 0 0 297.315 0.119 20 5 CCBDRN COCCOC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882999 358486402 /nfs/dbraw/zinc/48/64/02/358486402.db2.gz JNBDXHLRIQGFJM-SECBINFHSA-N 0 0 283.284 0.771 20 5 CCBDRN CC1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000330391396 354341278 /nfs/dbraw/zinc/34/12/78/354341278.db2.gz FZZGVAQNCQYGTO-UHFFFAOYSA-N 0 0 268.273 0.477 20 5 CCBDRN O=C(NC[C@@]1(O)CCSC1)c1ccc([N+](=O)[O-])cn1 ZINC000531887325 358486947 /nfs/dbraw/zinc/48/69/47/358486947.db2.gz GUUATCNYDRNTGD-NSHDSACASA-N 0 0 283.309 0.588 20 5 CCBDRN CC[C@@H](C)[C@@H](O)CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000330530343 354395963 /nfs/dbraw/zinc/39/59/63/354395963.db2.gz AVRFCPZRDGFQKF-APPZFPTMSA-N 0 0 270.289 0.465 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCC1=O ZINC000331070314 354437914 /nfs/dbraw/zinc/43/79/14/354437914.db2.gz RSRUCFYSNOHMMS-QMMMGPOBSA-N 0 0 266.257 0.277 20 5 CCBDRN CC[C@@](C)(O)CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000330550051 354406891 /nfs/dbraw/zinc/40/68/91/354406891.db2.gz BADYZXXVQKOJCU-SNVBAGLBSA-N 0 0 256.262 0.219 20 5 CCBDRN C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)NC(C)(C)C ZINC000330563390 354414196 /nfs/dbraw/zinc/41/41/96/354414196.db2.gz JLDDSFHYWFHCSL-ZETCQYMHSA-N 0 0 297.315 0.361 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000330577145 354421487 /nfs/dbraw/zinc/42/14/87/354421487.db2.gz RGGWKVXCMWNRFT-CBAPKCEASA-N 0 0 268.273 0.219 20 5 CCBDRN CS[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331323529 354535172 /nfs/dbraw/zinc/53/51/72/354535172.db2.gz LSQDTKKREKEOCX-SECBINFHSA-N 0 0 270.314 0.755 20 5 CCBDRN CS(=O)(=O)CC1(Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000331364110 354552926 /nfs/dbraw/zinc/55/29/26/354552926.db2.gz BAZKOXGAVHDMCX-UHFFFAOYSA-N 0 0 286.309 0.581 20 5 CCBDRN CC(C)(O)CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000331509153 354594033 /nfs/dbraw/zinc/59/40/33/354594033.db2.gz PKPZAQHLULEQRV-UHFFFAOYSA-N 0 0 268.273 0.693 20 5 CCBDRN CC1(O)CC(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000331577190 354611291 /nfs/dbraw/zinc/61/12/91/354611291.db2.gz LAGJGZMURVCDIT-UHFFFAOYSA-N 0 0 268.273 0.069 20 5 CCBDRN CSC1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCC1 ZINC000331584352 354613498 /nfs/dbraw/zinc/61/34/98/354613498.db2.gz MASSHQPUOMUWLW-UHFFFAOYSA-N 0 0 285.329 0.588 20 5 CCBDRN Cc1n[nH]c(C(=O)N2CC[C@H](CCO)C2)c1[N+](=O)[O-] ZINC000332681928 354719701 /nfs/dbraw/zinc/71/97/01/354719701.db2.gz TVPXPYGOLVCWHK-MRVPVSSYSA-N 0 0 268.273 0.471 20 5 CCBDRN CCN(C)C(=O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332724272 354729067 /nfs/dbraw/zinc/72/90/67/354729067.db2.gz SVJOYZZBAHGIHW-UHFFFAOYSA-N 0 0 278.312 0.826 20 5 CCBDRN CCN(CCOCCO)c1ccc([N+](=O)[O-])nc1 ZINC000336791100 355163845 /nfs/dbraw/zinc/16/38/45/355163845.db2.gz ZINJQKDZAOXPSD-UHFFFAOYSA-N 0 0 255.274 0.825 20 5 CCBDRN COC(=O)C[C@@H]1COCCN1c1ncc([N+](=O)[O-])s1 ZINC000377177794 137758988 /nfs/dbraw/zinc/75/89/88/137758988.db2.gz GESWFQOVSALYCF-SSDOTTSWSA-N 0 0 287.297 0.820 20 5 CCBDRN O=[N+]([O-])c1cnc(NC[C@H]2CCCCS2(=O)=O)s1 ZINC000337012585 355247453 /nfs/dbraw/zinc/24/74/53/355247453.db2.gz IBFZNHZOWZVULM-SSDOTTSWSA-N 0 0 291.354 0.852 20 5 CCBDRN CN(CCOCCO)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000558644061 291064455 /nfs/dbraw/zinc/06/44/55/291064455.db2.gz QOIWFAVXSNLWQZ-UHFFFAOYSA-N 0 0 269.257 0.071 20 5 CCBDRN NC(=O)c1cc([N+](=O)[O-])cn(C[C@H]2CCCO2)c1=O ZINC000338538904 355364797 /nfs/dbraw/zinc/36/47/97/355364797.db2.gz AWDUNZQWQJAPGI-MRVPVSSYSA-N 0 0 267.241 0.034 20 5 CCBDRN O=C(CN1CC[C@@](F)(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000338585443 355371393 /nfs/dbraw/zinc/37/13/93/355371393.db2.gz 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ZYSGBXBONASAJR-HBNTYKKESA-N 0 0 258.318 0.813 20 5 CCBDRN CSCCONC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000797639040 617238417 /nfs/dbraw/zinc/23/84/17/617238417.db2.gz DFQVOSUQZOSGGT-UHFFFAOYSA-N 0 0 272.286 0.828 20 5 CCBDRN COc1ccc(CC(=O)N2CC=C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000922265472 617240111 /nfs/dbraw/zinc/24/01/11/617240111.db2.gz CHSUENDYOWBPKH-LLVKDONJSA-N 0 0 292.291 0.905 20 5 CCBDRN COc1ccc([N+](=O)[O-])c(C(=O)OC[C@@]2(O)CCOC2)c1 ZINC000842386545 617282478 /nfs/dbraw/zinc/28/24/78/617282478.db2.gz ODQWCIUFMHOLLU-CYBMUJFWSA-N 0 0 297.263 0.912 20 5 CCBDRN COc1cccc2c1CC[C@@]2(CO)NCC[N+](=O)[O-] ZINC000931696155 617311677 /nfs/dbraw/zinc/31/16/77/617311677.db2.gz YPCBNBIFJPPIAJ-ZDUSSCGKSA-N 0 0 266.297 0.695 20 5 CCBDRN COc1cccnc1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841160390 617323272 /nfs/dbraw/zinc/32/32/72/617323272.db2.gz SSQPRQYKQXKLJG-HTQZYQBOSA-N 0 0 251.242 0.718 20 5 CCBDRN CC(=O)N1CC[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000860942159 613475997 /nfs/dbraw/zinc/47/59/97/613475997.db2.gz JREFLBXPADMPMO-SNVBAGLBSA-N 0 0 272.301 0.986 20 5 CCBDRN CC(=O)N1CC(OC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000836031829 613776250 /nfs/dbraw/zinc/77/62/50/613776250.db2.gz XPYNQBSJVWAIKX-UHFFFAOYSA-N 0 0 294.263 0.748 20 5 CCBDRN CC(=O)N1CC(OC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000836029348 613777190 /nfs/dbraw/zinc/77/71/90/613777190.db2.gz IJXMNPHUSUONIN-UHFFFAOYSA-N 0 0 279.252 0.565 20 5 CCBDRN CC(C)C1(O)CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000811836513 613982927 /nfs/dbraw/zinc/98/29/27/613982927.db2.gz ZABBEEYOIWEIPY-UHFFFAOYSA-N 0 0 280.284 0.296 20 5 CCBDRN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839702574 614004764 /nfs/dbraw/zinc/00/47/64/614004764.db2.gz YLBSLAPXBLERNS-IVZWLZJFSA-N 0 0 284.312 0.842 20 5 CCBDRN CC(C)(C)n1nnc(CCn2ncc([N+](=O)[O-])n2)n1 ZINC000863372539 614071010 /nfs/dbraw/zinc/07/10/10/614071010.db2.gz UZCSTRGARPDLJU-UHFFFAOYSA-N 0 0 266.265 0.171 20 5 CCBDRN CC(C)[C@@H](CO)ONC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000836892292 614105252 /nfs/dbraw/zinc/10/52/52/614105252.db2.gz QZZUVGGBBQHKFL-LLVKDONJSA-N 0 0 283.284 0.855 20 5 CCBDRN CC(C)(COC(=O)C[C@H]1CCC(=O)NC1)[N+](=O)[O-] ZINC000851128921 614126067 /nfs/dbraw/zinc/12/60/67/614126067.db2.gz IDSWILRMKQGEPC-MRVPVSSYSA-N 0 0 258.274 0.501 20 5 CCBDRN CC(C)C[C@@H](C(N)=O)C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000840682930 614181678 /nfs/dbraw/zinc/18/16/78/614181678.db2.gz SZQKGYXIMQGXPN-JTQLQIEISA-N 0 0 298.299 0.482 20 5 CCBDRN CC(C)(O)COc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000824172279 614198830 /nfs/dbraw/zinc/19/88/30/614198830.db2.gz JGELURRTCPLCMI-UHFFFAOYSA-N 0 0 279.256 0.925 20 5 CCBDRN CC(=O)c1cc(COC(=O)c2nn(C)cc2[N+](=O)[O-])on1 ZINC000813137727 614249435 /nfs/dbraw/zinc/24/94/35/614249435.db2.gz RMFUSJCFOPIWLF-UHFFFAOYSA-N 0 0 294.223 0.876 20 5 CCBDRN CC(=O)c1ccc(N2CCN(C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000872606232 614253614 /nfs/dbraw/zinc/25/36/14/614253614.db2.gz NJEODPSAVNEXNF-LBPRGKRZSA-N 0 0 293.323 0.910 20 5 CCBDRN CC(C)=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976484494 614282095 /nfs/dbraw/zinc/28/20/95/614282095.db2.gz RWSLUNPUOHIWAZ-HMUNZLOLSA-N 0 0 293.323 0.191 20 5 CCBDRN CC(C)N1C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CC1=O ZINC000822980519 614392673 /nfs/dbraw/zinc/39/26/73/614392673.db2.gz WKYZXFQDUVRFAM-JTQLQIEISA-N 0 0 285.344 0.947 20 5 CCBDRN CCCN(CC(N)=O)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832815531 614565034 /nfs/dbraw/zinc/56/50/34/614565034.db2.gz QRQQJDRSOMPKLM-UHFFFAOYSA-N 0 0 259.306 0.546 20 5 CCBDRN CCCN(CCC)C(=O)COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840671937 614576367 /nfs/dbraw/zinc/57/63/67/614576367.db2.gz HNKKGIAYIGRKHG-NXEZZACHSA-N 0 0 272.301 0.843 20 5 CCBDRN CC1(C)CO[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000832833079 614728153 /nfs/dbraw/zinc/72/81/53/614728153.db2.gz CNSSHWGOHVZOTO-SNVBAGLBSA-N 0 0 282.300 0.723 20 5 CCBDRN CC1(C)C[C@](C)(NC(=O)c2c[nH]nc2[N+](=O)[O-])C(=O)O1 ZINC000848146639 614796819 /nfs/dbraw/zinc/79/68/19/614796819.db2.gz COJWFDMILMITFL-NSHDSACASA-N 0 0 282.256 0.532 20 5 CCBDRN CCN(CC(=O)NC)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000853400832 614937776 /nfs/dbraw/zinc/93/77/76/614937776.db2.gz PFNSXNPDZDECOL-UHFFFAOYSA-N 0 0 280.284 0.266 20 5 CCBDRN CCN(CC)C(=O)CCC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813107031 614961886 /nfs/dbraw/zinc/96/18/86/614961886.db2.gz KMZTUQWJBCGHCH-VIFPVBQESA-N 0 0 260.290 0.843 20 5 CCBDRN CCN(CC)C(=O)CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000920759845 614978986 /nfs/dbraw/zinc/97/89/86/614978986.db2.gz GNJNVKQKAAAHOL-UHFFFAOYSA-N 0 0 295.299 0.369 20 5 CCBDRN CCN(CC)C(=O)Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829855002 614982340 /nfs/dbraw/zinc/98/23/40/614982340.db2.gz UKHFLWPYFRQXQU-UHFFFAOYSA-N 0 0 271.233 0.568 20 5 CCBDRN CC1=NO[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000854802694 614988979 /nfs/dbraw/zinc/98/89/79/614988979.db2.gz NMHGKEVHCBTRGE-SSDOTTSWSA-N 0 0 279.256 0.467 20 5 CCBDRN CC1=NO[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000854786186 615006895 /nfs/dbraw/zinc/00/68/95/615006895.db2.gz RECXZVBQPFCSOB-NWDGAFQWSA-N 0 0 293.279 0.909 20 5 CCBDRN CCNC(=O)COC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000013288373 615051033 /nfs/dbraw/zinc/05/10/33/615051033.db2.gz HMXPCNGEMLNRRM-UHFFFAOYSA-N 0 0 282.252 0.653 20 5 CCBDRN CCNC(=O)COC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000009924275 615051982 /nfs/dbraw/zinc/05/19/82/615051982.db2.gz SKYDDWWMIXBQDT-UHFFFAOYSA-N 0 0 281.268 0.929 20 5 CCBDRN CCNC(=O)[C@H](C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003149 615065444 /nfs/dbraw/zinc/06/54/44/615065444.db2.gz QIIZCHUTNNKGOF-ZETCQYMHSA-N 0 0 295.299 0.823 20 5 CCBDRN CCN(OC)C(=O)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000844069818 615070939 /nfs/dbraw/zinc/07/09/39/615070939.db2.gz YNVBKBQUXCTUIK-UHFFFAOYSA-N 0 0 295.295 0.663 20 5 CCBDRN CCN(OC)C(=O)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000844071233 615074987 /nfs/dbraw/zinc/07/49/87/615074987.db2.gz IOLMFQKIIVZIFR-UHFFFAOYSA-N 0 0 299.258 0.874 20 5 CCBDRN CCN1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1=O ZINC000804615049 615162837 /nfs/dbraw/zinc/16/28/37/615162837.db2.gz YVPUWJKUBBGOEH-UHFFFAOYSA-N 0 0 264.285 0.846 20 5 CCBDRN CCOC(=O)[C@H](CC)C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000840685344 615349548 /nfs/dbraw/zinc/34/95/48/615349548.db2.gz HMWCAYKGUKAMDJ-VIFPVBQESA-N 0 0 299.283 0.924 20 5 CCBDRN CCON(CC)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000831480377 615350806 /nfs/dbraw/zinc/35/08/06/615350806.db2.gz GRQDTMOJHVNUHK-UHFFFAOYSA-N 0 0 256.262 0.900 20 5 CCBDRN CCO[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])[C@@H]1CCOC1 ZINC000870384913 615476315 /nfs/dbraw/zinc/47/63/15/615476315.db2.gz CMZWLAVXCNHTQF-AEJSXWLSSA-N 0 0 261.274 0.636 20 5 CCBDRN CCO[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000885338687 615488852 /nfs/dbraw/zinc/48/88/52/615488852.db2.gz JAVZKBFWGDBISC-QMMMGPOBSA-N 0 0 268.273 0.579 20 5 CCBDRN CC[C@@](C)(CO)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827821619 615589296 /nfs/dbraw/zinc/58/92/96/615589296.db2.gz SRKVCCOQARFKDB-YPMHNXCESA-N 0 0 282.296 0.905 20 5 CCBDRN CCn1nc(C)c(CNc2ccncc2[N+](=O)[O-])n1 ZINC000819935331 615654956 /nfs/dbraw/zinc/65/49/56/615654956.db2.gz RFDVNAKNZFNRHW-UHFFFAOYSA-N 0 0 262.273 0.944 20 5 CCBDRN CCn1ncc(CNC(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000862386663 615707264 /nfs/dbraw/zinc/70/72/64/615707264.db2.gz XVUPEIXEXJXDEF-UHFFFAOYSA-N 0 0 278.272 0.475 20 5 CCBDRN CC[C@H](CCO)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827194739 615707339 /nfs/dbraw/zinc/70/73/39/615707339.db2.gz DVWNFERXNVFBGD-PWSUYJOCSA-N 0 0 282.296 0.905 20 5 CCBDRN CC[C@H](O)CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000833405465 615829387 /nfs/dbraw/zinc/82/93/87/615829387.db2.gz CXZNNXNJTKGKDQ-WDEREUQCSA-N 0 0 268.269 0.515 20 5 CCBDRN CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000825756610 615847224 /nfs/dbraw/zinc/84/72/24/615847224.db2.gz ZDNWDVBWCXTQSC-RYUDHWBXSA-N 0 0 280.280 0.876 20 5 CCBDRN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC(C)(C)OC1=O ZINC000839778891 615867378 /nfs/dbraw/zinc/86/73/78/615867378.db2.gz JKOPHNYPGCWHIZ-PRJMDXOYSA-N 0 0 256.258 0.204 20 5 CCBDRN CN(C)C(=O)CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000035121401 615971749 /nfs/dbraw/zinc/97/17/49/615971749.db2.gz LWWIZZXPYAISKW-UHFFFAOYSA-N 0 0 265.229 0.631 20 5 CCBDRN CN(C)C(=O)COC(=O)c1csc([N+](=O)[O-])c1 ZINC000917281654 615973625 /nfs/dbraw/zinc/97/36/25/615973625.db2.gz PGVYIKOTYKMQSJ-UHFFFAOYSA-N 0 0 258.255 0.901 20 5 CCBDRN CN(C)C(=O)N1CCC(C(=O)OCCC[N+](=O)[O-])CC1 ZINC000860916186 615979217 /nfs/dbraw/zinc/97/92/17/615979217.db2.gz PJHSQMMIDRVPRQ-UHFFFAOYSA-N 0 0 287.316 0.590 20 5 CCBDRN CN(C)C(=O)NCCOC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000842978271 615984026 /nfs/dbraw/zinc/98/40/26/615984026.db2.gz GZDLRKHLCGIFSM-UHFFFAOYSA-N 0 0 295.295 0.952 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)OC[C@]2(C)CCNC2=O)n1 ZINC000853179942 616015144 /nfs/dbraw/zinc/01/51/44/616015144.db2.gz PFPLKAGGWGZOHM-LBPRGKRZSA-N 0 0 296.283 0.494 20 5 CCBDRN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839701694 616017810 /nfs/dbraw/zinc/01/78/10/616017810.db2.gz PVYKQWTWZUIFRL-YYZXAGPNSA-N 0 0 288.369 0.848 20 5 CCBDRN CN(C)c1noc(-c2cnc(N)c([N+](=O)[O-])c2)n1 ZINC000904657845 616037777 /nfs/dbraw/zinc/03/77/77/616037777.db2.gz LOAXIRQPVHFPKL-UHFFFAOYSA-N 0 0 250.218 0.688 20 5 CCBDRN CN(Cc1csc([N+](=O)[O-])c1)C1CS(=O)(=O)C1 ZINC000895401145 616099948 /nfs/dbraw/zinc/09/99/48/616099948.db2.gz UZJLNZNSOGCRFT-UHFFFAOYSA-N 0 0 276.339 0.885 20 5 CCBDRN CN(CC[N+](=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000930000610 616123490 /nfs/dbraw/zinc/12/34/90/616123490.db2.gz MZJHCNIJWGXBSI-VHSXEESVSA-N 0 0 264.347 0.551 20 5 CCBDRN CN(CC[N+](=O)[O-])Cc1ccc(S(C)(=O)=O)cc1 ZINC000929698995 616123521 /nfs/dbraw/zinc/12/35/21/616123521.db2.gz YXGIPQQNUJZBKE-UHFFFAOYSA-N 0 0 272.326 0.799 20 5 CCBDRN CN(C[C@H](O)c1cccnc1)c1c([N+](=O)[O-])ncn1C ZINC000895938761 616151157 /nfs/dbraw/zinc/15/11/57/616151157.db2.gz LOIQIYCNQLRGNH-JTQLQIEISA-N 0 0 277.284 0.893 20 5 CCBDRN CN(CC(=O)N1CCN(C)CC1)c1sccc1[N+](=O)[O-] ZINC000894958470 616223374 /nfs/dbraw/zinc/22/33/74/616223374.db2.gz PPOQYMVEFKIQTE-UHFFFAOYSA-N 0 0 298.368 0.867 20 5 CCBDRN CN1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000931410197 616245797 /nfs/dbraw/zinc/24/57/97/616245797.db2.gz JVOKSICBGJIVQL-SNVBAGLBSA-N 0 0 271.342 0.765 20 5 CCBDRN CN1CCN(c2ccnc(F)c2[N+](=O)[O-])CCC1=O ZINC000882621962 616247432 /nfs/dbraw/zinc/24/74/32/616247432.db2.gz DWXJIKSGKJMAPO-UHFFFAOYSA-N 0 0 268.248 0.797 20 5 CCBDRN CN1CCOC[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865971846 616250346 /nfs/dbraw/zinc/25/03/46/616250346.db2.gz KFVGMISTHDRVCO-SNVBAGLBSA-N 0 0 299.302 0.969 20 5 CCBDRN CNc1nccc(C(=O)NOC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000847880965 616276957 /nfs/dbraw/zinc/27/69/57/616276957.db2.gz WYQDQOQNLGIKHT-QMMMGPOBSA-N 0 0 296.283 0.729 20 5 CCBDRN COC(=O)[C@@H]1CCN(CC[N+](=O)[O-])[C@@H]([C@@H]2CCCO2)C1 ZINC000933188787 616306136 /nfs/dbraw/zinc/30/61/36/616306136.db2.gz UKKNATIMSYWINE-UTUOFQBUSA-N 0 0 286.328 0.696 20 5 CCBDRN COC(=O)[C@@H]1CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000888045704 616314098 /nfs/dbraw/zinc/31/40/98/616314098.db2.gz GZRKNOZXTVAOSY-NSHDSACASA-N 0 0 278.264 0.911 20 5 CCBDRN COCCN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823297728 616358128 /nfs/dbraw/zinc/35/81/28/616358128.db2.gz IKQGZWDZXYEMFR-UHFFFAOYSA-N 0 0 287.360 