smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC001174480830 793996956 /nfs/dbraw/zinc/99/69/56/793996956.db2.gz VIVQRYRQZRGZPF-UHFFFAOYSA-N -1 1 311.294 2.117 20 5 DEBDMM Cc1scc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1C ZINC001161719090 798921544 /nfs/dbraw/zinc/92/15/44/798921544.db2.gz AFZZIRMQHSZLOW-UHFFFAOYSA-N -1 1 307.331 2.304 20 5 DEBDMM O=C1OCC[C@H]1Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229517655 801288217 /nfs/dbraw/zinc/28/82/17/801288217.db2.gz OEFMQYGEPBCYOW-CYBMUJFWSA-N -1 1 312.277 2.346 20 5 DEBDMM CN(C)c1nc(Nc2cccc([N+](=O)[O-])c2F)c(N=O)c(=O)[n-]1 ZINC001210382863 801388422 /nfs/dbraw/zinc/38/84/22/801388422.db2.gz VNKZZWVUDFBSRG-UHFFFAOYSA-N -1 1 322.256 2.437 20 5 DEBDMM O=[N+]([O-])c1cc(Nc2cccnc2N2CCOCC2)ccc1[O-] ZINC001210393363 801389974 /nfs/dbraw/zinc/38/99/74/801389974.db2.gz QWIGDNGUNIPGNZ-UHFFFAOYSA-N -1 1 316.317 2.276 20 5 DEBDMM COCCN(c1ccc([O-])c([N+](=O)[O-])c1)c1ncccc1N ZINC001210392844 801390097 /nfs/dbraw/zinc/39/00/97/801390097.db2.gz KKNKWBIAGVCFEX-UHFFFAOYSA-N -1 1 304.306 2.062 20 5 DEBDMM Cc1cn2c(n1)[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])CCC2 ZINC001231264223 801621329 /nfs/dbraw/zinc/62/13/29/801621329.db2.gz PNAVZXSOBREHEY-NSHDSACASA-N -1 1 304.306 2.423 20 5 DEBDMM CCOC(=O)[C@@H]1CCC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225664957 802999013 /nfs/dbraw/zinc/99/90/13/802999013.db2.gz VJBHRCNMEJPSMR-NXEZZACHSA-N -1 1 310.306 2.196 20 5 DEBDMM C[C@H](COc1nc[n-]c(=O)c1[N+](=O)[O-])OCc1ccccc1 ZINC001228141520 803324782 /nfs/dbraw/zinc/32/47/82/803324782.db2.gz RLDXYJANJBQRGY-SNVBAGLBSA-N -1 1 305.290 2.075 20 5 DEBDMM O=C1CC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC001228142554 803325493 /nfs/dbraw/zinc/32/54/93/803325493.db2.gz DTXZEMYHNXWFEA-NSHDSACASA-N -1 1 301.258 2.187 20 5 DEBDMM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001611421804 971043588 /nfs/dbraw/zinc/04/35/88/971043588.db2.gz VKDDARHKGCZEIS-NSHDSACASA-N -1 1 322.317 2.160 20 5 DEBDMM C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001589355282 954127409 /nfs/dbraw/zinc/12/74/09/954127409.db2.gz PCKCFTCVHJOWDC-BXKDBHETSA-N -1 1 323.305 2.046 20 5 DEBDMM O=C([O-])C1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCCCC1 ZINC001594721626 956974221 /nfs/dbraw/zinc/97/42/21/956974221.db2.gz QJSAMFBLHPJGTO-UHFFFAOYSA-N -1 1 322.317 2.208 20 5 DEBDMM CC(C)O[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001591737070 975731331 /nfs/dbraw/zinc/73/13/31/975731331.db2.gz DXCXIQIJLCPCON-CYBMUJFWSA-N -1 1 308.334 2.292 20 5 DEBDMM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc12 ZINC001602379826 1069624100 /nfs/dbraw/zinc/62/41/00/1069624100.db2.gz ZMLLHDQEFCTVPZ-DGCLKSJQSA-N -1 1 300.270 2.142 20 5 DEBDMM CC(C)c1ccccc1Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001603405977 1069963849 /nfs/dbraw/zinc/96/38/49/1069963849.db2.gz VBPHGVXJULUHKH-UHFFFAOYSA-N -1 1 313.321 2.143 20 5 DEBDMM COC1(CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCC1 ZINC001605015521 1070573324 /nfs/dbraw/zinc/57/33/24/1070573324.db2.gz CXHKRJOURXUZQQ-UHFFFAOYSA-N -1 1 324.366 2.208 20 5 DEBDMM COC1(CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCC1 ZINC001605015521 1070573334 /nfs/dbraw/zinc/57/33/34/1070573334.db2.gz CXHKRJOURXUZQQ-UHFFFAOYSA-N -1 1 324.366 2.208 20 5 DEBDMM CO[C@H]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001605028442 1070584250 /nfs/dbraw/zinc/58/42/50/1070584250.db2.gz DWULVWKIVFYUBD-KOLCDFICSA-N -1 1 318.337 2.063 20 5 DEBDMM CO[C@H]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001605028442 1070584261 /nfs/dbraw/zinc/58/42/61/1070584261.db2.gz DWULVWKIVFYUBD-KOLCDFICSA-N -1 1 318.337 2.063 20 5 DEBDMM Cc1cc(N2CC[C@@H](C)[C@H](F)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605694166 1070847269 /nfs/dbraw/zinc/84/72/69/1070847269.db2.gz NPVOYJCTPUWVQF-PRHODGIISA-N -1 1 320.328 2.268 20 5 DEBDMM Cc1cc(N2CC[C@@H](C)[C@H](F)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605694166 1070847300 /nfs/dbraw/zinc/84/73/00/1070847300.db2.gz NPVOYJCTPUWVQF-PRHODGIISA-N -1 1 320.328 2.268 20 5 DEBDMM Cc1cnc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)s1 ZINC001605979653 1070996121 /nfs/dbraw/zinc/99/61/21/1070996121.db2.gz WGGGFZAQWSGCHZ-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM O=[N+]([O-])c1cccc(CSc2cccnc2-c2nnn[n-]2)c1 ZINC001607084613 1071292337 /nfs/dbraw/zinc/29/23/37/1071292337.db2.gz PQSCJRNQJNEURH-UHFFFAOYSA-N -1 1 314.330 2.462 20 5 DEBDMM O=[N+]([O-])c1cccc(CSc2cccnc2-c2nn[n-]n2)c1 ZINC001607084613 1071292341 /nfs/dbraw/zinc/29/23/41/1071292341.db2.gz PQSCJRNQJNEURH-UHFFFAOYSA-N -1 1 314.330 2.462 20 5 DEBDMM CCOC(=O)c1cc(C(=O)[N-]c2conc2C)cc([N+](=O)[O-])c1 ZINC001530846295 1071335272 /nfs/dbraw/zinc/33/52/72/1071335272.db2.gz CAUBKHOUJGVAOM-UHFFFAOYSA-N -1 1 319.273 2.320 20 5 DEBDMM Cc1cc(C[C@@H](C)Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])[nH]n1 ZINC001607638242 1071503733 /nfs/dbraw/zinc/50/37/33/1071503733.db2.gz OXBLSAZWPBCWCD-SECBINFHSA-N -1 1 318.333 2.297 20 5 DEBDMM CCc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC001457905777 1058037659 /nfs/dbraw/zinc/03/76/59/1058037659.db2.gz OYUDCIXSADSTDP-UHFFFAOYSA-N -1 1 301.302 2.188 20 5 DEBDMM CCc1ccccc1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001463145059 1058935208 /nfs/dbraw/zinc/93/52/08/1058935208.db2.gz PQGMLMZZKGBSLB-UHFFFAOYSA-N -1 1 321.358 2.031 20 5 DEBDMM C[C@H]1Cc2ccccc2CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001629100143 1078309602 /nfs/dbraw/zinc/30/96/02/1078309602.db2.gz JVECAFRZOPWOGK-JTQLQIEISA-N -1 1 313.313 2.282 20 5 DEBDMM O=C(NCc1cccc2[nH]ccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001632911754 1078393426 /nfs/dbraw/zinc/39/34/26/1078393426.db2.gz CWAOEOQYKKNJDS-UHFFFAOYSA-N -1 1 312.285 2.107 20 5 DEBDMM Cc1ccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])nc1 ZINC001581200352 1076050487 /nfs/dbraw/zinc/05/04/87/1076050487.db2.gz JAGLZOMHYSLNIC-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM Cc1ccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])nc1 ZINC001581200352 1076050490 /nfs/dbraw/zinc/05/04/90/1076050490.db2.gz JAGLZOMHYSLNIC-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM Cc1cnc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])s1 ZINC001581322101 1076064682 /nfs/dbraw/zinc/06/46/82/1076064682.db2.gz VVYCCEIWYHCGPS-UHFFFAOYSA-N -1 1 323.363 2.213 20 5 DEBDMM Cc1cnc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])s1 ZINC001581322101 1076064685 /nfs/dbraw/zinc/06/46/85/1076064685.db2.gz VVYCCEIWYHCGPS-UHFFFAOYSA-N -1 1 323.363 2.213 20 5 DEBDMM CC(C)=CCCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589377356 1076487913 /nfs/dbraw/zinc/48/79/13/1076487913.db2.gz PDIAZUWDROZWMH-UHFFFAOYSA-N -1 1 303.326 2.125 20 5 DEBDMM CC(C)=CCCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589377356 1076487919 /nfs/dbraw/zinc/48/79/19/1076487919.db2.gz PDIAZUWDROZWMH-UHFFFAOYSA-N -1 1 303.326 2.125 20 5 DEBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001589979957 1076541780 /nfs/dbraw/zinc/54/17/80/1076541780.db2.gz CZXNWKPENUULQU-SFYZADRCSA-N -1 1 324.366 2.063 20 5 DEBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001589979957 1076541785 /nfs/dbraw/zinc/54/17/85/1076541785.db2.gz CZXNWKPENUULQU-SFYZADRCSA-N -1 1 324.366 2.063 20 5 DEBDMM C[C@H]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)O1 ZINC001590244001 1076597595 /nfs/dbraw/zinc/59/75/95/1076597595.db2.gz QUMURNGUWKCFLI-GXSJLCMTSA-N -1 1 318.337 2.144 20 5 DEBDMM C[C@H]1SCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590338684 1076613159 /nfs/dbraw/zinc/61/31/59/1076613159.db2.gz VMJPIYBGLHSZRL-XCBNKYQSSA-N -1 1 306.351 2.081 20 5 DEBDMM CO[C@@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591361290 1076734117 /nfs/dbraw/zinc/73/41/17/1076734117.db2.gz MSJHWTZOBXGZMT-TVQRCGJNSA-N -1 1 318.337 2.002 20 5 DEBDMM CO[C@@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591361290 1076734120 /nfs/dbraw/zinc/73/41/20/1076734120.db2.gz MSJHWTZOBXGZMT-TVQRCGJNSA-N -1 1 318.337 2.002 20 5 DEBDMM CSCCCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591699698 1076775869 /nfs/dbraw/zinc/77/58/69/1076775869.db2.gz SNNYEEJQZVWZAL-UHFFFAOYSA-N -1 1 308.367 2.330 20 5 DEBDMM CSCCCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591699698 1076775872 /nfs/dbraw/zinc/77/58/72/1076775872.db2.gz SNNYEEJQZVWZAL-UHFFFAOYSA-N -1 1 308.367 2.330 20 5 DEBDMM Cc1cc(NC[C@@H]2CCC=CO2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592043159 1076837899 /nfs/dbraw/zinc/83/78/99/1076837899.db2.gz BPYACSPEXRRRDH-NSHDSACASA-N -1 1 316.321 2.188 20 5 DEBDMM Cc1cc(NC[C@@H]2CCC=CO2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592043159 1076837905 /nfs/dbraw/zinc/83/79/05/1076837905.db2.gz BPYACSPEXRRRDH-NSHDSACASA-N -1 1 316.321 2.188 20 5 DEBDMM O=[N+]([O-])c1c(N[C@H]2C[C@@H]2c2cccnc2)cccc1-c1nnn[n-]1 ZINC001593469067 1077005147 /nfs/dbraw/zinc/00/51/47/1077005147.db2.gz LVAKJSIHFMHXFP-YPMHNXCESA-N -1 1 323.316 2.138 20 5 DEBDMM O=[N+]([O-])c1c(N[C@H]2C[C@@H]2c2cccnc2)cccc1-c1nn[n-]n1 ZINC001593469067 1077005152 /nfs/dbraw/zinc/00/51/52/1077005152.db2.gz LVAKJSIHFMHXFP-YPMHNXCESA-N -1 1 323.316 2.138 20 5 DEBDMM O=[N+]([O-])c1c(NCCCOCC2CC2)cccc1-c1nnn[n-]1 ZINC001593465598 1077005403 /nfs/dbraw/zinc/00/54/03/1077005403.db2.gz QHAPAJPJFDYESY-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM O=[N+]([O-])c1c(NCCCOCC2CC2)cccc1-c1nn[n-]n1 ZINC001593465598 1077005406 /nfs/dbraw/zinc/00/54/06/1077005406.db2.gz QHAPAJPJFDYESY-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCC1CCC1 ZINC001593465707 1077005993 /nfs/dbraw/zinc/00/59/93/1077005993.db2.gz WYTMFPIFKWXZBP-UHFFFAOYSA-N -1 1 303.326 2.162 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCC1CCC1 ZINC001593465707 1077005997 /nfs/dbraw/zinc/00/59/97/1077005997.db2.gz WYTMFPIFKWXZBP-UHFFFAOYSA-N -1 1 303.326 2.162 20 5 DEBDMM CC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCOCC1 ZINC001609149774 1077773712 /nfs/dbraw/zinc/77/37/12/1077773712.db2.gz ZPKTYKPYYDPJPG-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM CC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCOCC1 ZINC001609149774 1077773715 /nfs/dbraw/zinc/77/37/15/1077773715.db2.gz ZPKTYKPYYDPJPG-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM [NH3+]Cc1nc(=O)[nH]n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001168760574 1086663590 /nfs/dbraw/zinc/66/35/90/1086663590.db2.gz BJZJFZZAVWJMJD-UHFFFAOYSA-N -1 1 311.301 2.007 20 5 DEBDMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc([N+](=O)[O-])s1 ZINC001275595842 1091898226 /nfs/dbraw/zinc/89/82/26/1091898226.db2.gz IFHJYJZNOKLTBA-UHFFFAOYSA-N -1 1 320.330 2.283 20 5 DEBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000146551383 186038400 /nfs/dbraw/zinc/03/84/00/186038400.db2.gz BTLXUBABEIRJBY-ZETCQYMHSA-N -1 1 304.755 2.325 20 5 DEBDMM CCn1cc([N+](=O)[O-])c(C(=O)N2CCCc3cccc([O-])c32)n1 ZINC000191881123 186269263 /nfs/dbraw/zinc/26/92/63/186269263.db2.gz IFGIHFRZLLALMT-UHFFFAOYSA-N -1 1 316.317 2.110 20 5 DEBDMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000332669355 282901829 /nfs/dbraw/zinc/90/18/29/282901829.db2.gz RNFYLRDJBMWMNV-CKYFFXLPSA-N -1 1 305.334 2.394 20 5 DEBDMM CCCc1cc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[nH]n1 ZINC000126486275 355816996 /nfs/dbraw/zinc/81/69/96/355816996.db2.gz WXICIPBKRBXVEN-UHFFFAOYSA-N -1 1 324.362 2.380 20 5 DEBDMM CC(C)=CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000276918789 213176311 /nfs/dbraw/zinc/17/63/11/213176311.db2.gz YJPGOOYTVOOSNY-UHFFFAOYSA-N -1 1 302.327 2.369 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000590564034 357558165 /nfs/dbraw/zinc/55/81/65/357558165.db2.gz CAARGVVGLZWTPC-UHFFFAOYSA-N -1 1 320.305 2.048 20 5 DEBDMM Cc1ccc(F)c(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444423367 283269295 /nfs/dbraw/zinc/26/92/95/283269295.db2.gz IZSKQCCWBZTYMI-UHFFFAOYSA-N -1 1 319.292 2.415 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccncc1 ZINC000186847398 200021341 /nfs/dbraw/zinc/02/13/41/200021341.db2.gz QREYFAXDOCBMLJ-LBPRGKRZSA-N -1 1 314.301 2.068 20 5 DEBDMM CCOCCC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC1 ZINC000187194814 200075113 /nfs/dbraw/zinc/07/51/13/200075113.db2.gz JYRWWJDZKFJGQW-UHFFFAOYSA-N -1 1 323.349 2.022 20 5 DEBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000610263667 361376462 /nfs/dbraw/zinc/37/64/62/361376462.db2.gz URVNZZMLWDIYLP-GMTAPVOTSA-N -1 1 313.379 2.093 20 5 DEBDMM C[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC12CCC2 ZINC000278057369 213937507 /nfs/dbraw/zinc/93/75/07/213937507.db2.gz MPODQPBNDCWBOK-JTQLQIEISA-N -1 1 305.334 2.348 20 5 DEBDMM CCNC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000343363129 132671825 /nfs/dbraw/zinc/67/18/25/132671825.db2.gz VIWTYCQPPBDNNA-UHFFFAOYSA-N -1 1 317.305 2.317 20 5 DEBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)[n-]1 ZINC000355653957 133039880 /nfs/dbraw/zinc/03/98/80/133039880.db2.gz ANZNMAUXRFFNBZ-UHFFFAOYSA-N -1 1 323.272 2.221 20 5 DEBDMM CC(C)(NC(=O)c1ncccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000153959956 402183086 /nfs/dbraw/zinc/18/30/86/402183086.db2.gz UQRSBGRHNDFWIA-UHFFFAOYSA-N -1 1 301.302 2.361 20 5 DEBDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C ZINC000160471933 402346965 /nfs/dbraw/zinc/34/69/65/402346965.db2.gz CMMNNOIBMMRVMD-UHFFFAOYSA-N -1 1 324.362 2.352 20 5 DEBDMM CCOc1ccccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186999101 402477206 /nfs/dbraw/zinc/47/72/06/402477206.db2.gz ZIYUPRBXRIGUDT-UHFFFAOYSA-N -1 1 317.301 2.024 20 5 DEBDMM CN(C)Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000182143153 402668275 /nfs/dbraw/zinc/66/82/75/402668275.db2.gz CCZLTRFBARHTHZ-UHFFFAOYSA-N -1 1 316.317 2.009 20 5 DEBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccncc2)cc1[N+](=O)[O-] ZINC000191902063 402697426 /nfs/dbraw/zinc/69/74/26/402697426.db2.gz GGIBKDAOHCDGCK-UHFFFAOYSA-N -1 1 307.331 2.407 20 5 DEBDMM Cn1nccc1[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000332271822 403536555 /nfs/dbraw/zinc/53/65/55/403536555.db2.gz CWNLYDRMLADHHZ-LBPRGKRZSA-N -1 1 316.361 2.414 20 5 DEBDMM 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ZINC001612591788 1078112267 /nfs/dbraw/zinc/11/22/67/1078112267.db2.gz GURXVVFNFGXZTK-SECBINFHSA-N -1 1 319.321 2.371 20 5 DEBDMM Cc1ccc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)[nH]n2)o1 ZINC001631149277 1078358510 /nfs/dbraw/zinc/35/85/10/1078358510.db2.gz MPICFUPENMKIKU-UHFFFAOYSA-N -1 1 301.262 2.467 20 5 DEBDMM CN1CCOc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC001633656368 1078410677 /nfs/dbraw/zinc/41/06/77/1078410677.db2.gz KIJJGHOCYBZRCP-UHFFFAOYSA-N -1 1 302.290 2.004 20 5 DEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(c2ccc(F)cc2)C1 ZINC001638731772 1078579310 /nfs/dbraw/zinc/57/93/10/1078579310.db2.gz MSATVNWCBCRMPL-UHFFFAOYSA-N -1 1 317.276 2.074 20 5 DEBDMM O=C(NCC[C@@H]1CCCC1(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001644481519 1078847826 /nfs/dbraw/zinc/84/78/26/1078847826.db2.gz NYRNUKKXNVDJEA-VIFPVBQESA-N -1 1 315.276 2.251 20 5 DEBDMM Cc1ccoc1CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001581305897 1076062472 /nfs/dbraw/zinc/06/24/72/1076062472.db2.gz LGZFCVJHLDHRKJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/56/62/18/1076566218.db2.gz MRSTVOYPNRTZPP-SNVBAGLBSA-N -1 1 320.378 2.461 20 5 DEBDMM C[C@H]1C[C@@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001590191654 1076580004 /nfs/dbraw/zinc/58/00/04/1076580004.db2.gz GVJVKEDSAINGLS-UWVGGRQHSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@H]1C[C@@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001590191654 1076580008 /nfs/dbraw/zinc/58/00/08/1076580008.db2.gz GVJVKEDSAINGLS-UWVGGRQHSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@@H](C)O1 ZINC001590192763 1076580941 /nfs/dbraw/zinc/58/09/41/1076580941.db2.gz FQZUZAXFNBOJQO-PRJMDXOYSA-N -1 1 324.366 2.062 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@@H](C)O1 ZINC001590192763 1076580945 /nfs/dbraw/zinc/58/09/45/1076580945.db2.gz FQZUZAXFNBOJQO-PRJMDXOYSA-N -1 1 324.366 2.062 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@H](C)O1 ZINC001590193748 1076581642 /nfs/dbraw/zinc/58/16/42/1076581642.db2.gz TUIDRVWRUPSFEN-UTLUCORTSA-N -1 1 318.337 2.000 20 5 DEBDMM C[C@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H]1C ZINC001590259752 1076603820 /nfs/dbraw/zinc/60/38/20/1076603820.db2.gz AELIRGCIJWPLMZ-YUMQZZPRSA-N -1 1 308.367 2.461 20 5 DEBDMM C[C@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H]1C ZINC001590259752 1076603821 /nfs/dbraw/zinc/60/38/21/1076603821.db2.gz AELIRGCIJWPLMZ-YUMQZZPRSA-N -1 1 308.367 2.461 20 5 DEBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H]1F ZINC001590275932 1076605545 /nfs/dbraw/zinc/60/55/45/1076605545.db2.gz HKBYBVFRCVJVJZ-RNFRBKRXSA-N -1 1 312.330 2.021 20 5 DEBDMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H]1F ZINC001590275932 1076605546 /nfs/dbraw/zinc/60/55/46/1076605546.db2.gz HKBYBVFRCVJVJZ-RNFRBKRXSA-N -1 1 312.330 2.021 20 5 DEBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H](C)S1 ZINC001590315956 1076610397 /nfs/dbraw/zinc/61/03/97/1076610397.db2.gz OJOJLZHXXWIFSF-RKDXNWHRSA-N -1 1 320.378 2.105 20 5 DEBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H](C)S1 ZINC001590315956 1076610398 /nfs/dbraw/zinc/61/03/98/1076610398.db2.gz OJOJLZHXXWIFSF-RKDXNWHRSA-N -1 1 320.378 2.105 20 5 DEBDMM CO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1(C)C ZINC001591350758 1076731817 /nfs/dbraw/zinc/73/18/17/1076731817.db2.gz VTPMNKRKFGNZSC-NEPJUHHUSA-N -1 1 318.337 2.000 20 5 DEBDMM CO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1(C)C ZINC001591350758 1076731819 /nfs/dbraw/zinc/73/18/19/1076731819.db2.gz VTPMNKRKFGNZSC-NEPJUHHUSA-N -1 1 318.337 2.000 20 5 DEBDMM Cc1cc(N[C@@H]2C[C@H](C)O[C@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592036513 1076835778 /nfs/dbraw/zinc/83/57/78/1076835778.db2.gz VROBRXZRQMFEQU-HOTUBEGUSA-N -1 1 318.337 2.061 20 5 DEBDMM Cc1cc(N[C@@H]2C[C@H](C)O[C@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592036513 1076835782 /nfs/dbraw/zinc/83/57/82/1076835782.db2.gz VROBRXZRQMFEQU-HOTUBEGUSA-N -1 1 318.337 2.061 20 5 DEBDMM Cc1ccc(CSc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC001592169182 1076866235 /nfs/dbraw/zinc/86/62/35/1076866235.db2.gz PMSMNKWXLLBWBQ-UHFFFAOYSA-N -1 1 318.318 2.364 20 5 DEBDMM Cc1cc([N+](=O)[O-])ccc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC001600304900 1077178199 /nfs/dbraw/zinc/17/81/99/1077178199.db2.gz UELJQCTXJUNWRP-ZDUSSCGKSA-N -1 1 310.375 2.295 20 5 DEBDMM Cn1nc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1C1CC1 ZINC001608151235 1077599591 /nfs/dbraw/zinc/59/95/91/1077599591.db2.gz HPHHQXSOWZZDBE-UHFFFAOYSA-N -1 1 303.278 2.043 20 5 DEBDMM CC(C)(C)C1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609075042 1077754915 /nfs/dbraw/zinc/75/49/15/1077754915.db2.gz MYTHZIBUUIWGHE-UHFFFAOYSA-N -1 1 302.338 2.257 20 5 DEBDMM CC(C)(C)C1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609075042 1077754916 /nfs/dbraw/zinc/75/49/16/1077754916.db2.gz MYTHZIBUUIWGHE-UHFFFAOYSA-N -1 1 302.338 2.257 20 5 DEBDMM CC1=C[C@H](C)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609151142 1077774911 /nfs/dbraw/zinc/77/49/11/1077774911.db2.gz CKJKTXGTXHTMKJ-VIFPVBQESA-N -1 1 300.322 2.177 20 5 DEBDMM CC1=C[C@H](C)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609151142 1077774913 /nfs/dbraw/zinc/77/49/13/1077774913.db2.gz CKJKTXGTXHTMKJ-VIFPVBQESA-N -1 1 300.322 2.177 20 5 DEBDMM C[C@@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001609156063 1077776574 /nfs/dbraw/zinc/77/65/74/1077776574.db2.gz BJONOMVSXZIIPI-NXEZZACHSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001609156063 1077776580 /nfs/dbraw/zinc/77/65/80/1077776580.db2.gz BJONOMVSXZIIPI-NXEZZACHSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@H]1CCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609163750 1077780050 /nfs/dbraw/zinc/78/00/50/1077780050.db2.gz FMELHUGTGURSGU-DTWKUNHWSA-N -1 1 317.353 2.205 20 5 DEBDMM C[C@H]1CCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609163750 1077780055 /nfs/dbraw/zinc/78/00/55/1077780055.db2.gz FMELHUGTGURSGU-DTWKUNHWSA-N -1 1 317.353 2.205 20 5 DEBDMM C[C@H]1OCC[C@@H]1Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609179424 1077787212 /nfs/dbraw/zinc/78/72/12/1077787212.db2.gz RGCLUTPYOJPNTQ-APPZFPTMSA-N -1 1 307.335 2.044 20 5 DEBDMM C[C@H]1OCC[C@@H]1Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609179424 1077787213 /nfs/dbraw/zinc/78/72/13/1077787213.db2.gz RGCLUTPYOJPNTQ-APPZFPTMSA-N -1 1 307.335 2.044 20 5 DEBDMM Cc1cc(C[C@@H](C)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])[nH]n1 ZINC001610436788 1078019953 /nfs/dbraw/zinc/01/99/53/1078019953.db2.gz CUOYPAAPJWEYMA-SSDOTTSWSA-N -1 1 319.321 2.071 20 5 DEBDMM Cc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001664738840 1080952022 /nfs/dbraw/zinc/95/20/22/1080952022.db2.gz FVSKBCCUQXFCAZ-LLVKDONJSA-N -1 1 321.358 2.338 20 5 DEBDMM COc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cc1F ZINC001212893023 1087755889 /nfs/dbraw/zinc/75/58/89/1087755889.db2.gz IXOQBZZVIAJXBD-UHFFFAOYSA-N -1 1 305.225 2.183 20 5 DEBDMM COc1cccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1F ZINC001212893136 1087756651 /nfs/dbraw/zinc/75/66/51/1087756651.db2.gz NUXKQQZBWDFYSB-UHFFFAOYSA-N -1 1 305.225 2.183 20 5 DEBDMM COCc1cccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1 ZINC001212893092 1087756968 /nfs/dbraw/zinc/75/69/68/1087756968.db2.gz LYOWNZIUJQPURE-UHFFFAOYSA-N -1 1 301.262 2.181 20 5 DEBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nncs2)cc1OC ZINC000054194993 354455864 /nfs/dbraw/zinc/45/58/64/354455864.db2.gz KZJIXQJHSGJGLB-UHFFFAOYSA-N -1 1 324.318 2.106 20 5 DEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2cc[nH]n2)CC1 ZINC000092810651 355651562 /nfs/dbraw/zinc/65/15/62/355651562.db2.gz PMDOWSHDWNUXDU-UHFFFAOYSA-N -1 1 302.334 2.403 20 5 DEBDMM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618379915 363477307 /nfs/dbraw/zinc/47/73/07/363477307.db2.gz XUKIWWPJRZBJFG-CJNGLKHVSA-N -1 1 313.313 2.155 20 5 DEBDMM CC[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000581173182 357141657 /nfs/dbraw/zinc/14/16/57/357141657.db2.gz YQZWOSHWKXCIMA-MNOVXSKESA-N -1 1 313.379 2.094 20 5 DEBDMM CCCC[C@@H](C(=O)[O-])N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000584849882 357321956 /nfs/dbraw/zinc/32/19/56/357321956.db2.gz MHYMUVCVXMPMMP-ZDUSSCGKSA-N -1 1 308.334 2.433 20 5 DEBDMM CCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000593735395 358133733 /nfs/dbraw/zinc/13/37/33/358133733.db2.gz LUQWHOIECKUZCD-ZDUSSCGKSA-N -1 1 308.334 2.294 20 5 DEBDMM CCS[C@H]1CCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187165861 200071299 /nfs/dbraw/zinc/07/12/99/200071299.db2.gz CRSACKUNRFANTE-ONGXEEELSA-N -1 1 311.363 2.099 20 5 DEBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1(F)F ZINC000600183372 359678817 /nfs/dbraw/zinc/67/88/17/359678817.db2.gz KZZHHHPTMNKHDH-HTQZYQBOSA-N -1 1 315.276 2.059 20 5 DEBDMM O=C(N[C@@H]1CSc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445005032 238387143 /nfs/dbraw/zinc/38/71/43/238387143.db2.gz KHPYYYDRJKRLMP-SNVBAGLBSA-N -1 1 317.326 2.272 20 5 DEBDMM CCCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000159941982 197374810 /nfs/dbraw/zinc/37/48/10/197374810.db2.gz FEKDVKLHJCUKLG-UHFFFAOYSA-N -1 1 324.362 2.461 20 5 DEBDMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000185694384 207367629 /nfs/dbraw/zinc/36/76/29/207367629.db2.gz GJAOTMXMHLZYPX-UHFFFAOYSA-N -1 1 319.292 2.500 20 5 DEBDMM O=C(NC[C@H]1CCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000111632676 401719199 /nfs/dbraw/zinc/71/91/99/401719199.db2.gz CHGFZWBSPZZUGD-LLVKDONJSA-N -1 1 313.313 2.155 20 5 DEBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000185658718 402367790 /nfs/dbraw/zinc/36/77/90/402367790.db2.gz XRRJHAOOBDONFZ-UHFFFAOYSA-N -1 1 321.358 2.465 20 5 DEBDMM CCOc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186950653 402472929 /nfs/dbraw/zinc/47/29/29/402472929.db2.gz PEEYBVMRYJGTLX-UHFFFAOYSA-N -1 1 317.301 2.024 20 5 DEBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C)s1 ZINC000279835735 402963080 /nfs/dbraw/zinc/96/30/80/402963080.db2.gz ZJPHSFQPCACRDB-UHFFFAOYSA-N -1 1 308.319 2.406 20 5 DEBDMM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000270741889 403219573 /nfs/dbraw/zinc/21/95/73/403219573.db2.gz CKNJWVNEPWKMBW-SKDRFNHKSA-N -1 1 323.349 2.019 20 5 DEBDMM COC(=O)[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C(C)C ZINC000339209388 403374601 /nfs/dbraw/zinc/37/46/01/403374601.db2.gz ONPRZSKSFGNHKI-UKRRQHHQSA-N -1 1 322.361 2.320 20 5 DEBDMM C[C@@H](CN(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000566861064 292273473 /nfs/dbraw/zinc/27/34/73/292273473.db2.gz YLPSQIIDWZOYKY-JTQLQIEISA-N -1 1 319.317 2.402 20 5 DEBDMM COCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000347213909 403624320 /nfs/dbraw/zinc/62/43/20/403624320.db2.gz RLBXAIDTZGTUDC-UHFFFAOYSA-N -1 1 305.290 2.200 20 5 DEBDMM CC(C)(C)C1CCN(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000295436997 403924079 /nfs/dbraw/zinc/92/40/79/403924079.db2.gz OKSHJCLEDWMZCW-UHFFFAOYSA-N -1 1 322.365 2.098 20 5 DEBDMM CC[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC(F)(F)F ZINC000412629310 404376437 /nfs/dbraw/zinc/37/64/37/404376437.db2.gz KBWJZSZATDVUGF-ZETCQYMHSA-N -1 1 321.255 2.404 20 5 DEBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000438250924 405239717 /nfs/dbraw/zinc/23/97/17/405239717.db2.gz UQQINLIGFIHGCW-UHFFFAOYSA-N -1 1 324.362 2.298 20 5 DEBDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000339174319 521573646 /nfs/dbraw/zinc/57/36/46/521573646.db2.gz TXUIDJZVLXQHRA-UHFFFAOYSA-N -1 1 318.289 2.055 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Cl)nc1 ZINC000823629802 607305725 /nfs/dbraw/zinc/30/57/25/607305725.db2.gz HMRZNKNJYUMDPI-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(Cl)nc1 ZINC000823629802 607305726 /nfs/dbraw/zinc/30/57/26/607305726.db2.gz HMRZNKNJYUMDPI-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM CN(C(=O)[O-])c1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000827914498 603038366 /nfs/dbraw/zinc/03/83/66/603038366.db2.gz WTIFOCHMAGUESU-UHFFFAOYSA-N -1 1 305.246 2.256 20 5 DEBDMM CN(Cc1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)[O-])CC1 ZINC000828360500 603621904 /nfs/dbraw/zinc/62/19/04/603621904.db2.gz YOBLVWLCNKMAOX-UHFFFAOYSA-N -1 1 311.313 2.308 20 5 DEBDMM C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000833812366 605597065 /nfs/dbraw/zinc/59/70/65/605597065.db2.gz IYHVNRSNZGCHBT-WDEREUQCSA-N -1 1 323.349 2.169 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cc(F)cc(F)c1 ZINC000823630298 606706055 /nfs/dbraw/zinc/70/60/55/606706055.db2.gz WIYACGHBTLCWNS-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cc(F)cc(F)c1 ZINC000823630298 606706053 /nfs/dbraw/zinc/70/60/53/606706053.db2.gz WIYACGHBTLCWNS-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM O=C([N-]c1nc2n(n1)CCCC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000837195584 650174149 /nfs/dbraw/zinc/17/41/49/650174149.db2.gz RSFGJNOFXOLKAN-UHFFFAOYSA-N -1 1 321.724 2.428 20 5 DEBDMM CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)SC ZINC000743754963 638170637 /nfs/dbraw/zinc/17/06/37/638170637.db2.gz YHUHSRGWLJFMBZ-UHFFFAOYSA-N -1 1 313.379 2.347 20 5 DEBDMM O=C([O-])C1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000263464568 640240990 /nfs/dbraw/zinc/24/09/90/640240990.db2.gz CKHIHHVBXULGTO-UHFFFAOYSA-N -1 1 302.286 2.371 20 5 DEBDMM O=C(OCc1nnsc1Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045293 641161298 /nfs/dbraw/zinc/16/12/98/641161298.db2.gz FUXMJIGEMQHBNZ-UHFFFAOYSA-N -1 1 315.694 2.162 20 5 DEBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccn1 ZINC000770512164 641379397 /nfs/dbraw/zinc/37/93/97/641379397.db2.gz JJOLENNOYVUWRU-ZDUSSCGKSA-N -1 1 316.317 2.218 20 5 DEBDMM CC(C)c1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)no1 ZINC000780073046 642581921 /nfs/dbraw/zinc/58/19/21/642581921.db2.gz XLQIVSBRIHKAAG-UHFFFAOYSA-N -1 1 307.262 2.164 20 5 DEBDMM O=C([O-])CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000901970652 642853324 /nfs/dbraw/zinc/85/33/24/642853324.db2.gz CSJAZCMQYUEHBL-UHFFFAOYSA-N -1 1 316.260 2.245 20 5 DEBDMM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809808555 646286878 /nfs/dbraw/zinc/28/68/78/646286878.db2.gz XXEAZZZHJURWEE-RQJHMYQMSA-N -1 1 322.745 2.322 20 5 DEBDMM CCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000918009684 648046475 /nfs/dbraw/zinc/04/64/75/648046475.db2.gz MFUIXZMBIDDVKN-UHFFFAOYSA-N -1 1 316.317 2.315 20 5 DEBDMM CN(CC1CCCCC1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821596301 648085337 /nfs/dbraw/zinc/08/53/37/648085337.db2.gz GIHLOIMYMBGTTM-UHFFFAOYSA-N -1 1 317.353 2.186 20 5 DEBDMM CN(CC1CCCCC1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821596301 648085343 /nfs/dbraw/zinc/08/53/43/648085343.db2.gz GIHLOIMYMBGTTM-UHFFFAOYSA-N -1 1 317.353 2.186 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc[nH]1 ZINC000081183562 649255133 /nfs/dbraw/zinc/25/51/33/649255133.db2.gz VEELQNCAYMFJCK-UHFFFAOYSA-N -1 1 315.738 2.055 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]OC2CCOCC2)c1F ZINC000832390111 649704723 /nfs/dbraw/zinc/70/47/23/649704723.db2.gz OJUSRBSWBWCCCQ-UHFFFAOYSA-N -1 1 316.260 2.022 20 5 DEBDMM CCc1cc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])n[nH]1 ZINC000844211093 651093457 /nfs/dbraw/zinc/09/34/57/651093457.db2.gz GQVJFNKCONHNNN-UHFFFAOYSA-N -1 1 304.306 2.499 20 5 DEBDMM CCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1nn[n-]n1 ZINC000859944941 685859637 /nfs/dbraw/zinc/85/96/37/685859637.db2.gz HJCHGOXYMILBKS-QMMMGPOBSA-N -1 1 324.728 2.033 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C2CC2)cc1F ZINC000866421856 687567594 /nfs/dbraw/zinc/56/75/94/687567594.db2.gz CISYPEIVZKGQKD-QMMMGPOBSA-N -1 1 302.327 2.119 20 5 DEBDMM NC(=O)c1ncc(Cl)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392865 801389111 /nfs/dbraw/zinc/38/91/11/801389111.db2.gz KMQPVUYLSJSZRA-UHFFFAOYSA-N -1 1 308.681 2.191 20 5 DEBDMM COC(=O)[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001225667443 802999042 /nfs/dbraw/zinc/99/90/42/802999042.db2.gz SVOJPNMASFLUOY-LBPRGKRZSA-N -1 1 322.248 2.128 20 5 DEBDMM COC(=O)[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC001225667443 802999047 /nfs/dbraw/zinc/99/90/47/802999047.db2.gz SVOJPNMASFLUOY-LBPRGKRZSA-N -1 1 322.248 2.128 20 5 DEBDMM CC(C)[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001225666681 802999527 /nfs/dbraw/zinc/99/95/27/802999527.db2.gz KWBHCGVGZUUNDX-NSHDSACASA-N -1 1 312.322 2.441 20 5 DEBDMM CC(C)[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001225666681 802999534 /nfs/dbraw/zinc/99/95/34/802999534.db2.gz KWBHCGVGZUUNDX-NSHDSACASA-N -1 1 312.322 2.441 20 5 DEBDMM CSc1nc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc(=O)[n-]1 ZINC001228090080 803317977 /nfs/dbraw/zinc/31/79/77/803317977.db2.gz HZWBZVBMQGNNEH-LLVKDONJSA-N -1 1 319.342 2.359 20 5 DEBDMM O=c1[n-]cnc(O[C@H]2C[C@H](OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228142159 803325061 /nfs/dbraw/zinc/32/50/61/803325061.db2.gz ZLACFVRGWTVSCO-HAQNSBGRSA-N -1 1 317.301 2.217 20 5 DEBDMM C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001589355286 954127682 /nfs/dbraw/zinc/12/76/82/954127682.db2.gz PCKCFTCVHJOWDC-JOYOIKCWSA-N -1 1 323.305 2.046 20 5 DEBDMM CC1=C[C@@H](C)CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001594109372 998191556 /nfs/dbraw/zinc/19/15/56/998191556.db2.gz FLBPYEVPZCVADY-LLVKDONJSA-N -1 1 320.345 2.456 20 5 DEBDMM C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001603553109 1069985960 /nfs/dbraw/zinc/98/59/60/1069985960.db2.gz NCGAXQRKVSSATI-QMMMGPOBSA-N -1 1 319.369 2.451 20 5 DEBDMM C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001603553109 1069985976 /nfs/dbraw/zinc/98/59/76/1069985976.db2.gz NCGAXQRKVSSATI-QMMMGPOBSA-N -1 1 319.369 2.451 20 5 DEBDMM CC1(C)C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001603765774 1070087272 /nfs/dbraw/zinc/08/72/72/1070087272.db2.gz XMSKLTVZXUIXHZ-JTQLQIEISA-N -1 1 318.337 2.144 20 5 DEBDMM C[C@@H]1SCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603955629 1070157993 /nfs/dbraw/zinc/15/79/93/1070157993.db2.gz KXAHRYYIOFMIEN-XVKPBYJWSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@@H]1SCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603955629 1070157999 /nfs/dbraw/zinc/15/79/99/1070157999.db2.gz KXAHRYYIOFMIEN-XVKPBYJWSA-N -1 1 306.351 2.081 20 5 DEBDMM CC[C@]1(C)CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001604083771 1070203117 /nfs/dbraw/zinc/20/31/17/1070203117.db2.gz KKAQQKCXUQCQAY-CQSZACIVSA-N -1 1 302.338 2.401 20 5 DEBDMM CC[C@]1(C)CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001604083771 1070203121 /nfs/dbraw/zinc/20/31/21/1070203121.db2.gz KKAQQKCXUQCQAY-CQSZACIVSA-N -1 1 302.338 2.401 20 5 DEBDMM O=[N+]([O-])c1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001607078919 1071288828 /nfs/dbraw/zinc/28/88/28/1071288828.db2.gz BVGOOSLSAVAGGK-OPRDCNLKSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1ccc(NCCC(F)(F)F)cc1-c1nnn[n-]1 ZINC001607082351 1071290337 /nfs/dbraw/zinc/29/03/37/1071290337.db2.gz PEYDNDUZTHOYRR-UHFFFAOYSA-N -1 1 302.216 2.139 20 5 DEBDMM O=[N+]([O-])c1ccc(NCCC(F)(F)F)cc1-c1nn[n-]n1 ZINC001607082351 1071290344 /nfs/dbraw/zinc/29/03/44/1071290344.db2.gz PEYDNDUZTHOYRR-UHFFFAOYSA-N -1 1 302.216 2.139 20 5 DEBDMM Cc1ccc(OS(=O)(=O)c2c[n-]nc2Cl)cc1[N+](=O)[O-] ZINC001463350896 1058957366 /nfs/dbraw/zinc/95/73/66/1058957366.db2.gz XWSPNEWBENQKRD-UHFFFAOYSA-N -1 1 317.710 2.047 20 5 DEBDMM COc1c(C(=O)[N-]c2nc(C3CC3)no2)cccc1[N+](=O)[O-] ZINC001533725834 1071896916 /nfs/dbraw/zinc/89/69/16/1071896916.db2.gz MMTIIVKOBMACSA-UHFFFAOYSA-N -1 1 304.262 2.116 20 5 DEBDMM C[C@@H]1CC(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC001469956118 1060030995 /nfs/dbraw/zinc/03/09/95/1060030995.db2.gz YYFJAPCFYPJGTR-UWVGGRQHSA-N -1 1 307.350 2.498 20 5 DEBDMM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001626858982 1078264919 /nfs/dbraw/zinc/26/49/19/1078264919.db2.gz XMRRMXNXTOPSNA-UHFFFAOYSA-N -1 1 309.228 2.413 20 5 DEBDMM C[C@@H](C[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589803883 1076517764 /nfs/dbraw/zinc/51/77/64/1076517764.db2.gz VGDGTQSYLRZATF-VHSXEESVSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@H](C[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589803883 1076517766 /nfs/dbraw/zinc/51/77/66/1076517766.db2.gz VGDGTQSYLRZATF-VHSXEESVSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC(F)F ZINC001589877170 1076522975 /nfs/dbraw/zinc/52/29/75/1076522975.db2.gz OTNYLKBMRQKNLD-SSDOTTSWSA-N -1 1 312.280 2.478 20 5 DEBDMM C[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC(F)F ZINC001589877170 1076522980 /nfs/dbraw/zinc/52/29/80/1076522980.db2.gz OTNYLKBMRQKNLD-SSDOTTSWSA-N -1 1 312.280 2.478 20 5 DEBDMM CC1(C)CC(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590080551 1076558263 /nfs/dbraw/zinc/55/82/63/1076558263.db2.gz NJUVEWVVGIIAOE-UHFFFAOYSA-N -1 1 317.353 2.205 20 5 DEBDMM CC1(C)CC(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590080551 1076558269 /nfs/dbraw/zinc/55/82/69/1076558269.db2.gz NJUVEWVVGIIAOE-UHFFFAOYSA-N -1 1 317.353 2.205 20 5 DEBDMM C[C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)O1 ZINC001590241725 1076595411 /nfs/dbraw/zinc/59/54/11/1076595411.db2.gz IQCIVSRJQJPSLM-MWLCHTKSSA-N -1 1 318.337 2.144 20 5 DEBDMM C[C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)O1 ZINC001590241725 1076595413 /nfs/dbraw/zinc/59/54/13/1076595413.db2.gz IQCIVSRJQJPSLM-MWLCHTKSSA-N -1 1 318.337 2.144 20 5 DEBDMM Cc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nnn[n-]2)o1 ZINC001592197792 1076872992 /nfs/dbraw/zinc/87/29/92/1076872992.db2.gz QYTDVLQVVZJOEP-UHFFFAOYSA-N -1 1 301.262 2.255 20 5 DEBDMM Cc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nn[n-]n2)o1 ZINC001592197792 1076872996 /nfs/dbraw/zinc/87/29/96/1076872996.db2.gz QYTDVLQVVZJOEP-UHFFFAOYSA-N -1 1 301.262 2.255 20 5 DEBDMM O=[N+]([O-])c1c(NC[C@H]2CCCSC2)cccc1-c1nnn[n-]1 ZINC001593465311 1077004330 /nfs/dbraw/zinc/00/43/30/1077004330.db2.gz MPUCMBXFYLRPRK-SECBINFHSA-N -1 1 320.378 2.330 20 5 DEBDMM O=[N+]([O-])c1c(NC[C@H]2CCCSC2)cccc1-c1nn[n-]n1 ZINC001593465311 1077004334 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C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228973135 803437485 /nfs/dbraw/zinc/43/74/85/803437485.db2.gz GFPQPMLAVUYYSE-RTUWITSCSA-N -1 1 308.334 2.115 20 5 DEBDMM C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228973135 803437489 /nfs/dbraw/zinc/43/74/89/803437489.db2.gz GFPQPMLAVUYYSE-RTUWITSCSA-N -1 1 308.334 2.115 20 5 DEBDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001589308156 953763104 /nfs/dbraw/zinc/76/31/04/953763104.db2.gz ITGXRUJTNWMBDC-ZJUUUORDSA-N -1 1 318.333 2.156 20 5 DEBDMM O=C([O-])CCC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC001606131791 973378637 /nfs/dbraw/zinc/37/86/37/973378637.db2.gz VGOLCDQDCWSZKZ-UHFFFAOYSA-N -1 1 322.317 2.017 20 5 DEBDMM Cc1cc(N2CC(C)=C[C@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603827107 1070114630 /nfs/dbraw/zinc/11/46/30/1070114630.db2.gz KIERTSTWCLBENG-VIFPVBQESA-N -1 1 314.349 2.486 20 5 DEBDMM Cc1cc(N2CC(C)=C[C@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603827107 1070114635 /nfs/dbraw/zinc/11/46/35/1070114635.db2.gz KIERTSTWCLBENG-VIFPVBQESA-N -1 1 314.349 2.486 20 5 DEBDMM C[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CS1 ZINC001603862860 1070125260 /nfs/dbraw/zinc/12/52/60/1070125260.db2.gz PKFHRWDKLSJREX-JGVFFNPUSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CS1 ZINC001603862860 1070125264 /nfs/dbraw/zinc/12/52/64/1070125264.db2.gz PKFHRWDKLSJREX-JGVFFNPUSA-N -1 1 306.351 2.081 20 5 DEBDMM CO[C@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001605028444 1070581813 /nfs/dbraw/zinc/58/18/13/1070581813.db2.gz DWULVWKIVFYUBD-ONGXEEELSA-N -1 1 318.337 2.063 20 5 DEBDMM CO[C@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001605028444 1070581818 /nfs/dbraw/zinc/58/18/18/1070581818.db2.gz DWULVWKIVFYUBD-ONGXEEELSA-N -1 1 318.337 2.063 20 5 DEBDMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC001528616724 1070709643 /nfs/dbraw/zinc/70/96/43/1070709643.db2.gz BKCSQRXWVFWXOZ-UHFFFAOYSA-N -1 1 314.301 2.222 20 5 DEBDMM Cc1cc(N2CC[C@H](C)[C@@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605694527 1070843521 /nfs/dbraw/zinc/84/35/21/1070843521.db2.gz OZVQXWFVVCLOBG-WPRPVWTQSA-N -1 1 302.338 2.318 20 5 DEBDMM Cc1cc(N2CC[C@H](C)[C@@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605694527 1070843556 /nfs/dbraw/zinc/84/35/56/1070843556.db2.gz OZVQXWFVVCLOBG-WPRPVWTQSA-N -1 1 302.338 2.318 20 5 DEBDMM O=[N+]([O-])c1cc(N[C@@H]2CCC(F)(F)C2)ccc1-c1nn[n-]n1 ZINC001607080308 1071290526 /nfs/dbraw/zinc/29/05/26/1071290526.db2.gz TWVPFPPFZRXTPH-MRVPVSSYSA-N -1 1 310.264 2.375 20 5 DEBDMM O=[N+]([O-])c1ccc(NCC[C@H]2CCSC2)cc1-c1nnn[n-]1 ZINC001607082869 1071290599 /nfs/dbraw/zinc/29/05/99/1071290599.db2.gz VKXIJPOSPSAEAW-VIFPVBQESA-N -1 1 320.378 2.330 20 5 DEBDMM O=[N+]([O-])c1ccc(NCC[C@H]2CCSC2)cc1-c1nn[n-]n1 ZINC001607082869 1071290610 /nfs/dbraw/zinc/29/06/10/1071290610.db2.gz VKXIJPOSPSAEAW-VIFPVBQESA-N -1 1 320.378 2.330 20 5 DEBDMM Cc1[nH]ncc1CN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001607669815 1071520422 /nfs/dbraw/zinc/52/04/22/1071520422.db2.gz UJTHZPQFSDZXLG-UHFFFAOYSA-N -1 1 304.306 2.269 20 5 DEBDMM O=C(Nc1cc([O-])c(F)cc1F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001450893045 1056576225 /nfs/dbraw/zinc/57/62/25/1056576225.db2.gz DWTQBZNPBUZTBF-UHFFFAOYSA-N -1 1 318.623 2.207 20 5 DEBDMM COc1nscc1[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC001455356407 1057701251 /nfs/dbraw/zinc/70/12/51/1057701251.db2.gz VQPKDERHNOLEBY-UHFFFAOYSA-N -1 1 309.303 2.321 20 5 DEBDMM CSc1nc(CNc2cc(C)c([N+](=O)[O-])cn2)cc(=O)[n-]1 ZINC001472818561 1060587821 /nfs/dbraw/zinc/58/78/21/1060587821.db2.gz PKNTWXDLOPBABY-UHFFFAOYSA-N -1 1 307.335 2.128 20 5 DEBDMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001624547473 1078224608 /nfs/dbraw/zinc/22/46/08/1078224608.db2.gz ZLAMQSQBELTFGL-CLAHSXSESA-N -1 1 316.317 2.328 20 5 DEBDMM CCN(CCC1CC1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001577911013 1066950693 /nfs/dbraw/zinc/95/06/93/1066950693.db2.gz ALCSISLWCDDEJZ-UHFFFAOYSA-N -1 1 308.367 2.463 20 5 DEBDMM CCN(CCC1CC1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001577911013 1066950699 /nfs/dbraw/zinc/95/06/99/1066950699.db2.gz ALCSISLWCDDEJZ-UHFFFAOYSA-N -1 1 308.367 2.463 20 5 DEBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(F)c([O-])c1 ZINC001637127596 1078505498 /nfs/dbraw/zinc/50/54/98/1078505498.db2.gz YTGJSFPVVRIUSH-UHFFFAOYSA-N -1 1 320.276 2.378 20 5 DEBDMM COC(=O)[C@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC001637934840 1078541408 /nfs/dbraw/zinc/54/14/08/1078541408.db2.gz ZYQAAUABRKUMTO-SECBINFHSA-N -1 1 317.301 2.452 20 5 DEBDMM COc1nnc([N-]C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])s1 ZINC001642062294 1078741277 /nfs/dbraw/zinc/74/12/77/1078741277.db2.gz RQMAOKGSFSRXKA-UHFFFAOYSA-N -1 1 312.282 2.155 20 5 DEBDMM O=C(Nc1nc2c(s1)CCCC2=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001649021500 1079035839 /nfs/dbraw/zinc/03/58/39/1079035839.db2.gz CVUWZHPOLWQUDP-UHFFFAOYSA-N -1 1 306.303 2.151 20 5 DEBDMM O=C(NCc1cccc2ncccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001558251023 1075086295 /nfs/dbraw/zinc/08/62/95/1075086295.db2.gz DFGSPBVGBQXWRA-UHFFFAOYSA-N -1 1 324.296 2.174 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C=CCC1 ZINC001561872992 1075156240 /nfs/dbraw/zinc/15/62/40/1075156240.db2.gz NJPGSUFOFQBMOM-SECBINFHSA-N -1 1 316.766 2.493 20 5 DEBDMM CC(C)CN(c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CC1 ZINC001589628754 1076502854 /nfs/dbraw/zinc/50/28/54/1076502854.db2.gz KWNUBGPHICUCJU-UHFFFAOYSA-N -1 1 302.338 2.400 20 5 DEBDMM C[C@@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1(F)F ZINC001590134160 1076570670 /nfs/dbraw/zinc/57/06/70/1076570670.db2.gz PGQPSLVKINJYGZ-VIFPVBQESA-N -1 1 316.293 2.294 20 5 DEBDMM C[C@@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1(F)F ZINC001590134160 1076570672 /nfs/dbraw/zinc/57/06/72/1076570672.db2.gz PGQPSLVKINJYGZ-VIFPVBQESA-N -1 1 316.293 2.294 20 5 DEBDMM CC1(F)CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001590141450 1076572846 /nfs/dbraw/zinc/57/28/46/1076572846.db2.gz JDOXGXGZUWBPPL-UHFFFAOYSA-N -1 1 312.330 2.165 20 5 DEBDMM CC1(F)CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001590141450 1076572850 /nfs/dbraw/zinc/57/28/50/1076572850.db2.gz JDOXGXGZUWBPPL-UHFFFAOYSA-N -1 1 312.330 2.165 20 5 DEBDMM CC[C@H](C)CCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590410177 1076623315 /nfs/dbraw/zinc/62/33/15/1076623315.db2.gz JRMQVWOVWCZNMS-QMMMGPOBSA-N -1 1 305.342 2.205 20 5 DEBDMM CC[C@H](C)CCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590410177 1076623317 /nfs/dbraw/zinc/62/33/17/1076623317.db2.gz JRMQVWOVWCZNMS-QMMMGPOBSA-N -1 1 305.342 2.205 20 5 DEBDMM CCC(CC)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590434496 1076627742 /nfs/dbraw/zinc/62/77/42/1076627742.db2.gz RLYZAYZALRVHKU-UHFFFAOYSA-N -1 1 305.342 2.205 20 5 DEBDMM CCC(CC)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590434496 1076627743 /nfs/dbraw/zinc/62/77/43/1076627743.db2.gz RLYZAYZALRVHKU-UHFFFAOYSA-N -1 1 305.342 2.205 20 5 DEBDMM CCC[C@@](C)(O)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590543577 1076650141 /nfs/dbraw/zinc/65/01/41/1076650141.db2.gz OMJOMHJOCRAVNJ-CQSZACIVSA-N -1 1 320.353 2.046 20 5 DEBDMM CCC[C@@](C)(O)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590543577 1076650142 /nfs/dbraw/zinc/65/01/42/1076650142.db2.gz OMJOMHJOCRAVNJ-CQSZACIVSA-N -1 1 320.353 2.046 20 5 DEBDMM CN(CCC(F)(F)F)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591064326 1076707051 /nfs/dbraw/zinc/70/70/51/1076707051.db2.gz GQFHFAXCZKBVLR-UHFFFAOYSA-N -1 1 322.272 2.225 20 5 DEBDMM CN(CCC(F)(F)F)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591064326 1076707054 /nfs/dbraw/zinc/70/70/54/1076707054.db2.gz GQFHFAXCZKBVLR-UHFFFAOYSA-N -1 1 322.272 2.225 20 5 DEBDMM Cc1cc(N2[C@@H](C)CC[C@@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591999621 1076829470 /nfs/dbraw/zinc/82/94/70/1076829470.db2.gz RAJJOENEFLXHAU-UWVGGRQHSA-N -1 1 302.338 2.461 20 5 DEBDMM Cc1cc(N2[C@@H](C)CC[C@@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591999621 1076829474 /nfs/dbraw/zinc/82/94/74/1076829474.db2.gz RAJJOENEFLXHAU-UWVGGRQHSA-N -1 1 302.338 2.461 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@@]2(CC2(F)F)C1 ZINC001593466935 1077005883 /nfs/dbraw/zinc/00/58/83/1077005883.db2.gz QCXBDLPTMGTFJZ-GFCCVEGCSA-N -1 1 322.275 2.010 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@@]2(CC2(F)F)C1 ZINC001593466935 1077005888 /nfs/dbraw/zinc/00/58/88/1077005888.db2.gz QCXBDLPTMGTFJZ-GFCCVEGCSA-N -1 1 322.275 2.010 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2C2CCC2)cccc1-c1nnn[n-]1 ZINC001593469635 1077006990 /nfs/dbraw/zinc/00/69/90/1077006990.db2.gz ZBCNIVIQYJBNET-CMPLNLGQSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2C2CCC2)cccc1-c1nn[n-]n1 ZINC001593469635 1077006992 /nfs/dbraw/zinc/00/69/92/1077006992.db2.gz ZBCNIVIQYJBNET-CMPLNLGQSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1ccc(N[C@H]2CCC(F)(F)C2)cc1-c1nnn[n-]1 ZINC001593477956 1077008939 /nfs/dbraw/zinc/00/89/39/1077008939.db2.gz MAPOSHHEGDOLKR-QMMMGPOBSA-N -1 1 310.264 2.375 20 5 DEBDMM O=[N+]([O-])c1ccc(N[C@H]2CCC(F)(F)C2)cc1-c1nn[n-]n1 ZINC001593477956 1077008944 /nfs/dbraw/zinc/00/89/44/1077008944.db2.gz MAPOSHHEGDOLKR-QMMMGPOBSA-N -1 1 310.264 2.375 20 5 DEBDMM O=[N+]([O-])c1ccc(Oc2cccnc2-c2nnn[n-]2)c(F)c1 ZINC001593481808 1077009641 /nfs/dbraw/zinc/00/96/41/1077009641.db2.gz KBIRBZBLVQGLJA-UHFFFAOYSA-N -1 1 302.225 2.101 20 5 DEBDMM O=[N+]([O-])c1ccc(Oc2cccnc2-c2nn[n-]n2)c(F)c1 ZINC001593481808 1077009645 /nfs/dbraw/zinc/00/96/45/1077009645.db2.gz KBIRBZBLVQGLJA-UHFFFAOYSA-N -1 1 302.225 2.101 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC2(C1)CCCC2 ZINC001593487939 1077011674 /nfs/dbraw/zinc/01/16/74/1077011674.db2.gz OEISVNGEMMMPNB-UHFFFAOYSA-N -1 1 306.351 2.217 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC2(C1)CCCC2 ZINC001593487939 1077011677 /nfs/dbraw/zinc/01/16/77/1077011677.db2.gz OEISVNGEMMMPNB-UHFFFAOYSA-N -1 1 306.351 2.217 20 5 DEBDMM O=C([O-])c1ccc2ccccc2c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001608927312 1077722486 /nfs/dbraw/zinc/72/24/86/1077722486.db2.gz XWPFHSIHCLPEBB-VXGBXAGGSA-N -1 1 300.270 2.142 20 5 DEBDMM C[C@@H]1CC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1C ZINC001609162014 1077778633 /nfs/dbraw/zinc/77/86/33/1077778633.db2.gz ZPQZUKGIROTIHT-UTLUCORTSA-N -1 1 317.353 2.407 20 5 DEBDMM C[C@@H]1CC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1C ZINC001609162014 1077778636 /nfs/dbraw/zinc/77/86/36/1077778636.db2.gz ZPQZUKGIROTIHT-UTLUCORTSA-N -1 1 317.353 2.407 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1cccc(O)c1 ZINC001609600249 1077881364 /nfs/dbraw/zinc/88/13/64/1077881364.db2.gz YZRLNFRLTSCFSY-UHFFFAOYSA-N -1 1 316.302 2.027 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1cccc(O)c1 ZINC001609600249 1077881368 /nfs/dbraw/zinc/88/13/68/1077881368.db2.gz YZRLNFRLTSCFSY-UHFFFAOYSA-N -1 1 316.302 2.027 20 5 DEBDMM O=[N+]([O-])c1ccc(N2C[C@@H]3CCCC[C@H]3C2)cc1-c1nnn[n-]1 ZINC001609601565 1077882648 /nfs/dbraw/zinc/88/26/48/1077882648.db2.gz NYPLESVMYNHPKY-QWRGUYRKSA-N -1 1 314.349 2.401 20 5 DEBDMM O=[N+]([O-])c1ccc(N2C[C@@H]3CCCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC001609601565 1077882650 /nfs/dbraw/zinc/88/26/50/1077882650.db2.gz NYPLESVMYNHPKY-QWRGUYRKSA-N -1 1 314.349 2.401 20 5 DEBDMM CCn1ncc([N-]c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c1C ZINC001651383827 1079806439 /nfs/dbraw/zinc/80/64/39/1079806439.db2.gz PBRLKDGANHYDDI-UHFFFAOYSA-N -1 1 319.321 2.353 20 5 DEBDMM CCOC(=O)c1nc([C@@H](C)Nc2cc(C)ccc2[N+](=O)[O-])n[n-]1 ZINC001652030400 1079848102 /nfs/dbraw/zinc/84/81/02/1079848102.db2.gz VWOVMQOPFDXTSJ-SECBINFHSA-N -1 1 319.321 2.371 20 5 DEBDMM CCOC(=O)c1nnc([C@@H](C)Nc2cc(C)ccc2[N+](=O)[O-])[n-]1 ZINC001652030400 1079848106 /nfs/dbraw/zinc/84/81/06/1079848106.db2.gz VWOVMQOPFDXTSJ-SECBINFHSA-N -1 1 319.321 2.371 20 5 DEBDMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2cc(C)ccc2[N+](=O)[O-])n1 ZINC001652030400 1079848110 /nfs/dbraw/zinc/84/81/10/1079848110.db2.gz VWOVMQOPFDXTSJ-SECBINFHSA-N -1 1 319.321 2.371 20 5 DEBDMM COC1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCCCC1 ZINC001654848873 1079978844 /nfs/dbraw/zinc/97/88/44/1079978844.db2.gz FUKYEGKCPMCJRK-UHFFFAOYSA-N -1 1 323.349 2.165 20 5 DEBDMM O=C1CCc2cc(-c3noc(-c4[n-]cnc4[N+](=O)[O-])n3)ccc21 ZINC001212893022 1087755346 /nfs/dbraw/zinc/75/53/46/1087755346.db2.gz IXERMAYVXNZZOM-UHFFFAOYSA-N -1 1 311.257 2.164 20 5 DEBDMM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)n2)s1 ZINC001264067072 1144453946 /nfs/dbraw/zinc/45/39/46/1144453946.db2.gz LYGYBSWIADGFHL-UHFFFAOYSA-N -1 1 307.335 2.355 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2=CCCC2)cc1F ZINC001309699997 1147506708 /nfs/dbraw/zinc/50/67/08/1147506708.db2.gz UGTBMVBIMLFMLZ-UHFFFAOYSA-N -1 1 314.338 2.431 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](F)C1 ZINC001326321236 1148077054 /nfs/dbraw/zinc/07/70/54/1148077054.db2.gz YQORFQHMKVSUEH-BDAKNGLRSA-N -1 1 320.317 2.293 20 5 DEBDMM CC1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000141225159 186029119 /nfs/dbraw/zinc/02/91/19/186029119.db2.gz MCBOSZGCCLXAPF-UHFFFAOYSA-N -1 1 302.327 2.345 20 5 DEBDMM CCC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000175657718 186185700 /nfs/dbraw/zinc/18/57/00/186185700.db2.gz KHHNLONIJXYPMP-UHFFFAOYSA-N -1 1 302.327 2.202 20 5 DEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000074829539 191368196 /nfs/dbraw/zinc/36/81/96/191368196.db2.gz MHFSXNLFDUOIMW-UHFFFAOYSA-N -1 1 320.326 2.331 20 5 DEBDMM O=C([N-]c1nc2ccccn2n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133032406 355853982 /nfs/dbraw/zinc/85/39/82/355853982.db2.gz NJNGHZUIZMFIGT-UHFFFAOYSA-N -1 1 301.237 2.029 20 5 DEBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906318 357433205 /nfs/dbraw/zinc/43/32/05/357433205.db2.gz ZACRRGYJBFUNTM-UHFFFAOYSA-N -1 1 320.317 2.451 20 5 DEBDMM Cc1ccccc1C[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193436947 201051634 /nfs/dbraw/zinc/05/16/34/201051634.db2.gz DDNLYVYLVKFVGM-NSHDSACASA-N -1 1 315.329 2.365 20 5 DEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1 ZINC000288258310 220047150 /nfs/dbraw/zinc/04/71/50/220047150.db2.gz CGERQZQMLUXSKB-SNVBAGLBSA-N -1 1 324.280 2.214 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000193387099 296283284 /nfs/dbraw/zinc/28/32/84/296283284.db2.gz JVCNUFOKZYPRHG-CMPLNLGQSA-N -1 1 305.334 2.490 20 5 DEBDMM CS[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000157979429 295634526 /nfs/dbraw/zinc/63/45/26/295634526.db2.gz RFHAMEGQRDXDIL-ZETCQYMHSA-N -1 1 324.811 2.278 20 5 DEBDMM COc1cccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000353796454 133002386 /nfs/dbraw/zinc/00/23/86/133002386.db2.gz HVKUCSBXSQCPQS-SECBINFHSA-N -1 1 317.301 2.195 20 5 DEBDMM Cc1cccc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000353859508 133007723 /nfs/dbraw/zinc/00/77/23/133007723.db2.gz FCOJWHMSGZCIRD-UHFFFAOYSA-N -1 1 301.302 2.276 20 5 DEBDMM CC[C@@H](C)n1ncc([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])c1C ZINC000357681608 133093319 /nfs/dbraw/zinc/09/33/19/133093319.db2.gz QDYMHDXLHBWBMO-MRVPVSSYSA-N -1 1 318.337 2.308 20 5 DEBDMM CS[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000117426854 401877372 /nfs/dbraw/zinc/87/73/72/401877372.db2.gz GTWBMWVSFLJZAS-WPRPVWTQSA-N -1 1 311.363 2.099 20 5 DEBDMM C[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])c2c([O-])cccc21 ZINC000186285454 402417505 /nfs/dbraw/zinc/41/75/05/402417505.db2.gz SBZJOTNWTRVTNS-QMMMGPOBSA-N -1 1 302.290 2.178 20 5 DEBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(C2CCCC2)CC1 ZINC000179417007 402589480 /nfs/dbraw/zinc/58/94/80/402589480.db2.gz NRRKLMZBNWDQTK-UHFFFAOYSA-N -1 1 319.361 2.001 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000193387078 402770681 /nfs/dbraw/zinc/77/06/81/402770681.db2.gz JVCNUFOKZYPRHG-JQWIXIFHSA-N -1 1 305.334 2.490 20 5 DEBDMM CSCCO[N-]C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280145113 402968760 /nfs/dbraw/zinc/96/87/60/402968760.db2.gz XPCCJFRZUXJAFE-UHFFFAOYSA-N -1 1 322.745 2.341 20 5 DEBDMM COc1cc(C(=O)[N-]c2nc(C)ns2)c([N+](=O)[O-])cc1OC ZINC000266558870 402973923 /nfs/dbraw/zinc/97/39/23/402973923.db2.gz MJKDDIOPTWNDFV-UHFFFAOYSA-N -1 1 324.318 2.024 20 5 DEBDMM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000270741885 403219657 /nfs/dbraw/zinc/21/96/57/403219657.db2.gz CKNJWVNEPWKMBW-JOYOIKCWSA-N -1 1 323.349 2.019 20 5 DEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1F ZINC000339130531 403365277 /nfs/dbraw/zinc/36/52/77/403365277.db2.gz YDPDGCFNFJPXFG-RKDXNWHRSA-N -1 1 322.745 2.417 20 5 DEBDMM C[C@H](CN(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000566861065 292273409 /nfs/dbraw/zinc/27/34/09/292273409.db2.gz YLPSQIIDWZOYKY-SNVBAGLBSA-N -1 1 319.317 2.402 20 5 DEBDMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000345821197 403497821 /nfs/dbraw/zinc/49/78/21/403497821.db2.gz JFFIRJVHLMLOGG-UHFFFAOYSA-N -1 1 319.292 2.500 20 5 DEBDMM COCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000343558815 403636901 /nfs/dbraw/zinc/63/69/01/403636901.db2.gz SHHOATJJTXFRQQ-UHFFFAOYSA-N -1 1 305.290 2.200 20 5 DEBDMM C[C@@H]1C[C@@H](CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000338651670 404462177 /nfs/dbraw/zinc/46/21/77/404462177.db2.gz QYLULPKNXNHFGC-JGPRNRPPSA-N -1 1 323.349 2.019 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2cc(F)ccc2C1 ZINC000193793796 534767079 /nfs/dbraw/zinc/76/70/79/534767079.db2.gz QCOOWDNSIKRISY-UHFFFAOYSA-N -1 1 317.276 2.033 20 5 DEBDMM Cc1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000107484148 525296300 /nfs/dbraw/zinc/29/63/00/525296300.db2.gz UGEZWOJXLNNGHN-UHFFFAOYSA-N -1 1 307.331 2.240 20 5 DEBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000189536273 535801801 /nfs/dbraw/zinc/80/18/01/535801801.db2.gz SEPDOHNTCNFRBN-SNVBAGLBSA-N -1 1 320.305 2.181 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2cncc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000738373809 599529440 /nfs/dbraw/zinc/52/94/40/599529440.db2.gz HDAXGTUAKHAQPL-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2cncc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000738373809 599529442 /nfs/dbraw/zinc/52/94/42/599529442.db2.gz HDAXGTUAKHAQPL-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1cc(NCCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000823634711 606644470 /nfs/dbraw/zinc/64/44/70/606644470.db2.gz KLAIGQSBCGUBCD-UHFFFAOYSA-N -1 1 310.317 2.430 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cncc(Cl)c1 ZINC000823629604 606712744 /nfs/dbraw/zinc/71/27/44/606712744.db2.gz BKYWLYCLDRQYCL-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cncc(Cl)c1 ZINC000823629604 606712745 /nfs/dbraw/zinc/71/27/45/606712745.db2.gz BKYWLYCLDRQYCL-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM CC(C)c1ncc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])[n-]1 ZINC000122620728 625081131 /nfs/dbraw/zinc/08/11/31/625081131.db2.gz ZJZQYFWGNZNXDZ-UHFFFAOYSA-N -1 1 311.319 2.209 20 5 DEBDMM CC(C)c1nc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c[n-]1 ZINC000122620728 625081135 /nfs/dbraw/zinc/08/11/35/625081135.db2.gz ZJZQYFWGNZNXDZ-UHFFFAOYSA-N -1 1 311.319 2.209 20 5 DEBDMM O=C([N-]c1nc2n(n1)CCCC2)c1cccc(Cl)c1[N+](=O)[O-] ZINC000837195184 650174125 /nfs/dbraw/zinc/17/41/25/650174125.db2.gz LWTAWYJPNWNLIK-UHFFFAOYSA-N -1 1 321.724 2.428 20 5 DEBDMM O=C(Oc1cccc2c1OCCO2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000774029556 641854638 /nfs/dbraw/zinc/85/46/38/641854638.db2.gz IBTQNZPDFSPJNH-UHFFFAOYSA-N -1 1 317.253 2.291 20 5 DEBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc(C2CC2)no1 ZINC000780075777 642582776 /nfs/dbraw/zinc/58/27/76/642582776.db2.gz MGOMCWHXHAWDFD-SSDOTTSWSA-N -1 1 319.273 2.479 20 5 DEBDMM COC(=O)c1ccc(C(=O)Oc2ccc(C)c([N+](=O)[O-])c2)[n-]1 ZINC000796997105 644823404 /nfs/dbraw/zinc/82/34/04/644823404.db2.gz OZOKTHNGONOJON-UHFFFAOYSA-N -1 1 304.258 2.237 20 5 DEBDMM Cn1cnc([N-]C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000817153482 647233010 /nfs/dbraw/zinc/23/30/10/647233010.db2.gz NQKKFHBPUKSQKI-UHFFFAOYSA-N -1 1 316.104 2.282 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC/C=C\c1ccccc1 ZINC000823624588 648456903 /nfs/dbraw/zinc/45/69/03/648456903.db2.gz DSLMYOYIMOCJNK-DAXSKMNVSA-N -1 1 323.316 2.295 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC/C=C\c1ccccc1 ZINC000823624588 648456906 /nfs/dbraw/zinc/45/69/06/648456906.db2.gz DSLMYOYIMOCJNK-DAXSKMNVSA-N -1 1 323.316 2.295 20 5 DEBDMM O=C([O-])/C=C/c1ccc(NCCN2CC=CCC2)c([N+](=O)[O-])c1 ZINC000844210846 651093436 /nfs/dbraw/zinc/09/34/36/651093436.db2.gz LBFGXNYUQHCDGH-FNORWQNLSA-N -1 1 317.345 2.366 20 5 DEBDMM C[S@@](=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001447491298 1184787322 /nfs/dbraw/zinc/78/73/22/1184787322.db2.gz ONEHMIMKEGYKLC-OAQYLSRUSA-N -1 1 307.331 2.054 20 5 DEBDMM CCCN=c1c(N)c(Cl)ncn1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815001 798543906 /nfs/dbraw/zinc/54/39/06/798543906.db2.gz RRLQGQOBGPKOLH-UHFFFAOYSA-N -1 1 323.740 2.032 20 5 DEBDMM O=C(NCc1ccc2cccnc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161727369 798923517 /nfs/dbraw/zinc/92/35/17/798923517.db2.gz MJMFKNCBMYAAHT-UHFFFAOYSA-N -1 1 324.296 2.174 20 5 DEBDMM NC(=O)c1ccnc(NCc2ccc([O-])c(Cl)c2)c1[N+](=O)[O-] ZINC001164061132 799500069 /nfs/dbraw/zinc/50/00/69/799500069.db2.gz NMTXOGQERIUSHZ-UHFFFAOYSA-N -1 1 322.708 2.060 20 5 DEBDMM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])[N-]OCC(F)F ZINC000935387789 800645182 /nfs/dbraw/zinc/64/51/82/800645182.db2.gz GXCHZNQVDSGZSD-UHFFFAOYSA-N -1 1 308.668 2.494 20 5 DEBDMM Cc1cnc(F)c([C@H](C)Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001229377445 801266230 /nfs/dbraw/zinc/26/62/30/801266230.db2.gz DELMHIMPUSSCAY-ZETCQYMHSA-N -1 1 308.269 2.381 20 5 DEBDMM CCOC(=O)N1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229398240 801270701 /nfs/dbraw/zinc/27/07/01/801270701.db2.gz RVIJJTMYLMMMIM-NSHDSACASA-N -1 1 310.306 2.300 20 5 DEBDMM CCOC(=O)[C@@H]1CC[C@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231265130 801621686 /nfs/dbraw/zinc/62/16/86/801621686.db2.gz YUJZHRHCCDTTKM-ZJUUUORDSA-N -1 1 310.306 2.114 20 5 DEBDMM O=[N+]([O-])c1ccc2c(c1)C[C@@H](OCCCC[P@@](=O)([O-])O)C2 ZINC001225022642 802928166 /nfs/dbraw/zinc/92/81/66/802928166.db2.gz PQDHNXWYKCDUIB-ZDUSSCGKSA-N -1 1 315.262 2.037 20 5 DEBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001226310129 803086282 /nfs/dbraw/zinc/08/62/82/803086282.db2.gz MZEFLQXVJLTFDW-IQJOONFLSA-N -1 1 320.301 2.216 20 5 DEBDMM CN1CCC[C@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1 ZINC001228859095 803422156 /nfs/dbraw/zinc/42/21/56/803422156.db2.gz IMZXAMVDGPDWEA-ZETCQYMHSA-N -1 1 321.255 2.187 20 5 DEBDMM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc[nH]1 ZINC001593298203 994711081 /nfs/dbraw/zinc/71/10/81/994711081.db2.gz FLWXKESERGZOKZ-JTQLQIEISA-N -1 1 319.317 2.237 20 5 DEBDMM CC(C)(C)C1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001603067844 1069854201 /nfs/dbraw/zinc/85/42/01/1069854201.db2.gz RVTAEOVCFQKJNX-UHFFFAOYSA-N -1 1 302.338 2.257 20 5 DEBDMM C[C@@H]1[C@H](C)SCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603954496 1070158175 /nfs/dbraw/zinc/15/81/75/1070158175.db2.gz DBEGAAXKJLXVMO-BDAKNGLRSA-N -1 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Cc1cc(N2C[C@@H]3CCCC[C@@H]32)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605700963 1070852767 /nfs/dbraw/zinc/85/27/67/1070852767.db2.gz VFHAFSXMDHWRSF-GWCFXTLKSA-N -1 1 314.349 2.462 20 5 DEBDMM Cc1cc(N[C@H]2CS[C@@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605724038 1070875371 /nfs/dbraw/zinc/87/53/71/1070875371.db2.gz QQZYLTFESZDJAN-WCBMZHEXSA-N -1 1 320.378 2.389 20 5 DEBDMM Cc1cc(N[C@H]2CS[C@@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605724038 1070875398 /nfs/dbraw/zinc/87/53/98/1070875398.db2.gz QQZYLTFESZDJAN-WCBMZHEXSA-N -1 1 320.378 2.389 20 5 DEBDMM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1cccs1 ZINC001475200220 1060980910 /nfs/dbraw/zinc/98/09/10/1060980910.db2.gz JVVMAPHMALTEJJ-QMMMGPOBSA-N -1 1 313.360 2.091 20 5 DEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC001610842172 1078084746 /nfs/dbraw/zinc/08/47/46/1078084746.db2.gz QZEWHMLXFBQOPO-LSDHHAIUSA-N -1 1 320.345 2.436 20 5 DEBDMM O=C([O-])c1sc2ccccc2c1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001610874224 1078089611 /nfs/dbraw/zinc/08/96/11/1078089611.db2.gz RLNRRQFNOZEOIB-PSASIEDQSA-N -1 1 321.310 2.308 20 5 DEBDMM C[C@H](Cc1cnc[nH]1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001623959357 1078213150 /nfs/dbraw/zinc/21/31/50/1078213150.db2.gz PGUWZKXSICMFBV-SSDOTTSWSA-N -1 1 324.724 2.494 20 5 DEBDMM CC[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@H]1C ZINC001577162213 1066776916 /nfs/dbraw/zinc/77/69/16/1066776916.db2.gz VLRBXXUJVSUXFX-VHSXEESVSA-N -1 1 302.338 2.400 20 5 DEBDMM CC[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@H]1C ZINC001577162213 1066776909 /nfs/dbraw/zinc/77/69/09/1066776909.db2.gz VLRBXXUJVSUXFX-VHSXEESVSA-N -1 1 302.338 2.400 20 5 DEBDMM COc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c([O-])c1 ZINC001646256188 1074389576 /nfs/dbraw/zinc/38/95/76/1074389576.db2.gz WUMRCRZWTVJWHJ-UHFFFAOYSA-N -1 1 317.301 2.452 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccccc1O ZINC001582802128 1076185294 /nfs/dbraw/zinc/18/52/94/1076185294.db2.gz KCQRTGLBYZAYJG-UHFFFAOYSA-N -1 1 316.302 2.027 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ccccc1O ZINC001582802128 1076185295 /nfs/dbraw/zinc/18/52/95/1076185295.db2.gz KCQRTGLBYZAYJG-UHFFFAOYSA-N -1 1 316.302 2.027 20 5 DEBDMM CC(C)(O)CCSc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589339404 1076486843 /nfs/dbraw/zinc/48/68/43/1076486843.db2.gz WTZVZNSWWMUUHX-UHFFFAOYSA-N -1 1 309.351 2.028 20 5 DEBDMM CC(C)(O)CCSc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589339404 1076486848 /nfs/dbraw/zinc/48/68/48/1076486848.db2.gz WTZVZNSWWMUUHX-UHFFFAOYSA-N -1 1 309.351 2.028 20 5 DEBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC001589981848 1076542178 /nfs/dbraw/zinc/54/21/78/1076542178.db2.gz KHNNIGYOQOSWJK-ZJUUUORDSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@H](c1ccc(Cl)cc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590041033 1076551438 /nfs/dbraw/zinc/55/14/38/1076551438.db2.gz WSMRTOLHEXOQPX-ZETCQYMHSA-N -1 1 319.712 2.234 20 5 DEBDMM C[C@]1(F)CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590141834 1076573389 /nfs/dbraw/zinc/57/33/89/1076573389.db2.gz OOWHECXOODIJCI-ZDUSSCGKSA-N -1 1 306.301 2.103 20 5 DEBDMM C[C@]1(F)CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590141834 1076573390 /nfs/dbraw/zinc/57/33/90/1076573390.db2.gz OOWHECXOODIJCI-ZDUSSCGKSA-N -1 1 306.301 2.103 20 5 DEBDMM C[C@H]1C[C@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001590191656 1076579770 /nfs/dbraw/zinc/57/97/70/1076579770.db2.gz GVJVKEDSAINGLS-VHSXEESVSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@H]1C[C@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001590191656 1076579775 /nfs/dbraw/zinc/57/97/75/1076579775.db2.gz GVJVKEDSAINGLS-VHSXEESVSA-N -1 1 318.337 2.002 20 5 DEBDMM CC[C@](C)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])OC ZINC001590381897 1076618295 /nfs/dbraw/zinc/61/82/95/1076618295.db2.gz OJQYSOIPHZEUTL-CYBMUJFWSA-N -1 1 306.326 2.002 20 5 DEBDMM CC[C@](C)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])OC ZINC001590381897 1076618296 /nfs/dbraw/zinc/61/82/96/1076618296.db2.gz OJQYSOIPHZEUTL-CYBMUJFWSA-N -1 1 306.326 2.002 20 5 DEBDMM CCC(O)(CC)CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590473622 1076636356 /nfs/dbraw/zinc/63/63/56/1076636356.db2.gz OQLXEZZTCPHXDQ-UHFFFAOYSA-N -1 1 320.353 2.128 20 5 DEBDMM CC[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590515188 1076646787 /nfs/dbraw/zinc/64/67/87/1076646787.db2.gz YWACHQNRRYNUAC-SNVBAGLBSA-N -1 1 302.338 2.320 20 5 DEBDMM CC[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590515188 1076646790 /nfs/dbraw/zinc/64/67/90/1076646790.db2.gz YWACHQNRRYNUAC-SNVBAGLBSA-N -1 1 302.338 2.320 20 5 DEBDMM Cc1cc(Oc2ccc(F)nc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592062386 1076841414 /nfs/dbraw/zinc/84/14/14/1076841414.db2.gz IINNZILKVMMUGG-UHFFFAOYSA-N -1 1 316.252 2.410 20 5 DEBDMM O=[N+]([O-])c1c(NCC[C@H]2CCCCO2)cccc1-c1nnn[n-]1 ZINC001593464953 1077004118 /nfs/dbraw/zinc/00/41/18/1077004118.db2.gz BXVFOMUEQACYHT-SNVBAGLBSA-N -1 1 318.337 2.146 20 5 DEBDMM O=[N+]([O-])c1c(NCC[C@H]2CCCCO2)cccc1-c1nn[n-]n1 ZINC001593464953 1077004122 /nfs/dbraw/zinc/00/41/22/1077004122.db2.gz BXVFOMUEQACYHT-SNVBAGLBSA-N -1 1 318.337 2.146 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SCCC(F)(F)F ZINC001593465724 1077005279 /nfs/dbraw/zinc/00/52/79/1077005279.db2.gz XOSPGJJIJNEDGJ-UHFFFAOYSA-N -1 1 320.256 2.214 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1SCCC(F)(F)F ZINC001593465724 1077005284 /nfs/dbraw/zinc/00/52/84/1077005284.db2.gz XOSPGJJIJNEDGJ-UHFFFAOYSA-N -1 1 320.256 2.214 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593465734 1077005411 /nfs/dbraw/zinc/00/54/11/1077005411.db2.gz XZZDMVOSXKGGSZ-KXUCPTDWSA-N -1 1 315.337 2.018 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593465734 1077005413 /nfs/dbraw/zinc/00/54/13/1077005413.db2.gz XZZDMVOSXKGGSZ-KXUCPTDWSA-N -1 1 315.337 2.018 20 5 DEBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CCCCS2)cc1-c1nnn[n-]1 ZINC001593478522 1077010282 /nfs/dbraw/zinc/01/02/82/1077010282.db2.gz VBNZSTSVTGJWRI-JTQLQIEISA-N -1 1 320.378 2.473 20 5 DEBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CCCCS2)cc1-c1nn[n-]n1 ZINC001593478522 1077010288 /nfs/dbraw/zinc/01/02/88/1077010288.db2.gz VBNZSTSVTGJWRI-JTQLQIEISA-N -1 1 320.378 2.473 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001593488473 1077011224 /nfs/dbraw/zinc/01/12/24/1077011224.db2.gz YQTUGLCSMMBQQL-OCAPTIKFSA-N -1 1 306.351 2.073 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001593488473 1077011226 /nfs/dbraw/zinc/01/12/26/1077011226.db2.gz YQTUGLCSMMBQQL-OCAPTIKFSA-N -1 1 306.351 2.073 20 5 DEBDMM Cc1cc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccn1 ZINC001600204540 1077160990 /nfs/dbraw/zinc/16/09/90/1077160990.db2.gz ICBRLAJZYQKLBX-INIZCTEOSA-N -1 1 315.329 2.388 20 5 DEBDMM O=C([O-])[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC001608550387 1077654264 /nfs/dbraw/zinc/65/42/64/1077654264.db2.gz MMCOMQPZHFEJMM-CQSZACIVSA-N -1 1 302.286 2.216 20 5 DEBDMM O=[N+]([O-])c1cc(S[C@H]2CCCOC2)ccc1-c1nnn[n-]1 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Cc1ccc2c(c1)CCN2c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826293874 608296023 /nfs/dbraw/zinc/29/60/23/608296023.db2.gz DBSZKIYTNLTNAA-UHFFFAOYSA-N -1 1 323.316 2.173 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2CC2)cc1F ZINC000866884441 625123010 /nfs/dbraw/zinc/12/30/10/625123010.db2.gz NQVNMSVDXLXEOD-UHFFFAOYSA-N -1 1 302.327 2.121 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@]12C[C@H]1CCC2 ZINC000921925818 635717242 /nfs/dbraw/zinc/71/72/42/635717242.db2.gz SUYPKZOPGRJYIY-RNCFNFMXSA-N -1 1 314.338 2.202 20 5 DEBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(F)(F)F)no2)n1 ZINC000757660483 639865781 /nfs/dbraw/zinc/86/57/81/639865781.db2.gz FJWIQPDMBNTOQO-UHFFFAOYSA-N -1 1 319.199 2.070 20 5 DEBDMM O=C(OCCCc1ccncc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000778321651 642372259 /nfs/dbraw/zinc/37/22/59/642372259.db2.gz CAGBBFLCTQWRTN-UHFFFAOYSA-N -1 1 302.286 2.485 20 5 DEBDMM CCOC(=O)CCCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075014 642581819 /nfs/dbraw/zinc/58/18/19/642581819.db2.gz INLGEEBOKLQDRH-UHFFFAOYSA-N -1 1 311.290 2.191 20 5 DEBDMM Cc1cc(N[C@@H]2CC=C(C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000863480625 686507589 /nfs/dbraw/zinc/50/75/89/686507589.db2.gz RLGDIBXQXUMFNA-LLVKDONJSA-N -1 1 313.313 2.459 20 5 DEBDMM COC(=O)CC[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000877818607 690240372 /nfs/dbraw/zinc/24/03/72/690240372.db2.gz LIIMZEDUIQPGCD-LBPRGKRZSA-N -1 1 322.361 2.466 20 5 DEBDMM C[C@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000883161780 691445035 /nfs/dbraw/zinc/44/50/35/691445035.db2.gz AWBYOJOEMLNJOG-LURJTMIESA-N -1 1 310.203 2.336 20 5 DEBDMM O=c1nc2nc[nH]c2c(Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)[n-]1 ZINC001170234692 786859343 /nfs/dbraw/zinc/85/93/43/786859343.db2.gz WFZRLLVBDAAHAG-UHFFFAOYSA-N -1 1 311.261 2.192 20 5 DEBDMM Cc1nc(SCCn2cc([N+](=O)[O-])cn2)[n-]c(=O)c1C1CC1 ZINC001166632284 799907468 /nfs/dbraw/zinc/90/74/68/799907468.db2.gz VJKPCKSAEILLLF-UHFFFAOYSA-N -1 1 321.362 2.265 20 5 DEBDMM C[C@@H](O)CC(=O)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229513676 801288151 /nfs/dbraw/zinc/28/81/51/801288151.db2.gz AFOVUFZTZVOJLR-SECBINFHSA-N -1 1 314.293 2.328 20 5 DEBDMM O=c1cccc2oc3cc([O-])c(O[C@H]4CC[NH2+]C4)cc3c([O-])c1-2 ZINC001218179983 802150829 /nfs/dbraw/zinc/15/08/29/802150829.db2.gz YVYRYMGVJXCGEZ-VIFPVBQESA-N -1 1 313.309 2.098 20 5 DEBDMM C[C@H]1CCCCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594376297 999419410 /nfs/dbraw/zinc/41/94/10/999419410.db2.gz JVRGVEXEMZBHAK-NSHDSACASA-N -1 1 308.334 2.433 20 5 DEBDMM CC(C)[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603386601 1069958465 /nfs/dbraw/zinc/95/84/65/1069958465.db2.gz XXJJLVYXEKOOLF-ONGXEEELSA-N -1 1 302.338 2.479 20 5 DEBDMM CC(C)[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603386601 1069958480 /nfs/dbraw/zinc/95/84/80/1069958480.db2.gz XXJJLVYXEKOOLF-ONGXEEELSA-N -1 1 302.338 2.479 20 5 DEBDMM C[C@@H](N(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1(C)CC1 ZINC001603598255 1070001797 /nfs/dbraw/zinc/00/17/97/1070001797.db2.gz HGWVLQWYTBHGJN-SECBINFHSA-N -1 1 302.338 2.400 20 5 DEBDMM C[C@H]1SCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@@H]1C ZINC001603954499 1070157831 /nfs/dbraw/zinc/15/78/31/1070157831.db2.gz DBEGAAXKJLXVMO-RKDXNWHRSA-N -1 1 320.378 2.105 20 5 DEBDMM C[C@H]1SCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@H]1C ZINC001603954497 1070158896 /nfs/dbraw/zinc/15/88/96/1070158896.db2.gz DBEGAAXKJLXVMO-DTWKUNHWSA-N -1 1 320.378 2.105 20 5 DEBDMM Nc1cc(NC[C@@H]2CC=CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606450870 1071147661 /nfs/dbraw/zinc/14/76/61/1071147661.db2.gz FMOVBNYUGIESSS-SECBINFHSA-N -1 1 315.337 2.125 20 5 DEBDMM Nc1cc(NC[C@@H]2CC=CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606450870 1071147667 /nfs/dbraw/zinc/14/76/67/1071147667.db2.gz FMOVBNYUGIESSS-SECBINFHSA-N -1 1 315.337 2.125 20 5 DEBDMM O=[N+]([O-])c1cc(NCCc2ccsc2)ccc1-c1nn[n-]n1 ZINC001607078851 1071289098 /nfs/dbraw/zinc/28/90/98/1071289098.db2.gz AFQPYAWYNYJDNW-UHFFFAOYSA-N -1 1 316.346 2.491 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC(F)(F)CC1 ZINC001607086032 1071292479 /nfs/dbraw/zinc/29/24/79/1071292479.db2.gz QWWWOKCZZUAWFN-UHFFFAOYSA-N -1 1 316.293 2.072 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC(F)(F)CC1 ZINC001607086032 1071292481 /nfs/dbraw/zinc/29/24/81/1071292481.db2.gz QWWWOKCZZUAWFN-UHFFFAOYSA-N -1 1 316.293 2.072 20 5 DEBDMM Cc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC001457715703 1058019068 /nfs/dbraw/zinc/01/90/68/1058019068.db2.gz IEWFRINCBMTWHH-JTQLQIEISA-N -1 1 301.302 2.495 20 5 DEBDMM Cc1[nH]nc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c1[O-] ZINC001470301438 1060081394 /nfs/dbraw/zinc/08/13/94/1060081394.db2.gz JOLFALOTTQPCPS-UHFFFAOYSA-N -1 1 316.317 2.315 20 5 DEBDMM C[C@@H]1CC(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H](C)C1 ZINC001472597750 1060552048 /nfs/dbraw/zinc/55/20/48/1060552048.db2.gz UOCKJKXOCZNGFF-UWVGGRQHSA-N -1 1 307.350 2.498 20 5 DEBDMM O=C(Nc1ccc([O-])c(F)c1F)[C@H](O)c1cccc([N+](=O)[O-])c1 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/nfs/dbraw/zinc/08/99/96/648089996.db2.gz QDYDLZSPNNLJAL-UHFFFAOYSA-N -1 1 322.708 2.188 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C=CCC1 ZINC000849429814 651669889 /nfs/dbraw/zinc/66/98/89/651669889.db2.gz FAZSDYGBHZXQBM-SECBINFHSA-N -1 1 302.739 2.245 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000856746976 651972118 /nfs/dbraw/zinc/97/21/18/651972118.db2.gz HKLZHPPRPCRZDK-SSDOTTSWSA-N -1 1 324.280 2.058 20 5 DEBDMM CC(C)(CCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)[N+](=O)[O-] ZINC000863476871 686506296 /nfs/dbraw/zinc/50/62/96/686506296.db2.gz AUZOPHJPJRAWIH-UHFFFAOYSA-N -1 1 318.333 2.352 20 5 DEBDMM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC(F)(F)C1 ZINC000872667466 689060511 /nfs/dbraw/zinc/06/05/11/689060511.db2.gz FWMAXJNBOLGWHL-UHFFFAOYSA-N -1 1 324.280 2.200 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C=CCC2)cc1F ZINC000882557444 691313248 /nfs/dbraw/zinc/31/32/48/691313248.db2.gz AKVSFVAPQLZJLP-SNVBAGLBSA-N -1 1 314.338 2.287 20 5 DEBDMM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc(Cl)ccc2[O-])n1 ZINC001183218867 795826928 /nfs/dbraw/zinc/82/69/28/795826928.db2.gz QDFZSJPPJNDLAP-UHFFFAOYSA-N -1 1 308.681 2.305 20 5 DEBDMM Cc1cccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001152123067 797147204 /nfs/dbraw/zinc/14/72/04/797147204.db2.gz VNAWYJALTPZTPQ-JTQLQIEISA-N -1 1 301.302 2.495 20 5 DEBDMM O=C(NCc1cccc2ncccc12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161780446 798934684 /nfs/dbraw/zinc/93/46/84/798934684.db2.gz MYCOPRKLQFWDBK-UHFFFAOYSA-N -1 1 324.296 2.174 20 5 DEBDMM CCOC(=O)[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])C(F)(F)F ZINC001229754052 801313158 /nfs/dbraw/zinc/31/31/58/801313158.db2.gz LIXCRVIJPIALAM-JTQLQIEISA-N -1 1 323.223 2.482 20 5 DEBDMM CCOC(=O)[C@H]1CC[C@@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231265129 801620757 /nfs/dbraw/zinc/62/07/57/801620757.db2.gz YUJZHRHCCDTTKM-VHSXEESVSA-N -1 1 310.306 2.114 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC(F)F ZINC001214038230 801667331 /nfs/dbraw/zinc/66/73/31/801667331.db2.gz DBJAAQWHODREAC-UHFFFAOYSA-N -1 1 314.697 2.182 20 5 DEBDMM COC(=O)[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001225665571 802999876 /nfs/dbraw/zinc/99/98/76/802999876.db2.gz BSCXZPNHOMVFHM-LBPRGKRZSA-N -1 1 322.248 2.128 20 5 DEBDMM COC(=O)[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1F ZINC001225665571 802999882 /nfs/dbraw/zinc/99/98/82/802999882.db2.gz BSCXZPNHOMVFHM-LBPRGKRZSA-N -1 1 322.248 2.128 20 5 DEBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CC[C@@H](C)C1 ZINC001226309907 803086645 /nfs/dbraw/zinc/08/66/45/803086645.db2.gz KIXYYUQHNAGSQW-BDAKNGLRSA-N -1 1 310.306 2.440 20 5 DEBDMM C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1(Cl)Cl ZINC001330693867 1149258860 /nfs/dbraw/zinc/25/88/60/1149258860.db2.gz CULDRLIUXLHFPW-JTQLQIEISA-N -1 1 320.132 2.009 20 5 DEBDMM C[C@H](CO)C1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001592758197 979344787 /nfs/dbraw/zinc/34/47/87/979344787.db2.gz PYGRFKMWWNGPBX-LLVKDONJSA-N -1 1 322.361 2.133 20 5 DEBDMM CCN1CC[C@@H]1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001596415119 984016645 /nfs/dbraw/zinc/01/66/45/984016645.db2.gz GJADSLOGGQJPLN-MRVPVSSYSA-N -1 1 313.741 2.453 20 5 DEBDMM C[C@H](O)[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593438951 995282844 /nfs/dbraw/zinc/28/28/44/995282844.db2.gz XMQHSXMWRLWIIG-GWCFXTLKSA-N -1 1 308.334 2.028 20 5 DEBDMM COc1cc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001599407487 997349796 /nfs/dbraw/zinc/34/97/96/997349796.db2.gz SLFWWWWXUPJTPP-CQSZACIVSA-N -1 1 312.297 2.039 20 5 DEBDMM COc1cc(CN2CC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001599407487 997349820 /nfs/dbraw/zinc/34/98/20/997349820.db2.gz SLFWWWWXUPJTPP-CQSZACIVSA-N -1 1 312.297 2.039 20 5 DEBDMM COC[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599203060 997352050 /nfs/dbraw/zinc/35/20/50/997352050.db2.gz KSUKDRLFRQYKHT-CYBMUJFWSA-N -1 1 308.334 2.294 20 5 DEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC001602405120 1069628968 /nfs/dbraw/zinc/62/89/68/1069628968.db2.gz MSDZXALJVXJBSU-LBPRGKRZSA-N -1 1 322.361 2.278 20 5 DEBDMM C/C(=C\Cl)CSc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602900349 1069789441 /nfs/dbraw/zinc/78/94/41/1069789441.db2.gz FHLVUICFZVWUIE-ZZXKWVIFSA-N -1 1 312.742 2.405 20 5 DEBDMM CC1(C)C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001603765128 1070087195 /nfs/dbraw/zinc/08/71/95/1070087195.db2.gz NOVCFCLXGMJSMW-SECBINFHSA-N -1 1 318.337 2.144 20 5 DEBDMM CC1(C)C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001603765128 1070087207 /nfs/dbraw/zinc/08/72/07/1070087207.db2.gz NOVCFCLXGMJSMW-SECBINFHSA-N -1 1 318.337 2.144 20 5 DEBDMM CCC[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])OCC ZINC001604143830 1070243512 /nfs/dbraw/zinc/24/35/12/1070243512.db2.gz MHAXHTDRDQNAGR-SNVBAGLBSA-N -1 1 320.353 2.392 20 5 DEBDMM CCC[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])OCC ZINC001604143830 1070243528 /nfs/dbraw/zinc/24/35/28/1070243528.db2.gz MHAXHTDRDQNAGR-SNVBAGLBSA-N -1 1 320.353 2.392 20 5 DEBDMM CN(Cc1ccoc1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604821932 1070507562 /nfs/dbraw/zinc/50/75/62/1070507562.db2.gz QNLKDQUPVQENPM-UHFFFAOYSA-N -1 1 306.307 2.066 20 5 DEBDMM CN(Cc1ccoc1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604821932 1070507577 /nfs/dbraw/zinc/50/75/77/1070507577.db2.gz QNLKDQUPVQENPM-UHFFFAOYSA-N -1 1 306.307 2.066 20 5 DEBDMM O=[N+]([O-])c1cc(N[C@@H]2CCC[C@H](F)C2)ccc1-c1nn[n-]n1 ZINC001607080500 1071290189 /nfs/dbraw/zinc/29/01/89/1071290189.db2.gz VEZODTRBBXYIIU-DTWKUNHWSA-N -1 1 306.301 2.468 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001607085474 1071292558 /nfs/dbraw/zinc/29/25/58/1071292558.db2.gz DZUBZNVQTWBWDH-DTORHVGOSA-N -1 1 320.378 2.463 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001607085474 1071292561 /nfs/dbraw/zinc/29/25/61/1071292561.db2.gz DZUBZNVQTWBWDH-DTORHVGOSA-N -1 1 320.378 2.463 20 5 DEBDMM CCc1csc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001452058086 1056995405 /nfs/dbraw/zinc/99/54/05/1056995405.db2.gz ZJFMAOCYXRSYFL-SSDOTTSWSA-N -1 1 322.346 2.205 20 5 DEBDMM C[C@@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@H]1C ZINC001472554871 1060534908 /nfs/dbraw/zinc/53/49/08/1060534908.db2.gz WUVKYAJTVCUHBM-VWYCJHECSA-N -1 1 307.350 2.498 20 5 DEBDMM CN=[S@@](C)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC001624091603 1078215534 /nfs/dbraw/zinc/21/55/34/1078215534.db2.gz VFTIEQZULFNOPU-QFIPXVFZSA-N -1 1 322.346 2.262 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(c2ccc(F)cc2)C1 ZINC001569547887 1065585334 /nfs/dbraw/zinc/58/53/34/1065585334.db2.gz BSPOGLOAZJDPMB-UHFFFAOYSA-N -1 1 317.276 2.074 20 5 DEBDMM COc1cccc([O-])c1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001625750599 1078250398 /nfs/dbraw/zinc/25/03/98/1078250398.db2.gz MINLOKAWSIASGX-UHFFFAOYSA-N -1 1 303.274 2.144 20 5 DEBDMM O=C([N-]c1cc(F)c(F)c(F)c1F)c1c[nH]nc1[N+](=O)[O-] ZINC001632473581 1078384340 /nfs/dbraw/zinc/38/43/40/1078384340.db2.gz TYZVEFPVAQKYEK-UHFFFAOYSA-N 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ZINC001590105657 1076565224 /nfs/dbraw/zinc/56/52/24/1076565224.db2.gz GDYXMDKMOXMKGA-UHFFFAOYSA-N -1 1 308.367 2.461 20 5 DEBDMM C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS1 ZINC001590210097 1076584120 /nfs/dbraw/zinc/58/41/20/1076584120.db2.gz VZMNUOQTELIFBL-SCZZXKLOSA-N -1 1 320.378 2.471 20 5 DEBDMM C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS1 ZINC001590210097 1076584123 /nfs/dbraw/zinc/58/41/23/1076584123.db2.gz VZMNUOQTELIFBL-SCZZXKLOSA-N -1 1 320.378 2.471 20 5 DEBDMM C[C@@H]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)O1 ZINC001590244004 1076597720 /nfs/dbraw/zinc/59/77/20/1076597720.db2.gz QUMURNGUWKCFLI-MWLCHTKSSA-N -1 1 318.337 2.144 20 5 DEBDMM C[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590256246 1076602288 /nfs/dbraw/zinc/60/22/88/1076602288.db2.gz YYWBLNAKDFTVRD-BDAKNGLRSA-N -1 1 317.353 2.348 20 5 DEBDMM C[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590256246 1076602290 /nfs/dbraw/zinc/60/22/90/1076602290.db2.gz YYWBLNAKDFTVRD-BDAKNGLRSA-N -1 1 317.353 2.348 20 5 DEBDMM CC[C@@H](C[C@@H](C)O)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590421848 1076625369 /nfs/dbraw/zinc/62/53/69/1076625369.db2.gz OOYINEDMCCLUFM-ZJUUUORDSA-N -1 1 320.353 2.045 20 5 DEBDMM CC[C@@H](C[C@@H](C)O)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590421848 1076625372 /nfs/dbraw/zinc/62/53/72/1076625372.db2.gz OOYINEDMCCLUFM-ZJUUUORDSA-N -1 1 320.353 2.045 20 5 DEBDMM Cc1ncccc1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592416909 1076911021 /nfs/dbraw/zinc/91/10/21/1076911021.db2.gz DHFNMPAEKZFTLY-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1ncccc1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592416909 1076911023 /nfs/dbraw/zinc/91/10/23/1076911023.db2.gz DHFNMPAEKZFTLY-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM O=[N+]([O-])c1c(NCCOCC2CCC2)cccc1-c1nnn[n-]1 ZINC001593465314 1077004758 /nfs/dbraw/zinc/00/47/58/1077004758.db2.gz MTGVMAUUGIGVQI-UHFFFAOYSA-N -1 1 318.337 2.004 20 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Cc1ccc(OCc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826292361 607863898 /nfs/dbraw/zinc/86/38/98/607863898.db2.gz RZGHSNHMYWJKBW-UHFFFAOYSA-N -1 1 312.289 2.057 20 5 DEBDMM Cc1ccc(OCc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826292361 607863899 /nfs/dbraw/zinc/86/38/99/607863899.db2.gz RZGHSNHMYWJKBW-UHFFFAOYSA-N -1 1 312.289 2.057 20 5 DEBDMM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815042243 646959095 /nfs/dbraw/zinc/95/90/95/646959095.db2.gz WEHVXUMXXUSCLC-HZGVNTEJSA-N -1 1 322.745 2.464 20 5 DEBDMM O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000920083592 648204458 /nfs/dbraw/zinc/20/44/58/648204458.db2.gz VMQQIXRQHYNBPP-UHFFFAOYSA-N -1 1 313.273 2.067 20 5 DEBDMM C[C@]1(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000846397456 651327849 /nfs/dbraw/zinc/32/78/49/651327849.db2.gz BDFAKSWXZDBLCK-NWDGAFQWSA-N -1 1 317.704 2.130 20 5 DEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2C=CCC2)cc1Cl ZINC000849427382 651669584 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/nfs/dbraw/zinc/11/46/37/362114637.db2.gz BKVMKRVKBNSZQQ-UHFFFAOYSA-N -1 1 319.292 2.281 20 5 DEBDMM CN(CCc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193402771 529934436 /nfs/dbraw/zinc/93/44/36/529934436.db2.gz BIFCFDKBWHGXCT-UHFFFAOYSA-N -1 1 301.302 2.010 20 5 DEBDMM Cn1nccc1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000092810237 355651539 /nfs/dbraw/zinc/65/15/39/355651539.db2.gz BFRKRUBNNLEWSN-UHFFFAOYSA-N -1 1 316.361 2.414 20 5 DEBDMM Cc1cc(N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c([N+](=O)[O-])s1 ZINC000596225805 358645376 /nfs/dbraw/zinc/64/53/76/358645376.db2.gz PDWREFNRAJOEFD-MRVPVSSYSA-N -1 1 310.335 2.437 20 5 DEBDMM Cc1ccc2c(c1)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000597965608 359054136 /nfs/dbraw/zinc/05/41/36/359054136.db2.gz LRUXTMNSORTHRA-UHFFFAOYSA-N -1 1 313.313 2.202 20 5 DEBDMM COc1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444855485 533166119 /nfs/dbraw/zinc/16/61/19/533166119.db2.gz ICMVMIPRPMYGIN-VIFPVBQESA-N -1 1 317.301 2.195 20 5 DEBDMM 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Cc1cc(N2CCC3(CCC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592004663 1076829158 /nfs/dbraw/zinc/82/91/58/1076829158.db2.gz PASKYZOOEOZZLO-UHFFFAOYSA-N -1 1 314.349 2.464 20 5 DEBDMM Cc1cc(N[C@@H]2C[C@H](C)O[C@@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592036516 1076835668 /nfs/dbraw/zinc/83/56/68/1076835668.db2.gz VROBRXZRQMFEQU-YGOYTEALSA-N -1 1 318.337 2.061 20 5 DEBDMM Cc1cc(N[C@@H]2C[C@H](C)O[C@@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592036516 1076835672 /nfs/dbraw/zinc/83/56/72/1076835672.db2.gz VROBRXZRQMFEQU-YGOYTEALSA-N -1 1 318.337 2.061 20 5 DEBDMM Cc1ccc(OCc2ccc(-c3nnn[n-]3)o2)c([N+](=O)[O-])c1 ZINC001592191612 1076873597 /nfs/dbraw/zinc/87/35/97/1076873597.db2.gz XPSDKTLPICHJRB-UHFFFAOYSA-N -1 1 301.262 2.255 20 5 DEBDMM Cc1ccc(OCc2ccc(-c3nn[n-]n3)o2)c([N+](=O)[O-])c1 ZINC001592191612 1076873600 /nfs/dbraw/zinc/87/36/00/1076873600.db2.gz XPSDKTLPICHJRB-UHFFFAOYSA-N -1 1 301.262 2.255 20 5 DEBDMM O=[N+]([O-])c1c(NC[C@@H]2CCCSC2)cccc1-c1nnn[n-]1 ZINC001593465313 1077004071 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DEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCC[C@H]1C=CCC1 ZINC001309817783 1147507896 /nfs/dbraw/zinc/50/78/96/1147507896.db2.gz QRWOQCIZNNOJQD-NSHDSACASA-N -1 1 311.363 2.015 20 5 DEBDMM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146806319 355909902 /nfs/dbraw/zinc/90/99/02/355909902.db2.gz CXUSLYLUGVSHSN-JGVFFNPUSA-N -1 1 304.755 2.183 20 5 DEBDMM Cc1[nH]nc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)c1[O-] ZINC000590872382 357631746 /nfs/dbraw/zinc/63/17/46/357631746.db2.gz LENPGONWGYSZTL-UHFFFAOYSA-N -1 1 319.321 2.405 20 5 DEBDMM Cc1cc(N2CCC[C@H](c3n[n-]c(=O)o3)C2)c([N+](=O)[O-])s1 ZINC000596225808 358644812 /nfs/dbraw/zinc/64/48/12/358644812.db2.gz PDWREFNRAJOEFD-QMMMGPOBSA-N -1 1 310.335 2.437 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000193682996 284743670 /nfs/dbraw/zinc/74/36/70/284743670.db2.gz DNZSSROEIIXSNF-ZYHUDNBSSA-N -1 1 323.374 2.196 20 5 DEBDMM Cc1cc2[nH]ncc2cc1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000362344960 133224894 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CC(C)c1ccc(C(=O)Nc2ccncc2[O-])cc1[N+](=O)[O-] ZINC000439732592 405290268 /nfs/dbraw/zinc/29/02/68/405290268.db2.gz QNOFWIDAJLXYNP-UHFFFAOYSA-N -1 1 301.302 2.493 20 5 DEBDMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)o1 ZINC000520410433 406289652 /nfs/dbraw/zinc/28/96/52/406289652.db2.gz KZQMWMFVVNLMIZ-KCJUWKMLSA-N -1 1 317.301 2.342 20 5 DEBDMM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525183052 406472248 /nfs/dbraw/zinc/47/22/48/406472248.db2.gz WYMORPBBSCREOA-UWVGGRQHSA-N -1 1 301.368 2.093 20 5 DEBDMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000525601087 406491944 /nfs/dbraw/zinc/49/19/44/406491944.db2.gz LQXPIYHJBLPPQS-GMTAPVOTSA-N -1 1 313.379 2.093 20 5 DEBDMM Cc1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193402736 225160144 /nfs/dbraw/zinc/16/01/44/225160144.db2.gz FFPXYCYNSSBOJX-JTQLQIEISA-N -1 1 301.302 2.495 20 5 DEBDMM O=C(NCc1ccc(Cl)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193405998 225160697 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CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814973941 646953973 /nfs/dbraw/zinc/95/39/73/646953973.db2.gz WKLGNBZWKWQRRY-LURJTMIESA-N -1 1 310.734 2.464 20 5 DEBDMM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814988418 646955376 /nfs/dbraw/zinc/95/53/76/646955376.db2.gz FZCRCONYPGADJX-RQJHMYQMSA-N -1 1 322.745 2.322 20 5 DEBDMM O=c1cc(/C=C/c2cc([N+](=O)[O-])ccc2Cl)nc2nc[n-]n21 ZINC000917394451 647996669 /nfs/dbraw/zinc/99/66/69/647996669.db2.gz UUNMZQUSCVCIEO-OWOJBTEDSA-N -1 1 317.692 2.150 20 5 DEBDMM O=C(NCc1nn[n-]n1)c1c2ccccc2cc2ccccc21 ZINC001153499884 797346495 /nfs/dbraw/zinc/34/64/95/797346495.db2.gz XTTDMVNGKANMRM-UHFFFAOYSA-N -1 1 303.325 2.436 20 5 DEBDMM Nc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])cc1[N+](=O)[O-] ZINC001162290634 799052266 /nfs/dbraw/zinc/05/22/66/799052266.db2.gz DGAXAPKEJGPNBH-UHFFFAOYSA-N -1 1 309.228 2.413 20 5 DEBDMM O=C(Nc1c([O-])cccc1F)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001165752276 799769744 /nfs/dbraw/zinc/76/97/44/799769744.db2.gz YAKDFKPBMDZRNM-CYBMUJFWSA-N -1 1 306.249 2.112 20 5 DEBDMM NC(=O)c1ccnc(Cl)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393093 801389336 /nfs/dbraw/zinc/38/93/36/801389336.db2.gz NPSFCWNZJJVYDM-UHFFFAOYSA-N -1 1 308.681 2.191 20 5 DEBDMM CCOC(=O)c1ccnnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396174 801390719 /nfs/dbraw/zinc/39/07/19/801390719.db2.gz LQQLSGFAILLDCV-UHFFFAOYSA-N -1 1 304.262 2.011 20 5 DEBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@H]3C[C@H](O)C3)c12 ZINC001218365338 802172294 /nfs/dbraw/zinc/17/22/94/802172294.db2.gz CUZONWOUYCWUKX-CZMCAQCFSA-N -1 1 314.293 2.260 20 5 DEBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@H]3C[C@@H](O)C3)c12 ZINC001218424422 802180818 /nfs/dbraw/zinc/18/08/18/802180818.db2.gz WEXDHEDIWZYBFM-JGZJWPJOSA-N -1 1 314.293 2.260 20 5 DEBDMM O=[N+]([O-])c1ccccc1[C@H](OCc1nn[n-]n1)c1ccccc1 ZINC001223027588 802760210 /nfs/dbraw/zinc/76/02/10/802760210.db2.gz QJKIZTLQESWEOK-OAHLLOKOSA-N -1 1 311.301 2.414 20 5 DEBDMM CCOC(=O)[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225662094 802998551 /nfs/dbraw/zinc/99/85/51/802998551.db2.gz QRRGXJBTVQBNKL-CYBMUJFWSA-N -1 1 318.285 2.379 20 5 DEBDMM CCOC(=O)[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225662094 802998555 /nfs/dbraw/zinc/99/85/55/802998555.db2.gz QRRGXJBTVQBNKL-CYBMUJFWSA-N -1 1 318.285 2.379 20 5 DEBDMM CC(C)Oc1ccc(COc2[n-]ccc(=O)c2[N+](=O)[O-])cn1 ZINC001225665600 802999847 /nfs/dbraw/zinc/99/98/47/802999847.db2.gz BZQRTENDRDEKGG-UHFFFAOYSA-N -1 1 305.290 2.457 20 5 DEBDMM O=c1[n-]cnc(O[C@@H]2CCCN(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001228141374 803323903 /nfs/dbraw/zinc/32/39/03/803323903.db2.gz PXKLDONYTDESPX-GFCCVEGCSA-N -1 1 316.317 2.138 20 5 DEBDMM C[C@@H](COCc1ccccc1)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141857 803325530 /nfs/dbraw/zinc/32/55/30/803325530.db2.gz VXXCKMRGUJLDKE-JTQLQIEISA-N -1 1 305.290 2.075 20 5 DEBDMM C[C@H]1CC(O)C[C@H](C)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594264954 999024419 /nfs/dbraw/zinc/02/44/19/999024419.db2.gz AZMYDRFBZHVOEN-UWVGGRQHSA-N -1 1 308.334 2.027 20 5 DEBDMM C[C@@H](c1ccccc1Cl)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001603734871 1070066519 /nfs/dbraw/zinc/06/65/19/1070066519.db2.gz OORHCTJMGQETKI-ZETCQYMHSA-N -1 1 319.712 2.234 20 5 DEBDMM CCC1(CC)CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001604083888 1070202608 /nfs/dbraw/zinc/20/26/08/1070202608.db2.gz AKGWQCNDVVSHKX-UHFFFAOYSA-N -1 1 302.338 2.401 20 5 DEBDMM CC[C@@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@@H]1C ZINC001604105191 1070222059 /nfs/dbraw/zinc/22/20/59/1070222059.db2.gz BRJYDESWQYECEL-HTQZYQBOSA-N -1 1 308.367 2.461 20 5 DEBDMM CC[C@@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@@H]1C ZINC001604105191 1070222074 /nfs/dbraw/zinc/22/20/74/1070222074.db2.gz BRJYDESWQYECEL-HTQZYQBOSA-N -1 1 308.367 2.461 20 5 DEBDMM CCCC[C@@H](COC)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604166425 1070261151 /nfs/dbraw/zinc/26/11/51/1070261151.db2.gz CXHWIVNWKHCEJA-NSHDSACASA-N -1 1 320.353 2.392 20 5 DEBDMM CCCC[C@@H](COC)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604166425 1070261168 /nfs/dbraw/zinc/26/11/68/1070261168.db2.gz CXHWIVNWKHCEJA-NSHDSACASA-N -1 1 320.353 2.392 20 5 DEBDMM Cc1ccc(CNCc2ccc(C(=O)[O-])n2C)cc1[N+](=O)[O-] ZINC001607782009 1071555480 /nfs/dbraw/zinc/55/54/80/1071555480.db2.gz FPZNVACNHGHEGH-UHFFFAOYSA-N -1 1 303.318 2.230 20 5 DEBDMM O=C(NCc1ccc2nc[nH]c2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC001449984273 1056113717 /nfs/dbraw/zinc/11/37/17/1056113717.db2.gz QKXDETVCGJWJGC-UHFFFAOYSA-N -1 1 312.285 2.107 20 5 DEBDMM O=C(Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001570372833 1066038067 /nfs/dbraw/zinc/03/80/67/1066038067.db2.gz WXJSIAOBPJUKGZ-LLVKDONJSA-N -1 1 314.301 2.126 20 5 DEBDMM CC1(C)C[C@@]1(C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001561879545 1075156289 /nfs/dbraw/zinc/15/62/89/1075156289.db2.gz GOIJIWQIVFNRDT-ZDUSSCGKSA-N -1 1 316.354 2.448 20 5 DEBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc([O-])cn1 ZINC001587260199 1076415116 /nfs/dbraw/zinc/41/51/16/1076415116.db2.gz SLEGYUCQXXCDIS-UHFFFAOYSA-N -1 1 315.329 2.448 20 5 DEBDMM C[C@]1(F)CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590142313 1076573155 /nfs/dbraw/zinc/57/31/55/1076573155.db2.gz XRJBIMARVZKOMT-ZDUSSCGKSA-N -1 1 306.301 2.103 20 5 DEBDMM C[C@]1(F)CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590142313 1076573157 /nfs/dbraw/zinc/57/31/57/1076573157.db2.gz XRJBIMARVZKOMT-ZDUSSCGKSA-N -1 1 306.301 2.103 20 5 DEBDMM C[C@@H]1CC(Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC001590210145 1076584802 /nfs/dbraw/zinc/58/48/02/1076584802.db2.gz WINMHPGAUMWUGK-RKDXNWHRSA-N -1 1 318.337 2.143 20 5 DEBDMM C[C@@H]1CC(Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC001590210145 1076584807 /nfs/dbraw/zinc/58/48/07/1076584807.db2.gz WINMHPGAUMWUGK-RKDXNWHRSA-N -1 1 318.337 2.143 20 5 DEBDMM C[C@H]1CCCC[C@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590256082 1076601871 /nfs/dbraw/zinc/60/18/71/1076601871.db2.gz YHLPROJKYJGZIW-QPUJVOFHSA-N -1 1 317.353 2.348 20 5 DEBDMM C[C@H]1CCCC[C@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590256082 1076601873 /nfs/dbraw/zinc/60/18/73/1076601873.db2.gz YHLPROJKYJGZIW-QPUJVOFHSA-N -1 1 317.353 2.348 20 5 DEBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@@H](C)[C@H]1C ZINC001590314906 1076610223 /nfs/dbraw/zinc/61/02/23/1076610223.db2.gz SYUGHYHBQKHLNG-UTLUCORTSA-N -1 1 302.338 2.256 20 5 DEBDMM CC[C@@](C)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])OC ZINC001590381901 1076618504 /nfs/dbraw/zinc/61/85/04/1076618504.db2.gz OJQYSOIPHZEUTL-ZDUSSCGKSA-N -1 1 306.326 2.002 20 5 DEBDMM CC[C@@](C)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])OC ZINC001590381901 1076618507 /nfs/dbraw/zinc/61/85/07/1076618507.db2.gz OJQYSOIPHZEUTL-ZDUSSCGKSA-N -1 1 306.326 2.002 20 5 DEBDMM CO[C@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591361288 1076733738 /nfs/dbraw/zinc/73/37/38/1076733738.db2.gz MSJHWTZOBXGZMT-RNCFNFMXSA-N -1 1 318.337 2.002 20 5 DEBDMM CO[C@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591361288 1076733741 /nfs/dbraw/zinc/73/37/41/1076733741.db2.gz MSJHWTZOBXGZMT-RNCFNFMXSA-N -1 1 318.337 2.002 20 5 DEBDMM COCC1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCC1 ZINC001591389627 1076739073 /nfs/dbraw/zinc/73/90/73/1076739073.db2.gz POEBJASLIDYYJI-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM CSC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001591691205 1076773564 /nfs/dbraw/zinc/77/35/64/1076773564.db2.gz BLCCNOLAMPSSRC-UHFFFAOYSA-N -1 1 306.351 2.082 20 5 DEBDMM CSC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001591691205 1076773566 /nfs/dbraw/zinc/77/35/66/1076773566.db2.gz BLCCNOLAMPSSRC-UHFFFAOYSA-N -1 1 306.351 2.082 20 5 DEBDMM Cc1ncsc1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592426234 1076912202 /nfs/dbraw/zinc/91/22/02/1076912202.db2.gz QFTLZNLYEPUZOD-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM Cc1ncsc1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592426234 1076912207 /nfs/dbraw/zinc/91/22/07/1076912207.db2.gz QFTLZNLYEPUZOD-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM Nc1cc(NCc2ccsc2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759172 1076958212 /nfs/dbraw/zinc/95/82/12/1076958212.db2.gz GOMYXNMAAIEBBW-UHFFFAOYSA-N -1 1 317.334 2.031 20 5 DEBDMM Nc1cc(NCc2ccsc2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759172 1076958216 /nfs/dbraw/zinc/95/82/16/1076958216.db2.gz GOMYXNMAAIEBBW-UHFFFAOYSA-N -1 1 317.334 2.031 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@]2(CC2(F)F)C1 ZINC001593466936 1077006270 /nfs/dbraw/zinc/00/62/70/1077006270.db2.gz QCXBDLPTMGTFJZ-LBPRGKRZSA-N -1 1 322.275 2.010 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@]2(CC2(F)F)C1 ZINC001593466936 1077006275 /nfs/dbraw/zinc/00/62/75/1077006275.db2.gz QCXBDLPTMGTFJZ-LBPRGKRZSA-N -1 1 322.275 2.010 20 5 DEBDMM O=C([O-])C[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001608696567 1077679858 /nfs/dbraw/zinc/67/98/58/1077679858.db2.gz IIKQOMVNFUWJNW-SECBINFHSA-N -1 1 305.290 2.175 20 5 DEBDMM CC[C@@H](C)[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])OC ZINC001609185178 1077789261 /nfs/dbraw/zinc/78/92/61/1077789261.db2.gz BRMFNHHVDRXTIA-SKDRFNHKSA-N -1 1 320.353 2.248 20 5 DEBDMM CC[C@@H](C)[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])OC ZINC001609185178 1077789264 /nfs/dbraw/zinc/78/92/64/1077789264.db2.gz BRMFNHHVDRXTIA-SKDRFNHKSA-N -1 1 320.353 2.248 20 5 DEBDMM O=[N+]([O-])c1cc(NC[C@H]2CCCS2)ccc1-c1nn[n-]n1 ZINC001609601017 1077880971 /nfs/dbraw/zinc/88/09/71/1077880971.db2.gz NOCGCVBGUGZHOW-SECBINFHSA-N -1 1 306.351 2.082 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC001609599813 1077881151 /nfs/dbraw/zinc/88/11/51/1077881151.db2.gz BMFXQQQWNSYZSS-HTRCEHHLSA-N -1 1 314.227 2.138 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC001609599813 1077881154 /nfs/dbraw/zinc/88/11/54/1077881154.db2.gz BMFXQQQWNSYZSS-HTRCEHHLSA-N -1 1 314.227 2.138 20 5 DEBDMM O=[N+]([O-])c1ccc(N2C[C@H]3CCCC[C@@H]3C2)cc1-c1nnn[n-]1 ZINC001609601564 1077882065 /nfs/dbraw/zinc/88/20/65/1077882065.db2.gz NYPLESVMYNHPKY-GHMZBOCLSA-N -1 1 314.349 2.401 20 5 DEBDMM O=[N+]([O-])c1ccc(N2C[C@H]3CCCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC001609601564 1077882067 /nfs/dbraw/zinc/88/20/67/1077882067.db2.gz NYPLESVMYNHPKY-GHMZBOCLSA-N -1 1 314.349 2.401 20 5 DEBDMM CCc1nc(SCCn2c(C)ncc2[N+](=O)[O-])[n-]c(=O)c1C ZINC001652030667 1079847689 /nfs/dbraw/zinc/84/76/89/1079847689.db2.gz PIYOKLQYZCKKQN-UHFFFAOYSA-N -1 1 323.378 2.258 20 5 DEBDMM COc1cc(Cl)cnc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893924 1087757677 /nfs/dbraw/zinc/75/76/77/1087757677.db2.gz FUUHEPRHBXRVNE-UHFFFAOYSA-N -1 1 322.668 2.092 20 5 DEBDMM CC1=CCN(CCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000592972682 357980026 /nfs/dbraw/zinc/98/00/26/357980026.db2.gz OWEUWMJHPHLKEC-UHFFFAOYSA-N -1 1 305.334 2.357 20 5 DEBDMM CN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC000609186081 361287877 /nfs/dbraw/zinc/28/78/77/361287877.db2.gz WJDHQHOLJBFKQG-UHFFFAOYSA-N -1 1 314.301 2.084 20 5 DEBDMM O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000266028891 205039059 /nfs/dbraw/zinc/03/90/59/205039059.db2.gz QZTUVGYHTOWVLW-GFCCVEGCSA-N -1 1 317.301 2.343 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000193682966 296283665 /nfs/dbraw/zinc/28/36/65/296283665.db2.gz DNZSSROEIIXSNF-CMPLNLGQSA-N -1 1 323.374 2.196 20 5 DEBDMM COc1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444855482 533105164 /nfs/dbraw/zinc/10/51/64/533105164.db2.gz ICMVMIPRPMYGIN-SECBINFHSA-N -1 1 317.301 2.195 20 5 DEBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCC1 ZINC000157637829 197203774 /nfs/dbraw/zinc/20/37/74/197203774.db2.gz QJELPASDUUJTHR-QMMMGPOBSA-N -1 1 302.327 2.201 20 5 DEBDMM COC(=O)c1c(C)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340644318 132117355 /nfs/dbraw/zinc/11/73/55/132117355.db2.gz UIBVGXGWCUMCJW-UHFFFAOYSA-N -1 1 303.274 2.270 20 5 DEBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3c[nH]c4ncccc34)no2)[n-]1 ZINC000357142759 147051033 /nfs/dbraw/zinc/05/10/33/147051033.db2.gz CJWYPYGQRWWMCW-UHFFFAOYSA-N -1 1 310.273 2.440 20 5 DEBDMM O=C(NCc1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186737261 402461426 /nfs/dbraw/zinc/46/14/26/402461426.db2.gz SFFKETWINLYBMC-UHFFFAOYSA-N -1 1 307.693 2.279 20 5 DEBDMM O=C(NCCSc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186791787 402464857 /nfs/dbraw/zinc/46/48/57/402464857.db2.gz NOLFFEQMFWVGPC-UHFFFAOYSA-N -1 1 319.342 2.218 20 5 DEBDMM Cc1cccc2c1CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000277443194 403218433 /nfs/dbraw/zinc/21/84/33/403218433.db2.gz FMPINQYLHYUFPW-UHFFFAOYSA-N -1 1 313.313 2.202 20 5 DEBDMM Cc1nn(C)c(Cl)c1Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000277976488 403276319 /nfs/dbraw/zinc/27/63/19/403276319.db2.gz HBXCMFOFIHDJMS-UHFFFAOYSA-N -1 1 322.712 2.259 20 5 DEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](C2CCCC2)C1 ZINC000332081287 403477744 /nfs/dbraw/zinc/47/77/44/403477744.db2.gz LQGCTXDYKJDWGY-LLVKDONJSA-N -1 1 305.334 2.348 20 5 DEBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1NC(C)=O ZINC000343219426 403499144 /nfs/dbraw/zinc/49/91/44/403499144.db2.gz WRWACINOQSKHCY-UHFFFAOYSA-N -1 1 318.289 2.142 20 5 DEBDMM COCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340800956 403657456 /nfs/dbraw/zinc/65/74/56/403657456.db2.gz RKKKFJNOMCQBHR-UHFFFAOYSA-N -1 1 305.290 2.200 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cccnc1 ZINC000369368220 404066104 /nfs/dbraw/zinc/06/61/04/404066104.db2.gz FXTUFEYSTYGDHX-LBPRGKRZSA-N -1 1 314.301 2.068 20 5 DEBDMM C[C@H](CCc1ccco1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000344942763 404460585 /nfs/dbraw/zinc/46/05/85/404460585.db2.gz FVJZREKXKPAUFG-SECBINFHSA-N -1 1 305.290 2.040 20 5 DEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@H](F)C1 ZINC000344944460 404462123 /nfs/dbraw/zinc/46/21/23/404462123.db2.gz OEDKBDHQGXIUJT-DTWKUNHWSA-N -1 1 322.745 2.417 20 5 DEBDMM O=C([O-])[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000516301221 406092428 /nfs/dbraw/zinc/09/24/28/406092428.db2.gz OFEFCCWDQZAOER-NSHDSACASA-N -1 1 317.301 2.156 20 5 DEBDMM O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000195326889 424882837 /nfs/dbraw/zinc/88/28/37/424882837.db2.gz AUSIXUUQWSQCRL-YPMHNXCESA-N -1 1 317.276 2.120 20 5 DEBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccncc1F ZINC000180165343 302051018 /nfs/dbraw/zinc/05/10/18/302051018.db2.gz PIPJLHJBWGMVQX-UHFFFAOYSA-N -1 1 311.294 2.238 20 5 DEBDMM CCCCc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]n1 ZINC000159933605 521263259 /nfs/dbraw/zinc/26/32/59/521263259.db2.gz CEGSEWGOOBYAKS-UHFFFAOYSA-N -1 1 324.362 2.461 20 5 DEBDMM CCN(Cc1occc1C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000412796352 528914644 /nfs/dbraw/zinc/91/46/44/528914644.db2.gz MHUCRWUJPVAXIQ-UHFFFAOYSA-N -1 1 305.290 2.259 20 5 DEBDMM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456327615 535304523 /nfs/dbraw/zinc/30/45/23/535304523.db2.gz JFKNWSLSORSXEJ-DGCLKSJQSA-N -1 1 307.350 2.448 20 5 DEBDMM CC[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000451624101 535806716 /nfs/dbraw/zinc/80/67/16/535806716.db2.gz MGEZWMVYRLEIGM-SNVBAGLBSA-N -1 1 308.306 2.058 20 5 DEBDMM Cc1nn(CN2CCC(C(=O)[O-])CC2)c2ccc([N+](=O)[O-])cc12 ZINC000819029898 597227004 /nfs/dbraw/zinc/22/70/04/597227004.db2.gz LOFSGFLPXXCEFL-UHFFFAOYSA-N -1 1 318.333 2.007 20 5 DEBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCC(=O)[O-])C(C)C ZINC000738664627 600446711 /nfs/dbraw/zinc/44/67/11/600446711.db2.gz IXMDSBDNHQITFV-UHFFFAOYSA-N -1 1 323.349 2.027 20 5 DEBDMM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828214452 600959792 /nfs/dbraw/zinc/95/97/92/600959792.db2.gz NEJZGHVYMUWNPJ-AOOOYVTPSA-N -1 1 321.333 2.104 20 5 DEBDMM CC(C)COCCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000820103034 606644567 /nfs/dbraw/zinc/64/45/67/606644567.db2.gz ODOWUDHBFVDZQQ-UHFFFAOYSA-N -1 1 320.353 2.250 20 5 DEBDMM C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000820709649 606645559 /nfs/dbraw/zinc/64/55/59/606645559.db2.gz KSNJRQWHYASKDJ-JTQLQIEISA-N -1 1 302.338 2.401 20 5 DEBDMM C[C@@H]1CCCC[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820697983 606700881 /nfs/dbraw/zinc/70/08/81/606700881.db2.gz OQAZYBBOCDWMHL-NXEZZACHSA-N -1 1 317.353 2.408 20 5 DEBDMM C[C@@H]1CCCC[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820697983 606700882 /nfs/dbraw/zinc/70/08/82/606700882.db2.gz OQAZYBBOCDWMHL-NXEZZACHSA-N -1 1 317.353 2.408 20 5 DEBDMM Cc1ccc2c(c1)N(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000822280621 606705215 /nfs/dbraw/zinc/70/52/15/606705215.db2.gz UHGXRPYZGFJJDD-UHFFFAOYSA-N -1 1 323.316 2.173 20 5 DEBDMM Cc1ccc2c(c1)N(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000822280621 606705216 /nfs/dbraw/zinc/70/52/16/606705216.db2.gz UHGXRPYZGFJJDD-UHFFFAOYSA-N -1 1 323.316 2.173 20 5 DEBDMM CC(C)C[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820068826 606714811 /nfs/dbraw/zinc/71/48/11/606714811.db2.gz UILMCAWFMHDPGB-SNVBAGLBSA-N -1 1 317.353 2.042 20 5 DEBDMM CC(C)C[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820068826 606714812 /nfs/dbraw/zinc/71/48/12/606714812.db2.gz UILMCAWFMHDPGB-SNVBAGLBSA-N -1 1 317.353 2.042 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1cccc(F)c1 ZINC000823630286 606719175 /nfs/dbraw/zinc/71/91/75/606719175.db2.gz VWZIHFKHUNDVPY-UHFFFAOYSA-N -1 1 318.293 2.460 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1cccc(F)c1 ZINC000823630286 606719177 /nfs/dbraw/zinc/71/91/77/606719177.db2.gz VWZIHFKHUNDVPY-UHFFFAOYSA-N -1 1 318.293 2.460 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(F)c(F)c1 ZINC000823630497 607163980 /nfs/dbraw/zinc/16/39/80/607163980.db2.gz YLXLMZWQAMMHFM-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(F)c(F)c1 ZINC000823630497 607163982 /nfs/dbraw/zinc/16/39/82/607163982.db2.gz YLXLMZWQAMMHFM-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCS1 ZINC000921716866 634806764 /nfs/dbraw/zinc/80/67/64/634806764.db2.gz OXJYXUOAJPZEDZ-HTQZYQBOSA-N -1 1 322.433 2.219 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000047670924 633860121 /nfs/dbraw/zinc/86/01/21/633860121.db2.gz IIFWVTPFZXFGRI-UHFFFAOYSA-N -1 1 316.335 2.274 20 5 DEBDMM Cc1n[n-]cc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000747283436 638426760 /nfs/dbraw/zinc/42/67/60/638426760.db2.gz WXNWADWWGMADKQ-UHFFFAOYSA-N -1 1 317.710 2.047 20 5 DEBDMM O=C(OCCOCC(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780073000 642581560 /nfs/dbraw/zinc/58/15/60/642581560.db2.gz WOAVABRBQZCBOD-UHFFFAOYSA-N -1 1 309.196 2.036 20 5 DEBDMM COc1ccnc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780077349 642582756 /nfs/dbraw/zinc/58/27/56/642582756.db2.gz XDFDEUAEVFOTMN-UHFFFAOYSA-N -1 1 304.258 2.061 20 5 DEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCC[C@@H]23)s1 ZINC000907969203 644708535 /nfs/dbraw/zinc/70/85/35/644708535.db2.gz JSPLNNCLLCFNHN-DJLDLDEBSA-N -1 1 302.377 2.123 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCCF ZINC000812515487 646663235 /nfs/dbraw/zinc/66/32/35/646663235.db2.gz IGPYLDJJRIOMHG-UHFFFAOYSA-N -1 1 310.734 2.276 20 5 DEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CC12CCC2 ZINC000872653486 689057406 /nfs/dbraw/zinc/05/74/06/689057406.db2.gz ULVIXJDSCVPWHF-JTQLQIEISA-N -1 1 316.766 2.469 20 5 DEBDMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000885624006 691922698 /nfs/dbraw/zinc/92/26/98/691922698.db2.gz SFULTCKUZQIMJY-XFWSIPNHSA-N -1 1 316.404 2.227 20 5 DEBDMM Cc1nc([N-]C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n[nH]1 ZINC001439510383 1181117427 /nfs/dbraw/zinc/11/74/27/1181117427.db2.gz JLLYJVVHNKWIMN-UHFFFAOYSA-N -1 1 324.300 2.336 20 5 DEBDMM NCc1nccnc1[N-]c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001160246125 790442752 /nfs/dbraw/zinc/44/27/52/790442752.db2.gz MPNJQIOJQVNEII-UHFFFAOYSA-N -1 1 315.120 2.289 20 5 DEBDMM O=C([O-])c1ccc(Nc2cc(=O)[nH]c(Cl)n2)cc1[N+](=O)[O-] ZINC001174503777 794003331 /nfs/dbraw/zinc/00/33/31/794003331.db2.gz XMKNXSZBKWAQRC-UHFFFAOYSA-N -1 1 310.653 2.186 20 5 DEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](c2ncccn2)C1 ZINC001176524783 794446465 /nfs/dbraw/zinc/44/64/65/794446465.db2.gz UKZZPEDXNUKDHW-NSHDSACASA-N -1 1 300.318 2.080 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)C2CC2)cc1F ZINC001185876931 796332544 /nfs/dbraw/zinc/33/25/44/796332544.db2.gz DJJSCTFDPSBRDN-SECBINFHSA-N -1 1 316.354 2.367 20 5 DEBDMM O=[N+]([O-])C[C@@H](Oc1cccnc1-c1ncccc1[O-])C1CC1 ZINC001231199076 801605411 /nfs/dbraw/zinc/60/54/11/801605411.db2.gz ADVQAEPIHOMAOI-CYBMUJFWSA-N -1 1 301.302 2.283 20 5 DEBDMM CC(C)Oc1cncc(COc2[n-]ccc(=O)c2[N+](=O)[O-])c1 ZINC001225663648 802998594 /nfs/dbraw/zinc/99/85/94/802998594.db2.gz FBNKKSZDTFXZJS-UHFFFAOYSA-N -1 1 305.290 2.457 20 5 DEBDMM CC(C)Oc1ncccc1COc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664101 802999293 /nfs/dbraw/zinc/99/92/93/802999293.db2.gz JQEQUANKHREXIX-UHFFFAOYSA-N -1 1 305.290 2.457 20 5 DEBDMM COc1ccc(OC)c([C@@H](C)Oc2nc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001228140610 803324075 /nfs/dbraw/zinc/32/40/75/803324075.db2.gz KNPDGWXBAMZLGJ-MRVPVSSYSA-N -1 1 321.289 2.248 20 5 DEBDMM CC(=O)N1Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2C1 ZINC001331236933 1149401125 /nfs/dbraw/zinc/40/11/25/1149401125.db2.gz PVYDRPFLBVOVNW-UHFFFAOYSA-N -1 1 314.301 2.037 20 5 DEBDMM O=C([O-])CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC001602051454 971131037 /nfs/dbraw/zinc/13/10/37/971131037.db2.gz OJTMMGOVIDVPQD-UHFFFAOYSA-N -1 1 316.269 2.032 20 5 DEBDMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001589280484 953499330 /nfs/dbraw/zinc/49/93/30/953499330.db2.gz FRSQUZADGHPYEX-NXEZZACHSA-N -1 1 318.333 2.014 20 5 DEBDMM C[C@@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)CC(F)F ZINC001603553062 1069986330 /nfs/dbraw/zinc/98/63/30/1069986330.db2.gz LOJTVBJYQQKXQA-SSDOTTSWSA-N -1 1 312.280 2.478 20 5 DEBDMM C[C@@H]1SCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603955627 1070158475 /nfs/dbraw/zinc/15/84/75/1070158475.db2.gz KXAHRYYIOFMIEN-OIBJUYFYSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@@H]1SCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603955627 1070158486 /nfs/dbraw/zinc/15/84/86/1070158486.db2.gz KXAHRYYIOFMIEN-OIBJUYFYSA-N -1 1 306.351 2.081 20 5 DEBDMM CO[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001605009164 1070567354 /nfs/dbraw/zinc/56/73/54/1070567354.db2.gz PRVBYSWOWWMFQE-LBPRGKRZSA-N -1 1 320.353 2.248 20 5 DEBDMM CO[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001605009164 1070567369 /nfs/dbraw/zinc/56/73/69/1070567369.db2.gz PRVBYSWOWWMFQE-LBPRGKRZSA-N -1 1 320.353 2.248 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]3CCC[C@H]32)cccc1-c1nnn[n-]1 ZINC001607078131 1071287780 /nfs/dbraw/zinc/28/77/80/1071287780.db2.gz LCLBHKMNOBHGCT-KBVBSXBZSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]3CCC[C@H]32)cccc1-c1nn[n-]n1 ZINC001607078131 1071287787 /nfs/dbraw/zinc/28/77/87/1071287787.db2.gz 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ZINC001582801774 1076185215 /nfs/dbraw/zinc/18/52/15/1076185215.db2.gz DNJHBNKJYPUFIT-UHFFFAOYSA-N -1 1 314.305 2.413 20 5 DEBDMM O=[N+]([O-])c1c(NCCCc2ccco2)cccc1-c1nn[n-]n1 ZINC001582801774 1076185218 /nfs/dbraw/zinc/18/52/18/1076185218.db2.gz DNJHBNKJYPUFIT-UHFFFAOYSA-N -1 1 314.305 2.413 20 5 DEBDMM CC1(C)SC[C@@H]1Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590116848 1076567585 /nfs/dbraw/zinc/56/75/85/1076567585.db2.gz GEIURFZQSZBCEI-VIFPVBQESA-N -1 1 306.351 2.081 20 5 DEBDMM CC1(C)SC[C@@H]1Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590116848 1076567592 /nfs/dbraw/zinc/56/75/92/1076567592.db2.gz GEIURFZQSZBCEI-VIFPVBQESA-N -1 1 306.351 2.081 20 5 DEBDMM CCO[C@@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590820112 1076680705 /nfs/dbraw/zinc/68/07/05/1076680705.db2.gz KLEZSSRDNXJFKV-VXNVDRBHSA-N -1 1 324.366 2.206 20 5 DEBDMM CCO[C@@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590820112 1076680708 /nfs/dbraw/zinc/68/07/08/1076680708.db2.gz KLEZSSRDNXJFKV-VXNVDRBHSA-N 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ZINC001593468314 1077006041 /nfs/dbraw/zinc/00/60/41/1077006041.db2.gz CWNGVWHPXAAIPN-UHFFFAOYSA-N -1 1 322.235 2.110 20 5 DEBDMM O=[N+]([O-])c1c(Nc2cnn(C(F)F)c2)cccc1-c1nn[n-]n1 ZINC001593468314 1077006045 /nfs/dbraw/zinc/00/60/45/1077006045.db2.gz CWNGVWHPXAAIPN-UHFFFAOYSA-N -1 1 322.235 2.110 20 5 DEBDMM CO[C@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609332890 1077835273 /nfs/dbraw/zinc/83/52/73/1077835273.db2.gz VERJOXMEGBBFIX-AAEUAGOBSA-N -1 1 318.337 2.144 20 5 DEBDMM Nc1cc(NCCC2(F)CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511096 1077872060 /nfs/dbraw/zinc/87/20/60/1077872060.db2.gz XEORTBYFTKLVSR-UHFFFAOYSA-N -1 1 321.316 2.051 20 5 DEBDMM Nc1cc(NCCC2(F)CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511096 1077872061 /nfs/dbraw/zinc/87/20/61/1077872061.db2.gz XEORTBYFTKLVSR-UHFFFAOYSA-N -1 1 321.316 2.051 20 5 DEBDMM O=[N+]([O-])c1cc(S[C@@H]2CCCOC2)ccc1-c1nnn[n-]1 ZINC001609600724 1077880894 /nfs/dbraw/zinc/88/08/94/1077880894.db2.gz AURXUPBUMAZDCW-SECBINFHSA-N 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ZINC000272689044 210095361 /nfs/dbraw/zinc/09/53/61/210095361.db2.gz PYOKKJLHBSCGRZ-QMMMGPOBSA-N -1 1 319.321 2.033 20 5 DEBDMM O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436512796 304016925 /nfs/dbraw/zinc/01/69/25/304016925.db2.gz KTDCXRWWAFWOJZ-UHFFFAOYSA-N -1 1 316.195 2.295 20 5 DEBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1[O-] ZINC000080000673 355341144 /nfs/dbraw/zinc/34/11/44/355341144.db2.gz UCJRNVGUERQCKJ-UHFFFAOYSA-N -1 1 319.292 2.281 20 5 DEBDMM CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CCCCC1 ZINC000598777222 359325084 /nfs/dbraw/zinc/32/50/84/359325084.db2.gz SPCFMRQGHOSYJC-ZDUSSCGKSA-N -1 1 323.349 2.021 20 5 DEBDMM O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000428179774 237098858 /nfs/dbraw/zinc/09/88/58/237098858.db2.gz XRNRXZAQQOSIRV-UHFFFAOYSA-N -1 1 318.264 2.199 20 5 DEBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610261358 361376058 /nfs/dbraw/zinc/37/60/58/361376058.db2.gz VUNGCBJUZTVFTO-NSHDSACASA-N -1 1 321.358 2.338 20 5 DEBDMM Cc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1F ZINC000447633836 239060533 /nfs/dbraw/zinc/06/05/33/239060533.db2.gz HEUDITMVJNEPNI-UHFFFAOYSA-N -1 1 319.292 2.415 20 5 DEBDMM O=C(NC1CC(c2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275057459 212097279 /nfs/dbraw/zinc/09/72/79/212097279.db2.gz YFZCXJRCNVLICG-UHFFFAOYSA-N -1 1 313.313 2.371 20 5 DEBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc([O-])cc1F ZINC000154818466 291595361 /nfs/dbraw/zinc/59/53/61/291595361.db2.gz CCOUVHAJOUYZEU-UHFFFAOYSA-N -1 1 304.277 2.412 20 5 DEBDMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000057102989 184027303 /nfs/dbraw/zinc/02/73/03/184027303.db2.gz JRVISDNYEGQWOW-DTWKUNHWSA-N -1 1 304.343 2.447 20 5 DEBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cn4ccccc4n3)no2)[n-]1 ZINC000355677708 133041717 /nfs/dbraw/zinc/04/17/17/133041717.db2.gz WGDYATONKXPFCQ-UHFFFAOYSA-N -1 1 310.273 2.211 20 5 DEBDMM COC(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000356047813 133062816 /nfs/dbraw/zinc/06/28/16/133062816.db2.gz ZGTURONUINHCLS-UHFFFAOYSA-N -1 1 314.257 2.427 20 5 DEBDMM CN(C)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cn1 ZINC000356243545 133073866 /nfs/dbraw/zinc/07/38/66/133073866.db2.gz YKABRABFXZKWRC-UHFFFAOYSA-N -1 1 300.278 2.101 20 5 DEBDMM O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187030047 144993620 /nfs/dbraw/zinc/99/36/20/144993620.db2.gz JUSALPNWXLWDPZ-HBNTYKKESA-N -1 1 305.334 2.252 20 5 DEBDMM CCN(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187542001 145000557 /nfs/dbraw/zinc/00/05/57/145000557.db2.gz QUZKGHVMEKDUDD-UHFFFAOYSA-N -1 1 301.302 2.358 20 5 DEBDMM CS[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(C)(C)C ZINC000346069448 146009467 /nfs/dbraw/zinc/00/94/67/146009467.db2.gz ROXXRRUZAKYLFU-SNVBAGLBSA-N -1 1 313.379 2.203 20 5 DEBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c([O-])cccc1F ZINC000131835125 401857312 /nfs/dbraw/zinc/85/73/12/401857312.db2.gz NNHVUIMJAUEGER-UHFFFAOYSA-N -1 1 320.276 2.378 20 5 DEBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000135040308 401925168 /nfs/dbraw/zinc/92/51/68/401925168.db2.gz YILPFTCNHSRTFC-UHFFFAOYSA-N -1 1 310.335 2.044 20 5 DEBDMM CC(C)n1c(CNC(=O)c2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000066639840 402138646 /nfs/dbraw/zinc/13/86/46/402138646.db2.gz QBLULFUNCVMXBJ-UHFFFAOYSA-N -1 1 321.362 2.360 20 5 DEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000186757493 402462179 /nfs/dbraw/zinc/46/21/79/402462179.db2.gz ADFFGKPMWUDPAG-ZETCQYMHSA-N -1 1 323.255 2.465 20 5 DEBDMM Cc1nn(C)c(C(=O)Nc2cc(Cl)ccc2[O-])c1[N+](=O)[O-] ZINC000179458458 402590464 /nfs/dbraw/zinc/59/04/64/402590464.db2.gz BGNOOKVTPOYGMG-UHFFFAOYSA-N -1 1 310.697 2.248 20 5 DEBDMM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000278137027 402858642 /nfs/dbraw/zinc/85/86/42/402858642.db2.gz VLPBPDIRDLWPRV-CMPLNLGQSA-N -1 1 323.349 2.019 20 5 DEBDMM CCCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000343058202 403447570 /nfs/dbraw/zinc/44/75/70/403447570.db2.gz LRNHYLIDVIYHDE-UHFFFAOYSA-N -1 1 316.317 2.315 20 5 DEBDMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000351402127 404577072 /nfs/dbraw/zinc/57/70/72/404577072.db2.gz WSLDKKMKTGTMHN-AWEZNQCLSA-N -1 1 313.313 2.421 20 5 DEBDMM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000356700385 404660753 /nfs/dbraw/zinc/66/07/53/404660753.db2.gz LMKXWZVXMXVJOU-SSDOTTSWSA-N -1 1 312.269 2.072 20 5 DEBDMM COc1cccc(C(=O)Nc2nc(C)ccc2[O-])c1[N+](=O)[O-] ZINC000445164466 405347287 /nfs/dbraw/zinc/34/72/87/405347287.db2.gz WUCUBVWNORUHCZ-UHFFFAOYSA-N -1 1 303.274 2.265 20 5 DEBDMM Cn1cnc([N-]C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 ZINC000558352159 405650614 /nfs/dbraw/zinc/65/06/14/405650614.db2.gz JWSJXVRDRILDJX-UHFFFAOYSA-N -1 1 324.300 2.038 20 5 DEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000525175123 406472239 /nfs/dbraw/zinc/47/22/39/406472239.db2.gz TXIPAWRKXDNJSG-JTQLQIEISA-N -1 1 307.331 2.029 20 5 DEBDMM CCC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCC1 ZINC000582289875 336889310 /nfs/dbraw/zinc/88/93/10/336889310.db2.gz FSQWRZMFSFAOFE-NSHDSACASA-N -1 1 313.379 2.237 20 5 DEBDMM Cc1nn(CN2CCC(C(=O)[O-])CC2)c2cc([N+](=O)[O-])ccc12 ZINC000821216450 597465237 /nfs/dbraw/zinc/46/52/37/597465237.db2.gz AOBIQMDMCZJHTB-UHFFFAOYSA-N -1 1 318.333 2.007 20 5 DEBDMM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCCCN1C(=O)[O-] ZINC000825601770 604117199 /nfs/dbraw/zinc/11/71/99/604117199.db2.gz CAHUDYYMVPIGHS-WPRPVWTQSA-N -1 1 311.294 2.001 20 5 DEBDMM O=C([O-])N1CCC[C@H](CN2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000834097586 605331531 /nfs/dbraw/zinc/33/15/31/605331531.db2.gz BDBPQCMYPZBDCS-GFCCVEGCSA-N -1 1 319.361 2.343 20 5 DEBDMM Cc1cccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC000822304371 606645699 /nfs/dbraw/zinc/64/56/99/606645699.db2.gz VRIRTMJNPQWYHP-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM C[C@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000820650066 606711976 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O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CCCCCCC1 ZINC000741755182 633207981 /nfs/dbraw/zinc/20/79/81/633207981.db2.gz LKZMXXAMESRAKE-UHFFFAOYSA-N -1 1 313.379 2.381 20 5 DEBDMM O=C([O-])[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000903605940 643398713 /nfs/dbraw/zinc/39/87/13/643398713.db2.gz GFJLKKPJMVLKIU-JHJVBQTASA-N -1 1 305.334 2.065 20 5 DEBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCC1CC1 ZINC000815020792 646957265 /nfs/dbraw/zinc/95/72/65/646957265.db2.gz HXCRGZIJYZSFOJ-UHFFFAOYSA-N -1 1 322.745 2.466 20 5 DEBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000918019491 648050240 /nfs/dbraw/zinc/05/02/40/648050240.db2.gz WMFUZHYWQPQFPO-UHFFFAOYSA-N -1 1 302.246 2.034 20 5 DEBDMM C[C@@]1(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@]1(F)Cl ZINC000846658080 651343583 /nfs/dbraw/zinc/34/35/83/651343583.db2.gz IXXZBAYOADCXOA-VXGBXAGGSA-N -1 1 317.704 2.130 20 5 DEBDMM CC(C)(C)n1nnc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)n1 ZINC000857617042 652146206 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COC(=O)[C@H]1CC[C@@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])CC1 ZINC001231263840 801620570 /nfs/dbraw/zinc/62/05/70/801620570.db2.gz MZSKIQLBRZFUGO-AOOOYVTPSA-N -1 1 310.306 2.114 20 5 DEBDMM O=C1OCCC[C@@H]1Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233501176 802135890 /nfs/dbraw/zinc/13/58/90/802135890.db2.gz XFPRMTDWJBSKFK-JTQLQIEISA-N -1 1 311.681 2.209 20 5 DEBDMM O=C1CC(Oc2cc3c(=O)c4c(O)cccc4oc3cc2[O-])C1 ZINC001227311163 803229276 /nfs/dbraw/zinc/22/92/76/803229276.db2.gz YQCBWWJZSLYIMT-UHFFFAOYSA-N -1 1 312.277 2.468 20 5 DEBDMM C[C@@H](COc1nc[n-]c(=O)c1[N+](=O)[O-])OCc1ccccc1 ZINC001228141519 803323944 /nfs/dbraw/zinc/32/39/44/803323944.db2.gz RLDXYJANJBQRGY-JTQLQIEISA-N -1 1 305.290 2.075 20 5 DEBDMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001589280491 953501409 /nfs/dbraw/zinc/50/14/09/953501409.db2.gz FRSQUZADGHPYEX-ZJUUUORDSA-N -1 1 318.333 2.014 20 5 DEBDMM CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001588657112 960416423 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2.144 20 5 DEBDMM C[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001603849985 1070121609 /nfs/dbraw/zinc/12/16/09/1070121609.db2.gz AVRJJFJWWUKBRI-VHSXEESVSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@H]1CC(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001603860355 1070123535 /nfs/dbraw/zinc/12/35/35/1070123535.db2.gz CGYCANWZYRCELK-RNFRBKRXSA-N -1 1 324.366 2.204 20 5 DEBDMM C[C@@H]1CC(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001603860355 1070123539 /nfs/dbraw/zinc/12/35/39/1070123539.db2.gz CGYCANWZYRCELK-RNFRBKRXSA-N -1 1 324.366 2.204 20 5 DEBDMM C[C@@H]1SCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@H]1C ZINC001603954498 1070158239 /nfs/dbraw/zinc/15/82/39/1070158239.db2.gz DBEGAAXKJLXVMO-IUCAKERBSA-N -1 1 320.378 2.105 20 5 DEBDMM CC1(C)CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCCO1 ZINC001604546411 1070430440 /nfs/dbraw/zinc/43/04/40/1070430440.db2.gz SVMNVXWDIKRCEZ-UHFFFAOYSA-N -1 1 308.334 2.294 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC2(C1)CCCC2 ZINC001607075983 1071287661 /nfs/dbraw/zinc/28/76/61/1071287661.db2.gz DIAJFCFUHDUYQY-UHFFFAOYSA-N -1 1 300.322 2.155 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC2(C1)CCCC2 ZINC001607075983 1071287669 /nfs/dbraw/zinc/28/76/69/1071287669.db2.gz DIAJFCFUHDUYQY-UHFFFAOYSA-N -1 1 300.322 2.155 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2c2ccco2)cccc1-c1nnn[n-]1 ZINC001607078262 1071288941 /nfs/dbraw/zinc/28/89/41/1071288941.db2.gz QXAZATQRPJXHTB-MWLCHTKSSA-N -1 1 312.289 2.336 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]2c2ccco2)cccc1-c1nn[n-]n1 ZINC001607078262 1071288948 /nfs/dbraw/zinc/28/89/48/1071288948.db2.gz QXAZATQRPJXHTB-MWLCHTKSSA-N -1 1 312.289 2.336 20 5 DEBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H](C3CC3)C2)cc1-c1nnn[n-]1 ZINC001607081862 1071291359 /nfs/dbraw/zinc/29/13/59/1071291359.db2.gz POUNSNWCGWVNGM-LLVKDONJSA-N -1 1 314.349 2.401 20 5 DEBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H](C3CC3)C2)cc1-c1nn[n-]n1 ZINC001607081862 1071291368 /nfs/dbraw/zinc/29/13/68/1071291368.db2.gz 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Cc1c(NCc2ccnc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826242290 607546042 /nfs/dbraw/zinc/54/60/42/607546042.db2.gz ISEYFUDVFGBGJZ-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM CC1(C)C(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(C)C ZINC000820585837 606714772 /nfs/dbraw/zinc/71/47/72/606714772.db2.gz QHOWBFZJXYOVKP-UHFFFAOYSA-N -1 1 303.326 2.016 20 5 DEBDMM CC1(C)C(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(C)C ZINC000820585837 606714773 /nfs/dbraw/zinc/71/47/73/606714773.db2.gz QHOWBFZJXYOVKP-UHFFFAOYSA-N -1 1 303.326 2.016 20 5 DEBDMM C[C@@H]1CCCC[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820702893 607160625 /nfs/dbraw/zinc/16/06/25/607160625.db2.gz BBULNPAAVUQERH-PSASIEDQSA-N -1 1 303.326 2.161 20 5 DEBDMM C[C@@H]1CCCC[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820702893 607160627 /nfs/dbraw/zinc/16/06/27/607160627.db2.gz BBULNPAAVUQERH-PSASIEDQSA-N -1 1 303.326 2.161 20 5 DEBDMM O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)cc1-c1nnn[n-]1 ZINC000826499038 607839786 /nfs/dbraw/zinc/83/97/86/607839786.db2.gz SRPXADLVWDOZRE-UHFFFAOYSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)cc1-c1nn[n-]n1 ZINC000826499038 607839787 /nfs/dbraw/zinc/83/97/87/607839787.db2.gz SRPXADLVWDOZRE-UHFFFAOYSA-N -1 1 300.322 2.375 20 5 DEBDMM Cc1cccc(OCc2ccnc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000826299920 607862990 /nfs/dbraw/zinc/86/29/90/607862990.db2.gz BAMWZQYZBYMABX-UHFFFAOYSA-N -1 1 312.289 2.057 20 5 DEBDMM Cc1cccc(OCc2ccnc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826299920 607862991 /nfs/dbraw/zinc/86/29/91/607862991.db2.gz BAMWZQYZBYMABX-UHFFFAOYSA-N -1 1 312.289 2.057 20 5 DEBDMM O=C([N-]c1cc(-c2ccccc2F)no1)c1n[nH]cc1[N+](=O)[O-] ZINC000764142635 640610713 /nfs/dbraw/zinc/61/07/13/640610713.db2.gz IRQNBAXISBMWKL-UHFFFAOYSA-N -1 1 317.236 2.364 20 5 DEBDMM Cn1ncc2c1nc(Oc1cc(Cl)ccc1[N+](=O)[O-])[n-]c2=O ZINC000771141600 641472031 /nfs/dbraw/zinc/47/20/31/641472031.db2.gz KLXITMCIGAMZLY-UHFFFAOYSA-N -1 1 321.680 2.423 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=CC12CCCCC2 ZINC000912474235 646084028 /nfs/dbraw/zinc/08/40/28/646084028.db2.gz MWXCWDBJDLONSU-UHFFFAOYSA-N -1 1 303.318 2.410 20 5 DEBDMM Cc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000119326001 684079674 /nfs/dbraw/zinc/07/96/74/684079674.db2.gz DPXUVPUBASOTJZ-UHFFFAOYSA-N -1 1 312.372 2.443 20 5 DEBDMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000881459549 691101891 /nfs/dbraw/zinc/10/18/91/691101891.db2.gz CCLYBJPNYJAVAP-LLVKDONJSA-N -1 1 319.239 2.110 20 5 DEBDMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000885624005 691922830 /nfs/dbraw/zinc/92/28/30/691922830.db2.gz SFULTCKUZQIMJY-KATARQTJSA-N -1 1 316.404 2.227 20 5 DEBDMM CCOc1cc([N-]S(=O)(=O)CCCCF)ccc1[N+](=O)[O-] ZINC000903180824 693027433 /nfs/dbraw/zinc/02/74/33/693027433.db2.gz KJUDIGGUQCENMW-UHFFFAOYSA-N -1 1 320.342 2.485 20 5 DEBDMM CCc1nc[nH]c1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446829475 