0.613 20 5 CCBDRN COC(=O)C1(Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000840209759 616366647 /nfs/dbraw/zinc/36/66/47/616366647.db2.gz AZNSYXQHTFORHG-UHFFFAOYSA-N 0 0 270.201 0.653 20 5 CCBDRN CN1CC[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])CC1=O ZINC000851124758 616383593 /nfs/dbraw/zinc/38/35/93/616383593.db2.gz KBXVBCUVTAGPGL-QMMMGPOBSA-N 0 0 258.274 0.453 20 5 CCBDRN CN1CC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000921413739 616432623 /nfs/dbraw/zinc/43/26/23/616432623.db2.gz SAQSWQVWLSZONK-VIFPVBQESA-N 0 0 285.325 0.577 20 5 CCBDRN 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361088567 /nfs/dbraw/zinc/08/85/67/361088567.db2.gz GEYIHZSAWCUIOL-LLVKDONJSA-N 0 0 282.300 0.723 20 5 CCBDRN CO[C@@H]1CC[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000597411241 361089259 /nfs/dbraw/zinc/08/92/59/361089259.db2.gz VTYIPKSCNUZVSA-GXSJLCMTSA-N 0 0 282.300 0.723 20 5 CCBDRN O=C([C@H]1CC(=O)N1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000597411710 361089794 /nfs/dbraw/zinc/08/97/94/361089794.db2.gz ZJEZTWUAFNRNAK-GFCCVEGCSA-N 0 0 289.291 0.974 20 5 CCBDRN CN(Cc1ncc(Cl)n1C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000180465800 189257025 /nfs/dbraw/zinc/25/70/25/189257025.db2.gz DDXKXGVVYIROOS-UHFFFAOYSA-N 0 0 298.690 0.977 20 5 CCBDRN CCc1n[nH]c(C(=O)N2CCO[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000597541988 361133047 /nfs/dbraw/zinc/13/30/47/361133047.db2.gz XVXZXKVKPUXKCW-MRVPVSSYSA-N 0 0 284.272 0.325 20 5 CCBDRN Cc1c(CNC(=O)[C@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000597555491 361138305 /nfs/dbraw/zinc/13/83/05/361138305.db2.gz OFZYMZPSHFUYQK-JTQLQIEISA-N 0 0 277.280 0.656 20 5 CCBDRN CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000597606599 361159633 /nfs/dbraw/zinc/15/96/33/361159633.db2.gz XRMNDWPQZRQNDS-SNVBAGLBSA-N 0 0 295.343 0.885 20 5 CCBDRN CSc1cccc(C(=O)N2CC(O)(CO)C2)c1[N+](=O)[O-] ZINC000597702839 361200030 /nfs/dbraw/zinc/20/00/30/361200030.db2.gz PGFZTYNEKZVZDL-UHFFFAOYSA-N 0 0 298.320 0.496 20 5 CCBDRN CCOc1ccc(C(=O)N2CC(O)(CO)C2)cc1[N+](=O)[O-] ZINC000597705405 361202522 /nfs/dbraw/zinc/20/25/22/361202522.db2.gz MLUFPBPJTLRRDS-UHFFFAOYSA-N 0 0 296.279 0.173 20 5 CCBDRN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCOC1 ZINC000597878658 361274718 /nfs/dbraw/zinc/27/47/18/361274718.db2.gz JIBSOYXEDVHTNI-KOLCDFICSA-N 0 0 297.311 0.715 20 5 CCBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H](Cn2ccnn2)C1 ZINC000597896171 361279236 /nfs/dbraw/zinc/27/92/36/361279236.db2.gz MBMJPKSADSPZJM-QMMMGPOBSA-N 0 0 291.271 0.072 20 5 CCBDRN O=C(N[C@H](CO)C1CCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000597921556 361283641 /nfs/dbraw/zinc/28/36/41/361283641.db2.gz VVOHMGFVUAAUSU-MRVPVSSYSA-N 0 0 254.246 0.209 20 5 CCBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCNC1=O ZINC000597855573 361267600 /nfs/dbraw/zinc/26/76/00/361267600.db2.gz KCWHZMOPRRBGEL-VIFPVBQESA-N 0 0 281.243 0.281 20 5 CCBDRN Cc1sc(C(=O)N[C@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000597856333 361268675 /nfs/dbraw/zinc/26/86/75/361268675.db2.gz PEBFSNHUSAIXFY-LURJTMIESA-N 0 0 269.282 0.583 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2COC(C)(C)C2)n1 ZINC000597863496 361272534 /nfs/dbraw/zinc/27/25/34/361272534.db2.gz FUJOPAAJXKVPFY-ZETCQYMHSA-N 0 0 268.273 0.626 20 5 CCBDRN CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000563990130 291262346 /nfs/dbraw/zinc/26/23/46/291262346.db2.gz PALMSXXCRBZCGP-HTQZYQBOSA-N 0 0 254.246 0.303 20 5 CCBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC/C=C/CO ZINC000597991525 361299548 /nfs/dbraw/zinc/29/95/48/361299548.db2.gz HASDIDCONQWREL-OWOJBTEDSA-N 0 0 250.254 0.802 20 5 CCBDRN COc1cccc(C(=O)NC/C=C\CO)c1[N+](=O)[O-] ZINC000597991051 361299600 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C[C@H](CO)Nc1nc(N[C@@H](C)CO)c([N+](=O)[O-])s1 ZINC000301534650 201051357 /nfs/dbraw/zinc/05/13/57/201051357.db2.gz MEGVJBJXJWTCGM-NTSWFWBYSA-N 0 0 276.318 0.637 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCCc1ccoc1 ZINC000598205632 361354837 /nfs/dbraw/zinc/35/48/37/361354837.db2.gz ZTMTXDHQKCWBNB-UHFFFAOYSA-N 0 0 264.241 0.743 20 5 CCBDRN C[C@@]12COC[C@H]1CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C2 ZINC000598225317 361357632 /nfs/dbraw/zinc/35/76/32/361357632.db2.gz CEQLRGUDHGZUCY-ZWNOBZJWSA-N 0 0 294.311 0.676 20 5 CCBDRN O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000598301128 361385266 /nfs/dbraw/zinc/38/52/66/361385266.db2.gz AUVHMXGLNYWHTF-RKDXNWHRSA-N 0 0 265.269 0.956 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000598302508 361385426 /nfs/dbraw/zinc/38/54/26/361385426.db2.gz FRNNAEAHDJVBGW-ZJUUUORDSA-N 0 0 294.311 0.519 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000598304787 361386128 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C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@]1(C)CO ZINC000598448637 361420878 /nfs/dbraw/zinc/42/08/78/361420878.db2.gz OPZZPMUIWLQBKC-CABZTGNLSA-N 0 0 282.300 0.268 20 5 CCBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1nccn1C ZINC000598465464 361424844 /nfs/dbraw/zinc/42/48/44/361424844.db2.gz SKEXMABRNRERNV-ZCFIWIBFSA-N 0 0 264.245 0.542 20 5 CCBDRN O=C(N[C@H]1C[C@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598527901 361438523 /nfs/dbraw/zinc/43/85/23/361438523.db2.gz KPFTWNITTJSBPO-CZMCAQCFSA-N 0 0 254.217 0.987 20 5 CCBDRN COc1ccc(C(=O)N[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000598529140 361439546 /nfs/dbraw/zinc/43/95/46/361439546.db2.gz FQFJFMASNVCLJP-KYZUINATSA-N 0 0 266.253 0.857 20 5 CCBDRN CCCc1[nH]nc(C(=O)N=c2[nH]n(C)cc2C)c1[N+](=O)[O-] ZINC000598537620 361443455 /nfs/dbraw/zinc/44/34/55/361443455.db2.gz KDAXOQFHJRNLNH-UHFFFAOYSA-N 0 0 292.299 0.987 20 5 CCBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@]1(C)CO ZINC000598440511 361416496 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CCBDRN Cc1ncoc1CN1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042710215 815070133 /nfs/dbraw/zinc/07/01/33/815070133.db2.gz AHMHCVDLSQPZOM-GHMZBOCLSA-N 0 0 294.311 0.291 20 5 CCBDRN O=[N+]([O-])c1cncc(O[C@@H]2CCS(=O)(=O)C2)c1 ZINC001227986544 805405614 /nfs/dbraw/zinc/40/56/14/805405614.db2.gz AYJJHXCEEQUMKR-MRVPVSSYSA-N 0 0 258.255 0.556 20 5 CCBDRN COC(=O)CC(CC(=O)OC)Oc1cncc([N+](=O)[O-])c1 ZINC001227987567 805405705 /nfs/dbraw/zinc/40/57/05/805405705.db2.gz IBCZAYNZLXFDAT-UHFFFAOYSA-N 0 0 298.251 0.863 20 5 CCBDRN CCOC(=O)[C@@H](Oc1nc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001228140684 805417234 /nfs/dbraw/zinc/41/72/34/805417234.db2.gz MFKAAQSMFIXVNQ-QMMMGPOBSA-N 0 0 283.240 0.811 20 5 CCBDRN CC1(C)COC(=O)[C@H]1Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228144832 805418262 /nfs/dbraw/zinc/41/82/62/805418262.db2.gz WXCVXWNTOFKKAJ-ZCFIWIBFSA-N 0 0 269.213 0.421 20 5 CCBDRN NC(=O)c1nccnc1O[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001228280407 805428442 /nfs/dbraw/zinc/42/84/42/805428442.db2.gz 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807210055 /nfs/dbraw/zinc/21/00/55/807210055.db2.gz PBGQCJJWURKAJX-WCQYABFASA-N 0 0 275.308 0.583 20 5 CCBDRN COCCc1noc(Cn2c(C)ncc2[N+](=O)[O-])n1 ZINC001251620013 807689583 /nfs/dbraw/zinc/68/95/83/807689583.db2.gz QRKFOIIOSDCJFQ-UHFFFAOYSA-N 0 0 267.245 0.720 20 5 CCBDRN CN(CCO)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001253694136 808118139 /nfs/dbraw/zinc/11/81/39/808118139.db2.gz FGHBOQVRSUPKSQ-UHFFFAOYSA-N 0 0 272.232 0.563 20 5 CCBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)NN1CCCC1=O ZINC001254373299 808225050 /nfs/dbraw/zinc/22/50/50/808225050.db2.gz BIYRJFABYLZKJN-UHFFFAOYSA-N 0 0 278.268 0.904 20 5 CCBDRN C[C@]1(c2noc(Cn3cnc([N+](=O)[O-])n3)n2)CCCO1 ZINC001254883200 808293596 /nfs/dbraw/zinc/29/35/96/808293596.db2.gz WWTOSHVURBJWPD-SNVBAGLBSA-N 0 0 280.244 0.643 20 5 CCBDRN Cc1nn(C)c(C(=O)NOC2CCOCC2)c1[N+](=O)[O-] ZINC001255208687 808330022 /nfs/dbraw/zinc/33/00/22/808330022.db2.gz XQKPLJXERXIGOC-UHFFFAOYSA-N 0 0 284.272 0.477 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ncc(CCO)s2)n1 ZINC001261742007 809072457 /nfs/dbraw/zinc/07/24/57/809072457.db2.gz IUYUCKUNEBLMES-UHFFFAOYSA-N 0 0 297.296 0.572 20 5 CCBDRN C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1nccn1C ZINC001261911919 809129230 /nfs/dbraw/zinc/12/92/30/809129230.db2.gz SJGSBPQXHNNWAP-SSDOTTSWSA-N 0 0 278.272 0.553 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCCCC(F)F ZINC001262206008 809242535 /nfs/dbraw/zinc/24/25/35/809242535.db2.gz LQDDKILCDRROBL-UHFFFAOYSA-N 0 0 262.216 0.953 20 5 CCBDRN CO[C@H]1C[C@@H](N(C)c2nnc(C[N+](=O)[O-])n2C)C12CCC2 ZINC001262864268 809418437 /nfs/dbraw/zinc/41/84/37/809418437.db2.gz CESBNIIXNQMHGF-ZJUUUORDSA-N 0 0 295.343 0.986 20 5 CCBDRN CC(=O)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)[C@H](C)C1 ZINC001262863863 809418563 /nfs/dbraw/zinc/41/85/63/809418563.db2.gz RLBXIINDXNJLKN-RKDXNWHRSA-N 0 0 296.331 0.210 20 5 CCBDRN COC(=O)[C@H]1CCN(c2nnc(CCC[N+](=O)[O-])n2C)C1 ZINC001263556372 809535875 /nfs/dbraw/zinc/53/58/75/809535875.db2.gz HSYNKEYPHMEHBZ-VIFPVBQESA-N 0 0 297.315 0.024 20 5 CCBDRN CCC(=O)N1CC[C@H](C(=O)O[C@H](CC)C[N+](=O)[O-])C1 ZINC001263622859 809542404 /nfs/dbraw/zinc/54/24/04/809542404.db2.gz BESTXNQBCMAXJQ-VHSXEESVSA-N 0 0 272.301 0.843 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2C)n1 ZINC001264841840 809680527 /nfs/dbraw/zinc/68/05/27/809680527.db2.gz DBMYAGJYNXTOSN-UHFFFAOYSA-N 0 0 264.245 0.797 20 5 CCBDRN CN1CCOC[C@@H]1CNc1nc(Cl)ncc1[N+](=O)[O-] ZINC000700259543 809732967 /nfs/dbraw/zinc/73/29/67/809732967.db2.gz IUTHHIOFQKTNPK-ZETCQYMHSA-N 0 0 287.707 0.781 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(NC[C@@]2(O)CCSC2)n1 ZINC000702291994 809898976 /nfs/dbraw/zinc/89/89/76/809898976.db2.gz KLFLNQYJTALADT-VIFPVBQESA-N 0 0 258.303 0.608 20 5 CCBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCOC[C@H]1CCO ZINC000694950056 811537705 /nfs/dbraw/zinc/53/77/05/811537705.db2.gz IHQBYAWUGDLDOV-SNVBAGLBSA-N 0 0 284.316 0.707 20 5 CCBDRN O=[N+]([O-])c1c(N2CCOC[C@H]2CCO)nc2sccn21 ZINC000694959530 811538727 /nfs/dbraw/zinc/53/87/27/811538727.db2.gz PVGRIZRJINLCHP-MRVPVSSYSA-N 0 0 298.324 0.892 20 5 CCBDRN CNC(=O)c1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC001269082666 813208944 /nfs/dbraw/zinc/20/89/44/813208944.db2.gz PGCLQBXQOXQPRG-HTQZYQBOSA-N 0 0 264.241 0.045 20 5 CCBDRN COc1ncc([N+](=O)[O-])c(N[C@@H]2CCOC[C@H]2OC)n1 ZINC001168190650 814890464 /nfs/dbraw/zinc/89/04/64/814890464.db2.gz OCTRKGYJWCHZCW-VXNVDRBHSA-N 0 0 284.272 0.609 20 5 CCBDRN Cn1cc(N[C@H]2C[C@@H](CO)C2)cc([N+](=O)[O-])c1=O ZINC001168243213 814920048 /nfs/dbraw/zinc/92/00/48/814920048.db2.gz LDICUQYPPHDQBU-OCAPTIKFSA-N 0 0 253.258 0.476 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1NC(=O)c1nnc2ccccc2n1 ZINC001272513899 816537857 /nfs/dbraw/zinc/53/78/57/816537857.db2.gz OVNFKOJWBBDAHC-UHFFFAOYSA-N 0 0 299.250 0.919 20 5 CCBDRN CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)CC(N)=O ZINC001106704299 816856906 /nfs/dbraw/zinc/85/69/06/816856906.db2.gz CZUYLGGTQGCUQU-UHFFFAOYSA-N 0 0 295.299 0.126 20 5 CCBDRN CCC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107002213 817626123 /nfs/dbraw/zinc/62/61/23/817626123.db2.gz SUZMQVUDZAJPOO-ONEGZZNKSA-N 0 0 280.288 0.461 20 5 CCBDRN NC(=O)CONC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000169218230 818058287 /nfs/dbraw/zinc/05/82/87/818058287.db2.gz RYAFJAZPQKHHAI-UHFFFAOYSA-N 0 0 273.632 0.395 20 5 CCBDRN COc1ccc(NC[C@H]2CC(=O)N(C)C2)nc1[N+](=O)[O-] ZINC001168717980 818322360 /nfs/dbraw/zinc/32/23/60/818322360.db2.gz LWQPETMPVZBIDW-MRVPVSSYSA-N 0 0 280.284 0.889 20 5 CCBDRN CN(C)c1ccc(-n2cnc(CN)n2)c([N+](=O)[O-])c1 ZINC001168757179 819313163 /nfs/dbraw/zinc/31/31/63/819313163.db2.gz QSNRCIYVUZHKMR-UHFFFAOYSA-N 0 0 262.273 0.700 20 5 CCBDRN Cc1cnc(N2C[C@H](CO)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000705352060 819487803 /nfs/dbraw/zinc/48/78/03/819487803.db2.gz OUUVTDXOBIBONH-AOOOYVTPSA-N 0 0 267.285 0.335 20 5 CCBDRN NS(=O)(=O)[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000707407214 819740297 /nfs/dbraw/zinc/74/02/97/819740297.db2.gz GYGJRFWHMYKTOJ-SSDOTTSWSA-N 0 0 289.288 0.601 20 5 CCBDRN [NH3+]Cc1nc(=O)[n-]n1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001168761919 819964832 /nfs/dbraw/zinc/96/48/32/819964832.db2.gz ZGIVGFGPLMHFRG-UHFFFAOYSA-N 0 0 274.240 0.821 20 5 CCBDRN O=C(NCC1(NC(=O)C2CCC2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001062989092 820127808 /nfs/dbraw/zinc/12/78/08/820127808.db2.gz NWNRDDJXTVKLHM-GHMZBOCLSA-N 0 0 295.339 0.607 20 5 CCBDRN C[C@H](O)[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001168764256 820281984 /nfs/dbraw/zinc/28/19/84/820281984.db2.gz HEHCAJDBBKKWHC-HWNAMQAFSA-N 0 0 294.307 0.556 20 5 CCBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(N)=O)CC2)n1 ZINC001166573096 821150158 /nfs/dbraw/zinc/15/01/58/821150158.db2.gz RHCSTJJOYJXCGU-UHFFFAOYSA-N 0 0 279.300 0.807 20 5 CCBDRN COc1nc(C)c([N+](=O)[O-])c(N(C)CC2COC2)n1 ZINC001166950169 821355006 /nfs/dbraw/zinc/35/50/06/821355006.db2.gz QWJDQKHUTXHWEP-UHFFFAOYSA-N 0 0 268.273 0.784 20 5 CCBDRN C[C@@]1(CO)C[C@H](O)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001214556864 822226109 /nfs/dbraw/zinc/22/61/09/822226109.db2.gz BZWPCMMXBXOHOU-AAEUAGOBSA-N 0 0 295.295 0.944 20 5 CCBDRN COc1cncnc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001129411589 837502047 /nfs/dbraw/zinc/50/20/47/837502047.db2.gz WLZRMHSTJOPOKM-UHFFFAOYSA-N 0 0 278.228 0.379 20 5 CCBDRN CCOc1nc(-n2[n-]c(=O)nc2C[NH3+])ccc1[N+](=O)[O-] ZINC001157940574 837758947 /nfs/dbraw/zinc/75/89/47/837758947.db2.gz BSBHATYUKCXWMO-UHFFFAOYSA-N 0 0 280.244 0.134 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)O[C@H]1CCS(=O)(=O)C1 ZINC000805758494 837779341 /nfs/dbraw/zinc/77/93/41/837779341.db2.gz MMUPYJLVNMHASD-QMMMGPOBSA-N 0 0 288.281 0.277 20 5 CCBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC(CO)(CO)C2)c1 ZINC001168947838 836067948 /nfs/dbraw/zinc/06/79/48/836067948.db2.gz SWVNUJUUJVLNQU-UHFFFAOYSA-N 0 0 294.307 0.766 20 5 CCBDRN CC(C)(C)OC(=O)[C@H](CO)N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168985838 836081834 /nfs/dbraw/zinc/08/18/34/836081834.db2.gz VCCUYCGBXMUBDQ-VWYCJHECSA-N 0 0 288.344 0.724 20 5 CCBDRN N=c1cc(CN)ncn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965559 836087637 /nfs/dbraw/zinc/08/76/37/836087637.db2.gz APXZMNDQHFBIEZ-WCBMZHEXSA-N 0 0 251.290 0.439 20 5 CCBDRN COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCC1OCCO1 ZINC001169064540 836121310 /nfs/dbraw/zinc/12/13/10/836121310.db2.gz QGAGWJXHXQOAII-UHFFFAOYSA-N 0 0 297.267 0.870 20 5 CCBDRN Cc1cc(N)n(Nc2cnc([N+](=O)[O-])cn2)c(=O)c1 ZINC001169302753 836203080 /nfs/dbraw/zinc/20/30/80/836203080.db2.gz AWBCEXXRYOJDGZ-UHFFFAOYSA-N 0 0 262.229 0.312 20 5 CCBDRN Cc1cc(N)n(Nc2ncccc2[N+](=O)[O-])c(=O)c1 ZINC001169303912 836205443 /nfs/dbraw/zinc/20/54/43/836205443.db2.gz QEYVRQRPAGNZKI-UHFFFAOYSA-N 0 0 261.241 0.917 20 5 CCBDRN Cc1ccc2c(ccnc2N[C@H](CO)C(N)=O)c1[N+](=O)[O-] ZINC001169327521 836220629 /nfs/dbraw/zinc/22/06/29/836220629.db2.gz MRBJCMFTPMPVGL-SNVBAGLBSA-N 0 0 290.279 0.710 20 5 CCBDRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)nn1C ZINC001169372624 836248120 /nfs/dbraw/zinc/24/81/20/836248120.db2.gz LCSLNGLCPMJQRA-UHFFFAOYSA-N 0 0 293.239 0.695 20 5 CCBDRN CN1CCOC[C@H]1CNc1nccnc1[N+](=O)[O-] ZINC001169651473 836405747 /nfs/dbraw/zinc/40/57/47/836405747.db2.gz PRRNCEWJODZMOT-MRVPVSSYSA-N 0 0 253.262 0.127 20 5 CCBDRN CN1CCOC[C@@H]1CNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001169656117 836412275 /nfs/dbraw/zinc/41/22/75/836412275.db2.gz LFADIFIGQVHPOQ-JTQLQIEISA-N 0 0 292.299 0.380 20 5 CCBDRN C=CC(=O)NCCNc1cc([N+](=O)[O-])c(OC)cn1 ZINC001169804997 