1184562361 /nfs/dbraw/zinc/56/23/61/1184562361.db2.gz OENPKFYJNACKFT-UHFFFAOYSA-N -1 1 310.697 2.492 20 5 DEBDMM CN(C)c1nc(Nc2cccc([N+](=O)[O-])c2)c(N=O)c(=O)[n-]1 ZINC001204440107 776703467 /nfs/dbraw/zinc/70/34/67/776703467.db2.gz RPFVWFOUHTWGQE-UHFFFAOYSA-N -1 1 304.266 2.298 20 5 DEBDMM Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001154105538 797464068 /nfs/dbraw/zinc/46/40/68/797464068.db2.gz GMONIYDBSYZGFN-UHFFFAOYSA-N -1 1 321.720 2.466 20 5 DEBDMM C[C@H](CON)Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229805365 801323492 /nfs/dbraw/zinc/32/34/92/801323492.db2.gz LGKHPPXBCKEZCL-MRVPVSSYSA-N -1 1 317.297 2.015 20 5 DEBDMM CC(=O)c1ccc([O-])cc1O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001225618450 802991488 /nfs/dbraw/zinc/99/14/88/802991488.db2.gz FFMXVNZTFVHKLX-VIFPVBQESA-N -1 1 319.317 2.475 20 5 DEBDMM O=c1cc[n-]c(OC[C@@H]2CCc3ccccc3O2)c1[N+](=O)[O-] ZINC001225659957 802998424 /nfs/dbraw/zinc/99/84/24/802998424.db2.gz AVBVZXFOWMIADM-NSHDSACASA-N -1 1 302.286 2.468 20 5 DEBDMM COC(=O)CC1CCC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225664523 802999267 /nfs/dbraw/zinc/99/92/67/802999267.db2.gz PZNRMILPESEYNM-UHFFFAOYSA-N -1 1 310.306 2.196 20 5 DEBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cccc(N(C)C)c1 ZINC001228140091 803324170 /nfs/dbraw/zinc/32/41/70/803324170.db2.gz FSGBZAQIMMQELK-SECBINFHSA-N -1 1 304.306 2.296 20 5 DEBDMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001589308155 953763898 /nfs/dbraw/zinc/76/38/98/953763898.db2.gz ITGXRUJTNWMBDC-VHSXEESVSA-N -1 1 318.333 2.156 20 5 DEBDMM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc[nH]1 ZINC001593298204 994710801 /nfs/dbraw/zinc/71/08/01/994710801.db2.gz FLWXKESERGZOKZ-SNVBAGLBSA-N -1 1 319.317 2.237 20 5 DEBDMM COc1cc(CN2CCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001599407872 997360005 /nfs/dbraw/zinc/36/00/05/997360005.db2.gz SSHCDHIBGGTVPW-LLVKDONJSA-N -1 1 312.297 2.182 20 5 DEBDMM C[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCCO1 ZINC001603806860 1070108535 /nfs/dbraw/zinc/10/85/35/1070108535.db2.gz KNNFFXKKDODHPT-AWEZNQCLSA-N -1 1 318.337 2.146 20 5 DEBDMM C[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCCCO1 ZINC001603806860 1070108546 /nfs/dbraw/zinc/10/85/46/1070108546.db2.gz KNNFFXKKDODHPT-AWEZNQCLSA-N -1 1 318.337 2.146 20 5 DEBDMM CC(C)N1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001603894531 1070142409 /nfs/dbraw/zinc/14/24/09/1070142409.db2.gz JZQFFKVDZXXANZ-ZDUSSCGKSA-N -1 1 321.333 2.104 20 5 DEBDMM O=C(NCC[C@@H]1CCCC1(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001457984196 1058039800 /nfs/dbraw/zinc/03/98/00/1058039800.db2.gz LZTPCXYPDPTBOD-QMMMGPOBSA-N -1 1 315.276 2.251 20 5 DEBDMM CCOC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)sc1C ZINC001470936797 1060164724 /nfs/dbraw/zinc/16/47/24/1060164724.db2.gz PYHKTWLENFUDDZ-UHFFFAOYSA-N -1 1 324.318 2.117 20 5 DEBDMM Cc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1C ZINC001472595097 1060550535 /nfs/dbraw/zinc/55/05/35/1060550535.db2.gz BRFFRMHJTFVXJL-UHFFFAOYSA-N -1 1 315.329 2.285 20 5 DEBDMM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1[O-] ZINC001635720566 1078456624 /nfs/dbraw/zinc/45/66/24/1078456624.db2.gz CALPSCQIIHQIGD-UHFFFAOYSA-N -1 1 306.249 2.457 20 5 DEBDMM O=C(Oc1cccc2c1OCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001639939089 1078633886 /nfs/dbraw/zinc/63/38/86/1078633886.db2.gz REBMQLPWNDQWAI-UHFFFAOYSA-N -1 1 316.269 2.240 20 5 DEBDMM C[S@@](=N)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC001556986214 1075052276 /nfs/dbraw/zinc/05/22/76/1075052276.db2.gz NZVWKBXYORZRLZ-OAQYLSRUSA-N -1 1 308.319 2.211 20 5 DEBDMM C/C(=C/Cl)CSc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001588767511 1076463176 /nfs/dbraw/zinc/46/31/76/1076463176.db2.gz ACOJYWHNMLOBEM-XQRVVYSFSA-N -1 1 312.742 2.405 20 5 DEBDMM C/C(=C/Cl)CSc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001588767511 1076463179 /nfs/dbraw/zinc/46/31/79/1076463179.db2.gz ACOJYWHNMLOBEM-XQRVVYSFSA-N -1 1 312.742 2.405 20 5 DEBDMM C[C@H](C[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589803884 1076518031 /nfs/dbraw/zinc/51/80/31/1076518031.db2.gz VGDGTQSYLRZATF-ZJUUUORDSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@H](C[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589803884 1076518033 /nfs/dbraw/zinc/51/80/33/1076518033.db2.gz VGDGTQSYLRZATF-ZJUUUORDSA-N -1 1 318.337 2.002 20 5 DEBDMM CC1(C)[C@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(F)F ZINC001590075924 1076556261 /nfs/dbraw/zinc/55/62/61/1076556261.db2.gz FRERSPSZOFKGFH-VIFPVBQESA-N -1 1 324.291 2.478 20 5 DEBDMM CC1(C)[C@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(F)F ZINC001590075924 1076556265 /nfs/dbraw/zinc/55/62/65/1076556265.db2.gz FRERSPSZOFKGFH-VIFPVBQESA-N -1 1 324.291 2.478 20 5 DEBDMM O=[N+]([O-])c1cc(N2CCC(CCF)CC2)ccc1-c1nn[n-]n1 ZINC001593472107 1077006651 /nfs/dbraw/zinc/00/66/51/1077006651.db2.gz VFSKUKDSTURNTF-UHFFFAOYSA-N -1 1 320.328 2.351 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2CCCC[C@@H]2F)cccc1-c1nnn[n-]1 ZINC001593469499 1077007018 /nfs/dbraw/zinc/00/70/18/1077007018.db2.gz SWUISARNQGWFIP-VHSXEESVSA-N -1 1 306.301 2.468 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2CCCC[C@@H]2F)cccc1-c1nn[n-]n1 ZINC001593469499 1077007021 /nfs/dbraw/zinc/00/70/21/1077007021.db2.gz SWUISARNQGWFIP-VHSXEESVSA-N -1 1 306.301 2.468 20 5 DEBDMM Cc1oc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001608050392 1077585235 /nfs/dbraw/zinc/58/52/35/1077585235.db2.gz FYNJAIAATITYDA-CQSZACIVSA-N -1 1 320.301 2.018 20 5 DEBDMM Cc1occc1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001608056681 1077585985 /nfs/dbraw/zinc/58/59/85/1077585985.db2.gz QGVISRYSKGYUKC-UHFFFAOYSA-N -1 1 320.301 2.249 20 5 DEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(CCCO)CC2)c1 ZINC001608914433 1077720453 /nfs/dbraw/zinc/72/04/53/1077720453.db2.gz QPYKFUSWCSHQNX-UHFFFAOYSA-N -1 1 322.361 2.278 20 5 DEBDMM CC(C)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609090884 1077758566 /nfs/dbraw/zinc/75/85/66/1077758566.db2.gz HXPYXNVHOGTEBY-JTQLQIEISA-N -1 1 317.353 2.042 20 5 DEBDMM CC(C)[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609090884 1077758569 /nfs/dbraw/zinc/75/85/69/1077758569.db2.gz HXPYXNVHOGTEBY-JTQLQIEISA-N -1 1 317.353 2.042 20 5 DEBDMM COCCC(C)(C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609321321 1077832714 /nfs/dbraw/zinc/83/27/14/1077832714.db2.gz WKCPQVXFPJRMHU-UHFFFAOYSA-N -1 1 306.326 2.002 20 5 DEBDMM Cc1cc(Oc2ccncc2-c2nn[n-]n2)c(F)cc1[N+](=O)[O-] ZINC001609411542 1077853468 /nfs/dbraw/zinc/85/34/68/1077853468.db2.gz NBTRCXSFKUVESX-UHFFFAOYSA-N -1 1 316.252 2.410 20 5 DEBDMM O=[N+]([O-])c1c(NC[C@@H]2CCCS2)cccc1-c1nnn[n-]1 ZINC001609599827 1077881324 /nfs/dbraw/zinc/88/13/24/1077881324.db2.gz CPDAFAXUWQASTG-QMMMGPOBSA-N -1 1 306.351 2.082 20 5 DEBDMM O=[N+]([O-])c1c(NC[C@@H]2CCCS2)cccc1-c1nn[n-]n1 ZINC001609599827 1077881329 /nfs/dbraw/zinc/88/13/29/1077881329.db2.gz CPDAFAXUWQASTG-QMMMGPOBSA-N -1 1 306.351 2.082 20 5 DEBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CCCSC2)cc1-c1nnn[n-]1 ZINC001609601917 1077882563 /nfs/dbraw/zinc/88/25/63/1077882563.db2.gz HZFDJBZEQFUCEU-VIFPVBQESA-N -1 1 320.378 2.330 20 5 DEBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CCCSC2)cc1-c1nn[n-]n1 ZINC001609601917 1077882565 /nfs/dbraw/zinc/88/25/65/1077882565.db2.gz HZFDJBZEQFUCEU-VIFPVBQESA-N -1 1 320.378 2.330 20 5 DEBDMM Cc1cc(C)cc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC001656131198 1080053282 /nfs/dbraw/zinc/05/32/82/1080053282.db2.gz SVKVSNFDZDRKGT-UHFFFAOYSA-N -1 1 321.358 2.085 20 5 DEBDMM C=C/C=C\CC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001665261746 1081006053 /nfs/dbraw/zinc/00/60/53/1081006053.db2.gz GGBVZDJHTLUGCU-PLNGDYQASA-N -1 1 314.338 2.453 20 5 DEBDMM COc1ccc(F)cc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893358 1087755418 /nfs/dbraw/zinc/75/54/18/1087755418.db2.gz ZOEGFNSLHRETNF-UHFFFAOYSA-N -1 1 305.225 2.183 20 5 DEBDMM COc1c(F)cc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cc1F ZINC001212893362 1087757195 /nfs/dbraw/zinc/75/71/95/1087757195.db2.gz ZRXVDGHAVZMQPD-UHFFFAOYSA-N -1 1 323.215 2.322 20 5 DEBDMM O=C(NCc1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001298222200 1140013566 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/nfs/dbraw/zinc/59/51/81/1060595181.db2.gz IWDUCKAKHNQMTE-UHFFFAOYSA-N -1 1 317.305 2.053 20 5 DEBDMM O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001638810548 1078580869 /nfs/dbraw/zinc/58/08/69/1078580869.db2.gz KCXFYPHCMZRGPH-SWLSCSKDSA-N -1 1 317.276 2.063 20 5 DEBDMM COc1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC001642987197 1078779409 /nfs/dbraw/zinc/77/94/09/1078779409.db2.gz ODNYEIIEINWBNR-UHFFFAOYSA-N -1 1 320.286 2.453 20 5 DEBDMM Cc1ccnc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001581278814 1076061710 /nfs/dbraw/zinc/06/17/10/1076061710.db2.gz GEIRKNBTTHCBPY-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1ccnc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001581278814 1076061714 /nfs/dbraw/zinc/06/17/14/1076061714.db2.gz GEIRKNBTTHCBPY-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM O=[N+]([O-])c1cccnc1Sc1cccc(F)c1-c1nn[n-]n1 ZINC001582804971 1076185497 /nfs/dbraw/zinc/18/54/97/1076185497.db2.gz TYJYSWOPQFRHEE-UHFFFAOYSA-N -1 1 318.293 2.460 20 5 DEBDMM CC(C)[C@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001589508677 1076495241 /nfs/dbraw/zinc/49/52/41/1076495241.db2.gz FQTKCHQRKAMVCV-JTQLQIEISA-N -1 1 302.338 2.257 20 5 DEBDMM CC(C)[C@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001589508677 1076495244 /nfs/dbraw/zinc/49/52/44/1076495244.db2.gz FQTKCHQRKAMVCV-JTQLQIEISA-N -1 1 302.338 2.257 20 5 DEBDMM C[C@@H](Cc1ccco1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589902492 1076527659 /nfs/dbraw/zinc/52/76/59/1076527659.db2.gz GFXLJBMZZGTATE-ZETCQYMHSA-N -1 1 320.334 2.473 20 5 DEBDMM C[C@@H](Cc1ccco1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589902492 1076527662 /nfs/dbraw/zinc/52/76/62/1076527662.db2.gz GFXLJBMZZGTATE-ZETCQYMHSA-N -1 1 320.334 2.473 20 5 DEBDMM CC1(C)CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS1 ZINC001590108229 1076565930 /nfs/dbraw/zinc/56/59/30/1076565930.db2.gz URNDQBPEYUUIFH-UHFFFAOYSA-N -1 1 320.378 2.107 20 5 DEBDMM CC1(C)CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS1 ZINC001590108229 1076565934 /nfs/dbraw/zinc/56/59/34/1076565934.db2.gz URNDQBPEYUUIFH-UHFFFAOYSA-N -1 1 320.378 2.107 20 5 DEBDMM C[C@@H]1CCC[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590246750 1076599032 /nfs/dbraw/zinc/59/90/32/1076599032.db2.gz FTPSVQNGAPUNBZ-RKDXNWHRSA-N -1 1 303.326 2.018 20 5 DEBDMM C[C@@H]1CCC[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590246750 1076599033 /nfs/dbraw/zinc/59/90/33/1076599033.db2.gz FTPSVQNGAPUNBZ-RKDXNWHRSA-N -1 1 303.326 2.018 20 5 DEBDMM CC[C@@H](C)CCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590410174 1076623250 /nfs/dbraw/zinc/62/32/50/1076623250.db2.gz JRMQVWOVWCZNMS-MRVPVSSYSA-N -1 1 305.342 2.205 20 5 DEBDMM CC[C@@H](C)CCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590410174 1076623251 /nfs/dbraw/zinc/62/32/51/1076623251.db2.gz JRMQVWOVWCZNMS-MRVPVSSYSA-N -1 1 305.342 2.205 20 5 DEBDMM CCOCC(C)(C)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590799551 1076679338 /nfs/dbraw/zinc/67/93/38/1076679338.db2.gz CREVVAFHCQHAJS-UHFFFAOYSA-N -1 1 320.353 2.250 20 5 DEBDMM CCOCC(C)(C)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590799551 1076679340 /nfs/dbraw/zinc/67/93/40/1076679340.db2.gz CREVVAFHCQHAJS-UHFFFAOYSA-N -1 1 320.353 2.250 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCCC2(CC2)C1 ZINC001593466903 1077005899 /nfs/dbraw/zinc/00/58/99/1077005899.db2.gz OQHRICAHOBHHBF-UHFFFAOYSA-N -1 1 300.322 2.155 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCCC2(CC2)C1 ZINC001593466903 1077005903 /nfs/dbraw/zinc/00/59/03/1077005903.db2.gz OQHRICAHOBHHBF-UHFFFAOYSA-N -1 1 300.322 2.155 20 5 DEBDMM O=[N+]([O-])c1cc(NCC2CC(F)(F)C2)ccc1-c1nn[n-]n1 ZINC001593473547 1077006501 /nfs/dbraw/zinc/00/65/01/1077006501.db2.gz HPDHXMBWIGRXLS-UHFFFAOYSA-N -1 1 310.264 2.232 20 5 DEBDMM O=[N+]([O-])c1cc(N[C@H]2C[C@@H]2c2cccnc2)ccc1-c1nn[n-]n1 ZINC001593473497 1077006572 /nfs/dbraw/zinc/00/65/72/1077006572.db2.gz FSUPMSSXVZAESY-OLZOCXBDSA-N -1 1 323.316 2.138 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC(CC2CC2)C1 ZINC001593488492 1077011193 /nfs/dbraw/zinc/01/11/93/1077011193.db2.gz ZMLIKRJVWIWRNB-UHFFFAOYSA-N -1 1 306.351 2.073 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC(CC2CC2)C1 ZINC001593488492 1077011199 /nfs/dbraw/zinc/01/11/99/1077011199.db2.gz ZMLIKRJVWIWRNB-UHFFFAOYSA-N -1 1 306.351 2.073 20 5 DEBDMM CC(C)c1ncc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[nH]1 ZINC001597805890 1077101984 /nfs/dbraw/zinc/10/19/84/1077101984.db2.gz GOSLRKGYBBRKFZ-UHFFFAOYSA-N -1 1 304.306 2.077 20 5 DEBDMM Cc1oc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001608050391 1077585379 /nfs/dbraw/zinc/58/53/79/1077585379.db2.gz FYNJAIAATITYDA-AWEZNQCLSA-N -1 1 320.301 2.018 20 5 DEBDMM CO[C@H]1CCC[C@H]1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609314719 1077832118 /nfs/dbraw/zinc/83/21/18/1077832118.db2.gz RAKYNGYOVMZEOT-CABZTGNLSA-N -1 1 318.337 2.002 20 5 DEBDMM CO[C@H]1CCC[C@H]1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609314719 1077832122 /nfs/dbraw/zinc/83/21/22/1077832122.db2.gz RAKYNGYOVMZEOT-CABZTGNLSA-N -1 1 318.337 2.002 20 5 DEBDMM CON(CC(C)(C)C)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609332171 1077835178 /nfs/dbraw/zinc/83/51/78/1077835178.db2.gz XMLFDGIFQHHDKK-UHFFFAOYSA-N -1 1 306.326 2.189 20 5 DEBDMM CON(CC(C)(C)C)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609332171 1077835182 /nfs/dbraw/zinc/83/51/82/1077835182.db2.gz XMLFDGIFQHHDKK-UHFFFAOYSA-N -1 1 306.326 2.189 20 5 DEBDMM O=[N+]([O-])c1cc(N[C@H]2CCCC2(F)F)ccc1-c1nn[n-]n1 ZINC001609600844 1077881467 /nfs/dbraw/zinc/88/14/67/1077881467.db2.gz GYVBFCLPRFZQHK-JTQLQIEISA-N -1 1 310.264 2.375 20 5 DEBDMM O=C(NCCCc1ccsc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001653905947 1079942699 /nfs/dbraw/zinc/94/26/99/1079942699.db2.gz GZVLITNEJMDTKO-UHFFFAOYSA-N -1 1 307.331 2.120 20 5 DEBDMM Cc1cccc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC001309339036 1147500001 /nfs/dbraw/zinc/50/00/01/1147500001.db2.gz XNABMCYZHALSFY-NSHDSACASA-N -1 1 321.358 2.338 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc[nH]1 ZINC000277951013 213877093 /nfs/dbraw/zinc/87/70/93/213877093.db2.gz SQAJZVAGOAIUDV-NSHDSACASA-N -1 1 302.290 2.001 20 5 DEBDMM CN1CCCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000265714515 282774129 /nfs/dbraw/zinc/77/41/29/282774129.db2.gz WSTVNKANBUFJNJ-UHFFFAOYSA-N -1 1 300.318 2.410 20 5 DEBDMM O=C(NCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016493277 354038587 /nfs/dbraw/zinc/03/85/87/354038587.db2.gz QKYXGKHZUYRZHM-UHFFFAOYSA-N -1 1 307.693 2.279 20 5 DEBDMM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146806499 355909693 /nfs/dbraw/zinc/90/96/93/355909693.db2.gz CXUSLYLUGVSHSN-SFYZADRCSA-N -1 1 304.755 2.183 20 5 DEBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1nccs1 ZINC000618632191 363552161 /nfs/dbraw/zinc/55/21/61/363552161.db2.gz ITLROSLLVCJMEW-UHFFFAOYSA-N -1 1 321.314 2.465 20 5 DEBDMM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000579090041 356918320 /nfs/dbraw/zinc/91/83/20/356918320.db2.gz ZCVXKEPSZVACJP-ZJUUUORDSA-N -1 1 313.379 2.093 20 5 DEBDMM C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@]1(C)C(=O)[O-] ZINC000579603600 357003233 /nfs/dbraw/zinc/00/32/33/357003233.db2.gz FJXHIJJLLPAUFX-PSLIRLAXSA-N -1 1 318.333 2.014 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597694775 358980478 /nfs/dbraw/zinc/98/04/78/358980478.db2.gz WXZLBWCCWWCWFE-UHFFFAOYSA-N -1 1 322.296 2.387 20 5 DEBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(CC(C)C)c2)n1 ZINC000288293125 220068073 /nfs/dbraw/zinc/06/80/73/220068073.db2.gz HRXMEYHRUKWOJD-UHFFFAOYSA-N -1 1 319.321 2.373 20 5 DEBDMM CC(C)[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000456327604 247092729 /nfs/dbraw/zinc/09/27/29/247092729.db2.gz JFKNWSLSORSXEJ-AAEUAGOBSA-N -1 1 307.350 2.448 20 5 DEBDMM Cc1cc(NCc2n[nH]c(C(C)C)n2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565036489 292128861 /nfs/dbraw/zinc/12/88/61/292128861.db2.gz SGFQDMDTPOACGL-UHFFFAOYSA-N -1 1 319.321 2.455 20 5 DEBDMM CCN(C)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000346454310 146084426 /nfs/dbraw/zinc/08/44/26/146084426.db2.gz NBDHGSJYZHOGOB-UHFFFAOYSA-N -1 1 316.317 2.267 20 5 DEBDMM O=C(NCCOC1CCCCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000118523379 401899741 /nfs/dbraw/zinc/89/97/41/401899741.db2.gz ODZIRPAWSMHMST-UHFFFAOYSA-N -1 1 323.349 2.165 20 5 DEBDMM Cc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000036714116 401907120 /nfs/dbraw/zinc/90/71/20/401907120.db2.gz HCISLGYCJDGHAF-UHFFFAOYSA-N -1 1 315.211 2.292 20 5 DEBDMM Cc1ccc(C[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000185701871 402370505 /nfs/dbraw/zinc/37/05/05/402370505.db2.gz FNMNLZDEXSEYSZ-MRVPVSSYSA-N -1 1 321.358 2.426 20 5 DEBDMM CN(Cc1ccc(F)c(F)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186878354 402468466 /nfs/dbraw/zinc/46/84/66/402468466.db2.gz YNAIEQPGKCFSMS-UHFFFAOYSA-N -1 1 323.255 2.246 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCSC1 ZINC000266323807 402968605 /nfs/dbraw/zinc/96/86/05/402968605.db2.gz RRKGWXUKEAMPSJ-MRVPVSSYSA-N -1 1 322.795 2.032 20 5 DEBDMM O=C(Nc1ccccc1O[C@@H]1CCOC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000268334925 403074318 /nfs/dbraw/zinc/07/43/18/403074318.db2.gz DLCFILFYFQWLRY-SNVBAGLBSA-N -1 1 317.301 2.343 20 5 DEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1F ZINC000339130529 403365141 /nfs/dbraw/zinc/36/51/41/403365141.db2.gz YDPDGCFNFJPXFG-DTWKUNHWSA-N -1 1 322.745 2.417 20 5 DEBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cncc([O-])c1 ZINC000340006373 403523848 /nfs/dbraw/zinc/52/38/48/403523848.db2.gz RQHLSGAVACPBBZ-UHFFFAOYSA-N -1 1 321.720 2.321 20 5 DEBDMM C[C@H](CCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302753758 403720901 /nfs/dbraw/zinc/72/09/01/403720901.db2.gz ISEIYKSQWHOMCL-LLVKDONJSA-N -1 1 315.329 2.447 20 5 DEBDMM Cn1c(=O)ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000347582633 403761333 /nfs/dbraw/zinc/76/13/33/403761333.db2.gz KBJVLJRIWPSYRV-UHFFFAOYSA-N -1 1 312.285 2.027 20 5 DEBDMM O=C(NC[C@H]1CCCCC1(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000295381767 403893861 /nfs/dbraw/zinc/89/38/61/403893861.db2.gz IYOWTORUZXWSPW-SECBINFHSA-N -1 1 315.276 2.251 20 5 DEBDMM C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)[O-])cn1 ZINC000567368651 292309286 /nfs/dbraw/zinc/30/92/86/292309286.db2.gz FLTXRVHHCXSOKJ-UHFFFAOYSA-N -1 1 315.329 2.363 20 5 DEBDMM CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)[O-])cn1 ZINC000567368651 292309288 /nfs/dbraw/zinc/30/92/88/292309288.db2.gz FLTXRVHHCXSOKJ-UHFFFAOYSA-N -1 1 315.329 2.363 20 5 DEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCSC2(CCOCC2)C1 ZINC000407993272 405084774 /nfs/dbraw/zinc/08/47/74/405084774.db2.gz MRNNNHWHMFAMNX-UHFFFAOYSA-N -1 1 324.402 2.398 20 5 DEBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)c1ccc([O-])cc1 ZINC000436859770 405151852 /nfs/dbraw/zinc/15/18/52/405151852.db2.gz LNTCZXKOVMZVEN-UHFFFAOYSA-N -1 1 314.297 2.142 20 5 DEBDMM COc1cc(OC)c(OC)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000361618154 405165956 /nfs/dbraw/zinc/16/59/56/405165956.db2.gz HVXNSRCIKDCFPC-UHFFFAOYSA-N -1 1 321.289 2.201 20 5 DEBDMM C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525186343 406473113 /nfs/dbraw/zinc/47/31/13/406473113.db2.gz BETGZRDBMXSHAL-MNOVXSKESA-N -1 1 313.379 2.094 20 5 DEBDMM C[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])c2c([O-])cccc21 ZINC000547760289 406443027 /nfs/dbraw/zinc/44/30/27/406443027.db2.gz KBRNJVVJKBZJMZ-QMMMGPOBSA-N -1 1 302.290 2.178 20 5 DEBDMM CSCC[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000129251356 196032679 /nfs/dbraw/zinc/03/26/79/196032679.db2.gz MKCQDDPCSGZCGA-MRVPVSSYSA-N -1 1 322.383 2.154 20 5 DEBDMM O=C(NCc1nccc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193380562 225158501 /nfs/dbraw/zinc/15/85/01/225158501.db2.gz LIUBKGFKJMGXDX-UHFFFAOYSA-N -1 1 324.296 2.174 20 5 DEBDMM Cc1cc(F)ccc1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193686686 225165190 /nfs/dbraw/zinc/16/51/90/225165190.db2.gz KGLAPDIKMBCARZ-UHFFFAOYSA-N -1 1 319.292 2.115 20 5 DEBDMM CCN(Cc1cccc(F)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444832640 528811851 /nfs/dbraw/zinc/81/18/51/528811851.db2.gz GLGHTYIDETYJBO-UHFFFAOYSA-N -1 1 319.292 2.497 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2cc(F)cc(F)c2)c(-c2nnn[n-]2)c1 ZINC000738374962 598501390 /nfs/dbraw/zinc/50/13/90/598501390.db2.gz VDHICOUAHBGJKN-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2cc(F)cc(F)c2)c(-c2nn[n-]n2)c1 ZINC000738374962 598501391 /nfs/dbraw/zinc/50/13/91/598501391.db2.gz VDHICOUAHBGJKN-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM CN(Cc1cccs1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000825986288 607448823 /nfs/dbraw/zinc/44/88/23/607448823.db2.gz XTQMUQUBWAQQTB-UHFFFAOYSA-N -1 1 316.346 2.473 20 5 DEBDMM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000827718323 604994266 /nfs/dbraw/zinc/99/42/66/604994266.db2.gz QRFSUGHDOMOBDQ-QMTHXVAHSA-N -1 1 301.302 2.466 20 5 DEBDMM O=[N+]([O-])c1cccnc1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826500650 607867301 /nfs/dbraw/zinc/86/73/01/607867301.db2.gz GRGSODXGFLWDNL-UHFFFAOYSA-N -1 1 302.225 2.101 20 5 DEBDMM O=[N+]([O-])c1cccnc1Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826500650 607867302 /nfs/dbraw/zinc/86/73/02/607867302.db2.gz GRGSODXGFLWDNL-UHFFFAOYSA-N -1 1 302.225 2.101 20 5 DEBDMM O=[N+]([O-])c1ccc(CSc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826498295 607903449 /nfs/dbraw/zinc/90/34/49/607903449.db2.gz ORGFKKCTDQFMNB-UHFFFAOYSA-N -1 1 314.330 2.462 20 5 DEBDMM O=[N+]([O-])c1ccc(CSc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826498295 607903450 /nfs/dbraw/zinc/90/34/50/607903450.db2.gz ORGFKKCTDQFMNB-UHFFFAOYSA-N -1 1 314.330 2.462 20 5 DEBDMM CC(C)[C@@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])N1CCCC1 ZINC000837538450 650214735 /nfs/dbraw/zinc/21/47/35/650214735.db2.gz MAMJWTHEMDFQEK-HNNXBMFYSA-N -1 1 322.361 2.464 20 5 DEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000780066912 642580257 /nfs/dbraw/zinc/58/02/57/642580257.db2.gz DKAYKPVNJCODGW-UHFFFAOYSA-N -1 1 319.244 2.479 20 5 DEBDMM COC(=O)c1ccc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])[n-]1 ZINC000796344766 644722590 /nfs/dbraw/zinc/72/25/90/644722590.db2.gz KVPYGTSGWZOJOL-UHFFFAOYSA-N -1 1 322.248 2.206 20 5 DEBDMM COc1cncc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000808527910 646101030 /nfs/dbraw/zinc/10/10/30/646101030.db2.gz QXMJRSQEKFRTQX-UHFFFAOYSA-N -1 1 304.258 2.061 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000846037342 651303733 /nfs/dbraw/zinc/30/37/33/651303733.db2.gz OIEBMXMPVZTKQX-UHFFFAOYSA-N -1 1 314.338 2.345 20 5 DEBDMM CO[C@H]1CC[C@H](C)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000872161513 688942277 /nfs/dbraw/zinc/94/22/77/688942277.db2.gz UXAPJYFBRGAPCQ-GWCFXTLKSA-N -1 1 308.334 2.292 20 5 DEBDMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000874478533 689423362 /nfs/dbraw/zinc/42/33/62/689423362.db2.gz VBMBMRVXQQFLDD-LLVKDONJSA-N -1 1 319.239 2.110 20 5 DEBDMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931319293 694367458 /nfs/dbraw/zinc/36/74/58/694367458.db2.gz XZLIFRAWUKGYTN-MELADBBJSA-N -1 1 306.318 2.273 20 5 DEBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc(C3(C)CC3)ns2)n1 ZINC001437869551 1180039630 /nfs/dbraw/zinc/03/96/30/1180039630.db2.gz BDBJFJSYPUZEMM-UHFFFAOYSA-N -1 1 319.346 2.454 20 5 DEBDMM O=c1nc2nc[nH]c2c(Nc2ccnc3c2cccc3[N+](=O)[O-])[n-]1 ZINC001170228113 786874200 /nfs/dbraw/zinc/87/42/00/786874200.db2.gz DAKBQWCDUSQIPL-UHFFFAOYSA-N -1 1 323.272 2.259 20 5 DEBDMM Cc1cc2[nH]c(=O)n(-c3cc([O-])cc([N+](=O)[O-])c3)c2cc1N ZINC001201223228 798727409 /nfs/dbraw/zinc/72/74/09/798727409.db2.gz YPOMNBLRIBDEFV-UHFFFAOYSA-N -1 1 300.274 2.236 20 5 DEBDMM CC(C)Oc1cc(C(=O)Nc2c[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC001161392104 798845282 /nfs/dbraw/zinc/84/52/82/798845282.db2.gz YVXRWGAYCFDTJE-UHFFFAOYSA-N -1 1 306.278 2.063 20 5 DEBDMM CC[C@H](O)C(=O)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518109 801288183 /nfs/dbraw/zinc/28/81/83/801288183.db2.gz RGKBHPCPJSYXTI-ZDUSSCGKSA-N -1 1 314.293 2.328 20 5 DEBDMM Cn1cnc2c1nc(Cl)nc2Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394980 801391380 /nfs/dbraw/zinc/39/13/80/801391380.db2.gz LKBICHPMZTZQNW-UHFFFAOYSA-N -1 1 320.696 2.374 20 5 DEBDMM COc1cc(CN(C)CCCC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001594056710 958041711 /nfs/dbraw/zinc/04/17/11/958041711.db2.gz VQEDAQGFYGWXEF-UHFFFAOYSA-N -1 1 300.286 2.039 20 5 DEBDMM CC(C)(NCc1cc(O)ccc1[N+](=O)[O-])c1nocc1C(=O)[O-] ZINC001590871252 990777050 /nfs/dbraw/zinc/77/70/50/990777050.db2.gz KBJJDOQQOMIEMN-UHFFFAOYSA-N -1 1 321.289 2.012 20 5 DEBDMM C[C@@H]1CC(O)C[C@@H](C)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594264953 999024441 /nfs/dbraw/zinc/02/44/41/999024441.db2.gz AZMYDRFBZHVOEN-NXEZZACHSA-N -1 1 308.334 2.027 20 5 DEBDMM C[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CS1 ZINC001603862859 1070125595 /nfs/dbraw/zinc/12/55/95/1070125595.db2.gz PKFHRWDKLSJREX-HTQZYQBOSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CS1 ZINC001603862859 1070125599 /nfs/dbraw/zinc/12/55/99/1070125599.db2.gz PKFHRWDKLSJREX-HTQZYQBOSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC001603940512 1070153104 /nfs/dbraw/zinc/15/31/04/1070153104.db2.gz USHFRPRBPSEWNP-RKDXNWHRSA-N -1 1 320.378 2.105 20 5 DEBDMM CCC[C@@H](O)CCNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604146728 1070243809 /nfs/dbraw/zinc/24/38/09/1070243809.db2.gz IBYVKTKTYBEKOJ-LLVKDONJSA-N -1 1 320.353 2.046 20 5 DEBDMM CCC[C@@H](O)CCNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604146728 1070243821 /nfs/dbraw/zinc/24/38/21/1070243821.db2.gz IBYVKTKTYBEKOJ-LLVKDONJSA-N -1 1 320.353 2.046 20 5 DEBDMM Cc1ccoc1CN(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001605965052 1070992630 /nfs/dbraw/zinc/99/26/30/1070992630.db2.gz JCWPILMPBLTSKR-UHFFFAOYSA-N -1 1 320.334 2.374 20 5 DEBDMM Cc1ccoc1CN(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001605965052 1070992643 /nfs/dbraw/zinc/99/26/43/1070992643.db2.gz JCWPILMPBLTSKR-UHFFFAOYSA-N -1 1 320.334 2.374 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@@H]3CCC[C@H]23)cccc1-c1nnn[n-]1 ZINC001607078130 1071289127 /nfs/dbraw/zinc/28/91/27/1071289127.db2.gz LCLBHKMNOBHGCT-HOTUBEGUSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@@H]3CCC[C@H]23)cccc1-c1nn[n-]n1 ZINC001607078130 1071289131 /nfs/dbraw/zinc/28/91/31/1071289131.db2.gz LCLBHKMNOBHGCT-HOTUBEGUSA-N -1 1 300.322 2.375 20 5 DEBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1cc(F)c(F)c(F)c1F ZINC001454968116 1057636965 /nfs/dbraw/zinc/63/69/65/1057636965.db2.gz BMRZRDRRRPEFRJ-UHFFFAOYSA-N -1 1 318.186 2.137 20 5 DEBDMM O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001638810547 1078581431 /nfs/dbraw/zinc/58/14/31/1078581431.db2.gz KCXFYPHCMZRGPH-IUODEOHRSA-N -1 1 317.276 2.063 20 5 DEBDMM O=C(N[C@H](CF)c1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001643061837 1078782362 /nfs/dbraw/zinc/78/23/62/1078782362.db2.gz YLQJICFNQTYTFO-LLVKDONJSA-N -1 1 323.255 2.275 20 5 DEBDMM O=C(N[C@@H]1C[C@H]1c1ccsc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001643614862 1078806409 /nfs/dbraw/zinc/80/64/09/1078806409.db2.gz PKGLISUHINOPIU-VHSXEESVSA-N -1 1 305.315 2.043 20 5 DEBDMM O=C(NCC1CCC2(CC2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001557767394 1075074735 /nfs/dbraw/zinc/07/47/35/1075074735.db2.gz VCQYQWFOROAQQF-UHFFFAOYSA-N -1 1 305.334 2.396 20 5 DEBDMM CC(C)(C)CCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589127498 1076476953 /nfs/dbraw/zinc/47/69/53/1076476953.db2.gz URVABWWNMZLUGC-UHFFFAOYSA-N -1 1 305.342 2.205 20 5 DEBDMM CC(C)(C)CCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589127498 1076476961 /nfs/dbraw/zinc/47/69/61/1076476961.db2.gz URVABWWNMZLUGC-UHFFFAOYSA-N -1 1 305.342 2.205 20 5 DEBDMM C[C@H](N(C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1(C)CC1 ZINC001589912285 1076528923 /nfs/dbraw/zinc/52/89/23/1076528923.db2.gz JBGVRYJMWKTUIY-VIFPVBQESA-N -1 1 302.338 2.400 20 5 DEBDMM C[C@H](N(C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1(C)CC1 ZINC001589912285 1076528927 /nfs/dbraw/zinc/52/89/27/1076528927.db2.gz JBGVRYJMWKTUIY-VIFPVBQESA-N -1 1 302.338 2.400 20 5 DEBDMM CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001590083900 1076558011 /nfs/dbraw/zinc/55/80/11/1076558011.db2.gz NMHQRSKNUHHULG-SNVBAGLBSA-N -1 1 318.337 2.144 20 5 DEBDMM CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001590083900 1076558017 /nfs/dbraw/zinc/55/80/17/1076558017.db2.gz NMHQRSKNUHHULG-SNVBAGLBSA-N -1 1 318.337 2.144 20 5 DEBDMM CC1=C(C)CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001590158907 1076576091 /nfs/dbraw/zinc/57/60/91/1076576091.db2.gz AQSOBEXWWWUJJR-UHFFFAOYSA-N -1 1 306.351 2.383 20 5 DEBDMM CC1=C(C)CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001590158907 1076576096 /nfs/dbraw/zinc/57/60/96/1076576096.db2.gz AQSOBEXWWWUJJR-UHFFFAOYSA-N -1 1 306.351 2.383 20 5 DEBDMM C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS1 ZINC001590210094 1076584544 /nfs/dbraw/zinc/58/45/44/1076584544.db2.gz VZMNUOQTELIFBL-PSASIEDQSA-N -1 1 320.378 2.471 20 5 DEBDMM C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS1 ZINC001590210094 1076584551 /nfs/dbraw/zinc/58/45/51/1076584551.db2.gz VZMNUOQTELIFBL-PSASIEDQSA-N -1 1 320.378 2.471 20 5 DEBDMM C[C@H]1SCC[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590338681 1076613345 /nfs/dbraw/zinc/61/33/45/1076613345.db2.gz VMJPIYBGLHSZRL-GMSGAONNSA-N -1 1 306.351 2.081 20 5 DEBDMM CCN(CC1CCC1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590691032 1076670130 /nfs/dbraw/zinc/67/01/30/1076670130.db2.gz CDWAVRHIBUVXFR-UHFFFAOYSA-N -1 1 302.338 2.401 20 5 DEBDMM COCC1(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCCC1 ZINC001591390514 1076738749 /nfs/dbraw/zinc/73/87/49/1076738749.db2.gz HAGWRBGZUYFUGH-UHFFFAOYSA-N -1 1 324.366 2.208 20 5 DEBDMM COCC1(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCCC1 ZINC001591390514 1076738752 /nfs/dbraw/zinc/73/87/52/1076738752.db2.gz HAGWRBGZUYFUGH-UHFFFAOYSA-N -1 1 324.366 2.208 20 5 DEBDMM CSCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591699399 1076776140 /nfs/dbraw/zinc/77/61/40/1076776140.db2.gz IEMRBWOAGSGQLG-MRVPVSSYSA-N -1 1 308.367 2.328 20 5 DEBDMM Cc1cc(N2C[C@H](C)C[C@@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591998476 1076828520 /nfs/dbraw/zinc/82/85/20/1076828520.db2.gz IKOVLFGXILHGSF-SCZZXKLOSA-N -1 1 302.338 2.318 20 5 DEBDMM Cc1cc(N2C[C@H](C)C[C@@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591998476 1076828527 /nfs/dbraw/zinc/82/85/27/1076828527.db2.gz IKOVLFGXILHGSF-SCZZXKLOSA-N -1 1 302.338 2.318 20 5 DEBDMM Cc1cc(NC[C@@H]2CCSC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592045747 1076837825 /nfs/dbraw/zinc/83/78/25/1076837825.db2.gz YQAJBGOHJFYJRL-VIFPVBQESA-N -1 1 320.378 2.248 20 5 DEBDMM Cc1cc(NC[C@@H]2CCSC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592045747 1076837830 /nfs/dbraw/zinc/83/78/30/1076837830.db2.gz YQAJBGOHJFYJRL-VIFPVBQESA-N -1 1 320.378 2.248 20 5 DEBDMM Nc1cc(NCC2=CCCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759885 1076958083 /nfs/dbraw/zinc/95/80/83/1076958083.db2.gz JTQZMODWOBBTIK-UHFFFAOYSA-N -1 1 315.337 2.269 20 5 DEBDMM Nc1cc(NCC2=CCCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759885 1076958086 /nfs/dbraw/zinc/95/80/86/1076958086.db2.gz JTQZMODWOBBTIK-UHFFFAOYSA-N -1 1 315.337 2.269 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1S[C@@H]1CCCOC1 ZINC001593488024 1077011357 /nfs/dbraw/zinc/01/13/57/1077011357.db2.gz DNRHBBVKNWICGT-ZCFIWIBFSA-N -1 1 313.364 2.108 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1S[C@@H]1CCCOC1 ZINC001593488024 1077011361 /nfs/dbraw/zinc/01/13/61/1077011361.db2.gz DNRHBBVKNWICGT-ZCFIWIBFSA-N -1 1 313.364 2.108 20 5 DEBDMM O=C([O-])COc1ccc(C[N@H+]2CCCC3(CC3)C2)cc1[N+](=O)[O-] ZINC001602082384 1077503463 /nfs/dbraw/zinc/50/34/63/1077503463.db2.gz QZEGXYJSKPTTPY-UHFFFAOYSA-N -1 1 320.345 2.434 20 5 DEBDMM O=C([O-])COc1ccc(CN2CCCC3(CC3)C2)cc1[N+](=O)[O-] ZINC001602082384 1077503464 /nfs/dbraw/zinc/50/34/64/1077503464.db2.gz QZEGXYJSKPTTPY-UHFFFAOYSA-N -1 1 320.345 2.434 20 5 DEBDMM Cc1nn(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC001608012113 1077577779 /nfs/dbraw/zinc/57/77/79/1077577779.db2.gz UUDBACTVFZBTFL-LBPRGKRZSA-N -1 1 324.381 2.188 20 5 DEBDMM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001608622986 1077665797 /nfs/dbraw/zinc/66/57/97/1077665797.db2.gz JIMVCSCVECBQKU-UWVGGRQHSA-N -1 1 323.301 2.235 20 5 DEBDMM CS[C@@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001609369742 1077842375 /nfs/dbraw/zinc/84/23/75/1077842375.db2.gz KSDNAUCBVQYHBK-PSASIEDQSA-N -1 1 320.378 2.471 20 5 DEBDMM Cc1ccnc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC001609438393 1077860367 /nfs/dbraw/zinc/86/03/67/1077860367.db2.gz GLKKXXBBDFTEEY-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1ccnc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC001609438393 1077860369 /nfs/dbraw/zinc/86/03/69/1077860369.db2.gz GLKKXXBBDFTEEY-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM O=C(NCC[C@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001651260739 1079798631 /nfs/dbraw/zinc/79/86/31/1079798631.db2.gz NVHMMXMRTBTWPS-MRVPVSSYSA-N -1 1 315.276 2.251 20 5 DEBDMM O=[N+]([O-])c1nc[nH]c1-c1nc(-c2cccnc2OC(F)F)no1 ZINC001212894371 1087762464 /nfs/dbraw/zinc/76/24/64/1087762464.db2.gz YFLPMWDMHGIOFJ-UHFFFAOYSA-N -1 1 324.203 2.031 20 5 DEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccnc2OC(F)F)no1 ZINC001212894371 1087762477 /nfs/dbraw/zinc/76/24/77/1087762477.db2.gz YFLPMWDMHGIOFJ-UHFFFAOYSA-N -1 1 324.203 2.031 20 5 DEBDMM CN(C)c1ccc(-c2nnc(-c3[n-]cnc3[N+](=O)[O-])o2)cc1 ZINC001252342088 1142686066 /nfs/dbraw/zinc/68/60/66/1142686066.db2.gz PBBPSCLMBWYAEM-UHFFFAOYSA-N -1 1 300.278 2.101 20 5 DEBDMM CS[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000157979573 295660724 /nfs/dbraw/zinc/66/07/24/295660724.db2.gz RFHAMEGQRDXDIL-SSDOTTSWSA-N -1 1 324.811 2.278 20 5 DEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC1CC1 ZINC000173768677 198250017 /nfs/dbraw/zinc/25/00/17/198250017.db2.gz XXXMBCTXVVVLET-UHFFFAOYSA-N -1 1 304.755 2.327 20 5 DEBDMM CC1CC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000080815827 355388572 /nfs/dbraw/zinc/38/85/72/355388572.db2.gz KOZZCCLFYIBZDT-UHFFFAOYSA-N -1 1 304.755 2.325 20 5 DEBDMM CCCC[C@H](C(=O)[O-])N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000584849881 357321877 /nfs/dbraw/zinc/32/18/77/357321877.db2.gz MHYMUVCVXMPMMP-CYBMUJFWSA-N -1 1 308.334 2.433 20 5 DEBDMM O=C(NC1(C(F)F)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000589949194 357506394 /nfs/dbraw/zinc/50/63/94/357506394.db2.gz PUQYBPPGRYHPPG-UHFFFAOYSA-N -1 1 301.249 2.003 20 5 DEBDMM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000594734268 358328104 /nfs/dbraw/zinc/32/81/04/358328104.db2.gz VBTIIYFFOQTPKE-MNOVXSKESA-N -1 1 308.334 2.292 20 5 DEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1 ZINC000288258304 220048434 /nfs/dbraw/zinc/04/84/34/220048434.db2.gz CGERQZQMLUXSKB-JTQLQIEISA-N -1 1 324.280 2.214 20 5 DEBDMM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000543687695 285303044 /nfs/dbraw/zinc/30/30/44/285303044.db2.gz MLSBSFOHPLOEJS-LLVKDONJSA-N -1 1 321.358 2.072 20 5 DEBDMM CN(Cc1c(F)cccc1F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000358268421 133132013 /nfs/dbraw/zinc/13/20/13/133132013.db2.gz BTIILBQMESNVBZ-UHFFFAOYSA-N -1 1 323.255 2.246 20 5 DEBDMM COC(=O)c1c[n-]c(SCc2ccc([N+](=O)[O-])cc2OC)n1 ZINC000362339297 133224992 /nfs/dbraw/zinc/22/49/92/133224992.db2.gz JWFJFIWBDUVNTQ-UHFFFAOYSA-N -1 1 323.330 2.405 20 5 DEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1 ZINC000354684243 296508797 /nfs/dbraw/zinc/50/87/97/296508797.db2.gz YDYCJYVCNCHZJN-UHFFFAOYSA-N -1 1 324.280 2.358 20 5 DEBDMM Cc1cccc(O)c1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000314433464 145357569 /nfs/dbraw/zinc/35/75/69/145357569.db2.gz GSDYHEABWZOYHV-UHFFFAOYSA-N -1 1 324.314 2.115 20 5 DEBDMM CCc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000347086830 146192278 /nfs/dbraw/zinc/19/22/78/146192278.db2.gz OHPBICMUXWVDQB-UHFFFAOYSA-N -1 1 315.329 2.230 20 5 DEBDMM NC(=O)c1ccnc([N-]c2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC000357189373 147059541 /nfs/dbraw/zinc/05/95/41/147059541.db2.gz MINJQGSAQBVGMV-UHFFFAOYSA-N -1 1 324.300 2.018 20 5 DEBDMM CSCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000128707443 401788806 /nfs/dbraw/zinc/78/88/06/401788806.db2.gz ARSGUYGDASOGCS-UHFFFAOYSA-N -1 1 324.811 2.280 20 5 DEBDMM O=C(NC12CC3CC(CC(C3)C1)C2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186867127 402467843 /nfs/dbraw/zinc/46/78/43/402467843.db2.gz DNAJKCGRPGWCGJ-UHFFFAOYSA-N -1 1 317.345 2.394 20 5 DEBDMM CCc1[nH]nc(C(=O)Nc2cc(Cl)ccc2[O-])c1[N+](=O)[O-] ZINC000171804161 402623522 /nfs/dbraw/zinc/62/35/22/402623522.db2.gz UWOGFXDHFXYFIX-UHFFFAOYSA-N -1 1 310.697 2.492 20 5 DEBDMM O=C([O-])C1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000263537193 402778934 /nfs/dbraw/zinc/77/89/34/402778934.db2.gz ZYNXIERKIHYNRY-UHFFFAOYSA-N -1 1 302.286 2.371 20 5 DEBDMM CCc1cnccc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445148443 405346620 /nfs/dbraw/zinc/34/66/20/405346620.db2.gz XTKZSKNPGKWILM-SECBINFHSA-N -1 1 316.317 2.144 20 5 DEBDMM CCC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000556330730 405473751 /nfs/dbraw/zinc/47/37/51/405473751.db2.gz TXFYEHIPRARCBR-NSHDSACASA-N -1 1 315.395 2.483 20 5 DEBDMM Cc1ccc(NCCC[N-]C(=O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000129193211 196027182 /nfs/dbraw/zinc/02/71/82/196027182.db2.gz LYZSINYRJFEDDJ-UHFFFAOYSA-N -1 1 305.256 2.384 20 5 DEBDMM CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028813119 267363106 /nfs/dbraw/zinc/36/31/06/267363106.db2.gz HXGMSJPWSLWVDB-UHFFFAOYSA-N -1 1 319.292 2.085 20 5 DEBDMM COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000397116409 269104672 /nfs/dbraw/zinc/10/46/72/269104672.db2.gz VLVDICKTLRSIDN-QWRGUYRKSA-N -1 1 308.334 2.289 20 5 DEBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000294946146 276130180 /nfs/dbraw/zinc/13/01/80/276130180.db2.gz XPUYMSHUCLSQCF-GHMZBOCLSA-N -1 1 305.334 2.346 20 5 DEBDMM COc1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c([O-])c1 ZINC000442698277 277916427 /nfs/dbraw/zinc/91/64/27/277916427.db2.gz CSYBVPDCLJKLQH-UHFFFAOYSA-N -1 1 320.305 2.408 20 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607131881 /nfs/dbraw/zinc/13/18/81/607131881.db2.gz GYADOUWXRFGFDP-AMUVOQDHSA-N -1 1 315.337 2.161 20 5 DEBDMM C[C@H]1CCCC[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820702897 607161075 /nfs/dbraw/zinc/16/10/75/607161075.db2.gz BBULNPAAVUQERH-WCBMZHEXSA-N -1 1 303.326 2.161 20 5 DEBDMM C[C@H]1CCCC[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820702897 607161078 /nfs/dbraw/zinc/16/10/78/607161078.db2.gz BBULNPAAVUQERH-WCBMZHEXSA-N -1 1 303.326 2.161 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(F)cc1F ZINC000823630539 607164463 /nfs/dbraw/zinc/16/44/63/607164463.db2.gz ZRGBDUDTPSVSQO-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(F)cc1F ZINC000823630539 607164464 /nfs/dbraw/zinc/16/44/64/607164464.db2.gz ZRGBDUDTPSVSQO-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM O=[N+]([O-])c1c([N-]c2cnn(CC(F)F)c2)nc2ccccn21 ZINC000735075590 633458895 /nfs/dbraw/zinc/45/88/95/633458895.db2.gz DMCDZPJGJPQCGB-UHFFFAOYSA-N -1 1 308.248 2.448 20 5 DEBDMM 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DEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c(F)c1 ZINC000416600968 228866522 /nfs/dbraw/zinc/86/65/22/228866522.db2.gz YKCQWWVIYUYMBM-MWLCHTKSSA-N -1 1 320.317 2.293 20 5 DEBDMM Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000436609895 425032398 /nfs/dbraw/zinc/03/23/98/425032398.db2.gz WUPDKVCXLOCXHX-UHFFFAOYSA-N -1 1 312.285 2.737 20 5 DEBDMM Cc1cc(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2[nH]1 ZINC000430207937 269126791 /nfs/dbraw/zinc/12/67/91/269126791.db2.gz NUXQXOORYAVYCP-UHFFFAOYSA-N -1 1 312.285 2.325 20 5 DEBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000248853478 288055365 /nfs/dbraw/zinc/05/53/65/288055365.db2.gz XSFICWMWIXKQDW-USWWRNFRSA-N -1 1 305.334 2.346 20 5 DEBDMM CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000584032338 331591365 /nfs/dbraw/zinc/59/13/65/331591365.db2.gz LFTXIGGWAUMUJR-SNVBAGLBSA-N -1 1 313.379 2.237 20 5 DEBDMM COC(=O)c1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000340585156 536720230 /nfs/dbraw/zinc/72/02/30/536720230.db2.gz PCISWKWQFGFKNQ-UHFFFAOYSA-N -1 1 307.237 2.101 20 5 DEBDMM COc1cc(/C=C(/C(=O)[O-])c2ccncc2)cc([N+](=O)[O-])c1O ZINC000737869912 599831060 /nfs/dbraw/zinc/83/10/60/599831060.db2.gz CBGFAHQIWKNZMN-IZZDOVSWSA-N -1 1 316.269 2.329 20 5 DEBDMM CN(Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)CNC(=O)[O-] ZINC000828350156 603548417 /nfs/dbraw/zinc/54/84/17/603548417.db2.gz BRVWUOAAMCQFBT-UHFFFAOYSA-N -1 1 313.329 2.460 20 5 DEBDMM O=C([O-])NC[C@@H]1CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000834221132 605617587 /nfs/dbraw/zinc/61/75/87/605617587.db2.gz PFUKSNHIFRQOEW-RJNRQISESA-N -1 1 305.334 2.340 20 5 DEBDMM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1Cl ZINC000826499807 608405939 /nfs/dbraw/zinc/40/59/39/608405939.db2.gz YIYKNUVKXWKABT-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1Cl ZINC000826499807 608405940 /nfs/dbraw/zinc/40/59/40/608405940.db2.gz YIYKNUVKXWKABT-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000007357272 638634844 /nfs/dbraw/zinc/63/48/44/638634844.db2.gz CUJBWJZLEWOWGM-UHFFFAOYSA-N -1 1 311.294 2.117 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C)CC=CC2)cc1F ZINC000867484603 687710785 /nfs/dbraw/zinc/71/07/85/687710785.db2.gz CXGMMLAJDAGOPZ-UHFFFAOYSA-N -1 1 314.338 2.429 20 5 DEBDMM CO[C@@H]1CC[C@H](C)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000872161515 688942210 /nfs/dbraw/zinc/94/22/10/688942210.db2.gz UXAPJYFBRGAPCQ-GXFFZTMASA-N -1 1 308.334 2.292 20 5 DEBDMM CN(C)C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC001140969600 796608984 /nfs/dbraw/zinc/60/89/84/796608984.db2.gz RDLYKMKLLVYFJU-UHFFFAOYSA-N -1 1 317.305 2.269 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001160096546 798647493 /nfs/dbraw/zinc/64/74/93/798647493.db2.gz MVLBFCXSYIGYLF-ZCFIWIBFSA-N -1 1 308.269 2.213 20 5 DEBDMM CN(C)C(=O)c1cccc(Nc2cc(O)cc([N+](=O)[O-])c2)c1[O-] ZINC001201229052 798723116 /nfs/dbraw/zinc/72/31/16/798723116.db2.gz ASWSLGRPWNFVBB-UHFFFAOYSA-N -1 1 317.301 2.451 20 5 DEBDMM O=c1c2ccc([O-])cc2oc2cc(OC[C@H]3COCO3)ccc12 ZINC001229515700 801288029 /nfs/dbraw/zinc/28/80/29/801288029.db2.gz CPZXCRRJZHRXAG-GFCCVEGCSA-N -1 1 314.293 2.404 20 5 DEBDMM NC(=O)c1ccc(Cl)nc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393399 801389557 /nfs/dbraw/zinc/38/95/57/801389557.db2.gz SLKDSBKSJGTOQW-UHFFFAOYSA-N -1 1 308.681 2.191 20 5 DEBDMM COC(=O)[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001225666808 802999780 /nfs/dbraw/zinc/99/97/80/802999780.db2.gz MWANMNXLDZCKQW-GFCCVEGCSA-N -1 1 322.248 2.128 20 5 DEBDMM COC(=O)[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001225666808 802999786 /nfs/dbraw/zinc/99/97/86/802999786.db2.gz MWANMNXLDZCKQW-GFCCVEGCSA-N -1 1 322.248 2.128 20 5 DEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1 ZINC001602404457 1069628457 /nfs/dbraw/zinc/62/84/57/1069628457.db2.gz ZFUGQRWLPLKJNK-GDBMZVCRSA-N -1 1 320.345 2.030 20 5 DEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC001602404416 1069628765 /nfs/dbraw/zinc/62/87/65/1069628765.db2.gz KWTXCTVNLIUHIT-JQWIXIFHSA-N -1 1 320.349 2.117 20 5 DEBDMM C[C@@H](c1cccc(Cl)c1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001603734177 1070064176 /nfs/dbraw/zinc/06/41/76/1070064176.db2.gz BRLRXVQQKKFLEU-ZETCQYMHSA-N -1 1 319.712 2.234 20 5 DEBDMM CC[C@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H]1C ZINC001604105194 1070222995 /nfs/dbraw/zinc/22/29/95/1070222995.db2.gz BRJYDESWQYECEL-YUMQZZPRSA-N -1 1 308.367 2.461 20 5 DEBDMM CC[C@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H]1C ZINC001604105194 1070222987 /nfs/dbraw/zinc/22/29/87/1070222987.db2.gz BRJYDESWQYECEL-YUMQZZPRSA-N -1 1 308.367 2.461 20 5 DEBDMM CO[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605030892 1070585000 /nfs/dbraw/zinc/58/50/00/1070585000.db2.gz QRMKCSQPXXGYKC-RNCFNFMXSA-N -1 1 318.337 2.002 20 5 DEBDMM COCCC(C)(C)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001605078772 1070606132 /nfs/dbraw/zinc/60/61/32/1070606132.db2.gz LSWGWNZOWRYUOL-UHFFFAOYSA-N -1 1 320.353 2.250 20 5 DEBDMM COCCC(C)(C)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001605078772 1070606139 /nfs/dbraw/zinc/60/61/39/1070606139.db2.gz LSWGWNZOWRYUOL-UHFFFAOYSA-N -1 1 320.353 2.250 20 5 DEBDMM Cc1cc(N2CCCC3(CC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605694213 1070847145 /nfs/dbraw/zinc/84/71/45/1070847145.db2.gz CNRQFZLMTPIGRO-UHFFFAOYSA-N -1 1 314.349 2.464 20 5 DEBDMM Cc1cc(N2CCCC3(CC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605694213 1070847180 /nfs/dbraw/zinc/84/71/80/1070847180.db2.gz CNRQFZLMTPIGRO-UHFFFAOYSA-N -1 1 314.349 2.464 20 5 DEBDMM Cc1ccc(COc2cccnc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605859272 1070949687 /nfs/dbraw/zinc/94/96/87/1070949687.db2.gz RADUVFBXTDTYAK-UHFFFAOYSA-N -1 1 312.289 2.057 20 5 DEBDMM Cc1ccc(COc2cccnc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605859272 1070949700 /nfs/dbraw/zinc/94/97/00/1070949700.db2.gz RADUVFBXTDTYAK-UHFFFAOYSA-N -1 1 312.289 2.057 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCCC2(CC2)C1 ZINC001607086503 1071292392 /nfs/dbraw/zinc/29/23/92/1071292392.db2.gz YGVVJBPHVPJMFK-UHFFFAOYSA-N -1 1 306.351 2.217 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCCC2(CC2)C1 ZINC001607086503 1071292393 /nfs/dbraw/zinc/29/23/93/1071292393.db2.gz YGVVJBPHVPJMFK-UHFFFAOYSA-N -1 1 306.351 2.217 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001637953230 1078541310 /nfs/dbraw/zinc/54/13/10/1078541310.db2.gz WGASEFRJXYUTIJ-UHFFFAOYSA-N -1 1 312.232 2.062 20 5 DEBDMM O=C(Nc1cc([O-])c(F)cc1F)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001642154605 1078743312 /nfs/dbraw/zinc/74/33/12/1078743312.db2.gz IQEJRNMAVHQSSE-CYBMUJFWSA-N -1 1 324.239 2.251 20 5 DEBDMM O=C(Nc1cnn([C@@H]2CCCCO2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001642384764 1078753123 /nfs/dbraw/zinc/75/31/23/1078753123.db2.gz AQENHOOHIAQKDE-LBPRGKRZSA-N -1 1 305.294 2.071 20 5 DEBDMM O=C(Nc1cccc2c1OCCCO2)c1ccc([N+](=O)[O-])[n-]1 ZINC001644203129 1078834030 /nfs/dbraw/zinc/83/40/30/1078834030.db2.gz ZDZPXXNDIWVIGV-UHFFFAOYSA-N -1 1 303.274 2.337 20 5 DEBDMM C[C@@]1(F)CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590141255 1076573501 /nfs/dbraw/zinc/57/35/01/1076573501.db2.gz GHIYCCVBWNAKMB-LLVKDONJSA-N -1 1 312.330 2.165 20 5 DEBDMM C[C@@]1(F)CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590141255 1076573505 /nfs/dbraw/zinc/57/35/05/1076573505.db2.gz GHIYCCVBWNAKMB-LLVKDONJSA-N -1 1 312.330 2.165 20 5 DEBDMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H]1C ZINC001590276706 1076605758 /nfs/dbraw/zinc/60/57/58/1076605758.db2.gz POFQYTSCBJKLFW-JGVFFNPUSA-N -1 1 308.367 2.319 20 5 DEBDMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H]1C ZINC001590276706 1076605760 /nfs/dbraw/zinc/60/57/60/1076605760.db2.gz POFQYTSCBJKLFW-JGVFFNPUSA-N -1 1 308.367 2.319 20 5 DEBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](C)S1 ZINC001590315954 1076610414 /nfs/dbraw/zinc/61/04/14/1076610414.db2.gz OJOJLZHXXWIFSF-IUCAKERBSA-N -1 1 320.378 2.105 20 5 DEBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H](C)S1 ZINC001590315954 1076610415 /nfs/dbraw/zinc/61/04/15/1076610415.db2.gz OJOJLZHXXWIFSF-IUCAKERBSA-N -1 1 320.378 2.105 20 5 DEBDMM CCCN(CC(F)F)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590622532 1076661688 /nfs/dbraw/zinc/66/16/88/1076661688.db2.gz AROBERZLJXDLJW-UHFFFAOYSA-N -1 1 318.309 2.318 20 5 DEBDMM CCCN(CC(F)F)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590622532 1076661689 /nfs/dbraw/zinc/66/16/89/1076661689.db2.gz AROBERZLJXDLJW-UHFFFAOYSA-N -1 1 318.309 2.318 20 5 DEBDMM COCC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1 ZINC001591389653 1076738250 /nfs/dbraw/zinc/73/82/50/1076738250.db2.gz QUQFMENYUFCRLF-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM COCC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1 ZINC001591389653 1076738253 /nfs/dbraw/zinc/73/82/53/1076738253.db2.gz QUQFMENYUFCRLF-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM O=[N+]([O-])c1c(S[C@@H]2CCCOC2)cccc1-c1nnn[n-]1 ZINC001593468331 1077005297 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O=[N+]([O-])c1cc(Cl)ccc1Oc1cncc(-c2nn[n-]n2)n1 ZINC001593471628 1077007621 /nfs/dbraw/zinc/00/76/21/1077007621.db2.gz PYPAXDREYWMBGI-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1ccc(Sc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001593479307 1077009173 /nfs/dbraw/zinc/00/91/73/1077009173.db2.gz AUIXKIFQBNOGTG-UHFFFAOYSA-N -1 1 318.293 2.460 20 5 DEBDMM C[C@@H]1OCC[C@H]1Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609179426 1077786502 /nfs/dbraw/zinc/78/65/02/1077786502.db2.gz RGCLUTPYOJPNTQ-IONNQARKSA-N -1 1 307.335 2.044 20 5 DEBDMM C[C@@H]1OCC[C@H]1Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609179426 1077786505 /nfs/dbraw/zinc/78/65/05/1077786505.db2.gz RGCLUTPYOJPNTQ-IONNQARKSA-N -1 1 307.335 2.044 20 5 DEBDMM O=[N+]([O-])c1cc(N2C[C@H]3CCCC[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001609601229 1077881004 /nfs/dbraw/zinc/88/10/04/1077881004.db2.gz SBHRBQDXVMCOIL-GHMZBOCLSA-N -1 1 314.349 2.401 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@H](C2CCC2)C1 ZINC001609599576 1077881383 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2.206 20 5 DEBDMM Cc1cc(NCC2CC=CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605731494 1070882725 /nfs/dbraw/zinc/88/27/25/1070882725.db2.gz OIRWMIODJQFBRB-UHFFFAOYSA-N -1 1 300.322 2.461 20 5 DEBDMM Cc1cc(NCC2CC=CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605731494 1070882740 /nfs/dbraw/zinc/88/27/40/1070882740.db2.gz OIRWMIODJQFBRB-UHFFFAOYSA-N -1 1 300.322 2.461 20 5 DEBDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(F)c([O-])c1 ZINC001568440086 1064872444 /nfs/dbraw/zinc/87/24/44/1064872444.db2.gz LOXLFTYYHFMXPA-UHFFFAOYSA-N -1 1 304.277 2.412 20 5 DEBDMM O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001638810549 1078580810 /nfs/dbraw/zinc/58/08/10/1078580810.db2.gz KCXFYPHCMZRGPH-WFASDCNBSA-N -1 1 317.276 2.063 20 5 DEBDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC001561147718 1075152030 /nfs/dbraw/zinc/15/20/30/1075152030.db2.gz KDXVLEZNACOCAN-LLVKDONJSA-N -1 1 321.358 2.338 20 5 DEBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1ccnc(-c2nn[n-]n2)n1 ZINC001582803636 1076185470 /nfs/dbraw/zinc/18/54/70/1076185470.db2.gz OVXIEMNGSWATDN-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM C[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC(F)F ZINC001589877171 1076523430 /nfs/dbraw/zinc/52/34/30/1076523430.db2.gz OTNYLKBMRQKNLD-ZETCQYMHSA-N -1 1 312.280 2.478 20 5 DEBDMM C[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC(F)F ZINC001589877171 1076523435 /nfs/dbraw/zinc/52/34/35/1076523435.db2.gz OTNYLKBMRQKNLD-ZETCQYMHSA-N -1 1 312.280 2.478 20 5 DEBDMM CC1(C)CC[C@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])O1 ZINC001590090419 1076560261 /nfs/dbraw/zinc/56/02/61/1076560261.db2.gz ISGQKLMNVLNFCQ-SSDOTTSWSA-N -1 1 324.366 2.206 20 5 DEBDMM CC1(C)CC[C@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])O1 ZINC001590090419 1076560263 /nfs/dbraw/zinc/56/02/63/1076560263.db2.gz ISGQKLMNVLNFCQ-SSDOTTSWSA-N -1 1 324.366 2.206 20 5 DEBDMM C[C@@H]1C[C@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001590193783 1076581392 /nfs/dbraw/zinc/58/13/92/1076581392.db2.gz NJLGRBKJBPBERX-HTQZYQBOSA-N -1 1 324.366 2.063 20 5 DEBDMM C[C@@H]1C[C@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001590193783 1076581399 /nfs/dbraw/zinc/58/13/99/1076581399.db2.gz NJLGRBKJBPBERX-HTQZYQBOSA-N -1 1 324.366 2.063 20 5 DEBDMM C[C@H]1CC[C@H](C)N(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590226616 1076590837 /nfs/dbraw/zinc/59/08/37/1076590837.db2.gz DRAHNWBUNVTQOA-YUMQZZPRSA-N -1 1 308.367 2.461 20 5 DEBDMM C[C@H]1CC[C@H](C)N(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590226616 1076590844 /nfs/dbraw/zinc/59/08/44/1076590844.db2.gz DRAHNWBUNVTQOA-YUMQZZPRSA-N -1 1 308.367 2.461 20 5 DEBDMM CCC1(CC)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590492104 1076639030 /nfs/dbraw/zinc/63/90/30/1076639030.db2.gz AHOPFKVRFVHPOL-UHFFFAOYSA-N -1 1 302.338 2.401 20 5 DEBDMM CCC1(CC)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590492104 1076639032 /nfs/dbraw/zinc/63/90/32/1076639032.db2.gz AHOPFKVRFVHPOL-UHFFFAOYSA-N -1 1 302.338 2.401 20 5 DEBDMM CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1(C)C ZINC001591350761 1076731283 /nfs/dbraw/zinc/73/12/83/1076731283.db2.gz VTPMNKRKFGNZSC-RYUDHWBXSA-N -1 1 318.337 2.000 20 5 DEBDMM CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1(C)C ZINC001591350761 1076731287 /nfs/dbraw/zinc/73/12/87/1076731287.db2.gz VTPMNKRKFGNZSC-RYUDHWBXSA-N -1 1 318.337 2.000 20 5 DEBDMM Cc1cc(N[C@H]2CSC[C@@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592038982 1076835399 /nfs/dbraw/zinc/83/53/99/1076835399.db2.gz GWYVNRZGGSDWEM-KWQFWETISA-N -1 1 320.378 2.247 20 5 DEBDMM Cc1cc(N[C@H]2CSC[C@@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592038982 1076835404 /nfs/dbraw/zinc/83/54/04/1076835404.db2.gz GWYVNRZGGSDWEM-KWQFWETISA-N -1 1 320.378 2.247 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593465733 1077005076 /nfs/dbraw/zinc/00/50/76/1077005076.db2.gz XZZDMVOSXKGGSZ-BBBLOLIVSA-N -1 1 315.337 2.018 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593465733 1077005079 /nfs/dbraw/zinc/00/50/79/1077005079.db2.gz 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ZINC001593488668 1077010842 /nfs/dbraw/zinc/01/08/42/1077010842.db2.gz KFHBZDNRVKODIO-UHFFFAOYSA-N -1 1 324.366 2.208 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@H](C2CC2)C1 ZINC001593486929 1077010892 /nfs/dbraw/zinc/01/08/92/1077010892.db2.gz AOVZRBUPDPUUCD-QMMMGPOBSA-N -1 1 306.351 2.073 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@H](C2CC2)C1 ZINC001593486929 1077010896 /nfs/dbraw/zinc/01/08/96/1077010896.db2.gz AOVZRBUPDPUUCD-QMMMGPOBSA-N -1 1 306.351 2.073 20 5 DEBDMM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])cc1F ZINC001601640315 1077423240 /nfs/dbraw/zinc/42/32/40/1077423240.db2.gz LIDWFCAKQUGWEH-SECBINFHSA-N -1 1 310.203 2.229 20 5 DEBDMM O=C([O-])C[N@H+](CCC(F)(F)F)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001602053725 1077500591 /nfs/dbraw/zinc/50/05/91/1077500591.db2.gz OZWFTPWVCWRGOI-UHFFFAOYSA-N -1 1 322.239 2.139 20 5 DEBDMM O=C([O-])C[N@@H+](CCC(F)(F)F)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001602053725 1077500593 /nfs/dbraw/zinc/50/05/93/1077500593.db2.gz OZWFTPWVCWRGOI-UHFFFAOYSA-N -1 1 322.239 2.139 20 5 DEBDMM O=C([O-])CN(CCC(F)(F)F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001602053725 1077500595 /nfs/dbraw/zinc/50/05/95/1077500595.db2.gz OZWFTPWVCWRGOI-UHFFFAOYSA-N -1 1 322.239 2.139 20 5 DEBDMM O=C([O-])c1c(Cl)ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1Cl ZINC001602227378 1077530230 /nfs/dbraw/zinc/53/02/30/1077530230.db2.gz IOHZDAYAKXISFM-CLZZGJSISA-N -1 1 319.100 2.295 20 5 DEBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C(C)(C)CC(=O)[O-] ZINC001607864158 1077547497 /nfs/dbraw/zinc/54/74/97/1077547497.db2.gz KHALIIQXICZJAF-UHFFFAOYSA-N -1 1 323.349 2.027 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001609156066 1077776297 /nfs/dbraw/zinc/77/62/97/1077776297.db2.gz BJONOMVSXZIIPI-ZJUUUORDSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001609156066 1077776302 /nfs/dbraw/zinc/77/63/02/1077776302.db2.gz BJONOMVSXZIIPI-ZJUUUORDSA-N -1 1 318.337 2.002 20 5 DEBDMM NC(=O)c1ccnc([N-]c2cnn(C3CCCC3)c2)c1[N+](=O)[O-] ZINC001652249949 1079861061 /nfs/dbraw/zinc/86/10/61/1079861061.db2.gz MAJHAGDCNNUTSI-UHFFFAOYSA-N -1 1 316.321 2.144 20 5 DEBDMM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC001128883207 1086433498 /nfs/dbraw/zinc/43/34/98/1086433498.db2.gz YHWOHDSUSMFDCU-UHFFFAOYSA-N -1 1 318.186 2.137 20 5 DEBDMM Cc1ncc(Cl)cc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893949 1087758725 /nfs/dbraw/zinc/75/87/25/1087758725.db2.gz HCDSZHZDWPXTRU-UHFFFAOYSA-N -1 1 306.669 2.392 20 5 DEBDMM Cc1nc(SCc2cn(C)nc2[N+](=O)[O-])[n-]c(=O)c1C1CC1 ZINC001307383486 1147423322 /nfs/dbraw/zinc/42/33/22/1147423322.db2.gz XFHMGRKOHHYZAR-UHFFFAOYSA-N -1 1 321.362 2.302 20 5 DEBDMM COC(=O)CC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000092434081 355632581 /nfs/dbraw/zinc/63/25/81/355632581.db2.gz UBUSVQHCEPCWTR-UHFFFAOYSA-N -1 1 308.334 2.076 20 5 DEBDMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000579090037 356918185 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CCOC(=O)c1ccnc([N-]c2cnn(CCF)c2)c1[N+](=O)[O-] ZINC000599142615 359413581 /nfs/dbraw/zinc/41/35/81/359413581.db2.gz YMOQYUUJKTWGNZ-UHFFFAOYSA-N -1 1 323.284 2.076 20 5 DEBDMM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610352902 361388071 /nfs/dbraw/zinc/38/80/71/361388071.db2.gz OPSDMILHNOUYRB-CZUORRHYSA-N -1 1 313.313 2.155 20 5 DEBDMM CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000007921383 181507672 /nfs/dbraw/zinc/50/76/72/181507672.db2.gz HGSSZFIZPIGVAG-UHFFFAOYSA-N -1 1 308.319 2.270 20 5 DEBDMM COc1ccc([N+](=O)[O-])cc1CN1CCC(CC(=O)[O-])CC1 ZINC000317675755 291699835 /nfs/dbraw/zinc/69/98/35/291699835.db2.gz PCAIDFZAOGZSRT-UHFFFAOYSA-N -1 1 308.334 2.290 20 5 DEBDMM CCCCCc1nnc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])s1 ZINC000548412853 285734482 /nfs/dbraw/zinc/73/44/82/285734482.db2.gz DFFMMYQJVMOKJZ-UHFFFAOYSA-N -1 1 310.339 2.154 20 5 DEBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-n4cccn4)n3)no2)[n-]1 ZINC000357016739 147023345 /nfs/dbraw/zinc/02/33/45/147023345.db2.gz NHOPISWIVSSWOZ-UHFFFAOYSA-N -1 1 323.272 2.221 20 5 DEBDMM CSc1ccc(C(=O)Nc2ccncc2[O-])cc1[N+](=O)[O-] ZINC000358342151 147116394 /nfs/dbraw/zinc/11/63/94/147116394.db2.gz SMVGAMVBUMJQEL-UHFFFAOYSA-N -1 1 305.315 2.092 20 5 DEBDMM Cc1c(CN2CCSC[C@@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000091132290 401994601 /nfs/dbraw/zinc/99/46/01/401994601.db2.gz VDOTVKMCTOBGBL-LBPRGKRZSA-N -1 1 310.375 2.295 20 5 DEBDMM CC(C)C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000272227337 402911784 /nfs/dbraw/zinc/91/17/84/402911784.db2.gz LIPYEOFMSYUVPX-PWSUYJOCSA-N -1 1 323.349 2.019 20 5 DEBDMM CCn1nc(C)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)n1 ZINC000298196733 403328909 /nfs/dbraw/zinc/32/89/09/403328909.db2.gz XAIQBJKRRLDFPJ-UHFFFAOYSA-N -1 1 311.248 2.045 20 5 DEBDMM O=C([O-])C1(CC(=O)Nc2ccc([N+](=O)[O-])cc2O)CCCC1 ZINC000293426713 403469184 /nfs/dbraw/zinc/46/91/84/403469184.db2.gz SAPSNYZZNSERMJ-UHFFFAOYSA-N -1 1 308.290 2.274 20 5 DEBDMM CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1F ZINC000340548122 403643257 /nfs/dbraw/zinc/64/32/57/403643257.db2.gz YFTWTWCSKASOKR-UHFFFAOYSA-N -1 1 306.253 2.273 20 5 DEBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344181152 403961583 /nfs/dbraw/zinc/96/15/83/403961583.db2.gz QRLSIWHYRQFBQL-UHFFFAOYSA-N -1 1 319.174 2.123 20 5 DEBDMM COC1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000352949949 404702159 /nfs/dbraw/zinc/70/21/59/404702159.db2.gz VNMVJVRAJUIDEY-UHFFFAOYSA-N -1 1 323.349 2.021 20 5 DEBDMM Cc1sc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000451074503 406040151 /nfs/dbraw/zinc/04/01/51/406040151.db2.gz WWZAXGQXAPDDMA-ZCFIWIBFSA-N -1 1 314.335 2.287 20 5 DEBDMM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(F)F ZINC000451077814 406041436 /nfs/dbraw/zinc/04/14/36/406041436.db2.gz DJVFYLBVSHNOSH-MRVPVSSYSA-N -1 1 308.306 2.225 20 5 DEBDMM C[C@@H]1C[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000572408812 406662385 /nfs/dbraw/zinc/66/23/85/406662385.db2.gz MGOGVGKBXAJRLV-ZYHUDNBSSA-N -1 1 319.361 2.259 20 5 DEBDMM Cc1cccc(Oc2nc3c(cnn3C)c(=O)[n-]2)c1[N+](=O)[O-] ZINC000356785727 281250886 /nfs/dbraw/zinc/25/08/86/281250886.db2.gz YHNWTARSCJRQLG-UHFFFAOYSA-N -1 1 301.262 2.078 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H]1Cc1ccccc1 ZINC000445011703 534767750 /nfs/dbraw/zinc/76/77/50/534767750.db2.gz WSYBKSMLQMZUHN-ZDUSSCGKSA-N -1 1 313.313 2.153 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2ccc(F)cc2F)c(-c2nnn[n-]2)c1 ZINC000823651936 599300904 /nfs/dbraw/zinc/30/09/04/599300904.db2.gz SBIVYKXHKPHWDM-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2ccc(F)cc2F)c(-c2nn[n-]n2)c1 ZINC000823651936 599300905 /nfs/dbraw/zinc/30/09/05/599300905.db2.gz SBIVYKXHKPHWDM-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM COc1cc(/C=C(\C(=O)[O-])c2ccncc2)cc([N+](=O)[O-])c1O ZINC000737869914 599830957 /nfs/dbraw/zinc/83/09/57/599830957.db2.gz CBGFAHQIWKNZMN-WDZFZDKYSA-N -1 1 316.269 2.329 20 5 DEBDMM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCCCN1C(=O)[O-] ZINC000825601768 604117176 /nfs/dbraw/zinc/11/71/76/604117176.db2.gz CAHUDYYMVPIGHS-WCBMZHEXSA-N -1 1 311.294 2.001 20 5 DEBDMM CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828355288 605479897 /nfs/dbraw/zinc/47/98/97/605479897.db2.gz KYBBTFFMFNOWIB-JTQLQIEISA-N -1 1 313.741 2.432 20 5 DEBDMM O=C([O-])c1csc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000833784619 605718715 /nfs/dbraw/zinc/71/87/15/605718715.db2.gz FIXHCKHRXWYOLR-UHFFFAOYSA-N -1 1 308.271 2.312 20 5 DEBDMM Cc1ccsc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822380123 606703202 /nfs/dbraw/zinc/70/32/02/606703202.db2.gz YWXHLKZQADZRRL-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM Cc1ccsc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822380123 606703203 /nfs/dbraw/zinc/70/32/03/606703203.db2.gz YWXHLKZQADZRRL-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCc2ccccc21 ZINC000823621155 607165544 /nfs/dbraw/zinc/16/55/44/607165544.db2.gz XENUQEQAOCQJGY-GFCCVEGCSA-N -1 1 323.316 2.269 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCc2ccccc21 ZINC000823621155 607165546 /nfs/dbraw/zinc/16/55/46/607165546.db2.gz XENUQEQAOCQJGY-GFCCVEGCSA-N -1 1 323.316 2.269 20 5 