836441820 /nfs/dbraw/zinc/44/18/20/836441820.db2.gz NYVNQAYWBWRPDS-UHFFFAOYSA-N 0 0 266.257 0.713 20 5 CCBDRN C=CC(=O)NCCNc1cnc(F)c([N+](=O)[O-])c1 ZINC001169806812 836448930 /nfs/dbraw/zinc/44/89/30/836448930.db2.gz AUKFIXBBXAQZTF-UHFFFAOYSA-N 0 0 254.221 0.843 20 5 CCBDRN CNC(=O)[C@H](C)Nc1ncc([N+](=O)[O-])cc1OC ZINC001169980316 836623955 /nfs/dbraw/zinc/62/39/55/836623955.db2.gz QBDOHMJWHILKNG-LURJTMIESA-N 0 0 254.246 0.545 20 5 CCBDRN CNC(=O)[C@H](C)Nc1nc([N+](=O)[O-])ccc1OC ZINC001169984336 836635286 /nfs/dbraw/zinc/63/52/86/836635286.db2.gz RJTGPZOTVRSJQH-LURJTMIESA-N 0 0 254.246 0.545 20 5 CCBDRN Cc1cc(NCCCN(C)C(=O)C(N)=O)ccc1[N+](=O)[O-] ZINC001109601217 836702218 /nfs/dbraw/zinc/70/22/18/836702218.db2.gz MVMLKEMEZITCPI-UHFFFAOYSA-N 0 0 294.311 0.649 20 5 CCBDRN CCOC(=O)[C@@H](Nc1ncc([N+](=O)[O-])c(C)n1)[C@@H](C)O ZINC001157276995 836915042 /nfs/dbraw/zinc/91/50/42/836915042.db2.gz ZJBJZHGUTSBMIY-APPZFPTMSA-N 0 0 284.272 0.418 20 5 CCBDRN O=[N+]([O-])c1nccnc1NC1CN(c2ncccn2)C1 ZINC001170123158 837041320 /nfs/dbraw/zinc/04/13/20/837041320.db2.gz ILSZJEOONLBCNA-UHFFFAOYSA-N 0 0 273.256 0.476 20 5 CCBDRN Cc1cc([N+](=O)[O-])cc(N2C[C@H](O)C[C@@H]2CO)c1F ZINC001170287081 837296341 /nfs/dbraw/zinc/29/63/41/837296341.db2.gz HKJVPDNAPOXKDH-NXEZZACHSA-N 0 0 270.260 0.974 20 5 CCBDRN COc1ccc(C[C@@H](C)n2nnc(CN)n2)c([N+](=O)[O-])c1 ZINC001170307863 837305407 /nfs/dbraw/zinc/30/54/07/837305407.db2.gz JJBVVKLBBGEXSI-MRVPVSSYSA-N 0 0 292.299 0.852 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NCC1CC2(C1)OCCO2 ZINC001133531945 838661147 /nfs/dbraw/zinc/66/11/47/838661147.db2.gz RBKLQUCZRWNVAI-UHFFFAOYSA-N 0 0 296.283 0.061 20 5 CCBDRN CC[S@](C)(=O)=NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC001133996434 838813990 /nfs/dbraw/zinc/81/39/90/838813990.db2.gz SKRPYRXHQFXFAP-SFHVURJKSA-N 0 0 274.302 0.744 20 5 CCBDRN Cc1cc(C(=O)N[C@@]2(C)CCNC2=O)ccc1[N+](=O)[O-] ZINC001134137420 838884634 /nfs/dbraw/zinc/88/46/34/838884634.db2.gz LUUAVPGXNMYYIW-ZDUSSCGKSA-N 0 0 277.280 0.912 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1cn(C)cn1 ZINC001135022242 839139208 /nfs/dbraw/zinc/13/92/08/839139208.db2.gz BPDBFDHRDOUCOY-UHFFFAOYSA-N 0 0 278.272 0.150 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ncccn1 ZINC000027642648 839390197 /nfs/dbraw/zinc/39/01/97/839390197.db2.gz MQUZLYQZDPJNEZ-UHFFFAOYSA-N 0 0 262.229 0.528 20 5 CCBDRN COC(=O)/C=C\[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001159772389 839571617 /nfs/dbraw/zinc/57/16/17/839571617.db2.gz OCEWGZYMPAVHFD-ZBJFTSOASA-N 0 0 296.283 0.415 20 5 CCBDRN Nc1ncc(CCNc2cc([N+](=O)[O-])cc[n+]2[O-])s1 ZINC001160376695 839796059 /nfs/dbraw/zinc/79/60/59/839796059.db2.gz PJOGOOJORHACJB-UHFFFAOYSA-N 0 0 281.297 0.922 20 5 CCBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1O ZINC001185970485 844480717 /nfs/dbraw/zinc/48/07/17/844480717.db2.gz WBMQLCTWOGAAGM-PRHODGIISA-N 0 0 279.296 0.901 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001143975060 839908658 /nfs/dbraw/zinc/90/86/58/839908658.db2.gz CWTBSMWKBXHOKX-GMTAPVOTSA-N 0 0 294.311 0.783 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001143975061 839908831 /nfs/dbraw/zinc/90/88/31/839908831.db2.gz CWTBSMWKBXHOKX-MXWKQRLJSA-N 0 0 294.311 0.783 20 5 CCBDRN COCC(=O)NC[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001091307082 840177699 /nfs/dbraw/zinc/17/76/99/840177699.db2.gz OIMPHXNHRQTRQS-AOOOYVTPSA-N 0 0 294.311 0.943 20 5 CCBDRN C[C@H](O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001148495070 840822331 /nfs/dbraw/zinc/82/23/31/840822331.db2.gz GQYZEFSHGCWOMG-ZETCQYMHSA-N 0 0 265.269 0.820 20 5 CCBDRN CC(C)NC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000036781918 841223868 /nfs/dbraw/zinc/22/38/68/841223868.db2.gz HEHABIWDGJERLI-UHFFFAOYSA-N 0 0 283.259 0.988 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC12OCCO2 ZINC000715925832 841419085 /nfs/dbraw/zinc/41/90/85/841419085.db2.gz TXLKOBPPOFCCMB-NSHDSACASA-N 0 0 295.295 0.959 20 5 CCBDRN O=C(NCCNc1cc[nH]c(=O)c1[N+](=O)[O-])c1cc[nH]c1 ZINC001094185049 841560749 /nfs/dbraw/zinc/56/07/49/841560749.db2.gz FMXXDHQXKSTLOY-UHFFFAOYSA-N 0 0 291.267 0.865 20 5 CCBDRN C/C=C(\C)C(=O)NCCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001094364330 841621649 /nfs/dbraw/zinc/62/16/49/841621649.db2.gz DNMPYOZZWZLYTP-FPYGCLRLSA-N 0 0 294.315 0.851 20 5 CCBDRN Cc1ccc(NCCCNC(=O)C(N)=O)c([N+](=O)[O-])c1 ZINC001094741899 841717038 /nfs/dbraw/zinc/71/70/38/841717038.db2.gz JSFBQWYTYOTBSO-UHFFFAOYSA-N 0 0 280.284 0.307 20 5 CCBDRN CCNC(=O)CO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001206165943 841935798 /nfs/dbraw/zinc/93/57/98/841935798.db2.gz PIYLFAJUWCCPSW-NSHDSACASA-N 0 0 294.311 0.721 20 5 CCBDRN 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919809648 /nfs/dbraw/zinc/80/96/48/919809648.db2.gz IEDHIOUYSIUPOU-SECBINFHSA-N 0 0 265.269 0.625 20 5 CCBDRN O=[N+]([O-])CCNCc1cnc(N2CCOCC2)s1 ZINC001335326744 920122539 /nfs/dbraw/zinc/12/25/39/920122539.db2.gz HNNLATZQVFFYSG-UHFFFAOYSA-N 0 0 272.330 0.346 20 5 CCBDRN CC(C)(CCC(=O)N1CCSC[C@H]1CO)[N+](=O)[O-] ZINC001336422052 920766286 /nfs/dbraw/zinc/76/62/86/920766286.db2.gz ZEQUYABRBSQTED-SECBINFHSA-N 0 0 276.358 0.758 20 5 CCBDRN O=C1NCCC2(CN(c3ccncc3[N+](=O)[O-])C2)O1 ZINC001336860034 921066111 /nfs/dbraw/zinc/06/61/11/921066111.db2.gz UKNWPCVXKUWPAC-UHFFFAOYSA-N 0 0 264.241 0.679 20 5 CCBDRN COc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])nn1C ZINC001340073717 921944386 /nfs/dbraw/zinc/94/43/86/921944386.db2.gz NSPHVZHUSPFTLQ-UHFFFAOYSA-N 0 0 266.217 0.312 20 5 CCBDRN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC(C)(OC)C1 ZINC001340879141 922253320 /nfs/dbraw/zinc/25/33/20/922253320.db2.gz UAIFETWREPQRHR-QMMMGPOBSA-N 0 0 269.305 0.861 20 5 CCBDRN Cc1nn(C)c(C(=O)NC2(C)CCOCC2)c1[N+](=O)[O-] ZINC001341018385 922315891 /nfs/dbraw/zinc/31/58/91/922315891.db2.gz OYQULPTXBKDVMC-UHFFFAOYSA-N 0 0 282.300 0.936 20 5 CCBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CNOC2)c1C ZINC001341175109 922369180 /nfs/dbraw/zinc/36/91/80/922369180.db2.gz GJTWAGOLJLBWTL-VIFPVBQESA-N 0 0 265.269 0.845 20 5 CCBDRN Cn1c(CCC[N+](=O)[O-])nnc1N(CCCCO)C1CC1 ZINC001341330130 922428169 /nfs/dbraw/zinc/42/81/69/922428169.db2.gz CLKFKCKDNSWCKZ-UHFFFAOYSA-N 0 0 297.359 0.766 20 5 CCBDRN CCO[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001342539109 922995750 /nfs/dbraw/zinc/99/57/50/922995750.db2.gz GLJWRAYJYFAGOQ-JTQLQIEISA-N 0 0 295.295 0.394 20 5 CCBDRN COCCn1c(C[N+](=O)[O-])nnc1N(C)CC1CC1 ZINC001343166615 923221242 /nfs/dbraw/zinc/22/12/42/923221242.db2.gz VFUBCEYOHNBYDG-UHFFFAOYSA-N 0 0 269.305 0.547 20 5 CCBDRN CN1C[C@@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)CCC1=O ZINC001343433110 923313458 /nfs/dbraw/zinc/31/34/58/923313458.db2.gz QZXJCCSDLXKMOF-JTQLQIEISA-N 0 0 296.283 0.345 20 5 CCBDRN COc1cc([N+](=O)[O-])ccc1COC(=O)C1(CO)COC1 ZINC001344479841 923613306 /nfs/dbraw/zinc/61/33/06/923613306.db2.gz ZQUWOHKUYNHIKM-UHFFFAOYSA-N 0 0 297.263 0.656 20 5 CCBDRN CO[C@@H](C(=O)Nc1c([N+](=O)[O-])cnn1C)c1cnn(C)c1 ZINC001344536651 923629297 /nfs/dbraw/zinc/62/92/97/923629297.db2.gz ZCDNXAGFNXPSCT-SECBINFHSA-N 0 0 294.271 0.388 20 5 CCBDRN CN(CC1CC1)c1nnc(C[N+](=O)[O-])n1C[C@H]1CCOC1 ZINC001345381425 923869824 /nfs/dbraw/zinc/86/98/24/923869824.db2.gz ACKDEDOOLGGTFF-LLVKDONJSA-N 0 0 295.343 0.938 20 5 CCBDRN NC(=O)c1cc(N[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC001347177206 924389153 /nfs/dbraw/zinc/38/91/53/924389153.db2.gz BHXZPIDILWWHAT-MRVPVSSYSA-N 0 0 299.308 0.293 20 5 CCBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@]1(C)CCNC(=O)C1 ZINC001347430591 924447051 /nfs/dbraw/zinc/44/70/51/924447051.db2.gz NRUXUVOGOYLNLQ-LDYMZIIASA-N 0 0 258.274 0.501 20 5 CCBDRN CCN(CC(C)=O)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001347760676 924530300 /nfs/dbraw/zinc/53/03/00/924530300.db2.gz XXALTHMNSYSBTF-UHFFFAOYSA-N 0 0 281.268 0.194 20 5 CCBDRN Cc1cncc([N+](=O)[O-])c1N[C@H]1CCNC(=O)CC1 ZINC001348085155 924594177 /nfs/dbraw/zinc/59/41/77/924594177.db2.gz FLOVVBJLZZQQHU-SECBINFHSA-N 0 0 264.285 0.801 20 5 CCBDRN CCOC(=O)[C@@H](NCCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC001349499632 924976769 /nfs/dbraw/zinc/97/67/69/924976769.db2.gz OYIKXIBQQBKLKN-NSHDSACASA-N 0 0 282.300 0.723 20 5 CCBDRN CC(C)n1cnc(NC(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC001349633779 925009295 /nfs/dbraw/zinc/00/92/95/925009295.db2.gz AAZDTGRBXQCTEA-UHFFFAOYSA-N 0 0 279.260 0.753 20 5 CCBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)COCc1ccnn1C ZINC001349804980 925062242 /nfs/dbraw/zinc/06/22/42/925062242.db2.gz DGYLJCYIJUIVCB-JTQLQIEISA-N 0 0 271.273 0.535 20 5 CCBDRN Cc1noc(COC(=O)CCc2nnc[nH]2)c1[N+](=O)[O-] ZINC001350513414 925215180 /nfs/dbraw/zinc/21/51/80/925215180.db2.gz FISHDXJFGKALLH-UHFFFAOYSA-N 0 0 281.228 0.685 20 5 CCBDRN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)[C@H]1O ZINC001351086066 925357835 /nfs/dbraw/zinc/35/78/35/925357835.db2.gz QGZOTVSMDQTXJU-VROVMSAKSA-N 0 0 282.300 0.417 20 5 CCBDRN Cc1nc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001352021207 925510269 /nfs/dbraw/zinc/51/02/69/925510269.db2.gz AGIKMTFMMBAGNG-KOLCDFICSA-N 0 0 263.301 0.834 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCOC2)n1 ZINC001353486081 925847600 /nfs/dbraw/zinc/84/76/00/925847600.db2.gz HTOUAAYZNMEKKH-SSDOTTSWSA-N 0 0 254.246 0.095 20 5 CCBDRN Cc1n[nH]c(C(=O)NCCC[S@](C)=O)c1[N+](=O)[O-] ZINC001354206752 926038257 /nfs/dbraw/zinc/03/82/57/926038257.db2.gz BKZFSRGDZSGRCC-SFHVURJKSA-N 0 0 274.302 0.125 20 5 CCBDRN COC(=O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001355419544 926257883 /nfs/dbraw/zinc/25/78/83/926257883.db2.gz DOJCKQWUHNCTCR-UHFFFAOYSA-N 0 0 281.268 0.980 20 5 CCBDRN NC(=O)c1cc([N+](=O)[O-])cn(Cc2ccns2)c1=O ZINC001472973295 926268268 /nfs/dbraw/zinc/26/82/68/926268268.db2.gz UQDAPERBUBWNBZ-UHFFFAOYSA-N 0 0 280.265 0.360 20 5 CCBDRN CC(F)(F)CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001356790655 926440908 /nfs/dbraw/zinc/44/09/08/926440908.db2.gz FSIIBEQBIJLXSV-HTQZYQBOSA-N 0 0 291.254 0.024 20 5 CCBDRN CC(C)CCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001356811467 926447318 /nfs/dbraw/zinc/44/73/18/926447318.db2.gz UCHAIXWULRJFDY-VXGBXAGGSA-N 0 0 297.355 0.662 20 5 CCBDRN CC(C)OC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001443582147 929651178 /nfs/dbraw/zinc/65/11/78/929651178.db2.gz JAWBBOWMOKVAKQ-UHFFFAOYSA-N 0 0 281.268 0.858 20 5 CCBDRN NC(=O)CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001444517291 929886723 /nfs/dbraw/zinc/88/67/23/929886723.db2.gz QLAYVHXSILIJKS-UHFFFAOYSA-N 0 0 263.253 0.749 20 5 CCBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCC(N)=O ZINC001449227479 931107054 /nfs/dbraw/zinc/10/70/54/931107054.db2.gz SDLXCAPOVLBNIG-UHFFFAOYSA-N 0 0 279.296 0.861 20 5 CCBDRN CC(C)c1nnc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)[nH]1 ZINC001450154831 931239592 /nfs/dbraw/zinc/23/95/92/931239592.db2.gz ZTIYLPJOIVRRMQ-UHFFFAOYSA-N 0 0 293.287 0.349 20 5 CCBDRN C[C@H](CCCO)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001450258089 931250936 /nfs/dbraw/zinc/25/09/36/931250936.db2.gz LADKSSWHCKNJSH-SNVBAGLBSA-N 0 0 297.311 0.281 20 5 CCBDRN CC(=O)C1(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001450949341 931364020 /nfs/dbraw/zinc/36/40/20/931364020.db2.gz RPQLRVFEGHAFME-UHFFFAOYSA-N 0 0 272.648 0.823 20 5 CCBDRN C[C@@H]1C[C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)[C@H](C)O1 ZINC001451635460 931463337 /nfs/dbraw/zinc/46/33/37/931463337.db2.gz MOARMRRIJVRONB-VGMNWLOBSA-N 0 0 282.300 0.872 20 5 CCBDRN C[C@](CO)([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001592750872 979317277 /nfs/dbraw/zinc/31/72/77/979317277.db2.gz WGRLATOOMYEWQI-CYBMUJFWSA-N 0 0 298.295 0.789 20 5 CCBDRN C[C@@](CO)([NH2+]C[C@](C)(O)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593411082 995184630 /nfs/dbraw/zinc/18/46/30/995184630.db2.gz KIXCKNNPYKYZCF-STQMWFEESA-N 0 0 298.295 0.228 20 5 CCBDRN COC[C@H](O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599179803 996922211 /nfs/dbraw/zinc/92/22/11/996922211.db2.gz WMYRSDWNQDVSKP-DGCLKSJQSA-N 0 0 298.295 0.492 20 5 CCBDRN COCC[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599244929 998124094 /nfs/dbraw/zinc/12/40/94/998124094.db2.gz ONYLEMMFHMFDGA-UHFFFAOYSA-N 0 0 284.268 0.794 20 5 CCBDRN C[C@@](O)(CO)CNc1nc2sccn2c1[N+](=O)[O-] ZINC000090287948 349435314 /nfs/dbraw/zinc/43/53/14/349435314.db2.gz KTXDLDUYZHGIJT-VIFPVBQESA-N 0 0 272.286 0.459 20 5 CCBDRN C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000167639435 334928625 /nfs/dbraw/zinc/92/86/25/334928625.db2.gz YRAXJGVIEWYUAY-WCBMZHEXSA-N 0 0 283.284 0.155 20 5 CCBDRN CCc1nn(C)c(N2CCC[C@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000091731276 349473732 /nfs/dbraw/zinc/47/37/32/349473732.db2.gz ALWNRNJRXQSIHL-SECBINFHSA-N 0 0 295.343 0.983 20 5 CCBDRN C[C@@H](Cn1cncn1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124686900 187148826 /nfs/dbraw/zinc/14/88/26/187148826.db2.gz JMEFWZWCNKMUAI-QMMMGPOBSA-N 0 0 291.271 0.792 20 5 CCBDRN Cc1noc(CN2C[C@](C)(CO)[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000599627621 361763376 /nfs/dbraw/zinc/76/33/76/361763376.db2.gz YCWPMJTUSRIKKJ-BETUJISGSA-N 0 0 299.327 0.704 20 5 CCBDRN CCn1cc([N+](=O)[O-])c(C(=O)NCc2cc(C)n[nH]2)n1 ZINC000617407245 365629098 /nfs/dbraw/zinc/62/90/98/365629098.db2.gz ONNKHIGKRSUJNP-UHFFFAOYSA-N 0 0 278.272 0.773 20 5 CCBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](O)C1CC1 ZINC000337615979 214182523 /nfs/dbraw/zinc/18/25/23/214182523.db2.gz DOQMHNWHVSRACT-NSHDSACASA-N 0 0 265.269 0.799 20 5 CCBDRN CCc1n[nH]c(C(=O)NCc2cnnn2CC)c1[N+](=O)[O-] ZINC000600159264 361879162 /nfs/dbraw/zinc/87/91/62/361879162.db2.gz RPGWSGRWJUCYCU-UHFFFAOYSA-N 0 0 293.287 0.422 20 5 CCBDRN Cc1cc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000600216525 361894390 /nfs/dbraw/zinc/89/43/90/361894390.db2.gz ZHIVQLUBOHMVJS-RYUDHWBXSA-N 0 0 294.307 0.576 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1CC=CC1 ZINC000600230392 361897013 /nfs/dbraw/zinc/89/70/13/361897013.db2.gz SBHRJBSTIUKMTP-UHFFFAOYSA-N 0 0 277.280 0.839 20 5 CCBDRN CCNC(=O)CCS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000337893248 214304402 /nfs/dbraw/zinc/30/44/02/214304402.db2.gz JJAGXCBNGQUJDJ-UHFFFAOYSA-N 0 0 286.309 0.895 20 5 CCBDRN Cc1ncccc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000600387916 361939684 /nfs/dbraw/zinc/93/96/84/361939684.db2.gz HCCPKCSQRQIYMG-UHFFFAOYSA-N 0 0 276.256 0.206 20 5 CCBDRN CN1CCOC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000600422983 361958641 /nfs/dbraw/zinc/95/86/41/361958641.db2.gz YGIJUZBDCAVUNR-SNVBAGLBSA-N 0 0 280.284 0.050 20 5 CCBDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000600442561 361961287 /nfs/dbraw/zinc/96/12/87/361961287.db2.gz RTRKFZXTQBVLTQ-JVZYCSMKSA-N 0 0 268.273 0.860 20 5 CCBDRN COC(=O)COCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000600402979 361950429 /nfs/dbraw/zinc/95/04/29/361950429.db2.gz FCZGUDREJGWNRS-UHFFFAOYSA-N 0 0 296.279 0.823 20 5 CCBDRN 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C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)c2ncnn21 ZINC000597933303 361286313 /nfs/dbraw/zinc/28/63/13/361286313.db2.gz HDRHXQCOUQEELS-SFYZADRCSA-N 0 0 290.283 0.961 20 5 CCBDRN COCC1(N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000597941723 361286655 /nfs/dbraw/zinc/28/66/55/361286655.db2.gz XWFAICSIKKGISX-UHFFFAOYSA-N 0 0 254.246 0.569 20 5 CCBDRN CC[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H](C)O ZINC000563936447 291259312 /nfs/dbraw/zinc/25/93/12/291259312.db2.gz RYYNPNDPLXNBHF-SFYZADRCSA-N 0 0 289.313 0.428 20 5 CCBDRN CCc1n[nH]c(C(=O)NCC=CCO)c1[N+](=O)[O-] ZINC000597991888 361300704 /nfs/dbraw/zinc/30/07/04/361300704.db2.gz IUIKCKJIODAJAT-ONEGZZNKSA-N 0 0 254.246 0.159 20 5 CCBDRN C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000598017721 361317072 /nfs/dbraw/zinc/31/70/72/361317072.db2.gz CTGDPTMLCVWMOA-UWVGGRQHSA-N 0 0 296.327 0.951 20 5 CCBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C1(CO)CC1 ZINC000598035984 361319899 /nfs/dbraw/zinc/31/98/99/361319899.db2.gz GTFCSYDUTIPMCI-ZCFIWIBFSA-N 0 0 254.246 0.209 20 5 CCBDRN CCn1cc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)nn1 ZINC000598142633 361344240 /nfs/dbraw/zinc/34/42/40/361344240.db2.gz RFRHRLCWWKRBBD-UHFFFAOYSA-N 0 0 290.283 0.840 20 5 CCBDRN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1CCO ZINC000598067869 361330858 /nfs/dbraw/zinc/33/08/58/361330858.db2.gz QBVGXHGXJUBKTF-PSASIEDQSA-N 0 0 282.300 0.941 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000598112828 361337390 /nfs/dbraw/zinc/33/73/90/361337390.db2.gz FKOGXHHPUNPCAU-RKDXNWHRSA-N 0 0 294.311 0.783 20 5 CCBDRN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)C1O ZINC000598185986 361350781 /nfs/dbraw/zinc/35/07/81/361350781.db2.gz JGQLOUHQCXYWNZ-IUCAKERBSA-N 0 0 282.300 0.267 20 5 CCBDRN C[C@H](CO)Nc1nc(N[C@@H](C)CO)sc1[N+](=O)[O-] ZINC000301534654 201054623 /nfs/dbraw/zinc/05/46/23/201054623.db2.gz MEGVJBJXJWTCGM-RITPCOANSA-N 0 0 276.318 0.637 20 5 CCBDRN CCn1ncc(C)c1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598198295 361354105 /nfs/dbraw/zinc/35/41/05/361354105.db2.gz AUMVZDANVCBHAQ-UHFFFAOYSA-N 0 0 278.272 0.955 20 5 CCBDRN CCc1n[nH]c(C(=O)NC[C@H](O)CC)c1[N+](=O)[O-] ZINC000598197013 361354261 /nfs/dbraw/zinc/35/42/61/361354261.db2.gz JEIRNPRSGSJVRQ-ZCFIWIBFSA-N 0 0 256.262 0.381 20 5 CCBDRN CN(Cc1cn(C)nn1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598224080 361358113 /nfs/dbraw/zinc/35/81/13/361358113.db2.gz AMXMCPKKOVBUAA-UHFFFAOYSA-N 0 0 264.245 0.324 20 5 CCBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](O)C23CCC3)n1 ZINC000598310933 361387293 /nfs/dbraw/zinc/38/72/93/361387293.db2.gz ODTFUERZNGIABX-IUCAKERBSA-N 0 0 280.284 0.362 20 5 CCBDRN Cn1c(C(=O)N[C@@H]2C[C@H](O)C23CCC3)ccc1[N+](=O)[O-] ZINC000598312589 361387331 /nfs/dbraw/zinc/38/73/31/361387331.db2.gz RBEMTSABUBFXPW-ZJUUUORDSA-N 0 0 279.296 0.967 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1C[C@H](O)C12CCC2 ZINC000598315143 361387972 /nfs/dbraw/zinc/38/79/72/361387972.db2.gz ZQHLZCVWABGNMX-UWVGGRQHSA-N 0 0 280.284 0.211 20 5 CCBDRN CCOC(=O)c1cc(N2CC(O)C2)ccc1[N+](=O)[O-] ZINC000301598089 201090395 /nfs/dbraw/zinc/09/03/95/201090395.db2.gz XJYMNENVBREDFZ-UHFFFAOYSA-N 0 0 266.253 0.952 20 5 CCBDRN COC(=O)[C@@](C)(CCF)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598285532 361376395 /nfs/dbraw/zinc/37/63/95/361376395.db2.gz USGGSDOLXGBBHW-LLVKDONJSA-N 0 0 287.247 0.944 20 5 CCBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]2COC[C@H]2C1 ZINC000598395597 361404068 /nfs/dbraw/zinc/40/40/68/361404068.db2.gz PTNYWSPYBXELPZ-VHSXEESVSA-N 0 0 280.284 0.286 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000598397582 361404194 /nfs/dbraw/zinc/40/41/94/361404194.db2.gz WDSFBXKOPLQJPF-ZJUUUORDSA-N 0 0 280.284 0.286 20 5 CCBDRN CCc1n[nH]c(C(=O)N2CC[C@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000598394342 361404214 /nfs/dbraw/zinc/40/42/14/361404214.db2.gz NCUGOLJOYHPWFL-IUCAKERBSA-N 0 0 294.311 0.989 20 5 CCBDRN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1nccn1C ZINC000598465311 361424456 /nfs/dbraw/zinc/42/44/56/361424456.db2.gz PRAMNEQQHNNCFG-LURJTMIESA-N 0 0 264.245 0.542 20 5 CCBDRN COC(=O)c1ccnc(SCCO)c1[N+](=O)[O-] ZINC000598584949 361449135 /nfs/dbraw/zinc/44/91/35/361449135.db2.gz KGWUYDWKDSGLHB-UHFFFAOYSA-N 0 0 258.255 0.861 20 5 CCBDRN Nc1c(C(=O)NCCOCCF)cccc1[N+](=O)[O-] ZINC000598563085 361446195 /nfs/dbraw/zinc/44/61/95/361446195.db2.gz YLOFTHSSDFULCB-UHFFFAOYSA-N 0 0 271.248 0.893 20 5 CCBDRN CC1CCC(O)(CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000598560710 361446451 /nfs/dbraw/zinc/44/64/51/361446451.db2.gz STLGIVSQZPRZKX-UHFFFAOYSA-N 0 0 296.327 0.999 20 5 CCBDRN CCn1c(C)nc([N+](=O)[O-])c1N1Cc2nn(C)c(N)c2C1 ZINC000598631448 361467493 /nfs/dbraw/zinc/46/74/93/361467493.db2.gz NREGJNOHMWJOFH-UHFFFAOYSA-N 0 0 291.315 0.956 20 5 CCBDRN COC(=O)c1ccnc(N[C@H](CO)CCF)c1[N+](=O)[O-] ZINC000598631436 361467627 /nfs/dbraw/zinc/46/76/27/361467627.db2.gz QVVOWPQFFPTNQM-ZETCQYMHSA-N 0 0 287.247 0.909 20 5 CCBDRN COC(=O)c1ccnc(NCCn2cnnc2)c1[N+](=O)[O-] ZINC000598628217 361467648 /nfs/dbraw/zinc/46/76/48/361467648.db2.gz LTBCQKSYIRZTDZ-UHFFFAOYSA-N 0 0 292.255 0.480 20 5 CCBDRN C[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1CO ZINC000598654489 361473314 /nfs/dbraw/zinc/47/33/14/361473314.db2.gz HRLDMXXHWFBMJC-ZJUUUORDSA-N 0 0 294.311 0.894 20 5 CCBDRN C[C@H]1[C@@H](CO)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598739689 361504053 /nfs/dbraw/zinc/50/40/53/361504053.db2.gz JUSBSVXRSISZCL-DTWKUNHWSA-N 0 0 282.300 0.561 20 5 CCBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@]1(C)CO ZINC000598777751 361514812 /nfs/dbraw/zinc/51/48/12/361514812.db2.gz ZUWCKTKVGGOVQN-AMIZOPFISA-N 0 0 295.295 0.786 20 5 CCBDRN C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000598784633 361515501 /nfs/dbraw/zinc/51/55/01/361515501.db2.gz LLGVNDSNKYKUSY-QWRGUYRKSA-N 0 0 296.327 0.658 20 5 CCBDRN C[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1CO ZINC000598786167 361516720 /nfs/dbraw/zinc/51/67/20/361516720.db2.gz RWRWQGHVQYIDQG-JGVFFNPUSA-N 0 0 268.273 0.408 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)COCC(F)(F)F ZINC000598830820 361522032 /nfs/dbraw/zinc/52/20/32/361522032.db2.gz DWQIMFGBQRCGKT-UHFFFAOYSA-N 0 0 282.178 0.846 20 5 CCBDRN O=C(N[C@@H]1CCn2cncc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000598947985 361537433 /nfs/dbraw/zinc/53/74/33/361537433.db2.gz NPIIMRWKKXYPMY-MRVPVSSYSA-N 0 0 275.268 0.864 20 5 CCBDRN CCc1nn(C)c(NCC(=O)N2CCCO2)c1[N+](=O)[O-] ZINC000599091050 361571906 /nfs/dbraw/zinc/57/19/06/361571906.db2.gz WGEKKFVNMXUFMP-UHFFFAOYSA-N 0 0 283.288 0.467 20 5 CCBDRN Cn1ncc2c1CN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C2 ZINC000598939371 361534984 /nfs/dbraw/zinc/53/49/84/361534984.db2.gz GYXKFJCTRFOADT-UHFFFAOYSA-N 0 0 289.251 0.585 20 5 CCBDRN CCc1nn(C)c(NC[C@@H](O)CC(=O)OC)c1[N+](=O)[O-] ZINC000599163407 361593828 /nfs/dbraw/zinc/59/38/28/361593828.db2.gz BYLFWTXHFZJSGE-ZETCQYMHSA-N 0 0 286.288 0.227 20 5 CCBDRN C[C@]1(CO)CN(c2cccnc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599165290 361595127 /nfs/dbraw/zinc/59/51/27/361595127.db2.gz OOJXICREMVGOIQ-BETUJISGSA-N 0 0 281.312 0.807 20 5 CCBDRN COC(=O)CCNC(=O)CCNc1ccc([N+](=O)[O-])nc1 ZINC000599171136 361597302 /nfs/dbraw/zinc/59/73/02/361597302.db2.gz WEJYFXSGMLLDDP-UHFFFAOYSA-N 0 0 296.283 0.471 20 5 CCBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1COC1 ZINC000599175866 361599925 /nfs/dbraw/zinc/59/99/25/361599925.db2.gz NRDHDSUETHRSFG-UHFFFAOYSA-N 0 0 287.297 0.301 20 5 CCBDRN NC(=O)C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCO1 ZINC000599187280 361603816 /nfs/dbraw/zinc/60/38/16/361603816.db2.gz QDWSJGMXFOZQNX-MRVPVSSYSA-N 0 0 284.247 0.210 20 5 CCBDRN Cc1cccc([N+](=O)[O-])c1N1CCO[C@H](CC(N)=O)C1 ZINC000599186919 361604169 /nfs/dbraw/zinc/60/41/69/361604169.db2.gz KVXFFEUOMNSLKX-SNVBAGLBSA-N 0 0 279.296 0.984 20 5 CCBDRN COC[C@]1(C)CN(c2ccc(N)c([N+](=O)[O-])n2)CCO1 ZINC000599202584 361610129 /nfs/dbraw/zinc/61/01/29/361610129.db2.gz QTCGGLSITJKUBX-LBPRGKRZSA-N 0 0 282.300 0.814 20 5 CCBDRN CCn1nncc1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000599116231 361579218 /nfs/dbraw/zinc/57/92/18/361579218.db2.gz PMFRQXIGEBICJL-UHFFFAOYSA-N 0 0 290.283 0.917 20 5 CCBDRN NC(=O)c1ccnc(NC[C@H](O)[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000599132169 361584254 /nfs/dbraw/zinc/58/42/54/361584254.db2.gz FTEZLZWENBFZFE-DTWKUNHWSA-N 0 0 296.283 0.041 20 5 CCBDRN CC[C@@H]1CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599230027 361616728 /nfs/dbraw/zinc/61/67/28/361616728.db2.gz HFCCSUZUENDIDZ-MRVPVSSYSA-N 0 0 288.329 0.891 20 5 CCBDRN COC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)C(N)=O ZINC000301857197 201235401 /nfs/dbraw/zinc/23/54/01/201235401.db2.gz ZOQLHEKWAFKWBZ-ZETCQYMHSA-N 0 0 254.246 0.210 20 5 CCBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H]1CCO ZINC000301904643 201254649 /nfs/dbraw/zinc/25/46/49/201254649.db2.gz FELSHMYETJCMLD-QMMMGPOBSA-N 0 0 253.258 0.910 20 5 CCBDRN C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1C ZINC000599314974 361648452 /nfs/dbraw/zinc/64/84/52/361648452.db2.gz CGEZYZSIHFMWPW-RNFRBKRXSA-N 0 0 274.302 0.357 20 5 CCBDRN Cc1nn(C[C@@H]2CN(C)C(=O)O2)c(C)c1[N+](=O)[O-] ZINC000495589834 239105756 /nfs/dbraw/zinc/10/57/56/239105756.db2.gz QGYCIOPHEPUBRO-QMMMGPOBSA-N 0 0 254.246 0.859 20 5 CCBDRN O=C1NC[C@@H](COc2ccc([N+](=O)[O-])c(CO)c2)O1 ZINC000495646874 239174344 /nfs/dbraw/zinc/17/43/44/239174344.db2.gz KGAWLEIGIIULPA-VIFPVBQESA-N 0 0 268.225 0.574 20 5 CCBDRN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[C@@H]1C ZINC000342558039 216401371 /nfs/dbraw/zinc/40/13/71/216401371.db2.gz KTWCJGBRNPBRFT-WCBMZHEXSA-N 0 0 282.300 0.825 20 5 CCBDRN CNC(=O)[C@H](CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000302180955 201385459 /nfs/dbraw/zinc/38/54/59/201385459.db2.gz YKPGDLDMIXVLSD-QMMMGPOBSA-N 0 0 257.221 0.253 20 5 CCBDRN O=C(OC[C@@H]1CNC(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000495786470 239351230 /nfs/dbraw/zinc/35/12/30/239351230.db2.gz UTFLECXHFFZSSS-VIFPVBQESA-N 0 0 266.209 0.860 20 5 CCBDRN O=[N+]([O-])c1ccc(Cc2noc(Cn3cncn3)n2)nc1 ZINC000612967565 364057478 /nfs/dbraw/zinc/05/74/78/364057478.db2.gz LJXQSPJFGAIXDA-UHFFFAOYSA-N 0 0 287.239 0.603 20 5 CCBDRN CC[C@H]1CN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000342755793 216513058 /nfs/dbraw/zinc/51/30/58/216513058.db2.gz RAPQHGGTQDFOTJ-KWQFWETISA-N 0 0 295.295 0.984 20 5 CCBDRN Cc1cccc(N2CC[C@@H](S(N)(=O)=O)C2)c1[N+](=O)[O-] ZINC000614976848 364799715 /nfs/dbraw/zinc/79/97/15/364799715.db2.gz MEBQYODIZQRUSK-SECBINFHSA-N 0 0 285.325 0.770 20 5 CCBDRN CC(C)(CCC(=O)N1CCN2C(=O)OCC[C@H]2C1)[N+](=O)[O-] ZINC000496479980 240109664 /nfs/dbraw/zinc/10/96/64/240109664.db2.gz ZGRYJZVMPNUCIN-JTQLQIEISA-N 0 0 299.327 0.875 20 5 CCBDRN C[C@H]1OC(=O)N[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000496549799 240166257 /nfs/dbraw/zinc/16/62/57/240166257.db2.gz MTJIMWSBARZADX-GMSGAONNSA-N 0 0 279.252 0.708 20 5 CCBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cn[nH]n1 ZINC000615703135 365057057 /nfs/dbraw/zinc/05/70/57/365057057.db2.gz MXLMLXJVYBCESK-UHFFFAOYSA-N 0 0 297.296 0.729 20 5 CCBDRN O=[N+]([O-])c1ccn(CCN2C[C@@H](O)CC(F)(F)C2)n1 ZINC000615823128 365096255 /nfs/dbraw/zinc/09/62/55/365096255.db2.gz WRPLCRIBOYEGIK-QMMMGPOBSA-N 0 0 276.243 0.493 20 5 CCBDRN COC(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000275288672 192989728 /nfs/dbraw/zinc/98/97/28/192989728.db2.gz ODHSBGFEHIIRHX-UHFFFAOYSA-N 0 0 267.241 0.606 20 5 CCBDRN COC[C@H](O)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000275328498 193000929 /nfs/dbraw/zinc/00/09/29/193000929.db2.gz FRIQDRSPDWTIGS-MRVPVSSYSA-N 0 0 267.285 0.982 20 5 CCBDRN CC[C@@H](CO)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000275431500 193033357 /nfs/dbraw/zinc/03/33/57/193033357.db2.gz KVQYPICTDITCAK-JTQLQIEISA-N 0 0 296.279 0.882 20 5 CCBDRN CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1O ZINC000275734720 193115819 /nfs/dbraw/zinc/11/58/19/193115819.db2.gz BKQUDMOEDZBQFO-SNVBAGLBSA-N 0 0 282.300 0.411 20 5 CCBDRN COCCO[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000275823883 193139043 /nfs/dbraw/zinc/13/90/43/193139043.db2.gz NLYSSSOCAIVMSV-VIFPVBQESA-N 0 0 270.289 0.570 20 5 CCBDRN CNc1nccc(C(=O)NCC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000565194750 291356339 /nfs/dbraw/zinc/35/63/39/291356339.db2.gz NNBAUIKYXHULOW-SECBINFHSA-N 0 0 294.311 0.610 20 5 CCBDRN COCC1(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000565279446 291368673 /nfs/dbraw/zinc/36/86/73/291368673.db2.gz UEPBHAUHDHHVQS-UHFFFAOYSA-N 0 0 253.258 0.842 20 5 CCBDRN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@H](O)CC1 ZINC000275882273 193155682 /nfs/dbraw/zinc/15/56/82/193155682.db2.gz HVVYOJQLRMHPPG-HOMQSWHASA-N 0 0 282.300 0.553 20 5 CCBDRN C[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1CO ZINC000275949118 193170820 /nfs/dbraw/zinc/17/08/20/193170820.db2.gz DOCHGNVCMVRLPS-POYBYMJQSA-N 0 0 254.246 0.161 20 5 CCBDRN Cc1cc([N+](=O)[O-])cnc1NCCc1nnc(N)o1 ZINC000275957165 193173919 /nfs/dbraw/zinc/17/39/19/193173919.db2.gz BKDKHMTYBPFCHF-UHFFFAOYSA-N 0 0 264.245 0.918 20 5 CCBDRN CO[C@@H]1COC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000566564619 291424078 /nfs/dbraw/zinc/42/40/78/291424078.db2.gz YOULNCDYWLVIOJ-ZYHUDNBSSA-N 0 0 280.280 0.667 20 5 CCBDRN CC(C)(C(=O)N1CC[C@H](CO)C1)n1cc([N+](=O)[O-])cn1 ZINC000330486730 202880164 /nfs/dbraw/zinc/88/01/64/202880164.db2.gz DNYQECIPGAEDJZ-VIFPVBQESA-N 0 0 282.300 0.367 20 5 CCBDRN CC(C)(C(=O)N1CC[C@H](CCO)C1)n1cc([N+](=O)[O-])cn1 ZINC000330488861 202882396 /nfs/dbraw/zinc/88/23/96/202882396.db2.gz KXHFEBPKKKYAIN-SNVBAGLBSA-N 0 0 296.327 0.757 20 5 CCBDRN CCC[C@@H](C)[C@@H](CO)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000566688021 291431762 /nfs/dbraw/zinc/43/17/62/291431762.db2.gz RQEFRUOWCZVPFI-PSASIEDQSA-N 0 0 296.327 0.929 20 5 CCBDRN CC[C@@](C)(CO)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000330530917 202929403 /nfs/dbraw/zinc/92/94/03/202929403.db2.gz BAHGHFRGSROCAQ-NSHDSACASA-N 0 0 270.289 0.528 20 5 CCBDRN CC[C@@](C)(O)CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000330648621 203077047 /nfs/dbraw/zinc/07/70/47/203077047.db2.gz IEFBJONPOKQNCM-SNVBAGLBSA-N 0 0 256.262 0.219 20 5 CCBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(=O)N(C)C1 ZINC000330711913 203142815 /nfs/dbraw/zinc/14/28/15/203142815.db2.gz AQJYOIHKSDVYCH-UHFFFAOYSA-N 0 0 299.308 0.323 20 5 CCBDRN Cc1nn(C[C@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000330715524 203147094 /nfs/dbraw/zinc/14/70/94/203147094.db2.gz BFYVJJJWJWRZBW-JTQLQIEISA-N 0 0 285.300 0.656 20 5 CCBDRN CC[C@H](O)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000330703867 203133698 /nfs/dbraw/zinc/13/36/98/203133698.db2.gz QJDLNDWGDTULOR-QMMMGPOBSA-N 0 0 270.289 0.528 20 5 CCBDRN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000330786820 203235655 /nfs/dbraw/zinc/23/56/55/203235655.db2.gz WDRXIKCGAKATLR-HTQZYQBOSA-N 0 0 268.273 0.863 20 5 CCBDRN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1CO ZINC000226330614 189773070 /nfs/dbraw/zinc/77/30/70/189773070.db2.gz UALIQGJZNRDBBR-XCBNKYQSSA-N 0 0 253.258 0.766 20 5 CCBDRN O=C(N[C@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])s1 ZINC000104094880 284166346 /nfs/dbraw/zinc/16/63/46/284166346.db2.gz AMXLEZSLDASXOP-LURJTMIESA-N 0 0 269.282 0.665 20 5 CCBDRN C[C@@H](O)C[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330927217 203395963 /nfs/dbraw/zinc/39/59/63/203395963.db2.gz XYHAKSIGLMYNNW-PSASIEDQSA-N 0 0 283.284 0.535 20 5 CCBDRN C[C@H](O)C[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330927219 203396083 /nfs/dbraw/zinc/39/60/83/203396083.db2.gz XYHAKSIGLMYNNW-WCBMZHEXSA-N 0 0 283.284 0.535 20 5 CCBDRN O=[N+]([O-])c1cccc(OS(=O)(=O)C2COC2)c1 ZINC000276360798 193299902 /nfs/dbraw/zinc/29/99/02/193299902.db2.gz SZZZERGUVSQCON-UHFFFAOYSA-N 0 0 259.239 0.702 20 5 CCBDRN CCC(O)(CC)CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000276479898 193348704 /nfs/dbraw/zinc/34/87/04/193348704.db2.gz QOCZIUNFCXWJDT-UHFFFAOYSA-N 0 0 284.316 0.999 20 5 CCBDRN NC(=O)[C@@]1(O)CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000276601287 193395935 /nfs/dbraw/zinc/39/59/35/193395935.db2.gz RCMYNJALBWBJCT-LLVKDONJSA-N 0 0 285.687 0.675 20 5 CCBDRN CO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1OC ZINC000276821103 193469308 /nfs/dbraw/zinc/46/93/08/193469308.db2.gz GDLNXVNFESGOCJ-DTORHVGOSA-N 0 0 270.241 0.674 20 5 CCBDRN COC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000331292042 203688757 /nfs/dbraw/zinc/68/87/57/203688757.db2.gz KTKIUOWDPHYDHX-DTWKUNHWSA-N 0 0 298.299 0.204 20 5 CCBDRN COC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000277274235 193605209 /nfs/dbraw/zinc/60/52/09/193605209.db2.gz QLVKWUVCGZYJLQ-SNVBAGLBSA-N 0 0 298.295 0.995 20 5 CCBDRN Cn1ncnc1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357046283 294627949 /nfs/dbraw/zinc/62/79/49/294627949.db2.gz CXRRHRMLSMIXBY-UHFFFAOYSA-N 0 0 282.281 0.697 20 5 CCBDRN O=C(N[C@H]1CCn2ccnc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000427987453 284242756 /nfs/dbraw/zinc/24/27/56/284242756.db2.gz BGRFKYDYIPGEKV-QMMMGPOBSA-N 0 0 275.268 0.864 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000331827756 204210601 /nfs/dbraw/zinc/21/06/01/204210601.db2.gz BHMRNRBXEPDFMR-MRVPVSSYSA-N 0 0 278.268 0.370 20 5 CCBDRN CCC1(O)CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000331909138 204284273 /nfs/dbraw/zinc/28/42/73/204284273.db2.gz GAOSBONPQPHDFL-UHFFFAOYSA-N 0 0 265.269 0.895 20 5 CCBDRN O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000357923880 284265443 /nfs/dbraw/zinc/26/54/43/284265443.db2.gz ADWRJLRTZLCGIA-VROVMSAKSA-N 0 0 292.247 0.698 20 5 CCBDRN CC(C)(C(=O)N[C@H]1C[C@@H](O)C1(C)C)n1cc([N+](=O)[O-])cn1 ZINC000331962119 204339718 /nfs/dbraw/zinc/33/97/18/204339718.db2.gz KJABWICTOJHLOW-VHSXEESVSA-N 0 0 296.327 0.802 20 5 CCBDRN C[C@H](CO)N(CC1CCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000331979490 204357455 /nfs/dbraw/zinc/35/74/55/204357455.db2.gz MTWYJUBPBFBPCT-SECBINFHSA-N 0 0 296.327 0.951 20 5 CCBDRN COC1(C)CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000332014122 204389874 /nfs/dbraw/zinc/38/98/74/204389874.db2.gz KMUUIFNZNNEVBN-UHFFFAOYSA-N 0 0 282.300 0.737 20 5 CCBDRN CCc1n[nH]c(C(=O)N2CC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000332732403 204932362 /nfs/dbraw/zinc/93/23/62/204932362.db2.gz WHDMLPLYDACSGA-SSDOTTSWSA-N 0 0 268.273 0.335 20 5 CCBDRN O=C1NC2(CCCC2)C(=O)N1CCn1cnc([N+](=O)[O-])n1 ZINC000345466920 217569381 /nfs/dbraw/zinc/56/93/81/217569381.db2.gz ZGDJYBGLRUEYCO-UHFFFAOYSA-N 0 0 294.271 0.051 20 5 CCBDRN C[C@@H](Cc1ccsc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000048820055 284488540 /nfs/dbraw/zinc/48/85/40/284488540.db2.gz FKDBANLPLCUIPN-QMMMGPOBSA-N 0 0 295.324 0.995 20 5 CCBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ncccc1O ZINC000049446749 284506656 /nfs/dbraw/zinc/50/66/56/284506656.db2.gz XIMOVLRMDBMFCB-UHFFFAOYSA-N 0 0 277.240 0.839 20 5 CCBDRN C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000129427983 288386148 /nfs/dbraw/zinc/38/61/48/288386148.db2.gz XRQKGMFPNOWDBR-PSASIEDQSA-N 0 0 298.270 0.956 20 5 CCBDRN Nc1ccc(C(=O)N[C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000278043363 193823494 /nfs/dbraw/zinc/82/34/94/193823494.db2.gz ILSWXLTWSPDAEL-CYBMUJFWSA-N 0 0 295.295 0.448 20 5 CCBDRN COC(=O)c1cnc(N2CC(=O)N[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000295849097 284597520 /nfs/dbraw/zinc/59/75/20/284597520.db2.gz XJGAUOKQVSDTRR-SSDOTTSWSA-N 0 0 294.267 0.101 20 5 CCBDRN COC(=O)c1cnc(N2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302756319 284601411 /nfs/dbraw/zinc/60/14/11/284601411.db2.gz ISRPYZVEINSIDO-LDYMZIIASA-N 0 0 295.295 0.984 20 5 CCBDRN CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000087031852 284620282 /nfs/dbraw/zinc/62/02/82/284620282.db2.gz JNKGGLBBIITHCW-NSHDSACASA-N 0 0 255.274 0.824 20 5 CCBDRN COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000108627328 284638475 /nfs/dbraw/zinc/63/84/75/284638475.db2.gz LKMVTTDZOIBODW-MRVPVSSYSA-N 0 0 281.268 0.568 20 5 CCBDRN CNc1nc(C(=O)NC[C@H](O)C(C)C)ccc1[N+](=O)[O-] ZINC000455971724 249031564 /nfs/dbraw/zinc/03/15/64/249031564.db2.gz NJJXVUPKTRFWQZ-JTQLQIEISA-N 0 0 282.300 0.778 20 5 CCBDRN Cn1cc(CN2CC(Oc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000459625799 249048313 /nfs/dbraw/zinc/04/83/13/249048313.db2.gz YTOCEBWUZXEAQP-UHFFFAOYSA-N 0 0 289.295 0.987 20 5 CCBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCN2C(=O)OC[C@@H]2C1 ZINC000374579392 296262904 /nfs/dbraw/zinc/26/29/04/296262904.db2.gz WNZCVQLLZFILLS-VIFPVBQESA-N 0 0 291.263 0.871 20 5 CCBDRN CCOc1cc(CN2C[C@@H](O)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000459671756 249051788 /nfs/dbraw/zinc/05/17/88/249051788.db2.gz GBUAUZVTGSSKJP-WCQYABFASA-N 0 0 296.323 0.779 20 5 CCBDRN Nc1ncc2c(n1)CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 ZINC000515034727 249117152 /nfs/dbraw/zinc/11/71/52/249117152.db2.gz ZSDPVJLBBNDBGD-UHFFFAOYSA-N 0 0 288.267 0.324 20 5 CCBDRN COc1cccc(C(=O)NCCCCC(N)=O)c1[N+](=O)[O-] ZINC000514707950 249100355 /nfs/dbraw/zinc/10/03/55/249100355.db2.gz CCBXXYKIIGLVGS-UHFFFAOYSA-N 0 0 295.295 0.989 20 5 CCBDRN Cc1ccc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)o1 ZINC000516096088 249151563 /nfs/dbraw/zinc/15/15/63/249151563.db2.gz JVTCSFMQDLVEKK-UHFFFAOYSA-N 0 0 279.256 0.447 20 5 CCBDRN NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000515447019 249134932 /nfs/dbraw/zinc/13/49/32/249134932.db2.gz SCAHQGRLRFQEBW-UHFFFAOYSA-N 0 0 251.246 0.191 20 5 CCBDRN 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293.283 0.653 20 5 CCBDRN O=C(c1cn[nH]n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359615724 284755158 /nfs/dbraw/zinc/75/51/58/284755158.db2.gz MAOKAVOMJRKXAO-UHFFFAOYSA-N 0 0 289.251 0.748 20 5 CCBDRN O=C1C[C@H](N2CCc3ccc([N+](=O)[O-])cc3C2)C(=O)N1 ZINC000569937801 291721580 /nfs/dbraw/zinc/72/15/80/291721580.db2.gz OEHSZAHSCNFCPP-NSHDSACASA-N 0 0 275.264 0.368 20 5 CCBDRN COc1cc(N2CC[C@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000278834589 194175594 /nfs/dbraw/zinc/17/55/94/194175594.db2.gz VJGRTCPOWJMLBY-GFCCVEGCSA-N 0 0 281.268 0.030 20 5 CCBDRN Cc1noc(NC(=O)Cn2ccc(C)c([N+](=O)[O-])c2=O)n1 ZINC000129933983 284777989 /nfs/dbraw/zinc/77/79/89/284777989.db2.gz HHEHAGVZJBZYJR-UHFFFAOYSA-N 0 0 293.239 0.395 20 5 CCBDRN Cc1nn(C)c(C(=O)N[C@@H](CO)C(C)(C)C)c1[N+](=O)[O-] ZINC000278942996 194224210 /nfs/dbraw/zinc/22/42/10/194224210.db2.gz YFXXOYIJENQMHE-QMMMGPOBSA-N 0 0 284.316 0.774 20 5 CCBDRN COC[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CCCO1 ZINC000278994638 194243950 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/nfs/dbraw/zinc/24/88/17/144248817.db2.gz XPFRLEYAAUHCLK-APBUJDDRSA-N 0 0 286.357 0.634 20 5 CCBDRN CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCCCNC1=O ZINC000368893577 144248886 /nfs/dbraw/zinc/24/88/86/144248886.db2.gz SWCDLWALIGTWMO-QMMMGPOBSA-N 0 0 281.268 0.929 20 5 CCBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)C[C@@H]1CO ZINC000370317654 144297739 /nfs/dbraw/zinc/29/77/39/144297739.db2.gz QEQNVBNFOFFAQV-GHMZBOCLSA-N 0 0 280.280 0.471 20 5 CCBDRN C[C@H]1COCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000370335387 144298842 /nfs/dbraw/zinc/29/88/42/144298842.db2.gz RAXCNVWVZCSSGI-SECBINFHSA-N 0 0 280.284 0.912 20 5 CCBDRN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC(O)(C2CC2)C1 ZINC000372611584 144375237 /nfs/dbraw/zinc/37/52/37/144375237.db2.gz IGBYRQQFHRZCNQ-UHFFFAOYSA-N 0 0 278.268 0.050 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@]2(C1)CCCOC2 ZINC000375270292 144432343 /nfs/dbraw/zinc/43/23/43/144432343.db2.gz UTBPWHCNOFTYAJ-CYBMUJFWSA-N 0 0 294.311 0.820 20 5 CCBDRN O=C1NCCN1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000546899351 285926981 /nfs/dbraw/zinc/92/69/81/285926981.db2.gz MNLZGSNMNMDAFL-SECBINFHSA-N 0 0 292.299 0.379 20 5 CCBDRN COC(=O)C(C)(C)CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000547763774 285973693 /nfs/dbraw/zinc/97/36/93/285973693.db2.gz HGTQNEJDEPRVOK-UHFFFAOYSA-N 0 0 296.283 0.331 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000547982556 285994515 /nfs/dbraw/zinc/99/45/15/285994515.db2.gz BQXRDRAINSEPDK-SECBINFHSA-N 0 0 289.295 0.875 20 5 CCBDRN CS[C@@H](CO)[C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548089381 286004311 /nfs/dbraw/zinc/00/43/11/286004311.db2.gz GXUVXYCMACWNTM-FSPLSTOPSA-N 0 0 274.302 0.160 20 5 CCBDRN CN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C(C)(C)C1=O ZINC000548748044 286065049 /nfs/dbraw/zinc/06/50/49/286065049.db2.gz FREWUKAHDIPDNH-UHFFFAOYSA-N 0 0 281.272 0.011 20 5 CCBDRN CCc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])n(C)n1 ZINC000548955199 286081911 /nfs/dbraw/zinc/08/19/11/286081911.db2.gz ZFUVJMPXNXETQL-UHFFFAOYSA-N 0 0 264.245 0.866 20 5 CCBDRN COc1ccc(CC(=O)NC[C@@](C)(O)CO)cc1[N+](=O)[O-] ZINC000549430725 286093649 /nfs/dbraw/zinc/09/36/49/286093649.db2.gz OTSUNNURJKUZMW-CYBMUJFWSA-N 0 0 298.295 0.005 20 5 CCBDRN Cc1cc(C(=O)N2CC(=O)N(C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000549768667 286099092 /nfs/dbraw/zinc/09/90/92/286099092.db2.gz KBNFZTHWXKRRNR-UHFFFAOYSA-N 0 0 291.263 0.344 20 5 CCBDRN C[C@@H]1CC[S@](=O)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000432439748 296759282 /nfs/dbraw/zinc/75/92/82/296759282.db2.gz CYMULXZGBGCVHX-YBYGRFCBSA-N 0 0 299.352 0.916 20 5 CCBDRN CC[C@@](NC(=O)c1cc([N+](=O)[O-])cn1C)(C(N)=O)C(C)C ZINC000541938630 411830673 /nfs/dbraw/zinc/83/06/73/411830673.db2.gz FRFIHRVNCMIYJY-ZDUSSCGKSA-N 0 0 296.327 0.953 20 5 CCBDRN Cc1ccnc(N2C[C@@H](C)[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000284579541 196089022 /nfs/dbraw/zinc/08/90/22/196089022.db2.gz JHEJWKDBPDFNKU-RKDXNWHRSA-N 0 0 264.285 0.856 20 5 CCBDRN Cc1noc(C(C)(C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000284836898 196140793 /nfs/dbraw/zinc/14/07/93/196140793.db2.gz JQCVBEKHVCUQBI-UHFFFAOYSA-N 0 0 294.271 0.534 20 5 CCBDRN CCn1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000027923573 171538531 /nfs/dbraw/zinc/53/85/31/171538531.db2.gz RIONGDUKBGVSSR-UHFFFAOYSA-N 0 0 264.245 0.646 20 5 CCBDRN O=C(NCCCOCC1CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284875317 196148353 /nfs/dbraw/zinc/14/83/53/196148353.db2.gz FLJVGKZHSPHJFP-UHFFFAOYSA-N 0 0 268.273 0.864 20 5 CCBDRN COC(=O)CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000035162256 172022803 /nfs/dbraw/zinc/02/28/03/172022803.db2.gz KLBAAMYEBMLDBG-UHFFFAOYSA-N 0 0 282.252 0.605 20 5 CCBDRN COC(=O)CN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000035162872 172023369 /nfs/dbraw/zinc/02/33/69/172023369.db2.gz BVTNOGZKVGVJIA-UHFFFAOYSA-N 0 0 252.226 0.840 20 5 CCBDRN Cn1c(C(=O)N2CCC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000035187345 172042034 /nfs/dbraw/zinc/04/20/34/172042034.db2.gz GAHJHIVLNOVYFP-MRVPVSSYSA-N 0 0 253.258 0.530 20 5 CCBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H](O)C1 ZINC000035205988 172050302 /nfs/dbraw/zinc/05/03/02/172050302.db2.gz PKFVJKZNCGPLKF-NSHDSACASA-N 0 0 280.280 0.957 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CO ZINC000035208658 172055406 /nfs/dbraw/zinc/05/54/06/172055406.db2.gz UGPCNSTZDNGBHX-VIFPVBQESA-N 0 0 267.285 0.920 20 5 CCBDRN COC(=O)C(C)(C)C(=O)Cn1nccc1[N+](=O)[O-] ZINC000285109675 196198457 /nfs/dbraw/zinc/19/84/57/196198457.db2.gz JRNQLKRQUQWVKI-UHFFFAOYSA-N 0 0 255.230 0.560 20 5 CCBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCc2n[nH]cc2C1 ZINC000285449348 196287369 /nfs/dbraw/zinc/28/73/69/196287369.db2.gz MOKKVFGCEVWWIJ-UHFFFAOYSA-N 0 0 262.229 0.240 20 5 CCBDRN COC(=O)c1cc(C)nc(NCCCO)c1[N+](=O)[O-] ZINC000285493505 196304040 /nfs/dbraw/zinc/30/40/40/196304040.db2.gz DWUSRQOMKFAOCP-UHFFFAOYSA-N 0 0 269.257 0.879 20 5 CCBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cnn(C)c1 ZINC000285537374 196319515 /nfs/dbraw/zinc/31/95/15/196319515.db2.gz FSFNCTSBLFBHGI-ZCFIWIBFSA-N 0 0 264.245 0.542 20 5 CCBDRN CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285588908 196335365 /nfs/dbraw/zinc/33/53/65/196335365.db2.gz HQPDHBBAMHASBX-ZETCQYMHSA-N 0 0 284.272 0.730 20 5 CCBDRN O=C(N[C@H]1CCCC[C@H]1O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285683731 196366256 /nfs/dbraw/zinc/36/62/56/196366256.db2.gz GHLUDSIGACEGJW-POYBYMJQSA-N 0 0 254.246 0.351 20 5 CCBDRN C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000285690920 196367560 /nfs/dbraw/zinc/36/75/60/196367560.db2.gz KLQUBPTVWQJHPK-UHFFFAOYSA-N 0 0 253.258 0.640 20 5 CCBDRN O=C(NCCC1(O)CCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285696201 196369554 /nfs/dbraw/zinc/36/95/54/196369554.db2.gz PLVMPMAJYUCODI-UHFFFAOYSA-N 0 0 254.246 0.353 20 5 CCBDRN CC[C@H](CCO)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285714088 196374633 /nfs/dbraw/zinc/37/46/33/196374633.db2.gz PQJLLYMALIRTLU-SSDOTTSWSA-N 0 0 256.262 0.456 20 5 CCBDRN CCc1nnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)[nH]1 ZINC000285727687 196379686 /nfs/dbraw/zinc/37/96/86/196379686.db2.gz GFNUQFVPLAXXGG-YFKPBYRVSA-N 0 0 279.260 0.489 20 5 CCBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](C2OCCO2)C1 ZINC000285732217 196381563 /nfs/dbraw/zinc/38/15/63/196381563.db2.gz UNIDNDXQHOXRPA-QMMMGPOBSA-N 0 0 296.283 0.543 20 5 CCBDRN Cc1nn(C)c(NCCCS(C)(=O)=O)c1[N+](=O)[O-] ZINC000038048394 174059222 /nfs/dbraw/zinc/05/92/22/174059222.db2.gz WIAQFYRYSRXGGT-UHFFFAOYSA-N 0 0 276.318 0.483 20 5 CCBDRN COCCCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000042251572 174666378 /nfs/dbraw/zinc/66/63/78/174666378.db2.gz VJVCICFPAPXULS-UHFFFAOYSA-N 0 0 296.279 0.939 20 5 CCBDRN CCNC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1F ZINC000071918642 176299661 /nfs/dbraw/zinc/29/96/61/176299661.db2.gz OPBXEISUJILGKJ-UHFFFAOYSA-N 0 0 285.231 0.958 20 5 CCBDRN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286552470 196638748 /nfs/dbraw/zinc/63/87/48/196638748.db2.gz SOMIPIHDEDDPCT-ONGNITBBSA-N 0 0 286.313 0.299 20 5 CCBDRN Cc1noc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000077397846 177263288 /nfs/dbraw/zinc/26/32/88/177263288.db2.gz LQKUMBNVSRFRBL-UHFFFAOYSA-N 0 0 252.190 0.121 20 5 CCBDRN CCCCOC(=O)CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000078550468 177353009 /nfs/dbraw/zinc/35/30/09/177353009.db2.gz BZMQSIRJZSMGMR-UHFFFAOYSA-N 0 0 298.299 0.559 20 5 CCBDRN CCCc1n[nH]c(C(=O)N(C)CC(=O)OCC)c1[N+](=O)[O-] ZINC000078593390 177357098 /nfs/dbraw/zinc/35/70/98/177357098.db2.gz WXAGWWLEVBLONB-UHFFFAOYSA-N 0 0 298.299 0.906 20 5 CCBDRN C[C@@H](CS(C)(=O)=O)Nc1ccc([N+](=O)[O-])cn1 ZINC000078637916 177363120 /nfs/dbraw/zinc/36/31/20/177363120.db2.gz RUTNPARIMQGHDJ-ZETCQYMHSA-N 0 0 259.287 0.835 20 5 CCBDRN CCOC(=O)CN(C)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000078772666 177384890 /nfs/dbraw/zinc/38/48/90/177384890.db2.gz LTHJFTCEJLZSCR-UHFFFAOYSA-N 0 0 284.272 0.121 20 5 CCBDRN COCCC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000575171167 335074985 /nfs/dbraw/zinc/07/49/85/335074985.db2.gz GDOPPBDECFQVNQ-UHFFFAOYSA-N 0 0 268.273 0.817 20 5 CCBDRN CN1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000521040732 269774291 /nfs/dbraw/zinc/77/42/91/269774291.db2.gz WTRZRCFDJNYRJM-SNVBAGLBSA-N 0 0 294.311 0.015 20 5 CCBDRN CN(CCn1cccn1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000521132411 269775350 /nfs/dbraw/zinc/77/53/50/269775350.db2.gz XGERTDJIXAYGIR-UHFFFAOYSA-N 0 0 277.284 0.902 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCCO1 ZINC000521419779 269776807 /nfs/dbraw/zinc/77/68/07/269776807.db2.gz FSSRHUBSIBYHKM-SECBINFHSA-N 0 0 269.257 0.079 20 5 CCBDRN CNC(=O)C[C@@H](C)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000323003007 260120642 /nfs/dbraw/zinc/12/06/42/260120642.db2.gz LHGUDFFTEBAAGT-MRVPVSSYSA-N 0 0 294.311 0.891 20 5 CCBDRN COC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000525892670 265998454 /nfs/dbraw/zinc/99/84/54/265998454.db2.gz