DEBDMM C[C@@H]1CCC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820696771 607167479 /nfs/dbraw/zinc/16/74/79/607167479.db2.gz CEQDPWNLNIDVLS-BDAKNGLRSA-N -1 1 303.326 2.161 20 5 DEBDMM C[C@@H]1CCC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820696771 607167481 /nfs/dbraw/zinc/16/74/81/607167481.db2.gz CEQDPWNLNIDVLS-BDAKNGLRSA-N -1 1 303.326 2.161 20 5 DEBDMM O=[N+]([O-])c1cc(N(CC2CC2)CC2CC2)ccc1-c1nn[n-]n1 ZINC000826498154 607842416 /nfs/dbraw/zinc/84/24/16/607842416.db2.gz JCZRCFVMHXCOAD-UHFFFAOYSA-N -1 1 314.349 2.401 20 5 DEBDMM O=C(Nc1ncccc1[O-])C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778504996 642400549 /nfs/dbraw/zinc/40/05/49/642400549.db2.gz UQMRUYDEQZOILN-UHFFFAOYSA-N -1 1 309.228 2.426 20 5 DEBDMM C[C@@H]1CC=CC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000908337315 644824876 /nfs/dbraw/zinc/82/48/76/644824876.db2.gz ZJMSDWZWYUACLG-MWLCHTKSSA-N -1 1 314.338 2.367 20 5 DEBDMM O=C(CSCc1ccco1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000797032391 644828036 /nfs/dbraw/zinc/82/80/36/644828036.db2.gz XMVQWWYRXHVKSX-UHFFFAOYSA-N -1 1 320.326 2.378 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1ccccc1 ZINC000047670677 683911082 /nfs/dbraw/zinc/91/10/82/683911082.db2.gz UPEVGGNUBMLNPD-UHFFFAOYSA-N -1 1 324.333 2.255 20 5 DEBDMM Cc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000872160190 688942073 /nfs/dbraw/zinc/94/20/73/688942073.db2.gz CWWLDVRFRIFUHA-LBPRGKRZSA-N -1 1 310.375 2.295 20 5 DEBDMM C[C@@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C(F)F ZINC000883161821 691444873 /nfs/dbraw/zinc/44/48/73/691444873.db2.gz BWORWESHWPSGSI-ZCFIWIBFSA-N -1 1 310.203 2.336 20 5 DEBDMM O=c1nc2nc[nH]c2c(Nc2ccc3ncccc3c2[N+](=O)[O-])[n-]1 ZINC001170231503 786857040 /nfs/dbraw/zinc/85/70/40/786857040.db2.gz CHLGIRCPNXIWQZ-UHFFFAOYSA-N -1 1 323.272 2.259 20 5 DEBDMM Cn1c(=O)oc2cc([N-]C(=O)c3ccc([N+](=O)[O-])o3)c(F)cc21 ZINC001129671972 787235015 /nfs/dbraw/zinc/23/50/15/787235015.db2.gz HWVYGJVHOZYSOF-UHFFFAOYSA-N -1 1 321.220 2.024 20 5 DEBDMM COc1ccc2nc(Nc3cc([O-])cc([N+](=O)[O-])c3)nnc2c1 ZINC001199801708 798541652 /nfs/dbraw/zinc/54/16/52/798541652.db2.gz HLRRVCSFNATHLR-UHFFFAOYSA-N -1 1 313.273 2.391 20 5 DEBDMM O=[N+]([O-])c1ccc([O-])c(OC2CCN(c3ncccn3)CC2)c1 ZINC001229397279 801269344 /nfs/dbraw/zinc/26/93/44/801269344.db2.gz GKQKJRNDWJRTNQ-UHFFFAOYSA-N -1 1 316.317 2.138 20 5 DEBDMM O=[N+]([O-])c1cc(Nc2cccc(S(=O)(=O)[O-])c2)ccc1O ZINC001210395235 801390533 /nfs/dbraw/zinc/39/05/33/801390533.db2.gz SBAYXTFFZSYEIN-UHFFFAOYSA-N -1 1 310.287 2.291 20 5 DEBDMM CC[N@H+]1CCC[C@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231223524 801610190 /nfs/dbraw/zinc/61/01/90/801610190.db2.gz GTDXGOFBXLMNCA-VIFPVBQESA-N -1 1 311.294 2.072 20 5 DEBDMM CCN1CCC[C@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231223524 801610192 /nfs/dbraw/zinc/61/01/92/801610192.db2.gz GTDXGOFBXLMNCA-VIFPVBQESA-N -1 1 311.294 2.072 20 5 DEBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@H]2COc3ccccc3O2)n1 ZINC001231261123 801620348 /nfs/dbraw/zinc/62/03/48/801620348.db2.gz YNEPGNBALPCEJG-SNVBAGLBSA-N -1 1 318.285 2.223 20 5 DEBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCC[C@@H]1C ZINC001226307265 803085918 /nfs/dbraw/zinc/08/59/18/803085918.db2.gz HCXOPUQRJXFFJZ-WPRPVWTQSA-N -1 1 310.306 2.440 20 5 DEBDMM COc1cc(CN([C@@H](C)C(=O)[O-])C2CC2)c([N+](=O)[O-])cc1F ZINC001594056245 958038690 /nfs/dbraw/zinc/03/86/90/958038690.db2.gz LZGBFBZISAYVPG-QMMMGPOBSA-N -1 1 312.297 2.180 20 5 DEBDMM C[C@@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccccc1[N+](=O)[O-] ZINC001599841439 988841711 /nfs/dbraw/zinc/84/17/11/988841711.db2.gz HSSCBFPYPPGVFT-SNVBAGLBSA-N -1 1 303.318 2.482 20 5 DEBDMM CC(C)[C@H]1CCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001591094371 991671406 /nfs/dbraw/zinc/67/14/06/991671406.db2.gz JVMRUZLCAFYVDC-GFCCVEGCSA-N -1 1 308.334 2.289 20 5 DEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+](C2CC2)C2(CO)CCC2)c1 ZINC001602405589 1069629565 /nfs/dbraw/zinc/62/95/65/1069629565.db2.gz YLKSDKOJWBNHFQ-UHFFFAOYSA-N -1 1 320.345 2.172 20 5 DEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN(C2CC2)C2(CO)CCC2)c1 ZINC001602405589 1069629571 /nfs/dbraw/zinc/62/95/71/1069629571.db2.gz YLKSDKOJWBNHFQ-UHFFFAOYSA-N -1 1 320.345 2.172 20 5 DEBDMM CCCCOCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604187895 1070272141 /nfs/dbraw/zinc/27/21/41/1070272141.db2.gz BHLNPMBFNCDLOE-UHFFFAOYSA-N -1 1 306.326 2.004 20 5 DEBDMM CCCCOCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604187895 1070272151 /nfs/dbraw/zinc/27/21/51/1070272151.db2.gz BHLNPMBFNCDLOE-UHFFFAOYSA-N -1 1 306.326 2.004 20 5 DEBDMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC001528205803 1070637083 /nfs/dbraw/zinc/63/70/83/1070637083.db2.gz QEQFZVYKWPLLAG-UHFFFAOYSA-N -1 1 314.301 2.222 20 5 DEBDMM O=C(Oc1cccc([N+](=O)[O-])c1)c1ccsc1-c1nnn[n-]1 ZINC001606990840 1071269558 /nfs/dbraw/zinc/26/95/58/1071269558.db2.gz VDVMDJXVPYCZSQ-UHFFFAOYSA-N -1 1 317.286 2.056 20 5 DEBDMM O=C(Oc1cccc([N+](=O)[O-])c1)c1ccsc1-c1nn[n-]n1 ZINC001606990840 1071269563 /nfs/dbraw/zinc/26/95/63/1071269563.db2.gz VDVMDJXVPYCZSQ-UHFFFAOYSA-N -1 1 317.286 2.056 20 5 DEBDMM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001569010546 1065240554 /nfs/dbraw/zinc/24/05/54/1065240554.db2.gz DIHANKANNHRXRS-UHFFFAOYSA-N -1 1 309.228 2.413 20 5 DEBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1cccc([O-])c1F ZINC001624458065 1078222969 /nfs/dbraw/zinc/22/29/69/1078222969.db2.gz NLPCWKDBRAIFLW-UHFFFAOYSA-N -1 1 304.277 2.412 20 5 DEBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n[nH]c1C(F)(F)F ZINC001626996661 1078268383 /nfs/dbraw/zinc/26/83/83/1078268383.db2.gz FJUFGNKFNZYGER-UHFFFAOYSA-N -1 1 303.200 2.226 20 5 DEBDMM CSc1ncc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC001629062409 1078309209 /nfs/dbraw/zinc/30/92/09/1078309209.db2.gz FCKHRILJWOOUIH-UHFFFAOYSA-N -1 1 320.330 2.373 20 5 DEBDMM Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001644862448 1078866718 /nfs/dbraw/zinc/86/67/18/1078866718.db2.gz XLKLLXNHCQUIOS-UHFFFAOYSA-N -1 1 321.720 2.466 20 5 DEBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc([O-])c1F ZINC001566787292 1075344297 /nfs/dbraw/zinc/34/42/97/1075344297.db2.gz YETZTYVEBURMHR-UHFFFAOYSA-N -1 1 320.276 2.378 20 5 DEBDMM Cc1ccc(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC001581193477 1076048975 /nfs/dbraw/zinc/04/89/75/1076048975.db2.gz HTEIYCRNUJPCIW-UHFFFAOYSA-N -1 1 314.305 2.331 20 5 DEBDMM Cc1ccc(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC001581193477 1076048982 /nfs/dbraw/zinc/04/89/82/1076048982.db2.gz HTEIYCRNUJPCIW-UHFFFAOYSA-N -1 1 314.305 2.331 20 5 DEBDMM CC(C)O[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001589749978 1076510100 /nfs/dbraw/zinc/51/01/00/1076510100.db2.gz NYTUCQOHGQEMIH-PHIMTYICSA-N -1 1 318.337 2.143 20 5 DEBDMM CC(C)O[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001589749978 1076510103 /nfs/dbraw/zinc/51/01/03/1076510103.db2.gz NYTUCQOHGQEMIH-PHIMTYICSA-N -1 1 318.337 2.143 20 5 DEBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)CC(F)F ZINC001589876961 1076523448 /nfs/dbraw/zinc/52/34/48/1076523448.db2.gz ALGGPBCKVXTGDP-ZETCQYMHSA-N -1 1 312.280 2.478 20 5 DEBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)CC(F)F ZINC001589876961 1076523455 /nfs/dbraw/zinc/52/34/55/1076523455.db2.gz ALGGPBCKVXTGDP-ZETCQYMHSA-N -1 1 312.280 2.478 20 5 DEBDMM C[C@@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@@H](C)O1 ZINC001590193747 1076581630 /nfs/dbraw/zinc/58/16/30/1076581630.db2.gz TUIDRVWRUPSFEN-OPRDCNLKSA-N -1 1 318.337 2.000 20 5 DEBDMM C[C@@H]1CCCC[C@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590256081 1076601983 /nfs/dbraw/zinc/60/19/83/1076601983.db2.gz YHLPROJKYJGZIW-PRHODGIISA-N -1 1 317.353 2.348 20 5 DEBDMM C[C@@H]1CCCC[C@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590256081 1076601984 /nfs/dbraw/zinc/60/19/84/1076601984.db2.gz YHLPROJKYJGZIW-PRHODGIISA-N -1 1 317.353 2.348 20 5 DEBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@@H]1C ZINC001590276707 1076605890 /nfs/dbraw/zinc/60/58/90/1076605890.db2.gz POFQYTSCBJKLFW-SFYZADRCSA-N -1 1 308.367 2.319 20 5 DEBDMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@@H]1C ZINC001590276707 1076605893 /nfs/dbraw/zinc/60/58/93/1076605893.db2.gz POFQYTSCBJKLFW-SFYZADRCSA-N -1 1 308.367 2.319 20 5 DEBDMM CN(c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC001591155582 1076715363 /nfs/dbraw/zinc/71/53/63/1076715363.db2.gz ZOPJRRRUNONCJJ-UHFFFAOYSA-N -1 1 302.338 2.400 20 5 DEBDMM Cc1cc(NC[C@@H]2CCCCO2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592044720 1076837155 /nfs/dbraw/zinc/83/71/55/1076837155.db2.gz WMMXEBCZXCKSTQ-NSHDSACASA-N -1 1 318.337 2.064 20 5 DEBDMM Cc1cc(NC[C@@H]2CCCCO2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592044720 1076837160 /nfs/dbraw/zinc/83/71/60/1076837160.db2.gz WMMXEBCZXCKSTQ-NSHDSACASA-N -1 1 318.337 2.064 20 5 DEBDMM Cc1ccc([N+](=O)[O-])cc1OCc1nc(-c2nnn[n-]2)cs1 ZINC001592198007 1076873649 /nfs/dbraw/zinc/87/36/49/1076873649.db2.gz SJNSJEOZUIYQRX-UHFFFAOYSA-N -1 1 318.318 2.119 20 5 DEBDMM Cc1ccc([N+](=O)[O-])cc1OCc1nc(-c2nn[n-]n2)cs1 ZINC001592198007 1076873653 /nfs/dbraw/zinc/87/36/53/1076873653.db2.gz SJNSJEOZUIYQRX-UHFFFAOYSA-N -1 1 318.318 2.119 20 5 DEBDMM Cc1nc(NCc2ccc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-] ZINC001592395315 1076909563 /nfs/dbraw/zinc/90/95/63/1076909563.db2.gz GNBGVRUHGLIUPD-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM O=[N+]([O-])c1c(N[C@H]2CCC[C@@H]3C[C@@H]32)cccc1-c1nnn[n-]1 ZINC001593466065 1077005166 /nfs/dbraw/zinc/00/51/66/1077005166.db2.gz VTKWNAHEWGFOCL-MIMYLULJSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1c(N[C@H]2CCC[C@@H]3C[C@@H]32)cccc1-c1nn[n-]n1 ZINC001593466065 1077005170 /nfs/dbraw/zinc/00/51/70/1077005170.db2.gz VTKWNAHEWGFOCL-MIMYLULJSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1cc(NC[C@H]2CCCSC2)ccc1-c1nn[n-]n1 ZINC001593473485 1077007668 /nfs/dbraw/zinc/00/76/68/1077007668.db2.gz FCYHEOZZPSDUMS-SECBINFHSA-N -1 1 320.378 2.330 20 5 DEBDMM C[C@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1 ZINC001609168429 1077781579 /nfs/dbraw/zinc/78/15/79/1077781579.db2.gz BAXLGKIWXOJCIB-VIFPVBQESA-N -1 1 320.378 2.107 20 5 DEBDMM C[C@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1 ZINC001609168429 1077781581 /nfs/dbraw/zinc/78/15/81/1077781581.db2.gz BAXLGKIWXOJCIB-VIFPVBQESA-N -1 1 320.378 2.107 20 5 DEBDMM CC[C@@H](CSC)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609192064 1077791745 /nfs/dbraw/zinc/79/17/45/1077791745.db2.gz TTWGCBXFSKUGKH-QMMMGPOBSA-N -1 1 308.367 2.328 20 5 DEBDMM O=C([N-]n1ccccc1=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001650912481 1079779715 /nfs/dbraw/zinc/77/97/15/1079779715.db2.gz QBYQWJVDNRIFTG-UHFFFAOYSA-N -1 1 315.310 2.355 20 5 DEBDMM COc1cc(F)ccc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893057 1087756704 /nfs/dbraw/zinc/75/67/04/1087756704.db2.gz KNNUORQJIGGPJF-UHFFFAOYSA-N -1 1 305.225 2.183 20 5 DEBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc([O-])c(F)c1 ZINC000613504999 362132274 /nfs/dbraw/zinc/13/22/74/362132274.db2.gz TXDORIOFJYTHJO-UHFFFAOYSA-N -1 1 320.276 2.248 20 5 DEBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000146551583 186038287 /nfs/dbraw/zinc/03/82/87/186038287.db2.gz BTLXUBABEIRJBY-SSDOTTSWSA-N -1 1 304.755 2.325 20 5 DEBDMM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618379914 363477296 /nfs/dbraw/zinc/47/72/96/363477296.db2.gz XUKIWWPJRZBJFG-BBRMVZONSA-N -1 1 313.313 2.155 20 5 DEBDMM CSc1nnc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)s1 ZINC000350934873 356589368 /nfs/dbraw/zinc/58/93/68/356589368.db2.gz VGYNDWXBFWEXJZ-UHFFFAOYSA-N -1 1 310.320 2.213 20 5 DEBDMM C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1C(=O)[O-] ZINC000593748275 358136420 /nfs/dbraw/zinc/13/64/20/358136420.db2.gz KYCPLTPMYWPZQT-GXSJLCMTSA-N -1 1 319.317 2.279 20 5 DEBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](C)C1(F)F ZINC000600831498 359841590 /nfs/dbraw/zinc/84/15/90/359841590.db2.gz BZDFMZLURKNWLU-OCAPTIKFSA-N -1 1 315.276 2.059 20 5 DEBDMM Cc1ccccc1C[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193436933 201052205 /nfs/dbraw/zinc/05/22/05/201052205.db2.gz DDNLYVYLVKFVGM-LLVKDONJSA-N -1 1 315.329 2.365 20 5 DEBDMM O=C(N[C@H]1CSc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000344702451 284260039 /nfs/dbraw/zinc/26/00/39/284260039.db2.gz MOGUIYMLITYONL-NSHDSACASA-N -1 1 317.326 2.272 20 5 DEBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc2nn[nH]c21 ZINC000189827717 335063878 /nfs/dbraw/zinc/06/38/78/335063878.db2.gz ZFHFXHVQQLRNQV-UHFFFAOYSA-N -1 1 311.301 2.138 20 5 DEBDMM CC[C@H](C)n1ncc([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])c1C ZINC000357681609 133093498 /nfs/dbraw/zinc/09/34/98/133093498.db2.gz QDYMHDXLHBWBMO-QMMMGPOBSA-N -1 1 318.337 2.308 20 5 DEBDMM COC(=O)c1ccc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000359712940 133140645 /nfs/dbraw/zinc/14/06/45/133140645.db2.gz LKJGJRUGKVXKSP-UHFFFAOYSA-N -1 1 320.257 2.235 20 5 DEBDMM O=C(NCc1cccc2cc[nH]c21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000348857517 146322806 /nfs/dbraw/zinc/32/28/06/146322806.db2.gz VVMKNZQYFUZMPF-UHFFFAOYSA-N -1 1 312.285 2.107 20 5 DEBDMM Cc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000078379933 401848466 /nfs/dbraw/zinc/84/84/66/401848466.db2.gz MRQZUAVZYFENSQ-UHFFFAOYSA-N -1 1 315.211 2.292 20 5 DEBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1[nH]nc(C)c1C ZINC000160472838 402346894 /nfs/dbraw/zinc/34/68/94/402346894.db2.gz CSVUQWXWRSCTME-UHFFFAOYSA-N -1 1 324.362 2.298 20 5 DEBDMM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000167413822 402491120 /nfs/dbraw/zinc/49/11/20/402491120.db2.gz OHUVEIFAPNKTHZ-UHFFFAOYSA-N -1 1 304.755 2.469 20 5 DEBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC000248853474 402611274 /nfs/dbraw/zinc/61/12/74/402611274.db2.gz XSFICWMWIXKQDW-ADEWGFFLSA-N -1 1 305.334 2.346 20 5 DEBDMM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000278137032 402858866 /nfs/dbraw/zinc/85/88/66/402858866.db2.gz VLPBPDIRDLWPRV-PWSUYJOCSA-N -1 1 323.349 2.019 20 5 DEBDMM C[C@H](CCc1ccco1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277793937 403257610 /nfs/dbraw/zinc/25/76/10/403257610.db2.gz NRKJRROUDMVVQP-SECBINFHSA-N -1 1 305.290 2.040 20 5 DEBDMM O=[N+]([O-])c1c[n-]c(C(F)(F)F)cc1=NOC[C@H]1CCOC1 ZINC000277801131 403258566 /nfs/dbraw/zinc/25/85/66/403258566.db2.gz HFFRMLWNPFPHKK-ZETCQYMHSA-N -1 1 307.228 2.389 20 5 DEBDMM O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1[O-] ZINC000340332197 403580885 /nfs/dbraw/zinc/58/08/85/403580885.db2.gz MYJBVXXSWNEBEV-UHFFFAOYSA-N -1 1 306.249 2.457 20 5 DEBDMM COCc1nc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cs1 ZINC000289031759 403811814 /nfs/dbraw/zinc/81/18/14/403811814.db2.gz GZRUDZWJDOGCGM-UHFFFAOYSA-N -1 1 321.318 2.167 20 5 DEBDMM CCOC(=O)c1cnc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000354622407 403911545 /nfs/dbraw/zinc/91/15/45/403911545.db2.gz NOHIQBSOPYQBQK-UHFFFAOYSA-N -1 1 318.289 2.055 20 5 DEBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncccc1O ZINC000351781957 403915112 /nfs/dbraw/zinc/91/51/12/403915112.db2.gz WKLBPVNBZFHJIJ-UHFFFAOYSA-N -1 1 309.665 2.307 20 5 DEBDMM O=C(NCc1cnc2ccccc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000344613140 404263163 /nfs/dbraw/zinc/26/31/63/404263163.db2.gz FEOHXCKRXRZHGI-UHFFFAOYSA-N -1 1 324.296 2.174 20 5 DEBDMM C[C@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000451073580 406040127 /nfs/dbraw/zinc/04/01/27/406040127.db2.gz RUHYUUWZMWFQRS-VIFPVBQESA-N -1 1 322.333 2.100 20 5 DEBDMM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525700134 406496515 /nfs/dbraw/zinc/49/65/15/406496515.db2.gz BYTLTJFGEMUBPC-QWRGUYRKSA-N -1 1 313.379 2.094 20 5 DEBDMM O=C([N-]c1nc2ccccn2n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000342678103 424966031 /nfs/dbraw/zinc/96/60/31/424966031.db2.gz LYJJCHAJGAQYLQ-UHFFFAOYSA-N -1 1 323.268 2.636 20 5 DEBDMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000251879268 297485646 /nfs/dbraw/zinc/48/56/46/297485646.db2.gz UNZPQNCDTPIWAE-CKYFFXLPSA-N -1 1 305.334 2.489 20 5 DEBDMM Cc1cccc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444851851 534701159 /nfs/dbraw/zinc/70/11/59/534701159.db2.gz BZXRXXLDDWWRQG-UHFFFAOYSA-N -1 1 301.302 2.276 20 5 DEBDMM C[C@@H]1CC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000820690227 606710486 /nfs/dbraw/zinc/71/04/86/606710486.db2.gz HTHOJFBFXLMCKY-YWVKMMECSA-N -1 1 317.353 2.407 20 5 DEBDMM C[C@@H]1CC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000820690227 606710488 /nfs/dbraw/zinc/71/04/88/606710488.db2.gz HTHOJFBFXLMCKY-YWVKMMECSA-N -1 1 317.353 2.407 20 5 DEBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCS1 ZINC000921716867 634806676 /nfs/dbraw/zinc/80/66/76/634806676.db2.gz OXJYXUOAJPZEDZ-JGVFFNPUSA-N -1 1 322.433 2.219 20 5 DEBDMM CS[C@H](C)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000867000115 637759427 /nfs/dbraw/zinc/75/94/27/637759427.db2.gz DRXLKWDHMMXNOL-MRVPVSSYSA-N -1 1 322.383 2.072 20 5 DEBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3-n3ccnc3)no2)[n-]1 ZINC000761718512 640340517 /nfs/dbraw/zinc/34/05/17/640340517.db2.gz AHQVOTJUPSEXCR-UHFFFAOYSA-N -1 1 323.272 2.221 20 5 DEBDMM O=C(OCc1cn2ccccc2n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045304 641160084 /nfs/dbraw/zinc/16/00/84/641160084.db2.gz AXHCCPFRWCKADI-UHFFFAOYSA-N -1 1 313.269 2.305 20 5 DEBDMM O=C([O-])[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000903605941 643398823 /nfs/dbraw/zinc/39/88/23/643398823.db2.gz GFJLKKPJMVLKIU-UPJWGTAASA-N -1 1 305.334 2.065 20 5 DEBDMM CN(Cc1cn(Cc2cc([O-])ccc2[N+](=O)[O-])nn1)C(C)(C)C ZINC000905802343 644045239 /nfs/dbraw/zinc/04/52/39/644045239.db2.gz VWJNSJKIXBFLGK-UHFFFAOYSA-N -1 1 319.365 2.171 20 5 DEBDMM CC1CC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809823493 646288856 /nfs/dbraw/zinc/28/88/56/646288856.db2.gz CDZWHEFRKSAEEP-UHFFFAOYSA-N -1 1 322.745 2.464 20 5 DEBDMM CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821614453 648088573 /nfs/dbraw/zinc/08/85/73/648088573.db2.gz GXNYUXNJORVXIV-UHFFFAOYSA-N -1 1 310.317 2.411 20 5 DEBDMM COCC1(N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCC1 ZINC000872170746 688945259 /nfs/dbraw/zinc/94/52/59/688945259.db2.gz GWHAFFJBJBKTBB-UHFFFAOYSA-N -1 1 308.334 2.294 20 5 DEBDMM C[C@]1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000881459550 691102022 /nfs/dbraw/zinc/10/20/22/691102022.db2.gz CCLYBJPNYJAVAP-NSHDSACASA-N -1 1 319.239 2.110 20 5 DEBDMM CNc1nccc(C(=O)[N-]c2cnccc2SC)c1[N+](=O)[O-] ZINC001445250249 1183815930 /nfs/dbraw/zinc/81/59/30/1183815930.db2.gz AACZVXADZYIFQC-UHFFFAOYSA-N -1 1 319.346 2.401 20 5 DEBDMM O=C(OC[C@@H]1CC[C@H](C2CC2)O1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001119343922 795292044 /nfs/dbraw/zinc/29/20/44/795292044.db2.gz SAFDXWKGNMBVLM-UONOGXRCSA-N -1 1 307.302 2.415 20 5 DEBDMM O=C(NC[C@H]1C[C@H]1C1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184482890 796073213 /nfs/dbraw/zinc/07/32/13/796073213.db2.gz VYRNDNJXAILPIE-PWSUYJOCSA-N -1 1 305.334 2.252 20 5 DEBDMM CCOC(=O)[C@@H]1CCC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225664960 802999150 /nfs/dbraw/zinc/99/91/50/802999150.db2.gz VJBHRCNMEJPSMR-ZJUUUORDSA-N -1 1 310.306 2.196 20 5 DEBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(=O)OCc1ccccc1 ZINC001225665584 802999656 /nfs/dbraw/zinc/99/96/56/802999656.db2.gz BXUPFTKXRCLMJA-JTQLQIEISA-N -1 1 318.285 2.206 20 5 DEBDMM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C(=O)OCc1ccccc1 ZINC001225665584 802999659 /nfs/dbraw/zinc/99/96/59/802999659.db2.gz BXUPFTKXRCLMJA-JTQLQIEISA-N -1 1 318.285 2.206 20 5 DEBDMM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001611421803 971043071 /nfs/dbraw/zinc/04/30/71/971043071.db2.gz VKDDARHKGCZEIS-LLVKDONJSA-N -1 1 322.317 2.160 20 5 DEBDMM C[C@@](CC(=O)[O-])(NCc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001592327553 977740516 /nfs/dbraw/zinc/74/05/16/977740516.db2.gz CKQLZUHLDIUMND-INIZCTEOSA-N -1 1 315.329 2.470 20 5 DEBDMM C[C@@H]1CCCCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594376296 999419399 /nfs/dbraw/zinc/41/93/99/999419399.db2.gz JVRGVEXEMZBHAK-LLVKDONJSA-N -1 1 308.334 2.433 20 5 DEBDMM CC1=C(C)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001603826904 1070113977 /nfs/dbraw/zinc/11/39/77/1070113977.db2.gz MFLQUCRXJKLJCR-UHFFFAOYSA-N -1 1 300.322 2.321 20 5 DEBDMM CC1=C(C)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001603826904 1070113981 /nfs/dbraw/zinc/11/39/81/1070113981.db2.gz MFLQUCRXJKLJCR-UHFFFAOYSA-N -1 1 300.322 2.321 20 5 DEBDMM C[C@@](CC(=O)[O-])(NCc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001604088843 1070207122 /nfs/dbraw/zinc/20/71/22/1070207122.db2.gz ACXBDDPQRJTIEK-INIZCTEOSA-N -1 1 315.329 2.470 20 5 DEBDMM C[C@H](Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])c1nnc[nH]1 ZINC001604363453 1070350761 /nfs/dbraw/zinc/35/07/61/1070350761.db2.gz IJQYAJVYDXUZBH-YFKPBYRVSA-N -1 1 311.685 2.238 20 5 DEBDMM CCSC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001604479130 1070406431 /nfs/dbraw/zinc/40/64/31/1070406431.db2.gz SJKOLINFLJFOPG-UHFFFAOYSA-N -1 1 320.378 2.473 20 5 DEBDMM CCSC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001604479130 1070406435 /nfs/dbraw/zinc/40/64/35/1070406435.db2.gz SJKOLINFLJFOPG-UHFFFAOYSA-N -1 1 320.378 2.473 20 5 DEBDMM Cc1cc(N[C@@H]2CS[C@@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605724039 1070875295 /nfs/dbraw/zinc/87/52/95/1070875295.db2.gz QQZYLTFESZDJAN-WPRPVWTQSA-N -1 1 320.378 2.389 20 5 DEBDMM Cc1cc(N[C@@H]2CS[C@@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605724039 1070875322 /nfs/dbraw/zinc/87/53/22/1070875322.db2.gz QQZYLTFESZDJAN-WPRPVWTQSA-N -1 1 320.378 2.389 20 5 DEBDMM Cc1cc(NCc2ccnc(-c3nnn[n-]3)c2)c([N+](=O)[O-])s1 ZINC001605739891 1070884975 /nfs/dbraw/zinc/88/49/75/1070884975.db2.gz MUWYFBXKTSJYFU-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM Cc1cc(NCc2ccnc(-c3nn[n-]n3)c2)c([N+](=O)[O-])s1 ZINC001605739891 1070884999 /nfs/dbraw/zinc/88/49/99/1070884999.db2.gz MUWYFBXKTSJYFU-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM O=C(Oc1cccc([N+](=O)[O-])c1)c1sccc1-c1nn[n-]n1 ZINC001606990577 1071270484 /nfs/dbraw/zinc/27/04/84/1071270484.db2.gz KBFFNAYQHOJAEC-UHFFFAOYSA-N -1 1 317.286 2.056 20 5 DEBDMM O=[N+]([O-])c1cc(N[C@H]2CCC[C@H](F)C2)ccc1-c1nn[n-]n1 ZINC001607080501 1071290857 /nfs/dbraw/zinc/29/08/57/1071290857.db2.gz VEZODTRBBXYIIU-IUCAKERBSA-N -1 1 306.301 2.468 20 5 DEBDMM O=C(NCCc1c(F)cc([O-])cc1F)c1ccc([N+](=O)[O-])o1 ZINC001472041872 1060382477 /nfs/dbraw/zinc/38/24/77/1060382477.db2.gz SVYGBNJITUZUQC-UHFFFAOYSA-N -1 1 312.228 2.144 20 5 DEBDMM C[C@@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@@H]1C ZINC001472554796 1060534667 /nfs/dbraw/zinc/53/46/67/1060534667.db2.gz WUVKYAJTVCUHBM-GMTAPVOTSA-N -1 1 307.350 2.498 20 5 DEBDMM Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001637348688 1078514349 /nfs/dbraw/zinc/51/43/49/1078514349.db2.gz PWFWNELIOWNNSN-UHFFFAOYSA-N -1 1 321.720 2.466 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]OCc2ccccn2)c1F ZINC001637587030 1078524216 /nfs/dbraw/zinc/52/42/16/1078524216.db2.gz VYQQKJSNIAQFNL-UHFFFAOYSA-N -1 1 323.255 2.438 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H]1c1ccc(F)cc1 ZINC001557412598 1075064456 /nfs/dbraw/zinc/06/44/56/1075064456.db2.gz SXJXZXWNUHIWJK-GFCCVEGCSA-N -1 1 317.276 2.422 20 5 DEBDMM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001625893451 1079412448 /nfs/dbraw/zinc/41/24/48/1079412448.db2.gz JPAGZNMDZMJWOA-UHFFFAOYSA-N -1 1 309.228 2.413 20 5 DEBDMM O=C(NCc1ccc2cccnc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001587196536 1076414286 /nfs/dbraw/zinc/41/42/86/1076414286.db2.gz WDEAVHWBMULZHH-UHFFFAOYSA-N -1 1 324.296 2.174 20 5 DEBDMM CC(C)(Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(F)F ZINC001589324444 1076486563 /nfs/dbraw/zinc/48/65/63/1076486563.db2.gz GEZQFSQNUIXPCL-UHFFFAOYSA-N -1 1 304.282 2.292 20 5 DEBDMM CC(C)(Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(F)F ZINC001589324444 1076486568 /nfs/dbraw/zinc/48/65/68/1076486568.db2.gz GEZQFSQNUIXPCL-UHFFFAOYSA-N -1 1 304.282 2.292 20 5 DEBDMM C[C@@]1(F)CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001590142303 1076573191 /nfs/dbraw/zinc/57/31/91/1076573191.db2.gz XCAMLLITYMKKNE-CYBMUJFWSA-N -1 1 306.301 2.103 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H](C)O1 ZINC001590192756 1076581516 /nfs/dbraw/zinc/58/15/16/1076581516.db2.gz FQZUZAXFNBOJQO-CSMHCCOUSA-N -1 1 324.366 2.062 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H](C)O1 ZINC001590192756 1076581520 /nfs/dbraw/zinc/58/15/20/1076581520.db2.gz FQZUZAXFNBOJQO-CSMHCCOUSA-N -1 1 324.366 2.062 20 5 DEBDMM C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@@H]1C ZINC001590259749 1076603133 /nfs/dbraw/zinc/60/31/33/1076603133.db2.gz AELIRGCIJWPLMZ-HTQZYQBOSA-N -1 1 308.367 2.461 20 5 DEBDMM C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@@H]1C ZINC001590259749 1076603134 /nfs/dbraw/zinc/60/31/34/1076603134.db2.gz AELIRGCIJWPLMZ-HTQZYQBOSA-N -1 1 308.367 2.461 20 5 DEBDMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCC1(F)F ZINC001590311305 1076609150 /nfs/dbraw/zinc/60/91/50/1076609150.db2.gz CDWSIBINJMLNCO-QMMMGPOBSA-N -1 1 324.291 2.256 20 5 DEBDMM CO[C@@H]1CCCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591467222 1076745392 /nfs/dbraw/zinc/74/53/92/1076745392.db2.gz BLJJLSZPAREQNH-VXNVDRBHSA-N -1 1 324.366 2.206 20 5 DEBDMM CO[C@@H]1CCCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591467222 1076745394 /nfs/dbraw/zinc/74/53/94/1076745394.db2.gz BLJJLSZPAREQNH-VXNVDRBHSA-N -1 1 324.366 2.206 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC001593465336 1077004587 /nfs/dbraw/zinc/00/45/87/1077004587.db2.gz MFOHCVFYYUHITD-AYMMMOKOSA-N -1 1 318.362 2.308 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC001593465336 1077004592 /nfs/dbraw/zinc/00/45/92/1077004592.db2.gz MFOHCVFYYUHITD-AYMMMOKOSA-N -1 1 318.362 2.308 20 5 DEBDMM O=[N+]([O-])c1ccc(NC[C@H]2CCCCS2)cc1-c1nnn[n-]1 ZINC001593478523 1077010206 /nfs/dbraw/zinc/01/02/06/1077010206.db2.gz VBNZSTSVTGJWRI-SNVBAGLBSA-N -1 1 320.378 2.473 20 5 DEBDMM O=[N+]([O-])c1ccc(NC[C@H]2CCCCS2)cc1-c1nn[n-]n1 ZINC001593478523 1077010207 /nfs/dbraw/zinc/01/02/07/1077010207.db2.gz VBNZSTSVTGJWRI-SNVBAGLBSA-N -1 1 320.378 2.473 20 5 DEBDMM O=[N+]([O-])c1ccc(NCCc2ccsc2)cc1-c1nnn[n-]1 ZINC001593478924 1077010313 /nfs/dbraw/zinc/01/03/13/1077010313.db2.gz QKMMTVVLYMZIOA-UHFFFAOYSA-N -1 1 316.346 2.491 20 5 DEBDMM O=[N+]([O-])c1ccc(NCCc2ccsc2)cc1-c1nn[n-]n1 ZINC001593478924 1077010319 /nfs/dbraw/zinc/01/03/19/1077010319.db2.gz QKMMTVVLYMZIOA-UHFFFAOYSA-N -1 1 316.346 2.491 20 5 DEBDMM C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609175520 1077784775 /nfs/dbraw/zinc/78/47/75/1077784775.db2.gz SNXVHWTWSUGLDA-KXUCPTDWSA-N -1 1 302.338 2.256 20 5 DEBDMM C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609175520 1077784780 /nfs/dbraw/zinc/78/47/80/1077784780.db2.gz SNXVHWTWSUGLDA-KXUCPTDWSA-N -1 1 302.338 2.256 20 5 DEBDMM CC(C)c1ncc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])[nH]1 ZINC001652743548 1079895141 /nfs/dbraw/zinc/89/51/41/1079895141.db2.gz OWHMKERPIITEDN-UHFFFAOYSA-N -1 1 304.306 2.077 20 5 DEBDMM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1c[n-]nc1Cl ZINC001666472137 1081153897 /nfs/dbraw/zinc/15/38/97/1081153897.db2.gz OGQKRMBIFWZIME-UHFFFAOYSA-N -1 1 317.710 2.047 20 5 DEBDMM CN1CC(Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234745171 1084204513 /nfs/dbraw/zinc/20/45/13/1084204513.db2.gz RRCPCKDFVHYXOS-UHFFFAOYSA-N -1 1 313.309 2.050 20 5 DEBDMM COc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c(OC)c1 ZINC001212892933 1087758101 /nfs/dbraw/zinc/75/81/01/1087758101.db2.gz DFXWDEORAQRMIN-UHFFFAOYSA-N -1 1 317.261 2.052 20 5 DEBDMM O=C(Nc1ccc(F)c(-c2nnc[nH]2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001297158736 1139847810 /nfs/dbraw/zinc/84/78/10/1139847810.db2.gz JGDMTNYTFPATCN-UHFFFAOYSA-N -1 1 316.252 2.099 20 5 DEBDMM COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000090216904 185286882 /nfs/dbraw/zinc/28/68/82/185286882.db2.gz CPHYLAICSWUROC-UHFFFAOYSA-N -1 1 308.315 2.404 20 5 DEBDMM CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000358868345 535155467 /nfs/dbraw/zinc/15/54/67/535155467.db2.gz ATOHEWNPEDKHOV-UHFFFAOYSA-N -1 1 304.755 2.327 20 5 DEBDMM CCC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccn1 ZINC000618374083 363475119 /nfs/dbraw/zinc/47/51/19/363475119.db2.gz BXPCRPVEPCMHGW-LBPRGKRZSA-N -1 1 316.317 2.362 20 5 DEBDMM CCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000593735294 358133575 /nfs/dbraw/zinc/13/35/75/358133575.db2.gz LUQWHOIECKUZCD-CYBMUJFWSA-N -1 1 308.334 2.294 20 5 DEBDMM CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194031103 201167634 /nfs/dbraw/zinc/16/76/34/201167634.db2.gz ZWMHQDPSMBGCNV-WCQYABFASA-N -1 1 323.349 2.019 20 5 DEBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000021806246 182290960 /nfs/dbraw/zinc/29/09/60/182290960.db2.gz SGWXRKIOCBIPET-UHFFFAOYSA-N -1 1 308.315 2.410 20 5 DEBDMM CCc1onc(C)c1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000536289758 284939587 /nfs/dbraw/zinc/93/95/87/284939587.db2.gz OFSZCHGQTFPEFL-UHFFFAOYSA-N -1 1 319.273 2.435 20 5 DEBDMM CC(C)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157116818 197163307 /nfs/dbraw/zinc/16/33/07/197163307.db2.gz UQHDEJZDJSWHGU-UHFFFAOYSA-N -1 1 304.343 2.448 20 5 DEBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(C2CCCC2)CC1 ZINC000074311751 401735195 /nfs/dbraw/zinc/73/51/95/401735195.db2.gz AKMBQWMVDZPQND-UHFFFAOYSA-N -1 1 319.361 2.001 20 5 DEBDMM CSC(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000135359991 401937906 /nfs/dbraw/zinc/93/79/06/401937906.db2.gz HOHSMBBQAATCJQ-UHFFFAOYSA-N -1 1 322.383 2.154 20 5 DEBDMM CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000170810152 402527794 /nfs/dbraw/zinc/52/77/94/402527794.db2.gz UEYXMEFFULVMEF-UHFFFAOYSA-N -1 1 307.331 2.419 20 5 DEBDMM CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000343771848 403727215 /nfs/dbraw/zinc/72/72/15/403727215.db2.gz 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DEBDMM Cc1nccn1-c1ncccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000919986525 648198287 /nfs/dbraw/zinc/19/82/87/648198287.db2.gz PXNDLOPWKCXSOI-UHFFFAOYSA-N -1 1 312.289 2.064 20 5 DEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C=CCC2)cc1Cl ZINC000849427381 651669965 /nfs/dbraw/zinc/66/99/65/651669965.db2.gz FNWMYTLELJDQKI-SSDOTTSWSA-N -1 1 320.729 2.384 20 5 DEBDMM CSC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866814178 687694107 /nfs/dbraw/zinc/69/41/07/687694107.db2.gz MPKUHNDPKUOFGR-MRVPVSSYSA-N -1 1 322.383 2.072 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC12CCC2 ZINC000872651994 689056734 /nfs/dbraw/zinc/05/67/34/689056734.db2.gz MKAGPBIUTRRXPC-NSHDSACASA-N -1 1 316.766 2.469 20 5 DEBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)c([O-])c1 ZINC001443511876 1183010970 /nfs/dbraw/zinc/01/09/70/1183010970.db2.gz BLUCPQHHBVLFEP-UHFFFAOYSA-N -1 1 320.276 2.248 20 5 DEBDMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC001142674303 796761091 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ZLAMQSQBELTFGL-XLKFXECMSA-N -1 1 316.317 2.328 20 5 DEBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccc([O-])c1F ZINC001587373578 1076417688 /nfs/dbraw/zinc/41/76/88/1076417688.db2.gz NMTQQUAYLPLCJS-UHFFFAOYSA-N -1 1 319.292 2.281 20 5 DEBDMM CC(C)(C)C[C@@H]1C[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589132915 1076477053 /nfs/dbraw/zinc/47/70/53/1076477053.db2.gz RSKOLGJGAKKVNN-WCBMZHEXSA-N -1 1 317.353 2.407 20 5 DEBDMM CC(C)(C)C[C@@H]1C[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589132915 1076477054 /nfs/dbraw/zinc/47/70/54/1076477054.db2.gz RSKOLGJGAKKVNN-WCBMZHEXSA-N -1 1 317.353 2.407 20 5 DEBDMM CC[C@H](C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)OC ZINC001590399932 1076620124 /nfs/dbraw/zinc/62/01/24/1076620124.db2.gz KMPADMXAJOETMF-ZANVPECISA-N -1 1 320.353 2.248 20 5 DEBDMM CC[C@H](C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)OC ZINC001590399932 1076620126 /nfs/dbraw/zinc/62/01/26/1076620126.db2.gz KMPADMXAJOETMF-ZANVPECISA-N -1 1 320.353 2.248 20 5 DEBDMM CC[C@H](C)[C@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)OC ZINC001590399631 1076620575 /nfs/dbraw/zinc/62/05/75/1076620575.db2.gz JURFCIHMRRDCIY-ZANVPECISA-N -1 1 320.353 2.248 20 5 DEBDMM CC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001590505026 1076642390 /nfs/dbraw/zinc/64/23/90/1076642390.db2.gz ODWZFLGQEFIEQH-QWRGUYRKSA-N -1 1 318.337 2.144 20 5 DEBDMM CC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001590505026 1076642393 /nfs/dbraw/zinc/64/23/93/1076642393.db2.gz ODWZFLGQEFIEQH-QWRGUYRKSA-N -1 1 318.337 2.144 20 5 DEBDMM CCC[C@@H](CC)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590553908 1076650938 /nfs/dbraw/zinc/65/09/38/1076650938.db2.gz MJUOMYPJHIZQDP-MRVPVSSYSA-N -1 1 305.342 2.348 20 5 DEBDMM CCC[C@@H](CC)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590553908 1076650941 /nfs/dbraw/zinc/65/09/41/1076650941.db2.gz MJUOMYPJHIZQDP-MRVPVSSYSA-N -1 1 305.342 2.348 20 5 DEBDMM CSCC[C@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591699400 1076776003 /nfs/dbraw/zinc/77/60/03/1076776003.db2.gz IEMRBWOAGSGQLG-QMMMGPOBSA-N -1 1 308.367 2.328 20 5 DEBDMM O=Cc1ccc(Oc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC001593416323 1077004681 /nfs/dbraw/zinc/00/46/81/1077004681.db2.gz RRWAAFMRWXYLLA-UHFFFAOYSA-N -1 1 311.257 2.380 20 5 DEBDMM O=Cc1ccc(Oc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC001593416323 1077004687 /nfs/dbraw/zinc/00/46/87/1077004687.db2.gz RRWAAFMRWXYLLA-UHFFFAOYSA-N -1 1 311.257 2.380 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1C[C@@H]2CCCC[C@H]2C1 ZINC001593467397 1077005818 /nfs/dbraw/zinc/00/58/18/1077005818.db2.gz XOSZIPNSZCIWBW-QWRGUYRKSA-N -1 1 314.349 2.401 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1C[C@@H]2CCCC[C@H]2C1 ZINC001593467397 1077005823 /nfs/dbraw/zinc/00/58/23/1077005823.db2.gz XOSZIPNSZCIWBW-QWRGUYRKSA-N -1 1 314.349 2.401 20 5 DEBDMM O=[N+]([O-])c1cc(NCC[C@@H]2CCCOC2)ccc1-c1nn[n-]n1 ZINC001593474571 1077008295 /nfs/dbraw/zinc/00/82/95/1077008295.db2.gz TZYDLJSDZVCZQY-JTQLQIEISA-N -1 1 318.337 2.004 20 5 DEBDMM Cc1cc(N[C@H]2CCc3[nH]cnc3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600278050 1077174856 /nfs/dbraw/zinc/17/48/56/1077174856.db2.gz JKPRBWFVPJPHSU-VIFPVBQESA-N -1 1 316.317 2.294 20 5 DEBDMM Cc1nsc(NCc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609466176 1077864656 /nfs/dbraw/zinc/86/46/56/1077864656.db2.gz HKMPIAPSJFUIOW-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001609782390 1077923281 /nfs/dbraw/zinc/92/32/81/1077923281.db2.gz YKSUQUFSQNGJMJ-SSDOTTSWSA-N -1 1 323.330 2.306 20 5 DEBDMM Cc1[nH]ncc1CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001142913833 1083806947 /nfs/dbraw/zinc/80/69/47/1083806947.db2.gz OMOQXEZFDVWOCV-UHFFFAOYSA-N -1 1 324.724 2.258 20 5 DEBDMM CCOc1cccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1 ZINC001212893210 1087755621 /nfs/dbraw/zinc/75/56/21/1087755621.db2.gz RPOOUMLNTFRUNO-UHFFFAOYSA-N -1 1 301.262 2.434 20 5 DEBDMM CCc1[nH]nc(C(=O)[N-]c2cnccc2SC)c1[N+](=O)[O-] ZINC000618227997 363423014 /nfs/dbraw/zinc/42/30/14/363423014.db2.gz QZQLCVLZRGLKTQ-UHFFFAOYSA-N -1 1 307.335 2.250 20 5 DEBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c1 ZINC000288606023 220283043 /nfs/dbraw/zinc/28/30/43/220283043.db2.gz KEIUUWLOVDVTGU-JTQLQIEISA-N -1 1 324.280 2.214 20 5 DEBDMM CC(=O)Nc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000340632016 132111156 /nfs/dbraw/zinc/11/11/56/132111156.db2.gz COQNOVTVTJBOHE-UHFFFAOYSA-N -1 1 306.253 2.273 20 5 DEBDMM CCc1ccccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185715232 402370726 /nfs/dbraw/zinc/37/07/26/402370726.db2.gz HHEJCIGKJHKCGB-UHFFFAOYSA-N -1 1 301.302 2.188 20 5 DEBDMM CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nn[n-]n1 ZINC000176787595 402337472 /nfs/dbraw/zinc/33/74/72/402337472.db2.gz PSRABHQPNPHTOE-SNVBAGLBSA-N -1 1 324.728 2.033 20 5 DEBDMM CCC(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000189995668 402568957 /nfs/dbraw/zinc/56/89/57/402568957.db2.gz VBFXEOBZLVSBIT-UHFFFAOYSA-N -1 1 304.343 2.448 20 5 DEBDMM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263683387 402790308 /nfs/dbraw/zinc/79/03/08/402790308.db2.gz JTUVZWPBAZWZJS-YUMQZZPRSA-N -1 1 304.755 2.183 20 5 DEBDMM CC(C)(C)[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000270741879 403219623 /nfs/dbraw/zinc/21/96/23/403219623.db2.gz CKNJWVNEPWKMBW-BXKDBHETSA-N -1 1 323.349 2.019 20 5 DEBDMM CC(C)O[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(C)C ZINC000278045268 403282372 /nfs/dbraw/zinc/28/23/72/403282372.db2.gz LLXJITZXJRJWIH-NWDGAFQWSA-N -1 1 323.349 2.017 20 5 DEBDMM CC(C)O[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1(C)C ZINC000345425123 403329391 /nfs/dbraw/zinc/32/93/91/403329391.db2.gz HMDFDMSHCIFLCZ-NWDGAFQWSA-N -1 1 323.349 2.017 20 5 DEBDMM O=C(Nc1nnc(-c2ccco2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000344047530 403873736 /nfs/dbraw/zinc/87/37/36/403873736.db2.gz BLEKVPIDOXJWAZ-UHFFFAOYSA-N -1 1 305.275 2.287 20 5 DEBDMM CCc1ccc(Oc2nc3c(cnn3C)c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000356742646 404677407 /nfs/dbraw/zinc/67/74/07/404677407.db2.gz MPWFIDYXJVLYIR-UHFFFAOYSA-N -1 1 315.289 2.332 20 5 DEBDMM Cc1c([N-]S(=O)(=O)CCOCC2CC2)cccc1[N+](=O)[O-] ZINC000424066468 404992879 /nfs/dbraw/zinc/99/28/79/404992879.db2.gz NKGHPKMGCFZAFC-UHFFFAOYSA-N -1 1 314.363 2.072 20 5 DEBDMM CCc1n[nH]c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000438239526 405239011 /nfs/dbraw/zinc/23/90/11/405239011.db2.gz QKKUCILOJBWFRJ-UHFFFAOYSA-N -1 1 324.362 2.298 20 5 DEBDMM COC(=O)c1c[n-]c(SCc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000432665234 405796876 /nfs/dbraw/zinc/79/68/76/405796876.db2.gz HHKDOYBEHZHZOV-UHFFFAOYSA-N -1 1 323.330 2.405 20 5 DEBDMM C[C@]12CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000519588129 406216663 /nfs/dbraw/zinc/21/66/63/406216663.db2.gz KSXHAHWRLLICNE-SUJFGCQRSA-N -1 1 317.345 2.204 20 5 DEBDMM C[C@@H]1c2ccccc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193670710 279133467 /nfs/dbraw/zinc/13/34/67/279133467.db2.gz YUUBEAYDGRKKDP-SNVBAGLBSA-N -1 1 313.313 2.455 20 5 DEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(CF)CCC1 ZINC000574154123 326128125 /nfs/dbraw/zinc/12/81/25/326128125.db2.gz UQRBKGFJFHQFKP-UHFFFAOYSA-N -1 1 322.745 2.419 20 5 DEBDMM COc1cccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444860962 533711387 /nfs/dbraw/zinc/71/13/87/533711387.db2.gz SBOUSMMDOFYUAK-SECBINFHSA-N -1 1 317.301 2.195 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2ccc3c(c2)CCC3)c(-c2nnn[n-]2)c1 ZINC000823651695 599154457 /nfs/dbraw/zinc/15/44/57/599154457.db2.gz NTIDQCKPBBOPSR-UHFFFAOYSA-N -1 1 324.300 2.451 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2ccc3c(c2)CCC3)c(-c2nn[n-]n2)c1 ZINC000823651695 599154458 /nfs/dbraw/zinc/15/44/58/599154458.db2.gz NTIDQCKPBBOPSR-UHFFFAOYSA-N -1 1 324.300 2.451 20 5 DEBDMM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCCCN1C(=O)[O-] ZINC000825601764 604117448 /nfs/dbraw/zinc/11/74/48/604117448.db2.gz CAHUDYYMVPIGHS-PSASIEDQSA-N -1 1 311.294 2.001 20 5 DEBDMM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000827718321 604994316 /nfs/dbraw/zinc/99/43/16/604994316.db2.gz QRFSUGHDOMOBDQ-HZMBPMFUSA-N -1 1 301.302 2.466 20 5 DEBDMM C[C@@H]1CCC[C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820698451 606700851 /nfs/dbraw/zinc/70/08/51/606700851.db2.gz UTQONJHOYCPBCN-NXEZZACHSA-N -1 1 317.353 2.408 20 5 DEBDMM C[C@@H]1CCC[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820698451 606700853 /nfs/dbraw/zinc/70/08/53/606700853.db2.gz UTQONJHOYCPBCN-NXEZZACHSA-N -1 1 317.353 2.408 20 5 DEBDMM CC[C@@H](C)C[C@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820869769 606713283 /nfs/dbraw/zinc/71/32/83/606713283.db2.gz IUCWLHLVNAMBKH-BDAKNGLRSA-N -1 1 305.342 2.407 20 5 DEBDMM CC[C@@H](C)C[C@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820869769 606713284 /nfs/dbraw/zinc/71/32/84/606713284.db2.gz IUCWLHLVNAMBKH-BDAKNGLRSA-N -1 1 305.342 2.407 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc2c(c1)CCC2 ZINC000823625523 607162165 /nfs/dbraw/zinc/16/21/65/607162165.db2.gz XNUUSXVQLZNBQS-UHFFFAOYSA-N -1 1 323.316 2.402 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc2c(c1)CCC2 ZINC000823625523 607162167 /nfs/dbraw/zinc/16/21/67/607162167.db2.gz XNUUSXVQLZNBQS-UHFFFAOYSA-N -1 1 323.316 2.402 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(Cl)o1 ZINC000823624980 607163424 /nfs/dbraw/zinc/16/34/24/607163424.db2.gz NGDDYQDNGNSZJX-UHFFFAOYSA-N -1 1 321.684 2.028 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(Cl)o1 ZINC000823624980 607163425 /nfs/dbraw/zinc/16/34/25/607163425.db2.gz NGDDYQDNGNSZJX-UHFFFAOYSA-N -1 1 321.684 2.028 20 5 DEBDMM C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000824949698 607840327 /nfs/dbraw/zinc/84/03/27/607840327.db2.gz YMWLRKSXSCFFTG-JTQLQIEISA-N -1 1 302.338 2.401 20 5 DEBDMM C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000824949698 607840328 /nfs/dbraw/zinc/84/03/28/607840328.db2.gz YMWLRKSXSCFFTG-JTQLQIEISA-N -1 1 302.338 2.401 20 5 DEBDMM Cc1cc([N+](=O)[O-])ccc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826272629 607863475 /nfs/dbraw/zinc/86/34/75/607863475.db2.gz TXLNSFWKYOUUJS-UHFFFAOYSA-N -1 1 312.289 2.057 20 5 DEBDMM Cc1cc([N+](=O)[O-])ccc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826272629 607863476 /nfs/dbraw/zinc/86/34/76/607863476.db2.gz TXLNSFWKYOUUJS-UHFFFAOYSA-N -1 1 312.289 2.057 20 5 DEBDMM Cc1cnc(Oc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826319232 607867268 /nfs/dbraw/zinc/86/72/68/607867268.db2.gz UKUKPNWIJBSIDX-UHFFFAOYSA-N -1 1 316.252 2.410 20 5 DEBDMM Cc1cnc(Oc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826319232 607867269 /nfs/dbraw/zinc/86/72/69/607867269.db2.gz UKUKPNWIJBSIDX-UHFFFAOYSA-N -1 1 316.252 2.410 20 5 DEBDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc([N+](=O)[O-])c1 ZINC000824662865 607896898 /nfs/dbraw/zinc/89/68/98/607896898.db2.gz SRALCNMVFGGKRS-SECBINFHSA-N -1 1 311.305 2.343 20 5 DEBDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC000824662865 607896899 /nfs/dbraw/zinc/89/68/99/607896899.db2.gz SRALCNMVFGGKRS-SECBINFHSA-N -1 1 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320.378 2.025 20 5 DEBDMM Cc1cc(N2CCSC[C@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592008235 1076828708 /nfs/dbraw/zinc/82/87/08/1076828708.db2.gz AZHUPXACUMWHPX-SECBINFHSA-N -1 1 320.378 2.025 20 5 DEBDMM Cc1cc(N2CCC(C)(F)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592000838 1076828791 /nfs/dbraw/zinc/82/87/91/1076828791.db2.gz ZVNSCVBFGUELKE-UHFFFAOYSA-N -1 1 320.328 2.412 20 5 DEBDMM Cc1cc(N2CCC(C)(F)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592000838 1076828798 /nfs/dbraw/zinc/82/87/98/1076828798.db2.gz ZVNSCVBFGUELKE-UHFFFAOYSA-N -1 1 320.328 2.412 20 5 DEBDMM Cc1cc(N[C@H]2CSC[C@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592038981 1076836069 /nfs/dbraw/zinc/83/60/69/1076836069.db2.gz GWYVNRZGGSDWEM-KCJUWKMLSA-N -1 1 320.378 2.247 20 5 DEBDMM Cc1cc(N[C@H]2CSC[C@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592038981 1076836073 /nfs/dbraw/zinc/83/60/73/1076836073.db2.gz GWYVNRZGGSDWEM-KCJUWKMLSA-N -1 1 320.378 2.247 20 5 DEBDMM Cc1cnc(OCc2ccc(-c3nn[n-]n3)s2)c([N+](=O)[O-])c1 ZINC001592294144 1076891414 /nfs/dbraw/zinc/89/14/14/1076891414.db2.gz YYHWXNDIAYDZGU-UHFFFAOYSA-N -1 1 318.318 2.119 20 5 DEBDMM Cc1cncc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001592300040 1076892891 /nfs/dbraw/zinc/89/28/91/1076892891.db2.gz BOWWACLIFYFKDZ-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1nc(Sc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[nH]c1C ZINC001592399861 1076909340 /nfs/dbraw/zinc/90/93/40/1076909340.db2.gz XNDDKUWMQPYPHV-UHFFFAOYSA-N -1 1 317.334 2.266 20 5 DEBDMM Cc1nc(Sc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[nH]c1C ZINC001592399861 1076909344 /nfs/dbraw/zinc/90/93/44/1076909344.db2.gz XNDDKUWMQPYPHV-UHFFFAOYSA-N -1 1 317.334 2.266 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593465404 1077006055 /nfs/dbraw/zinc/00/60/55/1077006055.db2.gz OYEFKVCCUCOUQB-YWVKMMECSA-N -1 1 315.337 2.018 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593465404 1077006060 /nfs/dbraw/zinc/00/60/60/1077006060.db2.gz OYEFKVCCUCOUQB-YWVKMMECSA-N -1 1 315.337 2.018 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2CCCC[C@H]2F)cccc1-c1nnn[n-]1 ZINC001593469498 1077007070 /nfs/dbraw/zinc/00/70/70/1077007070.db2.gz SWUISARNQGWFIP-NXEZZACHSA-N -1 1 306.301 2.468 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2CCCC[C@H]2F)cccc1-c1nn[n-]n1 ZINC001593469498 1077007074 /nfs/dbraw/zinc/00/70/74/1077007074.db2.gz SWUISARNQGWFIP-NXEZZACHSA-N -1 1 306.301 2.468 20 5 DEBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](C3CC3)C2)cc1-c1nnn[n-]1 ZINC001593475624 1077008390 /nfs/dbraw/zinc/00/83/90/1077008390.db2.gz BTHFZIBIVMVNGI-SNVBAGLBSA-N -1 1 300.322 2.011 20 5 DEBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](C3CC3)C2)cc1-c1nn[n-]n1 ZINC001593475624 1077008394 /nfs/dbraw/zinc/00/83/94/1077008394.db2.gz BTHFZIBIVMVNGI-SNVBAGLBSA-N -1 1 300.322 2.011 20 5 DEBDMM Cc1cc(N[C@@H]2CCc3[nH]cnc3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600278048 1077174876 /nfs/dbraw/zinc/17/48/76/1077174876.db2.gz JKPRBWFVPJPHSU-SECBINFHSA-N -1 1 316.317 2.294 20 5 DEBDMM CC(C)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609091363 1077758012 /nfs/dbraw/zinc/75/80/12/1077758012.db2.gz JUPUDWZABFYNAE-GFCCVEGCSA-N -1 1 302.338 2.400 20 5 DEBDMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1 ZINC001609168428 1077782132 /nfs/dbraw/zinc/78/21/32/1077782132.db2.gz BAXLGKIWXOJCIB-SECBINFHSA-N -1 1 320.378 2.107 20 5 DEBDMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1 ZINC001609168428 1077782136 /nfs/dbraw/zinc/78/21/36/1077782136.db2.gz BAXLGKIWXOJCIB-SECBINFHSA-N -1 1 320.378 2.107 20 5 DEBDMM CCc1cccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC001192002145 1091964145 /nfs/dbraw/zinc/96/41/45/1091964145.db2.gz BMENIMXLOMQROH-UHFFFAOYSA-N -1 1 321.358 2.031 20 5 DEBDMM COc1ccccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000024100924 354063399 /nfs/dbraw/zinc/06/33/99/354063399.db2.gz JPUYQHOENALGAJ-UHFFFAOYSA-N -1 1 324.314 2.110 20 5 DEBDMM CC(C)C(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C ZINC000618594485 363541727 /nfs/dbraw/zinc/54/17/27/363541727.db2.gz DVQKCSMUOSONIO-UHFFFAOYSA-N -1 1 315.395 2.196 20 5 DEBDMM O=C(NCc1ccccc1[N+](=O)[O-])c1ccc2[nH][n-]c(=O)c2c1 ZINC000590423295 357544126 /nfs/dbraw/zinc/54/41/26/357544126.db2.gz KANYBTZJAKNNKV-UHFFFAOYSA-N -1 1 312.285 2.107 20 5 DEBDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000592350323 357864366 /nfs/dbraw/zinc/86/43/66/357864366.db2.gz KZNHUAXMNHUIHH-ZDUSSCGKSA-N -1 1 316.379 2.316 20 5 DEBDMM C[C@H](C(=O)OC(C)(C)C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000281022534 216027774 /nfs/dbraw/zinc/02/77/74/216027774.db2.gz ZKWXVDVNDUWMDY-ZETCQYMHSA-N -1 1 308.294 2.418 20 5 DEBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Cc1cccs1 ZINC000193626726 201089758 /nfs/dbraw/zinc/08/97/58/201089758.db2.gz VAZIODRJSWGWNM-VIFPVBQESA-N -1 1 321.358 2.366 20 5 DEBDMM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000281623837 216429554 /nfs/dbraw/zinc/42/95/54/216429554.db2.gz QAMRXAWVPIOEET-OAHLLOKOSA-N -1 1 324.333 2.247 20 5 DEBDMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000057102988 184027144 /nfs/dbraw/zinc/02/71/44/184027144.db2.gz JRVISDNYEGQWOW-RKDXNWHRSA-N -1 1 304.343 2.447 20 5 DEBDMM CN(CCC(=O)[O-])Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000158810369 197302661 /nfs/dbraw/zinc/30/26/61/197302661.db2.gz ZQFNHIBZKYRXDQ-UHFFFAOYSA-N -1 1 317.139 2.264 20 5 DEBDMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000104762733 296452859 /nfs/dbraw/zinc/45/28/59/296452859.db2.gz FLKJIJJQVVBIFZ-SCZZXKLOSA-N -1 1 302.327 2.201 20 5 DEBDMM CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cn1 ZINC000356257220 133075146 /nfs/dbraw/zinc/07/51/46/133075146.db2.gz KEZJOYCHUQATCH-UHFFFAOYSA-N -1 1 301.262 2.434 20 5 DEBDMM O=C(NCCCc1cccs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000564773447 292109437 /nfs/dbraw/zinc/10/94/37/292109437.db2.gz MIWSCDAJTFGCCK-UHFFFAOYSA-N -1 1 307.331 2.120 20 5 DEBDMM O=C(NCc1cccc2cccnc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187038941 144993438 /nfs/dbraw/zinc/99/34/38/144993438.db2.gz BOZACNDERGEUQO-UHFFFAOYSA-N -1 1 324.296 2.174 20 5 DEBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(F)(F)F ZINC000348128657 146221232 /nfs/dbraw/zinc/22/12/32/146221232.db2.gz UANFFSADHDJNTO-MRVPVSSYSA-N -1 1 307.228 2.012 20 5 DEBDMM O=C(NCc1ccc2ncccc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194938636 402823452 /nfs/dbraw/zinc/82/34/52/402823452.db2.gz NJNSVSPHDBAPCL-UHFFFAOYSA-N -1 1 324.296 2.174 20 5 DEBDMM O=C(NC[C@@H]1CCCCC1(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000295472695 403944634 /nfs/dbraw/zinc/94/46/34/403944634.db2.gz QXCSKCQMROJKHA-QMMMGPOBSA-N -1 1 315.276 2.251 20 5 DEBDMM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000356700386 404661197 /nfs/dbraw/zinc/66/11/97/404661197.db2.gz LMKXWZVXMXVJOU-ZETCQYMHSA-N -1 1 312.269 2.072 20 5 DEBDMM CC[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C)OC ZINC000421141349 405450706 /nfs/dbraw/zinc/45/07/06/405450706.db2.gz PCWWGIUKTHTMTD-JTQLQIEISA-N -1 1 302.352 2.070 20 5 DEBDMM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525086554 406468249 /nfs/dbraw/zinc/46/82/49/406468249.db2.gz VISZHGSCXLADBT-NSHDSACASA-N -1 1 315.395 2.483 20 5 DEBDMM CCc1nnc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])s1 ZINC000193799512 225166949 /nfs/dbraw/zinc/16/69/49/225166949.db2.gz HEAULFZHPNTTSU-UHFFFAOYSA-N -1 1 308.319 2.270 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCSC[C@@H]1C1CCC1 ZINC000416328502 304590716 /nfs/dbraw/zinc/59/07/16/304590716.db2.gz STBNDINZLZYPIS-GFCCVEGCSA-N -1 1 323.374 2.053 20 5 DEBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ncccc1[O-] ZINC000338333281 522946966 /nfs/dbraw/zinc/94/69/66/522946966.db2.gz VIIKKXUBIHLWTC-UHFFFAOYSA-N -1 1 301.302 2.010 20 5 DEBDMM CCCCn1ncc([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])c1C ZINC000357449472 535180662 /nfs/dbraw/zinc/18/06/62/535180662.db2.gz GCQJDHVXBCGPSC-UHFFFAOYSA-N -1 1 318.337 2.137 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000823651769 599275625 /nfs/dbraw/zinc/27/56/25/599275625.db2.gz PIVIGUNUIMTXCJ-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000823651769 599275626 /nfs/dbraw/zinc/27/56/26/599275626.db2.gz PIVIGUNUIMTXCJ-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM C[C@@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC000824874684 607448073 /nfs/dbraw/zinc/44/80/73/607448073.db2.gz FVQLWLLBMALJDZ-AOOOYVTPSA-N -1 1 302.338 2.257 20 5 DEBDMM C[C@@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC000824874684 607448075 /nfs/dbraw/zinc/44/80/75/607448075.db2.gz FVQLWLLBMALJDZ-AOOOYVTPSA-N -1 1 302.338 2.257 20 5 DEBDMM C[C@](CNC(=O)[O-])(NCc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000824952337 604340954 /nfs/dbraw/zinc/34/09/54/604340954.db2.gz NSCPMWCEFBFHKL-CQSZACIVSA-N -1 1 311.313 2.260 20 5 DEBDMM C[N@@H+](CCC[N-]C(=O)C(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000180489534 625206240 /nfs/dbraw/zinc/20/62/40/625206240.db2.gz YWAXXSIMNPKSTQ-UHFFFAOYSA-N -1 1 319.283 2.095 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20 5 DEBDMM O=C([N-]N1CCCCC1=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171213222 402568221 /nfs/dbraw/zinc/56/82/21/402568221.db2.gz TYZQBTFVSHRCEV-UHFFFAOYSA-N -1 1 319.342 2.467 20 5 DEBDMM CC(C)C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000272227341 402912047 /nfs/dbraw/zinc/91/20/47/402912047.db2.gz LIPYEOFMSYUVPX-ZYHUDNBSSA-N -1 1 323.349 2.019 20 5 DEBDMM O=C(Nc1ccccc1O[C@H]1CCOC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000268334923 403074641 /nfs/dbraw/zinc/07/46/41/403074641.db2.gz DLCFILFYFQWLRY-JTQLQIEISA-N -1 1 317.301 2.343 20 5 DEBDMM Cc1ccc([N+](=O)[O-])c(Oc2ccc([N-]S(C)(=O)=O)nc2)c1 ZINC000340846648 403673417 /nfs/dbraw/zinc/67/34/17/403673417.db2.gz FKSGOAYVSLAVRR-UHFFFAOYSA-N -1 1 323.330 2.462 20 5 DEBDMM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000295670217 404005938 /nfs/dbraw/zinc/00/59/38/404005938.db2.gz BEKNCYHCMIMRMV-ZETCQYMHSA-N -1 1 308.743 2.025 20 5 DEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[C@H](F)C1 ZINC000344944461 404462305 /nfs/dbraw/zinc/46/23/05/404462305.db2.gz OEDKBDHQGXIUJT-IUCAKERBSA-N -1 1 322.745 2.417 20 5 DEBDMM CC/C=C\C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451773892 405032798 /nfs/dbraw/zinc/03/27/98/405032798.db2.gz MRJXICNSVRZXPP-ARJAWSKDSA-N -1 1 304.755 2.493 20 5 DEBDMM Cc1ccc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)c([N+](=O)[O-])c1 ZINC000451073782 406039885 /nfs/dbraw/zinc/03/98/85/406039885.db2.gz SUYGXINGVRLWNT-MRVPVSSYSA-N -1 1 308.306 2.225 20 5 DEBDMM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525184179 406472299 /nfs/dbraw/zinc/47/22/99/406472299.db2.gz XEAMLZLCJCOQRV-UHFFFAOYSA-N -1 1 315.395 2.483 20 5 DEBDMM COC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1F ZINC000491042708 406522014 /nfs/dbraw/zinc/52/20/14/406522014.db2.gz UQAQXAVEBWPAIH-UHFFFAOYSA-N -1 1 322.252 2.493 20 5 DEBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000132013792 196219270 /nfs/dbraw/zinc/21/92/70/196219270.db2.gz TWYJTVGYPXSNFY-BDAKNGLRSA-N -1 1 302.327 2.201 20 5 DEBDMM CCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000137005894 196560451 /nfs/dbraw/zinc/56/04/51/196560451.db2.gz KGQKGNCFRBNUHZ-UHFFFAOYSA-N -1 1 315.329 2.400 20 5 DEBDMM CC(C)(C)n1cnc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)n1 ZINC000291257722 222263376 /nfs/dbraw/zinc/26/33/76/222263376.db2.gz WQWUMVFNPZGABZ-UHFFFAOYSA-N -1 1 307.285 2.333 20 5 DEBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000294946150 529109866 /nfs/dbraw/zinc/10/98/66/529109866.db2.gz XPUYMSHUCLSQCF-MNOVXSKESA-N -1 1 305.334 2.346 20 5 DEBDMM O=[N+]([O-])c1cnc(Sc2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000823651779 599154214 /nfs/dbraw/zinc/15/42/14/599154214.db2.gz QFQDSPNNBGECEK-UHFFFAOYSA-N -1 1 318.293 2.460 20 5 DEBDMM Cc1nn(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000833016839 602200334 /nfs/dbraw/zinc/20/03/34/602200334.db2.gz KBUFYLJMXNTQMJ-HNNXBMFYSA-N -1 1 318.333 2.007 20 5 DEBDMM O=C([O-])CCCCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000833224854 604368717 /nfs/dbraw/zinc/36/87/17/604368717.db2.gz CCHCKKHGLKZLCP-UHFFFAOYSA-N -1 1 310.306 2.065 20 5 DEBDMM C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000833812364 605597217 /nfs/dbraw/zinc/59/72/17/605597217.db2.gz IYHVNRSNZGCHBT-MNOVXSKESA-N -1 1 323.349 2.169 20 5 DEBDMM O=[N+]([O-])c1ncccc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823651757 606440926 /nfs/dbraw/zinc/44/09/26/606440926.db2.gz OYWLIPHUFBWNQX-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1ncccc1Oc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823651757 606440927 /nfs/dbraw/zinc/44/09/27/606440927.db2.gz OYWLIPHUFBWNQX-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM CC[C@]1(C)CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820950329 606713409 /nfs/dbraw/zinc/71/34/09/606713409.db2.gz MJQRXWMXUQZHJD-CQSZACIVSA-N -1 1 317.353 2.186 20 5 DEBDMM CC[C@]1(C)CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820950329 606713411 /nfs/dbraw/zinc/71/34/11/606713411.db2.gz MJQRXWMXUQZHJD-CQSZACIVSA-N -1 1 317.353 2.186 20 5 DEBDMM C[C@@H]1CCCC[C@@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820702895 607160657 /nfs/dbraw/zinc/16/06/57/607160657.db2.gz BBULNPAAVUQERH-SCZZXKLOSA-N -1 1 303.326 2.161 20 5 DEBDMM C[C@@H]1CCCC[C@@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820702895 607160658 /nfs/dbraw/zinc/16/06/58/607160658.db2.gz BBULNPAAVUQERH-SCZZXKLOSA-N -1 1 303.326 2.161 20 5 DEBDMM CO[C@H]1Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2C1 ZINC000752069791 639152553 /nfs/dbraw/zinc/15/25/53/639152553.db2.gz APRSGZYKWMUVBF-LBPRGKRZSA-N -1 1 301.302 2.289 20 5 DEBDMM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000841549100 650514516 /nfs/dbraw/zinc/51/45/16/650514516.db2.gz RZIBTDAUAQLAID-WCBMZHEXSA-N -1 1 302.327 2.057 20 5 DEBDMM COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000762252944 640409141 /nfs/dbraw/zinc/40/91/41/640409141.db2.gz GOOPMEQXMAYZNP-UHFFFAOYSA-N -1 1 307.237 2.101 20 5 DEBDMM CCCCc1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)no1 ZINC000780076720 642582862 /nfs/dbraw/zinc/58/28/62/642582862.db2.gz WEZHITFLIVDNND-UHFFFAOYSA-N -1 1 321.289 2.383 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000907965934 644706915 /nfs/dbraw/zinc/70/69/15/644706915.db2.gz CJTFRMAUYNVQOF-IQJOONFLSA-N -1 1 314.338 2.201 20 5 DEBDMM COC(=O)c1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000796346717 644723278 /nfs/dbraw/zinc/72/32/78/644723278.db2.gz QJTDRKJFDDVKFQ-UHFFFAOYSA-N -1 1 304.258 2.067 20 5 DEBDMM CC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809823417 646288569 /nfs/dbraw/zinc/28/85/69/646288569.db2.gz BDTNVYWVKDLHJS-UHFFFAOYSA-N -1 1 322.745 2.466 20 5 DEBDMM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815042126 646959315 /nfs/dbraw/zinc/95/93/15/646959315.db2.gz MVLFBDFERVANDU-SVGQVSJJSA-N -1 1 308.718 2.074 20 5 DEBDMM CC(C)(C)[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000824079640 648523222 /nfs/dbraw/zinc/52/32/22/648523222.db2.gz QRCYHNBMFJVGMV-VIFPVBQESA-N -1 1 317.353 2.042 20 5 DEBDMM CC(C)(C)[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000824079640 648523227 /nfs/dbraw/zinc/52/32/27/648523227.db2.gz QRCYHNBMFJVGMV-VIFPVBQESA-N -1 1 317.353 2.042 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CC1 ZINC000832654150 649732789 /nfs/dbraw/zinc/73/27/89/649732789.db2.gz JFMRXJABOKJRAB-UWVGGRQHSA-N -1 1 314.338 2.058 20 5 DEBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCOc2cc(F)c(F)cc21 ZINC001300210194 1151812963 /nfs/dbraw/zinc/81/29/63/1151812963.db2.gz CLWYBXYDHCILOW-UHFFFAOYSA-N -1 1 309.228 2.240 20 5 DEBDMM O=C(N[C@@H]1CCSC2(CCC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001179795505 795178949 /nfs/dbraw/zinc/17/89/49/795178949.db2.gz GEWJDSDXUBYHLY-SNVBAGLBSA-N -1 1 323.374 2.244 20 5 DEBDMM CC(C)[N@H+]1CC[C@@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231223882 801609651 /nfs/dbraw/zinc/60/96/51/801609651.db2.gz KVVIQOWJFJRTLO-SECBINFHSA-N -1 1 311.294 2.070 20 5 DEBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)C(=O)OCCC(C)C)n1 ZINC001231263830 801621072 /nfs/dbraw/zinc/62/10/72/801621072.db2.gz MQTJJABMYSXNSW-JTQLQIEISA-N -1 1 312.322 2.360 20 5 DEBDMM COC(=O)C[C@H]1CCC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225667951 802999798 /nfs/dbraw/zinc/99/97/98/802999798.db2.gz XDRJOIBMTVUOBB-UWVGGRQHSA-N -1 1 310.306 2.196 20 5 DEBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CC2(COC2)C1 ZINC001228859612 803422873 /nfs/dbraw/zinc/42/28/73/803422873.db2.gz LXJNLAFNHHDSRL-UHFFFAOYSA-N -1 1 320.223 2.272 20 5 DEBDMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001589308153 953763280 /nfs/dbraw/zinc/76/32/80/953763280.db2.gz ITGXRUJTNWMBDC-NXEZZACHSA-N -1 1 318.333 2.156 20 5 DEBDMM COc1cc(CNc2cncc(C(=O)[O-])c2)cc([N+](=O)[O-])c1O ZINC001599419250 997566069 /nfs/dbraw/zinc/56/60/69/997566069.db2.gz ZYFATEAWJURJPJ-UHFFFAOYSA-N -1 1 319.273 2.014 20 5 DEBDMM O=C([O-])c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001602621026 1069706307 /nfs/dbraw/zinc/70/63/07/1069706307.db2.gz BKLNQZDSZBIKPL-UHFFFAOYSA-N -1 1 310.649 2.494 20 5 DEBDMM CC(C)(C)OCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603102787 1069867369 /nfs/dbraw/zinc/86/73/69/1069867369.db2.gz XKTLXEKRTLCFDI-UHFFFAOYSA-N -1 1 306.326 2.002 20 5 DEBDMM CC(C)(C)OCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603102787 1069867383 /nfs/dbraw/zinc/86/73/83/1069867383.db2.gz XKTLXEKRTLCFDI-UHFFFAOYSA-N -1 1 306.326 2.002 20 5 DEBDMM CCC1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001604107579 1070225460 /nfs/dbraw/zinc/22/54/60/1070225460.db2.gz YTVQYXWXLNCPKU-UHFFFAOYSA-N -1 1 302.338 2.401 20 5 DEBDMM CCC1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001604107579 1070225468 /nfs/dbraw/zinc/22/54/68/1070225468.db2.gz YTVQYXWXLNCPKU-UHFFFAOYSA-N -1 1 302.338 2.401 20 5 DEBDMM CCC[C@@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)OCC ZINC001604144661 1070243974 /nfs/dbraw/zinc/24/39/74/1070243974.db2.gz RXXXLLGMPAJEAR-NSHDSACASA-N -1 1 320.353 2.392 20 5 DEBDMM COCCC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001605080792 1070605829 /nfs/dbraw/zinc/60/58/29/1070605829.db2.gz OUZSFTDKWQPCFA-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM COCCC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001605080792 1070605838 /nfs/dbraw/zinc/60/58/38/1070605838.db2.gz OUZSFTDKWQPCFA-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM Cc1cc(N2CCC[C@H](CF)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605695050 1070849180 /nfs/dbraw/zinc/84/91/80/1070849180.db2.gz LNZMCCCWHDBGKF-SNVBAGLBSA-N -1 1 320.328 2.269 20 5 DEBDMM Cc1cc(N2CCC[C@H](CF)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605695050 1070849203 /nfs/dbraw/zinc/84/92/03/1070849203.db2.gz LNZMCCCWHDBGKF-SNVBAGLBSA-N -1 1 320.328 2.269 20 5 DEBDMM Cc1cc(N2CCS[C@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605698353 1070852544 /nfs/dbraw/zinc/85/25/44/1070852544.db2.gz ZDWLBQFHDNJXBW-SECBINFHSA-N -1 1 320.378 2.025 20 5 DEBDMM Cc1cc(N2CCS[C@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605698353 1070852574 /nfs/dbraw/zinc/85/25/74/1070852574.db2.gz ZDWLBQFHDNJXBW-SECBINFHSA-N -1 1 320.378 2.025 20 5 DEBDMM Cc1cc(N2CC[C@H](C3CC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605695337 1070853113 /nfs/dbraw/zinc/85/31/13/1070853113.db2.gz WXQODTGQCLKRQL-NSHDSACASA-N -1 1 314.349 2.320 20 5 DEBDMM Cc1cc(N2CC[C@H](C3CC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605695337 1070853137 /nfs/dbraw/zinc/85/31/37/1070853137.db2.gz WXQODTGQCLKRQL-NSHDSACASA-N -1 1 314.349 2.320 20 5 DEBDMM Cc1cc(S(=O)(=O)[N-]C/C=C\Cl)c(F)cc1[N+](=O)[O-] ZINC001309928217 1147510195 /nfs/dbraw/zinc/51/01/95/1147510195.db2.gz MVOOKXTUKONXBZ-IHWYPQMZSA-N -1 1 308.718 2.073 20 5 DEBDMM O=[N+]([O-])c1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)ccc1-c1nn[n-]n1 ZINC001607078917 1071288680 /nfs/dbraw/zinc/28/86/80/1071288680.db2.gz