AJAMZJATGSWHHQ-ONGXEEELSA-N 0 0 295.295 0.866 20 5 CCBDRN Nc1nc(N2CCN(C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000299362312 274966081 /nfs/dbraw/zinc/96/60/81/274966081.db2.gz VZVZZDPLLOCEIZ-UHFFFAOYSA-N 0 0 264.289 0.251 20 5 CCBDRN CCc1nn(C)c(N2CC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000220037040 276705722 /nfs/dbraw/zinc/70/57/22/276705722.db2.gz PRHJBRCGMCHJHX-LLVKDONJSA-N 0 0 254.290 0.852 20 5 CCBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(CCOC)CC1 ZINC000360880218 276709335 /nfs/dbraw/zinc/70/93/35/276709335.db2.gz RYCTZDWVPKCQJZ-UHFFFAOYSA-N 0 0 297.359 0.888 20 5 CCBDRN CC(=O)c1ccc(N2CCOC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000296377927 277111398 /nfs/dbraw/zinc/11/13/98/277111398.db2.gz TXDKVBLESAKJJL-LLVKDONJSA-N 0 0 280.280 0.995 20 5 CCBDRN COC(=O)c1cnc(N2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000302772377 277168401 /nfs/dbraw/zinc/16/84/01/277168401.db2.gz NKLXVCOVKLDWGE-LDYMZIIASA-N 0 0 295.295 0.984 20 5 CCBDRN C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1O ZINC000301948243 277759618 /nfs/dbraw/zinc/75/96/18/277759618.db2.gz BFPFMXHOJZHCFF-HTRCEHHLSA-N 0 0 253.262 0.174 20 5 CCBDRN 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/nfs/dbraw/zinc/38/25/55/283382555.db2.gz VAUYYMALHAYNPH-QMMMGPOBSA-N 0 0 269.305 0.142 20 5 CCBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)NC ZINC000569800062 358793347 /nfs/dbraw/zinc/79/33/47/358793347.db2.gz HYWPYXWWHWBOBG-QMMMGPOBSA-N 0 0 268.273 0.188 20 5 CCBDRN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H](CO)[C@H](O)C1 ZINC000570466183 358861710 /nfs/dbraw/zinc/86/17/10/358861710.db2.gz MXHZQSZMDOIKIZ-BXKDBHETSA-N 0 0 280.280 0.410 20 5 CCBDRN COCCS(=O)(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000584692901 359192052 /nfs/dbraw/zinc/19/20/52/359192052.db2.gz GKYPMMJZIFUXEB-UHFFFAOYSA-N 0 0 286.309 0.934 20 5 CCBDRN O=C(NCC[C@H]1CCCO1)NCCn1cc([N+](=O)[O-])cn1 ZINC000610864118 363623084 /nfs/dbraw/zinc/62/30/84/363623084.db2.gz AEJUTKFPNAZJHA-LLVKDONJSA-N 0 0 297.315 0.660 20 5 CCBDRN COC(=O)c1cnc(N[C@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000589101847 359358866 /nfs/dbraw/zinc/35/88/66/359358866.db2.gz NVKVEECRUJFRKV-VIFPVBQESA-N 0 0 298.299 0.111 20 5 CCBDRN C[NH+](C)C[C@H](CO)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000589101437 359358993 /nfs/dbraw/zinc/35/89/93/359358993.db2.gz DLCLJEKFMQGCRQ-SSDOTTSWSA-N 0 0 274.708 0.978 20 5 CCBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC(C(F)(F)F)C1 ZINC000588810072 359338960 /nfs/dbraw/zinc/33/89/60/359338960.db2.gz BEZQDKJKTXDIPC-UHFFFAOYSA-N 0 0 278.190 0.812 20 5 CCBDRN Cc1nn(CCC(=O)N2CCCCN2)c(C)c1[N+](=O)[O-] ZINC000588847509 359341198 /nfs/dbraw/zinc/34/11/98/359341198.db2.gz YCOPYGZTNCGQSN-UHFFFAOYSA-N 0 0 281.316 0.925 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[C@@H](CO)O1 ZINC000590071317 359421418 /nfs/dbraw/zinc/42/14/18/359421418.db2.gz CMYYVMPVKVUBFX-ZJUUUORDSA-N 0 0 283.284 0.203 20 5 CCBDRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](S(N)(=O)=O)C1 ZINC000611117592 363662204 /nfs/dbraw/zinc/66/22/04/363662204.db2.gz IZHYNKUPELPYJX-SECBINFHSA-N 0 0 286.313 0.165 20 5 CCBDRN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC(=O)N1 ZINC000590721658 359511531 /nfs/dbraw/zinc/51/15/31/359511531.db2.gz PZPZJTKKIMHUMQ-MRVPVSSYSA-N 0 0 287.279 0.863 20 5 CCBDRN Nc1n[nH]c(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000590551190 359483509 /nfs/dbraw/zinc/48/35/09/359483509.db2.gz LPUCYUNNLZYIPK-UHFFFAOYSA-N 0 0 276.256 0.098 20 5 CCBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000591169417 359564998 /nfs/dbraw/zinc/56/49/98/359564998.db2.gz WHRNMAXAKRBZSE-DTWKUNHWSA-N 0 0 279.300 0.894 20 5 CCBDRN CCCc1[nH]nc(C(=O)OC[C@@H]2CNC(=O)O2)c1[N+](=O)[O-] ZINC000496725399 240352504 /nfs/dbraw/zinc/35/25/04/240352504.db2.gz FFFJDWPDOCBISO-LURJTMIESA-N 0 0 298.255 0.536 20 5 CCBDRN CNC(=O)[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000273266134 283455061 /nfs/dbraw/zinc/45/50/61/283455061.db2.gz WKYJQRPJOUZOMR-LLVKDONJSA-N 0 0 283.259 0.685 20 5 CCBDRN COCCC1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000591783687 359658750 /nfs/dbraw/zinc/65/87/50/359658750.db2.gz CCWVGOIDRFANNJ-UHFFFAOYSA-N 0 0 282.300 0.676 20 5 CCBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H](O)C(F)(F)F ZINC000591782357 359658860 /nfs/dbraw/zinc/65/88/60/359658860.db2.gz KAKXAGXAMFRQMY-XNCJUZBTSA-N 0 0 295.217 0.975 20 5 CCBDRN CC[C@H](C)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000297089059 200082092 /nfs/dbraw/zinc/08/20/92/200082092.db2.gz WKSLRQOPNQDROJ-VIFPVBQESA-N 0 0 281.316 0.874 20 5 CCBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1COC[C@H]1O ZINC000297346016 200156335 /nfs/dbraw/zinc/15/63/35/200156335.db2.gz KHPHFCMPMFNIEZ-VXGBXAGGSA-N 0 0 295.295 0.196 20 5 CCBDRN C[C@@H]1C(=O)N(C)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000591997110 359721926 /nfs/dbraw/zinc/72/19/26/359721926.db2.gz KUZWEYDUENNIFS-SSDOTTSWSA-N 0 0 280.284 0.294 20 5 CCBDRN COC(=O)[C@@H]1C[C@@H](O)CN(c2ncccc2[N+](=O)[O-])C1 ZINC000591999371 359724445 /nfs/dbraw/zinc/72/44/45/359724445.db2.gz HSZKBSBEELDVQP-RKDXNWHRSA-N 0 0 281.268 0.350 20 5 CCBDRN COC(=O)[C@@H]1C[C@H](O)CN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000592003091 359725988 /nfs/dbraw/zinc/72/59/88/359725988.db2.gz PJEDMRDGRSMWMY-APPZFPTMSA-N 0 0 299.258 0.489 20 5 CCBDRN O=c1oc2cccc([N+](=O)[O-])c2n1CC1(CO)COC1 ZINC000592349104 359822720 /nfs/dbraw/zinc/82/27/20/359822720.db2.gz POJOZVMUNYKNCD-UHFFFAOYSA-N 0 0 280.236 0.512 20 5 CCBDRN O=c1ccc([N+](=O)[O-])cn1CCN1CCc2c[nH]nc2C1 ZINC000611185548 363674703 /nfs/dbraw/zinc/67/47/03/363674703.db2.gz IXXYZXCFGBPTHV-UHFFFAOYSA-N 0 0 289.295 0.538 20 5 CCBDRN CCN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1C ZINC000611216145 363684938 /nfs/dbraw/zinc/68/49/38/363684938.db2.gz DLJGHUPDDBUHDY-QMMMGPOBSA-N 0 0 267.289 0.484 20 5 CCBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc[nH]c1=O ZINC000611234713 363690485 /nfs/dbraw/zinc/69/04/85/363690485.db2.gz VAJBKAJHKTVTEC-UHFFFAOYSA-N 0 0 263.213 0.681 20 5 CCBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)O ZINC000297788567 200281747 /nfs/dbraw/zinc/28/17/47/200281747.db2.gz HEIQWKCANKGBRM-SECBINFHSA-N 0 0 295.295 0.647 20 5 CCBDRN Cn1cnc(CCCNC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000592674343 359911619 /nfs/dbraw/zinc/91/16/19/359911619.db2.gz DJKQWFYYCVMPOW-UHFFFAOYSA-N 0 0 290.283 0.481 20 5 CCBDRN Cc1n[nH]c(C(=O)NC2(CO)CCC2)c1[N+](=O)[O-] ZINC000611246075 363696982 /nfs/dbraw/zinc/69/69/82/363696982.db2.gz PIRXSFDBESVAKB-UHFFFAOYSA-N 0 0 254.246 0.271 20 5 CCBDRN C[C@@H]1C(=O)N(C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592729835 359919781 /nfs/dbraw/zinc/91/97/81/359919781.db2.gz RZYNKBAXGPDVQI-SECBINFHSA-N 0 0 277.280 0.784 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592737414 359920581 /nfs/dbraw/zinc/92/05/81/359920581.db2.gz VJUIRXFERKPEST-XHNCKOQMSA-N 0 0 265.273 0.491 20 5 CCBDRN C[C@@H]1C(=O)N(C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000592899997 359972501 /nfs/dbraw/zinc/97/25/01/359972501.db2.gz FBSIUPVZGGTENY-ZCFIWIBFSA-N 0 0 296.258 0.576 20 5 CCBDRN C[C@H]1C(=O)N(C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000592899993 359972739 /nfs/dbraw/zinc/97/27/39/359972739.db2.gz FBSIUPVZGGTENY-LURJTMIESA-N 0 0 296.258 0.576 20 5 CCBDRN CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@H]2O1 ZINC000593116788 360043677 /nfs/dbraw/zinc/04/36/77/360043677.db2.gz NYBGROCDJWCUIW-VXGBXAGGSA-N 0 0 296.327 0.670 20 5 CCBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCc1nnc[nH]1 ZINC000593488268 360097602 /nfs/dbraw/zinc/09/76/02/360097602.db2.gz GLYOXTUJNNSWET-UHFFFAOYSA-N 0 0 293.258 0.753 20 5 CCBDRN CS[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000593226128 360053591 /nfs/dbraw/zinc/05/35/91/360053591.db2.gz ASDMOYKVECKHEU-RKDXNWHRSA-N 0 0 299.356 0.977 20 5 CCBDRN Cc1nn(CCOc2ccccc2[N+](=O)[O-])c(=O)n1C ZINC000593237140 360054887 /nfs/dbraw/zinc/05/48/87/360054887.db2.gz JTPHJIBBBGPNLE-UHFFFAOYSA-N 0 0 278.268 0.877 20 5 CCBDRN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593510297 360103164 /nfs/dbraw/zinc/10/31/64/360103164.db2.gz MENDBHLWIUUMAC-OCCIGCLGSA-N 0 0 284.341 0.829 20 5 CCBDRN O=[N+]([O-])c1cnc2ccc(N[C@H](CO)CCF)nn21 ZINC000593510356 360103235 /nfs/dbraw/zinc/10/32/35/360103235.db2.gz VBBFWPIAZIYXQO-ZETCQYMHSA-N 0 0 269.236 0.192 20 5 CCBDRN COC(=O)CN(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593401121 360080006 /nfs/dbraw/zinc/08/00/06/360080006.db2.gz ZWRLRKOWPOTMIZ-UHFFFAOYSA-N 0 0 284.243 0.908 20 5 CCBDRN CC(C)c1cc(=NC(=O)Cn2cnc([N+](=O)[O-])n2)[nH][nH]1 ZINC000593744614 360146729 /nfs/dbraw/zinc/14/67/29/360146729.db2.gz POJRRNWHBMYNJC-UHFFFAOYSA-N 0 0 279.260 0.093 20 5 CCBDRN C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C(=O)[O-])C1 ZINC000593748744 360147914 /nfs/dbraw/zinc/14/79/14/360147914.db2.gz RLEVHPRLJCGIFO-MWLCHTKSSA-N 0 0 282.300 0.976 20 5 CCBDRN C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593582511 360116074 /nfs/dbraw/zinc/11/60/74/360116074.db2.gz OBLGDKAAXHEYRP-VXNVDRBHSA-N 0 0 287.297 0.134 20 5 CCBDRN C[C@@H](CCO)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593663613 360131280 /nfs/dbraw/zinc/13/12/80/360131280.db2.gz AWTMDIBUJPWCEW-VIFPVBQESA-N 0 0 288.325 0.986 20 5 CCBDRN COC(=O)[C@H](CCF)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593796644 360156433 /nfs/dbraw/zinc/15/64/33/360156433.db2.gz WNXUJWHMCDDONH-VIFPVBQESA-N 0 0 285.231 0.621 20 5 CCBDRN COC(=O)[C@H](CCF)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000593799634 360158799 /nfs/dbraw/zinc/15/87/99/360158799.db2.gz GCHUWWYJKUZTSU-ZETCQYMHSA-N 0 0 273.220 0.554 20 5 CCBDRN NC(=O)[C@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000593812269 360163394 /nfs/dbraw/zinc/16/33/94/360163394.db2.gz ACRUWFICPNWFNT-PHIMTYICSA-N 0 0 291.307 0.908 20 5 CCBDRN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nc[nH]n1 ZINC000176746362 189007014 /nfs/dbraw/zinc/00/70/14/189007014.db2.gz JUOIQTHBAKTXFV-QMMMGPOBSA-N 0 0 291.267 0.969 20 5 CCBDRN Cc1sc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593817032 360167858 /nfs/dbraw/zinc/16/78/58/360167858.db2.gz UNAITRFJEKUMRK-KNVOCYPGSA-N 0 0 283.309 0.958 20 5 CCBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593856437 360177441 /nfs/dbraw/zinc/17/74/41/360177441.db2.gz WTKIXCKLAYXRBI-CYBMUJFWSA-N 0 0 291.307 0.486 20 5 CCBDRN C[C@H](COCC1CC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000593858452 360178169 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ZINC000003460960 347983180 /nfs/dbraw/zinc/98/31/80/347983180.db2.gz IICOOZHMMWIRQZ-UHFFFAOYSA-N 0 0 291.263 0.715 20 5 CCBDRN Cc1cc(C(=O)N[C@H](C)C(N)=O)ccc1[N+](=O)[O-] ZINC000017816721 348055158 /nfs/dbraw/zinc/05/51/58/348055158.db2.gz IGCYDAGRNGXTRN-SSDOTTSWSA-N 0 0 251.242 0.507 20 5 CCBDRN CC(=O)CNC(=O)[C@H](C)n1cc([N+](=O)[O-])ccc1=O ZINC000344725346 137209731 /nfs/dbraw/zinc/20/97/31/137209731.db2.gz GRSZTPFFVQBXIV-QMMMGPOBSA-N 0 0 267.241 0.023 20 5 CCBDRN O=C(NCCCn1cccn1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000030168824 348117572 /nfs/dbraw/zinc/11/75/72/348117572.db2.gz DCJHDWLPZBRWEH-UHFFFAOYSA-N 0 0 291.267 0.300 20 5 CCBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C)CC1 ZINC000030287624 348117708 /nfs/dbraw/zinc/11/77/08/348117708.db2.gz AXNAMJZWKPLVDF-UHFFFAOYSA-N 0 0 299.352 0.839 20 5 CCBDRN CC(=O)NCCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000031240995 348123967 /nfs/dbraw/zinc/12/39/67/348123967.db2.gz MNYCNUBFNYJYEV-UHFFFAOYSA-N 0 0 295.295 0.616 20 5 CCBDRN NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2CCCCO2)c1=O ZINC000027053509 348096799 /nfs/dbraw/zinc/09/67/99/348096799.db2.gz YXNGVFSMRSGXGB-VIFPVBQESA-N 0 0 281.268 0.425 20 5 CCBDRN O=C(NCC1(CO)CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000344938382 137222814 /nfs/dbraw/zinc/22/28/14/137222814.db2.gz CPKDTMKSFVHQEV-UHFFFAOYSA-N 0 0 253.258 0.815 20 5 CCBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(CO)CC1 ZINC000344970156 137224599 /nfs/dbraw/zinc/22/45/99/137224599.db2.gz BHFKYFJSWXJFAC-UHFFFAOYSA-N 0 0 254.246 0.162 20 5 CCBDRN CCN(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000037859070 348213983 /nfs/dbraw/zinc/21/39/83/348213983.db2.gz YYOMGXXJNWOYSC-UHFFFAOYSA-N 0 0 274.298 0.598 20 5 CCBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCO ZINC000037898649 348217099 /nfs/dbraw/zinc/21/70/99/348217099.db2.gz OINVVAQOFPSVKO-UHFFFAOYSA-N 0 0 290.297 0.216 20 5 CCBDRN Cc1n[nH]cc1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000038011783 348222823 /nfs/dbraw/zinc/22/28/23/348222823.db2.gz YPSOEZYHCIAIQO-UHFFFAOYSA-N 0 0 277.240 0.245 20 5 CCBDRN COc1ccc(CNCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000037750664 348201360 /nfs/dbraw/zinc/20/13/60/348201360.db2.gz QAYMBOSHZQFXQL-UHFFFAOYSA-N 0 0 288.325 0.738 20 5 CCBDRN COC(=O)[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000345044004 137230017 /nfs/dbraw/zinc/23/00/17/137230017.db2.gz LQNGGTKTAQRVPR-JGVFFNPUSA-N 0 0 268.273 0.716 20 5 CCBDRN C[C@H](O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000345176119 137238083 /nfs/dbraw/zinc/23/80/83/137238083.db2.gz RQLKUFQUJDKAIZ-VIFPVBQESA-N 0 0 280.284 0.019 20 5 CCBDRN CN(Cc1ccns1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000602883714 362863515 /nfs/dbraw/zinc/86/35/15/362863515.db2.gz QRDNZBGSSRXYFO-SNVBAGLBSA-N 0 0 297.340 0.741 20 5 CCBDRN CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000345149051 137236424 /nfs/dbraw/zinc/23/64/24/137236424.db2.gz LYWDUJSHGCRNEK-BDAKNGLRSA-N 0 0 264.285 0.738 20 5 CCBDRN CON(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000042160705 348267794 /nfs/dbraw/zinc/26/77/94/348267794.db2.gz SWHANBIXXPJRSV-UHFFFAOYSA-N 0 0 293.235 0.211 20 5 CCBDRN CO[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000602897811 362872900 /nfs/dbraw/zinc/87/29/00/362872900.db2.gz KJFAOXUAAXQQTJ-LLVKDONJSA-N 0 0 270.289 0.404 20 5 CCBDRN C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F ZINC000346011035 137264329 /nfs/dbraw/zinc/26/43/29/137264329.db2.gz INAUOTBIHNLLSF-SCSAIBSYSA-N 0 0 267.167 0.253 20 5 CCBDRN CC(C)[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000345641583 137244294 /nfs/dbraw/zinc/24/42/94/137244294.db2.gz OCNJUFFQDKKHLC-SECBINFHSA-N 0 0 267.285 0.917 20 5 CCBDRN C[C@@H]1OCC[C@@]1(C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000345668412 137244965 /nfs/dbraw/zinc/24/49/65/137244965.db2.gz MRDCJPCGPGHKML-JOYOIKCWSA-N 0 0 297.315 0.658 20 5 CCBDRN COC[C@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273346228 192121813 /nfs/dbraw/zinc/12/18/13/192121813.db2.gz BSMVXMWBGLPVQW-MRVPVSSYSA-N 0 0 287.247 0.863 20 5 CCBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)[C@H]2CCOC2)cn1 ZINC000346425888 137285499 /nfs/dbraw/zinc/28/54/99/137285499.db2.gz RNURTKQTJBOYTE-WCBMZHEXSA-N 0 0 253.258 0.799 20 5 CCBDRN C[C@@H](c1nnnn1C)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000346598393 137294841 /nfs/dbraw/zinc/29/48/41/137294841.db2.gz FTQMWZHHDAXYDH-QMMMGPOBSA-N 0 0 289.299 0.633 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)CS(C)(=O)=O ZINC000346612468 137295292 /nfs/dbraw/zinc/29/52/92/137295292.db2.gz WZLGQHFLMQAOBX-SSDOTTSWSA-N 0 0 261.303 0.780 20 5 CCBDRN C[C@@H]1C[C@@H](O)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346721136 137302777 /nfs/dbraw/zinc/30/27/77/137302777.db2.gz AZMMKEUYGBWQPA-SFYZADRCSA-N 0 0 253.258 0.908 20 5 CCBDRN C[C@@H]1C[C@@H](O)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000346739686 137303072 /nfs/dbraw/zinc/30/30/72/137303072.db2.gz XVGGHCZKPZKYMK-RQJHMYQMSA-N 0 0 254.246 0.303 20 5 CCBDRN CN(Cc1cn(C)nc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000602918830 362886052 /nfs/dbraw/zinc/88/60/52/362886052.db2.gz SOTMMSSPVXHVEE-WAAGHKOSSA-N 0 0 254.290 0.531 20 5 CCBDRN Cc1n[nH]c(C(=O)NC[C@@H](O)C2CC2)c1[N+](=O)[O-] ZINC000346818303 137306072 /nfs/dbraw/zinc/30/60/72/137306072.db2.gz BUISDTQRFQTZQK-SSDOTTSWSA-N 0 0 254.246 0.127 20 5 CCBDRN C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000045767936 348342635 /nfs/dbraw/zinc/34/26/35/348342635.db2.gz IKDQUPATWLVZQB-QMMMGPOBSA-N 0 0 298.320 0.917 20 5 CCBDRN CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347146264 137322296 /nfs/dbraw/zinc/32/22/96/137322296.db2.gz ZVSFHPVDDMWMAP-YUMQZZPRSA-N 0 0 297.315 0.361 20 5 CCBDRN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCO[C@@H](C)C1 ZINC000602961872 362910725 /nfs/dbraw/zinc/91/07/25/362910725.db2.gz YHCSXVJEEGZWFJ-VIFPVBQESA-N 0 0 280.284 0.973 20 5 CCBDRN COC(=O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000046217421 348353286 /nfs/dbraw/zinc/35/32/86/348353286.db2.gz JXXZLAFRRXZTLP-UHFFFAOYSA-N 0 0 281.268 0.980 20 5 CCBDRN CN(Cc1ncc[nH]1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000347498111 137339852 /nfs/dbraw/zinc/33/98/52/137339852.db2.gz NXHYQLZNHUZAMN-UHFFFAOYSA-N 0 0 278.272 0.563 20 5 CCBDRN CC(C)CCOCCNC(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000048628508 348420656 /nfs/dbraw/zinc/42/06/56/348420656.db2.gz RPEYCOKSQFIKSC-UHFFFAOYSA-N 0 0 284.316 0.970 20 5 CCBDRN O=C(NCCn1ncnn1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347295682 137329234 /nfs/dbraw/zinc/32/92/34/137329234.db2.gz YUMFGKVMPRTNTD-UHFFFAOYSA-N 0 0 295.234 0.542 20 5 CCBDRN O=C(NCCOCCO)c1ccccc1[N+](=O)[O-] ZINC000048150417 348401477 /nfs/dbraw/zinc/40/14/77/348401477.db2.gz UXJDTIGRYFMYDO-UHFFFAOYSA-N 0 0 254.242 0.334 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2sccc2C1 ZINC000048224133 348403325 /nfs/dbraw/zinc/40/33/25/348403325.db2.gz AAYFOJWPBFOGBN-UHFFFAOYSA-N 0 0 293.308 0.833 20 5 CCBDRN CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000349472974 137394060 /nfs/dbraw/zinc/39/40/60/137394060.db2.gz IFHHRKODUYOOQH-UHFFFAOYSA-N 0 0 261.241 0.985 20 5 CCBDRN NC(=O)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000048966326 348433436 /nfs/dbraw/zinc/43/34/36/348433436.db2.gz YIZDDSBQXDHBPT-UHFFFAOYSA-N 0 0 284.247 0.311 20 5 CCBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[C@@H](CO)O1 ZINC000349645008 137398406 /nfs/dbraw/zinc/39/84/06/137398406.db2.gz MFWGUDOHICKGND-IUCAKERBSA-N 0 0 295.295 0.447 20 5 CCBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[C@H](CO)O1 ZINC000349663375 137398831 /nfs/dbraw/zinc/39/88/31/137398831.db2.gz QHKQKKZIPCGDJW-CHWSQXEVSA-N 0 0 294.307 0.793 20 5 CCBDRN C[S@@](=O)CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000347705670 137351670 /nfs/dbraw/zinc/35/16/70/137351670.db2.gz ZEENNDHGDKWXPJ-LJQANCHMSA-N 0 0 288.329 0.066 20 5 CCBDRN COC(=O)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)OC ZINC000347810843 137358743 /nfs/dbraw/zinc/35/87/43/137358743.db2.gz ISOUYADOYMNZIV-LLVKDONJSA-N 0 0 296.279 0.821 20 5 CCBDRN CN(Cc1cnn(C)c1)C(=O)Cn1nccc1[N+](=O)[O-] ZINC000048705979 348422820 /nfs/dbraw/zinc/42/28/20/348422820.db2.gz BUIKINRFMASVJL-UHFFFAOYSA-N 0 0 278.272 0.183 20 5 CCBDRN CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000048721438 348423227 /nfs/dbraw/zinc/42/32/27/348423227.db2.gz SQZVJJNLQBMSNH-UHFFFAOYSA-N 0 0 289.194 0.881 20 5 CCBDRN CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccnn1C ZINC000348413726 137376159 /nfs/dbraw/zinc/37/61/59/137376159.db2.gz WXNJCTKKVUCOOC-UHFFFAOYSA-N 0 0 264.289 0.657 20 5 CCBDRN CNC(=O)[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000048811674 348426999 /nfs/dbraw/zinc/42/69/99/348426999.db2.gz INXXCOHCDDDABW-MRVPVSSYSA-N 0 0 265.269 0.388 20 5 CCBDRN Cc1c(CN2CCO[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000051104234 348484555 /nfs/dbraw/zinc/48/45/55/348484555.db2.gz DDYVJPCGEXSBCJ-GFCCVEGCSA-N 0 0 279.296 0.589 20 5 CCBDRN CNC(=O)NC(=O)CSc1ncccc1[N+](=O)[O-] ZINC000049418592 348452360 /nfs/dbraw/zinc/45/23/60/348452360.db2.gz RPMRXYSUKRPZJU-UHFFFAOYSA-N 0 0 270.270 0.538 20 5 CCBDRN CCN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1=O ZINC000273409276 192141533 /nfs/dbraw/zinc/14/15/33/192141533.db2.gz HOFXAFJBQXSIFJ-UHFFFAOYSA-N 0 0 293.283 0.686 20 5 CCBDRN Cc1nn(C)c(NCCC(=O)NC(C)C)c1[N+](=O)[O-] ZINC000051678021 348492388 /nfs/dbraw/zinc/49/23/88/348492388.db2.gz RGQDWBYVLPMTCY-UHFFFAOYSA-N 0 0 269.305 0.963 20 5 CCBDRN C[C@H](O)CN(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000051818555 348495422 /nfs/dbraw/zinc/49/54/22/348495422.db2.gz JGYRPQIITGOHPT-VIFPVBQESA-N 0 0 268.269 0.813 20 5 CCBDRN C[C@@H](O)CN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000051837567 348496826 /nfs/dbraw/zinc/49/68/26/348496826.db2.gz CBAVLJHZXDMDMX-SECBINFHSA-N 0 0 267.285 0.846 20 5 CCBDRN CCNC(=O)CN(CC)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000051868736 348497982 /nfs/dbraw/zinc/49/79/82/348497982.db2.gz XTKMLUXHOXGWSV-UHFFFAOYSA-N 0 0 268.273 0.521 20 5 CCBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H](CO)C1 ZINC000051885842 348498557 /nfs/dbraw/zinc/49/85/57/348498557.db2.gz FCVRFHITMMDVRF-VIFPVBQESA-N 0 0 286.309 0.598 20 5 CCBDRN O=C(CN1CC[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000051887593 348499284 /nfs/dbraw/zinc/49/92/84/348499284.db2.gz HJOFXJHAJVUFHY-SNVBAGLBSA-N 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637726567 /nfs/dbraw/zinc/72/65/67/637726567.db2.gz RXAOLEUGFJUMQH-SECBINFHSA-N 0 0 279.252 0.990 20 5 CCBDRN Cn1nnnc1SCc1cccnc1[N+](=O)[O-] ZINC000915637935 637778881 /nfs/dbraw/zinc/77/88/81/637778881.db2.gz NCPIWXXYYDIHFB-UHFFFAOYSA-N 0 0 252.259 0.806 20 5 CCBDRN O=C(COc1ccccc1[N+](=O)[O-])OCCCO ZINC000915859721 637802081 /nfs/dbraw/zinc/80/20/81/637802081.db2.gz LPZOESQGPNIDHJ-UHFFFAOYSA-N 0 0 255.226 0.899 20 5 CCBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CCO[C@@H]1CCOC1 ZINC000917739470 637986219 /nfs/dbraw/zinc/98/62/19/637986219.db2.gz AMLIJIDQYVGFHJ-SNVBAGLBSA-N 0 0 268.269 0.870 20 5 CCBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NCCNc1ncccn1 ZINC000918103854 638003649 /nfs/dbraw/zinc/00/36/49/638003649.db2.gz MQSMSSFEGGWLBK-UHFFFAOYSA-N 0 0 290.283 0.565 20 5 CCBDRN CS(=O)(=O)N1CC[C@@H](Cn2ccnc2[N+](=O)[O-])C1 ZINC000918377075 638013953 /nfs/dbraw/zinc/01/39/53/638013953.db2.gz BKQDYLVYFZPQEH-QMMMGPOBSA-N 0 0 274.302 0.073 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCC(F)(F)F ZINC000919520325 638084103 /nfs/dbraw/zinc/08/41/03/638084103.db2.gz MBSOPAHYJFBQHE-UHFFFAOYSA-N 0 0 254.124 0.292 20 5 CCBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)OC ZINC000070255517 638473036 /nfs/dbraw/zinc/47/30/36/638473036.db2.gz ODALGALCSSKBKJ-UHFFFAOYSA-N 0 0 276.270 0.785 20 5 CCBDRN COC[C@@H](C)OC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000071515174 638591931 /nfs/dbraw/zinc/59/19/31/638591931.db2.gz LKHZHCWCVZBRBV-MRVPVSSYSA-N 0 0 270.241 0.335 20 5 CCBDRN O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCCC1 ZINC001000637581 639145010 /nfs/dbraw/zinc/14/50/10/639145010.db2.gz JCVOJLMWCIBEIF-VXGBXAGGSA-N 0 0 295.339 0.416 20 5 CCBDRN C[C@@H]1CC[C@H](CO)N1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000921981209 639451636 /nfs/dbraw/zinc/45/16/36/639451636.db2.gz YRMMUPQSJAXUAY-RKDXNWHRSA-N 0 0 267.285 0.919 20 5 CCBDRN Cn1c(C(=O)OCCO[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000922293303 639636909 /nfs/dbraw/zinc/63/69/09/639636909.db2.gz FMUFZGOEPYOCPV-SECBINFHSA-N 0 0 284.268 0.896 20 5 CCBDRN CC[C@@H](C)[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)OC ZINC000922801921 639792907 /nfs/dbraw/zinc/79/29/07/639792907.db2.gz FERWERRLBASDHP-BGZDPUMWSA-N 0 0 259.258 0.783 20 5 CCBDRN Cn1c(C(=O)O[C@]2(C)CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000838994784 640285275 /nfs/dbraw/zinc/28/52/75/640285275.db2.gz MOTUGIKONKLEKG-NSHDSACASA-N 0 0 267.241 0.369 20 5 CCBDRN C[C@]1(OC(=O)c2ccc(N)c([N+](=O)[O-])c2)CNC(=O)C1 ZINC000838995090 640286469 /nfs/dbraw/zinc/28/64/69/640286469.db2.gz LWKAMQZBVNUSTQ-GFCCVEGCSA-N 0 0 279.252 0.612 20 5 CCBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)OCCOCCO ZINC000740211103 640309218 /nfs/dbraw/zinc/30/92/18/640309218.db2.gz MFESTQKOGGTIIB-UHFFFAOYSA-N 0 0 270.241 0.343 20 5 CCBDRN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839685797 640350163 /nfs/dbraw/zinc/35/01/63/640350163.db2.gz IPAWQGJVNIRYIP-ILPFRECESA-N 0 0 260.315 0.020 20 5 CCBDRN C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000839710270 640356072 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250.258 0.705 20 5 CCBDRN Cc1nc(CNc2ncc([N+](=O)[O-])cn2)sc1C(N)=O ZINC001163611676 802576868 /nfs/dbraw/zinc/57/68/68/802576868.db2.gz UWWBKWIWDAPJTE-UHFFFAOYSA-N 0 0 294.296 0.861 20 5 CCBDRN COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H](C)O1 ZINC001163728420 802599125 /nfs/dbraw/zinc/59/91/25/802599125.db2.gz KLEJKYBQDUCCBX-XCBNKYQSSA-N 0 0 296.283 0.460 20 5 CCBDRN COc1nc(N2CCN(C3COC3)CC2)ccc1[N+](=O)[O-] ZINC001163750943 802605644 /nfs/dbraw/zinc/60/56/44/802605644.db2.gz ZLZYLLFIJSPKEH-UHFFFAOYSA-N 0 0 294.311 0.519 20 5 CCBDRN CCNC(=O)CN(C)c1nc(OC)nc(C)c1[N+](=O)[O-] ZINC001163913638 802630515 /nfs/dbraw/zinc/63/05/15/802630515.db2.gz MJKYQHWECLIDDB-UHFFFAOYSA-N 0 0 283.288 0.274 20 5 CCBDRN COc1cnc(N2C[C@@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001163997391 802648574 /nfs/dbraw/zinc/64/85/74/802648574.db2.gz ZGZGYHUMRWHVSP-PHIMTYICSA-N 0 0 283.284 0.848 20 5 CCBDRN COc1cnc(N2C[C@@H](O)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001164112777 802668984 /nfs/dbraw/zinc/66/89/84/802668984.db2.gz IPTGENVGVLHQQT-IONNQARKSA-N 0 0 257.221 0.517 20 5 CCBDRN Nc1cc(N2CC[C@@H](O)[C@H](F)CC2)ncc1[N+](=O)[O-] ZINC001164237062 802693213 /nfs/dbraw/zinc/69/32/13/802693213.db2.gz DCLUWSFPJJYAFK-GMSGAONNSA-N 0 0 270.264 0.871 20 5 CCBDRN COc1ncnc(N2CC[C@H](O)[C@@H](F)CC2)c1[N+](=O)[O-] ZINC001164241968 802695432 /nfs/dbraw/zinc/69/54/32/802695432.db2.gz WBVAFKRUKCSYFE-YUMQZZPRSA-N 0 0 286.263 0.693 20 5 CCBDRN Cc1ncc([N+](=O)[O-])c(N2CCC(F)(F)[C@H](N)C2)n1 ZINC001164319724 802721800 /nfs/dbraw/zinc/72/18/00/802721800.db2.gz NMWUZLHMRXJMTK-MRVPVSSYSA-N 0 0 273.243 0.866 20 5 CCBDRN O=c1[nH][nH]cc1CCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC001164381668 802734900 /nfs/dbraw/zinc/73/49/00/802734900.db2.gz APCIFCKPMQLSAR-SSDOTTSWSA-N 0 0 297.702 0.989 20 5 CCBDRN O=[N+]([O-])c1cc(Cl)cc(N2C[C@H](CO)[C@H](O)C2)n1 ZINC001164539628 802759133 /nfs/dbraw/zinc/75/91/33/802759133.db2.gz PRWPXFVBNJHCKH-HTRCEHHLSA-N 0 0 273.676 0.433 20 5 CCBDRN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@](C)(O)C2)n1 ZINC001165232021 802801420 /nfs/dbraw/zinc/80/14/20/802801420.db2.gz OZDHZZABSAGAAG-GFCCVEGCSA-N 0 0 295.299 0.613 20 5 CCBDRN CN(C[C@H](O)CO)c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001165531063 802849983 /nfs/dbraw/zinc/84/99/83/802849983.db2.gz YNCNTKNLDKPHGX-BYPYZUCNSA-N 0 0 297.098 0.481 20 5 CCBDRN CN(C[C@@H](O)CO)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001165534669 802851745 /nfs/dbraw/zinc/85/17/45/802851745.db2.gz GUOIKMHQLQQYGS-SSDOTTSWSA-N 0 0 266.257 0.261 20 5 CCBDRN C[C@H](Cn1nccc1[N+](=O)[O-])CN1CCOCC1 ZINC001165538094 802853266 /nfs/dbraw/zinc/85/32/66/802853266.db2.gz XZISYTOMVREVDN-JTQLQIEISA-N 0 0 254.290 0.760 20 5 CCBDRN Nc1c(C(=O)NC/C=C\CO)cccc1[N+](=O)[O-] ZINC001165972526 802879305 /nfs/dbraw/zinc/87/93/05/802879305.db2.gz HZCHKRBRKQNCCR-UPHRSURJSA-N 0 0 251.242 0.455 20 5 CCBDRN COc1nc(N2CCNC(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC001166558286 802914252 /nfs/dbraw/zinc/91/42/52/802914252.db2.gz ZRSAJGWSFMQYBY-SSDOTTSWSA-N 0 0 266.257 0.323 20 5 CCBDRN CCN(CCC(N)=O)c1cc(N)c([N+](=O)[O-])cn1 ZINC001166589754 802921736 /nfs/dbraw/zinc/92/17/36/802921736.db2.gz ZKTBYWCYXQZCBI-UHFFFAOYSA-N 0 0 253.262 0.274 20 5 CCBDRN CC[C@@H](C)[C@H](NC(=O)Cn1ccnc1[N+](=O)[O-])C(=O)OC ZINC001166682394 802936923 /nfs/dbraw/zinc/93/69/23/802936923.db2.gz LPZSOZAWFJQZGY-SCZZXKLOSA-N 0 0 298.299 0.495 20 5 CCBDRN COc1cc(N[C@@H]2CCN(C)C2=O)cnc1[N+](=O)[O-] ZINC001166687104 802938937 /nfs/dbraw/zinc/93/89/37/802938937.db2.gz XUKVZDNOOIKNOI-MRVPVSSYSA-N 0 0 266.257 0.641 20 5 CCBDRN COc1ncnc(N2C[C@@H]3C[C@H]2CO3)c1[N+](=O)[O-] ZINC001166754686 802956431 /nfs/dbraw/zinc/95/64/31/802956431.db2.gz USNFOYNBDFOTEZ-BQBZGAKWSA-N 0 0 252.230 0.371 20 5 CCBDRN COc1cc(N2CCN3C(=O)CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001166955717 802993354 /nfs/dbraw/zinc/99/33/54/802993354.db2.gz UOQXZYCREUEGBA-SECBINFHSA-N 0 0 292.295 0.809 20 5 CCBDRN COc1cc(C)nc(N2CCN(C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC001167036951 803016807 /nfs/dbraw/zinc/01/68/07/803016807.db2.gz YZSSGCQZAUNEDY-VIFPVBQESA-N 0 0 294.311 0.974 20 5 CCBDRN Nc1cnn(CCO)c1Nc1ccc([N+](=O)[O-])nc1 ZINC001203566304 803034142 /nfs/dbraw/zinc/03/41/42/803034142.db2.gz FLTQNQRWOSCUDO-UHFFFAOYSA-N 0 0 264.245 0.504 20 5 CCBDRN CC(=O)N[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC001276567748 803511275 /nfs/dbraw/zinc/51/12/75/803511275.db2.gz MKYNEQNWLOBUHN-VIFPVBQESA-N 0 0 280.284 0.284 20 5 CCBDRN C[C@H]1CC(=O)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001213780992 803702696 /nfs/dbraw/zinc/70/26/96/803702696.db2.gz SGDKPBVEGQKYGK-QMMMGPOBSA-N 0 0 299.308 0.732 20 5 CCBDRN O=[N+]([O-])c1ccnc(NCCN2CCCS2(=O)=O)c1 ZINC000405325174 803875660 /nfs/dbraw/zinc/87/56/60/803875660.db2.gz UAJRCCLZLMZJJY-UHFFFAOYSA-N 0 0 286.313 0.437 20 5 CCBDRN CC(C)[C@](C)(Nc1ncc([N+](=O)[O-])cn1)C(N)=O ZINC000310893018 804213170 /nfs/dbraw/zinc/21/31/70/804213170.db2.gz YXLOAKIUYUKUHG-JTQLQIEISA-N 0 0 253.262 0.697 20 5 CCBDRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ncon1)C2 ZINC001222895844 804938989 /nfs/dbraw/zinc/93/89/89/804938989.db2.gz UMORKKAYPOHLRS-LURJTMIESA-N 0 0 267.201 0.152 20 5 CCBDRN C[C@@H]1CC[C@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1 ZINC001224796234 805077690 /nfs/dbraw/zinc/07/76/90/805077690.db2.gz HSIIKNNDRLQMKP-BDAKNGLRSA-N 0 0 287.272 0.284 20 5 CCBDRN COC(=O)Cc1ncc(O[C@@H](C[N+](=O)[O-])C2CC2)cn1 ZINC001225475361 805133526 /nfs/dbraw/zinc/13/35/26/805133526.db2.gz UTRZMBLHJCEKIP-JTQLQIEISA-N 0 0 281.268 0.626 20 5 CCBDRN COC(=O)CN1C[C@@H](Oc2cccnc2[N+](=O)[O-])CC1=O ZINC001225629140 805146476 /nfs/dbraw/zinc/14/64/76/805146476.db2.gz FOEQFCZUELENOQ-QMMMGPOBSA-N 0 0 295.251 0.143 20 5 CCBDRN C[C@H](CON)Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226169373 805201169 /nfs/dbraw/zinc/20/11/69/805201169.db2.gz BYRCPFQLRKXZPL-ZCFIWIBFSA-N 0 0 255.230 0.351 20 5 CCBDRN CN(CCN(C)c1ccc([N+](=O)[O-])cc1F)C(=O)C(N)=O ZINC001105543178 815060654 /nfs/dbraw/zinc/06/06/54/815060654.db2.gz MGWXDQBSMJVQHX-UHFFFAOYSA-N 0 0 298.274 0.114 20 5 CCBDRN O=[N+]([O-])c1cc(F)cnc1OC1CS(=O)(=O)C1 ZINC001226751530 805277129 /nfs/dbraw/zinc/27/71/29/805277129.db2.gz LLCPCNKNQCKPEY-UHFFFAOYSA-N 0 0 262.218 0.305 20 5 CCBDRN O=[N+]([O-])C[C@@H](Oc1nc[nH]n1)c1ccc2c(c1)OCO2 ZINC001227106791 805322923 /nfs/dbraw/zinc/32/29/23/805322923.db2.gz QZMWYEDHNFCZDN-SNVBAGLBSA-N 0 0 278.224 0.930 20 5 CCBDRN Cc1ccc(OC[C@@H]2OCCN(C)C2=O)c([N+](=O)[O-])n1 ZINC001227221838 805332967 /nfs/dbraw/zinc/33/29/67/805332967.db2.gz DPXAZQKEBRYGTC-JTQLQIEISA-N 0 0 281.268 0.534 20 5 CCBDRN Cc1occc(=O)c1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001227241591 805334584 /nfs/dbraw/zinc/33/45/84/805334584.db2.gz DEXPLSGNCJMMHQ-QMMMGPOBSA-N 0 0 293.235 0.893 20 5 CCBDRN NC(=O)c1nccnc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001228275335 805426917 /nfs/dbraw/zinc/42/69/17/805426917.db2.gz BKECBTBREDQHKI-SSDOTTSWSA-N 0 0 252.230 0.010 20 5 CCBDRN