BVGOOSLSAVAGGK-LPEHRKFASA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SCC1CCCC1 ZINC001607077671 1071288809 /nfs/dbraw/zinc/28/88/09/1071288809.db2.gz CLXIAAWHRBVUSD-UHFFFAOYSA-N -1 1 306.351 2.452 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1SCC1CCCC1 ZINC001607077671 1071288815 /nfs/dbraw/zinc/28/88/15/1071288815.db2.gz CLXIAAWHRBVUSD-UHFFFAOYSA-N -1 1 306.351 2.452 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC001628816193 1078304138 /nfs/dbraw/zinc/30/41/38/1078304138.db2.gz FOYWGODASQHVNP-UHFFFAOYSA-N -1 1 312.232 2.171 20 5 DEBDMM COc1cnc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC001643278957 1078794654 /nfs/dbraw/zinc/79/46/54/1078794654.db2.gz LETRBPKIYLMBGC-LBPRGKRZSA-N -1 1 316.317 2.441 20 5 DEBDMM CC1(C)CC[C@H](CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)OC1 ZINC001647997487 1074985757 /nfs/dbraw/zinc/98/57/57/1074985757.db2.gz BZNKYMSOGIIXIM-LLVKDONJSA-N -1 1 323.349 2.021 20 5 DEBDMM CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc([O-])c(Cl)c2)n1 ZINC001558209263 1075085729 /nfs/dbraw/zinc/08/57/29/1075085729.db2.gz OUNITSOCJDKRHV-UHFFFAOYSA-N -1 1 324.724 2.100 20 5 DEBDMM O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cncc([O-])c1 ZINC001559004682 1075111011 /nfs/dbraw/zinc/11/10/11/1075111011.db2.gz YGRGXNXYODSILR-UHFFFAOYSA-N -1 1 310.269 2.496 20 5 DEBDMM CC[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC001561660159 1075155181 /nfs/dbraw/zinc/15/51/81/1075155181.db2.gz FNZZYJLHQIWIPV-LBPRGKRZSA-N -1 1 321.358 2.419 20 5 DEBDMM CC[C@](C)(CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)OC ZINC001590382855 1076618360 /nfs/dbraw/zinc/61/83/60/1076618360.db2.gz WBIBXPBAFMCHJE-CQSZACIVSA-N -1 1 320.353 2.310 20 5 DEBDMM CC[C@](C)(CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)OC ZINC001590382855 1076618363 /nfs/dbraw/zinc/61/83/63/1076618363.db2.gz WBIBXPBAFMCHJE-CQSZACIVSA-N -1 1 320.353 2.310 20 5 DEBDMM CC[C@@](C)(CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])OC ZINC001590383026 1076618672 /nfs/dbraw/zinc/61/86/72/1076618672.db2.gz XZAJLNWAMBCKOR-NSHDSACASA-N -1 1 312.355 2.063 20 5 DEBDMM CC[C@@](C)(CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])OC ZINC001590383026 1076618674 /nfs/dbraw/zinc/61/86/74/1076618674.db2.gz XZAJLNWAMBCKOR-NSHDSACASA-N -1 1 312.355 2.063 20 5 DEBDMM CCC[C@](C)(O)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590543576 1076650451 /nfs/dbraw/zinc/65/04/51/1076650451.db2.gz OMJOMHJOCRAVNJ-AWEZNQCLSA-N -1 1 320.353 2.046 20 5 DEBDMM CCC[C@](C)(O)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590543576 1076650455 /nfs/dbraw/zinc/65/04/55/1076650455.db2.gz OMJOMHJOCRAVNJ-AWEZNQCLSA-N -1 1 320.353 2.046 20 5 DEBDMM CCOCC(C)(C)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590799594 1076678655 /nfs/dbraw/zinc/67/86/55/1076678655.db2.gz GGYPWCVOOXNFJN-UHFFFAOYSA-N -1 1 320.353 2.250 20 5 DEBDMM CCSC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001590851189 1076684110 /nfs/dbraw/zinc/68/41/10/1076684110.db2.gz UEVQNRXXGLMKJQ-UHFFFAOYSA-N -1 1 320.378 2.473 20 5 DEBDMM CCSC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001590851189 1076684112 /nfs/dbraw/zinc/68/41/12/1076684112.db2.gz UEVQNRXXGLMKJQ-UHFFFAOYSA-N -1 1 320.378 2.473 20 5 DEBDMM CS[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591702805 1076776877 /nfs/dbraw/zinc/77/68/77/1076776877.db2.gz YWHSPPCFVQREGG-KYZUINATSA-N -1 1 306.351 2.081 20 5 DEBDMM CS[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591702805 1076776878 /nfs/dbraw/zinc/77/68/78/1076776878.db2.gz YWHSPPCFVQREGG-KYZUINATSA-N -1 1 306.351 2.081 20 5 DEBDMM Cc1cc(CSc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])no1 ZINC001591972323 1076821032 /nfs/dbraw/zinc/82/10/32/1076821032.db2.gz FHYUWCFSUOXARV-UHFFFAOYSA-N -1 1 318.318 2.364 20 5 DEBDMM Cc1cc(CSc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])no1 ZINC001591972323 1076821036 /nfs/dbraw/zinc/82/10/36/1076821036.db2.gz FHYUWCFSUOXARV-UHFFFAOYSA-N -1 1 318.318 2.364 20 5 DEBDMM Cc1ncc(CSc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])o1 ZINC001592410117 1076910534 /nfs/dbraw/zinc/91/05/34/1076910534.db2.gz CKYALDKBZGYNKA-UHFFFAOYSA-N -1 1 324.347 2.425 20 5 DEBDMM Cc1ncc(CSc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])o1 ZINC001592410117 1076910539 /nfs/dbraw/zinc/91/05/39/1076910539.db2.gz CKYALDKBZGYNKA-UHFFFAOYSA-N -1 1 324.347 2.425 20 5 DEBDMM Cc1occc1CN(C)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592511296 1076923326 /nfs/dbraw/zinc/92/33/26/1076923326.db2.gz NUCLKTMFEBTRCI-UHFFFAOYSA-N -1 1 314.305 2.313 20 5 DEBDMM Cc1occc1CN(C)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592511296 1076923330 /nfs/dbraw/zinc/92/33/30/1076923330.db2.gz NUCLKTMFEBTRCI-UHFFFAOYSA-N -1 1 314.305 2.313 20 5 DEBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1ncncc1-c1nnn[n-]1 ZINC001593470777 1077007093 /nfs/dbraw/zinc/00/70/93/1077007093.db2.gz IVLJOZJWUQPVPS-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1ncncc1-c1nn[n-]n1 ZINC001593470777 1077007096 /nfs/dbraw/zinc/00/70/96/1077007096.db2.gz IVLJOZJWUQPVPS-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1cc(N2C[C@@H]3CC=CC[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001593474880 1077008749 /nfs/dbraw/zinc/00/87/49/1077008749.db2.gz VERRWZWUBUAAGC-PHIMTYICSA-N -1 1 312.333 2.177 20 5 DEBDMM CC1(C)CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609145638 1077772292 /nfs/dbraw/zinc/77/22/92/1077772292.db2.gz VNTKFMCCUFPMJB-UHFFFAOYSA-N -1 1 302.338 2.401 20 5 DEBDMM CC1(C)CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609145638 1077772296 /nfs/dbraw/zinc/77/22/96/1077772296.db2.gz VNTKFMCCUFPMJB-UHFFFAOYSA-N -1 1 302.338 2.401 20 5 DEBDMM CSC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1 ZINC001609369864 1077842208 /nfs/dbraw/zinc/84/22/08/1077842208.db2.gz OALPMEZXWQXBJG-UHFFFAOYSA-N -1 1 320.378 2.473 20 5 DEBDMM CSC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1 ZINC001609369864 1077842211 /nfs/dbraw/zinc/84/22/11/1077842211.db2.gz OALPMEZXWQXBJG-UHFFFAOYSA-N -1 1 320.378 2.473 20 5 DEBDMM Cc1cncc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC001609440750 1077860014 /nfs/dbraw/zinc/86/00/14/1077860014.db2.gz KWLKLCNPVKJEPB-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1cncc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC001609440750 1077860017 /nfs/dbraw/zinc/86/00/17/1077860017.db2.gz KWLKLCNPVKJEPB-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1ncsc1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609457651 1077863555 /nfs/dbraw/zinc/86/35/55/1077863555.db2.gz LZIDTUPUDATSID-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM C[C@@](CC(=O)[O-])(NCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001609729782 1077911997 /nfs/dbraw/zinc/91/19/97/1077911997.db2.gz CLJGJWAKZUZZFP-INIZCTEOSA-N -1 1 315.329 2.470 20 5 DEBDMM C[C@]1(C(=O)[O-])CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001609812046 1077929184 /nfs/dbraw/zinc/92/91/84/1077929184.db2.gz ZYUMJFFPBOVPRH-HNNXBMFYSA-N -1 1 318.333 2.089 20 5 DEBDMM CSc1n[nH]c(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001626105279 1086383333 /nfs/dbraw/zinc/38/33/33/1086383333.db2.gz AMJMAIBHVBDSCW-ZJUUUORDSA-N -1 1 319.346 2.177 20 5 DEBDMM C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001254541721 1143243119 /nfs/dbraw/zinc/24/31/19/1143243119.db2.gz ILHYUWDSFZGWMM-QMMMGPOBSA-N -1 1 314.305 2.010 20 5 DEBDMM O=C(NC[C@H]1CC2CCC1CC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306864826 1147391730 /nfs/dbraw/zinc/39/17/30/1147391730.db2.gz MGOQXMCGPNWLMH-VQXHTEKXSA-N -1 1 305.334 2.252 20 5 DEBDMM O=C([N-]c1nncn1Cc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000117735670 355778095 /nfs/dbraw/zinc/77/80/95/355778095.db2.gz BBVWRXMVSMGZMG-UHFFFAOYSA-N -1 1 313.273 2.080 20 5 DEBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000193982122 356233134 /nfs/dbraw/zinc/23/31/34/356233134.db2.gz GPDMFLSMHPHHPU-UHFFFAOYSA-N -1 1 320.326 2.331 20 5 DEBDMM Cc1cccc2c1CC[C@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000581422823 357184606 /nfs/dbraw/zinc/18/46/06/357184606.db2.gz OVECWCNOLNGVMK-CYBMUJFWSA-N -1 1 313.313 2.421 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000590396708 357540424 /nfs/dbraw/zinc/54/04/24/357540424.db2.gz QTKSAUHEFSGWMS-UHFFFAOYSA-N -1 1 301.262 2.066 20 5 DEBDMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593787372 358143209 /nfs/dbraw/zinc/14/32/09/358143209.db2.gz USCAFUNJFKCPLC-QWHCGFSZSA-N -1 1 313.313 2.290 20 5 DEBDMM CCC(C)(C)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000594389494 358254915 /nfs/dbraw/zinc/25/49/15/358254915.db2.gz KCTVIGILDGTKND-UHFFFAOYSA-N -1 1 321.377 2.247 20 5 DEBDMM CC(C)(F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594845707 358347791 /nfs/dbraw/zinc/34/77/91/358347791.db2.gz XCCQDGNBLGAAKH-UHFFFAOYSA-N -1 1 308.306 2.150 20 5 DEBDMM O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000428228221 237110697 /nfs/dbraw/zinc/11/06/97/237110697.db2.gz YRJMTBYCNGDTEV-UHFFFAOYSA-N -1 1 316.252 2.099 20 5 DEBDMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186944603 200035277 /nfs/dbraw/zinc/03/52/77/200035277.db2.gz BSMNMECOHNYPIN-MFKMUULPSA-N -1 1 323.349 2.021 20 5 DEBDMM CCc1nc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cs1 ZINC000187513887 200122309 /nfs/dbraw/zinc/12/23/09/200122309.db2.gz HKKVQMFFCOLSLL-SSDOTTSWSA-N -1 1 322.346 2.205 20 5 DEBDMM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278094534 213957390 /nfs/dbraw/zinc/95/73/90/213957390.db2.gz ITSCCYSHKNUMIX-DGCLKSJQSA-N -1 1 313.313 2.056 20 5 DEBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)CCCCF ZINC000288700756 220356444 /nfs/dbraw/zinc/35/64/44/220356444.db2.gz YEFQOWUMVNPTKD-UHFFFAOYSA-N -1 1 320.342 2.233 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1CCCC1 ZINC000157118456 197163093 /nfs/dbraw/zinc/16/30/93/197163093.db2.gz AHQHTFWJGWPPNN-UHFFFAOYSA-N -1 1 302.327 2.202 20 5 DEBDMM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000362434080 133229699 /nfs/dbraw/zinc/22/96/99/133229699.db2.gz DSEOFENYTHHIIQ-UHFFFAOYSA-N -1 1 314.301 2.067 20 5 DEBDMM O=C([O-])CCN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000563277278 292043461 /nfs/dbraw/zinc/04/34/61/292043461.db2.gz OISHBKQBYHOEFE-ZDUSSCGKSA-N -1 1 308.334 2.051 20 5 DEBDMM O=C([O-])[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000563284777 292044101 /nfs/dbraw/zinc/04/41/01/292044101.db2.gz ZBFTWOOZMYGZOL-SECBINFHSA-N -1 1 305.290 2.033 20 5 DEBDMM CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cs1 ZINC000111656180 401719670 /nfs/dbraw/zinc/71/96/70/401719670.db2.gz XHUDIVVTERTBGM-SSDOTTSWSA-N -1 1 322.346 2.205 20 5 DEBDMM CS[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000117426850 401877300 /nfs/dbraw/zinc/87/73/00/401877300.db2.gz GTWBMWVSFLJZAS-WCBMZHEXSA-N -1 1 311.363 2.099 20 5 DEBDMM CC(C)N(Cc1ccco1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278115909 402856791 /nfs/dbraw/zinc/85/67/91/402856791.db2.gz SEQIDLHELMMLTE-UHFFFAOYSA-N -1 1 305.290 2.339 20 5 DEBDMM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000281623834 403076354 /nfs/dbraw/zinc/07/63/54/403076354.db2.gz QAMRXAWVPIOEET-HNNXBMFYSA-N -1 1 324.333 2.247 20 5 DEBDMM Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000268501566 403089305 /nfs/dbraw/zinc/08/93/05/403089305.db2.gz SGYIBEWSBSDPLI-UHFFFAOYSA-N -1 1 322.346 2.305 20 5 DEBDMM O=C(Nc1ccnn1Cc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343267280 403519039 /nfs/dbraw/zinc/51/90/39/403519039.db2.gz QJLIDIIGOGFDDP-UHFFFAOYSA-N -1 1 311.301 2.420 20 5 DEBDMM CC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000340929206 403701027 /nfs/dbraw/zinc/70/10/27/403701027.db2.gz MXQMLDGEBNPRPN-GFCCVEGCSA-N -1 1 315.329 2.447 20 5 DEBDMM Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)n[nH]1 ZINC000343885490 403776122 /nfs/dbraw/zinc/77/61/22/403776122.db2.gz GSLMOFJPRBBUFC-UHFFFAOYSA-N -1 1 312.289 2.269 20 5 DEBDMM CC(C)(C)n1cnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000344048438 403874117 /nfs/dbraw/zinc/87/41/17/403874117.db2.gz NLHIULBWVULQEZ-UHFFFAOYSA-N -1 1 307.285 2.333 20 5 DEBDMM COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000315870469 404018798 /nfs/dbraw/zinc/01/87/98/404018798.db2.gz JGMGVTAQMMARLK-LLVKDONJSA-N -1 1 308.334 2.290 20 5 DEBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1ccccc1 ZINC000349865257 404234290 /nfs/dbraw/zinc/23/42/90/404234290.db2.gz MTJQHIWXYLOQJI-UHFFFAOYSA-N -1 1 313.273 2.154 20 5 DEBDMM 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/nfs/dbraw/zinc/37/97/54/1078379754.db2.gz UVZOZTCOTWMFKS-UHFFFAOYSA-N -1 1 309.228 2.413 20 5 DEBDMM O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(F)c1[O-] ZINC001642769304 1078769008 /nfs/dbraw/zinc/76/90/08/1078769008.db2.gz SVUWFZOLWDQRMP-UHFFFAOYSA-N -1 1 306.249 2.457 20 5 DEBDMM O=C([N-]c1nc2cnccn2n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001544538126 1072537958 /nfs/dbraw/zinc/53/79/58/1072537958.db2.gz NYQAZYRFSDFVOY-UHFFFAOYSA-N -1 1 324.256 2.031 20 5 DEBDMM COc1cccc([O-])c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001648298136 1074992431 /nfs/dbraw/zinc/99/24/31/1074992431.db2.gz CMLOSGYWWMKWEC-UHFFFAOYSA-N -1 1 317.301 2.452 20 5 DEBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc([O-])c1F ZINC001585278441 1076346068 /nfs/dbraw/zinc/34/60/68/1076346068.db2.gz DLMVVCJPTFHMRU-UHFFFAOYSA-N -1 1 320.276 2.248 20 5 DEBDMM C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001590210138 1076584752 /nfs/dbraw/zinc/58/47/52/1076584752.db2.gz WINMHPGAUMWUGK-DOFRTFSJSA-N -1 1 318.337 2.143 20 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CC[C@@H]1OCC[C@H]1Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590862267 1076686704 /nfs/dbraw/zinc/68/67/04/1076686704.db2.gz ODFSVNKJBGSOLZ-NEPJUHHUSA-N -1 1 318.337 2.063 20 5 DEBDMM Cc1c(CNc2cccnc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591818127 1076788568 /nfs/dbraw/zinc/78/85/68/1076788568.db2.gz FRIKBDSTKSRLGN-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1c(CNc2cccnc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591818127 1076788571 /nfs/dbraw/zinc/78/85/71/1076788571.db2.gz FRIKBDSTKSRLGN-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1ncccc1CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001592416925 1076910507 /nfs/dbraw/zinc/91/05/07/1076910507.db2.gz FVPDDPRMTNHMKG-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM Cc1ncccc1CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001592416925 1076910511 /nfs/dbraw/zinc/91/05/11/1076910511.db2.gz FVPDDPRMTNHMKG-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1C[C@H]2CCCC[C@@H]2C1 ZINC001593467393 1077005249 /nfs/dbraw/zinc/00/52/49/1077005249.db2.gz XOSZIPNSZCIWBW-GHMZBOCLSA-N -1 1 314.349 2.401 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1C[C@H]2CCCC[C@@H]2C1 ZINC001593467393 1077005252 /nfs/dbraw/zinc/00/52/52/1077005252.db2.gz XOSZIPNSZCIWBW-GHMZBOCLSA-N -1 1 314.349 2.401 20 5 DEBDMM O=[N+]([O-])c1c(Oc2cccnc2F)cccc1-c1nnn[n-]1 ZINC001593468503 1077005497 /nfs/dbraw/zinc/00/54/97/1077005497.db2.gz GEPQJMSJCFJXTQ-UHFFFAOYSA-N -1 1 302.225 2.101 20 5 DEBDMM O=[N+]([O-])c1c(Oc2cccnc2F)cccc1-c1nn[n-]n1 ZINC001593468503 1077005503 /nfs/dbraw/zinc/00/55/03/1077005503.db2.gz GEPQJMSJCFJXTQ-UHFFFAOYSA-N -1 1 302.225 2.101 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCCC(F)(F)CC1 ZINC001593465969 1077005716 /nfs/dbraw/zinc/00/57/16/1077005716.db2.gz CKPTUBIIINFWPL-UHFFFAOYSA-N -1 1 324.291 2.401 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCCC(F)(F)CC1 ZINC001593465969 1077005719 /nfs/dbraw/zinc/00/57/19/1077005719.db2.gz CKPTUBIIINFWPL-UHFFFAOYSA-N -1 1 324.291 2.401 20 5 DEBDMM O=[N+]([O-])c1c(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cccc1-c1nnn[n-]1 ZINC001593465669 1077005789 /nfs/dbraw/zinc/00/57/89/1077005789.db2.gz QVTITQGWYWVJTQ-ZFRGLUTLSA-N -1 1 322.275 2.231 20 5 DEBDMM O=[N+]([O-])c1c(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cccc1-c1nn[n-]n1 ZINC001593465669 1077005794 /nfs/dbraw/zinc/00/57/94/1077005794.db2.gz QVTITQGWYWVJTQ-ZFRGLUTLSA-N -1 1 322.275 2.231 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593489121 1077011807 /nfs/dbraw/zinc/01/18/07/1077011807.db2.gz WPNGMVPYLPUHIP-GJMOJQLCSA-N -1 1 306.351 2.437 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593489121 1077011811 /nfs/dbraw/zinc/01/18/11/1077011811.db2.gz WPNGMVPYLPUHIP-GJMOJQLCSA-N -1 1 306.351 2.437 20 5 DEBDMM O=C([O-])[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC001608635121 1077667921 /nfs/dbraw/zinc/66/79/21/1077667921.db2.gz IMYYHWWYRQXDOJ-GUTXKFCHSA-N -1 1 320.345 2.376 20 5 DEBDMM CC(F)(F)CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609116373 1077765299 /nfs/dbraw/zinc/76/52/99/1077765299.db2.gz JQXSTXVMFSRCTD-UHFFFAOYSA-N -1 1 313.268 2.017 20 5 DEBDMM CC(F)(F)CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609116373 1077765304 /nfs/dbraw/zinc/76/53/04/1077765304.db2.gz JQXSTXVMFSRCTD-UHFFFAOYSA-N -1 1 313.268 2.017 20 5 DEBDMM CC1(C)CC(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609144345 1077771583 /nfs/dbraw/zinc/77/15/83/1077771583.db2.gz RTYJFOLEIBZKEO-UHFFFAOYSA-N -1 1 303.326 2.018 20 5 DEBDMM CC1(C)CC(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609144345 1077771586 /nfs/dbraw/zinc/77/15/86/1077771586.db2.gz RTYJFOLEIBZKEO-UHFFFAOYSA-N -1 1 303.326 2.018 20 5 DEBDMM CC[C@H](CSC)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609192063 1077792408 /nfs/dbraw/zinc/79/24/08/1077792408.db2.gz TTWGCBXFSKUGKH-MRVPVSSYSA-N -1 1 308.367 2.328 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2CCC[C@@H](F)C2)cccc1-c1nnn[n-]1 ZINC001609599845 1077880956 /nfs/dbraw/zinc/88/09/56/1077880956.db2.gz DPVMXVYYAWGMMD-RKDXNWHRSA-N -1 1 306.301 2.468 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2CCC[C@@H](F)C2)cccc1-c1nn[n-]n1 ZINC001609599845 1077880957 /nfs/dbraw/zinc/88/09/57/1077880957.db2.gz DPVMXVYYAWGMMD-RKDXNWHRSA-N -1 1 306.301 2.468 20 5 DEBDMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC001651796287 1079834125 /nfs/dbraw/zinc/83/41/25/1079834125.db2.gz QMHTXQJBNWRFNX-JTQLQIEISA-N -1 1 314.297 2.361 20 5 DEBDMM COc1c(F)cc(F)cc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893249 1087756997 /nfs/dbraw/zinc/75/69/97/1087756997.db2.gz UDUPSPOUODJQJT-UHFFFAOYSA-N -1 1 323.215 2.322 20 5 DEBDMM C[C@@]12CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000957092304 1088024231 /nfs/dbraw/zinc/02/42/31/1088024231.db2.gz KUOAQWVGSFKMJA-WKCLZBRGSA-N -1 1 317.345 2.204 20 5 DEBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc([O-])c(F)c1 ZINC000613443001 362114955 /nfs/dbraw/zinc/11/49/55/362114955.db2.gz FLJDYVZJUGURQR-UHFFFAOYSA-N -1 1 319.292 2.281 20 5 DEBDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000613509672 362133565 /nfs/dbraw/zinc/13/35/65/362133565.db2.gz UAVQOHCJKFQARK-UHFFFAOYSA-N -1 1 304.277 2.412 20 5 DEBDMM CC(C)SCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000286760876 219152527 /nfs/dbraw/zinc/15/25/27/219152527.db2.gz PRWLBWGLKNJIDQ-UHFFFAOYSA-N -1 1 322.383 2.154 20 5 DEBDMM Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350819475 356572811 /nfs/dbraw/zinc/57/28/11/356572811.db2.gz ZWPOHSKUMQZXBL-UHFFFAOYSA-N -1 1 321.680 2.404 20 5 DEBDMM Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350839385 356575469 /nfs/dbraw/zinc/57/54/69/356575469.db2.gz VYHDAYAZUOPHPW-UHFFFAOYSA-N -1 1 319.252 2.043 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1C1CCCC1 ZINC000186995166 200045158 /nfs/dbraw/zinc/04/51/58/200045158.db2.gz RVNYCTLLDXRKMA-LBPRGKRZSA-N -1 1 305.334 2.490 20 5 DEBDMM COCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000604247661 360893300 /nfs/dbraw/zinc/89/33/00/360893300.db2.gz HXQSEDZMAUGEDL-UHFFFAOYSA-N -1 1 319.317 2.338 20 5 DEBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Cc1cccs1 ZINC000193626741 201089914 /nfs/dbraw/zinc/08/99/14/201089914.db2.gz VAZIODRJSWGWNM-SECBINFHSA-N -1 1 321.358 2.366 20 5 DEBDMM Cc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(C)c1 ZINC000610261235 361376407 /nfs/dbraw/zinc/37/64/07/361376407.db2.gz PKQQMXDHDMGJFP-UHFFFAOYSA-N -1 1 321.358 2.085 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000157221135 197171315 /nfs/dbraw/zinc/17/13/15/197171315.db2.gz YFBDRUVOVREFHS-SECBINFHSA-N -1 1 300.311 2.121 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000157122149 197164192 /nfs/dbraw/zinc/16/41/92/197164192.db2.gz LKYWJZXIHGSKON-UHFFFAOYSA-N -1 1 316.335 2.274 20 5 DEBDMM O=c1cc(C(F)F)nc(SCCn2cc([N+](=O)[O-])cn2)[n-]1 ZINC000289469179 220997837 /nfs/dbraw/zinc/99/78/37/220997837.db2.gz HDCIWPYKBRXQSD-UHFFFAOYSA-N -1 1 317.277 2.017 20 5 DEBDMM C[S@](=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000360027298 133157806 /nfs/dbraw/zinc/15/78/06/133157806.db2.gz HGRJUBWPDZRSFL-NRFANRHFSA-N -1 1 307.331 2.054 20 5 DEBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000262685970 145300198 /nfs/dbraw/zinc/30/01/98/145300198.db2.gz VAOOQPMMAIUQGB-NSHDSACASA-N -1 1 308.334 2.290 20 5 DEBDMM CC(C)n1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)n[n-]c1=S ZINC000066639525 402138391 /nfs/dbraw/zinc/13/83/91/402138391.db2.gz JOLBBSGXJBWWDY-UHFFFAOYSA-N -1 1 321.362 2.360 20 5 DEBDMM O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187078571 402481811 /nfs/dbraw/zinc/48/18/11/402481811.db2.gz RGOHMCMWSYIOOO-RYUDHWBXSA-N -1 1 317.276 2.120 20 5 DEBDMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000282210306 403132864 /nfs/dbraw/zinc/13/28/64/403132864.db2.gz NZINNQOJDGBXCR-MRVPVSSYSA-N -1 1 315.276 2.251 20 5 DEBDMM COC(=O)c1cnc([N-]c2cnn(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000302792674 403727641 /nfs/dbraw/zinc/72/76/41/403727641.db2.gz ZOQNDQIEDQOLJU-UHFFFAOYSA-N -1 1 305.294 2.297 20 5 DEBDMM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnn[n-]1 ZINC000347611025 403774910 /nfs/dbraw/zinc/77/49/10/403774910.db2.gz CJFBALUMCNIAPX-UHFFFAOYSA-N -1 1 322.350 2.252 20 5 DEBDMM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nn[n-]n1 ZINC000347611025 403774914 /nfs/dbraw/zinc/77/49/14/403774914.db2.gz CJFBALUMCNIAPX-UHFFFAOYSA-N -1 1 322.350 2.252 20 5 DEBDMM Cc1ccsc1CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000338742286 404514803 /nfs/dbraw/zinc/51/48/03/404514803.db2.gz FSIUTVUSCYSDCP-UHFFFAOYSA-N -1 1 307.331 2.338 20 5 DEBDMM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000342378056 404541426 /nfs/dbraw/zinc/54/14/26/404541426.db2.gz KKZJTBPZEWBQIO-JOCHJYFZSA-N -1 1 321.358 2.362 20 5 DEBDMM CC(=O)c1ccc(O)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000436678726 405122748 /nfs/dbraw/zinc/12/27/48/405122748.db2.gz HQCYUCIYZOUEKL-UHFFFAOYSA-N -1 1 316.269 2.461 20 5 DEBDMM CC[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C)OC ZINC000421141350 405450879 /nfs/dbraw/zinc/45/08/79/405450879.db2.gz PCWWGIUKTHTMTD-SNVBAGLBSA-N -1 1 302.352 2.070 20 5 DEBDMM C[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC000451074477 406039869 /nfs/dbraw/zinc/03/98/69/406039869.db2.gz WQDLNVVOGOSJMH-MRVPVSSYSA-N -1 1 308.306 2.058 20 5 DEBDMM Nc1c(C(=O)Nc2cccc([O-])c2F)cc(F)cc1[N+](=O)[O-] ZINC000129712562 196069974 /nfs/dbraw/zinc/06/99/74/196069974.db2.gz YWRSFIBEONBXMN-UHFFFAOYSA-N -1 1 309.228 2.413 20 5 DEBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000189536255 535888965 /nfs/dbraw/zinc/88/89/65/535888965.db2.gz SEPDOHNTCNFRBN-JTQLQIEISA-N -1 1 320.305 2.181 20 5 DEBDMM CC[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000451624100 535925265 /nfs/dbraw/zinc/92/52/65/535925265.db2.gz MGEZWMVYRLEIGM-JTQLQIEISA-N -1 1 308.306 2.058 20 5 DEBDMM Cc1csc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000822414290 599191283 /nfs/dbraw/zinc/19/12/83/599191283.db2.gz BGJMBALEWGXPFA-UHFFFAOYSA-N -1 1 321.347 2.086 20 5 DEBDMM O=[N+]([O-])c1ccc(NCc2ccsc2)cc1-c1nnn[n-]1 ZINC000826499042 607453095 /nfs/dbraw/zinc/45/30/95/607453095.db2.gz SVWJRMFLGINSAA-UHFFFAOYSA-N -1 1 302.319 2.449 20 5 DEBDMM O=[N+]([O-])c1ccc(NCc2ccsc2)cc1-c1nn[n-]n1 ZINC000826499042 607453097 /nfs/dbraw/zinc/45/30/97/607453097.db2.gz SVWJRMFLGINSAA-UHFFFAOYSA-N -1 1 302.319 2.449 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1C[C@H]1c1ccccc1 ZINC000823620726 606701806 /nfs/dbraw/zinc/70/18/06/606701806.db2.gz PEGLYXGPXPCTPS-RYUDHWBXSA-N -1 1 323.316 2.138 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1C[C@H]1c1ccccc1 ZINC000823620726 606701808 /nfs/dbraw/zinc/70/18/08/606701808.db2.gz PEGLYXGPXPCTPS-RYUDHWBXSA-N -1 1 323.316 2.138 20 5 DEBDMM Cc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822362163 607162969 /nfs/dbraw/zinc/16/29/69/607162969.db2.gz MYINMWWPGHKVIT-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822362163 607162971 /nfs/dbraw/zinc/16/29/71/607162971.db2.gz MYINMWWPGHKVIT-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC000760633048 640215090 /nfs/dbraw/zinc/21/50/90/640215090.db2.gz CZQXZTKOPSLPDH-UHFFFAOYSA-N -1 1 316.766 2.469 20 5 DEBDMM CN(C)c1cc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccn1 ZINC000767576620 640995451 /nfs/dbraw/zinc/99/54/51/640995451.db2.gz JFLUTOVAFXWWHJ-UHFFFAOYSA-N -1 1 317.301 2.118 20 5 DEBDMM O=C(O[C@@H]1Cc2ccccc2C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071786 642581576 /nfs/dbraw/zinc/58/15/76/642581576.db2.gz LAAVACBMWAFPJZ-CQSZACIVSA-N -1 1 313.265 2.265 20 5 DEBDMM CCOc1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc1 ZINC000780076521 642582522 /nfs/dbraw/zinc/58/25/22/642582522.db2.gz RFAUNBHASNFMRY-UHFFFAOYSA-N -1 1 318.285 2.451 20 5 DEBDMM CCCC[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC ZINC000780076647 642582833 /nfs/dbraw/zinc/58/28/33/642582833.db2.gz SJNFIUCNAUQBPV-LBPRGKRZSA-N -1 1 311.290 2.189 20 5 DEBDMM CCN(CCC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000901601451 642724310 /nfs/dbraw/zinc/72/43/10/642724310.db2.gz FXKJVCONBGXLLU-UHFFFAOYSA-N -1 1 318.276 2.493 20 5 DEBDMM COCCSCCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000784217692 643109575 /nfs/dbraw/zinc/10/95/75/643109575.db2.gz UGVHSCSMBYVQCW-UHFFFAOYSA-N -1 1 315.347 2.227 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000785343016 643222585 /nfs/dbraw/zinc/22/25/85/643222585.db2.gz KWRNFIXKCBYPFC-BZBKMWRSSA-N -1 1 316.766 2.325 20 5 DEBDMM COC(=O)c1ccc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])[n-]1 ZINC000796368614 644725530 /nfs/dbraw/zinc/72/55/30/644725530.db2.gz GNTVTNYOMSIXCP-UHFFFAOYSA-N -1 1 322.248 2.206 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1CCCC1 ZINC000101568238 649823069 /nfs/dbraw/zinc/82/30/69/649823069.db2.gz WEPPDPOHDQLJBZ-UHFFFAOYSA-N -1 1 304.755 2.469 20 5 DEBDMM Cc1ccc(N2CC(C[N-]C(=O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000866294912 687525751 /nfs/dbraw/zinc/52/57/51/687525751.db2.gz XZAUZAVBTRUFSD-UHFFFAOYSA-N -1 1 317.267 2.018 20 5 DEBDMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931319290 694366879 /nfs/dbraw/zinc/36/68/79/694366879.db2.gz XZLIFRAWUKGYTN-BFHYXJOUSA-N -1 1 306.318 2.273 20 5 DEBDMM O=c1nc2nc[nH]c2c(Nc2cc([N+](=O)[O-])cc3cc[nH]c32)[n-]1 ZINC001170232305 786858814 /nfs/dbraw/zinc/85/88/14/786858814.db2.gz IIIQMUKWRWBPLY-UHFFFAOYSA-N -1 1 311.261 2.192 20 5 DEBDMM CCOC(=O)c1nc([C@@H](C)Nc2ccc(F)cc2[N+](=O)[O-])n[n-]1 ZINC001163696332 799409778 /nfs/dbraw/zinc/40/97/78/799409778.db2.gz MOHOXHFKVDKCAA-SSDOTTSWSA-N -1 1 323.284 2.202 20 5 DEBDMM CCOC(=O)c1nnc([C@@H](C)Nc2ccc(F)cc2[N+](=O)[O-])[n-]1 ZINC001163696332 799409785 /nfs/dbraw/zinc/40/97/85/799409785.db2.gz MOHOXHFKVDKCAA-SSDOTTSWSA-N -1 1 323.284 2.202 20 5 DEBDMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2ccc(F)cc2[N+](=O)[O-])n1 ZINC001163696332 799409791 /nfs/dbraw/zinc/40/97/91/799409791.db2.gz MOHOXHFKVDKCAA-SSDOTTSWSA-N -1 1 323.284 2.202 20 5 DEBDMM O=C1OCCC[C@H]1Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233501177 802135857 /nfs/dbraw/zinc/13/58/57/802135857.db2.gz XFPRMTDWJBSKFK-SNVBAGLBSA-N -1 1 311.681 2.209 20 5 DEBDMM CC[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C(=O)OC ZINC001233505749 802137657 /nfs/dbraw/zinc/13/76/57/802137657.db2.gz FQZMEIWUYKYSOA-SNVBAGLBSA-N -1 1 313.697 2.455 20 5 DEBDMM CC(=O)c1ccc([O-])cc1O[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001225618449 802991726 /nfs/dbraw/zinc/99/17/26/802991726.db2.gz FFMXVNZTFVHKLX-SECBINFHSA-N -1 1 319.317 2.475 20 5 DEBDMM C/C(=C/Cl)CSc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602900348 1069788867 /nfs/dbraw/zinc/78/88/67/1069788867.db2.gz FHLVUICFZVWUIE-UTCJRWHESA-N -1 1 312.742 2.405 20 5 DEBDMM CCOC(C)(C)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604398760 1070363441 /nfs/dbraw/zinc/36/34/41/1070363441.db2.gz RBLBNKDTGBUMQA-UHFFFAOYSA-N -1 1 306.326 2.002 20 5 DEBDMM CCOC(C)(C)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604398760 1070363458 /nfs/dbraw/zinc/36/34/58/1070363458.db2.gz RBLBNKDTGBUMQA-UHFFFAOYSA-N -1 1 306.326 2.002 20 5 DEBDMM COC1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCCC1 ZINC001605021263 1070575430 /nfs/dbraw/zinc/57/54/30/1070575430.db2.gz SLDYXYWMYPFPEF-UHFFFAOYSA-N -1 1 318.337 2.146 20 5 DEBDMM CSC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605377641 1070694072 /nfs/dbraw/zinc/69/40/72/1070694072.db2.gz YEBALMGLFUGUQU-SNVBAGLBSA-N -1 1 320.378 2.107 20 5 DEBDMM Cc1cc(N2CC[C@@H](C)[C@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605694524 1070844286 /nfs/dbraw/zinc/84/42/86/1070844286.db2.gz OZVQXWFVVCLOBG-PSASIEDQSA-N -1 1 302.338 2.318 20 5 DEBDMM Cc1cc(N2CC[C@@H](C)[C@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605694524 1070844315 /nfs/dbraw/zinc/84/43/15/1070844315.db2.gz OZVQXWFVVCLOBG-PSASIEDQSA-N -1 1 302.338 2.318 20 5 DEBDMM Cc1cc(N[C@@H](C)CCCCO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605722264 1070873512 /nfs/dbraw/zinc/87/35/12/1070873512.db2.gz ZWXFVFBTCQULPN-JTQLQIEISA-N -1 1 320.353 2.046 20 5 DEBDMM Cc1cc(N[C@@H](C)CCCCO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605722264 1070873534 /nfs/dbraw/zinc/87/35/34/1070873534.db2.gz ZWXFVFBTCQULPN-JTQLQIEISA-N -1 1 320.353 2.046 20 5 DEBDMM CCc1ncc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])[nH]1 ZINC001605852638 1070946188 /nfs/dbraw/zinc/94/61/88/1070946188.db2.gz BTNLSHQKTVMZNM-UHFFFAOYSA-N -1 1 304.306 2.499 20 5 DEBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc([O-])cn1 ZINC001466441870 1059471569 /nfs/dbraw/zinc/47/15/69/1059471569.db2.gz YQTMWFALOHILFT-UHFFFAOYSA-N -1 1 321.720 2.321 20 5 DEBDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccns1 ZINC001622425561 1078189507 /nfs/dbraw/zinc/18/95/07/1078189507.db2.gz JQUPEXPYFFHPPQ-MRVPVSSYSA-N -1 1 313.360 2.091 20 5 DEBDMM Cc1cnc(NCc2ccc(-c3nn[n-]n3)s2)c([N+](=O)[O-])c1 ZINC001581320105 1076063647 /nfs/dbraw/zinc/06/36/47/1076063647.db2.gz DRBAIJBTPMEJIZ-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM O=[N+]([O-])c1ccc(Oc2ncncc2-c2nnn[n-]2)cc1Cl ZINC001582804694 1076185333 /nfs/dbraw/zinc/18/53/33/1076185333.db2.gz YZOZVAIYAUOOKJ-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1ccc(Oc2ncncc2-c2nn[n-]n2)cc1Cl ZINC001582804694 1076185337 /nfs/dbraw/zinc/18/53/37/1076185337.db2.gz YZOZVAIYAUOOKJ-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM CC(C)(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(F)(F)F ZINC001586626726 1076403144 /nfs/dbraw/zinc/40/31/44/1076403144.db2.gz HLADZHOLUPISTO-SNVBAGLBSA-N -1 1 321.255 2.402 20 5 DEBDMM CC(C)[C@]1(C)C[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589490579 1076492233 /nfs/dbraw/zinc/49/22/33/1076492233.db2.gz MFRHWWZDHDGXBN-RNCFNFMXSA-N -1 1 303.326 2.016 20 5 DEBDMM CC(C)[C@]1(C)C[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589490579 1076492238 /nfs/dbraw/zinc/49/22/38/1076492238.db2.gz MFRHWWZDHDGXBN-RNCFNFMXSA-N -1 1 303.326 2.016 20 5 DEBDMM CC1(C)CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590090352 1076560923 /nfs/dbraw/zinc/56/09/23/1076560923.db2.gz JRQQNYAEWSXPPH-MRVPVSSYSA-N -1 1 317.353 2.348 20 5 DEBDMM CC1(C)CC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590090352 1076560927 /nfs/dbraw/zinc/56/09/27/1076560927.db2.gz JRQQNYAEWSXPPH-MRVPVSSYSA-N -1 1 317.353 2.348 20 5 DEBDMM C[C@]1(F)CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001590142304 1076573667 /nfs/dbraw/zinc/57/36/67/1076573667.db2.gz XCAMLLITYMKKNE-ZDUSSCGKSA-N -1 1 306.301 2.103 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001590191660 1076579503 /nfs/dbraw/zinc/57/95/03/1076579503.db2.gz GVJVKEDSAINGLS-ZJUUUORDSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001590191660 1076579507 /nfs/dbraw/zinc/57/95/07/1076579507.db2.gz GVJVKEDSAINGLS-ZJUUUORDSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H]1C ZINC001590276705 1076605866 /nfs/dbraw/zinc/60/58/66/1076605866.db2.gz POFQYTSCBJKLFW-HTQZYQBOSA-N -1 1 308.367 2.319 20 5 DEBDMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H]1C ZINC001590276705 1076605868 /nfs/dbraw/zinc/60/58/68/1076605868.db2.gz POFQYTSCBJKLFW-HTQZYQBOSA-N -1 1 308.367 2.319 20 5 DEBDMM CN(CCC(C)(C)C)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591064721 1076707165 /nfs/dbraw/zinc/70/71/65/1076707165.db2.gz SFEFRZQBWOWIAC-UHFFFAOYSA-N -1 1 319.369 2.230 20 5 DEBDMM CN(CCC(C)(C)C)c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591064721 1076707168 /nfs/dbraw/zinc/70/71/68/1076707168.db2.gz SFEFRZQBWOWIAC-UHFFFAOYSA-N -1 1 319.369 2.230 20 5 DEBDMM Cc1cc(N2C[C@@H](C)C[C@@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591998844 1076829254 /nfs/dbraw/zinc/82/92/54/1076829254.db2.gz IKOVLFGXILHGSF-WPRPVWTQSA-N -1 1 302.338 2.318 20 5 DEBDMM Cc1cc(N2C[C@@H](C)C[C@@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591998844 1076829260 /nfs/dbraw/zinc/82/92/60/1076829260.db2.gz IKOVLFGXILHGSF-WPRPVWTQSA-N -1 1 302.338 2.318 20 5 DEBDMM Cc1cc(N2C[C@@H]3CCC[C@@H]3C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592010703 1076829687 /nfs/dbraw/zinc/82/96/87/1076829687.db2.gz BYFPBDVOFXOSSI-PHIMTYICSA-N -1 1 314.349 2.320 20 5 DEBDMM Cc1cc(N2C[C@@H]3CCC[C@@H]3C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592010703 1076829692 /nfs/dbraw/zinc/82/96/92/1076829692.db2.gz BYFPBDVOFXOSSI-PHIMTYICSA-N -1 1 314.349 2.320 20 5 DEBDMM Cc1cc(NC[C@H]2C=CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592043444 1076837054 /nfs/dbraw/zinc/83/70/54/1076837054.db2.gz GNBFNTMRXIYYNJ-JTQLQIEISA-N -1 1 300.322 2.461 20 5 DEBDMM Cc1cc(NC[C@H]2C=CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592043444 1076837058 /nfs/dbraw/zinc/83/70/58/1076837058.db2.gz GNBFNTMRXIYYNJ-JTQLQIEISA-N -1 1 300.322 2.461 20 5 DEBDMM Cc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1[N+](=O)[O-] ZINC001592167083 1076865970 /nfs/dbraw/zinc/86/59/70/1076865970.db2.gz ZDMPVTDWNYAVLE-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC001592167083 1076865973 /nfs/dbraw/zinc/86/59/73/1076865973.db2.gz ZDMPVTDWNYAVLE-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM O=Cc1ccc(Oc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001593416135 1077003889 /nfs/dbraw/zinc/00/38/89/1077003889.db2.gz MUNQTCYELGCHCL-UHFFFAOYSA-N -1 1 317.286 2.441 20 5 DEBDMM O=Cc1ccc(Oc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001593416135 1077003896 /nfs/dbraw/zinc/00/38/96/1077003896.db2.gz MUNQTCYELGCHCL-UHFFFAOYSA-N -1 1 317.286 2.441 20 5 DEBDMM O=[N+]([O-])c1cc(NC[C@@H]2CCCSC2)ccc1-c1nn[n-]n1 ZINC001593473486 1077006855 /nfs/dbraw/zinc/00/68/55/1077006855.db2.gz FCYHEOZZPSDUMS-VIFPVBQESA-N -1 1 320.378 2.330 20 5 DEBDMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccnc2)cc1[N+](=O)[O-] ZINC001600419479 1077197976 /nfs/dbraw/zinc/19/79/76/1077197976.db2.gz NJZNRUVWJCBAAC-AWEZNQCLSA-N -1 1 301.302 2.214 20 5 DEBDMM Cc1nn(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC001608012112 1077577715 /nfs/dbraw/zinc/57/77/15/1077577715.db2.gz UUDBACTVFZBTFL-GFCCVEGCSA-N -1 1 324.381 2.188 20 5 DEBDMM C[C@@H]1[C@@H](C)CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609166920 1077782666 /nfs/dbraw/zinc/78/26/66/1077782666.db2.gz KAWBCHZMJUETMD-VHSXEESVSA-N -1 1 302.338 2.400 20 5 DEBDMM C[C@H]1OCC[C@H]1Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609179427 1077786565 /nfs/dbraw/zinc/78/65/65/1077786565.db2.gz RGCLUTPYOJPNTQ-VXNVDRBHSA-N -1 1 307.335 2.044 20 5 DEBDMM C[C@H]1OCC[C@H]1Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609179427 1077786568 /nfs/dbraw/zinc/78/65/68/1077786568.db2.gz RGCLUTPYOJPNTQ-VXNVDRBHSA-N -1 1 307.335 2.044 20 5 DEBDMM CC[C@@H]1[C@@H](C)CCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609198552 1077794651 /nfs/dbraw/zinc/79/46/51/1077794651.db2.gz DDCZKAJMZQSUBI-JOYOIKCWSA-N -1 1 302.338 2.400 20 5 DEBDMM CC[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1 ZINC001609203043 1077797983 /nfs/dbraw/zinc/79/79/83/1077797983.db2.gz VLBLKKHKPSDHGU-SECBINFHSA-N -1 1 320.378 2.107 20 5 DEBDMM CC[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1 ZINC001609203043 1077797986 /nfs/dbraw/zinc/79/79/86/1077797986.db2.gz VLBLKKHKPSDHGU-SECBINFHSA-N -1 1 320.378 2.107 20 5 DEBDMM Cc1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c(C)c1 ZINC001666512297 1081156683 /nfs/dbraw/zinc/15/66/83/1081156683.db2.gz YSRDBNJMAYIFMV-UHFFFAOYSA-N -1 1 321.358 2.085 20 5 DEBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC3COC3)c12 ZINC001234745535 1084204959 /nfs/dbraw/zinc/20/49/59/1084204959.db2.gz UFRLQESZPYWWGL-UHFFFAOYSA-N -1 1 300.266 2.135 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000590397823 357540010 /nfs/dbraw/zinc/54/00/10/357540010.db2.gz GZVCDSKDBQNFFF-UHFFFAOYSA-N -1 1 317.305 2.159 20 5 DEBDMM Cc1ccccc1C1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000592825940 357951289 /nfs/dbraw/zinc/95/12/89/357951289.db2.gz LVVNFQXCMOTKFP-UHFFFAOYSA-N -1 1 313.313 2.423 20 5 DEBDMM COCCCn1ccc([N-]c2c(Cl)cncc2[N+](=O)[O-])n1 ZINC000596136487 358619277 /nfs/dbraw/zinc/61/92/77/358619277.db2.gz IOUNNZBQVSHIOG-UHFFFAOYSA-N -1 1 311.729 2.042 20 5 DEBDMM O=C(N[C@@H]1CC[C@@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598306048 359157860 /nfs/dbraw/zinc/15/78/60/359157860.db2.gz PQWHEUYTQQECLG-CHWSQXEVSA-N -1 1 313.313 2.371 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000193387088 201042842 /nfs/dbraw/zinc/04/28/42/201042842.db2.gz JVCNUFOKZYPRHG-ZYHUDNBSSA-N -1 1 305.334 2.490 20 5 DEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H]1Cc1ccccc1 ZINC000359812672 133146608 /nfs/dbraw/zinc/14/66/08/133146608.db2.gz WRXSEZGKPCWJHR-LBPRGKRZSA-N -1 1 313.313 2.153 20 5 DEBDMM O=C(NCc1cccc2cc[nH]c21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000346037846 146004347 /nfs/dbraw/zinc/00/43/47/146004347.db2.gz JQVQJMZZQQDQIZ-UHFFFAOYSA-N -1 1 312.285 2.107 20 5 DEBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(F)(F)F ZINC000348128658 146220730 /nfs/dbraw/zinc/22/07/30/146220730.db2.gz UANFFSADHDJNTO-QMMMGPOBSA-N -1 1 307.228 2.012 20 5 DEBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccccc1O ZINC000133393735 401884003 /nfs/dbraw/zinc/88/40/03/401884003.db2.gz UISFTDPMGPMATC-UHFFFAOYSA-N -1 1 322.342 2.285 20 5 DEBDMM CCCCCc1nnc([N-]C(=O)c2c([N+](=O)[O-])cnn2C)s1 ZINC000163390366 402448350 /nfs/dbraw/zinc/44/83/50/402448350.db2.gz AOOCMFVKZYJRSS-UHFFFAOYSA-N -1 1 324.366 2.165 20 5 DEBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])C1 ZINC000178897503 402552011 /nfs/dbraw/zinc/55/20/11/402552011.db2.gz MHMXHMVBVILQIV-NSHDSACASA-N -1 1 308.334 2.289 20 5 DEBDMM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000192695745 402745328 /nfs/dbraw/zinc/74/53/28/402745328.db2.gz LCNQZAPMFAWJEE-ZWNOBZJWSA-N -1 1 323.349 2.021 20 5 DEBDMM O=C(NCCc1ccccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000343411229 403577196 /nfs/dbraw/zinc/57/71/96/403577196.db2.gz KHQAJZKVEMOZDX-UHFFFAOYSA-N -1 1 321.720 2.321 20 5 DEBDMM CCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303939628 403756577 /nfs/dbraw/zinc/75/65/77/403756577.db2.gz XCRMNWVLHRGVOE-UHFFFAOYSA-N -1 1 301.302 2.188 20 5 DEBDMM CC(F)(F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000297267473 404525691 /nfs/dbraw/zinc/52/56/91/404525691.db2.gz ZEBWDSZLRAORSC-UHFFFAOYSA-N -1 1 312.269 2.058 20 5 DEBDMM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(F)cc1 ZINC000353025190 404723904 /nfs/dbraw/zinc/72/39/04/404723904.db2.gz QTGSFYCBSDDNSX-VIFPVBQESA-N -1 1 319.292 2.368 20 5 DEBDMM C[C@@H]1CCC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1C ZINC000361275363 405002983 /nfs/dbraw/zinc/00/29/83/405002983.db2.gz WJECIGUERBUACH-OUAUKWLOSA-N -1 1 307.350 2.498 20 5 DEBDMM O=C(Nc1c[nH]nc1-c1nccs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000446589578 405385930 /nfs/dbraw/zinc/38/59/30/405385930.db2.gz LEIDHLJALGMIKQ-UHFFFAOYSA-N -1 1 304.291 2.022 20 5 DEBDMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000578019978 405558035 /nfs/dbraw/zinc/55/80/35/405558035.db2.gz NSFUNCFEQSYKJS-WPRPVWTQSA-N -1 1 305.290 2.031 20 5 DEBDMM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525700135 406496495 /nfs/dbraw/zinc/49/64/95/406496495.db2.gz BYTLTJFGEMUBPC-WDEREUQCSA-N -1 1 313.379 2.094 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCSC[C@H]1C1CCC1 ZINC000416328503 280227867 /nfs/dbraw/zinc/22/78/67/280227867.db2.gz STBNDINZLZYPIS-LBPRGKRZSA-N -1 1 323.374 2.053 20 5 DEBDMM O=C([O-])Cc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000821537845 597652197 /nfs/dbraw/zinc/65/21/97/597652197.db2.gz LBRDPEKYXXELFN-UHFFFAOYSA-N -1 1 316.269 2.180 20 5 DEBDMM O=[N+]([O-])c1cnc(Sc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738374966 599321649 /nfs/dbraw/zinc/32/16/49/599321649.db2.gz VLDGXSIVYOCOOY-UHFFFAOYSA-N -1 1 300.303 2.321 20 5 DEBDMM CC(C)COCCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000824272515 607449146 /nfs/dbraw/zinc/44/91/46/607449146.db2.gz ZJBCPZACRDOZME-UHFFFAOYSA-N -1 1 320.353 2.250 20 5 DEBDMM CC(C)COCCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000824272515 607449147 /nfs/dbraw/zinc/44/91/47/607449147.db2.gz ZJBCPZACRDOZME-UHFFFAOYSA-N -1 1 320.353 2.250 20 5 DEBDMM O=[N+]([O-])c1ccc(NCCc2ccccc2)cc1-c1nnn[n-]1 ZINC000826499002 607449361 /nfs/dbraw/zinc/44/93/61/607449361.db2.gz RJXJUVOHIDXXAK-UHFFFAOYSA-N -1 1 310.317 2.430 20 5 DEBDMM O=[N+]([O-])c1ccc(NCCc2ccccc2)cc1-c1nn[n-]n1 ZINC000826499002 607449363 /nfs/dbraw/zinc/44/93/63/607449363.db2.gz RJXJUVOHIDXXAK-UHFFFAOYSA-N -1 1 310.317 2.430 20 5 DEBDMM Cc1nn(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000833016840 602200717 /nfs/dbraw/zinc/20/07/17/602200717.db2.gz KBUFYLJMXNTQMJ-OAHLLOKOSA-N -1 1 318.333 2.007 20 5 DEBDMM O=C([O-])N1CC[C@H](N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000834084803 605779402 /nfs/dbraw/zinc/77/94/02/605779402.db2.gz PBLVMYPOVRTJPC-AWEZNQCLSA-N -1 1 305.334 2.312 20 5 DEBDMM C[C@@H]1CCC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@H]1C ZINC000820698648 607160815 /nfs/dbraw/zinc/16/08/15/607160815.db2.gz VKTPWQLDAKHSGI-YWVKMMECSA-N -1 1 317.353 2.407 20 5 DEBDMM C[C@@H]1CCC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@H]1C ZINC000820698648 607160817 /nfs/dbraw/zinc/16/08/17/607160817.db2.gz VKTPWQLDAKHSGI-YWVKMMECSA-N -1 1 317.353 2.407 20 5 DEBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2c[nH]cn2)c2ccccc21 ZINC000757360755 639778646 /nfs/dbraw/zinc/77/86/46/639778646.db2.gz KMPTUAKXDDZDFC-UHFFFAOYSA-N -1 1 319.298 2.239 20 5 DEBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2c[n-]cn2)c2ccccc21 ZINC000757360755 639778648 /nfs/dbraw/zinc/77/86/48/639778648.db2.gz KMPTUAKXDDZDFC-UHFFFAOYSA-N -1 1 319.298 2.239 20 5 DEBDMM C[C@H](O[N-]C(=O)CC(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000842060339 650638933 /nfs/dbraw/zinc/63/89/33/650638933.db2.gz HRNLKRADZPUHBI-JTQLQIEISA-N -1 1 323.349 2.406 20 5 DEBDMM CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075162 642582696 /nfs/dbraw/zinc/58/26/96/642582696.db2.gz MLWIGWWEXJFADJ-VHSXEESVSA-N -1 1 324.333 2.151 20 5 DEBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccoc1 ZINC000795587082 644602337 /nfs/dbraw/zinc/60/23/37/644602337.db2.gz JHNNEBSWMWDXMC-UHFFFAOYSA-N -1 1 300.267 2.436 20 5 DEBDMM CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814973796 646954134 /nfs/dbraw/zinc/95/41/34/646954134.db2.gz SYYBOVDTEPSYOK-UHFFFAOYSA-N -1 1 310.734 2.464 20 5 DEBDMM Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)s1 ZINC000033396634 648031765 /nfs/dbraw/zinc/03/17/65/648031765.db2.gz MQWBOLRVQVSRHM-UHFFFAOYSA-N -1 1 323.290 2.224 20 5 DEBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1ncn(C(C)C)n1 ZINC000846349312 651325243 /nfs/dbraw/zinc/32/52/43/651325243.db2.gz RYIZNTIGYXUVDN-UHFFFAOYSA-N -1 1 307.285 2.467 20 5 DEBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1noc2c1COCC2 ZINC000857863885 652190349 /nfs/dbraw/zinc/19/03/49/652190349.db2.gz CHRDAKYSKUOGFT-UHFFFAOYSA-N -1 1 321.264 2.355 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CC=CC2)cc1F ZINC000867555558 687729000 /nfs/dbraw/zinc/72/90/00/687729000.db2.gz LUCYXLJLOYXQBN-UHFFFAOYSA-N -1 1 314.338 2.287 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC12CC2 ZINC000867581928 687736609 /nfs/dbraw/zinc/73/66/09/687736609.db2.gz RHURWFMNHLNWJA-LLVKDONJSA-N -1 1 314.338 2.345 20 5 DEBDMM O=c1nc2nc[nH]c2c(Nc2nccc3c2cccc3[N+](=O)[O-])[n-]1 ZINC001170222405 786867578 /nfs/dbraw/zinc/86/75/78/786867578.db2.gz CDDKNMQCGFDJEU-UHFFFAOYSA-N -1 1 323.272 2.259 20 5 DEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](c2ncccn2)C1 ZINC001176524782 794447158 /nfs/dbraw/zinc/44/71/58/794447158.db2.gz UKZZPEDXNUKDHW-LLVKDONJSA-N -1 1 300.318 2.080 20 5 DEBDMM Cc1cc(C)cc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC001192884275 797466917 /nfs/dbraw/zinc/46/69/17/797466917.db2.gz IJUQEJMWKBCOEO-UHFFFAOYSA-N -1 1 321.358 2.085 20 5 DEBDMM COc1cccc2nn(-c3cc([O-])cc([N+](=O)[O-])c3)c(N)c21 ZINC001199801664 798541953 /nfs/dbraw/zinc/54/19/53/798541953.db2.gz GAPDEKOXVOAASW-UHFFFAOYSA-N -1 1 300.274 2.230 20 5 DEBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1N ZINC001211289877 801542979 /nfs/dbraw/zinc/54/29/79/801542979.db2.gz LYNNJUPKXDTGIT-UHFFFAOYSA-N -1 1 307.331 2.286 20 5 DEBDMM O=c1c2cc(OC3CC(O)C3)c([O-])cc2oc2cccc(O)c12 ZINC001218256429 802161229 /nfs/dbraw/zinc/16/12/29/802161229.db2.gz BHBCECHYMOTKNW-UHFFFAOYSA-N -1 1 314.293 2.260 20 5 DEBDMM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1[n-]c(=S)ncc1F)C2 ZINC001227384742 803235405 /nfs/dbraw/zinc/23/54/05/803235405.db2.gz DZKABAUKURDSNV-JTQLQIEISA-N -1 1 307.306 2.359 20 5 DEBDMM CCOC(=O)[C@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228861563 803422301 /nfs/dbraw/zinc/42/23/01/803422301.db2.gz FFHKLTOHHHULBU-YFKPBYRVSA-N -1 1 324.211 2.045 20 5 DEBDMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001589307734 953755537 /nfs/dbraw/zinc/75/55/37/953755537.db2.gz CLJCCFSUTYLKGM-NXEZZACHSA-N -1 1 319.317 2.421 20 5 DEBDMM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594216388 959334271 /nfs/dbraw/zinc/33/42/71/959334271.db2.gz ULHBBSDEAYBSBT-BXKDBHETSA-N -1 1 323.305 2.331 20 5 DEBDMM C[C@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccccc1[N+](=O)[O-] ZINC001599901292 984833840 /nfs/dbraw/zinc/83/38/40/984833840.db2.gz HSSCBFPYPPGVFT-JTQLQIEISA-N -1 1 303.318 2.482 20 5 DEBDMM Cc1cc(N2CCCSCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605697319 1070849089 /nfs/dbraw/zinc/84/90/89/1070849089.db2.gz AIJUYHLSRGIWAI-UHFFFAOYSA-N -1 1 320.378 2.027 20 5 DEBDMM Cc1cc(N2CCCSCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605697319 1070849118 /nfs/dbraw/zinc/84/91/18/1070849118.db2.gz AIJUYHLSRGIWAI-UHFFFAOYSA-N -1 1 320.378 2.027 20 5 DEBDMM Cc1cc(N[C@H](C)CCCCO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605722266 1070874662 /nfs/dbraw/zinc/87/46/62/1070874662.db2.gz ZWXFVFBTCQULPN-SNVBAGLBSA-N -1 1 320.353 2.046 20 5 DEBDMM Cc1cc(N[C@H](C)CCCCO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605722266 1070874679 /nfs/dbraw/zinc/87/46/79/1070874679.db2.gz ZWXFVFBTCQULPN-SNVBAGLBSA-N -1 1 320.353 2.046 20 5 DEBDMM Cc1nsc(Oc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC001606163353 1071057561 /nfs/dbraw/zinc/05/75/61/1071057561.db2.gz CXJLJOUAASYKLE-UHFFFAOYSA-N -1 1 304.291 2.332 20 5 DEBDMM Cc1nsc(Oc2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC001606163353 1071057572 /nfs/dbraw/zinc/05/75/72/1071057572.db2.gz CXJLJOUAASYKLE-UHFFFAOYSA-N -1 1 304.291 2.332 20 5 DEBDMM CSc1nccnc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC001351312393 1151515309 /nfs/dbraw/zinc/51/53/09/1151515309.db2.gz PTWOCPVJIDZRHL-UHFFFAOYSA-N -1 1 308.294 2.498 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC=C(Cl)C1 ZINC001607086458 1071293269 /nfs/dbraw/zinc/29/32/69/1071293269.db2.gz XQJHUKBXRVHSFZ-UHFFFAOYSA-N -1 1 312.742 2.169 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC=C(Cl)C1 ZINC001607086458 1071293280 /nfs/dbraw/zinc/29/32/80/1071293280.db2.gz XQJHUKBXRVHSFZ-UHFFFAOYSA-N -1 1 312.742 2.169 20 5 DEBDMM O=C(Nc1cc(-c2nc[nH]n2)ccc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC001467592294 1059667172 /nfs/dbraw/zinc/66/71/72/1059667172.db2.gz MLMBXOVUUGILNJ-UHFFFAOYSA-N -1 1 316.252 2.099 20 5 DEBDMM O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001469267699 1059926616 /nfs/dbraw/zinc/92/66/16/1059926616.db2.gz OAYZPAUDDSYJSC-SWLSCSKDSA-N -1 1 317.276 2.063 20 5 DEBDMM C[C@@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@@H]1C ZINC001472554797 1060536228 /nfs/dbraw/zinc/53/62/28/1060536228.db2.gz WUVKYAJTVCUHBM-MXWKQRLJSA-N -1 1 307.350 2.498 20 5 DEBDMM O=C([O-])CC1(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001610759025 1078073250 /nfs/dbraw/zinc/07/32/50/1078073250.db2.gz AFZAWRFMEUYRHK-UHFFFAOYSA-N -1 1 317.301 2.347 20 5 DEBDMM CCOC(=O)c1nc([C@@H](C)Nc2c(F)cccc2[N+](=O)[O-])n[n-]1 ZINC001612591823 1078112004 /nfs/dbraw/zinc/11/20/04/1078112004.db2.gz HVBYTGURVDOCGZ-SSDOTTSWSA-N -1 1 323.284 2.202 20 5 DEBDMM CCOC(=O)c1nnc([C@@H](C)Nc2c(F)cccc2[N+](=O)[O-])[n-]1 ZINC001612591823 1078112006 /nfs/dbraw/zinc/11/20/06/1078112006.db2.gz HVBYTGURVDOCGZ-SSDOTTSWSA-N -1 1 323.284 2.202 20 5 DEBDMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2c(F)cccc2[N+](=O)[O-])n1 ZINC001612591823 1078112008 /nfs/dbraw/zinc/11/20/08/1078112008.db2.gz HVBYTGURVDOCGZ-SSDOTTSWSA-N -1 1 323.284 2.202 20 5 DEBDMM Cc1cc(C=O)c([O-])c(C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC001624842816 1078231339 /nfs/dbraw/zinc/23/13/39/1078231339.db2.gz XBNBPPPCBBLJLX-UHFFFAOYSA-N -1 1 314.297 2.351 20 5 DEBDMM COc1ccc(CNC(=O)c2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC001626322801 1078253319 /nfs/dbraw/zinc/25/33/19/1078253319.db2.gz FUJRIARGVLGJBE-UHFFFAOYSA-N -1 1 320.276 2.378 20 5 DEBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc([O-])cc1F ZINC001628373472 1078296993 /nfs/dbraw/zinc/29/69/93/1078296993.db2.gz ZBSQBPJKYQLJTP-UHFFFAOYSA-N -1 1 320.276 2.248 20 5 DEBDMM O=C(Nc1cccc(F)c1[O-])c1[nH]nc([N+](=O)[O-])c1Cl ZINC001632182701 1078379933 /nfs/dbraw/zinc/37/99/33/1078379933.db2.gz NAPIGXPXYUKLGB-UHFFFAOYSA-N -1 1 300.633 2.068 20 5 DEBDMM O=c1[nH]ccc(NCCc2nc3ccc(F)cc3[nH]2)c1[N+](=O)[O-] ZINC001642374217 1078751761 /nfs/dbraw/zinc/75/17/61/1078751761.db2.gz OVBDZRRRIKXVMC-UHFFFAOYSA-N -1 1 317.280 2.365 20 5 DEBDMM O=C(Nc1ccccc1[C@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])[n-]1 ZINC001647994829 1074985666 /nfs/dbraw/zinc/98/56/66/1074985666.db2.gz SRUFPHDPTAJPTQ-LLVKDONJSA-N -1 1 314.301 2.126 20 5 DEBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Oc1cccnc1F ZINC001582803657 1076185259 /nfs/dbraw/zinc/18/52/59/1076185259.db2.gz PILRFQQYFLPSCR-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCc2ccccc2C1 ZINC001582802502 1076185371 /nfs/dbraw/zinc/18/53/71/1076185371.db2.gz XCTXQJAWWZJAGN-UHFFFAOYSA-N -1 1 322.328 2.338 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCc2ccccc2C1 ZINC001582802502 1076185376 /nfs/dbraw/zinc/18/53/76/1076185376.db2.gz XCTXQJAWWZJAGN-UHFFFAOYSA-N -1 1 322.328 2.338 20 5 DEBDMM CC(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001589509777 1076494789 /nfs/dbraw/zinc/49/47/89/1076494789.db2.gz VJHNFRQVNFPHEX-JTQLQIEISA-N -1 1 302.338 2.257 20 5 DEBDMM C[C@H](Cc1ccco1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589902491 1076527645 /nfs/dbraw/zinc/52/76/45/1076527645.db2.gz GFXLJBMZZGTATE-SSDOTTSWSA-N -1 1 320.334 2.473 20 5 DEBDMM C[C@H](Cc1ccco1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589902491 1076527647 /nfs/dbraw/zinc/52/76/47/1076527647.db2.gz GFXLJBMZZGTATE-SSDOTTSWSA-N -1 1 320.334 2.473 20 5 DEBDMM CC1(C)C[C@@]1(C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590087825 1076558992 /nfs/dbraw/zinc/55/89/92/1076558992.db2.gz ZBTSLZONBGWPAL-ZDUSSCGKSA-N -1 1 303.326 2.018 20 5 DEBDMM CC1(C)C[C@@]1(C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590087825 1076558995 /nfs/dbraw/zinc/55/89/95/1076558995.db2.gz ZBTSLZONBGWPAL-ZDUSSCGKSA-N -1 1 303.326 2.018 20 5 DEBDMM C[C@]1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCCS1 ZINC001590133807 1076570567 /nfs/dbraw/zinc/57/05/67/1076570567.db2.gz GYMYTZCJOJWEHN-CYBMUJFWSA-N -1 1 320.378 2.473 20 5 DEBDMM CC1=C[C@@H](C)CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001590158061 1076575741 /nfs/dbraw/zinc/57/57/41/1076575741.db2.gz UIOMVPROWZVUAQ-SECBINFHSA-N -1 1 300.322 2.177 20 5 DEBDMM C[C@@H]1CC(C)(C)CN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590189435 1076579404 /nfs/dbraw/zinc/57/94/04/1076579404.db2.gz CNAMMDXRAUJTRO-SSDOTTSWSA-N -1 1 308.367 2.461 20 5 DEBDMM C[C@@H]1CC(C)(C)CN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590189435 1076579408 /nfs/dbraw/zinc/57/94/08/1076579408.db2.gz CNAMMDXRAUJTRO-SSDOTTSWSA-N -1 1 308.367 2.461 20 5 DEBDMM C[C@@H]1C[C@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001590191652 1076580127 /nfs/dbraw/zinc/58/01/27/1076580127.db2.gz GVJVKEDSAINGLS-NXEZZACHSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@H]1C[C@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001590191652 1076580129 /nfs/dbraw/zinc/58/01/29/1076580129.db2.gz GVJVKEDSAINGLS-NXEZZACHSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@H]1CCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590246749 1076599002 /nfs/dbraw/zinc/59/90/02/1076599002.db2.gz FTPSVQNGAPUNBZ-IUCAKERBSA-N -1 1 303.326 2.018 20 5 DEBDMM C[C@H]1CCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590246749 1076599005 /nfs/dbraw/zinc/59/90/05/1076599005.db2.gz FTPSVQNGAPUNBZ-IUCAKERBSA-N -1 1 303.326 2.018 20 5 DEBDMM COC(C)(C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591316506 1076720704 /nfs/dbraw/zinc/72/07/04/1076720704.db2.gz LHSOPAQQAAUIKM-SECBINFHSA-N -1 1 320.353 2.390 20 5 DEBDMM COC(C)(C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591316506 1076720706 /nfs/dbraw/zinc/72/07/06/1076720706.db2.gz LHSOPAQQAAUIKM-SECBINFHSA-N -1 1 320.353 2.390 20 5 DEBDMM Cc1cc(N[C@@H]2CSC2(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592040489 1076836485 /nfs/dbraw/zinc/83/64/85/1076836485.db2.gz ZHDZMMXYXAQHHL-SNVBAGLBSA-N -1 1 320.378 2.389 20 5 DEBDMM Cc1cc(N[C@@H]2CSC2(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592040489 1076836491 /nfs/dbraw/zinc/83/64/91/1076836491.db2.gz ZHDZMMXYXAQHHL-SNVBAGLBSA-N -1 1 320.378 2.389 20 5 DEBDMM Cc1cccc(OCc2ccc(-c3nnn[n-]3)o2)c1[N+](=O)[O-] ZINC001592238877 1076880971 /nfs/dbraw/zinc/88/09/71/1076880971.db2.gz PZUDJMAPWXAOKP-UHFFFAOYSA-N -1 1 301.262 2.255 20 5 DEBDMM Cc1cccc(OCc2ccc(-c3nn[n-]n3)o2)c1[N+](=O)[O-] ZINC001592238877 1076880975 /nfs/dbraw/zinc/88/09/75/1076880975.db2.gz PZUDJMAPWXAOKP-UHFFFAOYSA-N -1 1 301.262 2.255 20 5 DEBDMM Cc1ncc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)s1 ZINC001592410332 1076910557 /nfs/dbraw/zinc/91/05/57/1076910557.db2.gz KERHMZOEMFKGDC-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCCSC2)cc1-c1nnn[n-]1 ZINC001593478036 1077007795 /nfs/dbraw/zinc/00/77/95/1077007795.db2.gz PLHDKILFAQNQEP-SECBINFHSA-N -1 1 306.351 2.082 20 5 DEBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCCSC2)cc1-c1nn[n-]n1 ZINC001593478036 1077007798 /nfs/dbraw/zinc/00/77/98/1077007798.db2.gz PLHDKILFAQNQEP-SECBINFHSA-N -1 1 306.351 2.082 20 5 DEBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCC(F)(F)C2)cc1-c1nnn[n-]1 ZINC001593477955 1077008971 /nfs/dbraw/zinc/00/89/71/1077008971.db2.gz MAPOSHHEGDOLKR-MRVPVSSYSA-N -1 1 310.264 2.375 20 5 DEBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCC(F)(F)C2)cc1-c1nn[n-]n1 ZINC001593477955 1077008976 /nfs/dbraw/zinc/00/89/76/1077008976.db2.gz MAPOSHHEGDOLKR-MRVPVSSYSA-N -1 1 310.264 2.375 20 5 DEBDMM CC[C@]1(C)CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609196447 1077793008 /nfs/dbraw/zinc/79/30/08/1077793008.db2.gz JZQVMDGQHBYKRD-CQSZACIVSA-N -1 1 302.338 2.401 20 5 DEBDMM CC[C@]1(C)CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609196447 1077793014 /nfs/dbraw/zinc/79/30/14/1077793014.db2.gz JZQVMDGQHBYKRD-CQSZACIVSA-N -1 1 302.338 2.401 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001652972224 1079907327 /nfs/dbraw/zinc/90/73/27/1079907327.db2.gz FNNDXWSIFOHCCG-STQMWFEESA-N -1 1 317.345 2.346 20 5 DEBDMM O=C([N-]c1cc(-c2cccs2)on1)c1c[nH]nc1[N+](=O)[O-] ZINC001648900328 1082119506 /nfs/dbraw/zinc/11/95/06/1082119506.db2.gz SFBJWJJNUKPGLL-UHFFFAOYSA-N -1 1 305.275 2.287 20 5 DEBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC[C@@H]1CCO1 ZINC001234876768 1084224986 /nfs/dbraw/zinc/22/49/86/1084224986.db2.gz KEMUZYYLPXNZJP-ZETCQYMHSA-N -1 1 304.096 2.231 20 5 DEBDMM COc1cc(OC)cc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1 ZINC001212893131 1087755977 /nfs/dbraw/zinc/75/59/77/1087755977.db2.gz NORDZQOXVMAARV-UHFFFAOYSA-N -1 1 317.261 2.052 20 5 DEBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc([O-])cn1 ZINC001296879242 1139829025 /nfs/dbraw/zinc/82/90/25/1139829025.db2.gz ZHGBOTLAEUAHHG-UHFFFAOYSA-N -1 1 301.302 2.010 20 5 DEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001317737733 1147748426 /nfs/dbraw/zinc/74/84/26/1147748426.db2.gz IISCNVWXSUBBJO-GHMZBOCLSA-N -1 1 305.334 2.348 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](F)C1 ZINC001326321237 1148076564 /nfs/dbraw/zinc/07/65/64/1148076564.db2.gz YQORFQHMKVSUEH-DTWKUNHWSA-N -1 1 320.317 2.293 20 5 DEBDMM CCc1cc(=O)[n-]c(SCCOc2ccccc2[N+](=O)[O-])n1 ZINC000188100270 529506842 /nfs/dbraw/zinc/50/68/42/529506842.db2.gz VYHNXPQOEGVJNQ-UHFFFAOYSA-N -1 1 321.358 2.412 20 5 DEBDMM O=[N+]([O-])c1ccc(-c2nc([C@H]3COc4ccccc4O3)no2)[n-]1 ZINC000350883487 356582392 /nfs/dbraw/zinc/58/23/92/356582392.db2.gz SAOXHROSXCTNGK-LLVKDONJSA-N -1 1 314.257 2.485 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000597694811 358980632 /nfs/dbraw/zinc/98/06/32/358980632.db2.gz XNEPECIFNZVFQH-UHFFFAOYSA-N -1 1 304.306 2.248 20 5 DEBDMM Cc1ccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C ZINC000598143183 359107686 /nfs/dbraw/zinc/10/76/86/359107686.db2.gz HPXOKUFNCDNPTD-UHFFFAOYSA-N -1 1 315.329 2.285 20 5 DEBDMM Cc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000598761819 359319648 /nfs/dbraw/zinc/31/96/48/359319648.db2.gz LMIZXAPIAJMFRJ-UHFFFAOYSA-N -1 1 313.313 2.202 20 5 DEBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000188425388 200244038 /nfs/dbraw/zinc/24/40/38/200244038.db2.gz XKJTYDLEZOYMMR-VIFPVBQESA-N -1 1 322.346 2.341 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCSC1 ZINC000266323809 205267110 /nfs/dbraw/zinc/26/71/10/205267110.db2.gz RRKGWXUKEAMPSJ-QMMMGPOBSA-N -1 1 322.795 2.032 20 5 DEBDMM 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DEBDMM COC(C)(C)[C@@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604996034 1070560184 /nfs/dbraw/zinc/56/01/84/1070560184.db2.gz QVPRWJNEXZQQQO-ZCFIWIBFSA-N -1 1 312.355 2.062 20 5 DEBDMM Cc1cc(N2CCC[C@@H](CF)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605695049 1070851891 /nfs/dbraw/zinc/85/18/91/1070851891.db2.gz LNZMCCCWHDBGKF-JTQLQIEISA-N -1 1 320.328 2.269 20 5 DEBDMM Cc1cc(N2CCC[C@@H](CF)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605695049 1070851920 /nfs/dbraw/zinc/85/19/20/1070851920.db2.gz LNZMCCCWHDBGKF-JTQLQIEISA-N -1 1 320.328 2.269 20 5 DEBDMM O=[N+]([O-])c1ccc(Oc2cccc(-c3nnn[n-]3)n2)c(F)c1F ZINC001607083574 1071292586 /nfs/dbraw/zinc/29/25/86/1071292586.db2.gz KYSJMOLFJMTTRG-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM O=[N+]([O-])c1ccc(Oc2cccc(-c3nn[n-]n3)n2)c(F)c1F ZINC001607083574 1071292589 /nfs/dbraw/zinc/29/25/89/1071292589.db2.gz KYSJMOLFJMTTRG-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1c[n-][nH]c1=O ZINC001457829740 1058030161 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ZINC001603955646 1070158168 /nfs/dbraw/zinc/15/81/68/1070158168.db2.gz LIXPZSUXOGBKQI-APPZFPTMSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@H]1SCC[C@@H]1Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603955646 1070158170 /nfs/dbraw/zinc/15/81/70/1070158170.db2.gz LIXPZSUXOGBKQI-APPZFPTMSA-N -1 1 306.351 2.081 20 5 DEBDMM CCCC[C@H](COC)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604166427 1070260475 /nfs/dbraw/zinc/26/04/75/1070260475.db2.gz CXLSYPBXJNOAOX-LLVKDONJSA-N -1 1 320.353 2.392 20 5 DEBDMM CCOC1CC(N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001605600227 1070775691 /nfs/dbraw/zinc/77/56/91/1070775691.db2.gz OXQSCWRIFVDQFH-UHFFFAOYSA-N -1 1 308.334 2.292 20 5 DEBDMM CN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001606229861 1071090539 /nfs/dbraw/zinc/09/05/39/1071090539.db2.gz IJQQAZDKZRQDQH-QMMMGPOBSA-N -1 1 313.741 2.453 20 5 DEBDMM CC(C)n1nnc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC001538229794 1072333149 /nfs/dbraw/zinc/33/31/49/1072333149.db2.gz IWKQJTMVBLVUMX-UHFFFAOYSA-N -1 1 310.701 2.068 20 5 DEBDMM CCOC(=O)c1nc([C@H](C)Nc2c(F)cccc2[N+](=O)[O-])n[n-]1 ZINC001612591824 1078112190 /nfs/dbraw/zinc/11/21/90/1078112190.db2.gz HVBYTGURVDOCGZ-ZETCQYMHSA-N -1 1 323.284 2.202 20 5 DEBDMM CCOC(=O)c1nnc([C@H](C)Nc2c(F)cccc2[N+](=O)[O-])[n-]1 ZINC001612591824 1078112191 /nfs/dbraw/zinc/11/21/91/1078112191.db2.gz HVBYTGURVDOCGZ-ZETCQYMHSA-N -1 1 323.284 2.202 20 5 DEBDMM CCOC(=O)c1n[n-]c([C@H](C)Nc2c(F)cccc2[N+](=O)[O-])n1 ZINC001612591824 1078112193 /nfs/dbraw/zinc/11/21/93/1078112193.db2.gz HVBYTGURVDOCGZ-ZETCQYMHSA-N -1 1 323.284 2.202 20 5 DEBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(F)F ZINC001632234549 1078380685 /nfs/dbraw/zinc/38/06/85/1078380685.db2.gz OVGVNVVJRWUSPC-UHFFFAOYSA-N -1 1 303.265 2.107 20 5 DEBDMM C/C(=C\Cl)CSc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001588767510 1076463100 /nfs/dbraw/zinc/46/31/00/1076463100.db2.gz ACOJYWHNMLOBEM-GQCTYLIASA-N -1 1 312.742 2.405 20 5 DEBDMM C/C(=C\Cl)CSc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001588767510 1076463101 /nfs/dbraw/zinc/46/31/01/1076463101.db2.gz ACOJYWHNMLOBEM-GQCTYLIASA-N -1 1 312.742 2.405 20 5 DEBDMM CC(C)[C@@]1(C)C[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589490675 1076492741 /nfs/dbraw/zinc/49/27/41/1076492741.db2.gz MSIHJYXBMVJGIK-SMDDNHRTSA-N -1 1 317.353 2.204 20 5 DEBDMM CC(C)[C@@]1(C)C[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589490675 1076492742 /nfs/dbraw/zinc/49/27/42/1076492742.db2.gz