CC(=O)OCC(COC(C)=O)Oc1ncncc1[N+](=O)[O-] ZINC001228654736 805464227 /nfs/dbraw/zinc/46/42/27/805464227.db2.gz NJFCADCAMLNTBK-UHFFFAOYSA-N 0 0 299.239 0.258 20 5 CCBDRN Cc1[nH]c(=O)cc(OC[C@H]2COC(=O)O2)c1[N+](=O)[O-] ZINC001228684888 805469190 /nfs/dbraw/zinc/46/91/90/805469190.db2.gz AGEHXTDKVSYOFA-LURJTMIESA-N 0 0 270.197 0.918 20 5 CCBDRN CO[C@@H]1CC[N@H+](CCOc2nc(C)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001229378330 805526395 /nfs/dbraw/zinc/52/63/95/805526395.db2.gz KEGDMNZRKWPNDN-SECBINFHSA-N 0 0 298.299 0.498 20 5 CCBDRN COc1cncnc1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001229389415 805529457 /nfs/dbraw/zinc/52/94/57/805529457.db2.gz BAVZSUFFVWJBAZ-ZETCQYMHSA-N 0 0 293.239 0.430 20 5 CCBDRN COCC(COC)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229453466 805536170 /nfs/dbraw/zinc/53/61/70/805536170.db2.gz FMBYDUWIEYJFCT-UHFFFAOYSA-N 0 0 258.230 0.268 20 5 CCBDRN CC[C@@H](Oc1cc[n+]([O-])cc1[N+](=O)[O-])C(=O)OC ZINC001229456569 805536232 /nfs/dbraw/zinc/53/62/32/805536232.db2.gz WGEQUWSIGMNMBB-MRVPVSSYSA-N 0 0 256.214 0.559 20 5 CCBDRN O=C1CCNC[C@@H]1N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246293154 807209829 /nfs/dbraw/zinc/20/98/29/807209829.db2.gz PBGQCJJWURKAJX-AAEUAGOBSA-N 0 0 275.308 0.583 20 5 CCBDRN CC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC001253174604 808015619 /nfs/dbraw/zinc/01/56/19/808015619.db2.gz XHPXCFZZCVQAKR-SSDOTTSWSA-N 0 0 298.255 0.579 20 5 CCBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C)CCO)cc1[N+](=O)[O-] ZINC000128325696 815170495 /nfs/dbraw/zinc/17/04/95/815170495.db2.gz HGXXLBPQZIROCC-UHFFFAOYSA-N 0 0 283.240 0.876 20 5 CCBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCSC[C@@H]1CO ZINC001254046422 808171099 /nfs/dbraw/zinc/17/10/99/808171099.db2.gz PPCDQZXPPJXPPE-JTQLQIEISA-N 0 0 297.336 0.848 20 5 CCBDRN C[C@H](C[S@@](C)=O)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001254995888 808305085 /nfs/dbraw/zinc/30/50/85/808305085.db2.gz GZWYYHKDNXNXAX-QOLSBQFWSA-N 0 0 288.329 0.167 20 5 CCBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)NC ZINC000697927422 815221468 /nfs/dbraw/zinc/22/14/68/815221468.db2.gz MHUMLDTWBXIRRP-SNVBAGLBSA-N 0 0 280.284 0.431 20 5 CCBDRN C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(=O)[O-] ZINC001261481660 808991782 /nfs/dbraw/zinc/99/17/82/808991782.db2.gz JNGNLSLRLRJWDV-NXEZZACHSA-N 0 0 282.300 0.834 20 5 CCBDRN O=C(CCn1cc([N+](=O)[O-])cn1)OCc1nc[nH]n1 ZINC001261583073 809023740 /nfs/dbraw/zinc/02/37/40/809023740.db2.gz MZFZACROPRLHEE-UHFFFAOYSA-N 0 0 266.217 0.043 20 5 CCBDRN CCc1cc(C(=O)OCc2cn(C)nc2[N+](=O)[O-])nn1C ZINC001262033425 809166086 /nfs/dbraw/zinc/16/60/86/809166086.db2.gz ABJRPQAWKAOFDY-UHFFFAOYSA-N 0 0 293.283 0.981 20 5 CCBDRN O=[N+]([O-])c1cnc(N2C[C@@H]3C[C@]3(CO)C2)c(F)c1 ZINC001262365336 809292116 /nfs/dbraw/zinc/29/21/16/809292116.db2.gz YWGITFHBPHNGRC-WRWORJQWSA-N 0 0 253.233 0.948 20 5 CCBDRN Cc1cncc([N+](=O)[O-])c1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001262375386 809295319 /nfs/dbraw/zinc/29/53/19/809295319.db2.gz IEEPFEFBGGTGBE-AOOOYVTPSA-N 0 0 297.336 0.779 20 5 CCBDRN COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[C@H](OC)C1 ZINC001263261589 809500074 /nfs/dbraw/zinc/50/00/74/809500074.db2.gz IIAYYOXAUCJGIN-ZJUUUORDSA-N 0 0 299.331 0.487 20 5 CCBDRN COC1(COC(=O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC001263472913 809521271 /nfs/dbraw/zinc/52/12/71/809521271.db2.gz YSUAXYGWUGMUDS-UHFFFAOYSA-N 0 0 299.283 0.530 20 5 CCBDRN CCC(=O)N1CC[C@H](C(=O)O[C@@H](CC)C[N+](=O)[O-])C1 ZINC001263622858 809543104 /nfs/dbraw/zinc/54/31/04/809543104.db2.gz BESTXNQBCMAXJQ-UWVGGRQHSA-N 0 0 272.301 0.843 20 5 CCBDRN CC(=O)NC1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001264855532 809679794 /nfs/dbraw/zinc/67/97/94/809679794.db2.gz DQKAEMZOJFFHAP-UHFFFAOYSA-N 0 0 285.344 0.949 20 5 CCBDRN COc1ncnc(NC[C@@H]2COCCN2C)c1[N+](=O)[O-] ZINC000700131014 809729426 /nfs/dbraw/zinc/72/94/26/809729426.db2.gz KSBHWTHUTPPTNH-MRVPVSSYSA-N 0 0 283.288 0.136 20 5 CCBDRN CN1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)n1 ZINC000700246589 809731987 /nfs/dbraw/zinc/73/19/87/809731987.db2.gz ZPBIEKQHZRMNAD-QMMMGPOBSA-N 0 0 267.289 0.315 20 5 CCBDRN COc1ccc([N+](=O)[O-])c(-n2c(C)ncc(C[NH3+])c2=N)n1 ZINC001167671308 811106008 /nfs/dbraw/zinc/10/60/08/811106008.db2.gz AEJSQNDFLKOQRX-UHFFFAOYSA-N 0 0 290.283 0.431 20 5 CCBDRN CC1(O)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000230702928 811634981 /nfs/dbraw/zinc/63/49/81/811634981.db2.gz SOUSEYJUMJSGBX-UHFFFAOYSA-N 0 0 280.284 0.559 20 5 CCBDRN C[C@@](CO)(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(O)cc1 ZINC001143501246 811676670 /nfs/dbraw/zinc/67/66/70/811676670.db2.gz ZJBVGBJMSPZTKS-WZRBSPASSA-N 0 0 280.280 0.381 20 5 CCBDRN O=c1cc(Nc2cnc([N+](=O)[O-])cn2)n(C2CC2)c(=O)[nH]1 ZINC001167762859 811923686 /nfs/dbraw/zinc/92/36/86/811923686.db2.gz PFCATMIKYPWKOD-UHFFFAOYSA-N 0 0 290.239 0.726 20 5 CCBDRN Cn1cc(NCCN2CCSCC2)cc([N+](=O)[O-])c1=O ZINC001167837640 812252586 /nfs/dbraw/zinc/25/25/86/812252586.db2.gz OTYFSXMLDKFLFB-UHFFFAOYSA-N 0 0 298.368 0.754 20 5 CCBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@H](O)C2)n1 ZINC001167847086 812284845 /nfs/dbraw/zinc/28/48/45/812284845.db2.gz DWTPLZKSOSCODT-XWEPSHTISA-N 0 0 251.242 0.551 20 5 CCBDRN COC(=O)C(C(=O)OC)c1ncc(NC=N)cc1[N+](=O)[O-] ZINC001167865632 812334855 /nfs/dbraw/zinc/33/48/55/812334855.db2.gz QOMBPAFJDINOGZ-UHFFFAOYSA-N 0 0 296.239 0.438 20 5 CCBDRN CN(C(=O)c1cn(C)ccc1=O)c1ccc([N+](=O)[O-])nc1 ZINC001270303636 813715148 /nfs/dbraw/zinc/71/51/48/813715148.db2.gz REKQIHCMTJVKNC-UHFFFAOYSA-N 0 0 288.263 0.965 20 5 CCBDRN CCC(CO)(CO)Nc1ncc(F)c(C)c1[N+](=O)[O-] ZINC001167966540 813836001 /nfs/dbraw/zinc/83/60/01/813836001.db2.gz HZKXJRXJHFOUTB-UHFFFAOYSA-N 0 0 273.264 0.983 20 5 CCBDRN COCC(=O)NCCN(c1ncccc1[N+](=O)[O-])C1CC1 ZINC001101285629 813884197 /nfs/dbraw/zinc/88/41/97/813884197.db2.gz OFWPYWJPHAVBPF-UHFFFAOYSA-N 0 0 294.311 0.721 20 5 CCBDRN COC(=O)[C@H]1C[C@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226731176 814113077 /nfs/dbraw/zinc/11/30/77/814113077.db2.gz LGWKGOHUXOLSQQ-FKQCQYRASA-N 0 0 253.214 0.715 20 5 CCBDRN CC(=O)N1CCC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226732750 814113710 /nfs/dbraw/zinc/11/37/10/814113710.db2.gz YODOKTYPNBPWMA-SNVBAGLBSA-N 0 0 266.257 0.775 20 5 CCBDRN CCOC(=O)[C@@H](Nc1ncc([N+](=O)[O-])cc1NC)[C@@H](C)O ZINC001168037738 814282653 /nfs/dbraw/zinc/28/26/53/814282653.db2.gz PURDZJUJUPMCGT-XCBNKYQSSA-N 0 0 298.299 0.756 20 5 CCBDRN Cc1ncc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)o1 ZINC001142008285 814437802 /nfs/dbraw/zinc/43/78/02/814437802.db2.gz VIVDCZFJCBXNGL-UHFFFAOYSA-N 0 0 278.224 0.922 20 5 CCBDRN Cc1ncc([N+](=O)[O-])n1CCN1CCSC[C@H]1C(N)=O ZINC001168223368 814913956 /nfs/dbraw/zinc/91/39/56/814913956.db2.gz YKOMNDBQKAWLHQ-VIFPVBQESA-N 0 0 299.356 0.002 20 5 CCBDRN COc1cccnc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001127068529 815626220 /nfs/dbraw/zinc/62/62/20/815626220.db2.gz KOVNEQWXCJKUGP-UHFFFAOYSA-N 0 0 291.267 0.625 20 5 CCBDRN Cc1ncc(CN2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001030292075 815960798 /nfs/dbraw/zinc/96/07/98/815960798.db2.gz SHNVCJIHJPCDNY-GHMZBOCLSA-N 0 0 296.352 0.417 20 5 CCBDRN CN1CCO[C@H](COc2ccnc([N+](=O)[O-])c2)C1=O ZINC001233857426 816423124 /nfs/dbraw/zinc/42/31/24/816423124.db2.gz LKNIJZNZHNWSKH-SECBINFHSA-N 0 0 267.241 0.226 20 5 CCBDRN O=C(N[C@H]1CCNC1=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000698949033 816450433 /nfs/dbraw/zinc/45/04/33/816450433.db2.gz QFEAENKPDFLHCK-QMMMGPOBSA-N 0 0 283.671 0.867 20 5 CCBDRN C[C@@H](COC(=O)c1ccc(C(N)=O)nc1)[N+](=O)[O-] ZINC001122969070 816817875 /nfs/dbraw/zinc/81/78/75/816817875.db2.gz YCMOPFCTMXBIGH-LURJTMIESA-N 0 0 253.214 0.003 20 5 CCBDRN CN1C(=O)CN=C1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001168504345 816925806 /nfs/dbraw/zinc/92/58/06/816925806.db2.gz HAWYQVGWSRYIRJ-UHFFFAOYSA-N 0 0 280.215 0.292 20 5 CCBDRN COC(=O)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669345 817279411 /nfs/dbraw/zinc/27/94/11/817279411.db2.gz YIGRWPUCNSXSDF-UHFFFAOYSA-N 0 0 256.189 0.637 20 5 CCBDRN O=C(N[C@H]1CCC2(C1)OCCO2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001127607980 817343192 /nfs/dbraw/zinc/34/31/92/817343192.db2.gz JILYDRYDVWFAOV-DJLDLDEBSA-N 0 0 256.258 0.063 20 5 CCBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC2(C1)OCCO2 ZINC000701196409 818914270 /nfs/dbraw/zinc/91/42/70/818914270.db2.gz UXKXIFODINURTJ-UHFFFAOYSA-N 0 0 267.241 0.512 20 5 CCBDRN CC(=O)Nc1ccc(-n2cnc(CN)n2)cc1[N+](=O)[O-] ZINC001168754598 819171082 /nfs/dbraw/zinc/17/10/82/819171082.db2.gz SDNQSOYBTWCDSE-UHFFFAOYSA-N 0 0 276.256 0.593 20 5 CCBDRN Nc1c(C(=O)NCc2ncccn2)cccc1[N+](=O)[O-] ZINC000705306758 819473522 /nfs/dbraw/zinc/47/35/22/819473522.db2.gz HSSRMBVVSBWYAT-UHFFFAOYSA-N 0 0 273.252 0.897 20 5 CCBDRN Cc1cccc(N2C[C@H](CO)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000705351540 819487423 /nfs/dbraw/zinc/48/74/23/819487423.db2.gz NMFKVJUDMKQLGZ-PHIMTYICSA-N 0 0 266.297 0.940 20 5 CCBDRN [NH3+]Cc1nc(=O)[n-]n1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001168760192 819627246 /nfs/dbraw/zinc/62/72/46/819627246.db2.gz BZZNFWBGENGPGU-UHFFFAOYSA-N 0 0 287.239 0.283 20 5 CCBDRN COc1cc(-n2[n-]c(=O)nc2C[NH3+])cc([N+](=O)[O-])c1C ZINC001168761271 819807188 /nfs/dbraw/zinc/80/71/88/819807188.db2.gz OLKDLJWUPGNESO-UHFFFAOYSA-N 0 0 279.256 0.657 20 5 CCBDRN O=C1NC[C@H](CNc2ncc(F)cc2[N+](=O)[O-])O1 ZINC001163015611 819899555 /nfs/dbraw/zinc/89/95/55/819899555.db2.gz HDFVRXUJVXFNFC-LURJTMIESA-N 0 0 256.193 0.649 20 5 CCBDRN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC2)n1 ZINC001163537859 820108871 /nfs/dbraw/zinc/10/88/71/820108871.db2.gz BFSAGZDYUDWKET-UHFFFAOYSA-N 0 0 251.246 0.862 20 5 CCBDRN COc1ccc(NC[C@H]2CCC(=O)N2)nc1[N+](=O)[O-] ZINC001164159143 820639741 /nfs/dbraw/zinc/63/97/41/820639741.db2.gz NHYPXBBQXUGKKG-SSDOTTSWSA-N 0 0 266.257 0.689 20 5 CCBDRN Nc1ccc(NC(=O)CO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC001118706537 820778950 /nfs/dbraw/zinc/77/89/50/820778950.db2.gz OHDKEQZYNCRIJW-VIFPVBQESA-N 0 0 281.268 0.921 20 5 CCBDRN Cc1nnc(CN(C)C(=O)c2c[nH]nc2[N+](=O)[O-])o1 ZINC001118728045 820824587 /nfs/dbraw/zinc/82/45/87/820824587.db2.gz RGZBMLHUQPNCSR-UHFFFAOYSA-N 0 0 266.217 0.282 20 5 CCBDRN COC(=O)c1cc([N+](=O)[O-])cc(N[C@H](C)CCO)n1 ZINC001165869242 821071839 /nfs/dbraw/zinc/07/18/39/821071839.db2.gz XVZWATHCOJOUHS-SSDOTTSWSA-N 0 0 269.257 0.959 20 5 CCBDRN O=[N+]([O-])c1cc[n+]([O-])c(N2CCC3(C2)OCCO3)c1 ZINC001166589464 821154040 /nfs/dbraw/zinc/15/40/40/821154040.db2.gz CFLGJMUPIYYQPY-UHFFFAOYSA-N 0 0 267.241 0.181 20 5 CCBDRN C[C@@]1(CO)C[C@@H](O)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001214556867 822244866 /nfs/dbraw/zinc/24/48/66/822244866.db2.gz BZWPCMMXBXOHOU-YPMHNXCESA-N 0 0 295.295 0.944 20 5 CCBDRN COC(=O)[C@@H](CO)Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001155923360 822277610 /nfs/dbraw/zinc/27/76/10/822277610.db2.gz FOSCJMBGIYIZRN-SNVBAGLBSA-N 0 0 292.251 0.484 20 5 CCBDRN CC(=O)N1CCC[C@@H](CNc2c[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001168779372 822317635 /nfs/dbraw/zinc/31/76/35/822317635.db2.gz JJYHILNYQJVBIF-NSHDSACASA-N 0 0 294.311 0.899 20 5 CCBDRN COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC(=O)N1 ZINC001156142630 822321433 /nfs/dbraw/zinc/32/14/33/822321433.db2.gz PONVTOXALPVREV-SSDOTTSWSA-N 0 0 294.267 0.467 20 5 CCBDRN COC(C)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)OC ZINC001170433276 837442690 /nfs/dbraw/zinc/44/26/90/837442690.db2.gz SFSPSXRSZPDQHU-UHFFFAOYSA-N 0 0 284.272 0.510 20 5 CCBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCCC[C@H]1F ZINC001129700147 837547500 /nfs/dbraw/zinc/54/75/00/837547500.db2.gz VRNKEMVQCGAACC-HTQZYQBOSA-N 0 0 271.252 0.583 20 5 CCBDRN CCNC(=O)C(C)(C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC001183669976 844062783 /nfs/dbraw/zinc/06/27/83/844062783.db2.gz MIEMCBHKHLOCLZ-UHFFFAOYSA-N 0 0 297.315 0.281 20 5 CCBDRN NC(=O)CCNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001168952221 836071242 /nfs/dbraw/zinc/07/12/42/836071242.db2.gz FOVKEOCJWSLRAV-UHFFFAOYSA-N 0 0 279.231 0.964 20 5 CCBDRN COC(=O)[C@@H](N)Cc1cncn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168960225 836084280 /nfs/dbraw/zinc/08/42/80/836084280.db2.gz FAAJLZKHOMQMMJ-NHCYSSNCSA-N 0 0 296.327 0.544 20 5 CCBDRN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCn3ncnc3C2)C1 ZINC001169007459 836097205 /nfs/dbraw/zinc/09/72/05/836097205.db2.gz NYMJJDQOGAILKB-VHSXEESVSA-N 0 0 251.290 0.539 20 5 CCBDRN CCOC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169032978 836108891 /nfs/dbraw/zinc/10/88/91/836108891.db2.gz AMURTUNUQMSXLI-UTUOFQBUSA-N 0 0 286.328 0.696 20 5 CCBDRN COC(=O)[C@]1(C)COCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169048704 836116455 /nfs/dbraw/zinc/11/64/55/836116455.db2.gz ATMPRNBKQGRDHQ-GVXVVHGQSA-N 0 0 286.328 0.696 20 5 CCBDRN COC(=O)[C@]1(C)COCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169048705 836116598 /nfs/dbraw/zinc/11/65/98/836116598.db2.gz ATMPRNBKQGRDHQ-LOWVWBTDSA-N 0 0 286.328 0.696 20 5 CCBDRN O=C1NCc2c1c([N+](=O)[O-])ccc2NCC1OCCO1 ZINC001169066792 836122975 /nfs/dbraw/zinc/12/29/75/836122975.db2.gz JPZBHSHKMBWFMG-UHFFFAOYSA-N 0 0 279.252 0.623 20 5 CCBDRN COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1COC(=O)C1 ZINC001169124549 836140954 /nfs/dbraw/zinc/14/09/54/836140954.db2.gz VUTOFEHHMJFLGP-ZCFIWIBFSA-N 0 0 281.224 0.504 20 5 CCBDRN CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)n1)C(N)=O ZINC001169148725 836153825 /nfs/dbraw/zinc/15/38/25/836153825.db2.gz ZMZSGPZGORDPOG-RCOVLWMOSA-N 0 0 295.299 0.401 20 5 CCBDRN CCOc1cc(NC[C@H]2CNC(=O)CO2)ccc1[N+](=O)[O-] ZINC001169285128 836186779 /nfs/dbraw/zinc/18/67/79/836186779.db2.gz FKEMDTKLGJYSCD-JTQLQIEISA-N 0 0 295.295 0.920 20 5 CCBDRN NC(=O)[C@H](CO)Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001169322818 836197558 /nfs/dbraw/zinc/19/75/58/836197558.db2.gz CBICLZDORCGASQ-QMMMGPOBSA-N 0 0 294.242 0.540 20 5 CCBDRN NC(=O)[C@H](CO)Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001169331185 836225450 /nfs/dbraw/zinc/22/54/50/836225450.db2.gz HHCSEDPXJNKMKM-VIFPVBQESA-N 0 0 276.252 0.401 20 5 CCBDRN Cn1cc(N[C@H]2CCCOC2)cc([N+](=O)[O-])c1=O ZINC001169662665 836415251 /nfs/dbraw/zinc/41/52/51/836415251.db2.gz SOZRBXZLMKEMML-QMMMGPOBSA-N 0 0 253.258 0.884 20 5 CCBDRN C=CC(=O)NCCNc1nccc(N)c1[N+](=O)[O-] ZINC001169805258 836441855 /nfs/dbraw/zinc/44/18/55/836441855.db2.gz XBMDRSFHBXTUFD-UHFFFAOYSA-N 0 0 251.246 0.286 20 5 CCBDRN C=CC(=O)NCCNc1nc(C)nc(OC)c1[N+](=O)[O-] ZINC001169803214 836442147 /nfs/dbraw/zinc/44/21/47/836442147.db2.gz RMMOJIISZVKXAS-UHFFFAOYSA-N 0 0 281.272 0.416 20 5 CCBDRN CNC(=O)[C@H](C)Nc1nc(C)c([N+](=O)[O-])c(OC)n1 ZINC001169980048 836624686 /nfs/dbraw/zinc/62/46/86/836624686.db2.gz XHGGTCHDLVKLEZ-LURJTMIESA-N 0 0 269.261 0.248 20 5 CCBDRN CN[C@@H]1CCN1c1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001156646867 836654082 /nfs/dbraw/zinc/65/40/82/836654082.db2.gz IGQYUMSDSPZHKM-LURJTMIESA-N 0 0 269.261 0.158 20 5 CCBDRN CC(=O)N(C)CCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001109367078 836661937 /nfs/dbraw/zinc/66/19/37/836661937.db2.gz ZIPIEZIOYCIZOQ-UHFFFAOYSA-N 0 0 268.277 0.247 20 5 CCBDRN COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCC(=O)CCO ZINC001170099170 836998139 /nfs/dbraw/zinc/99/81/39/836998139.db2.gz CBAXUCPCSXCUSB-UHFFFAOYSA-N 0 0 297.267 0.448 20 5 CCBDRN CC(C)[C@@H](NCc1cn(C)nc1[N+](=O)[O-])c1nncn1C ZINC001170129740 837064521 /nfs/dbraw/zinc/06/45/21/837064521.db2.gz ZTQDTKQBOLUVOZ-SNVBAGLBSA-N 0 0 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