MSIHJYXBMVJGIK-SMDDNHRTSA-N -1 1 317.353 2.204 20 5 DEBDMM CC(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001589509779 1076494838 /nfs/dbraw/zinc/49/48/38/1076494838.db2.gz VJHNFRQVNFPHEX-SNVBAGLBSA-N -1 1 302.338 2.257 20 5 DEBDMM CC1(CC(F)F)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590123452 1076569383 /nfs/dbraw/zinc/56/93/83/1076569383.db2.gz NSIALJKKBLSUOP-UHFFFAOYSA-N -1 1 324.291 2.256 20 5 DEBDMM CC1(CC(F)F)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590123452 1076569385 /nfs/dbraw/zinc/56/93/85/1076569385.db2.gz NSIALJKKBLSUOP-UHFFFAOYSA-N -1 1 324.291 2.256 20 5 DEBDMM C[C@]1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC001590134976 1076572014 /nfs/dbraw/zinc/57/20/14/1076572014.db2.gz GLGFZLSTKRMERB-QRJZZWFUSA-N -1 1 315.337 2.018 20 5 DEBDMM C[C@]1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC001590134976 1076572019 /nfs/dbraw/zinc/57/20/19/1076572019.db2.gz GLGFZLSTKRMERB-QRJZZWFUSA-N -1 1 315.337 2.018 20 5 DEBDMM C[C@@H]1C[C@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@@H](C)O1 ZINC001590192752 1076581408 /nfs/dbraw/zinc/58/14/08/1076581408.db2.gz FQZUZAXFNBOJQO-BWZBUEFSSA-N -1 1 324.366 2.062 20 5 DEBDMM C[C@@H]1C[C@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@@H](C)O1 ZINC001590192752 1076581413 /nfs/dbraw/zinc/58/14/13/1076581413.db2.gz FQZUZAXFNBOJQO-BWZBUEFSSA-N -1 1 324.366 2.062 20 5 DEBDMM C[C@@H]1CCC[C@@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])O1 ZINC001590245115 1076596857 /nfs/dbraw/zinc/59/68/57/1076596857.db2.gz WZYOMZVUMXBTEL-ZJUUUORDSA-N -1 1 318.337 2.144 20 5 DEBDMM C[C@@H]1CCC[C@@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])O1 ZINC001590245115 1076596862 /nfs/dbraw/zinc/59/68/62/1076596862.db2.gz WZYOMZVUMXBTEL-ZJUUUORDSA-N -1 1 318.337 2.144 20 5 DEBDMM C[C@H]1CCSCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590278522 1076606799 /nfs/dbraw/zinc/60/67/99/1076606799.db2.gz RMPWOXQSYQBFEC-VIFPVBQESA-N -1 1 320.378 2.107 20 5 DEBDMM CC[C@@](C)(CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)OC ZINC001590382854 1076618516 /nfs/dbraw/zinc/61/85/16/1076618516.db2.gz WBIBXPBAFMCHJE-AWEZNQCLSA-N -1 1 320.353 2.310 20 5 DEBDMM CC[C@@](C)(CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)OC ZINC001590382854 1076618517 /nfs/dbraw/zinc/61/85/17/1076618517.db2.gz WBIBXPBAFMCHJE-AWEZNQCLSA-N -1 1 320.353 2.310 20 5 DEBDMM CC[C@H](C[C@H](C)O)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590421846 1076625548 /nfs/dbraw/zinc/62/55/48/1076625548.db2.gz OOYINEDMCCLUFM-VHSXEESVSA-N -1 1 320.353 2.045 20 5 DEBDMM CC[C@H](C[C@H](C)O)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590421846 1076625552 /nfs/dbraw/zinc/62/55/52/1076625552.db2.gz OOYINEDMCCLUFM-VHSXEESVSA-N -1 1 320.353 2.045 20 5 DEBDMM CN(C[C@H]1CC1(C)C)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591053566 1076704868 /nfs/dbraw/zinc/70/48/68/1076704868.db2.gz NSDULSNDXBHJGT-SECBINFHSA-N -1 1 302.338 2.257 20 5 DEBDMM CN(C[C@H]1CC1(C)C)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591053566 1076704871 /nfs/dbraw/zinc/70/48/71/1076704871.db2.gz NSDULSNDXBHJGT-SECBINFHSA-N -1 1 302.338 2.257 20 5 DEBDMM CN(Cc1ccco1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591149716 1076714313 /nfs/dbraw/zinc/71/43/13/1076714313.db2.gz ZYHFUABMPVKGRP-UHFFFAOYSA-N -1 1 300.278 2.004 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCCC1CC1 ZINC001593465509 1077005929 /nfs/dbraw/zinc/00/59/29/1077005929.db2.gz QTOQXBUNGPGNCF-UHFFFAOYSA-N -1 1 303.326 2.162 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCCC1CC1 ZINC001593465509 1077005926 /nfs/dbraw/zinc/00/59/26/1077005926.db2.gz QTOQXBUNGPGNCF-UHFFFAOYSA-N -1 1 303.326 2.162 20 5 DEBDMM O=[N+]([O-])c1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001593478408 1077009438 /nfs/dbraw/zinc/00/94/38/1077009438.db2.gz FQIKNOVZWZMEQV-UHFFFAOYSA-N -1 1 302.319 2.449 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1ccccc1 ZINC001593488503 1077011441 /nfs/dbraw/zinc/01/14/41/1077011441.db2.gz HFLGDCMKKUHBQJ-UHFFFAOYSA-N -1 1 302.319 2.449 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1ccccc1 ZINC001593488503 1077011445 /nfs/dbraw/zinc/01/14/45/1077011445.db2.gz HFLGDCMKKUHBQJ-UHFFFAOYSA-N -1 1 302.319 2.449 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC(C2CC2)CC1 ZINC001593488117 1077011761 /nfs/dbraw/zinc/01/17/61/1077011761.db2.gz PCQQJZVAPRNMHA-UHFFFAOYSA-N -1 1 320.378 2.463 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC(C2CC2)CC1 ZINC001593488117 1077011765 /nfs/dbraw/zinc/01/17/65/1077011765.db2.gz PCQQJZVAPRNMHA-UHFFFAOYSA-N -1 1 320.378 2.463 20 5 DEBDMM O=C([O-])COc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC001608759679 1077689519 /nfs/dbraw/zinc/68/95/19/1077689519.db2.gz VEZGTFQGJVYMOU-STQMWFEESA-N -1 1 320.345 2.433 20 5 DEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCCC[C@]23CCOC3)c1 ZINC001608914414 1077720142 /nfs/dbraw/zinc/72/01/42/1077720142.db2.gz PIXHPWGZIOUGAZ-MRXNPFEDSA-N -1 1 320.345 2.438 20 5 DEBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccnc1 ZINC001609126361 1077767606 /nfs/dbraw/zinc/76/76/06/1077767606.db2.gz QALZKUYIQJAPKY-VIFPVBQESA-N -1 1 311.305 2.343 20 5 DEBDMM O=[N+]([O-])c1cc(N[C@H]2CCC[C@@H]3C[C@@H]32)ccc1-c1nn[n-]n1 ZINC001609600800 1077881173 /nfs/dbraw/zinc/88/11/73/1077881173.db2.gz DVWGUJCZMMGYRB-ZHAHWJHGSA-N -1 1 300.322 2.375 20 5 DEBDMM C[C@](CC(=O)[O-])(NCc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC001609731253 1077911986 /nfs/dbraw/zinc/91/19/86/1077911986.db2.gz WCLLORRNMASQMP-MRXNPFEDSA-N -1 1 315.329 2.470 20 5 DEBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]n1ccccc1=O ZINC001650912578 1079779800 /nfs/dbraw/zinc/77/98/00/1079779800.db2.gz RKJIHVNAIPWSQI-UHFFFAOYSA-N -1 1 319.342 2.252 20 5 DEBDMM O=C(NCC1(C2CCC2)CCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001651066419 1079788003 /nfs/dbraw/zinc/78/80/03/1079788003.db2.gz GZHHECJAGFDTQG-UHFFFAOYSA-N -1 1 305.334 2.396 20 5 DEBDMM CCOC(=O)c1nc([C@H](C)Nc2cc(C)ccc2[N+](=O)[O-])n[n-]1 ZINC001652030403 1079847998 /nfs/dbraw/zinc/84/79/98/1079847998.db2.gz VWOVMQOPFDXTSJ-VIFPVBQESA-N -1 1 319.321 2.371 20 5 DEBDMM CCOC(=O)c1nnc([C@H](C)Nc2cc(C)ccc2[N+](=O)[O-])[n-]1 ZINC001652030403 1079848002 /nfs/dbraw/zinc/84/80/02/1079848002.db2.gz VWOVMQOPFDXTSJ-VIFPVBQESA-N -1 1 319.321 2.371 20 5 DEBDMM CCOC(=O)c1n[n-]c([C@H](C)Nc2cc(C)ccc2[N+](=O)[O-])n1 ZINC001652030403 1079848007 /nfs/dbraw/zinc/84/80/07/1079848007.db2.gz VWOVMQOPFDXTSJ-VIFPVBQESA-N -1 1 319.321 2.371 20 5 DEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(-n3ccnc3)cc2)no1 ZINC001212893080 1087756163 /nfs/dbraw/zinc/75/61/63/1087756163.db2.gz LOHQQIKZGNAXTH-UHFFFAOYSA-N -1 1 323.272 2.221 20 5 DEBDMM CCc1cc(=O)[n-]c(SCCOc2cccc([N+](=O)[O-])c2)n1 ZINC000188100175 529506856 /nfs/dbraw/zinc/50/68/56/529506856.db2.gz XKPFDHZJACWBCZ-UHFFFAOYSA-N -1 1 321.358 2.412 20 5 DEBDMM CCc1cc(=O)[n-]c(SCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000195061114 529507106 /nfs/dbraw/zinc/50/71/06/529507106.db2.gz DSTADLYRZREMGR-UHFFFAOYSA-N -1 1 321.358 2.412 20 5 DEBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc([O-])c(F)c1 ZINC000613517915 362135925 /nfs/dbraw/zinc/13/59/25/362135925.db2.gz XNEZGTOADGPNQG-UHFFFAOYSA-N -1 1 304.277 2.412 20 5 DEBDMM CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nn[n-]n1 ZINC000176787578 198623168 /nfs/dbraw/zinc/62/31/68/198623168.db2.gz PSRABHQPNPHTOE-JTQLQIEISA-N -1 1 324.728 2.033 20 5 DEBDMM O=C([O-])CC1(CC(=O)Nc2ccc([N+](=O)[O-])cc2O)CCC1 ZINC000591531248 357733501 /nfs/dbraw/zinc/73/35/01/357733501.db2.gz JJDWMDKKTLDJMA-UHFFFAOYSA-N -1 1 308.290 2.274 20 5 DEBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1C ZINC000598733387 359308051 /nfs/dbraw/zinc/30/80/51/359308051.db2.gz BNXDSHONXGHXKI-UHFFFAOYSA-N -1 1 324.362 2.352 20 5 DEBDMM C[C@H](CCc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186773222 200008465 /nfs/dbraw/zinc/00/84/65/200008465.db2.gz DIRWSEZUBZAQCV-LLVKDONJSA-N -1 1 315.329 2.447 20 5 DEBDMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187165841 200071191 /nfs/dbraw/zinc/07/11/91/200071191.db2.gz CRSACKUNRFANTE-GXSJLCMTSA-N -1 1 311.363 2.099 20 5 DEBDMM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610352901 361388676 /nfs/dbraw/zinc/38/86/76/361388676.db2.gz OPSDMILHNOUYRB-CJNGLKHVSA-N -1 1 313.313 2.155 20 5 DEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c(F)c1 ZINC000610785229 361466705 /nfs/dbraw/zinc/46/67/05/361466705.db2.gz ACPDRGUJWSAFIX-SSDOTTSWSA-N -1 1 324.280 2.200 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(CCCC2)CC1 ZINC000278228077 214035919 /nfs/dbraw/zinc/03/59/19/214035919.db2.gz SWJRSVTTWKJCAP-UHFFFAOYSA-N -1 1 305.334 2.492 20 5 DEBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000021519442 182277650 /nfs/dbraw/zinc/27/76/50/182277650.db2.gz XXJNEYLWZWPVIX-UHFFFAOYSA-N -1 1 308.315 2.410 20 5 DEBDMM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340638549 132120177 /nfs/dbraw/zinc/12/01/77/132120177.db2.gz NTQASZCRLBAJDC-UHFFFAOYSA-N -1 1 302.290 2.442 20 5 DEBDMM COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000353795760 133002590 /nfs/dbraw/zinc/00/25/90/133002590.db2.gz FUDVFZMPUQJLNQ-VIFPVBQESA-N -1 1 317.301 2.195 20 5 DEBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1c(F)cccc1F ZINC000353826631 133004430 /nfs/dbraw/zinc/00/44/30/133004430.db2.gz MQMLPYGXZDMHNK-SSDOTTSWSA-N -1 1 323.255 2.465 20 5 DEBDMM Cc1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1F ZINC000186822218 144990055 /nfs/dbraw/zinc/99/00/55/144990055.db2.gz LBQYMPOUYRLGSQ-UHFFFAOYSA-N -1 1 305.265 2.073 20 5 DEBDMM CSC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000076302547 401789855 /nfs/dbraw/zinc/78/98/55/401789855.db2.gz WLWATHUGPVYHCI-ZETCQYMHSA-N -1 1 324.811 2.278 20 5 DEBDMM 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CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(F)F ZINC000451081821 406043022 /nfs/dbraw/zinc/04/30/22/406043022.db2.gz LDLCAWQLPARTTG-ZCFIWIBFSA-N -1 1 314.335 2.287 20 5 DEBDMM CC1(C)CCC[N@@H+](CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000571449573 406522382 /nfs/dbraw/zinc/52/23/82/406522382.db2.gz VGNZGBWETTUZFM-UHFFFAOYSA-N -1 1 322.365 2.222 20 5 DEBDMM CSC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000129145751 196023739 /nfs/dbraw/zinc/02/37/39/196023739.db2.gz FROIUTCRCORWLW-SSDOTTSWSA-N -1 1 324.811 2.278 20 5 DEBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000132014207 196218874 /nfs/dbraw/zinc/21/88/74/196218874.db2.gz TWYJTVGYPXSNFY-RKDXNWHRSA-N -1 1 302.327 2.201 20 5 DEBDMM O=C([N-]c1nc2ccccn2n1)c1ccc([N+](=O)[O-])cc1F ZINC000611192084 422476055 /nfs/dbraw/zinc/47/60/55/422476055.db2.gz CHTPINUJBHXVOB-UHFFFAOYSA-N -1 1 301.237 2.029 20 5 DEBDMM CC(C)c1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000270719344 268686685 /nfs/dbraw/zinc/68/66/85/268686685.db2.gz HVNSVXBVEWPPLD-MRVPVSSYSA-N -1 1 319.321 2.033 20 5 DEBDMM O=C(NCc1cc2ccccc2o1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188197430 333039271 /nfs/dbraw/zinc/03/92/71/333039271.db2.gz VOMOIUSHKNUILT-UHFFFAOYSA-N -1 1 313.269 2.372 20 5 DEBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000294946157 529110097 /nfs/dbraw/zinc/11/00/97/529110097.db2.gz XPUYMSHUCLSQCF-WDEREUQCSA-N -1 1 305.334 2.346 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)nc2)c(-c2nnn[n-]2)c1 ZINC000823650769 607306156 /nfs/dbraw/zinc/30/61/56/607306156.db2.gz ACAMIGOYGSCSSM-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)nc2)c(-c2nn[n-]n2)c1 ZINC000823650769 607306157 /nfs/dbraw/zinc/30/61/57/607306157.db2.gz ACAMIGOYGSCSSM-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1ccc(NCc2cccs2)cc1-c1nnn[n-]1 ZINC000826498702 607449065 /nfs/dbraw/zinc/44/90/65/607449065.db2.gz GAXNLDJFKKWYET-UHFFFAOYSA-N -1 1 302.319 2.449 20 5 DEBDMM O=[N+]([O-])c1ccc(NCc2cccs2)cc1-c1nn[n-]n1 ZINC000826498702 607449067 /nfs/dbraw/zinc/44/90/67/607449067.db2.gz GAXNLDJFKKWYET-UHFFFAOYSA-N -1 1 302.319 2.449 20 5 DEBDMM Cc1nn(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000833017055 602195944 /nfs/dbraw/zinc/19/59/44/602195944.db2.gz UNUOJBKEWFKHJN-NSHDSACASA-N -1 1 318.333 2.007 20 5 DEBDMM Cc1nn(CN2CCC[C@H](C(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000833017055 602195947 /nfs/dbraw/zinc/19/59/47/602195947.db2.gz UNUOJBKEWFKHJN-NSHDSACASA-N -1 1 318.333 2.007 20 5 DEBDMM C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000820709651 606645575 /nfs/dbraw/zinc/64/55/75/606645575.db2.gz KSNJRQWHYASKDJ-SNVBAGLBSA-N -1 1 302.338 2.401 20 5 DEBDMM Cc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822238645 607161350 /nfs/dbraw/zinc/16/13/50/607161350.db2.gz PEHBMKVXXCQBTA-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822238645 607161352 /nfs/dbraw/zinc/16/13/52/607161352.db2.gz PEHBMKVXXCQBTA-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCc2ccccc21 ZINC000823621156 607165370 /nfs/dbraw/zinc/16/53/70/607165370.db2.gz XENUQEQAOCQJGY-LBPRGKRZSA-N -1 1 323.316 2.269 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCc2ccccc21 ZINC000823621156 607165371 /nfs/dbraw/zinc/16/53/71/607165371.db2.gz XENUQEQAOCQJGY-LBPRGKRZSA-N -1 1 323.316 2.269 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826498026 608405854 /nfs/dbraw/zinc/40/58/54/608405854.db2.gz DTZUBYITWYPSRS-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826498026 608405855 /nfs/dbraw/zinc/40/58/55/608405855.db2.gz DTZUBYITWYPSRS-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM CC(C)c1ncc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000122627871 625085011 /nfs/dbraw/zinc/08/50/11/625085011.db2.gz IRCRAKVCHCTVBF-UHFFFAOYSA-N -1 1 311.319 2.209 20 5 DEBDMM CC(C)c1nc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c[n-]1 ZINC000122627871 625085014 /nfs/dbraw/zinc/08/50/14/625085014.db2.gz IRCRAKVCHCTVBF-UHFFFAOYSA-N -1 1 311.319 2.209 20 5 DEBDMM Cc1cc(F)cc(C(=O)[N-]c2nc3n(n2)CCCC3)c1[N+](=O)[O-] ZINC000837195860 650174116 /nfs/dbraw/zinc/17/41/16/650174116.db2.gz VRYYLKGOARTGKW-UHFFFAOYSA-N -1 1 319.296 2.222 20 5 DEBDMM CCCCC[C@@H](C)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000772639201 641667966 /nfs/dbraw/zinc/66/79/66/641667966.db2.gz MCAQPRYGHNEEQD-SNVBAGLBSA-N -1 1 318.399 2.058 20 5 DEBDMM CC(C)(C)c1nnc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC000780071005 642580290 /nfs/dbraw/zinc/58/02/90/642580290.db2.gz BMRGOYMZSHFICQ-UHFFFAOYSA-N -1 1 321.289 2.338 20 5 DEBDMM Cc1cc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)[nH]1 ZINC000780076900 642582373 /nfs/dbraw/zinc/58/23/73/642582373.db2.gz YJKAWGVAXGHDCA-UHFFFAOYSA-N -1 1 318.285 2.285 20 5 DEBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000323687323 644012315 /nfs/dbraw/zinc/01/23/15/644012315.db2.gz GBFQHFQHPHJZNC-JTQLQIEISA-N -1 1 302.327 2.201 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]O[C@H]2CCCCO2)c1F ZINC000825026657 648687906 /nfs/dbraw/zinc/68/79/06/648687906.db2.gz KHNCEHIBDPTXEX-VIFPVBQESA-N -1 1 316.260 2.369 20 5 DEBDMM O=C(OCc1cc2n(n1)CCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000845135065 651208675 /nfs/dbraw/zinc/20/86/75/651208675.db2.gz AFILYVNTCMYBJG-UHFFFAOYSA-N -1 1 317.301 2.190 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000845999157 651300946 /nfs/dbraw/zinc/30/09/46/651300946.db2.gz UMWOLSXVABGRIS-UHFFFAOYSA-N -1 1 314.338 2.345 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC1CCC1 ZINC000123040440 684121638 /nfs/dbraw/zinc/12/16/38/684121638.db2.gz PSAUKKHHIWZSPT-UHFFFAOYSA-N -1 1 302.327 2.202 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000859275172 685696675 /nfs/dbraw/zinc/69/66/75/685696675.db2.gz BZQFTFPIXSHHIE-UHFFFAOYSA-N -1 1 316.766 2.493 20 5 DEBDMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931319292 694367091 /nfs/dbraw/zinc/36/70/91/694367091.db2.gz XZLIFRAWUKGYTN-HZSPNIEDSA-N -1 1 306.318 2.273 20 5 DEBDMM Cc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000748636670 788097804 /nfs/dbraw/zinc/09/78/04/788097804.db2.gz PJKJWSJSVSHDEV-UHFFFAOYSA-N -1 1 306.234 2.360 20 5 DEBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@H]2COc3cscc3O2)n1 ZINC001231263580 801621153 /nfs/dbraw/zinc/62/11/53/801621153.db2.gz LUQOIPMQEASJBZ-MRVPVSSYSA-N -1 1 324.314 2.284 20 5 DEBDMM C[C@@](NCc1cncc(F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593310059 994771602 /nfs/dbraw/zinc/77/16/02/994771602.db2.gz FZSRXUXVLCPSGY-HNNXBMFYSA-N -1 1 319.292 2.219 20 5 DEBDMM CC(C)C(=O)c1cnccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC001523444802 1069670803 /nfs/dbraw/zinc/67/08/03/1069670803.db2.gz SUNYFYQDDUKLNB-UHFFFAOYSA-N -1 1 303.274 2.096 20 5 DEBDMM C[C@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)CC(F)F ZINC001603553063 1069985904 /nfs/dbraw/zinc/98/59/04/1069985904.db2.gz LOJTVBJYQQKXQA-ZETCQYMHSA-N -1 1 312.280 2.478 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1cnc(-c2nnn[n-]2)cn1 ZINC001607081110 1071290986 /nfs/dbraw/zinc/29/09/86/1071290986.db2.gz CETROAULSMZERJ-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1cnc(-c2nn[n-]n2)cn1 ZINC001607081110 1071290993 /nfs/dbraw/zinc/29/09/93/1071290993.db2.gz CETROAULSMZERJ-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM CN(C)C(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(F)c1 ZINC001461888999 1058732221 /nfs/dbraw/zinc/73/22/21/1058732221.db2.gz JPRIKIFUQXLUEF-UHFFFAOYSA-N -1 1 321.264 2.281 20 5 DEBDMM C[C@H]1CC(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](C)C1 ZINC001472597746 1060550738 /nfs/dbraw/zinc/55/07/38/1060550738.db2.gz UOCKJKXOCZNGFF-NXEZZACHSA-N -1 1 307.350 2.498 20 5 DEBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc([O-])cn1 ZINC001623715700 1078207575 /nfs/dbraw/zinc/20/75/75/1078207575.db2.gz DOQMRYYMXSNKNJ-UHFFFAOYSA-N -1 1 301.302 2.010 20 5 DEBDMM CCc1[nH]nc(C(=O)Nc2cccc(C(C)=O)c2[O-])c1[N+](=O)[O-] ZINC001569927998 1065828039 /nfs/dbraw/zinc/82/80/39/1065828039.db2.gz JPWMRSSNLODXBQ-UHFFFAOYSA-N -1 1 318.289 2.041 20 5 DEBDMM CC[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@@H]1C ZINC001577162211 1066776572 /nfs/dbraw/zinc/77/65/72/1066776572.db2.gz VLRBXXUJVSUXFX-NXEZZACHSA-N -1 1 302.338 2.400 20 5 DEBDMM CC[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@@H]1C ZINC001577162211 1066776575 /nfs/dbraw/zinc/77/65/75/1066776575.db2.gz VLRBXXUJVSUXFX-NXEZZACHSA-N -1 1 302.338 2.400 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001636802194 1078490941 /nfs/dbraw/zinc/49/09/41/1078490941.db2.gz NDVCNIUNOZZFMC-UHFFFAOYSA-N -1 1 316.317 2.392 20 5 DEBDMM CC(C)(C)OC[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001637783893 1078532722 /nfs/dbraw/zinc/53/27/22/1078532722.db2.gz ORGMHZWGIAHUHW-NSHDSACASA-N -1 1 323.349 2.115 20 5 DEBDMM CCc1cc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC001543300621 1072488397 /nfs/dbraw/zinc/48/83/97/1072488397.db2.gz RCPRWNYZXBCWMA-UHFFFAOYSA-N -1 1 324.724 2.169 20 5 DEBDMM O=C(Nc1ccccc1[C@@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])[n-]1 ZINC001647994830 1074985489 /nfs/dbraw/zinc/98/54/89/1074985489.db2.gz SRUFPHDPTAJPTQ-NSHDSACASA-N -1 1 314.301 2.126 20 5 DEBDMM O=C(NCCCc1ccsc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001559046465 1075111415 /nfs/dbraw/zinc/11/14/15/1075111415.db2.gz HZJLRUKAOLXITP-UHFFFAOYSA-N -1 1 307.331 2.120 20 5 DEBDMM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)[N-]c1cnoc1 ZINC001584536362 1076303338 /nfs/dbraw/zinc/30/33/38/1076303338.db2.gz ZQHZZGSMRXXMHC-UHFFFAOYSA-N -1 1 324.680 2.447 20 5 DEBDMM CC(C)(C)OCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589197554 1076479604 /nfs/dbraw/zinc/47/96/04/1076479604.db2.gz NMYGBKGOARRCOD-UHFFFAOYSA-N -1 1 306.326 2.002 20 5 DEBDMM CC(C)(C)OCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589197554 1076479608 /nfs/dbraw/zinc/47/96/08/1076479608.db2.gz NMYGBKGOARRCOD-UHFFFAOYSA-N -1 1 306.326 2.002 20 5 DEBDMM C[C@H](c1ccc(Cl)cc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590041032 1076550969 /nfs/dbraw/zinc/55/09/69/1076550969.db2.gz WSMRTOLHEXOQPX-SSDOTTSWSA-N -1 1 319.712 2.234 20 5 DEBDMM C[C@@]1(F)CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590142312 1076573113 /nfs/dbraw/zinc/57/31/13/1076573113.db2.gz XRJBIMARVZKOMT-CYBMUJFWSA-N -1 1 306.301 2.103 20 5 DEBDMM C[C@@]1(F)CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590142312 1076573119 /nfs/dbraw/zinc/57/31/19/1076573119.db2.gz XRJBIMARVZKOMT-CYBMUJFWSA-N -1 1 306.301 2.103 20 5 DEBDMM C[C@]1(F)CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590141256 1076573539 /nfs/dbraw/zinc/57/35/39/1076573539.db2.gz GHIYCCVBWNAKMB-NSHDSACASA-N -1 1 312.330 2.165 20 5 DEBDMM C[C@]1(F)CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590141256 1076573543 /nfs/dbraw/zinc/57/35/43/1076573543.db2.gz GHIYCCVBWNAKMB-NSHDSACASA-N -1 1 312.330 2.165 20 5 DEBDMM C[C@@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@@H](C)O1 ZINC001590191082 1076579121 /nfs/dbraw/zinc/57/91/21/1076579121.db2.gz DHUQXKQPRUJLIT-OPRDCNLKSA-N -1 1 318.337 2.000 20 5 DEBDMM C[C@@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@@H](C)O1 ZINC001590191082 1076579125 /nfs/dbraw/zinc/57/91/25/1076579125.db2.gz DHUQXKQPRUJLIT-OPRDCNLKSA-N -1 1 318.337 2.000 20 5 DEBDMM C[C@@H]1CC[C@H](C)N(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590226615 1076590026 /nfs/dbraw/zinc/59/00/26/1076590026.db2.gz DRAHNWBUNVTQOA-SFYZADRCSA-N -1 1 308.367 2.461 20 5 DEBDMM C[C@@H]1CC[C@H](C)N(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590226615 1076590030 /nfs/dbraw/zinc/59/00/30/1076590030.db2.gz DRAHNWBUNVTQOA-SFYZADRCSA-N -1 1 308.367 2.461 20 5 DEBDMM C[C@@H]1CCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590246747 1076598549 /nfs/dbraw/zinc/59/85/49/1076598549.db2.gz FTPSVQNGAPUNBZ-BDAKNGLRSA-N -1 1 303.326 2.018 20 5 DEBDMM C[C@@H]1CCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590246747 1076598553 /nfs/dbraw/zinc/59/85/53/1076598553.db2.gz FTPSVQNGAPUNBZ-BDAKNGLRSA-N -1 1 303.326 2.018 20 5 DEBDMM C[C@@H]1SCC[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590336720 1076613095 /nfs/dbraw/zinc/61/30/95/1076613095.db2.gz LUHKTJPFFDLCIZ-WDSKDSINSA-N -1 1 312.380 2.142 20 5 DEBDMM C[C@@H]1SCC[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590336720 1076613098 /nfs/dbraw/zinc/61/30/98/1076613098.db2.gz LUHKTJPFFDLCIZ-WDSKDSINSA-N -1 1 312.380 2.142 20 5 DEBDMM CCO[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590820606 1076680890 /nfs/dbraw/zinc/68/08/90/1076680890.db2.gz YXNXVCGARKDEKL-DGCLKSJQSA-N -1 1 318.337 2.144 20 5 DEBDMM CO[C@@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591361287 1076734001 /nfs/dbraw/zinc/73/40/01/1076734001.db2.gz MSJHWTZOBXGZMT-NOZJJQNGSA-N -1 1 318.337 2.002 20 5 DEBDMM CO[C@@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591361287 1076734004 /nfs/dbraw/zinc/73/40/04/1076734004.db2.gz MSJHWTZOBXGZMT-NOZJJQNGSA-N -1 1 318.337 2.002 20 5 DEBDMM Cc1cc(NCCCOC(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592048880 1076838411 /nfs/dbraw/zinc/83/84/11/1076838411.db2.gz RXBRGYVVUXPNQV-UHFFFAOYSA-N -1 1 320.353 2.310 20 5 DEBDMM Cc1cc(NCCCOC(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592048880 1076838415 /nfs/dbraw/zinc/83/84/15/1076838415.db2.gz RXBRGYVVUXPNQV-UHFFFAOYSA-N -1 1 320.353 2.310 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2CCC[C@@H]3C[C@@H]32)cccc1-c1nnn[n-]1 ZINC001593466064 1077006235 /nfs/dbraw/zinc/00/62/35/1077006235.db2.gz VTKWNAHEWGFOCL-DVVUODLYSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2CCC[C@@H]3C[C@@H]32)cccc1-c1nn[n-]n1 ZINC001593466064 1077006238 /nfs/dbraw/zinc/00/62/38/1077006238.db2.gz VTKWNAHEWGFOCL-DVVUODLYSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1ccc(N2CC[C@@]3(CC3(F)F)C2)cc1-c1nnn[n-]1 ZINC001593475578 1077008466 /nfs/dbraw/zinc/00/84/66/1077008466.db2.gz BMMMPDAIPDGCDQ-GFCCVEGCSA-N -1 1 322.275 2.010 20 5 DEBDMM O=[N+]([O-])c1ccc(N2CC[C@@]3(CC3(F)F)C2)cc1-c1nn[n-]n1 ZINC001593475578 1077008473 /nfs/dbraw/zinc/00/84/73/1077008473.db2.gz BMMMPDAIPDGCDQ-GFCCVEGCSA-N -1 1 322.275 2.010 20 5 DEBDMM O=[N+]([O-])c1cccc(SCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001593484677 1077010916 /nfs/dbraw/zinc/01/09/16/1077010916.db2.gz CUMIEBBIVQCWOO-UHFFFAOYSA-N -1 1 314.330 2.462 20 5 DEBDMM O=[N+]([O-])c1cccc(SCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001593484677 1077010920 /nfs/dbraw/zinc/01/09/20/1077010920.db2.gz CUMIEBBIVQCWOO-UHFFFAOYSA-N -1 1 314.330 2.462 20 5 DEBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCCc3cn[nH]c32)n1 ZINC001600106720 1077138127 /nfs/dbraw/zinc/13/81/27/1077138127.db2.gz JVIPTAHKPJXAAH-SNVBAGLBSA-N -1 1 317.305 2.209 20 5 DEBDMM Cn1ncc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1C(F)F ZINC001608158694 1077600950 /nfs/dbraw/zinc/60/09/50/1077600950.db2.gz CJRNAYAUPQMKFR-UHFFFAOYSA-N -1 1 313.220 2.103 20 5 DEBDMM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001608622987 1077665819 /nfs/dbraw/zinc/66/58/19/1077665819.db2.gz JIMVCSCVECBQKU-VHSXEESVSA-N -1 1 323.301 2.235 20 5 DEBDMM O=[N+]([O-])c1cnc(Sc2cccc(O)c2)c(-c2nn[n-]n2)c1 ZINC001609604525 1077882336 /nfs/dbraw/zinc/88/23/36/1077882336.db2.gz UWXFIWSLRBDIFS-UHFFFAOYSA-N -1 1 316.302 2.027 20 5 DEBDMM C[C@](CC(=O)[O-])(NCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001609730467 1077911849 /nfs/dbraw/zinc/91/18/49/1077911849.db2.gz RABOQILWBUBVMY-MRXNPFEDSA-N -1 1 315.329 2.470 20 5 DEBDMM CC[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC001655676137 1080011849 /nfs/dbraw/zinc/01/18/49/1080011849.db2.gz FNZZYJLHQIWIPV-GFCCVEGCSA-N -1 1 321.358 2.419 20 5 DEBDMM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000702384227 1086426434 /nfs/dbraw/zinc/42/64/34/1086426434.db2.gz RMSLIIRAZLKEIU-LBPRGKRZSA-N -1 1 302.327 2.201 20 5 DEBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111667633 185622948 /nfs/dbraw/zinc/62/29/48/185622948.db2.gz KIEZXLDBPIOFAL-UHFFFAOYSA-N -1 1 310.697 2.097 20 5 DEBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000069446846 354865019 /nfs/dbraw/zinc/86/50/19/354865019.db2.gz LYZYAZDOPKGEAX-UHFFFAOYSA-N -1 1 320.326 2.331 20 5 DEBDMM CCC1(O)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593737972 358133504 /nfs/dbraw/zinc/13/35/04/358133504.db2.gz JBMLECRQPRQIBU-UHFFFAOYSA-N -1 1 308.334 2.030 20 5 DEBDMM CCS[C@@H]1CCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187165875 200070754 /nfs/dbraw/zinc/07/07/54/200070754.db2.gz CRSACKUNRFANTE-MWLCHTKSSA-N -1 1 311.363 2.099 20 5 DEBDMM CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531556034 284577686 /nfs/dbraw/zinc/57/76/86/284577686.db2.gz AQSWIAKIGTZXNI-LLVKDONJSA-N -1 1 313.379 2.237 20 5 DEBDMM CCC(CC)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000104751695 194034627 /nfs/dbraw/zinc/03/46/27/194034627.db2.gz JAYJCLDSLICPHQ-UHFFFAOYSA-N -1 1 304.343 2.448 20 5 DEBDMM C[C@H](Cc1ccccc1F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186999663 402476968 /nfs/dbraw/zinc/47/69/68/402476968.db2.gz FGNKUGRGEHHCAO-SECBINFHSA-N -1 1 319.292 2.196 20 5 DEBDMM CC(C)[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N(C)C ZINC000273612281 403019426 /nfs/dbraw/zinc/01/94/26/403019426.db2.gz PNGBCDLUTJJALU-NSHDSACASA-N -1 1 315.757 2.479 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000277951008 403273972 /nfs/dbraw/zinc/27/39/72/403273972.db2.gz SQAJZVAGOAIUDV-LLVKDONJSA-N -1 1 302.290 2.001 20 5 DEBDMM Cn1nccc1[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000332271820 403536460 /nfs/dbraw/zinc/53/64/60/403536460.db2.gz CWNLYDRMLADHHZ-GFCCVEGCSA-N -1 1 316.361 2.414 20 5 DEBDMM Cn1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc2ccc(F)cc21 ZINC000344905444 404437785 /nfs/dbraw/zinc/43/77/85/404437785.db2.gz HMZTURXVAOZKNF-UHFFFAOYSA-N -1 1 303.253 2.201 20 5 DEBDMM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352968385 404706539 /nfs/dbraw/zinc/70/65/39/404706539.db2.gz GEMMZSBLJAVJDF-HZGVNTEJSA-N -1 1 319.239 2.108 20 5 DEBDMM C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C(=O)[O-] ZINC000567857975 406149670 /nfs/dbraw/zinc/14/96/70/406149670.db2.gz RLMOPNXZYMXZPT-GXSJLCMTSA-N -1 1 319.317 2.279 20 5 DEBDMM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525183054 406472783 /nfs/dbraw/zinc/47/27/83/406472783.db2.gz WYMORPBBSCREOA-ZJUUUORDSA-N -1 1 301.368 2.093 20 5 DEBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000525687878 406495461 /nfs/dbraw/zinc/49/54/61/406495461.db2.gz TXIPAWRKXDNJSG-SNVBAGLBSA-N -1 1 307.331 2.029 20 5 DEBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000132798633 196285087 /nfs/dbraw/zinc/28/50/87/196285087.db2.gz FYMBFUGTUHENKC-MRVPVSSYSA-N -1 1 302.327 2.058 20 5 DEBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCC1CCCC1 ZINC000525698607 269487623 /nfs/dbraw/zinc/48/76/23/269487623.db2.gz BOXFUJWSWKGKSM-UHFFFAOYSA-N -1 1 313.379 2.239 20 5 DEBDMM COC(=O)c1c[n-]c(SCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000193535878 533708446 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363476828 /nfs/dbraw/zinc/47/68/28/363476828.db2.gz FOSJBKCLQONRII-GFCCVEGCSA-N -1 1 317.276 2.422 20 5 DEBDMM CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000581173183 357141783 /nfs/dbraw/zinc/14/17/83/357141783.db2.gz YQZWOSHWKXCIMA-QWRGUYRKSA-N -1 1 313.379 2.094 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000590397876 357540258 /nfs/dbraw/zinc/54/02/58/357540258.db2.gz IEIOZQMBYBAGHY-UHFFFAOYSA-N -1 1 313.273 2.132 20 5 DEBDMM Cc1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000609321739 361299934 /nfs/dbraw/zinc/29/99/34/361299934.db2.gz ULXZFFFKMNMLHJ-CQSZACIVSA-N -1 1 313.313 2.421 20 5 DEBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000610265072 361376252 /nfs/dbraw/zinc/37/62/52/361376252.db2.gz HQGBZVGTEGWRDU-JTQLQIEISA-N -1 1 313.379 2.237 20 5 DEBDMM COC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000611465019 361603667 /nfs/dbraw/zinc/60/36/67/361603667.db2.gz MWEROQQTWUBBNB-UHFFFAOYSA-N -1 1 309.303 2.332 20 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/nfs/dbraw/zinc/17/21/68/402172168.db2.gz HUUDTRXHEHJNJE-UHFFFAOYSA-N -1 1 301.302 2.276 20 5 DEBDMM Cc1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1[N+](=O)[O-] ZINC000180258116 402611513 /nfs/dbraw/zinc/61/15/13/402611513.db2.gz WIOPBFQJSPFZDE-UHFFFAOYSA-N -1 1 311.294 2.238 20 5 DEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2F)c(Cl)c1 ZINC000339125316 403363158 /nfs/dbraw/zinc/36/31/58/403363158.db2.gz YPBFAPDGSDZIGY-UWVGGRQHSA-N -1 1 322.745 2.417 20 5 DEBDMM O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343362285 403553950 /nfs/dbraw/zinc/55/39/50/403553950.db2.gz YVRKMTQSMIPWJE-UHFFFAOYSA-N -1 1 311.301 2.420 20 5 DEBDMM CC(C)[C@@H]1N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC12CCC2 ZINC000293760830 403557470 /nfs/dbraw/zinc/55/74/70/403557470.db2.gz XKAZLPILGOSOHC-LBPRGKRZSA-N -1 1 305.334 2.346 20 5 DEBDMM CC(C)C1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000293838951 403577653 /nfs/dbraw/zinc/57/76/53/403577653.db2.gz QKTKRPNJLVQVNT-UHFFFAOYSA-N -1 1 302.327 2.201 20 5 DEBDMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352968386 404707435 /nfs/dbraw/zinc/70/74/35/404707435.db2.gz GEMMZSBLJAVJDF-IMTBSYHQSA-N -1 1 319.239 2.108 20 5 DEBDMM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577698166 405492637 /nfs/dbraw/zinc/49/26/37/405492637.db2.gz SADKEJAUVPURQS-NSHDSACASA-N -1 1 313.379 2.403 20 5 DEBDMM Cc1ccc([C@@H]2C[C@H]2NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000582183668 405688955 /nfs/dbraw/zinc/68/89/55/405688955.db2.gz WEKRZBOULWUZOY-GXTWGEPZSA-N -1 1 313.313 2.290 20 5 DEBDMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000525601088 406491773 /nfs/dbraw/zinc/49/17/73/406491773.db2.gz LQXPIYHJBLPPQS-MXWKQRLJSA-N -1 1 313.379 2.093 20 5 DEBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000132798429 196284772 /nfs/dbraw/zinc/28/47/72/196284772.db2.gz FYMBFUGTUHENKC-QMMMGPOBSA-N -1 1 302.327 2.058 20 5 DEBDMM Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n[nH]1 ZINC000353106987 526577357 /nfs/dbraw/zinc/57/73/57/526577357.db2.gz CRVSJAJXKLNDBD-UHFFFAOYSA-N -1 1 312.289 2.269 20 5 DEBDMM CC[C@H](C)C[C@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820869786 606713274 /nfs/dbraw/zinc/71/32/74/606713274.db2.gz IUCWLHLVNAMBKH-IUCAKERBSA-N -1 1 305.342 2.407 20 5 DEBDMM CC[C@H](C)C[C@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820869786 606713275 /nfs/dbraw/zinc/71/32/75/606713275.db2.gz IUCWLHLVNAMBKH-IUCAKERBSA-N -1 1 305.342 2.407 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC(C1CC1)C1CC1 ZINC000823620974 606713934 /nfs/dbraw/zinc/71/39/34/606713934.db2.gz UYBHBMJDQSNXRH-UHFFFAOYSA-N -1 1 315.337 2.018 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC(C1CC1)C1CC1 ZINC000823620974 606713935 /nfs/dbraw/zinc/71/39/35/606713935.db2.gz UYBHBMJDQSNXRH-UHFFFAOYSA-N -1 1 315.337 2.018 20 5 DEBDMM C[C@H]1c2ccccc2CN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820828036 606714616 /nfs/dbraw/zinc/71/46/16/606714616.db2.gz ZMGUVPUHTWTPAD-VIFPVBQESA-N -1 1 323.316 2.251 20 5 DEBDMM C[C@H]1c2ccccc2CN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820828036 606714618 /nfs/dbraw/zinc/71/46/18/606714618.db2.gz ZMGUVPUHTWTPAD-VIFPVBQESA-N -1 1 323.316 2.251 20 5 DEBDMM O=C([O-])C1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000263481108 640253484 /nfs/dbraw/zinc/25/34/84/640253484.db2.gz GHUPDITUVWRGHE-UHFFFAOYSA-N -1 1 302.286 2.371 20 5 DEBDMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000921309515 648288122 /nfs/dbraw/zinc/28/81/22/648288122.db2.gz LHJFLRXUDRKRMJ-SDNRWEOFSA-N -1 1 314.338 2.057 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(F)(C2CC2)CC1 ZINC000834570679 649817707 /nfs/dbraw/zinc/81/77/07/649817707.db2.gz PWAFXNIRPSAQFX-UHFFFAOYSA-N -1 1 309.297 2.050 20 5 DEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C=CCC1 ZINC000849430144 651670363 /nfs/dbraw/zinc/67/03/63/651670363.db2.gz IHBCLVIWFYQTJX-VIFPVBQESA-N -1 1 302.739 2.245 20 5 DEBDMM Cc1ccc([C@@H](C)NC(=O)c2ccc([O-])cn2)cc1[N+](=O)[O-] ZINC001137045262 790613416 /nfs/dbraw/zinc/61/34/16/790613416.db2.gz ZWAZREGMPAHGCO-SNVBAGLBSA-N -1 1 301.302 2.495 20 5 DEBDMM O=C(N[C@H](CF)c1ccc(F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161741943 798927450 /nfs/dbraw/zinc/92/74/50/798927450.db2.gz ODJVCZOJFCGYOB-GFCCVEGCSA-N -1 1 323.255 2.275 20 5 DEBDMM O=[N+]([O-])c1cc(Nc2ncccc2N2CCOCC2)ccc1[O-] ZINC001210396445 801390454 /nfs/dbraw/zinc/39/04/54/801390454.db2.gz RWHHBUPEKWPULK-UHFFFAOYSA-N -1 1 316.317 2.276 20 5 DEBDMM COC(=O)c1ccnnc1[N-]c1c(F)ccc([N+](=O)[O-])c1F ZINC001215289527 801830051 /nfs/dbraw/zinc/83/00/51/801830051.db2.gz LKPRIQKECIBXGC-UHFFFAOYSA-N -1 1 310.216 2.193 20 5 DEBDMM O=c1c2cc(O[C@H]3C[C@@H](O)C3)c([O-])cc2oc2cccc(O)c12 ZINC001218414835 802178889 /nfs/dbraw/zinc/17/88/89/802178889.db2.gz BHBCECHYMOTKNW-DTORHVGOSA-N -1 1 314.293 2.260 20 5 DEBDMM C[C@@H](CON)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227310551 803229862 /nfs/dbraw/zinc/22/98/62/803229862.db2.gz VMPMAMGRHZVXRE-QMMMGPOBSA-N -1 1 317.297 2.015 20 5 DEBDMM COc1ccc([C@H](C)Oc2nc[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC001228140729 803324025 /nfs/dbraw/zinc/32/40/25/803324025.db2.gz MOGSGBBNHRULJT-QMMMGPOBSA-N -1 1 321.289 2.248 20 5 DEBDMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001589307735 953756598 /nfs/dbraw/zinc/75/65/98/953756598.db2.gz CLJCCFSUTYLKGM-UWVGGRQHSA-N -1 1 319.317 2.421 20 5 DEBDMM C[C@H](c1ccccc1Cl)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001603734870 1070063788 /nfs/dbraw/zinc/06/37/88/1070063788.db2.gz OORHCTJMGQETKI-SSDOTTSWSA-N -1 1 319.712 2.234 20 5 DEBDMM CC1(C)CC[C@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])O1 ZINC001603772015 1070092456 /nfs/dbraw/zinc/09/24/56/1070092456.db2.gz JIVFORPDKAYJCI-SECBINFHSA-N -1 1 318.337 2.144 20 5 DEBDMM CC1(C)CC[C@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])O1 ZINC001603772015 1070092468 /nfs/dbraw/zinc/09/24/68/1070092468.db2.gz JIVFORPDKAYJCI-SECBINFHSA-N -1 1 318.337 2.144 20 5 DEBDMM CCC(C)(C)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603981795 1070163863 /nfs/dbraw/zinc/16/38/63/1070163863.db2.gz MJOGFEKMRNRBBT-UHFFFAOYSA-N -1 1 305.342 2.205 20 5 DEBDMM CCC(C)(C)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603981795 1070163868 /nfs/dbraw/zinc/16/38/68/1070163868.db2.gz MJOGFEKMRNRBBT-UHFFFAOYSA-N -1 1 305.342 2.205 20 5 DEBDMM CCC(C)(C)OCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603984932 1070165123 /nfs/dbraw/zinc/16/51/23/1070165123.db2.gz XPMDJXLXKQHTFZ-UHFFFAOYSA-N -1 1 320.353 2.392 20 5 DEBDMM CCC(C)(C)OCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603984932 1070165125 /nfs/dbraw/zinc/16/51/25/1070165125.db2.gz XPMDJXLXKQHTFZ-UHFFFAOYSA-N -1 1 320.353 2.392 20 5 DEBDMM CO[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605030894 1070586621 /nfs/dbraw/zinc/58/66/21/1070586621.db2.gz QRMKCSQPXXGYKC-ZANVPECISA-N -1 1 318.337 2.002 20 5 DEBDMM Cc1cccc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC001475129916 1060971906 /nfs/dbraw/zinc/97/19/06/1060971906.db2.gz IWXZYBKPXPWSHV-NSHDSACASA-N -1 1 321.358 2.338 20 5 DEBDMM O=C(Nc1cccc(F)c1[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001635725842 1078457216 /nfs/dbraw/zinc/45/72/16/1078457216.db2.gz VXNJMBGJZHVRFM-LBPRGKRZSA-N -1 1 306.249 2.112 20 5 DEBDMM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(F)c1[O-] ZINC001635725600 1078457388 /nfs/dbraw/zinc/45/73/88/1078457388.db2.gz PHEFONLVWMSACQ-UHFFFAOYSA-N -1 1 309.228 2.413 20 5 DEBDMM O=C(NCc1ccc2occc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001640079484 1078641559 /nfs/dbraw/zinc/64/15/59/1078641559.db2.gz WJDLIFGBJSYVQE-UHFFFAOYSA-N -1 1 313.269 2.372 20 5 DEBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001648276357 1074991368 /nfs/dbraw/zinc/99/13/68/1074991368.db2.gz IKXSAOUKZUSEOJ-MRVPVSSYSA-N -1 1 305.265 2.326 20 5 DEBDMM CC(C)CCOCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589606698 1076501768 /nfs/dbraw/zinc/50/17/68/1076501768.db2.gz COKSXGRYILKPHN-UHFFFAOYSA-N -1 1 320.353 2.250 20 5 DEBDMM CC(C)CCOCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589606698 1076501772 /nfs/dbraw/zinc/50/17/72/1076501772.db2.gz COKSXGRYILKPHN-UHFFFAOYSA-N -1 1 320.353 2.250 20 5 DEBDMM CC1(C)[C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1(F)F ZINC001590077633 1076556573 /nfs/dbraw/zinc/55/65/73/1076556573.db2.gz XCDIVJMHKFFZKF-SNVBAGLBSA-N -1 1 324.291 2.478 20 5 DEBDMM CC1(C)CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H]1C1CC1 ZINC001590106054 1076565635 /nfs/dbraw/zinc/56/56/35/1076565635.db2.gz MRSTVOYPNRTZPP-JTQLQIEISA-N -1 1 320.378 2.461 20 5 DEBDMM CC1(C)CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H]1C1CC1 ZINC001590106054 1076565641 /nfs/dbraw/zinc/56/56/41/1076565641.db2.gz MRSTVOYPNRTZPP-JTQLQIEISA-N -1 1 320.378 2.461 20 5 DEBDMM CC1(C)SC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590119075 1076567782 /nfs/dbraw/zinc/56/77/82/1076567782.db2.gz XTWRCFUDJFKHMS-SSDOTTSWSA-N -1 1 312.380 2.142 20 5 DEBDMM CC1(C)SC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590119075 1076567786 /nfs/dbraw/zinc/56/77/86/1076567786.db2.gz XTWRCFUDJFKHMS-SSDOTTSWSA-N -1 1 312.380 2.142 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@@H](C)O1 ZINC001590193745 1076581232 /nfs/dbraw/zinc/58/12/32/1076581232.db2.gz TUIDRVWRUPSFEN-BBBLOLIVSA-N -1 1 318.337 2.000 20 5 DEBDMM C[C@H]1CC(Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001590210140 1076584019 /nfs/dbraw/zinc/58/40/19/1076584019.db2.gz WINMHPGAUMWUGK-IUCAKERBSA-N -1 1 318.337 2.143 20 5 DEBDMM C[C@H]1CC(Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001590210140 1076584025 /nfs/dbraw/zinc/58/40/25/1076584025.db2.gz WINMHPGAUMWUGK-IUCAKERBSA-N -1 1 318.337 2.143 20 5 DEBDMM COC1([C@@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCC1 ZINC001591337431 1076726145 /nfs/dbraw/zinc/72/61/45/1076726145.db2.gz FQVNZYZZNYLDGT-SECBINFHSA-N -1 1 318.337 2.144 20 5 DEBDMM O=[N+]([O-])c1cc(NCC[C@@H]2CC2(F)F)ccc1-c1nn[n-]n1 ZINC001593475243 1077008483 /nfs/dbraw/zinc/00/84/83/1077008483.db2.gz ZBWQUZVYTGVCHJ-SSDOTTSWSA-N -1 1 310.264 2.232 20 5 DEBDMM 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CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001609714586 1077908698 /nfs/dbraw/zinc/90/86/98/1077908698.db2.gz WNDBXRWQZQVDLG-NHAGDIPZSA-N -1 1 320.345 2.144 20 5 DEBDMM CCn1ncc([N-]c2nccc(C(=O)OC)c2[N+](=O)[O-])c1C ZINC001652188757 1079857179 /nfs/dbraw/zinc/85/71/79/1079857179.db2.gz JPYNFSJZJVSQQE-UHFFFAOYSA-N -1 1 305.294 2.045 20 5 DEBDMM CC(=O)c1ccc(F)c(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1 ZINC001212893076 1087755038 /nfs/dbraw/zinc/75/50/38/1087755038.db2.gz LLKZUFAMVMBAFE-UHFFFAOYSA-N -1 1 317.236 2.377 20 5 DEBDMM CN(C)c1ccccc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893093 1087755302 /nfs/dbraw/zinc/75/53/02/1087755302.db2.gz LZDDSLKUHMXRNB-UHFFFAOYSA-N -1 1 300.278 2.101 20 5 DEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC(F)F)c(F)c1 ZINC001119608409 1138295150 /nfs/dbraw/zinc/29/51/50/1138295150.db2.gz DSQRJYCZNWWYHH-UHFFFAOYSA-N -1 1 312.269 2.058 20 5 DEBDMM CC(C)N(C)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181537560 199314105 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O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823368013 606496335 /nfs/dbraw/zinc/49/63/35/606496335.db2.gz RAXGCUAUZQWPLV-UHFFFAOYSA-N -1 1 316.302 2.089 20 5 DEBDMM C[C@@H]1CC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000820690226 606710459 /nfs/dbraw/zinc/71/04/59/606710459.db2.gz HTHOJFBFXLMCKY-WCABBAIRSA-N -1 1 317.353 2.407 20 5 DEBDMM C[C@@H]1CC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000820690226 606710461 /nfs/dbraw/zinc/71/04/61/606710461.db2.gz HTHOJFBFXLMCKY-WCABBAIRSA-N -1 1 317.353 2.407 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(F)cc1 ZINC000823625529 607161981 /nfs/dbraw/zinc/16/19/81/607161981.db2.gz XUTJYQJYPDXABU-UHFFFAOYSA-N -1 1 301.241 2.053 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(F)cc1 ZINC000823625529 607161983 /nfs/dbraw/zinc/16/19/83/607161983.db2.gz XUTJYQJYPDXABU-UHFFFAOYSA-N -1 1 301.241 2.053 20 5 DEBDMM CN(Cc1ccsc1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000825986167 607838726 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/nfs/dbraw/zinc/66/96/27/651669627.db2.gz XBNSXUICHKHECS-ZETCQYMHSA-N -1 1 320.729 2.384 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000047670672 683910773 /nfs/dbraw/zinc/91/07/73/683910773.db2.gz CKAMWOBEUTZVBG-UHFFFAOYSA-N -1 1 310.306 2.212 20 5 DEBDMM CO[C@@H](C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)n2)n1 ZINC001436230914 1179023400 /nfs/dbraw/zinc/02/34/00/1179023400.db2.gz QISYAJWHVXHQTF-ZETCQYMHSA-N -1 1 323.334 2.109 20 5 DEBDMM O=C(OC[C@H]1CC[C@H](C2CC2)O1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001119343923 795291423 /nfs/dbraw/zinc/29/14/23/795291423.db2.gz SAFDXWKGNMBVLM-ZIAGYGMSSA-N -1 1 307.302 2.415 20 5 DEBDMM Cc1cnc(F)c([C@@H](C)Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001229377427 801266393 /nfs/dbraw/zinc/26/63/93/801266393.db2.gz DELMHIMPUSSCAY-SSDOTTSWSA-N -1 1 308.269 2.381 20 5 DEBDMM CCOC(=O)[C@H]1CCC[C@H]1Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231258619 801619040 /nfs/dbraw/zinc/61/90/40/801619040.db2.gz BEIBIVQLIRCMMY-GXSJLCMTSA-N -1 1 310.306 2.114 20 5 DEBDMM COC(=O)[C@H]1CCC[C@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231264506 801620434 /nfs/dbraw/zinc/62/04/34/801620434.db2.gz RTECOHGGPQEVBW-UWVGGRQHSA-N -1 1 310.306 2.114 20 5 DEBDMM COC(=O)[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001225665562 802999245 /nfs/dbraw/zinc/99/92/45/802999245.db2.gz BSCXZPNHOMVFHM-GFCCVEGCSA-N -1 1 322.248 2.128 20 5 DEBDMM COC(=O)[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1F ZINC001225665562 802999248 /nfs/dbraw/zinc/99/92/48/802999248.db2.gz BSCXZPNHOMVFHM-GFCCVEGCSA-N -1 1 322.248 2.128 20 5 DEBDMM COc1cc(CN2CCC[C@]2(C)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001594055913 958037237 /nfs/dbraw/zinc/03/72/37/958037237.db2.gz DLPDUUJPJQBBRL-CQSZACIVSA-N -1 1 312.297 2.182 20 5 DEBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccns1 ZINC001603678127 1070040018 /nfs/dbraw/zinc/04/00/18/1070040018.db2.gz DRAPBEOUFOYVSK-RXMQYKEDSA-N -1 1 323.363 2.466 20 5 DEBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccns1 ZINC001603678127 1070040026 /nfs/dbraw/zinc/04/00/26/1070040026.db2.gz DRAPBEOUFOYVSK-RXMQYKEDSA-N -1 1 323.363 2.466 20 5 DEBDMM C[C@@H]1CC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC001603861956 1070125323 /nfs/dbraw/zinc/12/53/23/1070125323.db2.gz OPJAYEJFHRXRON-RKDXNWHRSA-N -1 1 318.337 2.143 20 5 DEBDMM CO[C@@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)CC(C)C ZINC001605008547 1070567122 /nfs/dbraw/zinc/56/71/22/1070567122.db2.gz JDTSFGHPFHUSJJ-LLVKDONJSA-N -1 1 320.353 2.248 20 5 DEBDMM Cc1ccoc1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605964846 1070992360 /nfs/dbraw/zinc/99/23/60/1070992360.db2.gz DOYVAVRCPZPSBM-UHFFFAOYSA-N -1 1 300.278 2.288 20 5 DEBDMM Cc1ccoc1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605964846 1070992363 /nfs/dbraw/zinc/99/23/63/1070992363.db2.gz DOYVAVRCPZPSBM-UHFFFAOYSA-N -1 1 300.278 2.288 20 5 DEBDMM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1-c1nnn[n-]1 ZINC001607082066 1071291127 /nfs/dbraw/zinc/29/11/27/1071291127.db2.gz LCWZVAIPJXYSFM-LETLQTKMSA-N -1 1 322.275 2.231 20 5 DEBDMM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1-c1nn[n-]n1 ZINC001607082066 1071291133 /nfs/dbraw/zinc/29/11/33/1071291133.db2.gz LCWZVAIPJXYSFM-LETLQTKMSA-N -1 1 322.275 2.231 20 5 DEBDMM O=[N+]([O-])c1c(NCCc2ccsc2)cccc1-c1nnn[n-]1 ZINC001607077708 1071288442 /nfs/dbraw/zinc/28/84/42/1071288442.db2.gz CZPGJTDRZNKIOZ-UHFFFAOYSA-N -1 1 316.346 2.491 20 5 DEBDMM O=[N+]([O-])c1c(NCCc2ccsc2)cccc1-c1nn[n-]n1 ZINC001607077708 1071288451 /nfs/dbraw/zinc/28/84/51/1071288451.db2.gz CZPGJTDRZNKIOZ-UHFFFAOYSA-N -1 1 316.346 2.491 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC=C(Cl)C1 ZINC001607077569 1071288863 /nfs/dbraw/zinc/28/88/63/1071288863.db2.gz ZSCPERZXNPRING-UHFFFAOYSA-N -1 1 306.713 2.108 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC=C(Cl)C1 ZINC001607077569 1071288869 /nfs/dbraw/zinc/28/88/69/1071288869.db2.gz ZSCPERZXNPRING-UHFFFAOYSA-N -1 1 306.713 2.108 20 5 DEBDMM Cc1ccc(F)c(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC001457801859 1058027889 /nfs/dbraw/zinc/02/78/89/1058027889.db2.gz DEJQWNCUQFJDPB-UHFFFAOYSA-N -1 1 319.292 2.115 20 5 DEBDMM Nc1c(C(=O)Nc2cc(F)cc(F)c2[O-])cccc1[N+](=O)[O-] ZINC001469159199 1059906355 /nfs/dbraw/zinc/90/63/55/1059906355.db2.gz DFBFUKBQUDTYJV-UHFFFAOYSA-N -1 1 309.228 2.413 20 5 DEBDMM O=C(N[C@@H]1C[C@H]1c1ccsc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001638987757 1078590539 /nfs/dbraw/zinc/59/05/39/1078590539.db2.gz GZMNYFLQUIVTEA-GXSJLCMTSA-N -1 1 305.315 2.043 20 5 DEBDMM CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc1C ZINC001570846313 1068137620 /nfs/dbraw/zinc/13/76/20/1068137620.db2.gz ATCNIGJEHLBGSH-UHFFFAOYSA-N -1 1 324.318 2.117 20 5 DEBDMM CC(C)Oc1cc(C(=O)Nc2ccncc2[O-])ccc1[N+](=O)[O-] ZINC001641254652 1078700936 /nfs/dbraw/zinc/70/09/36/1078700936.db2.gz AZPVHXXQOBXYGT-UHFFFAOYSA-N -1 1 317.301 2.157 20 5 DEBDMM C[C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)O1 ZINC001590241716 1076596239 /nfs/dbraw/zinc/59/62/39/1076596239.db2.gz IQCIVSRJQJPSLM-GXSJLCMTSA-N -1 1 318.337 2.144 20 5 DEBDMM C[C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)O1 ZINC001590241716 1076596242 /nfs/dbraw/zinc/59/62/42/1076596242.db2.gz IQCIVSRJQJPSLM-GXSJLCMTSA-N -1 1 318.337 2.144 20 5 DEBDMM C[C@@H]1CCC[C@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])O1 ZINC001590245109 1076597519 /nfs/dbraw/zinc/59/75/19/1076597519.db2.gz WZYOMZVUMXBTEL-NXEZZACHSA-N -1 1 318.337 2.144 20 5 DEBDMM C[C@@H]1CCC[C@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])O1 ZINC001590245109 1076597524 /nfs/dbraw/zinc/59/75/24/1076597524.db2.gz WZYOMZVUMXBTEL-NXEZZACHSA-N -1 1 318.337 2.144 20 5 DEBDMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@@H]1F ZINC001590275928 1076606021 /nfs/dbraw/zinc/60/60/21/1076606021.db2.gz HKBYBVFRCVJVJZ-BQBZGAKWSA-N -1 1 312.330 2.021 20 5 DEBDMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@@H]1F ZINC001590275928 1076606024 /nfs/dbraw/zinc/60/60/24/1076606024.db2.gz HKBYBVFRCVJVJZ-BQBZGAKWSA-N -1 1 312.330 2.021 20 5 DEBDMM COCCC(C)(C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591397722 1076741307 /nfs/dbraw/zinc/74/13/07/1076741307.db2.gz AFRICXJUHXOQSU-UHFFFAOYSA-N -1 1 312.355 2.063 20 5 DEBDMM COCCC(C)(C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591397722 1076741309 /nfs/dbraw/zinc/74/13/09/1076741309.db2.gz AFRICXJUHXOQSU-UHFFFAOYSA-N -1 1 312.355 2.063 20 5 DEBDMM Cc1cc(N2CCCC(F)(F)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592005701 1076828590 /nfs/dbraw/zinc/82/85/90/1076828590.db2.gz XIYPJXWGCOLDAM-UHFFFAOYSA-N -1 1 324.291 2.319 20 5 DEBDMM Cc1cc(N2CCCC(F)(F)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592005701 1076828594 /nfs/dbraw/zinc/82/85/94/1076828594.db2.gz XIYPJXWGCOLDAM-UHFFFAOYSA-N -1 1 324.291 2.319 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1=CCCCC1 ZINC001593465285 1077004985 /nfs/dbraw/zinc/00/49/85/1077004985.db2.gz KLFOKCRPHQBGFT-UHFFFAOYSA-N -1 1 301.310 2.082 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1=CCCCC1 ZINC001593465285 1077004989 /nfs/dbraw/zinc/00/49/89/1077004989.db2.gz KLFOKCRPHQBGFT-UHFFFAOYSA-N -1 1 301.310 2.082 20 5 DEBDMM O=[N+]([O-])c1cc(NC[C@H]2CCCCS2)ccc1-c1nn[n-]n1 ZINC001593474895 1077008796 /nfs/dbraw/zinc/00/87/96/1077008796.db2.gz VKOCAEKEVQUSBY-SNVBAGLBSA-N -1 1 320.378 2.473 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1cccc(O)c1 ZINC001593489312 1077011639 /nfs/dbraw/zinc/01/16/39/1077011639.db2.gz ZVUIHVHHIDAREG-UHFFFAOYSA-N -1 1 318.318 2.154 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1cccc(O)c1 ZINC001593489312 1077011642 /nfs/dbraw/zinc/01/16/42/1077011642.db2.gz ZVUIHVHHIDAREG-UHFFFAOYSA-N -1 1 318.318 2.154 20 5 DEBDMM Cc1nc(C)c(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)[nH]1 ZINC001607950389 1077565543 /nfs/dbraw/zinc/56/55/43/1077565543.db2.gz METWHXQQFHYZAP-HNNXBMFYSA-N -1 1 318.333 2.024 20 5 DEBDMM CC(C)OCCCN(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609101415 1077762239 /nfs/dbraw/zinc/76/22/39/1077762239.db2.gz PJHDFPZLFQLJGB-UHFFFAOYSA-N -1 1 320.353 2.026 20 5 DEBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccnc1 ZINC001609126360 1077767555 /nfs/dbraw/zinc/76/75/55/1077767555.db2.gz QALZKUYIQJAPKY-SECBINFHSA-N -1 1 311.305 2.343 20 5 DEBDMM CCCCOCCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609210865 1077801026 /nfs/dbraw/zinc/80/10/26/1077801026.db2.gz VBEDSEINBSRLAN-UHFFFAOYSA-N -1 1 320.353 2.394 20 5 DEBDMM CCCCOCCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609210865 1077801029 /nfs/dbraw/zinc/80/10/29/1077801029.db2.gz VBEDSEINBSRLAN-UHFFFAOYSA-N -1 1 320.353 2.394 20 5 DEBDMM CO[C@@H]1CCC[C@@H]1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609314718 1077832276 /nfs/dbraw/zinc/83/22/76/1077832276.db2.gz RAKYNGYOVMZEOT-BXKDBHETSA-N -1 1 318.337 2.002 20 5 DEBDMM CO[C@@H]1CCC[C@@H]1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609314718 1077832279 /nfs/dbraw/zinc/83/22/79/1077832279.db2.gz RAKYNGYOVMZEOT-BXKDBHETSA-N -1 1 318.337 2.002 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@@H](C2CCC2)C1 ZINC001609599575 1077880923 /nfs/dbraw/zinc/88/09/23/1077880923.db2.gz KYNFFNWJMMCJES-LLVKDONJSA-N -1 1 314.349 2.401 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@@H](C2CCC2)C1 ZINC001609599575 1077880925 /nfs/dbraw/zinc/88/09/25/1077880925.db2.gz KYNFFNWJMMCJES-LLVKDONJSA-N -1 1 314.349 2.401 20 5 DEBDMM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccncc1[O-] ZINC001654301007 1079960161 /nfs/dbraw/zinc/96/01/61/1079960161.db2.gz HEQSYVMKMVDDEL-UHFFFAOYSA-N -1 1 305.315 2.092 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C=CCCC2)cc1F ZINC001660811543 1080400925 /nfs/dbraw/zinc/40/09/25/1080400925.db2.gz BVPWTBQITFPTHI-JTQLQIEISA-N -1 1 314.338 2.429 20 5 DEBDMM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC001666223439 1081135415 /nfs/dbraw/zinc/13/54/15/1081135415.db2.gz NPEGODRYOLBUAG-JTQLQIEISA-N -1 1 307.331 2.029 20 5 DEBDMM O=C(Nc1cccc(F)c1[O-])c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001648850499 1082105510 /nfs/dbraw/zinc/10/55/10/1082105510.db2.gz HQGNZPAJWBGCAN-UHFFFAOYSA-N -1 1 320.232 2.421 20 5 DEBDMM COc1c(F)c(F)ccc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893226 1087756361 /nfs/dbraw/zinc/75/63/61/1087756361.db2.gz SCPRMENBEQJAFJ-UHFFFAOYSA-N -1 1 323.215 2.322 20 5 DEBDMM CC(C)Oc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cn1 ZINC001212894086 1087758820 /nfs/dbraw/zinc/75/88/20/1087758820.db2.gz OFZYCUOACKLPJL-UHFFFAOYSA-N -1 1 316.277 2.217 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001298677980 1140072669 /nfs/dbraw/zinc/07/26/69/1140072669.db2.gz XTTPZSDAOFPXKO-UHFFFAOYSA-N -1 1 310.697 2.167 20 5 DEBDMM CN(CCCc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193421756 282350829 /nfs/dbraw/zinc/35/08/29/282350829.db2.gz XGOOVUIQEXXTAO-UHFFFAOYSA-N -1 1 315.329 2.400 20 5 DEBDMM COC1CCC(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000330797205 232075740 /nfs/dbraw/zinc/07/57/40/232075740.db2.gz AMKISANETBGZQM-UHFFFAOYSA-N -1 1 323.349 2.021 20 5 DEBDMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000332669361 282901571 /nfs/dbraw/zinc/90/15/71/282901571.db2.gz RNFYLRDJBMWMNV-JBLDHEPKSA-N -1 1 305.334 2.394 20 5 DEBDMM O=C(NCc1cccc(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000015581925 354034640 /nfs/dbraw/zinc/03/46/40/354034640.db2.gz FXLZBWYAABOXNT-UHFFFAOYSA-N -1 1 307.693 2.279 20 5 DEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@]12C[C@H]1CCC2 ZINC000594806157 358340225 /nfs/dbraw/zinc/34/02/25/358340225.db2.gz XWYWPZHAHBWTOQ-PRHODGIISA-N -1 1 316.766 2.469 20 5 DEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(Cc2ccsc2)C1 ZINC000598779804 359326150 /nfs/dbraw/zinc/32/61/50/359326150.db2.gz XPFMDGIXAZFVJD-UHFFFAOYSA-N -1 1 319.342 2.072 20 5 DEBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](C)C1(F)F ZINC000600831499 359841535 /nfs/dbraw/zinc/84/15/35/359841535.db2.gz BZDFMZLURKNWLU-YUMQZZPRSA-N -1 1 315.276 2.059 20 5 DEBDMM CC(C)(CCC(=O)NCc1ccc([O-])c(Cl)c1)[N+](=O)[O-] ZINC000834821801 649851855 /nfs/dbraw/zinc/85/18/55/649851855.db2.gz GZURNIPNZLEPBY-UHFFFAOYSA-N -1 1 300.742 2.497 20 5 DEBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1[N+](=O)[O-] ZINC000093634346 193277167 /nfs/dbraw/zinc/27/71/67/193277167.db2.gz OLPYGENBXLWAAL-UHFFFAOYSA-N -1 1 307.331 2.286 20 5 DEBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1[O-] ZINC000530951348 284490962 /nfs/dbraw/zinc/49/09/62/284490962.db2.gz ATBPPIFVYZBNLC-UHFFFAOYSA-N -1 1 320.276 2.248 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC2(CCCC2)C1 ZINC000438681362 296283310 /nfs/dbraw/zinc/28/33/10/296283310.db2.gz ZNOWHWRUXJDPTI-UHFFFAOYSA-N -1 1 305.334 2.492 20 5 DEBDMM O=C(NC1(c2ccccc2F)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185691780 207367037 /nfs/dbraw/zinc/36/70/37/207367037.db2.gz PFVLCHJNKDFFPJ-UHFFFAOYSA-N -1 1 317.276 2.254 20 5 DEBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCC1 ZINC000157637985 197203488 /nfs/dbraw/zinc/20/34/88/197203488.db2.gz QJELPASDUUJTHR-MRVPVSSYSA-N -1 1 302.327 2.201 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000157220978 197171253 /nfs/dbraw/zinc/17/12/53/197171253.db2.gz YFBDRUVOVREFHS-VIFPVBQESA-N -1 1 300.311 2.121 20 5 DEBDMM COC(=O)c1c[n-]c(SCc2cc([N+](=O)[O-])ccc2OC)n1 ZINC000361995039 133204302 /nfs/dbraw/zinc/20/43/02/133204302.db2.gz BDIVYMKMNNTTMO-UHFFFAOYSA-N -1 1 323.330 2.405 20 5 DEBDMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000362092374 133211130 /nfs/dbraw/zinc/21/11/30/133211130.db2.gz DNCZPVJPXLRCOI-ZETCQYMHSA-N -1 1 312.269 2.214 20 5 DEBDMM CCc1cnccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000359349048 147312233 /nfs/dbraw/zinc/31/22/33/147312233.db2.gz VELNHZKPSBOFMQ-SECBINFHSA-N -1 1 316.317 2.144 20 5 DEBDMM CCCCc1nnc([N-]C(=O)c2c([N+](=O)[O-])c(C)nn2C)s1 ZINC000127642181 401743921 /nfs/dbraw/zinc/74/39/21/401743921.db2.gz YXZCNZJAONUCHQ-UHFFFAOYSA-N -1 1 324.366 2.083 20 5 DEBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000070332846 402259346 /nfs/dbraw/zinc/25/93/46/402259346.db2.gz WOTXSRJWGVCAMD-UHFFFAOYSA-N -1 1 308.315 2.410 20 5 DEBDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000126150796 402266742 /nfs/dbraw/zinc/26/67/42/402266742.db2.gz YBYJEFPWRAJSOT-UHFFFAOYSA-N -1 1 310.335 2.242 20 5 DEBDMM O=C(NCCOC1CCCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185685959 402369451 /nfs/dbraw/zinc/36/94/51/402369451.db2.gz YAMQYOKYHMGSHB-UHFFFAOYSA-N -1 1 323.349 2.165 20 5 DEBDMM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263683384 402790457 /nfs/dbraw/zinc/79/04/57/402790457.db2.gz JTUVZWPBAZWZJS-SFYZADRCSA-N -1 1 304.755 2.183 20 5 DEBDMM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263683383 402790502 /nfs/dbraw/zinc/79/05/02/402790502.db2.gz JTUVZWPBAZWZJS-JGVFFNPUSA-N -1 1 304.755 2.183 20 5 DEBDMM C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC12CCC2 ZINC000278057370 402851593 /nfs/dbraw/zinc/85/15/93/402851593.db2.gz MPODQPBNDCWBOK-SNVBAGLBSA-N -1 1 305.334 2.348 20 5 DEBDMM CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1C ZINC000343225798 403502043 /nfs/dbraw/zinc/50/20/43/403502043.db2.gz HRWJNFMULSWHHC-UHFFFAOYSA-N -1 1 302.290 2.442 20 5 DEBDMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000352216431 404221681 /nfs/dbraw/zinc/22/16/81/404221681.db2.gz HBRNAWDMZDJHJA-XPUUQOCRSA-N -1 1 319.239 2.108 20 5 DEBDMM CC(C)c1nnc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cn21 ZINC000353351148 404809532 /nfs/dbraw/zinc/80/95/32/404809532.db2.gz MLTOBANLJBNFKU-UHFFFAOYSA-N -1 1 314.305 2.341 20 5 DEBDMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000436516858 405095190 /nfs/dbraw/zinc/09/51/90/405095190.db2.gz XJDINNAROAFBGI-UHFFFAOYSA-N -1 1 322.298 2.401 20 5 DEBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000445174062 405347925 /nfs/dbraw/zinc/34/79/25/405347925.db2.gz AZTNDLHOOXQMQR-VIFPVBQESA-N -1 1 319.292 2.368 20 5 DEBDMM CC1(C)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCS1 ZINC000279660335 278256190 /nfs/dbraw/zinc/25/61/90/278256190.db2.gz IJYYIMAFALFSGD-UHFFFAOYSA-N -1 1 311.363 2.053 20 5 DEBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000827444337 603541685 /nfs/dbraw/zinc/54/16/85/603541685.db2.gz GKYZENILUCOSEX-NSHDSACASA-N -1 1 323.349 2.083 20 5 DEBDMM CC[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820979330 606710356 /nfs/dbraw/zinc/71/03/56/606710356.db2.gz GYKRTRZAVOAJCW-JTQLQIEISA-N -1 1 317.353 2.186 20 5 DEBDMM CC[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820979330 606710357 /nfs/dbraw/zinc/71/03/57/606710357.db2.gz GYKRTRZAVOAJCW-JTQLQIEISA-N -1 1 317.353 2.186 20 5 DEBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000769047689 641160922 /nfs/dbraw/zinc/16/09/22/641160922.db2.gz KESRAKGQESRLQC-UHFFFAOYSA-N -1 1 301.254 2.340 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCF)cc1F ZINC000867287369 650669296 /nfs/dbraw/zinc/66/92/96/650669296.db2.gz CZHNLVNLKMNTDB-UHFFFAOYSA-N -1 1 308.306 2.070 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000785343021 643222788 /nfs/dbraw/zinc/22/27/88/643222788.db2.gz KWRNFIXKCBYPFC-GDGBQDQQSA-N -1 1 316.766 2.325 20 5 DEBDMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])c(N)c([N+](=O)[O-])c1 ZINC000790063044 643812390 /nfs/dbraw/zinc/81/23/90/643812390.db2.gz NQURRUMECNLBKZ-UHFFFAOYSA-N -1 1 322.708 2.492 20 5 DEBDMM C[C@@H]1CC=CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000908335687 644824031 /nfs/dbraw/zinc/82/40/31/644824031.db2.gz GGNVUUUMXAIRKZ-RKDXNWHRSA-N -1 1 302.377 2.289 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC(C)(C)F)cc1F ZINC000867513925 687718836 /nfs/dbraw/zinc/71/88/36/687718836.db2.gz HNSYQWADZOEJDP-UHFFFAOYSA-N -1 1 322.333 2.459 20 5 DEBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(C3CC3)s2)n1 ZINC001437181465 1179521009 /nfs/dbraw/zinc/52/10/09/1179521009.db2.gz LGEQCNGAMNPMHK-UHFFFAOYSA-N -1 1 305.319 2.279 20 5 DEBDMM COc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)cc([N+](=O)[O-])c1C ZINC001170228038 786872988 /nfs/dbraw/zinc/87/29/88/786872988.db2.gz BBZOBTJESGCHDA-UHFFFAOYSA-N -1 1 316.277 2.027 20 5 DEBDMM CC(C)(C)c1cnc([N-]c2nccnc2CN)c([N+](=O)[O-])c1 ZINC001171444458 792911784 /nfs/dbraw/zinc/91/17/84/792911784.db2.gz LRXQBNQHWSKGBZ-UHFFFAOYSA-N -1 1 302.338 2.280 20 5 DEBDMM O=C1CC(Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229805966 801322741 /nfs/dbraw/zinc/32/27/41/801322741.db2.gz QXQSPLHGSQTQFE-UHFFFAOYSA-N -1 1 312.277 2.468 20 5 DEBDMM COC(=O)[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001231258593 801619938 /nfs/dbraw/zinc/61/99/38/801619938.db2.gz ADQBKONGAGBTJL-ZDUSSCGKSA-N -1 1 318.285 2.297 20 5 DEBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC3CC(O)C3)c12 ZINC001218261113 802161752 /nfs/dbraw/zinc/16/17/52/802161752.db2.gz CUZONWOUYCWUKX-UHFFFAOYSA-N -1 1 314.293 2.260 20 5 DEBDMM CC(C)Oc1cc(COc2[n-]ccc(=O)c2[N+](=O)[O-])ccn1 ZINC001225665268 802999359 /nfs/dbraw/zinc/99/93/59/802999359.db2.gz XJFMUXMDSZOIFW-UHFFFAOYSA-N -1 1 305.290 2.457 20 5 DEBDMM C[C@H](Oc1[n-]c(=O)nc2c1COC2)c1cccc([N+](=O)[O-])c1 ZINC001227686399 803266112 /nfs/dbraw/zinc/26/61/12/803266112.db2.gz OHGMENQQLMYWRU-QMMMGPOBSA-N -1 1 303.274 2.261 20 5 DEBDMM C[C@@H](Oc1[n-]c(=O)nc2c1COC2)c1ccccc1[N+](=O)[O-] ZINC001227686382 803267048 /nfs/dbraw/zinc/26/70/48/803267048.db2.gz NUIRXECRDCSZBW-MRVPVSSYSA-N -1 1 303.274 2.261 20 5 DEBDMM COc1ccc2c(c1)CC[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001228139809 803324213 /nfs/dbraw/zinc/32/42/13/803324213.db2.gz ARKNBUIVXBOFAB-GFCCVEGCSA-N -1 1 317.301 2.035 20 5 DEBDMM C[C@@](CC(=O)[O-])(NCc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC001592329545 977760130 /nfs/dbraw/zinc/76/01/30/977760130.db2.gz ZEBLANAKEUXGLA-INIZCTEOSA-N -1 1 315.329 2.470 20 5 DEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(C3(O)CC3)CC2)c1 ZINC001602405594 1069629634 /nfs/dbraw/zinc/62/96/34/1069629634.db2.gz YRYDTJIQFUZWOL-UHFFFAOYSA-N -1 1 320.345 2.030 20 5 DEBDMM C[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccns1 ZINC001603678128 1070039500 /nfs/dbraw/zinc/03/95/00/1070039500.db2.gz DRAPBEOUFOYVSK-YFKPBYRVSA-N -1 1 323.363 2.466 20 5 DEBDMM C[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccns1 ZINC001603678128 1070039511 /nfs/dbraw/zinc/03/95/11/1070039511.db2.gz DRAPBEOUFOYVSK-YFKPBYRVSA-N -1 1 323.363 2.466 20 5 DEBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccn1 ZINC001603682077 1070042718 /nfs/dbraw/zinc/04/27/18/1070042718.db2.gz OBCFDVLVZHELDR-SECBINFHSA-N -1 1 311.305 2.343 20 5 DEBDMM C[C@H]1CCCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603890275 1070137180 /nfs/dbraw/zinc/13/71/80/1070137180.db2.gz JKKUYNOSJOZIGQ-JTQLQIEISA-N -1 1 302.338 2.401 20 5 DEBDMM C[C@H]1CCCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603890275 1070137188 /nfs/dbraw/zinc/13/71/88/1070137188.db2.gz JKKUYNOSJOZIGQ-JTQLQIEISA-N -1 1 302.338 2.401 20 5 DEBDMM CC[C@@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H]1C ZINC001604105192 1070221152 /nfs/dbraw/zinc/22/11/52/1070221152.db2.gz BRJYDESWQYECEL-JGVFFNPUSA-N -1 1 308.367 2.461 20 5 DEBDMM CC[C@@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H]1C ZINC001604105192 1070221160 /nfs/dbraw/zinc/22/11/60/1070221160.db2.gz BRJYDESWQYECEL-JGVFFNPUSA-N -1 1 308.367 2.461 20 5 DEBDMM Cc1cc(N2CCC[C@H]2C2CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605695075 1070853209 /nfs/dbraw/zinc/85/32/09/1070853209.db2.gz LIUKKJYNVPKQMV-ZDUSSCGKSA-N -1 1 314.349 2.462 20 5 DEBDMM Cc1cc(N2CCC[C@H]2C2CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605695075 1070853236 /nfs/dbraw/zinc/85/32/36/1070853236.db2.gz LIUKKJYNVPKQMV-ZDUSSCGKSA-N -1 1 314.349 2.462 20 5 DEBDMM Cc1cc(OCc2ccc(-c3nnn[n-]3)o2)c(F)cc1[N+](=O)[O-] ZINC001605747095 1070894757 /nfs/dbraw/zinc/89/47/57/1070894757.db2.gz DLHNNEINXRPQGY-UHFFFAOYSA-N -1 1 319.252 2.394 20 5 DEBDMM Cc1cc(OCc2ccc(-c3nn[n-]n3)o2)c(F)cc1[N+](=O)[O-] ZINC001605747095 1070894776 /nfs/dbraw/zinc/89/47/76/1070894776.db2.gz DLHNNEINXRPQGY-UHFFFAOYSA-N -1 1 319.252 2.394 20 5 DEBDMM O=[N+]([O-])c1cc(N[C@@H]2CCC[C@@H](F)C2)ccc1-c1nn[n-]n1 ZINC001607080503 1071290461 /nfs/dbraw/zinc/29/04/61/1071290461.db2.gz VEZODTRBBXYIIU-RKDXNWHRSA-N -1 1 306.301 2.468 20 5 DEBDMM CCc1nc([N-]C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)n[nH]1 ZINC001329167577 1148870750 /nfs/dbraw/zinc/87/07/50/1148870750.db2.gz OXWFFZQDVPDEJQ-UHFFFAOYSA-N -1 1 311.248 2.114 20 5 DEBDMM Cc1cnnn1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC001627438697 1078276661 /nfs/dbraw/zinc/27/66/61/1078276661.db2.gz QQFFHNHTLXLYBJ-UHFFFAOYSA-N -1 1 312.289 2.064 20 5 DEBDMM COC(=O)[C@@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC001637934841 1078540768 /nfs/dbraw/zinc/54/07/68/1078540768.db2.gz ZYQAAUABRKUMTO-VIFPVBQESA-N -1 1 317.301 2.452 20 5 DEBDMM O=C(Nc1cnn([C@H]2CCCCO2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001642384763 1078752766 /nfs/dbraw/zinc/75/27/66/1078752766.db2.gz AQENHOOHIAQKDE-GFCCVEGCSA-N -1 1 305.294 2.071 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H]1c1ccc(F)cc1 ZINC001557412599 1075064387 /nfs/dbraw/zinc/06/43/87/1075064387.db2.gz SXJXZXWNUHIWJK-LBPRGKRZSA-N -1 1 317.276 2.422 20 5 DEBDMM O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(F)c1[O-] ZINC001557958158 1075079191 /nfs/dbraw/zinc/07/91/91/1075079191.db2.gz XYBLRRBIPGHTRY-UHFFFAOYSA-N -1 1 305.265 2.490 20 5 DEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@]12C[C@H]1CCCC2 ZINC001587244065 1076414720 /nfs/dbraw/zinc/41/47/20/1076414720.db2.gz UZJHGNXYSOHPCX-ISOBSLSZSA-N -1 1 305.334 2.394 20 5 DEBDMM CC(C)OCCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589747228 1076508253 /nfs/dbraw/zinc/50/82/53/1076508253.db2.gz IOXWLSQSTMMOJV-UHFFFAOYSA-N -1 1 306.326 2.002 20 5 DEBDMM C[C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)O1 ZINC001590241720 1076595771 /nfs/dbraw/zinc/59/57/71/1076595771.db2.gz IQCIVSRJQJPSLM-KOLCDFICSA-N -1 1 318.337 2.144 20 5 DEBDMM C[C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)O1 ZINC001590241720 1076595774 /nfs/dbraw/zinc/59/57/74/1076595774.db2.gz IQCIVSRJQJPSLM-KOLCDFICSA-N -1 1 318.337 2.144 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001593489120 1077010680 /nfs/dbraw/zinc/01/06/80/1077010680.db2.gz WPNGMVPYLPUHIP-CSMHCCOUSA-N -1 1 306.351 2.437 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001593489120 1077010683 /nfs/dbraw/zinc/01/06/83/1077010683.db2.gz WPNGMVPYLPUHIP-CSMHCCOUSA-N -1 1 306.351 2.437 20 5 DEBDMM O=C([O-])COc1ccc(CNCc2cccs2)cc1[N+](=O)[O-] ZINC001602084919 1077504096 /nfs/dbraw/zinc/50/40/96/1077504096.db2.gz LOWABZAEZVVHAB-UHFFFAOYSA-N -1 1 322.342 2.410 20 5 DEBDMM O=C([O-])COc1ccc(CNCc2ccsc2)cc1[N+](=O)[O-] ZINC001608759694 1077689618 /nfs/dbraw/zinc/68/96/18/1077689618.db2.gz WBQBMOLMTWVGPJ-UHFFFAOYSA-N -1 1 322.342 2.410 20 5 DEBDMM CC[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001609199513 1077794706 /nfs/dbraw/zinc/79/47/06/1077794706.db2.gz YPBJYAIPMIXIKX-UWVGGRQHSA-N -1 1 318.337 2.144 20 5 DEBDMM CC[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001609199513 1077794709 /nfs/dbraw/zinc/79/47/09/1077794709.db2.gz YPBJYAIPMIXIKX-UWVGGRQHSA-N -1 1 318.337 2.144 20 5 DEBDMM CO[C@@H]([C@@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CC1 ZINC001609309516 1077828551 /nfs/dbraw/zinc/82/85/51/1077828551.db2.gz QUAOAHMUBVYYEY-OQPBUACISA-N -1 1 318.337 2.000 20 5 DEBDMM O=C(NCC1C[C@H]2CC[C@@H](C1)S2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001654808500 1079977368 /nfs/dbraw/zinc/97/73/68/1079977368.db2.gz IFROQWGQVVJGLN-UQPYNNQESA-N -1 1 323.374 2.099 20 5 DEBDMM O=C1CC(Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234748637 1084204540 /nfs/dbraw/zinc/20/45/40/1084204540.db2.gz USDCGYJOVIQJKA-UHFFFAOYSA-N -1 1 312.277 2.468 20 5 DEBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@@H]1COC[C@H]1F ZINC001234880342 1084226369 /nfs/dbraw/zinc/22/63/69/1084226369.db2.gz BSMCHROBTCVSDR-HZGVNTEJSA-N -1 1 322.086 2.179 20 5 DEBDMM CN(C)c1cccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1 ZINC001212892985 1087756205 /nfs/dbraw/zinc/75/62/05/1087756205.db2.gz HIVGBUMYWUCPLB-UHFFFAOYSA-N -1 1 300.278 2.101 20 5 DEBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc(C2CC2)no1 ZINC001273389297 1091124948 /nfs/dbraw/zinc/12/49/48/1091124948.db2.gz MGZIDLGPGYZSKP-UHFFFAOYSA-N -1 1 304.262 2.116 20 5 DEBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC(F)F ZINC001303155469 1147321009 /nfs/dbraw/zinc/32/10/09/1147321009.db2.gz DTCRBVYTJTYFEZ-UHFFFAOYSA-N -1 1 303.265 2.107 20 5 DEBDMM CCc1cccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC001309639924 1147505582 /nfs/dbraw/zinc/50/55/82/1147505582.db2.gz WMFIJLKKFQKSLV-UHFFFAOYSA-N -1 1 321.358 2.031 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000597692012 358979721 /nfs/dbraw/zinc/97/97/21/358979721.db2.gz IWCDHINCAQPMPT-UHFFFAOYSA-N -1 1 304.306 2.248 20 5 DEBDMM CC1(c2ccccc2)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000598779320 359325291 /nfs/dbraw/zinc/32/52/91/359325291.db2.gz AVRUIOCGRFGDIQ-UHFFFAOYSA-N -1 1 313.313 2.109 20 5 DEBDMM CCCO[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000188447607 200248123 /nfs/dbraw/zinc/24/81/23/200248123.db2.gz NYJFWAVZEPRTRC-LBPRGKRZSA-N -1 1 323.349 2.117 20 5 DEBDMM CCc1ccccc1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610264777 361376225 /nfs/dbraw/zinc/37/62/25/361376225.db2.gz XZWFAZFRELTADG-UHFFFAOYSA-N -1 1 321.358 2.031 20 5 DEBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000610263670 361376486 /nfs/dbraw/zinc/37/64/86/361376486.db2.gz URVNZZMLWDIYLP-VWYCJHECSA-N -1 1 313.379 2.093 20 5 DEBDMM O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])Nc1ncccc1[O-] ZINC000492527370 249082955 /nfs/dbraw/zinc/08/29/55/249082955.db2.gz DWXDPNIAMNDICV-GQCTYLIASA-N -1 1 303.249 2.486 20 5 DEBDMM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000357401407 133075967 /nfs/dbraw/zinc/07/59/67/133075967.db2.gz PCLMOTDHTBFHAW-UHFFFAOYSA-N -1 1 300.274 2.060 20 5 DEBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1[O-] ZINC000080004075 401886159 /nfs/dbraw/zinc/88/61/59/401886159.db2.gz XZCXBTAYRXNAAR-UHFFFAOYSA-N -1 1 304.277 2.412 20 5 DEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)F)ccc1Cl ZINC000037326241 401912577 /nfs/dbraw/zinc/91/25/77/401912577.db2.gz RQCCYFSBPNADRG-UHFFFAOYSA-N -1 1 318.660 2.089 20 5 DEBDMM CCC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000136646950 401970686 /nfs/dbraw/zinc/97/06/86/401970686.db2.gz BWVFRBMQQVMQIA-SNVBAGLBSA-N -1 1 324.728 2.033 20 5 DEBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc([O-])cc1F ZINC000154619011 402222005 /nfs/dbraw/zinc/22/20/05/402222005.db2.gz AMTDYRDHYKUSHB-UHFFFAOYSA-N -1 1 319.292 2.281 20 5 DEBDMM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nccs1 ZINC000182924775 402727319 /nfs/dbraw/zinc/72/73/19/402727319.db2.gz XDHYNUDVKKBCRB-MRVPVSSYSA-N -1 1 322.346 2.028 20 5 DEBDMM CC(C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n[nH]1 ZINC000270821160 403228146 /nfs/dbraw/zinc/22/81/46/403228146.db2.gz ZIYFVVJHTYOJNK-QMMMGPOBSA-N -1 1 319.321 2.033 20 5 DEBDMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000332669364 403595330 /nfs/dbraw/zinc/59/53/30/403595330.db2.gz RNFYLRDJBMWMNV-JFGNBEQYSA-N -1 1 305.334 2.394 20 5 DEBDMM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000340478231 403624122 /nfs/dbraw/zinc/62/41/22/403624122.db2.gz DDYAPOYSEQBUSW-UHFFFAOYSA-N -1 1 303.274 2.270 20 5 DEBDMM COC(=O)c1cnc([N-]c2cnn(C(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC000302786829 403726598 /nfs/dbraw/zinc/72/65/98/403726598.db2.gz WOWAJQZTOPVZJF-UHFFFAOYSA-N -1 1 319.321 2.472 20 5 DEBDMM CC1(CC(F)(F)F)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000412412796 404289409 /nfs/dbraw/zinc/28/94/09/404289409.db2.gz SHOPQBNLUYZAED-UHFFFAOYSA-N -1 1 319.239 2.110 20 5 DEBDMM Cn1ncc2c1nc(Oc1ccc(Cl)cc1[N+](=O)[O-])[n-]c2=O ZINC000356524148 404570669 /nfs/dbraw/zinc/57/06/69/404570669.db2.gz MZZPOUOHMHYFLL-UHFFFAOYSA-N -1 1 321.680 2.423 20 5 DEBDMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000436670271 405121427 /nfs/dbraw/zinc/12/14/27/405121427.db2.gz DLUXCUGOCBAUST-JTQLQIEISA-N -1 1 314.297 2.361 20 5 DEBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000438230556 405238845 /nfs/dbraw/zinc/23/88/45/405238845.db2.gz ZRLRUEVRHJKBSH-UHFFFAOYSA-N -1 1 324.362 2.298 20 5 DEBDMM C[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])c2c([O-])cccc21 ZINC000547760288 406442688 /nfs/dbraw/zinc/44/26/88/406442688.db2.gz KBRNJVVJKBZJMZ-MRVPVSSYSA-N -1 1 302.290 2.178 20 5 DEBDMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000440127481 279914375 /nfs/dbraw/zinc/91/43/75/279914375.db2.gz UCRCLDAJLCHIQX-GMTAPVOTSA-N -1 1 305.334 2.394 20 5 DEBDMM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577269083 326354164 /nfs/dbraw/zinc/35/41/64/326354164.db2.gz SJYSKXYOUMADBK-SECBINFHSA-N -1 1 301.368 2.093 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccn1 ZINC000577345295 326358392 /nfs/dbraw/zinc/35/83/92/326358392.db2.gz FTNDBGLDLBUFEH-LBPRGKRZSA-N -1 1 314.301 2.068 20 5 DEBDMM COC1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCC(C)CC1 ZINC000360467964 536673567 /nfs/dbraw/zinc/67/35/67/536673567.db2.gz HPDUWHGFQCZEOX-UHFFFAOYSA-N -1 1 323.349 2.021 20 5 DEBDMM CCC[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821039141 606719214 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DEBDMM CSc1nc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[nH]1 ZINC000340268393 274189707 /nfs/dbraw/zinc/18/97/07/274189707.db2.gz WLQNTPABMNRROB-UHFFFAOYSA-N -1 1 319.302 2.433 20 5 DEBDMM COCCNc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000360088106 536896353 /nfs/dbraw/zinc/89/63/53/536896353.db2.gz NHVIQYXIGGXRFW-UHFFFAOYSA-N -1 1 304.306 2.234 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000738374987 599324947 /nfs/dbraw/zinc/32/49/47/599324947.db2.gz WWTYKDIKGPTMNE-UHFFFAOYSA-N -1 1 302.225 2.101 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000738374987 599324949 /nfs/dbraw/zinc/32/49/49/599324949.db2.gz WWTYKDIKGPTMNE-UHFFFAOYSA-N -1 1 302.225 2.101 20 5 DEBDMM CN(Cc1ccccc1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825981459 607448573 /nfs/dbraw/zinc/44/85/73/607448573.db2.gz SIDWGFJPDCICJE-UHFFFAOYSA-N -1 1 310.317 2.411 20 5 DEBDMM CN(Cc1ccccc1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825981459 607448576 /nfs/dbraw/zinc/44/85/76/607448576.db2.gz SIDWGFJPDCICJE-UHFFFAOYSA-N -1 1 310.317 2.411 20 5 DEBDMM CCC[C@](C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000829193805 601007719 /nfs/dbraw/zinc/00/77/19/601007719.db2.gz JGMWAVOZHGTCER-HNNXBMFYSA-N -1 1 323.349 2.075 20 5 DEBDMM O=C([O-])N1CC[C@@H](N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000834082423 605781703 /nfs/dbraw/zinc/78/17/03/605781703.db2.gz DMERGRREFZOTBR-CQSZACIVSA-N -1 1 305.334 2.312 20 5 DEBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(C)(C)C ZINC000820280424 606710465 /nfs/dbraw/zinc/71/04/65/606710465.db2.gz FVAYHCVQJLPAMP-MRVPVSSYSA-N -1 1 305.342 2.264 20 5 DEBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(C)(C)C ZINC000820280424 606710466 /nfs/dbraw/zinc/71/04/66/606710466.db2.gz FVAYHCVQJLPAMP-MRVPVSSYSA-N -1 1 305.342 2.264 20 5 DEBDMM O=[N+]([O-])c1ccccc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826500673 607864026 /nfs/dbraw/zinc/86/40/26/607864026.db2.gz HSFQCFSVIUQGPX-UHFFFAOYSA-N -1 1 315.264 2.493 20 5 DEBDMM O=[N+]([O-])c1ccccc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826500673 607864025 /nfs/dbraw/zinc/86/40/25/607864025.db2.gz HSFQCFSVIUQGPX-UHFFFAOYSA-N -1 1 315.264 2.493 20 5 DEBDMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc([N+](=O)[O-])c1 ZINC000824662867 607897070 /nfs/dbraw/zinc/89/70/70/607897070.db2.gz SRALCNMVFGGKRS-VIFPVBQESA-N -1 1 311.305 2.343 20 5 DEBDMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC000824662867 607897071 /nfs/dbraw/zinc/89/70/71/607897071.db2.gz SRALCNMVFGGKRS-VIFPVBQESA-N -1 1 311.305 2.343 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CC12CCCCC2 ZINC000826497898 608195089 /nfs/dbraw/zinc/19/50/89/608195089.db2.gz YARHRQQSIAPWGA-JTQLQIEISA-N -1 1 315.337 2.305 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CC12CCCCC2 ZINC000826497898 608195091 /nfs/dbraw/zinc/19/50/91/608195091.db2.gz YARHRQQSIAPWGA-JTQLQIEISA-N -1 1 315.337 2.305 20 5 DEBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCS1 ZINC000921716869 634807276 /nfs/dbraw/zinc/80/72/76/634807276.db2.gz OXJYXUOAJPZEDZ-SFYZADRCSA-N -1 1 322.433 2.219 20 5 DEBDMM Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 ZINC000743751731 638170774 /nfs/dbraw/zinc/17/07/74/638170774.db2.gz UZWZFGJXFMVCOD-UHFFFAOYSA-N -1 1 323.290 2.224 20 5 DEBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000744473796 638223112 /nfs/dbraw/zinc/22/31/12/638223112.db2.gz LZVGNLLEOVPQMA-UHFFFAOYSA-N -1 1 319.269 2.496 20 5 DEBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)[n-]1 ZINC000761483367 640317371 /nfs/dbraw/zinc/31/73/71/640317371.db2.gz WADPHKBTOFXUEH-UHFFFAOYSA-N -1 1 323.272 2.221 20 5 DEBDMM CC(C)(C)c1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)no1 ZINC000769050372 641161651 /nfs/dbraw/zinc/16/16/51/641161651.db2.gz UJEMGLIHVZJYLW-UHFFFAOYSA-N -1 1 321.289 2.338 20 5 DEBDMM O=C(OCc1cn2ccsc2n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780068145 642580728 /nfs/dbraw/zinc/58/07/28/642580728.db2.gz KPGIOEYXNNVHPD-UHFFFAOYSA-N -1 1 319.298 2.367 20 5 DEBDMM O=C(OCCO[C@@H]1CCCCO1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000792034119 644065075 /nfs/dbraw/zinc/06/50/75/644065075.db2.gz HDLZSKPOKFEKNZ-CYBMUJFWSA-N -1 1 311.290 2.000 20 5 DEBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cnn2cccnc12 ZINC000912907810 646202588 /nfs/dbraw/zinc/20/25/88/646202588.db2.gz VKWFXUFVXKWORA-UHFFFAOYSA-N -1 1 319.227 2.168 20 5 DEBDMM CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C ZINC000918033725 648050372 /nfs/dbraw/zinc/05/03/72/648050372.db2.gz VJBRKGSFISKNCR-UHFFFAOYSA-N -1 1 302.290 2.442 20 5 DEBDMM C[C@@]1(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000846397460 651328048 /nfs/dbraw/zinc/32/80/48/651328048.db2.gz BDFAKSWXZDBLCK-VXGBXAGGSA-N -1 1 317.704 2.130 20 5 DEBDMM O=C([N-]c1cc2oc(=O)[nH]c2cc1F)c1ccc([N+](=O)[O-])o1 ZINC001300589447 1151890178 /nfs/dbraw/zinc/89/01/78/1151890178.db2.gz LUIRPJSKPWLQKL-UHFFFAOYSA-N -1 1 307.193 2.426 20 5 DEBDMM Cn1cccc1[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001440713893 1181648310 /nfs/dbraw/zinc/64/83/10/1181648310.db2.gz JYCKTMVCSBQNDU-GFCCVEGCSA-N -1 1 316.317 2.011 20 5 DEBDMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccs1 ZINC001444136557 1183295677 /nfs/dbraw/zinc/29/56/77/1183295677.db2.gz MWMYJFFOWJSDMZ-UHFFFAOYSA-N -1 1 307.331 2.422 20 5 DEBDMM COc1ccc(CNC(=O)c2ccc([O-])cc2F)cc1[N+](=O)[O-] ZINC001141987436 796704834 /nfs/dbraw/zinc/70/48/34/796704834.db2.gz FEYZJKZOXIEZBS-UHFFFAOYSA-N -1 1 320.276 2.378 20 5 DEBDMM CCOC(=O)N1CCC(Oc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001229394704 801268916 /nfs/dbraw/zinc/26/89/16/801268916.db2.gz BALIWPSBLGOFNK-UHFFFAOYSA-N -1 1 310.306 2.300 20 5 DEBDMM CN(C)c1nc(Nc2cc(F)cc([N+](=O)[O-])c2)c(N=O)c(=O)[n-]1 ZINC001216482793 801979604 /nfs/dbraw/zinc/97/96/04/801979604.db2.gz SBKKHWKXEWALRX-UHFFFAOYSA-N -1 1 322.256 2.437 20 5 DEBDMM O=[N+]([O-])c1cc2nc(O[C@@H]3COC[C@H]3F)[n-]c2cc1Cl ZINC001233497664 802133948 /nfs/dbraw/zinc/13/39/48/802133948.db2.gz HDAHCZGHRVKHKO-LHLIQPBNSA-N -1 1 301.661 2.240 20 5 DEBDMM O=c1cc[n-]c(OC[C@H]2CC[C@]3(CCCCO3)O2)c1[N+](=O)[O-] ZINC001225666675 802999124 /nfs/dbraw/zinc/99/91/24/802999124.db2.gz KUTHOCYDWJONFU-YGRLFVJLSA-N -1 1 310.306 2.150 20 5 DEBDMM O=c1cc(O[C@H](C[N+](=O)[O-])C2CC2)nc(-c2ccccc2)[n-]1 ZINC001226185560 803067680 /nfs/dbraw/zinc/06/76/80/803067680.db2.gz ZLVQHVVKPBZNGT-GFCCVEGCSA-N -1 1 301.302 2.283 20 5 DEBDMM C[C@H](Oc1[n-]c(=O)nc2c1COC2)c1ccccc1[N+](=O)[O-] ZINC001227686383 803266467 /nfs/dbraw/zinc/26/64/67/803266467.db2.gz NUIRXECRDCSZBW-QMMMGPOBSA-N -1 1 303.274 2.261 20 5 DEBDMM O=c1[n-]cnc(O[C@H]2C[C@@H](OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228142160 803325331 /nfs/dbraw/zinc/32/53/31/803325331.db2.gz ZLACFVRGWTVSCO-TXEJJXNPSA-N -1 1 317.301 2.217 20 5 DEBDMM CC1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCOCC1 ZINC001603805868 1070107350 /nfs/dbraw/zinc/10/73/50/1070107350.db2.gz DFWXUMVXWROPGP-UHFFFAOYSA-N -1 1 324.366 2.065 20 5 DEBDMM CC1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCOCC1 ZINC001603805868 1070107355 /nfs/dbraw/zinc/10/73/55/1070107355.db2.gz DFWXUMVXWROPGP-UHFFFAOYSA-N -1 1 324.366 2.065 20 5 DEBDMM C[C@H]1C[C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001603849981 1070122033 /nfs/dbraw/zinc/12/20/33/1070122033.db2.gz AVRJJFJWWUKBRI-UWVGGRQHSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1 ZINC001603860817 1070122710 /nfs/dbraw/zinc/12/27/10/1070122710.db2.gz AUJUQHKLKLWVHO-BDAKNGLRSA-N -1 1 320.378 2.471 20 5 DEBDMM C[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1 ZINC001603860817 1070122714 /nfs/dbraw/zinc/12/27/14/1070122714.db2.gz AUJUQHKLKLWVHO-BDAKNGLRSA-N -1 1 320.378 2.471 20 5 DEBDMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CS1 ZINC001603861572 1070124878 /nfs/dbraw/zinc/12/48/78/1070124878.db2.gz MGATUFONZQQCBK-APPZFPTMSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@H]1SCC[C@H]1Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603955649 1070158536 /nfs/dbraw/zinc/15/85/36/1070158536.db2.gz LIXPZSUXOGBKQI-VXNVDRBHSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@H]1SCC[C@H]1Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603955649 1070158542 /nfs/dbraw/zinc/15/85/42/1070158542.db2.gz LIXPZSUXOGBKQI-VXNVDRBHSA-N -1 1 306.351 2.081 20 5 DEBDMM CC[C@H](CSC)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604038868 1070182123 /nfs/dbraw/zinc/18/21/23/1070182123.db2.gz BFWUKNARXOOLTN-MRVPVSSYSA-N -1 1 308.367 2.328 20 5 DEBDMM CC[C@H](CSC)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604038868 1070182129 /nfs/dbraw/zinc/18/21/29/1070182129.db2.gz BFWUKNARXOOLTN-MRVPVSSYSA-N -1 1 308.367 2.328 20 5 DEBDMM C[C@@H](Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])c1nnc[nH]1 ZINC001604363126 1070350670 /nfs/dbraw/zinc/35/06/70/1070350670.db2.gz IJQYAJVYDXUZBH-RXMQYKEDSA-N -1 1 311.685 2.238 20 5 DEBDMM Cc1csc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001606005367 1071005223 /nfs/dbraw/zinc/00/52/23/1071005223.db2.gz SKOALIWTLALLKP-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM Cc1csc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001606005367 1071005241 /nfs/dbraw/zinc/00/52/41/1071005241.db2.gz SKOALIWTLALLKP-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)cc1-c1nnn[n-]1 ZINC001607081400 1071291097 /nfs/dbraw/zinc/29/10/97/1071291097.db2.gz BWBABABIYKCRTC-HLUHBDAQSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)cc1-c1nn[n-]n1 ZINC001607081400 1071291104 /nfs/dbraw/zinc/29/11/04/1071291104.db2.gz BWBABABIYKCRTC-HLUHBDAQSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC(CCF)CC1 ZINC001607076546 1071287842 /nfs/dbraw/zinc/28/78/42/1071287842.db2.gz QBSXJUXNEXQEGA-UHFFFAOYSA-N -1 1 320.328 2.351 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC(CCF)CC1 ZINC001607076546 1071287846 /nfs/dbraw/zinc/28/78/46/1071287846.db2.gz QBSXJUXNEXQEGA-UHFFFAOYSA-N -1 1 320.328 2.351 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1C[C@@H]2CCCC[C@@H]21 ZINC001607086542 1071293775 /nfs/dbraw/zinc/29/37/75/1071293775.db2.gz ZLUPIFAIXRZLAM-YUMQZZPRSA-N 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/nfs/dbraw/zinc/07/42/16/597074216.db2.gz JBYIANDUWFKMCB-SNVBAGLBSA-N -1 1 319.317 2.423 20 5 DEBDMM C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000833812365 605597445 /nfs/dbraw/zinc/59/74/45/605597445.db2.gz IYHVNRSNZGCHBT-QWRGUYRKSA-N -1 1 323.349 2.169 20 5 DEBDMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC000834096238 605966643 /nfs/dbraw/zinc/96/66/43/605966643.db2.gz UQFPADBSYZLRKO-OLZOCXBDSA-N -1 1 305.334 2.312 20 5 DEBDMM O=[N+]([O-])c1cc(N2CCc3ccccc3C2)ccc1-c1nn[n-]n1 ZINC000823635209 606644561 /nfs/dbraw/zinc/64/45/61/606644561.db2.gz TZBFRTYTAKUPLA-UHFFFAOYSA-N -1 1 322.328 2.338 20 5 DEBDMM CCC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1 ZINC000820967951 606717723 /nfs/dbraw/zinc/71/77/23/606717723.db2.gz ZMGNUHXFUZNHFS-UHFFFAOYSA-N -1 1 303.326 2.162 20 5 DEBDMM CCC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1 ZINC000820967951 606717725 /nfs/dbraw/zinc/71/77/25/606717725.db2.gz ZMGNUHXFUZNHFS-UHFFFAOYSA-N -1 1 303.326 2.162 20 5 DEBDMM CCc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821491931 607160984 /nfs/dbraw/zinc/16/09/84/607160984.db2.gz CZUSCGQGVNHOAZ-UHFFFAOYSA-N -1 1 311.305 2.476 20 5 DEBDMM CCc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821491931 607160987 /nfs/dbraw/zinc/16/09/87/607160987.db2.gz CZUSCGQGVNHOAZ-UHFFFAOYSA-N -1 1 311.305 2.476 20 5 DEBDMM O=[N+]([O-])c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)nc1 ZINC000826499556 607867390 /nfs/dbraw/zinc/86/73/90/607867390.db2.gz NJDRRSVGGKPWFH-UHFFFAOYSA-N -1 1 302.225 2.101 20 5 DEBDMM O=[N+]([O-])c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)nc1 ZINC000826499556 607867391 /nfs/dbraw/zinc/86/73/91/607867391.db2.gz NJDRRSVGGKPWFH-UHFFFAOYSA-N -1 1 302.225 2.101 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC12CCC(CC1)C2 ZINC000826497644 607935497 /nfs/dbraw/zinc/93/54/97/607935497.db2.gz OGIPRWAEGAKXHU-UHFFFAOYSA-N -1 1 315.337 2.162 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC12CCC(CC1)C2 ZINC000826497644 607935498 /nfs/dbraw/zinc/93/54/98/607935498.db2.gz OGIPRWAEGAKXHU-UHFFFAOYSA-N -1 1 315.337 2.162 20 5 DEBDMM CC(C)C1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000175831501 625188956 /nfs/dbraw/zinc/18/89/56/625188956.db2.gz WMCDDJZHRNVYQA-UHFFFAOYSA-N -1 1 316.354 2.448 20 5 DEBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc3n(n2)CCCC3)c1F ZINC000839440439 637878416 /nfs/dbraw/zinc/87/84/16/637878416.db2.gz SKHMBUXUPYYEAU-UHFFFAOYSA-N -1 1 319.296 2.222 20 5 DEBDMM O=C(CCCNc1ccc([N+](=O)[O-])cc1)[N-]OCC(F)(F)F ZINC000766769338 640913612 /nfs/dbraw/zinc/91/36/12/640913612.db2.gz RHCHFMPANQMGAA-UHFFFAOYSA-N -1 1 321.255 2.397 20 5 DEBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(O)c2F)cs1 ZINC000768886151 641139771 /nfs/dbraw/zinc/13/97/71/641139771.db2.gz AGRMUHQYLVCVRM-UHFFFAOYSA-N -1 1 318.307 2.302 20 5 DEBDMM CC(=O)Nc1ccc(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000770397650 641365374 /nfs/dbraw/zinc/36/53/74/641365374.db2.gz WCLBTXMMVSSWSJ-UHFFFAOYSA-N -1 1 316.269 2.478 20 5 DEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(F)(C2CC2)CC1 ZINC000900702145 642447266 /nfs/dbraw/zinc/44/72/66/642447266.db2.gz XBXJNTXFCUZFHR-UHFFFAOYSA-N -1 1 309.297 2.050 20 5 DEBDMM CCOc1nc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])co1 ZINC000790929939 643909840 /nfs/dbraw/zinc/90/98/40/643909840.db2.gz KQRBCGOERFWJQV-UHFFFAOYSA-N -1 1 307.262 2.242 20 5 DEBDMM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)[N-]OC/C=C/Cl ZINC000794294938 644391465 /nfs/dbraw/zinc/39/14/65/644391465.db2.gz ZIJHPESSGOCIED-OWOJBTEDSA-N -1 1 306.652 2.216 20 5 DEBDMM COC(=O)c1ccc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000796347613 644723691 /nfs/dbraw/zinc/72/36/91/644723691.db2.gz ZDFCECIKIFBRFC-UHFFFAOYSA-N -1 1 318.285 2.109 20 5 DEBDMM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000226236439 646564910 /nfs/dbraw/zinc/56/49/10/646564910.db2.gz JDBWMTFVEUKPBG-MRVPVSSYSA-N -1 1 302.327 2.058 20 5 DEBDMM O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000917898009 648038936 /nfs/dbraw/zinc/03/89/36/648038936.db2.gz NMZJZDXBHQRMNS-UHFFFAOYSA-N -1 1 316.317 2.012 20 5 DEBDMM CC(C)C(C)(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000698035342 781594581 /nfs/dbraw/zinc/59/45/81/781594581.db2.gz YYFBDDVSBDXYJL-UHFFFAOYSA-N -1 1 304.343 2.447 20 5 DEBDMM Nc1ccccc1S(=O)(=O)[N-]c1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175902364 794312838 /nfs/dbraw/zinc/31/28/38/794312838.db2.gz FORXWCVZSGHCHM-MDZDMXLPSA-N -1 1 319.342 2.317 20 5 DEBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[n-][nH]c1=O ZINC001183563748 795890670 /nfs/dbraw/zinc/89/06/70/795890670.db2.gz WNSDKPNVLSLANE-SNVBAGLBSA-N -1 1 304.306 2.231 20 5 DEBDMM CC[C@@H](O)C(=O)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518108 801288375 /nfs/dbraw/zinc/28/83/75/801288375.db2.gz RGKBHPCPJSYXTI-CYBMUJFWSA-N -1 1 314.293 2.328 20 5 DEBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CCC(O)CC1 ZINC001218367239 802173642 /nfs/dbraw/zinc/17/36/42/802173642.db2.gz MFUBEIKHLYLTKB-UHFFFAOYSA-N -1 1 322.239 2.397 20 5 DEBDMM Cc1ccccc1OC[C@@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141648 803325664 /nfs/dbraw/zinc/32/56/64/803325664.db2.gz SQQXTRDLQWHMAC-SNVBAGLBSA-N -1 1 305.290 2.245 20 5 DEBDMM CCc1n[nH]c(Sc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])n1 ZINC001597736021 989083329 /nfs/dbraw/zinc/08/33/29/989083329.db2.gz OBZIMIRUAMJSGC-UHFFFAOYSA-N -1 1 308.319 2.433 20 5 DEBDMM CCc1nc(Sc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])n[nH]1 ZINC001597736021 989083336 /nfs/dbraw/zinc/08/33/36/989083336.db2.gz OBZIMIRUAMJSGC-UHFFFAOYSA-N -1 1 308.319 2.433 20 5 DEBDMM C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594264952 999024203 /nfs/dbraw/zinc/02/42/03/999024203.db2.gz AZMYDRFBZHVOEN-DDFAGTSDSA-N -1 1 308.334 2.027 20 5 DEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C(F)F)C2)c1 ZINC001602405459 1069628689 /nfs/dbraw/zinc/62/86/89/1069628689.db2.gz UGWNSOXUZYLNHC-SECBINFHSA-N -1 1 300.261 2.380 20 5 DEBDMM CC1(C)C[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001603765775 1070086999 /nfs/dbraw/zinc/08/69/99/1070086999.db2.gz XMSKLTVZXUIXHZ-SNVBAGLBSA-N -1 1 318.337 2.144 20 5 DEBDMM CC[C@H]1C[C@@H](C)CN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604096877 1070211676 /nfs/dbraw/zinc/21/16/76/1070211676.db2.gz KLKXIGZKFJKCRG-SFYZADRCSA-N -1 1 308.367 2.461 20 5 DEBDMM CC[C@H]1C[C@@H](C)CN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604096877 1070211684 /nfs/dbraw/zinc/21/16/84/1070211684.db2.gz KLKXIGZKFJKCRG-SFYZADRCSA-N -1 1 308.367 2.461 20 5 DEBDMM CO[C@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)CC(C)C ZINC001605008548 1070568511 /nfs/dbraw/zinc/56/85/11/1070568511.db2.gz JDTSFGHPFHUSJJ-NSHDSACASA-N -1 1 320.353 2.248 20 5 DEBDMM O=[N+]([O-])c1cc(Sc2ccncc2)ccc1-c1nnn[n-]1 ZINC001607078859 1071287971 /nfs/dbraw/zinc/28/79/71/1071287971.db2.gz ASMANIBEFNTZDH-UHFFFAOYSA-N -1 1 300.303 2.321 20 5 DEBDMM O=[N+]([O-])c1cc(Sc2ccncc2)ccc1-c1nn[n-]n1 ZINC001607078859 1071287978 /nfs/dbraw/zinc/28/79/78/1071287978.db2.gz ASMANIBEFNTZDH-UHFFFAOYSA-N -1 1 300.303 2.321 20 5 DEBDMM O=[N+]([O-])c1c(NCCc2ccco2)cccc1-c1nnn[n-]1 ZINC001607078426 1071288236 /nfs/dbraw/zinc/28/82/36/1071288236.db2.gz ZFWXFFVQSSQJAL-UHFFFAOYSA-N -1 1 300.278 2.023 20 5 DEBDMM O=[N+]([O-])c1c(NCCc2ccco2)cccc1-c1nn[n-]n1 ZINC001607078426 1071288250 /nfs/dbraw/zinc/28/82/50/1071288250.db2.gz ZFWXFFVQSSQJAL-UHFFFAOYSA-N -1 1 300.278 2.023 20 5 DEBDMM Cc1conc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001531634861 1071547824 /nfs/dbraw/zinc/54/78/24/1071547824.db2.gz ORLAFHXUXZGRRR-UHFFFAOYSA-N -1 1 319.273 2.305 20 5 DEBDMM COc1cc(C(=O)Nc2nc(C)ccc2[O-])c([N+](=O)[O-])cc1F ZINC001467592752 1059668235 /nfs/dbraw/zinc/66/82/35/1059668235.db2.gz QAHHIOKYZYUXPE-UHFFFAOYSA-N -1 1 321.264 2.404 20 5 DEBDMM C[C@H]1C[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC001469956115 1060030118 /nfs/dbraw/zinc/03/01/18/1060030118.db2.gz YYFJAPCFYPJGTR-URLYPYJESA-N -1 1 307.350 2.498 20 5 DEBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc([O-])c1F ZINC001624392625 1078221054 /nfs/dbraw/zinc/22/10/54/1078221054.db2.gz LXKCHAWCZNTUJH-UHFFFAOYSA-N -1 1 319.292 2.281 20 5 DEBDMM Cc1nnc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1C1CC1 ZINC001636255850 1078472041 /nfs/dbraw/zinc/47/20/41/1078472041.db2.gz HHYJZFPAWBMYGC-UHFFFAOYSA-N -1 1 305.269 2.221 20 5 DEBDMM CCON(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001642249876 1078748044 /nfs/dbraw/zinc/74/80/44/1078748044.db2.gz OUSRGUIBLXYRFC-UHFFFAOYSA-N -1 1 317.301 2.289 20 5 DEBDMM C[S@](=N)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC001556986213 1075052360 /nfs/dbraw/zinc/05/23/60/1075052360.db2.gz NZVWKBXYORZRLZ-NRFANRHFSA-N -1 1 308.319 2.211 20 5 DEBDMM O=C(NCC1CCC2(CC2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001559021942 1075111102 /nfs/dbraw/zinc/11/11/02/1075111102.db2.gz PKPFYTXSVBICQQ-UHFFFAOYSA-N -1 1 305.334 2.396 20 5 DEBDMM C[C@@H](N(C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1(C)CC1 ZINC001589912283 1076527986 /nfs/dbraw/zinc/52/79/86/1076527986.db2.gz JBGVRYJMWKTUIY-SECBINFHSA-N -1 1 302.338 2.400 20 5 DEBDMM C[C@@H](N(C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1(C)CC1 ZINC001589912283 1076527993 /nfs/dbraw/zinc/52/79/93/1076527993.db2.gz JBGVRYJMWKTUIY-SECBINFHSA-N -1 1 302.338 2.400 20 5 DEBDMM CC1(C)C[C@]1(C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590087824 1076558697 /nfs/dbraw/zinc/55/86/97/1076558697.db2.gz ZBTSLZONBGWPAL-CYBMUJFWSA-N -1 1 303.326 2.018 20 5 DEBDMM CC1(C)C[C@]1(C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590087824 1076558700 /nfs/dbraw/zinc/55/87/00/1076558700.db2.gz ZBTSLZONBGWPAL-CYBMUJFWSA-N -1 1 303.326 2.018 20 5 DEBDMM CC1(C)SC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590118660 1076568182 /nfs/dbraw/zinc/56/81/82/1076568182.db2.gz VHROJKROEQBPPM-SNVBAGLBSA-N -1 1 306.351 2.081 20 5 DEBDMM CC1(C)SC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590118660 1076568183 /nfs/dbraw/zinc/56/81/83/1076568183.db2.gz VHROJKROEQBPPM-SNVBAGLBSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CS1 ZINC001590207669 1076584048 /nfs/dbraw/zinc/58/40/48/1076584048.db2.gz HJGHVTOUERJVDA-APPZFPTMSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CS1 ZINC001590207669 1076584052 /nfs/dbraw/zinc/58/40/52/1076584052.db2.gz HJGHVTOUERJVDA-APPZFPTMSA-N -1 1 306.351 2.081 20 5 DEBDMM COC(C)(C)CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591316134 1076720140 /nfs/dbraw/zinc/72/01/40/1076720140.db2.gz AYXIKGIBWAYKPL-UHFFFAOYSA-N -1 1 306.326 2.002 20 5 DEBDMM COC(C)(C)CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591316134 1076720141 /nfs/dbraw/zinc/72/01/41/1076720141.db2.gz AYXIKGIBWAYKPL-UHFFFAOYSA-N -1 1 306.326 2.002 20 5 DEBDMM Cc1cc(NC[C@H]2CCSC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592045746 1076837222 /nfs/dbraw/zinc/83/72/22/1076837222.db2.gz YQAJBGOHJFYJRL-SECBINFHSA-N -1 1 320.378 2.248 20 5 DEBDMM Cc1cc(NC[C@H]2CCSC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592045746 1076837226 /nfs/dbraw/zinc/83/72/26/1076837226.db2.gz YQAJBGOHJFYJRL-SECBINFHSA-N -1 1 320.378 2.248 20 5 DEBDMM Cc1cc([N+](=O)[O-])cnc1NCc1ccc(-c2nn[n-]n2)s1 ZINC001592070881 1076842426 /nfs/dbraw/zinc/84/24/26/1076842426.db2.gz VJSQQCJHCZJYQS-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM O=[N+]([O-])c1c(NC(C2CC2)C2CC2)cccc1-c1nnn[n-]1 ZINC001593466313 1077005130 /nfs/dbraw/zinc/00/51/30/1077005130.db2.gz XWRUEUQEGKWFSY-UHFFFAOYSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1c(NC(C2CC2)C2CC2)cccc1-c1nn[n-]n1 ZINC001593466313 1077005136 /nfs/dbraw/zinc/00/51/36/1077005136.db2.gz XWRUEUQEGKWFSY-UHFFFAOYSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1c(S[C@H]2CCCOC2)cccc1-c1nnn[n-]1 ZINC001593468333 1077006152 /nfs/dbraw/zinc/00/61/52/1077006152.db2.gz DGLPBXMLQXHXEA-QMMMGPOBSA-N -1 1 307.335 2.046 20 5 DEBDMM O=[N+]([O-])c1c(S[C@H]2CCCOC2)cccc1-c1nn[n-]n1 ZINC001593468333 1077006161 /nfs/dbraw/zinc/00/61/61/1077006161.db2.gz DGLPBXMLQXHXEA-QMMMGPOBSA-N -1 1 307.335 2.046 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@H]1CCSC1 ZINC001593489272 1077010641 /nfs/dbraw/zinc/01/06/41/1077010641.db2.gz YVMYAZKUMUSAEA-ZCFIWIBFSA-N -1 1 312.380 2.001 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@H]1CCSC1 ZINC001593489272 1077010644 /nfs/dbraw/zinc/01/06/44/1077010644.db2.gz YVMYAZKUMUSAEA-ZCFIWIBFSA-N -1 1 312.380 2.001 20 5 DEBDMM O=C([O-])CN(Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001602060081 1077501880 /nfs/dbraw/zinc/50/18/80/1077501880.db2.gz MJADCXRPABZKSI-UHFFFAOYSA-N -1 1 316.313 2.387 20 5 DEBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@@H](C)[C@H]1C ZINC001609175522 1077785324 /nfs/dbraw/zinc/78/53/24/1077785324.db2.gz SNXVHWTWSUGLDA-UTLUCORTSA-N -1 1 302.338 2.256 20 5 DEBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@@H](C)[C@H]1C ZINC001609175522 1077785325 /nfs/dbraw/zinc/78/53/25/1077785325.db2.gz SNXVHWTWSUGLDA-UTLUCORTSA-N -1 1 302.338 2.256 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1cc(-c2nnn[n-]2)ncn1 ZINC001609601119 1077881250 /nfs/dbraw/zinc/88/12/50/1077881250.db2.gz BBABZMKKHJJLAR-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1cc(-c2nn[n-]n2)ncn1 ZINC001609601119 1077881252 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DEBDMM CCOC(=O)c1nnc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)[n-]1 ZINC001186990112 796465112 /nfs/dbraw/zinc/46/51/12/796465112.db2.gz QSUDHAYRFPOAFV-VIFPVBQESA-N -1 1 319.321 2.371 20 5 DEBDMM CCOC(=O)c1n[n-]c([C@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC001186990112 796465119 /nfs/dbraw/zinc/46/51/19/796465119.db2.gz QSUDHAYRFPOAFV-VIFPVBQESA-N -1 1 319.321 2.371 20 5 DEBDMM Nc1nc(Cl)n(-c2cc([O-])cc([N+](=O)[O-])c2)c2nccc1-2 ZINC001199818808 798536437 /nfs/dbraw/zinc/53/64/37/798536437.db2.gz DXRNQSJWRMEIHR-UHFFFAOYSA-N -1 1 305.681 2.222 20 5 DEBDMM O=c1nc2nc[nH]c2c(Nc2nc3ccccc3cc2[N+](=O)[O-])[n-]1 ZINC001159197933 798537095 /nfs/dbraw/zinc/53/70/95/798537095.db2.gz FVJWNSBWYUSAAH-UHFFFAOYSA-N -1 1 323.272 2.259 20 5 DEBDMM CCOC(=O)[C@@H]1CC[C@@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231265127 801621374 /nfs/dbraw/zinc/62/13/74/801621374.db2.gz YUJZHRHCCDTTKM-NXEZZACHSA-N -1 1 310.306 2.114 20 5 DEBDMM COC(=O)[C@@H]1CCC[C@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231264519 801621396 /nfs/dbraw/zinc/62/13/96/801621396.db2.gz RTECOHGGPQEVBW-ZJUUUORDSA-N -1 1 310.306 2.114 20 5 DEBDMM CCOC(=O)[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225662099 802998253 /nfs/dbraw/zinc/99/82/53/802998253.db2.gz QRRGXJBTVQBNKL-ZDUSSCGKSA-N -1 1 318.285 2.379 20 5 DEBDMM CCOC(=O)[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225662099 802998257 /nfs/dbraw/zinc/99/82/57/802998257.db2.gz QRRGXJBTVQBNKL-ZDUSSCGKSA-N -1 1 318.285 2.379 20 5 DEBDMM COC(=O)[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001225666810 802999938 /nfs/dbraw/zinc/99/99/38/802999938.db2.gz MWANMNXLDZCKQW-LBPRGKRZSA-N -1 1 322.248 2.128 20 5 DEBDMM COC(=O)[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001225666810 802999943 /nfs/dbraw/zinc/99/99/43/802999943.db2.gz MWANMNXLDZCKQW-LBPRGKRZSA-N -1 1 322.248 2.128 20 5 DEBDMM O=c1[n-]cnc(O[C@@H]2CCc3c2nccc3Cl)c1[N+](=O)[O-] ZINC001228142576 803325406 /nfs/dbraw/zinc/32/54/06/803325406.db2.gz FKLLVUXCFGGPAQ-MRVPVSSYSA-N -1 1 308.681 2.205 20 5 DEBDMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001589280487 953500042 /nfs/dbraw/zinc/50/00/42/953500042.db2.gz FRSQUZADGHPYEX-UWVGGRQHSA-N -1 1 318.333 2.014 20 5 DEBDMM C[C@H](N(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1(C)CC1 ZINC001603598256 1070003287 /nfs/dbraw/zinc/00/32/87/1070003287.db2.gz HGWVLQWYTBHGJN-VIFPVBQESA-N -1 1 302.338 2.400 20 5 DEBDMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CS1 ZINC001603861576 1070125334 /nfs/dbraw/zinc/12/53/34/1070125334.db2.gz MGATUFONZQQCBK-VXNVDRBHSA-N -1 1 306.351 2.081 20 5 DEBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2C2CC2)cc1-c1nnn[n-]1 ZINC001607081712 1071289742 /nfs/dbraw/zinc/28/97/42/1071289742.db2.gz FWVSGJFUQYAIHE-LBPRGKRZSA-N -1 1 300.322 2.154 20 5 DEBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2C2CC2)cc1-c1nn[n-]n1 ZINC001607081712 1071289754 /nfs/dbraw/zinc/28/97/54/1071289754.db2.gz FWVSGJFUQYAIHE-LBPRGKRZSA-N -1 1 300.322 2.154 20 5 DEBDMM Cc1nc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1[N+](=O)[O-] ZINC001457298390 1057967688 /nfs/dbraw/zinc/96/76/88/1057967688.db2.gz WOEOLNZGGPMJKU-UHFFFAOYSA-N -1 1 324.296 2.392 20 5 DEBDMM C[C@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H](C)C1 ZINC001472597747 1060550612 /nfs/dbraw/zinc/55/06/12/1060550612.db2.gz UOCKJKXOCZNGFF-URLYPYJESA-N -1 1 307.350 2.498 20 5 DEBDMM COc1cnc([C@@H]2CCCN2c2ccccc2[N+](=O)[O-])[n-]c1=O ZINC001472895645 1060605272 /nfs/dbraw/zinc/60/52/72/1060605272.db2.gz AWPYFUJKLMFIRV-LBPRGKRZSA-N -1 1 316.317 2.441 20 5 DEBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncsc2C2CC2)n1 ZINC001537286505 1072305092 /nfs/dbraw/zinc/30/50/92/1072305092.db2.gz DUYKZAQKHYUPJN-UHFFFAOYSA-N -1 1 307.335 2.397 20 5 DEBDMM COCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OC ZINC001631182671 1078359297 /nfs/dbraw/zinc/35/92/97/1078359297.db2.gz AIBFFXJMSUHCBC-UHFFFAOYSA-N -1 1 305.290 2.330 20 5 DEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](c2cnccn2)C1 ZINC001644672271 1078854941 /nfs/dbraw/zinc/85/49/41/1078854941.db2.gz KHAHBKBWLZLJOS-LLVKDONJSA-N -1 1 300.318 2.080 20 5 DEBDMM C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1cccs1 ZINC001561482871 1075153900 /nfs/dbraw/zinc/15/39/00/1075153900.db2.gz JVVMAPHMALTEJJ-MRVPVSSYSA-N -1 1 313.360 2.091 20 5 DEBDMM Cc1ccoc1CN(C)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001581305959 1076063809 /nfs/dbraw/zinc/06/38/09/1076063809.db2.gz MIZNSAALAHPEEZ-UHFFFAOYSA-N -1 1 314.305 2.313 20 5 DEBDMM Cc1ccoc1CN(C)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001581305959 1076063811 /nfs/dbraw/zinc/06/38/11/1076063811.db2.gz MIZNSAALAHPEEZ-UHFFFAOYSA-N -1 1 314.305 2.313 20 5 DEBDMM CC(C)[C@]1(C)C[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589490671 1076492892 /nfs/dbraw/zinc/49/28/92/1076492892.db2.gz MSIHJYXBMVJGIK-FZMZJTMJSA-N -1 1 317.353 2.204 20 5 DEBDMM CC(C)[C@]1(C)C[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589490671 1076492896 /nfs/dbraw/zinc/49/28/96/1076492896.db2.gz MSIHJYXBMVJGIK-FZMZJTMJSA-N -1 1 317.353 2.204 20 5 DEBDMM CC1(C)CC[C@@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])O1 ZINC001590090420 1076560137 /nfs/dbraw/zinc/56/01/37/1076560137.db2.gz ISGQKLMNVLNFCQ-ZETCQYMHSA-N -1 1 324.366 2.206 20 5 DEBDMM CC1(C)CC[C@@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])O1 ZINC001590090420 1076560144 /nfs/dbraw/zinc/56/01/44/1076560144.db2.gz ISGQKLMNVLNFCQ-ZETCQYMHSA-N -1 1 324.366 2.206 20 5 DEBDMM CC1=C[C@H](C)CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001590158063 1076576041 /nfs/dbraw/zinc/57/60/41/1076576041.db2.gz UIOMVPROWZVUAQ-VIFPVBQESA-N -1 1 300.322 2.177 20 5 DEBDMM C[C@H]1CC(C)(C)CN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590189436 1076580155 /nfs/dbraw/zinc/58/01/55/1076580155.db2.gz CNAMMDXRAUJTRO-ZETCQYMHSA-N -1 1 308.367 2.461 20 5 DEBDMM C[C@H]1CC(C)(C)CN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590189436 1076580159 /nfs/dbraw/zinc/58/01/59/1076580159.db2.gz CNAMMDXRAUJTRO-ZETCQYMHSA-N -1 1 308.367 2.461 20 5 DEBDMM C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CS1 ZINC001590207675 1076584172 /nfs/dbraw/zinc/58/41/72/1076584172.db2.gz HJGHVTOUERJVDA-IONNQARKSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CS1 ZINC001590207675 1076584177 /nfs/dbraw/zinc/58/41/77/1076584177.db2.gz HJGHVTOUERJVDA-IONNQARKSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1(C)C ZINC001590278414 1076607191 /nfs/dbraw/zinc/60/71/91/1076607191.db2.gz ZXIWJFOSKXLYNC-VIFPVBQESA-N -1 1 317.353 2.042 20 5 DEBDMM C[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1(C)C ZINC001590278414 1076607192 /nfs/dbraw/zinc/60/71/92/1076607192.db2.gz ZXIWJFOSKXLYNC-VIFPVBQESA-N -1 1 317.353 2.042 20 5 DEBDMM CC[C@H](C)[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590402359 1076621236 /nfs/dbraw/zinc/62/12/36/1076621236.db2.gz YVZYBDGPKJPUSK-JGVFFNPUSA-N -1 1 305.342 2.204 20 5 DEBDMM CC[C@H](C)[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590402359 1076621237 /nfs/dbraw/zinc/62/12/37/1076621237.db2.gz YVZYBDGPKJPUSK-JGVFFNPUSA-N -1 1 305.342 2.204 20 5 DEBDMM CCC(O)(CC)CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590473392 1076635990 /nfs/dbraw/zinc/63/59/90/1076635990.db2.gz HJZCWWBLUIMQOI-UHFFFAOYSA-N -1 1 320.353 2.128 20 5 DEBDMM CCC(O)(CC)CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590473392 1076635993 /nfs/dbraw/zinc/63/59/93/1076635993.db2.gz HJZCWWBLUIMQOI-UHFFFAOYSA-N -1 1 320.353 2.128 20 5 DEBDMM CO[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(C)C ZINC001591349213 1076730036 /nfs/dbraw/zinc/73/00/36/1076730036.db2.gz FTIIPJMYEBGMHV-QWRGUYRKSA-N -1 1 318.337 2.000 20 5 DEBDMM CO[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(C)C ZINC001591349213 1076730039 /nfs/dbraw/zinc/73/00/39/1076730039.db2.gz FTIIPJMYEBGMHV-QWRGUYRKSA-N -1 1 318.337 2.000 20 5 DEBDMM CSC(C)(C)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591685181 1076771434 /nfs/dbraw/zinc/77/14/34/1076771434.db2.gz STNTXWZDLKUFGZ-UHFFFAOYSA-N -1 1 308.367 2.328 20 5 DEBDMM CSC(C)(C)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591685181 1076771437 /nfs/dbraw/zinc/77/14/37/1076771437.db2.gz STNTXWZDLKUFGZ-UHFFFAOYSA-N -1 1 308.367 2.328 20 5 DEBDMM CSC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591693084 1076774228 /nfs/dbraw/zinc/77/42/28/1076774228.db2.gz ZNBIBKYYJSFNGQ-UHFFFAOYSA-N -1 1 306.351 2.082 20 5 DEBDMM CSC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591693084 1076774231 /nfs/dbraw/zinc/77/42/31/1076774231.db2.gz ZNBIBKYYJSFNGQ-UHFFFAOYSA-N -1 1 306.351 2.082 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1Cc2ccccc2CO1 ZINC001593465793 1077005850 /nfs/dbraw/zinc/00/58/50/1077005850.db2.gz GCDUIJVLWYPOGJ-UHFFFAOYSA-N -1 1 324.300 2.227 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1Cc2ccccc2CO1 ZINC001593465793 1077005853 /nfs/dbraw/zinc/00/58/53/1077005853.db2.gz GCDUIJVLWYPOGJ-UHFFFAOYSA-N -1 1 324.300 2.227 20 5 DEBDMM Cc1cc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccn1 ZINC001600204541 1077161086 /nfs/dbraw/zinc/16/10/86/1077161086.db2.gz ICBRLAJZYQKLBX-MRXNPFEDSA-N -1 1 315.329 2.388 20 5 DEBDMM 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2.104 20 5 DEBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1nnccc1-c1nnn[n-]1 ZINC001607078607 1071288912 /nfs/dbraw/zinc/28/89/12/1071288912.db2.gz IWTCICUTAFITAI-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1nnccc1-c1nn[n-]n1 ZINC001607078607 1071288917 /nfs/dbraw/zinc/28/89/17/1071288917.db2.gz IWTCICUTAFITAI-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM CSc1cccc(C(=O)Nc2c(C)[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001450483494 1056356328 /nfs/dbraw/zinc/35/63/28/1056356328.db2.gz LJLWNJPBUIBWME-UHFFFAOYSA-N -1 1 308.319 2.306 20 5 DEBDMM O=C([O-])[C@@H]1CCCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001610742050 1078070528 /nfs/dbraw/zinc/07/05/28/1078070528.db2.gz NYUHIBHYFLWDQC-ZDUSSCGKSA-N -1 1 318.333 2.300 20 5 DEBDMM CC1(C)C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCS1 ZINC001635974443 1078463492 /nfs/dbraw/zinc/46/34/92/1078463492.db2.gz MBFMZLWKBQCDTD-SECBINFHSA-N -1 1 311.363 2.099 20 5 DEBDMM Cn1cc(CSc2nc(C(F)F)cc(=O)[n-]2)c([N+](=O)[O-])n1 ZINC001641180079 1078697891 /nfs/dbraw/zinc/69/78/91/1078697891.db2.gz DEUJQLJOKCKMMG-UHFFFAOYSA-N -1 1 317.277 2.054 20 5 DEBDMM CC1(C)C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001590083293 1076557564 /nfs/dbraw/zinc/55/75/64/1076557564.db2.gz DDEKPABRMZOMHJ-SSDOTTSWSA-N -1 1 324.366 2.206 20 5 DEBDMM CC1(C)C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001590083293 1076557567 /nfs/dbraw/zinc/55/75/67/1076557567.db2.gz DDEKPABRMZOMHJ-SSDOTTSWSA-N -1 1 324.366 2.206 20 5 DEBDMM CC1(C)SC[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590119078 1076567824 /nfs/dbraw/zinc/56/78/24/1076567824.db2.gz XTWRCFUDJFKHMS-ZETCQYMHSA-N -1 1 312.380 2.142 20 5 DEBDMM CC1(C)SC[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590119078 1076567829 /nfs/dbraw/zinc/56/78/29/1076567829.db2.gz XTWRCFUDJFKHMS-ZETCQYMHSA-N -1 1 312.380 2.142 20 5 DEBDMM CCC[C@H](CC)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590553909 1076651335 /nfs/dbraw/zinc/65/13/35/1076651335.db2.gz MJUOMYPJHIZQDP-QMMMGPOBSA-N -1 1 305.342 2.348 20 5 DEBDMM CCC[C@H](CC)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590553909 1076651336 /nfs/dbraw/zinc/65/13/36/1076651336.db2.gz MJUOMYPJHIZQDP-QMMMGPOBSA-N -1 1 305.342 2.348 20 5 DEBDMM COCCC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591401284 1076741132 /nfs/dbraw/zinc/74/11/32/1076741132.db2.gz QXSPQOMDIMKZRG-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM COCCC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591401284 1076741134 /nfs/dbraw/zinc/74/11/34/1076741134.db2.gz QXSPQOMDIMKZRG-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM Cc1cc(N[C@H]2CSC2(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592040488 1076836529 /nfs/dbraw/zinc/83/65/29/1076836529.db2.gz ZHDZMMXYXAQHHL-JTQLQIEISA-N -1 1 320.378 2.389 20 5 DEBDMM Cc1cc(N[C@H]2CSC2(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592040488 1076836534 /nfs/dbraw/zinc/83/65/34/1076836534.db2.gz ZHDZMMXYXAQHHL-JTQLQIEISA-N -1 1 320.378 2.389 20 5 DEBDMM O=[N+]([O-])c1c(SCc2ccccn2)cccc1-c1nnn[n-]1 ZINC001593468456 1077005348 /nfs/dbraw/zinc/00/53/48/1077005348.db2.gz FVIMJOGMFXRJAL-UHFFFAOYSA-N -1 1 314.330 2.462 20 5 DEBDMM O=[N+]([O-])c1c(SCc2ccccn2)cccc1-c1nn[n-]n1 ZINC001593468456 1077005356 /nfs/dbraw/zinc/00/53/56/1077005356.db2.gz FVIMJOGMFXRJAL-UHFFFAOYSA-N -1 1 314.330 2.462 20 5 DEBDMM O=[N+]([O-])c1ccc(Oc2cnc(-c3nnn[n-]3)cn2)cc1Cl ZINC001593479306 1077009928 /nfs/dbraw/zinc/00/99/28/1077009928.db2.gz ATEKNCSEQGTLPX-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1ccc(Oc2cnc(-c3nn[n-]n3)cn2)cc1Cl ZINC001593479306 1077009933 /nfs/dbraw/zinc/00/99/33/1077009933.db2.gz ATEKNCSEQGTLPX-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001593489023 1077010691 /nfs/dbraw/zinc/01/06/91/1077010691.db2.gz SHWGOKLFTSJWSK-BWZBUEFSSA-N -1 1 306.351 2.437 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001593489023 1077010695 /nfs/dbraw/zinc/01/06/95/1077010695.db2.gz SHWGOKLFTSJWSK-BWZBUEFSSA-N -1 1 306.351 2.437 20 5 DEBDMM O=C([O-])COc1ccc(CN2CCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC001602083530 1077504312 /nfs/dbraw/zinc/50/43/12/1077504312.db2.gz QIMGZPUJRINHFP-UHFFFAOYSA-N -1 1 320.345 2.434 20 5 DEBDMM C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@@H]1C ZINC001609166918 1077781544 /nfs/dbraw/zinc/78/15/44/1077781544.db2.gz KAWBCHZMJUETMD-NXEZZACHSA-N -1 1 302.338 2.400 20 5 DEBDMM CC[C@@H]1[C@H](C)CCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609198550 1077795204 /nfs/dbraw/zinc/79/52/04/1077795204.db2.gz DDCZKAJMZQSUBI-BXKDBHETSA-N -1 1 302.338 2.400 20 5 DEBDMM Cc1nc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001610557843 1078041294 /nfs/dbraw/zinc/04/12/94/1078041294.db2.gz CEVRKNHNHIADFW-UHFFFAOYSA-N -1 1 323.286 2.016 20 5 DEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC001212893008 1087755737 /nfs/dbraw/zinc/75/57/37/1087755737.db2.gz IFVURMBYVPBDAT-UHFFFAOYSA-N -1 1 323.272 2.221 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCC(F)F ZINC001262192187 1144298339 /nfs/dbraw/zinc/29/83/39/1144298339.db2.gz WDPZAPGYZRINFP-UHFFFAOYSA-N -1 1 312.269 2.058 20 5 DEBDMM Cc1cc(S(=O)(=O)[N-]C/C=C/Cl)c(F)cc1[N+](=O)[O-] ZINC001309928218 1147510817 /nfs/dbraw/zinc/51/08/17/1147510817.db2.gz MVOOKXTUKONXBZ-NSCUHMNNSA-N -1 1 308.718 2.073 20 5 DEBDMM CC(C)Cc1nc(=NC(=O)c2cc(O)cc([N+](=O)[O-])c2)s[n-]1 ZINC000598191673 359118885 /nfs/dbraw/zinc/11/88/85/359118885.db2.gz QYXPLCPDFVBBSL-UHFFFAOYSA-N -1 1 322.346 2.025 20 5 DEBDMM O=C(N[C@H]1CCCc2occc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186882688 200026758 /nfs/dbraw/zinc/02/67/58/200026758.db2.gz YBLLZXSWNMAADR-JTQLQIEISA-N -1 1 303.274 2.096 20 5 DEBDMM CC[C@H](c1ccncc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187113323 200063189 /nfs/dbraw/zinc/06/31/89/200063189.db2.gz LZKSVLVMHGBBJX-GFCCVEGCSA-N -1 1 316.317 2.314 20 5 DEBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000600183375 359678621 /nfs/dbraw/zinc/67/86/21/359678621.db2.gz KZZHHHPTMNKHDH-YUMQZZPRSA-N -1 1 315.276 2.059 20 5 DEBDMM Cc1cc(C)cc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193613368 201088177 /nfs/dbraw/zinc/08/81/77/201088177.db2.gz SPELGKZBVLTBQV-UHFFFAOYSA-N -1 1 315.329 2.285 20 5 DEBDMM O=c1cc(C(F)F)nc(SCCn2ccc([N+](=O)[O-])n2)[n-]1 ZINC000289672549 221145334 /nfs/dbraw/zinc/14/53/34/221145334.db2.gz YTHVUQMLNRENNE-UHFFFAOYSA-N -1 1 317.277 2.017 20 5 DEBDMM CC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000340629772 132106251 /nfs/dbraw/zinc/10/62/51/132106251.db2.gz IVMVIGKSMSINNP-UHFFFAOYSA-N -1 1 302.290 2.442 20 5 DEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)s1 ZINC000564906893 292120040 /nfs/dbraw/zinc/12/00/40/292120040.db2.gz AZASSHZFMZYNOV-YUMQZZPRSA-N -1 1 308.356 2.215 20 5 DEBDMM O=C(NCc1coc2ccccc12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000358523005 147149718 /nfs/dbraw/zinc/14/97/18/147149718.db2.gz SBTQVDXAABBOKS-UHFFFAOYSA-N -1 1 313.269 2.372 20 5 DEBDMM CN(Cc1ccccc1F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186979982 402475956 /nfs/dbraw/zinc/47/59/56/402475956.db2.gz DECCGWPHBRBADI-UHFFFAOYSA-N -1 1 305.265 2.107 20 5 DEBDMM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000280821153 403040197 /nfs/dbraw/zinc/04/01/97/403040197.db2.gz UWYGLGMLLSUHQT-VXNVDRBHSA-N -1 1 304.755 2.325 20 5 DEBDMM C[C@@H]1CC(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000338651671 404461746 /nfs/dbraw/zinc/46/17/46/404461746.db2.gz QYLULPKNXNHFGC-NXEZZACHSA-N -1 1 323.349 2.019 20 5 DEBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000436505278 405091492 /nfs/dbraw/zinc/09/14/92/405091492.db2.gz NERHFPXOLQCVAX-UHFFFAOYSA-N -1 1 316.269 2.339 20 5 DEBDMM CN(C)C(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1F ZINC000438462094 405247495 /nfs/dbraw/zinc/24/74/95/405247495.db2.gz RRZOCVRWHHJWIE-UHFFFAOYSA-N -1 1 320.280 2.016 20 5 DEBDMM O=C(NCc1cnc2ccccc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445195042 405348717 /nfs/dbraw/zinc/34/87/17/405348717.db2.gz ZGWGQPGEPOXEFI-UHFFFAOYSA-N -1 1 324.296 2.174 20 5 DEBDMM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439968595 405298098 /nfs/dbraw/zinc/29/80/98/405298098.db2.gz RALRLJGDQGFDOF-SMDDNHRTSA-N -1 1 313.313 2.056 20 5 DEBDMM CC[C@@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(F)F ZINC000451087300 406046988 /nfs/dbraw/zinc/04/69/88/406046988.db2.gz UMQSZFZJQDTDRI-SNVBAGLBSA-N -1 1 322.333 2.100 20 5 DEBDMM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000519581263 406215884 /nfs/dbraw/zinc/21/58/84/406215884.db2.gz WAYQOTIKYMGHFX-GZMMTYOYSA-N -1 1 317.301 2.342 20 5 DEBDMM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525702509 406496537 /nfs/dbraw/zinc/49/65/37/406496537.db2.gz LZSNZKTWLWPHIH-GHMZBOCLSA-N -1 1 313.379 2.237 20 5 DEBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC000422016720 230051470 /nfs/dbraw/zinc/05/14/70/230051470.db2.gz QLODNDAQQJKKLT-UHFFFAOYSA-N -1 1 323.349 2.114 20 5 DEBDMM CS[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187106061 278144306 /nfs/dbraw/zinc/14/43/06/278144306.db2.gz NAFLCAJQKAENBF-NXEZZACHSA-N -1 1 311.363 2.099 20 5 DEBDMM O=C(N[C@@H]1CCCc2occc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000119360300 279892851 /nfs/dbraw/zinc/89/28/51/279892851.db2.gz VBGGZRLGLQPHKM-LLVKDONJSA-N -1 1 303.274 2.096 20 5 DEBDMM O=C(NC1CC(c2ccccc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000337301164 527484393 /nfs/dbraw/zinc/48/43/93/527484393.db2.gz OJJICFJXHLUERD-UHFFFAOYSA-N -1 1 313.313 2.371 20 5 DEBDMM CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC000825200809 607452108 /nfs/dbraw/zinc/45/21/08/607452108.db2.gz DHEVMNFFORZHOW-JTQLQIEISA-N -1 1 302.338 2.401 20 5 DEBDMM CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC000825200809 607452111 /nfs/dbraw/zinc/45/21/11/607452111.db2.gz DHEVMNFFORZHOW-JTQLQIEISA-N -1 1 302.338 2.401 20 5 DEBDMM Cc1cccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC000826298514 607452516 /nfs/dbraw/zinc/45/25/16/607452516.db2.gz WNOAPFHBQJFYRS-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1cccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC000826298514 607452518 /nfs/dbraw/zinc/45/25/18/607452518.db2.gz WNOAPFHBQJFYRS-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM O=C([O-])N1CC[C@@H](N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000834084804 605779605 /nfs/dbraw/zinc/77/96/05/605779605.db2.gz PBLVMYPOVRTJPC-CQSZACIVSA-N -1 1 305.334 2.312 20 5 DEBDMM O=C([O-])N1CC[C@H](N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000834082422 605781681 /nfs/dbraw/zinc/78/16/81/605781681.db2.gz DMERGRREFZOTBR-AWEZNQCLSA-N -1 1 305.334 2.312 20 5 DEBDMM CCC1(C)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820958752 606704502 /nfs/dbraw/zinc/70/45/02/606704502.db2.gz YXCOUQHCUXDYCS-UHFFFAOYSA-N -1 1 317.353 2.186 20 5 DEBDMM CCC1(C)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820958752 606704504 /nfs/dbraw/zinc/70/45/04/606704504.db2.gz YXCOUQHCUXDYCS-UHFFFAOYSA-N -1 1 317.353 2.186 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC1CC=CC1 ZINC000921619349 633792470 /nfs/dbraw/zinc/79/24/70/633792470.db2.gz AMOJQQQEUAZSRK-UHFFFAOYSA-N -1 1 314.338 2.369 20 5 DEBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2n[n-]c(=S)n2c1 ZINC000773694444 641813027 /nfs/dbraw/zinc/81/30/27/641813027.db2.gz XDAIWIDGRZNURH-UHFFFAOYSA-N -1 1 315.314 2.179 20 5 DEBDMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000902553448 643068287 /nfs/dbraw/zinc/06/82/87/643068287.db2.gz DSWUGQULBYZZKO-GBIKHYSHSA-N -1 1 310.737 2.401 20 5 DEBDMM CC(=O)Nc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cs1 ZINC000172688112 646747551 /nfs/dbraw/zinc/74/75/51/646747551.db2.gz RBSJBSHTKGBZRN-UHFFFAOYSA-N -1 1 324.293 2.401 20 5 DEBDMM CCO[N-]C(=O)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000846091233 651307043 /nfs/dbraw/zinc/30/70/43/651307043.db2.gz KLZPSJQAGBODCT-UHFFFAOYSA-N -1 1 322.148 2.059 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCSC[C@@H]1C1CC1 ZINC000888489125 651656865 /nfs/dbraw/zinc/65/68/65/651656865.db2.gz COKNVGJYTQXLEV-GFCCVEGCSA-N -1 1 323.374 2.053 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2nncn2C2CC2)c1F ZINC000854393908 652692522 /nfs/dbraw/zinc/69/25/22/652692522.db2.gz JRSIBXJYQRSZKT-UHFFFAOYSA-N -1 1 323.259 2.360 20 5 DEBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccnc1 ZINC000119356428 684080278 /nfs/dbraw/zinc/08/02/78/684080278.db2.gz HFPJFOXLUKXXDM-MRVPVSSYSA-N -1 1 313.360 2.091 20 5 DEBDMM O=C(OC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000873369003 689223414 /nfs/dbraw/zinc/22/34/14/689223414.db2.gz VAJXDQMDHBXJFL-HERUPUMHSA-N -1 1 307.302 2.415 20 5 DEBDMM O=C([N-]c1nocc1C1CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001133060971 788268508 /nfs/dbraw/zinc/26/85/08/788268508.db2.gz QHHKPHXXZQWRCW-UHFFFAOYSA-N -1 1 317.257 2.441 20 5 DEBDMM C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001138013911 796157902 /nfs/dbraw/zinc/15/79/02/796157902.db2.gz YPDCEUTWYKWDTK-GZMMTYOYSA-N -1 1 316.317 2.328 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)C2CC2)cc1F ZINC001185876932 796332177 /nfs/dbraw/zinc/33/21/77/796332177.db2.gz DJJSCTFDPSBRDN-VIFPVBQESA-N -1 1 316.354 2.367 20 5 DEBDMM O=C(NC[C@H]1C[C@@H]1C1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001159873590 798620380 /nfs/dbraw/zinc/62/03/80/798620380.db2.gz IICSUSDUMIMSDQ-ZYHUDNBSSA-N -1 1 305.334 2.252 20 5 DEBDMM Nc1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=O)cc1[N+](=O)[O-] ZINC001209934778 801309792 /nfs/dbraw/zinc/30/97/92/801309792.db2.gz POOVQYDHYOHNGA-UHFFFAOYSA-N -1 1 308.279 2.103 20 5 DEBDMM O=[N+]([O-])c1cc(Nc2cncc(N3CCOCC3)c2)ccc1[O-] ZINC001210396446 801391362 /nfs/dbraw/zinc/39/13/62/801391362.db2.gz RYJSOUUTEZVPSY-UHFFFAOYSA-N -1 1 316.317 2.276 20 5 DEBDMM CC(C)OC(=O)COc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233499571 802135971 /nfs/dbraw/zinc/13/59/71/802135971.db2.gz OUEOKBTWBOWIMT-UHFFFAOYSA-N -1 1 313.697 2.455 20 5 DEBDMM O=c1cc[n-]c(OC[C@H]2CC[C@@]3(CCCCO3)O2)c1[N+](=O)[O-] ZINC001225666674 802999496 /nfs/dbraw/zinc/99/94/96/802999496.db2.gz KUTHOCYDWJONFU-QMTHXVAHSA-N -1 1 310.306 2.150 20 5 DEBDMM O=c1[n-]cnc(O[C@H](c2cccnc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001228141510 803323913 /nfs/dbraw/zinc/32/39/13/803323913.db2.gz RCHWHPXCPDRKCD-MRVPVSSYSA-N -1 1 316.195 2.168 20 5 DEBDMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001589280489 953499055 /nfs/dbraw/zinc/49/90/55/953499055.db2.gz FRSQUZADGHPYEX-VHSXEESVSA-N -1 1 318.333 2.014 20 5 DEBDMM COc1cc([N+](=O)[O-])ccc1CN1CCC(C)(C(=O)[O-])CC1 ZINC001604739368 973950050 /nfs/dbraw/zinc/95/00/50/973950050.db2.gz WGLQNLFOKFWKIC-UHFFFAOYSA-N -1 1 308.334 2.290 20 5 DEBDMM C[C@@H](CO)C1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001592758198 979344359 /nfs/dbraw/zinc/34/43/59/979344359.db2.gz PYGRFKMWWNGPBX-NSHDSACASA-N -1 1 322.361 2.133 20 5 DEBDMM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC001598507437 992523597 /nfs/dbraw/zinc/52/35/97/992523597.db2.gz QNWJZSJOVXWFJI-SWLSCSKDSA-N -1 1 322.361 2.276 20 5 DEBDMM CCOC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)C ZINC001604422388 1070378032 /nfs/dbraw/zinc/37/80/32/1070378032.db2.gz SERYKEHXDHGRFD-GFCCVEGCSA-N -1 1 320.353 2.248 20 5 DEBDMM CCOC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)C ZINC001604422388 1070378052 /nfs/dbraw/zinc/37/80/52/1070378052.db2.gz SERYKEHXDHGRFD-GFCCVEGCSA-N -1 1 320.353 2.248 20 5 DEBDMM Nc1cc(NC2CCCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451130 1071147551 /nfs/dbraw/zinc/14/75/51/1071147551.db2.gz LXOLBHVPRACRFT-UHFFFAOYSA-N -1 1 303.326 2.102 20 5 DEBDMM Nc1cc(NC2CCCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451130 1071147554 /nfs/dbraw/zinc/14/75/54/1071147554.db2.gz LXOLBHVPRACRFT-UHFFFAOYSA-N -1 1 303.326 2.102 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]3CCC[C@@H]32)cccc1-c1nnn[n-]1 ZINC001607078132 1071287592 /nfs/dbraw/zinc/28/75/92/1071287592.db2.gz LCLBHKMNOBHGCT-VDDIYKPWSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@H]3CCC[C@@H]32)cccc1-c1nn[n-]n1 ZINC001607078132 1071287602 /nfs/dbraw/zinc/28/76/02/1071287602.db2.gz LCLBHKMNOBHGCT-VDDIYKPWSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1ccc(NCC[C@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC001607082920 1071291434 /nfs/dbraw/zinc/29/14/34/1071291434.db2.gz WRRXUHJVDBXNPP-LLVKDONJSA-N -1 1 318.337 2.146 20 5 DEBDMM O=[N+]([O-])c1ccc(NCC[C@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC001607082920 1071291444 /nfs/dbraw/zinc/29/14/44/1071291444.db2.gz WRRXUHJVDBXNPP-LLVKDONJSA-N -1 1 318.337 2.146 20 5 DEBDMM O=[N+]([O-])c1ccc(NCC[C@@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC001607082921 1071290094 /nfs/dbraw/zinc/29/00/94/1071290094.db2.gz WRRXUHJVDBXNPP-NSHDSACASA-N -1 1 318.337 2.146 20 5 DEBDMM O=[N+]([O-])c1ccc(NCC[C@@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC001607082921 1071290111 /nfs/dbraw/zinc/29/01/11/1071290111.db2.gz WRRXUHJVDBXNPP-NSHDSACASA-N -1 1 318.337 2.146 20 5 DEBDMM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCOC2)cc1-c1nnn[n-]1 ZINC001607082693 1071291708 /nfs/dbraw/zinc/29/17/08/1071291708.db2.gz SDKOVCOOIAZFDF-SNVBAGLBSA-N -1 1 318.337 2.004 20 5 DEBDMM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC001607082693 1071291712 /nfs/dbraw/zinc/29/17/12/1071291712.db2.gz SDKOVCOOIAZFDF-SNVBAGLBSA-N -1 1 318.337 2.004 20 5 DEBDMM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001472577848 1060541582 /nfs/dbraw/zinc/54/15/82/1060541582.db2.gz BLCHAHIIZLJXEG-CMPLNLGQSA-N -1 1 305.334 2.252 20 5 DEBDMM CCOc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2NC)on1 ZINC001638896543 1078586870 /nfs/dbraw/zinc/58/68/70/1078586870.db2.gz UCVBNZZVWMVYFX-UHFFFAOYSA-N -1 1 306.278 2.276 20 5 DEBDMM Cc1nnc(Sc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC001581611824 1076085094 /nfs/dbraw/zinc/08/50/94/1076085094.db2.gz GRDLGYHSFRUTKM-UHFFFAOYSA-N -1 1 321.347 2.086 20 5 DEBDMM Cc1nnc(Sc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC001581611824 1076085101 /nfs/dbraw/zinc/08/51/01/1076085101.db2.gz GRDLGYHSFRUTKM-UHFFFAOYSA-N -1 1 321.347 2.086 20 5 DEBDMM C[C@@H](Cc1ccco1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589903165 1076526680 /nfs/dbraw/zinc/52/66/80/1076526680.db2.gz SNORHYVWMVIWKQ-VIFPVBQESA-N -1 1 314.305 2.411 20 5 DEBDMM C[C@@H](Cc1ccco1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589903165 1076526687 /nfs/dbraw/zinc/52/66/87/1076526687.db2.gz SNORHYVWMVIWKQ-VIFPVBQESA-N -1 1 314.305 2.411 20 5 DEBDMM C[C@@H]1CC(C)(C)CN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590192486 1076581098 /nfs/dbraw/zinc/58/10/98/1076581098.db2.gz LYDJGWYFVNEPTI-SECBINFHSA-N -1 1 302.338 2.400 20 5 DEBDMM C[C@@H]1CC(C)(C)CN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590192486 1076581100 /nfs/dbraw/zinc/58/11/00/1076581100.db2.gz LYDJGWYFVNEPTI-SECBINFHSA-N -1 1 302.338 2.400 20 5 DEBDMM C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCS1 ZINC001590210101 1076583839 /nfs/dbraw/zinc/58/38/39/1076583839.db2.gz VZMNUOQTELIFBL-WPRPVWTQSA-N -1 1 320.378 2.471 20 5 DEBDMM C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCS1 ZINC001590210101 1076583844 /nfs/dbraw/zinc/58/38/44/1076583844.db2.gz VZMNUOQTELIFBL-WPRPVWTQSA-N -1 1 320.378 2.471 20 5 DEBDMM Cc1cc(N2C[C@H](C)[C@@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592000195 1076828742 /nfs/dbraw/zinc/82/87/42/1076828742.db2.gz YTCZTAWJCHUNED-UWVGGRQHSA-N -1 1 302.338 2.176 20 5 DEBDMM Cc1cc(N2C[C@H](C)[C@@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592000195 1076828745 /nfs/dbraw/zinc/82/87/45/1076828745.db2.gz YTCZTAWJCHUNED-UWVGGRQHSA-N -1 1 302.338 2.176 20 5 DEBDMM O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccsc1-c1nnn[n-]1 ZINC001593239997 1076983418 /nfs/dbraw/zinc/98/34/18/1076983418.db2.gz AHASZKLGSGQMAK-UHFFFAOYSA-N -1 1 316.302 2.089 20 5 DEBDMM O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccsc1-c1nn[n-]n1 ZINC001593239997 1076983419 /nfs/dbraw/zinc/98/34/19/1076983419.db2.gz AHASZKLGSGQMAK-UHFFFAOYSA-N -1 1 316.302 2.089 20 5 DEBDMM O=[N+]([O-])c1c(NCc2cccc(O)c2)cccc1-c1nnn[n-]1 ZINC001593469450 1077007158 /nfs/dbraw/zinc/00/71/58/1077007158.db2.gz REBQYIMDPLGZEN-UHFFFAOYSA-N -1 1 312.289 2.093 20 5 DEBDMM O=[N+]([O-])c1c(NCc2cccc(O)c2)cccc1-c1nn[n-]n1 ZINC001593469450 1077007162 /nfs/dbraw/zinc/00/71/62/1077007162.db2.gz REBQYIMDPLGZEN-UHFFFAOYSA-N -1 1 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1077872375 /nfs/dbraw/zinc/87/23/75/1077872375.db2.gz FARFYSNHGDXZAH-UHFFFAOYSA-N -1 1 317.353 2.349 20 5 DEBDMM O=[N+]([O-])c1cc(N2CCC(F)(F)CC2)ccc1-c1nn[n-]n1 ZINC001609601284 1077881286 /nfs/dbraw/zinc/88/12/86/1077881286.db2.gz VOHZWNICNXNCTA-UHFFFAOYSA-N -1 1 310.264 2.010 20 5 DEBDMM O=C(Nc1c[n-][nH]c1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001648816486 1082096456 /nfs/dbraw/zinc/09/64/56/1082096456.db2.gz WMHCHRQEVYUIQL-UHFFFAOYSA-N -1 1 316.195 2.295 20 5 DEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(F)cc(F)c2F)no1 ZINC001212892945 1087758476 /nfs/dbraw/zinc/75/84/76/1087758476.db2.gz FCWFDRDLCFDYTD-UHFFFAOYSA-N -1 1 311.179 2.452 20 5 DEBDMM Cc1ccc([N+](=O)[O-])c(NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001307192885 1147403985 /nfs/dbraw/zinc/40/39/85/1147403985.db2.gz LPMCEJZBSUHMSH-UHFFFAOYSA-N -1 1 316.317 2.084 20 5 DEBDMM O=C(NCCCCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618342488 363465036 /nfs/dbraw/zinc/46/50/36/363465036.db2.gz NDMBRIZWFFTRCF-UHFFFAOYSA-N -1 1 315.329 2.448 20 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCS2)s1 ZINC000867660246 687755776 /nfs/dbraw/zinc/75/57/76/687755776.db2.gz NXVUKQQSFCLCSD-QMMMGPOBSA-N -1 1 322.433 2.220 20 5 DEBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000874486321 689424750 /nfs/dbraw/zinc/42/47/50/689424750.db2.gz IHLZMSVAZZQOND-SNVBAGLBSA-N -1 1 313.313 2.455 20 5 DEBDMM Cc1nn(-c2ccc([O-])c([N+](=O)[O-])c2)c(N)c1Br ZINC001210392718 776892387 /nfs/dbraw/zinc/89/23/87/776892387.db2.gz MCAHDOOKHWPVQW-UHFFFAOYSA-N -1 1 313.111 2.139 20 5 DEBDMM C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001173217740 793634873 /nfs/dbraw/zinc/63/48/73/793634873.db2.gz FGZUHGYGJHXRDQ-QMMMGPOBSA-N -1 1 314.305 2.010 20 5 DEBDMM Cc1cc([O-])c(O[C@H](C[N+](=O)[O-])c2cccnc2)cc1[N+](=O)[O-] ZINC001229751849 801313528 /nfs/dbraw/zinc/31/35/28/801313528.db2.gz YMMNRLOMAVYTEP-CQSZACIVSA-N -1 1 319.273 2.401 20 5 DEBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@@H]2COc3ccccc3O2)n1 ZINC001231261122 801621300 /nfs/dbraw/zinc/62/13/00/801621300.db2.gz YNEPGNBALPCEJG-JTQLQIEISA-N -1 1 318.285 2.223 20 5 DEBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cnc2ccccn21 ZINC001225663054 802998185 /nfs/dbraw/zinc/99/81/85/802998185.db2.gz YBGXYJKLPHVOCA-VIFPVBQESA-N -1 1 300.274 2.483 20 5 DEBDMM O=c1cc[n-]c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1[N+](=O)[O-] ZINC001225662950 802998662 /nfs/dbraw/zinc/99/86/62/802998662.db2.gz WJAYVMBLKZKUKP-LLVKDONJSA-N -1 1 317.257 2.150 20 5 DEBDMM O=c1cc(O[C@@H](C[N+](=O)[O-])C2CC2)nc(-c2ccccc2)[n-]1 ZINC001226185561 803068418 /nfs/dbraw/zinc/06/84/18/803068418.db2.gz ZLVQHVVKPBZNGT-LBPRGKRZSA-N -1 1 301.302 2.283 20 5 DEBDMM CN1CCC[C@@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1 ZINC001228861884 803422851 /nfs/dbraw/zinc/42/28/51/803422851.db2.gz IMZXAMVDGPDWEA-SSDOTTSWSA-N -1 1 321.255 2.187 20 5 DEBDMM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001595053667 979288745 /nfs/dbraw/zinc/28/87/45/979288745.db2.gz NODSVCRDRNEUAX-UHFFFAOYSA-N -1 1 310.306 2.064 20 5 DEBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccn1 ZINC001603682078 1070044252 /nfs/dbraw/zinc/04/42/52/1070044252.db2.gz OBCFDVLVZHELDR-VIFPVBQESA-N -1 1 311.305 2.343 20 5 DEBDMM C[C@H]1SCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603955626 1070158619 /nfs/dbraw/zinc/15/86/19/1070158619.db2.gz KXAHRYYIOFMIEN-GMSGAONNSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@H]1SCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603955626 1070158625 /nfs/dbraw/zinc/15/86/25/1070158625.db2.gz KXAHRYYIOFMIEN-GMSGAONNSA-N -1 1 306.351 2.081 20 5 DEBDMM CO[C@](C)(CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CC1 ZINC001604997903 1070558807 /nfs/dbraw/zinc/55/88/07/1070558807.db2.gz MDECLMJIYWHEJU-CQSZACIVSA-N -1 1 318.337 2.002 20 5 DEBDMM CO[C@](C)(CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CC1 ZINC001604997903 1070558819 /nfs/dbraw/zinc/55/88/19/1070558819.db2.gz MDECLMJIYWHEJU-CQSZACIVSA-N -1 1 318.337 2.002 20 5 DEBDMM Cc1ncc(CSc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC001606089455 1071039975 /nfs/dbraw/zinc/03/99/75/1071039975.db2.gz PZDUXFOCRAKILZ-UHFFFAOYSA-N -1 1 318.318 2.364 20 5 DEBDMM Cc1ncc(CSc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC001606089455 1071039984 /nfs/dbraw/zinc/03/99/84/1071039984.db2.gz PZDUXFOCRAKILZ-UHFFFAOYSA-N -1 1 318.318 2.364 20 5 DEBDMM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]23)cc1-c1nnn[n-]1 ZINC001607081404 1071290277 /nfs/dbraw/zinc/29/02/77/1071290277.db2.gz BWBABABIYKCRTC-MKPLZMMCSA-N -1 1 300.322 2.375 20 5 DEBDMM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]23)cc1-c1nn[n-]n1 ZINC001607081404 1071290285 /nfs/dbraw/zinc/29/02/85/1071290285.db2.gz BWBABABIYKCRTC-MKPLZMMCSA-N -1 1 300.322 2.375 20 5 DEBDMM O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001469267700 1059927192 /nfs/dbraw/zinc/92/71/92/1059927192.db2.gz OAYZPAUDDSYJSC-WFASDCNBSA-N -1 1 317.276 2.063 20 5 DEBDMM Cc1scc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC001471009648 1060172099 /nfs/dbraw/zinc/17/20/99/1060172099.db2.gz ZRRKAKAJKWSZLZ-UHFFFAOYSA-N -1 1 307.331 2.304 20 5 DEBDMM Cc1cccc(CO[N-]C(=O)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC001641580674 1078719124 /nfs/dbraw/zinc/71/91/24/1078719124.db2.gz UUCCNNROLHLANM-UHFFFAOYSA-N -1 1 319.292 2.228 20 5 DEBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[n-][nH]c1=O ZINC001641598030 1078720440 /nfs/dbraw/zinc/72/04/40/1078720440.db2.gz HCKDOUXKYDWCHC-ZETCQYMHSA-N -1 1 308.319 2.143 20 5 DEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](c2cnccn2)C1 ZINC001644672272 1078854854 /nfs/dbraw/zinc/85/48/54/1078854854.db2.gz KHAHBKBWLZLJOS-NSHDSACASA-N -1 1 300.318 2.080 20 5 DEBDMM CC1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCOCC1 ZINC001590133935 1076570256 /nfs/dbraw/zinc/57/02/56/1076570256.db2.gz JWJNHDNEGITOCH-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM C[C@H]1CCC[C@@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])O1 ZINC001590245111 1076597264 /nfs/dbraw/zinc/59/72/64/1076597264.db2.gz WZYOMZVUMXBTEL-UWVGGRQHSA-N -1 1 318.337 2.144 20 5 DEBDMM C[C@H]1CCC[C@@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])O1 ZINC001590245111 1076597271 /nfs/dbraw/zinc/59/72/71/1076597271.db2.gz WZYOMZVUMXBTEL-UWVGGRQHSA-N -1 1 318.337 2.144 20 5 DEBDMM CCCN(CC1CC1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590622357 1076660991 /nfs/dbraw/zinc/66/09/91/1076660991.db2.gz UZZUXAXKLIXLEY-UHFFFAOYSA-N -1 1 308.367 2.463 20 5 DEBDMM CCCN(CC1CC1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590622357 1076660993 /nfs/dbraw/zinc/66/09/93/1076660993.db2.gz UZZUXAXKLIXLEY-UHFFFAOYSA-N -1 1 308.367 2.463 20 5 DEBDMM CN(C[C@H]1CC1(C)C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591053470 1076705803 /nfs/dbraw/zinc/70/58/03/1076705803.db2.gz LQRGZNUFFAYBIR-SSDOTTSWSA-N -1 1 308.367 2.319 20 5 DEBDMM CN(C[C@H]1CC1(C)C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591053470 1076705804 /nfs/dbraw/zinc/70/58/04/1076705804.db2.gz LQRGZNUFFAYBIR-SSDOTTSWSA-N -1 1 308.367 2.319 20 5 DEBDMM CO[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591467723 1076745993 /nfs/dbraw/zinc/74/59/93/1076745993.db2.gz VYFOHZJIMGGCJB-DGCLKSJQSA-N -1 1 318.337 2.144 20 5 DEBDMM CO[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591467723 1076745998 /nfs/dbraw/zinc/74/59/98/1076745998.db2.gz VYFOHZJIMGGCJB-DGCLKSJQSA-N -1 1 318.337 2.144 20 5 DEBDMM CSCCCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591699805 1076776215 /nfs/dbraw/zinc/77/62/15/1076776215.db2.gz VGZZRTSLNUSESH-UHFFFAOYSA-N -1 1 314.396 2.392 20 5 DEBDMM CSCCCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591699805 1076776220 /nfs/dbraw/zinc/77/62/20/1076776220.db2.gz VGZZRTSLNUSESH-UHFFFAOYSA-N -1 1 314.396 2.392 20 5 DEBDMM CS[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591702720 1076776981 /nfs/dbraw/zinc/77/69/81/1076776981.db2.gz TYOXDGIVXLUPMS-ZKCHVHJHSA-N -1 1 306.351 2.081 20 5 DEBDMM CS[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591702720 1076776985 /nfs/dbraw/zinc/77/69/85/1076776985.db2.gz TYOXDGIVXLUPMS-ZKCHVHJHSA-N -1 1 306.351 2.081 20 5 DEBDMM Cc1cc(N2CCC[C@@](C)(F)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592003755 1076829301 /nfs/dbraw/zinc/82/93/01/1076829301.db2.gz JDKJAFCTZVDVDN-CQSZACIVSA-N -1 1 320.328 2.412 20 5 DEBDMM Cc1cc(N2CCC[C@@](C)(F)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592003755 1076829306 /nfs/dbraw/zinc/82/93/06/1076829306.db2.gz JDKJAFCTZVDVDN-CQSZACIVSA-N -1 1 320.328 2.412 20 5 DEBDMM Cc1cc(NC[C@@H]2C=CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592043446 1076838038 /nfs/dbraw/zinc/83/80/38/1076838038.db2.gz GNBFNTMRXIYYNJ-SNVBAGLBSA-N -1 1 300.322 2.461 20 5 DEBDMM Cc1cc(NC[C@@H]2C=CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592043446 1076838041 /nfs/dbraw/zinc/83/80/41/1076838041.db2.gz GNBFNTMRXIYYNJ-SNVBAGLBSA-N -1 1 300.322 2.461 20 5 DEBDMM Cc1ccc(NCc2nc(-c3nnn[n-]3)cs2)c([N+](=O)[O-])c1 ZINC001592185411 1076872563 /nfs/dbraw/zinc/87/25/63/1076872563.db2.gz ZQTFJISADAFRCY-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM Cc1ccc(NCc2nc(-c3nn[n-]n3)cs2)c([N+](=O)[O-])c1 ZINC001592185411 1076872568 /nfs/dbraw/zinc/87/25/68/1076872568.db2.gz ZQTFJISADAFRCY-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM O=[N+]([O-])c1cc(SC2CCOCC2)ccc1-c1nnn[n-]1 ZINC001593474646 1077006748 /nfs/dbraw/zinc/00/67/48/1077006748.db2.gz RJVDJSMTRZTUEE-UHFFFAOYSA-N -1 1 307.335 2.046 20 5 DEBDMM O=[N+]([O-])c1cc(SC2CCOCC2)ccc1-c1nn[n-]n1 ZINC001593474646 1077006751 /nfs/dbraw/zinc/00/67/51/1077006751.db2.gz RJVDJSMTRZTUEE-UHFFFAOYSA-N -1 1 307.335 2.046 20 5 DEBDMM O=[N+]([O-])c1cn(CC/C=C\c2ccccc2)nc1-c1nn[n-]n1 ZINC001593487428 1077011551 /nfs/dbraw/zinc/01/15/51/1077011551.db2.gz XMIVHKDHEBZDIO-YWEYNIOJSA-N -1 1 311.305 2.075 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Oc1ccc(F)nc1 ZINC001593487960 1077011588 /nfs/dbraw/zinc/01/15/88/1077011588.db2.gz AAIKISVSJAPRJL-UHFFFAOYSA-N -1 1 308.254 2.163 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Oc1ccc(F)nc1 ZINC001593487960 1077011592 /nfs/dbraw/zinc/01/15/92/1077011592.db2.gz AAIKISVSJAPRJL-UHFFFAOYSA-N -1 1 308.254 2.163 20 5 DEBDMM Cc1nc([C@@H](C)Nc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC001600792356 1077271009 /nfs/dbraw/zinc/27/10/09/1077271009.db2.gz LZTMWGFQOOUOBQ-YZCDNWJKSA-N -1 1 317.305 2.292 20 5 DEBDMM C[C@@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609115520 1077765083 /nfs/dbraw/zinc/76/50/83/1077765083.db2.gz AASQCCKOCAAJPO-VIFPVBQESA-N -1 1 314.305 2.411 20 5 DEBDMM CCc1c[nH]c(Sc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001609249978 1077813782 /nfs/dbraw/zinc/81/37/82/1077813782.db2.gz DQVPVVIOBXJPHE-UHFFFAOYSA-N -1 1 317.334 2.212 20 5 DEBDMM CCc1c[nH]c(Sc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001609249978 1077813791 /nfs/dbraw/zinc/81/37/91/1077813791.db2.gz DQVPVVIOBXJPHE-UHFFFAOYSA-N -1 1 317.334 2.212 20 5 DEBDMM CSCCCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609370986 1077844290 /nfs/dbraw/zinc/84/42/90/1077844290.db2.gz LDYHHBDWTMWMRK-UHFFFAOYSA-N -1 1 323.382 2.115 20 5 DEBDMM CSCCCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609370986 1077844293 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ZJFMAOCYXRSYFL-ZETCQYMHSA-N -1 1 322.346 2.205 20 5 DEBDMM COC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCCCC1 ZINC001636996061 1078497845 /nfs/dbraw/zinc/49/78/45/1078497845.db2.gz MWJDKKYXLCFREU-UHFFFAOYSA-N -1 1 323.349 2.165 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001637952181 1078541554 /nfs/dbraw/zinc/54/15/54/1078541554.db2.gz JNXALWVAXJTPJY-UHFFFAOYSA-N -1 1 308.319 2.063 20 5 DEBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCOc2c(F)c(F)ccc21 ZINC001639718213 1078626149 /nfs/dbraw/zinc/62/61/49/1078626149.db2.gz VDWRPCFOMOIHLP-UHFFFAOYSA-N -1 1 309.228 2.240 20 5 DEBDMM CC1(C)CO[C@@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590110632 1076566396 /nfs/dbraw/zinc/56/63/96/1076566396.db2.gz CJOXPYBPAREXGF-SECBINFHSA-N -1 1 318.337 2.002 20 5 DEBDMM CC1(C)CO[C@@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590110632 1076566398 /nfs/dbraw/zinc/56/63/98/1076566398.db2.gz CJOXPYBPAREXGF-SECBINFHSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@]1(F)CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590141833 1076573577 /nfs/dbraw/zinc/57/35/77/1076573577.db2.gz OOWHECXOODIJCI-CYBMUJFWSA-N -1 1 306.301 2.103 20 5 DEBDMM C[C@@]1(F)CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590141833 1076573581 /nfs/dbraw/zinc/57/35/81/1076573581.db2.gz OOWHECXOODIJCI-CYBMUJFWSA-N -1 1 306.301 2.103 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@@H](C)O1 ZINC001590191078 1076579782 /nfs/dbraw/zinc/57/97/82/1076579782.db2.gz DHUQXKQPRUJLIT-BBBLOLIVSA-N -1 1 318.337 2.000 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@@H](C)O1 ZINC001590191078 1076579784 /nfs/dbraw/zinc/57/97/84/1076579784.db2.gz DHUQXKQPRUJLIT-BBBLOLIVSA-N -1 1 318.337 2.000 20 5 DEBDMM C[C@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC[C@@H]1C ZINC001590276708 1076605529 /nfs/dbraw/zinc/60/55/29/1076605529.db2.gz POFQYTSCBJKLFW-YUMQZZPRSA-N -1 1 308.367 2.319 20 5 DEBDMM C[C@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC[C@@H]1C ZINC001590276708 1076605532 /nfs/dbraw/zinc/60/55/32/1076605532.db2.gz POFQYTSCBJKLFW-YUMQZZPRSA-N -1 1 308.367 2.319 20 5 DEBDMM CC[C@H](C)[C@@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)OC ZINC001590399629 1076620636 /nfs/dbraw/zinc/62/06/36/1076620636.db2.gz JURFCIHMRRDCIY-TVQRCGJNSA-N -1 1 320.353 2.248 20 5 DEBDMM CO[C@@](C)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CC1 ZINC001591318260 1076722386 /nfs/dbraw/zinc/72/23/86/1076722386.db2.gz OGNVQQXFSYQWIE-AWEZNQCLSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591753418 1076781488 /nfs/dbraw/zinc/78/14/88/1076781488.db2.gz YZPAXOPERRZKQP-ZIYJGFGOSA-N -1 1 300.322 2.231 20 5 DEBDMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591753418 1076781490 /nfs/dbraw/zinc/78/14/90/1076781490.db2.gz YZPAXOPERRZKQP-ZIYJGFGOSA-N -1 1 300.322 2.231 20 5 DEBDMM Cc1cc(NC[C@H]2CCCCO2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592044718 1076837938 /nfs/dbraw/zinc/83/79/38/1076837938.db2.gz WMMXEBCZXCKSTQ-LLVKDONJSA-N -1 1 318.337 2.064 20 5 DEBDMM Cc1cc(NC[C@H]2CCCCO2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592044718 1076837941 /nfs/dbraw/zinc/83/79/41/1076837941.db2.gz WMMXEBCZXCKSTQ-LLVKDONJSA-N -1 1 318.337 2.064 20 5 DEBDMM Cc1ccc(CSc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC001592169630 1076867156 /nfs/dbraw/zinc/86/71/56/1076867156.db2.gz WRWLPLKORMRMFB-UHFFFAOYSA-N -1 1 318.318 2.364 20 5 DEBDMM Cc1ccc(CSc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC001592169630 1076867159 /nfs/dbraw/zinc/86/71/59/1076867159.db2.gz WRWLPLKORMRMFB-UHFFFAOYSA-N -1 1 318.318 2.364 20 5 DEBDMM O=[N+]([O-])c1c(NC[C@@H]2C[C@H]2C2CC2)cccc1-c1nnn[n-]1 ZINC001593468452 1077005966 /nfs/dbraw/zinc/00/59/66/1077005966.db2.gz FQYCZCXCRPTMOI-ONGXEEELSA-N -1 1 300.322 2.233 20 5 DEBDMM O=[N+]([O-])c1c(NC[C@@H]2C[C@H]2C2CC2)cccc1-c1nn[n-]n1 ZINC001593468452 1077005971 /nfs/dbraw/zinc/00/59/71/1077005971.db2.gz FQYCZCXCRPTMOI-ONGXEEELSA-N -1 1 300.322 2.233 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCCC(F)(F)C1 ZINC001593466609 1077006133 /nfs/dbraw/zinc/00/61/33/1077006133.db2.gz KOOJYMYYCYRZCP-UHFFFAOYSA-N -1 1 310.264 2.010 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCCC(F)(F)C1 ZINC001593466609 1077006139 /nfs/dbraw/zinc/00/61/39/1077006139.db2.gz KOOJYMYYCYRZCP-UHFFFAOYSA-N -1 1 310.264 2.010 20 5 DEBDMM O=[N+]([O-])c1cc(SC[C@H]2CCCO2)ccc1-c1nnn[n-]1 ZINC001593474631 1077007029 /nfs/dbraw/zinc/00/70/29/1077007029.db2.gz QXYYZMXKJJWUAU-MRVPVSSYSA-N -1 1 307.335 2.046 20 5 DEBDMM O=[N+]([O-])c1cc(SC[C@H]2CCCO2)ccc1-c1nn[n-]n1 ZINC001593474631 1077007038 /nfs/dbraw/zinc/00/70/38/1077007038.db2.gz QXYYZMXKJJWUAU-MRVPVSSYSA-N -1 1 307.335 2.046 20 5 DEBDMM O=C([O-])[C@]12C[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001602204648 1077525097 /nfs/dbraw/zinc/52/50/97/1077525097.db2.gz ANLBQOMOZKMCRI-MLGOLLRUSA-N -1 1 320.345 2.377 20 5 DEBDMM O=C([O-])c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001602265881 1077538413 /nfs/dbraw/zinc/53/84/13/1077538413.db2.gz YOSKNOZOGDGKHU-SVGQVSJJSA-N -1 1 319.100 2.295 20 5 DEBDMM C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@H]1C ZINC001609166921 1077782631 /nfs/dbraw/zinc/78/26/31/1077782631.db2.gz KAWBCHZMJUETMD-ZJUUUORDSA-N -1 1 302.338 2.400 20 5 DEBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)c1nnc[nH]1 ZINC001609786477 1077924094 /nfs/dbraw/zinc/92/40/94/1077924094.db2.gz NGDGVERXSSSPCA-YFKPBYRVSA-N -1 1 311.685 2.238 20 5 DEBDMM O=C1CCc2ccc(-c3noc(-c4[n-]cnc4[N+](=O)[O-])n3)cc21 ZINC001212893115 1087755499 /nfs/dbraw/zinc/75/54/99/1087755499.db2.gz MWCJFYPKPRHCDD-UHFFFAOYSA-N -1 1 311.257 2.164 20 5 DEBDMM CS[C@@H]1CC[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001324702692 1147832622 /nfs/dbraw/zinc/83/26/22/1147832622.db2.gz XGHSOGOULNLTSE-VHSXEESVSA-N -1 1 311.363 2.052 20 5 DEBDMM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000579090039 356918253 /nfs/dbraw/zinc/91/82/53/356918253.db2.gz ZCVXKEPSZVACJP-UWVGGRQHSA-N -1 1 313.379 2.093 20 5 DEBDMM CO[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000592350235 357864380 /nfs/dbraw/zinc/86/43/80/357864380.db2.gz AXWJFWADRLJGPI-ZDUSSCGKSA-N -1 1 316.379 2.316 20 5 DEBDMM Cc1ccc(F)c(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000447637708 239054513 /nfs/dbraw/zinc/05/45/13/239054513.db2.gz WIDKPXRYFGCFLG-UHFFFAOYSA-N -1 1 319.292 2.415 20 5 DEBDMM O=C(Nc1cccc([O-])c1F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000540908483 285136699 /nfs/dbraw/zinc/13/66/99/285136699.db2.gz UBPLQEBSYNGBAQ-UHFFFAOYSA-N -1 1 320.232 2.421 20 5 DEBDMM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1[O-] ZINC000340328017 131441162 /nfs/dbraw/zinc/44/11/62/131441162.db2.gz AFKSATYHNLWCHP-UHFFFAOYSA-N -1 1 306.249 2.457 20 5 DEBDMM Cc1ccc([C@@H](C)NC(=O)c2cncc([O-])c2)cc1[N+](=O)[O-] ZINC000175460097 402808402 /nfs/dbraw/zinc/80/84/02/402808402.db2.gz SNUJHJPTYFHHOD-SNVBAGLBSA-N -1 1 301.302 2.495 20 5 DEBDMM C[C@H]1CC(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](C)O1 ZINC000338985773 403310150 /nfs/dbraw/zinc/31/01/50/403310150.db2.gz LARUAUGWWQPWSG-UWVGGRQHSA-N -1 1 323.349 2.019 20 5 DEBDMM Cn1cnc([N+](=O)[O-])c1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000351888988 403987237 /nfs/dbraw/zinc/98/72/37/403987237.db2.gz SIMARUZUMQKKGU-UHFFFAOYSA-N -1 1 317.277 2.054 20 5 DEBDMM COC(=O)c1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000438821700 405255586 /nfs/dbraw/zinc/25/55/86/405255586.db2.gz WHUNLUJCQKOXCQ-UHFFFAOYSA-N -1 1 314.257 2.427 20 5 DEBDMM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525188736 406473519 /nfs/dbraw/zinc/47/35/19/406473519.db2.gz GUGRRWTVIGSABI-JTQLQIEISA-N -1 1 315.395 2.483 20 5 DEBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CC(=O)[O-])C1CC1 ZINC000572370300 406656141 /nfs/dbraw/zinc/65/61/41/406656141.db2.gz LJHQZJRPICOUJA-UHFFFAOYSA-N -1 1 308.334 2.431 20 5 DEBDMM C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525186345 269481216 /nfs/dbraw/zinc/48/12/16/269481216.db2.gz BETGZRDBMXSHAL-WDEREUQCSA-N -1 1 313.379 2.094 20 5 DEBDMM C[C@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000451684975 278267559 /nfs/dbraw/zinc/26/75/59/278267559.db2.gz AXXNOXURQHVMGW-VIFPVBQESA-N -1 1 322.333 2.100 20 5 DEBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(C2CCCC2)CC1 ZINC000184636927 304533349 /nfs/dbraw/zinc/53/33/49/304533349.db2.gz QRYIFRXIBZEKOC-UHFFFAOYSA-N -1 1 319.361 2.001 20 5 DEBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C/C=C/C1CC1 ZINC001327812784 1148649934 /nfs/dbraw/zinc/64/99/34/1148649934.db2.gz WFGCHXROKJHKAR-NSCUHMNNSA-N -1 1 316.766 2.493 20 5 DEBDMM O=C([O-])C[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000819385449 597044439 /nfs/dbraw/zinc/04/44/39/597044439.db2.gz RDNQRQOVMOYOGV-NSHDSACASA-N -1 1 318.333 2.089 20 5 DEBDMM Cc1cc(CNc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])[nH]n1 ZINC000738392347 600637986 /nfs/dbraw/zinc/63/79/86/600637986.db2.gz LDNVDTHDCJGJKR-HYXAFXHYSA-N -1 1 302.290 2.336 20 5 DEBDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1[N+](=O)[O-] ZINC000824662861 608415924 /nfs/dbraw/zinc/41/59/24/608415924.db2.gz SQPDQNJQGRZVRL-SECBINFHSA-N -1 1 311.305 2.343 20 5 DEBDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1[N+](=O)[O-] ZINC000824662861 608415925 /nfs/dbraw/zinc/41/59/25/608415925.db2.gz SQPDQNJQGRZVRL-SECBINFHSA-N -1 1 311.305 2.343 20 5 DEBDMM CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000751978602 639143433 /nfs/dbraw/zinc/14/34/33/639143433.db2.gz NQLJQIJGIPUFCP-UHFFFAOYSA-N -1 1 304.755 2.327 20 5 DEBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)n1 ZINC000756662980 639683479 /nfs/dbraw/zinc/68/34/79/639683479.db2.gz CCRCSVUPDMDGNN-UHFFFAOYSA-N -1 1 323.240 2.111 20 5 DEBDMM O=C(OCc1nccn1C(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049042 641160738 /nfs/dbraw/zinc/16/07/38/641160738.db2.gz VCNRHMDLGCQRDR-UHFFFAOYSA-N -1 1 313.216 2.249 20 5 DEBDMM COc1cc(C)nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780068102 642579751 /nfs/dbraw/zinc/57/97/51/642579751.db2.gz JNZYEBIMCJUUPW-UHFFFAOYSA-N -1 1 318.285 2.369 20 5 DEBDMM COC(=O)CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000786220300 643340936 /nfs/dbraw/zinc/34/09/36/643340936.db2.gz WQXSZYRUHVQPJI-UHFFFAOYSA-N -1 1 317.301 2.281 20 5 DEBDMM CSCCO[N-]C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000794196192 644373918 /nfs/dbraw/zinc/37/39/18/644373918.db2.gz VCYSNOFGPIGJDD-QMMMGPOBSA-N -1 1 302.327 2.248 20 5 DEBDMM Cc1n[n-]cc1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732217708 647552606 /nfs/dbraw/zinc/55/26/06/647552606.db2.gz GHCITNAEUWBZRN-UHFFFAOYSA-N -1 1 317.710 2.047 20 5 DEBDMM COc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000821012752 647969418 /nfs/dbraw/zinc/96/94/18/647969418.db2.gz NSSYEGXAYCXDOS-XQRVVYSFSA-N -1 1 303.274 2.278 20 5 DEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC[C@H]3C[C@H]32)s1 ZINC000920884866 648260814 /nfs/dbraw/zinc/26/08/14/648260814.db2.gz LNJHMVMHFUBLRJ-GUBZILKMSA-N -1 1 316.404 2.371 20 5 DEBDMM CN(C)C(=O)c1cccc(Nc2ccc(N)c([N+](=O)[O-])c2)c1[O-] ZINC001209938767 776790805 /nfs/dbraw/zinc/79/08/05/776790805.db2.gz YVNSHEVBTVEDPR-UHFFFAOYSA-N -1 1 316.317 2.328 20 5 DEBDMM O=C(NC[C@H]1C[C@@H]1C1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184482891 796073621 /nfs/dbraw/zinc/07/36/21/796073621.db2.gz VYRNDNJXAILPIE-ZYHUDNBSSA-N -1 1 305.334 2.252 20 5 DEBDMM NC(=O)c1ncsc1[N-]c1c(F)ccc([N+](=O)[O-])c1F ZINC001215289314 796296708 /nfs/dbraw/zinc/29/67/08/796296708.db2.gz IYCKHYNHBNZGST-UHFFFAOYSA-N -1 1 300.246 2.172 20 5 DEBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC(F)F ZINC001161769136 798933577 /nfs/dbraw/zinc/93/35/77/798933577.db2.gz JOBQDTOOOUZFHZ-UHFFFAOYSA-N -1 1 303.265 2.107 20 5 DEBDMM Cc1cnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])[n-]c1=O ZINC001166227595 799847519 /nfs/dbraw/zinc/84/75/19/799847519.db2.gz NAUGTWPYCJPZAB-UHFFFAOYSA-N -1 1 320.330 2.130 20 5 DEBDMM CCOC(=O)[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC001229395945 801269751 /nfs/dbraw/zinc/26/97/51/801269751.db2.gz NRAOWIRNHVNANG-VIFPVBQESA-N -1 1 309.196 2.173 20 5 DEBDMM O=[N+]([O-])C[C@H](Oc1cccnc1-c1ncccc1[O-])C1CC1 ZINC001231199078 801605720 /nfs/dbraw/zinc/60/57/20/801605720.db2.gz ADVQAEPIHOMAOI-ZDUSSCGKSA-N -1 1 301.302 2.283 20 5 DEBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@@H]2CC[C@]3(CCCCO3)O2)n1 ZINC001231261326 801620322 /nfs/dbraw/zinc/62/03/22/801620322.db2.gz ARALIYVZXNOUIZ-NHYWBVRUSA-N -1 1 324.333 2.458 20 5 DEBDMM CCOC(=O)[C@H]1CC[C@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231265128 801621342 /nfs/dbraw/zinc/62/13/42/801621342.db2.gz YUJZHRHCCDTTKM-UWVGGRQHSA-N -1 1 310.306 2.114 20 5 DEBDMM CCOC(=O)[C@H]1CCC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225664959 802999512 /nfs/dbraw/zinc/99/95/12/802999512.db2.gz VJBHRCNMEJPSMR-VHSXEESVSA-N -1 1 310.306 2.196 20 5 DEBDMM O=c1cc[n-]c(OC[C@@H]2CC[C@@]3(CCCCO3)O2)c1[N+](=O)[O-] ZINC001225666673 803000058 /nfs/dbraw/zinc/00/00/58/803000058.db2.gz KUTHOCYDWJONFU-IINYFYTJSA-N -1 1 310.306 2.150 20 5 DEBDMM COC(=O)C[C@@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228861986 803421893 /nfs/dbraw/zinc/42/18/93/803421893.db2.gz JOVRBQODOMIIQL-RXMQYKEDSA-N -1 1 324.211 2.045 20 5 DEBDMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001589307736 953755604 /nfs/dbraw/zinc/75/56/04/953755604.db2.gz CLJCCFSUTYLKGM-VHSXEESVSA-N -1 1 319.317 2.421 20 5 DEBDMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001589308154 953763486 /nfs/dbraw/zinc/76/34/86/953763486.db2.gz ITGXRUJTNWMBDC-UWVGGRQHSA-N -1 1 318.333 2.156 20 5 DEBDMM COc1cc(CN2CCC[C@@]2(C)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001594055908 958036011 /nfs/dbraw/zinc/03/60/11/958036011.db2.gz DLPDUUJPJQBBRL-AWEZNQCLSA-N -1 1 312.297 2.182 20 5 DEBDMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CS1 ZINC001603861573 1070124886 /nfs/dbraw/zinc/12/48/86/1070124886.db2.gz MGATUFONZQQCBK-CBAPKCEASA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@@H]1CC(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC001603861508 1070125536 /nfs/dbraw/zinc/12/55/36/1070125536.db2.gz IFVIQASLTJGPIS-RKDXNWHRSA-N -1 1 318.337 2.143 20 5 DEBDMM C[C@@H]1CC(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC001603861508 1070125542 /nfs/dbraw/zinc/12/55/42/1070125542.db2.gz IFVIQASLTJGPIS-RKDXNWHRSA-N -1 1 318.337 2.143 20 5 DEBDMM C[C@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001603898633 1070144364 /nfs/dbraw/zinc/14/43/64/1070144364.db2.gz PMUQBSRBQGATJC-QMMMGPOBSA-N -1 1 308.367 2.463 20 5 DEBDMM C[C@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001603898633 1070144370 /nfs/dbraw/zinc/14/43/70/1070144370.db2.gz PMUQBSRBQGATJC-QMMMGPOBSA-N -1 1 308.367 2.463 20 5 DEBDMM O=[N+]([O-])c1cc(NCC[C@@H]2CCCS2)ccc1-c1nn[n-]n1 ZINC001607078932 1071288559 /nfs/dbraw/zinc/28/85/59/1071288559.db2.gz CCASLHFNYGUKQU-JTQLQIEISA-N -1 1 320.378 2.473 20 5 DEBDMM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)o2)c(F)c1 ZINC001607082949 1071290569 /nfs/dbraw/zinc/29/05/69/1071290569.db2.gz XGNFMGDWARNHCJ-UHFFFAOYSA-N -1 1 305.225 2.086 20 5 DEBDMM O=[N+]([O-])c1ccc(OCc2ccc(-c3nn[n-]n3)o2)c(F)c1 ZINC001607082949 1071290581 /nfs/dbraw/zinc/29/05/81/1071290581.db2.gz XGNFMGDWARNHCJ-UHFFFAOYSA-N -1 1 305.225 2.086 20 5 DEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1Cc2cc(F)c(F)cc2C1 ZINC001457895360 1058037626 /nfs/dbraw/zinc/03/76/26/1058037626.db2.gz VYSPTDHRKQJKAD-UHFFFAOYSA-N -1 1 321.239 2.130 20 5 DEBDMM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001472577850 1060540438 /nfs/dbraw/zinc/54/04/38/1060540438.db2.gz BLCHAHIIZLJXEG-PWSUYJOCSA-N -1 1 305.334 2.252 20 5 DEBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC001610842170 1078084974 /nfs/dbraw/zinc/08/49/74/1078084974.db2.gz QZEWHMLXFBQOPO-HUUCEWRRSA-N -1 1 320.345 2.436 20 5 DEBDMM Nc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1[N+](=O)[O-] ZINC001629318448 1078314308 /nfs/dbraw/zinc/31/43/08/1078314308.db2.gz CQRDQZQWUKSBRS-UHFFFAOYSA-N -1 1 309.228 2.413 20 5 DEBDMM COc1ccc([N-]C(=O)c2nnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC001632510739 1078385385 /nfs/dbraw/zinc/38/53/85/1078385385.db2.gz LPAKEUXIPOIYGJ-UHFFFAOYSA-N -1 1 304.262 2.116 20 5 DEBDMM Cc1cc(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc([N+](=O)[O-])c1 ZINC001637530199 1078522897 /nfs/dbraw/zinc/52/28/97/1078522897.db2.gz FDVSCAMORUQMDP-UHFFFAOYSA-N -1 1 320.330 2.248 20 5 DEBDMM C[C@@H](CNC(=O)c1ccc([O-])cn1)c1ccccc1[N+](=O)[O-] ZINC001645720415 1078971615 /nfs/dbraw/zinc/97/16/15/1078971615.db2.gz BJTZZJSHGMVEBC-JTQLQIEISA-N -1 1 301.302 2.229 20 5 DEBDMM CC(C)OCCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589747356 1076508098 /nfs/dbraw/zinc/50/80/98/1076508098.db2.gz UATXWGNSKSDFMM-UHFFFAOYSA-N -1 1 306.326 2.002 20 5 DEBDMM CC(C)OCCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589747356 1076508101 /nfs/dbraw/zinc/50/81/01/1076508101.db2.gz UATXWGNSKSDFMM-UHFFFAOYSA-N -1 1 306.326 2.002 20 5 DEBDMM C[C@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccn1 ZINC001589983631 1076543782 /nfs/dbraw/zinc/54/37/82/1076543782.db2.gz GKFOCJQHRDADCC-VIFPVBQESA-N -1 1 311.305 2.343 20 5 DEBDMM C[C@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccn1 ZINC001589983631 1076543786 /nfs/dbraw/zinc/54/37/86/1076543786.db2.gz GKFOCJQHRDADCC-VIFPVBQESA-N -1 1 311.305 2.343 20 5 DEBDMM CC1(CC(F)F)CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001590123465 1076568833 /nfs/dbraw/zinc/56/88/33/1076568833.db2.gz ODGPHPYGQJTHGM-UHFFFAOYSA-N -1 1 324.291 2.256 20 5 DEBDMM C[C@@]1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCCS1 ZINC001590133809 1076570305 /nfs/dbraw/zinc/57/03/05/1076570305.db2.gz GYMYTZCJOJWEHN-ZDUSSCGKSA-N -1 1 320.378 2.473 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001590193785 1076581032 /nfs/dbraw/zinc/58/10/32/1076581032.db2.gz NJLGRBKJBPBERX-SFYZADRCSA-N -1 1 324.366 2.063 20 5 DEBDMM C[C@@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001590193785 1076581035 /nfs/dbraw/zinc/58/10/35/1076581035.db2.gz NJLGRBKJBPBERX-SFYZADRCSA-N -1 1 324.366 2.063 20 5 DEBDMM C[C@@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@H](C)O1 ZINC001590193746 1076581558 /nfs/dbraw/zinc/58/15/58/1076581558.db2.gz TUIDRVWRUPSFEN-KXUCPTDWSA-N -1 1 318.337 2.000 20 5 DEBDMM C[C@H]1C[C@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001590193784 1076581657 /nfs/dbraw/zinc/58/16/57/1076581657.db2.gz NJLGRBKJBPBERX-JGVFFNPUSA-N -1 1 324.366 2.063 20 5 DEBDMM C[C@H]1C[C@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001590193784 1076581661 /nfs/dbraw/zinc/58/16/61/1076581661.db2.gz NJLGRBKJBPBERX-JGVFFNPUSA-N -1 1 324.366 2.063 20 5 DEBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](C)S1 ZINC001590315952 1076610033 /nfs/dbraw/zinc/61/00/33/1076610033.db2.gz OJOJLZHXXWIFSF-DTORHVGOSA-N -1 1 320.378 2.105 20 5 DEBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H](C)S1 ZINC001590315952 1076610039 /nfs/dbraw/zinc/61/00/39/1076610039.db2.gz OJOJLZHXXWIFSF-DTORHVGOSA-N -1 1 320.378 2.105 20 5 DEBDMM C[C@H]1SCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590336716 1076613541 /nfs/dbraw/zinc/61/35/41/1076613541.db2.gz LUHKTJPFFDLCIZ-PHDIDXHHSA-N -1 1 312.380 2.142 20 5 DEBDMM C[C@H]1SCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590336716 1076613542 /nfs/dbraw/zinc/61/35/42/1076613542.db2.gz LUHKTJPFFDLCIZ-PHDIDXHHSA-N -1 1 312.380 2.142 20 5 DEBDMM COCC(C)(C)CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591369505 1076734658 /nfs/dbraw/zinc/73/46/58/1076734658.db2.gz OQZXGWIVHLSHOP-UHFFFAOYSA-N -1 1 320.353 2.250 20 5 DEBDMM CSCCCSc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591699304 1076775613 /nfs/dbraw/zinc/77/56/13/1076775613.db2.gz GNGWPHSXOZHKNF-UHFFFAOYSA-N -1 1 312.380 2.015 20 5 DEBDMM Cc1cc(N[C@@H]2C[C@@H](C)O[C@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592036515 1076836359 /nfs/dbraw/zinc/83/63/59/1076836359.db2.gz VROBRXZRQMFEQU-VDDIYKPWSA-N -1 1 318.337 2.061 20 5 DEBDMM Cc1cc(N[C@@H]2C[C@@H](C)O[C@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592036515 1076836361 /nfs/dbraw/zinc/83/63/61/1076836361.db2.gz VROBRXZRQMFEQU-VDDIYKPWSA-N -1 1 318.337 2.061 20 5 DEBDMM Cc1ccc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])nc1 ZINC001592166805 1076865794 /nfs/dbraw/zinc/86/57/94/1076865794.db2.gz IWXFRWTZEBWSEX-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1ccc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc1 ZINC001592166805 1076865798 /nfs/dbraw/zinc/86/57/98/1076865798.db2.gz IWXFRWTZEBWSEX-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM O=[N+]([O-])c1c(NCCC[C@@H]2CCOC2)cccc1-c1nnn[n-]1 ZINC001593464939 1077004601 /nfs/dbraw/zinc/00/46/01/1077004601.db2.gz BQGXXLTYAZHHDN-SNVBAGLBSA-N -1 1 318.337 2.004 20 5 DEBDMM O=[N+]([O-])c1c(NCCC[C@@H]2CCOC2)cccc1-c1nn[n-]n1 ZINC001593464939 1077004607 /nfs/dbraw/zinc/00/46/07/1077004607.db2.gz BQGXXLTYAZHHDN-SNVBAGLBSA-N -1 1 318.337 2.004 20 5 DEBDMM O=[N+]([O-])c1ccc(NCC[C@H]2CC2(F)F)cc1-c1nnn[n-]1 ZINC001593478615 1077009838 /nfs/dbraw/zinc/00/98/38/1077009838.db2.gz WWLWZQPYNHATLF-ZETCQYMHSA-N -1 1 310.264 2.232 20 5 DEBDMM O=[N+]([O-])c1ccc(NCC[C@H]2CC2(F)F)cc1-c1nn[n-]n1 ZINC001593478615 1077009841 /nfs/dbraw/zinc/00/98/41/1077009841.db2.gz WWLWZQPYNHATLF-ZETCQYMHSA-N -1 1 310.264 2.232 20 5 DEBDMM O=[N+]([O-])c1ccc(NCCOCC2CCC2)cc1-c1nnn[n-]1 ZINC001593478393 1077010225 /nfs/dbraw/zinc/01/02/25/1077010225.db2.gz DYKRHYKZIRKDBX-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM O=[N+]([O-])c1ccc(NCCOCC2CCC2)cc1-c1nn[n-]n1 ZINC001593478393 1077010229 /nfs/dbraw/zinc/01/02/29/1077010229.db2.gz DYKRHYKZIRKDBX-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001593489022 1077010772 /nfs/dbraw/zinc/01/07/72/1077010772.db2.gz SHWGOKLFTSJWSK-BIIVOSGPSA-N -1 1 306.351 2.437 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001593489022 1077010778 /nfs/dbraw/zinc/01/07/78/1077010778.db2.gz SHWGOKLFTSJWSK-BIIVOSGPSA-N -1 1 306.351 2.437 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001593489025 1077010951 /nfs/dbraw/zinc/01/09/51/1077010951.db2.gz SHWGOKLFTSJWSK-XLPZGREQSA-N -1 1 306.351 2.437 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001593489025 1077010955 /nfs/dbraw/zinc/01/09/55/1077010955.db2.gz SHWGOKLFTSJWSK-XLPZGREQSA-N -1 1 306.351 2.437 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC12CCCC2 ZINC001593488494 1077011113 /nfs/dbraw/zinc/01/11/13/1077011113.db2.gz ZPUODSXGMZSWKN-UHFFFAOYSA-N -1 1 306.351 2.359 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC12CCCC2 ZINC001593488494 1077011116 /nfs/dbraw/zinc/01/11/16/1077011116.db2.gz ZPUODSXGMZSWKN-UHFFFAOYSA-N -1 1 306.351 2.359 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1S[C@H]1CCCOC1 ZINC001593488023 1077011232 /nfs/dbraw/zinc/01/12/32/1077011232.db2.gz DNRHBBVKNWICGT-LURJTMIESA-N -1 1 313.364 2.108 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1S[C@H]1CCCOC1 ZINC001593488023 1077011236 /nfs/dbraw/zinc/01/12/36/1077011236.db2.gz DNRHBBVKNWICGT-LURJTMIESA-N -1 1 313.364 2.108 20 5 DEBDMM O=C([O-])[C@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])cc1F ZINC001601640316 1077423268 /nfs/dbraw/zinc/42/32/68/1077423268.db2.gz LIDWFCAKQUGWEH-VIFPVBQESA-N -1 1 310.203 2.229 20 5 DEBDMM CC(C)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609091364 1077758803 /nfs/dbraw/zinc/75/88/03/1077758803.db2.gz JUPUDWZABFYNAE-LBPRGKRZSA-N -1 1 302.338 2.400 20 5 DEBDMM CCOCCCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609240392 1077811828 /nfs/dbraw/zinc/81/18/28/1077811828.db2.gz AZKZCQGSSZLKMV-UHFFFAOYSA-N -1 1 306.326 2.004 20 5 DEBDMM CCOCCCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609240392 1077811832 /nfs/dbraw/zinc/81/18/32/1077811832.db2.gz AZKZCQGSSZLKMV-UHFFFAOYSA-N -1 1 306.326 2.004 20 5 DEBDMM COC1CCC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001609313636 1077830350 /nfs/dbraw/zinc/83/03/50/1077830350.db2.gz OPJWHPOXUHYUBQ-UHFFFAOYSA-N -1 1 318.337 2.144 20 5 DEBDMM O=[N+]([O-])c1cc(N2CC3(C2)CC(F)(F)C3)ccc1-c1nn[n-]n1 ZINC001609600833 1077881537 /nfs/dbraw/zinc/88/15/37/1077881537.db2.gz GLYJGLFJZVLSEX-UHFFFAOYSA-N -1 1 322.275 2.010 20 5 DEBDMM CC(C)=CC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001668581678 1081370415 /nfs/dbraw/zinc/37/04/15/1081370415.db2.gz PKZWAKPLQIKXLO-UHFFFAOYSA-N -1 1 302.327 2.287 20 5 DEBDMM CCOC(=O)c1nc([C@H](C)Nc2sccc2[N+](=O)[O-])n[n-]1 ZINC001307160376 1138942802 /nfs/dbraw/zinc/94/28/02/1138942802.db2.gz AXRXXIHNSDCUOP-LURJTMIESA-N -1 1 311.323 2.124 20 5 DEBDMM CCOC(=O)c1nnc([C@H](C)Nc2sccc2[N+](=O)[O-])[n-]1 ZINC001307160376 1138942837 /nfs/dbraw/zinc/94/28/37/1138942837.db2.gz AXRXXIHNSDCUOP-LURJTMIESA-N -1 1 311.323 2.124 20 5 DEBDMM CCOC(=O)c1n[n-]c([C@H](C)Nc2sccc2[N+](=O)[O-])n1 ZINC001307160376 1138942857 /nfs/dbraw/zinc/94/28/57/1138942857.db2.gz AXRXXIHNSDCUOP-LURJTMIESA-N -1 1 311.323 2.124 20 5 DEBDMM Cc1nn(C)c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1[N+](=O)[O-] ZINC000350837358 356574993 /nfs/dbraw/zinc/57/49/93/356574993.db2.gz OHANFJSTSAXAHP-UHFFFAOYSA-N -1 1 319.252 2.198 20 5 DEBDMM Cc1cc(N2CCC(c3n[n-]c(=O)o3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292366836 223027433 /nfs/dbraw/zinc/02/74/33/223027433.db2.gz CZIFWMLMCOUFQV-UHFFFAOYSA-N -1 1 322.296 2.103 20 5 DEBDMM COCC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593736746 358133493 /nfs/dbraw/zinc/13/34/93/358133493.db2.gz YERXTTBINUJWBV-UHFFFAOYSA-N -1 1 308.334 2.151 20 5 DEBDMM CC(C)c1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000180818675 199213160 /nfs/dbraw/zinc/21/31/60/199213160.db2.gz SUIGITNGOOEDKY-UHFFFAOYSA-N -1 1 324.362 2.383 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2ccccc2)C1 ZINC000188317621 200227090 /nfs/dbraw/zinc/22/70/90/200227090.db2.gz BYYNZSHJJXAVMZ-GFCCVEGCSA-N -1 1 313.313 2.325 20 5 DEBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000281307856 216228824 /nfs/dbraw/zinc/22/88/24/216228824.db2.gz ZPZTUGJJSOAZKJ-LURJTMIESA-N -1 1 322.745 2.464 20 5 DEBDMM O=C(Nc1cccc(Cn2cccn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604095379 360885399 /nfs/dbraw/zinc/88/53/99/360885399.db2.gz OFEDLWIWQWCPIX-UHFFFAOYSA-N -1 1 311.301 2.420 20 5 DEBDMM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525188737 283649217 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CC(C)c1csc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000160583151 402352576 /nfs/dbraw/zinc/35/25/76/402352576.db2.gz CUSYUTHDPULOFM-UHFFFAOYSA-N -1 1 322.346 2.205 20 5 DEBDMM CN(Cc1cccc(F)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186774205 402463414 /nfs/dbraw/zinc/46/34/14/402463414.db2.gz JHHNVZABQOEPLT-UHFFFAOYSA-N -1 1 305.265 2.107 20 5 DEBDMM O=C(NCc1ccccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186775237 402463463 /nfs/dbraw/zinc/46/34/63/402463463.db2.gz TUMPCADNYWSVCA-UHFFFAOYSA-N -1 1 307.693 2.279 20 5 DEBDMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000251879269 402650770 /nfs/dbraw/zinc/65/07/70/402650770.db2.gz UNZPQNCDTPIWAE-JFGNBEQYSA-N -1 1 305.334 2.489 20 5 DEBDMM CC(C)C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000272227329 402912165 /nfs/dbraw/zinc/91/21/65/402912165.db2.gz LIPYEOFMSYUVPX-CMPLNLGQSA-N -1 1 323.349 2.019 20 5 DEBDMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000282360419 403146621 /nfs/dbraw/zinc/14/66/21/403146621.db2.gz XJUGATHVEOWWJX-MRVPVSSYSA-N -1 1 315.276 2.251 20 5 DEBDMM COc1cc(NC(C)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000435353429 404973882 /nfs/dbraw/zinc/97/38/82/404973882.db2.gz GVHIZDHHXGLHTB-UHFFFAOYSA-N -1 1 318.289 2.142 20 5 DEBDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc([O-])cc1F ZINC000436825967 405147160 /nfs/dbraw/zinc/14/71/60/405147160.db2.gz ISXDLMAGGBSHSB-UHFFFAOYSA-N -1 1 304.277 2.412 20 5 DEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(Cc2ccccc2)C1 ZINC000361701989 405204920 /nfs/dbraw/zinc/20/49/20/405204920.db2.gz SFMLVRPMLNOBNV-UHFFFAOYSA-N -1 1 313.313 2.010 20 5 DEBDMM O=[N+]([O-])c1cc(Br)ccc1SCc1nn[n-]n1 ZINC000447347153 405411065 /nfs/dbraw/zinc/41/10/65/405411065.db2.gz JRGFXUWQPCAOTD-UHFFFAOYSA-N -1 1 316.140 2.163 20 5 DEBDMM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525086553 406467825 /nfs/dbraw/zinc/46/78/25/406467825.db2.gz VISZHGSCXLADBT-LLVKDONJSA-N -1 1 315.395 2.483 20 5 DEBDMM C[C@H]1C[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000572408809 406662603 /nfs/dbraw/zinc/66/26/03/406662603.db2.gz MGOGVGKBXAJRLV-CMPLNLGQSA-N -1 1 319.361 2.259 20 5 DEBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000294946153 278326147 /nfs/dbraw/zinc/32/61/47/278326147.db2.gz XPUYMSHUCLSQCF-QWRGUYRKSA-N -1 1 305.334 2.346 20 5 DEBDMM C[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])c2c([O-])cccc21 ZINC000274405587 279715151 /nfs/dbraw/zinc/71/51/51/279715151.db2.gz TZYHJCLOYUEICG-VIFPVBQESA-N -1 1 316.317 2.188 20 5 DEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](c2ccccc2)C1 ZINC000124157686 280168047 /nfs/dbraw/zinc/16/80/47/280168047.db2.gz NJIMTWQCWLXLEL-GFCCVEGCSA-N -1 1 313.313 2.325 20 5 DEBDMM O=C([O-])C[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000819385448 597043802 /nfs/dbraw/zinc/04/38/02/597043802.db2.gz RDNQRQOVMOYOGV-LLVKDONJSA-N -1 1 318.333 2.089 20 5 DEBDMM COCCN(CCC(=O)[O-])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000831730072 601115193 /nfs/dbraw/zinc/11/51/93/601115193.db2.gz SQPYQFFAXJRLKB-UHFFFAOYSA-N -1 1 316.741 2.171 20 5 DEBDMM C[C@@](CNC(=O)[O-])(NCc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000824952336 604340900 /nfs/dbraw/zinc/34/09/00/604340900.db2.gz NSCPMWCEFBFHKL-AWEZNQCLSA-N -1 1 311.313 2.260 20 5 DEBDMM CC1CCC(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820690018 606700826 /nfs/dbraw/zinc/70/08/26/606700826.db2.gz FLAWOXBPQGCBCO-UHFFFAOYSA-N -1 1 317.353 2.408 20 5 DEBDMM CC1CCC(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820690018 606700828 /nfs/dbraw/zinc/70/08/28/606700828.db2.gz FLAWOXBPQGCBCO-UHFFFAOYSA-N -1 1 317.353 2.408 20 5 DEBDMM CC(C)(C)CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000819914075 606711535 /nfs/dbraw/zinc/71/15/35/606711535.db2.gz JTHBUXUGEABXTE-UHFFFAOYSA-N -1 1 305.342 2.408 20 5 DEBDMM CC(C)(C)CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000819914075 606711536 /nfs/dbraw/zinc/71/15/36/606711536.db2.gz JTHBUXUGEABXTE-UHFFFAOYSA-N -1 1 305.342 2.408 20 5 DEBDMM 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606711554 /nfs/dbraw/zinc/71/15/54/606711554.db2.gz WZEDVSMHTDREBS-UHFFFAOYSA-N -1 1 317.353 2.186 20 5 DEBDMM CC(C)C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820039461 606717881 /nfs/dbraw/zinc/71/78/81/606717881.db2.gz XBZGECLFQJCFNU-UHFFFAOYSA-N -1 1 303.326 2.018 20 5 DEBDMM CC(C)C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820039461 606717883 /nfs/dbraw/zinc/71/78/83/606717883.db2.gz XBZGECLFQJCFNU-UHFFFAOYSA-N -1 1 303.326 2.018 20 5 DEBDMM C[C@H]1CCC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820696772 607167136 /nfs/dbraw/zinc/16/71/36/607167136.db2.gz CEQDPWNLNIDVLS-DTWKUNHWSA-N -1 1 303.326 2.161 20 5 DEBDMM C[C@H]1CCC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820696772 607167135 /nfs/dbraw/zinc/16/71/35/607167135.db2.gz CEQDPWNLNIDVLS-DTWKUNHWSA-N -1 1 303.326 2.161 20 5 DEBDMM O=C([N-]c1nc2n(n1)CCCC2)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000839440139 637878328 /nfs/dbraw/zinc/87/83/28/637878328.db2.gz NUNMTWSUVHMFRG-UHFFFAOYSA-N -1 1 323.259 2.053 20 5 DEBDMM O=C(O[C@H]1Cc2ccccc2C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071785 642581583 /nfs/dbraw/zinc/58/15/83/642581583.db2.gz LAAVACBMWAFPJZ-AWEZNQCLSA-N -1 1 313.265 2.265 20 5 DEBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc(C2CC2)no1 ZINC000780075779 642582341 /nfs/dbraw/zinc/58/23/41/642582341.db2.gz MGOMCWHXHAWDFD-ZETCQYMHSA-N -1 1 319.273 2.479 20 5 DEBDMM COc1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000780075793 642582350 /nfs/dbraw/zinc/58/23/50/642582350.db2.gz PNSRXTTZTQNGKZ-UHFFFAOYSA-N -1 1 304.258 2.061 20 5 DEBDMM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814973942 646953649 /nfs/dbraw/zinc/95/36/49/646953649.db2.gz WKLGNBZWKWQRRY-ZCFIWIBFSA-N -1 1 310.734 2.464 20 5 DEBDMM COc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000821012751 647969976 /nfs/dbraw/zinc/96/99/76/647969976.db2.gz NSSYEGXAYCXDOS-GQCTYLIASA-N -1 1 303.274 2.278 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC/C=C/c1ccccc1 ZINC000823624589 648456818 /nfs/dbraw/zinc/45/68/18/648456818.db2.gz DSLMYOYIMOCJNK-QPJJXVBHSA-N -1 1 323.316 2.295 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC/C=C/c1ccccc1 ZINC000823624589 648456820 /nfs/dbraw/zinc/45/68/20/648456820.db2.gz DSLMYOYIMOCJNK-QPJJXVBHSA-N -1 1 323.316 2.295 20 5 DEBDMM CC(C)n1cnc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)n1 ZINC000844731403 651162305 /nfs/dbraw/zinc/16/23/05/651162305.db2.gz GPABNVAKZHDPLD-UHFFFAOYSA-N -1 1 311.248 2.298 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCCC2)cc1F ZINC000866382167 687554427 /nfs/dbraw/zinc/55/44/27/687554427.db2.gz UTVVDUAOVZFDSV-UHFFFAOYSA-N -1 1 302.327 2.263 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@]12C[C@H]1CCCC2 ZINC000867627151 687747312 /nfs/dbraw/zinc/74/73/12/687747312.db2.gz VXYYVKQZZSNYFH-NOZJJQNGSA-N -1 1 314.338 2.345 20 5 DEBDMM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC(F)(F)C1 ZINC000872667994 689061433 /nfs/dbraw/zinc/06/14/33/689061433.db2.gz QMMQSWFBVZRUJO-UHFFFAOYSA-N -1 1 312.319 2.122 20 5 DEBDMM O=C(OC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000873369004 689223444 /nfs/dbraw/zinc/22/34/44/689223444.db2.gz VAJXDQMDHBXJFL-IIMNLJJBSA-N -1 1 307.302 2.415 20 5 DEBDMM Cn1ccc(C2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000932141223 694559289 /nfs/dbraw/zinc/55/92/89/694559289.db2.gz IBWBPYYJQGKRAR-UHFFFAOYSA-N -1 1 316.361 2.414 20 5 DEBDMM CN(C)c1nc(Nc2cc([N+](=O)[O-])ccc2F)c(N=O)c(=O)[n-]1 ZINC001175733391 794274056 /nfs/dbraw/zinc/27/40/56/794274056.db2.gz AZKNBSXBDQZXLB-UHFFFAOYSA-N -1 1 322.256 2.437 20 5 DEBDMM Cc1cc(S(=O)(=O)[N-]C(C)(C)CF)c(F)cc1[N+](=O)[O-] ZINC001118934901 795240221 /nfs/dbraw/zinc/24/02/21/795240221.db2.gz CBUBNKZCDYFLDL-UHFFFAOYSA-N -1 1 308.306 2.069 20 5 DEBDMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199815281 798543998 /nfs/dbraw/zinc/54/39/98/798543998.db2.gz YIMFOJHNICABGB-UHFFFAOYSA-N -1 1 309.263 2.226 20 5 DEBDMM Nc1cc(F)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC001204475796 800219210 /nfs/dbraw/zinc/21/92/10/800219210.db2.gz GJKVCNNMIZGBAN-UHFFFAOYSA-N -1 1 311.294 2.117 20 5 DEBDMM CC1(C)OC[C@H]2OC=C[C@@H](Oc3cc([N+](=O)[O-])ccc3[O-])[C@@H]2O1 ZINC001229395519 801268882 /nfs/dbraw/zinc/26/88/82/801268882.db2.gz JAWUMDGDOSSFEO-BNOWGMLFSA-N -1 1 323.301 2.112 20 5 DEBDMM CCOC(=O)c1cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC001210393812 801390009 /nfs/dbraw/zinc/39/00/09/801390009.db2.gz ZREGVXSEZFLCEW-UHFFFAOYSA-N -1 1 304.262 2.011 20 5 DEBDMM O=[N+]([O-])c1cc(Nc2cc3n(n2)CC(F)(F)CO3)ccc1[O-] ZINC001210395677 801390928 /nfs/dbraw/zinc/39/09/28/801390928.db2.gz AVEYTCILVVGRNV-UHFFFAOYSA-N -1 1 312.232 2.268 20 5 DEBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CCC3(CC2)OCCO3)n1 ZINC001231260761 801619839 /nfs/dbraw/zinc/61/98/39/801619839.db2.gz WSRQEKXWUFJOHD-UHFFFAOYSA-N -1 1 310.306 2.068 20 5 DEBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@@H]2COc3cscc3O2)n1 ZINC001231263770 801620484 /nfs/dbraw/zinc/62/04/84/801620484.db2.gz LUQOIPMQEASJBZ-QMMMGPOBSA-N -1 1 324.314 2.284 20 5 DEBDMM O=c1oc2cc([O-])ccc2c2cc(OC3CC(O)C3)c(O)cc12 ZINC001218261194 802161946 /nfs/dbraw/zinc/16/19/46/802161946.db2.gz WPCRGRHEVZHORD-UHFFFAOYSA-N -1 1 314.293 2.260 20 5 DEBDMM COC(=O)C[C@@H]1CCC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225667949 802999632 /nfs/dbraw/zinc/99/96/32/802999632.db2.gz XDRJOIBMTVUOBB-NXEZZACHSA-N -1 1 310.306 2.196 20 5 DEBDMM COc1cnc(=S)[n-]c1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001226242960 803077202 /nfs/dbraw/zinc/07/72/02/803077202.db2.gz WPQOMGKZHDBGPS-LLVKDONJSA-N -1 1 319.342 2.228 20 5 DEBDMM COC(=O)c1ccc([C@@H](C)Oc2nc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001228142836 803325845 /nfs/dbraw/zinc/32/58/45/803325845.db2.gz HNUNFPDCAUGSGA-MRVPVSSYSA-N -1 1 319.273 2.017 20 5 DEBDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001589307737 953756453 /nfs/dbraw/zinc/75/64/53/953756453.db2.gz CLJCCFSUTYLKGM-ZJUUUORDSA-N -1 1 319.317 2.421 20 5 DEBDMM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001599841119 988832142 /nfs/dbraw/zinc/83/21/42/988832142.db2.gz MLMBYNPWASBYBK-YGRLFVJLSA-N -1 1 301.302 2.466 20 5 DEBDMM COC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599203062 997352652 /nfs/dbraw/zinc/35/26/52/997352652.db2.gz KSUKDRLFRQYKHT-ZDUSSCGKSA-N -1 1 308.334 2.294 20 5 DEBDMM COc1cc(CN2CCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001599407686 997355996 /nfs/dbraw/zinc/35/59/96/997355996.db2.gz PUORFGZQGAWGCB-SNVBAGLBSA-N -1 1 312.297 2.182 20 5 DEBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C2CC2)cc1-c1nnn[n-]1 ZINC001607081710 1071291303 /nfs/dbraw/zinc/29/13/03/1071291303.db2.gz FWVSGJFUQYAIHE-GFCCVEGCSA-N -1 1 300.322 2.154 20 5 DEBDMM O=[N+]([O-])c1c(NCCC2(F)CCC2)cccc1-c1nnn[n-]1 ZINC001607078436 1071288518 /nfs/dbraw/zinc/28/85/18/1071288518.db2.gz ZPCPHGSJHLGXLJ-UHFFFAOYSA-N -1 1 306.301 2.469 20 5 DEBDMM O=[N+]([O-])c1c(NCCC2(F)CCC2)cccc1-c1nn[n-]n1 ZINC001607078436 1071288523 /nfs/dbraw/zinc/28/85/23/1071288523.db2.gz ZPCPHGSJHLGXLJ-UHFFFAOYSA-N -1 1 306.301 2.469 20 5 DEBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C2CC2)cc1-c1nn[n-]n1 ZINC001607081710 1071291312 /nfs/dbraw/zinc/29/13/12/1071291312.db2.gz FWVSGJFUQYAIHE-GFCCVEGCSA-N -1 1 300.322 2.154 20 5 DEBDMM C[C@H](C(=O)[N-]OCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC001451090775 1056671187 /nfs/dbraw/zinc/67/11/87/1056671187.db2.gz KUHZKKDRZDKOJR-NSHDSACASA-N -1 1 301.302 2.341 20 5 DEBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(C)ccc2[N+](=O)[O-])n1 ZINC001532454707 1071664491 /nfs/dbraw/zinc/66/44/91/1071664491.db2.gz LQGUTXQRLHNUDP-UHFFFAOYSA-N -1 1 318.289 2.055 20 5 DEBDMM Cc1c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])noc1C(C)(C)C ZINC001462270416 1058791729 /nfs/dbraw/zinc/79/17/29/1058791729.db2.gz YOYTUOXAVARUAS-UHFFFAOYSA-N -1 1 307.310 2.175 20 5 DEBDMM COC(=O)[C@@H](C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC001468925995 1059873171 /nfs/dbraw/zinc/87/31/71/1059873171.db2.gz ULKSJEOWEFYJPI-VIFPVBQESA-N -1 1 317.301 2.452 20 5 DEBDMM CC(C)(C(=O)Nc1cccc(F)c1[O-])n1cc([N+](=O)[O-])cn1 ZINC001471166901 1060187525 /nfs/dbraw/zinc/18/75/25/1060187525.db2.gz SYSXCWLUBCBZIJ-UHFFFAOYSA-N -1 1 308.269 2.010 20 5 DEBDMM O=C(Nc1ccnn1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC001635961871 1078463450 /nfs/dbraw/zinc/46/34/50/1078463450.db2.gz UCDLDNVMAMPISX-UHFFFAOYSA-N -1 1 315.264 2.500 20 5 DEBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn3c2CCCC3)n1 ZINC001640266073 1078651894 /nfs/dbraw/zinc/65/18/94/1078651894.db2.gz YTXLASXNUBSIGB-UHFFFAOYSA-N -1 1 317.305 2.053 20 5 DEBDMM COc1cc([N+](=O)[O-])c(C(=O)Nc2c[n-][nH]c2=O)cc1SC ZINC001641598037 1078720376 /nfs/dbraw/zinc/72/03/76/1078720376.db2.gz HMRSTNRRFHKRMJ-UHFFFAOYSA-N -1 1 324.318 2.006 20 5 DEBDMM COc1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC001642061895 1078741346 /nfs/dbraw/zinc/74/13/46/1078741346.db2.gz BETBOLONKNXABH-UHFFFAOYSA-N -1 1 314.710 2.361 20 5 DEBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC001561147720 1075151954 /nfs/dbraw/zinc/15/19/54/1075151954.db2.gz KDXVLEZNACOCAN-NSHDSACASA-N -1 1 321.358 2.338 20 5 DEBDMM Cc1ccc(OCc2nc(-c3nnn[n-]3)cs2)cc1[N+](=O)[O-] ZINC001581211263 1076051351 /nfs/dbraw/zinc/05/13/51/1076051351.db2.gz ZGAICPRKLSBEOK-UHFFFAOYSA-N -1 1 318.318 2.119 20 5 DEBDMM Cc1ccc(OCc2nc(-c3nn[n-]n3)cs2)cc1[N+](=O)[O-] ZINC001581211263 1076051354 /nfs/dbraw/zinc/05/13/54/1076051354.db2.gz ZGAICPRKLSBEOK-UHFFFAOYSA-N -1 1 318.318 2.119 20 5 DEBDMM CC(C)[C@]1(C)C[C@@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589490583 1076492263 /nfs/dbraw/zinc/49/22/63/1076492263.db2.gz MFRHWWZDHDGXBN-ZANVPECISA-N -1 1 303.326 2.016 20 5 DEBDMM CC(C)[C@]1(C)C[C@@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589490583 1076492266 /nfs/dbraw/zinc/49/22/66/1076492266.db2.gz MFRHWWZDHDGXBN-ZANVPECISA-N -1 1 303.326 2.016 20 5 DEBDMM CC(C)OCCCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589747810 1076508718 /nfs/dbraw/zinc/50/87/18/1076508718.db2.gz DYGYKVAQWSXHTG-UHFFFAOYSA-N -1 1 320.353 2.392 20 5 DEBDMM CC(C)OCCCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589747810 1076508722 /nfs/dbraw/zinc/50/87/22/1076508722.db2.gz DYGYKVAQWSXHTG-UHFFFAOYSA-N -1 1 320.353 2.392 20 5 DEBDMM CC1(C)CCC(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)CC1 ZINC001590090427 1076559925 /nfs/dbraw/zinc/55/99/25/1076559925.db2.gz LITZKLSUHQZBPV-UHFFFAOYSA-N -1 1 305.342 2.188 20 5 DEBDMM CC1(C)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(C)C ZINC001590108370 1076566636 /nfs/dbraw/zinc/56/66/36/1076566636.db2.gz WNEVJCGGNMQJIC-UHFFFAOYSA-N -1 1 302.338 2.400 20 5 DEBDMM CC1(C)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(C)C ZINC001590108370 1076566641 /nfs/dbraw/zinc/56/66/41/1076566641.db2.gz WNEVJCGGNMQJIC-UHFFFAOYSA-N -1 1 302.338 2.400 20 5 DEBDMM C[C@]1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCS1 ZINC001590136779 1076571801 /nfs/dbraw/zinc/57/18/01/1076571801.db2.gz YRPBJIDHKBWPNX-CYBMUJFWSA-N -1 1 320.378 2.473 20 5 DEBDMM C[C@]1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCCS1 ZINC001590136779 1076571805 /nfs/dbraw/zinc/57/18/05/1076571805.db2.gz YRPBJIDHKBWPNX-CYBMUJFWSA-N -1 1 320.378 2.473 20 5 DEBDMM C[C@H]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)O1 ZINC001590244006 1076597074 /nfs/dbraw/zinc/59/70/74/1076597074.db2.gz QUMURNGUWKCFLI-ONGXEEELSA-N -1 1 318.337 2.144 20 5 DEBDMM CO[C@](C)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CC1 ZINC001591318261 1076721771 /nfs/dbraw/zinc/72/17/71/1076721771.db2.gz OGNVQQXFSYQWIE-CQSZACIVSA-N -1 1 318.337 2.002 20 5 DEBDMM COC1([C@H](C)Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCC1 ZINC001591337433 1076726133 /nfs/dbraw/zinc/72/61/33/1076726133.db2.gz FQVNZYZZNYLDGT-VIFPVBQESA-N -1 1 318.337 2.144 20 5 DEBDMM Cc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cn1 ZINC001592166838 1076865650 /nfs/dbraw/zinc/86/56/50/1076865650.db2.gz KCUDZGBLXGHFOV-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cn1 ZINC001592166838 1076865653 /nfs/dbraw/zinc/86/56/53/1076865653.db2.gz KCUDZGBLXGHFOV-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H](C1CC1)C1CCC1 ZINC001593466179 1077005443 /nfs/dbraw/zinc/00/54/43/1077005443.db2.gz NTIKHOSGOYTTIQ-NSHDSACASA-N -1 1 315.337 2.161 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H](C1CC1)C1CCC1 ZINC001593466179 1077005449 /nfs/dbraw/zinc/00/54/49/1077005449.db2.gz NTIKHOSGOYTTIQ-NSHDSACASA-N -1 1 315.337 2.161 20 5 DEBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Oc1cncc(F)c1 ZINC001593466431 1077005548 /nfs/dbraw/zinc/00/55/48/1077005548.db2.gz BTXZFLOPZAHVGT-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM O=[N+]([O-])c1cc(NCC[C@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC001593473418 1077007424 /nfs/dbraw/zinc/00/74/24/1077007424.db2.gz BKLKEQRGDHBICR-LLVKDONJSA-N -1 1 318.337 2.146 20 5 DEBDMM O=[N+]([O-])c1cc(N[C@@H]2CCCSC2)ccc1-c1nn[n-]n1 ZINC001593473549 1077007703 /nfs/dbraw/zinc/00/77/03/1077007703.db2.gz HRAIGUOVVWDAQJ-SECBINFHSA-N -1 1 306.351 2.082 20 5 DEBDMM Cc1noc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001600812467 1077276784 /nfs/dbraw/zinc/27/67/84/1077276784.db2.gz HDGVLFRUIGTIDD-JTQLQIEISA-N -1 1 311.338 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/nfs/dbraw/zinc/01/36/54/356013654.db2.gz RTMOPFOCQAQJCR-UHFFFAOYSA-N -1 1 311.294 2.238 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCSC2(CCC2)CC1 ZINC000591088325 357673935 /nfs/dbraw/zinc/67/39/35/357673935.db2.gz FFWKILCNMIDBSM-UHFFFAOYSA-N -1 1 323.374 2.197 20 5 DEBDMM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610212213 361368242 /nfs/dbraw/zinc/36/82/42/361368242.db2.gz NVLRYSIQXKJYJE-WDEREUQCSA-N -1 1 313.379 2.237 20 5 DEBDMM CCNC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000343193729 132659655 /nfs/dbraw/zinc/65/96/55/132659655.db2.gz ISOHIOUSBRKXAY-UHFFFAOYSA-N -1 1 316.317 2.233 20 5 DEBDMM Cc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000362282425 133221543 /nfs/dbraw/zinc/22/15/43/133221543.db2.gz FNSXMKNMDIOMGH-UHFFFAOYSA-N -1 1 313.313 2.202 20 5 DEBDMM CN(Cc1ccc(F)cc1F)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000349644166 146392156 /nfs/dbraw/zinc/39/21/56/146392156.db2.gz KQERTKDDAVVOQD-UHFFFAOYSA-N -1 1 323.255 2.246 20 5 DEBDMM CS[C@@H]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187106023 402483306 /nfs/dbraw/zinc/48/33/06/402483306.db2.gz NAFLCAJQKAENBF-VHSXEESVSA-N -1 1 311.363 2.099 20 5 DEBDMM O=C(NC[C@H]1CCCC(F)(F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000282360422 403146777 /nfs/dbraw/zinc/14/67/77/403146777.db2.gz XJUGATHVEOWWJX-QMMMGPOBSA-N -1 1 315.276 2.251 20 5 DEBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000288082942 403721009 /nfs/dbraw/zinc/72/10/09/403721009.db2.gz FTELYTHFZAWROR-UHFFFAOYSA-N -1 1 315.276 2.345 20 5 DEBDMM CN(C)c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2o1 ZINC000361848478 403905310 /nfs/dbraw/zinc/90/53/10/403905310.db2.gz AYCSVDKIYSHUOG-UHFFFAOYSA-N -1 1 315.289 2.382 20 5 DEBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)cn1 ZINC000338909226 404616482 /nfs/dbraw/zinc/61/64/82/404616482.db2.gz GPQIXNFBRBGBEH-ZETCQYMHSA-N -1 1 322.708 2.235 20 5 DEBDMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000436670272 405121151 /nfs/dbraw/zinc/12/11/51/405121151.db2.gz DLUXCUGOCBAUST-SNVBAGLBSA-N -1 1 314.297 2.361 20 5 DEBDMM CC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436955640 405167493 /nfs/dbraw/zinc/16/74/93/405167493.db2.gz HMGHMSIDFQMAOL-UHFFFAOYSA-N -1 1 316.269 2.461 20 5 DEBDMM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439968593 405298376 /nfs/dbraw/zinc/29/83/76/405298376.db2.gz RALRLJGDQGFDOF-RISCZKNCSA-N -1 1 313.313 2.056 20 5 DEBDMM CCC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000556330729 405474276 /nfs/dbraw/zinc/47/42/76/405474276.db2.gz TXFYEHIPRARCBR-LLVKDONJSA-N -1 1 315.395 2.483 20 5 DEBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(F)F ZINC000451081820 406042899 /nfs/dbraw/zinc/04/28/99/406042899.db2.gz LDLCAWQLPARTTG-LURJTMIESA-N -1 1 314.335 2.287 20 5 DEBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(F)F)c1C ZINC000555412542 406843437 /nfs/dbraw/zinc/84/34/37/406843437.db2.gz AJAFTMRVEQPFKN-UHFFFAOYSA-N -1 1 308.306 2.145 20 5 DEBDMM Cc1cc(N2CC[C@@H](C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262059066 301340471 /nfs/dbraw/zinc/34/04/71/301340471.db2.gz DTVRLDUWRRBLKK-SNVBAGLBSA-N -1 1 301.302 2.362 20 5 DEBDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000339166878 521573738 /nfs/dbraw/zinc/57/37/38/521573738.db2.gz GFFJXIQANCBZSP-UHFFFAOYSA-N -1 1 318.289 2.055 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(C2CCCCC2)C1 ZINC000294412309 534768465 /nfs/dbraw/zinc/76/84/65/534768465.db2.gz UHLMOVMZPHTGDW-UHFFFAOYSA-N -1 1 305.334 2.348 20 5 DEBDMM CSCC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821961497 607347772 /nfs/dbraw/zinc/34/77/72/607347772.db2.gz JSWBATQJUJAWCS-SECBINFHSA-N -1 1 322.394 2.353 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC000738374159 599324702 /nfs/dbraw/zinc/32/47/02/599324702.db2.gz JZGMTSSFXXQRIW-UHFFFAOYSA-N -1 1 302.225 2.101 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC000738374159 599324705 /nfs/dbraw/zinc/32/47/05/599324705.db2.gz JZGMTSSFXXQRIW-UHFFFAOYSA-N -1 1 302.225 2.101 20 5 DEBDMM Cc1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000826292426 607542927 /nfs/dbraw/zinc/54/29/27/607542927.db2.gz UXCIBVFDOPXRAT-UHFFFAOYSA-N -1 1 312.289 2.057 20 5 DEBDMM Cc1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000826292426 607542930 /nfs/dbraw/zinc/54/29/30/607542930.db2.gz UXCIBVFDOPXRAT-UHFFFAOYSA-N -1 1 312.289 2.057 20 5 DEBDMM O=[N+]([O-])c1cnc(Sc2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC000823651140 606594113 /nfs/dbraw/zinc/59/41/13/606594113.db2.gz GUPLFOXSKJRHCB-UHFFFAOYSA-N -1 1 318.293 2.460 20 5 DEBDMM Cc1cccnc1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822369385 606645761 /nfs/dbraw/zinc/64/57/61/606645761.db2.gz IEGGIGUNOCGQKQ-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM C[C@H]1CCCC[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820697985 606700870 /nfs/dbraw/zinc/70/08/70/606700870.db2.gz OQAZYBBOCDWMHL-VHSXEESVSA-N -1 1 317.353 2.408 20 5 DEBDMM C[C@H]1CCCC[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820697985 606700872 /nfs/dbraw/zinc/70/08/72/606700872.db2.gz OQAZYBBOCDWMHL-VHSXEESVSA-N -1 1 317.353 2.408 20 5 DEBDMM CCc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821487560 607161090 /nfs/dbraw/zinc/16/10/90/607161090.db2.gz WMAAZWMMVACJSJ-UHFFFAOYSA-N -1 1 311.305 2.476 20 5 DEBDMM CCc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821487560 607161091 /nfs/dbraw/zinc/16/10/91/607161091.db2.gz WMAAZWMMVACJSJ-UHFFFAOYSA-N -1 1 311.305 2.476 20 5 DEBDMM C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000824949701 607840115 /nfs/dbraw/zinc/84/01/15/607840115.db2.gz YMWLRKSXSCFFTG-SNVBAGLBSA-N -1 1 302.338 2.401 20 5 DEBDMM C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000824949701 607840116 /nfs/dbraw/zinc/84/01/16/607840116.db2.gz YMWLRKSXSCFFTG-SNVBAGLBSA-N -1 1 302.338 2.401 20 5 DEBDMM CS[C@@H](C)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000867000117 637759526 /nfs/dbraw/zinc/75/95/26/637759526.db2.gz DRXLKWDHMMXNOL-QMMMGPOBSA-N -1 1 322.383 2.072 20 5 DEBDMM CCc1noc([C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000780071801 642581459 /nfs/dbraw/zinc/58/14/59/642581459.db2.gz LGOWMCZWHMXAPP-ZETCQYMHSA-N -1 1 307.262 2.164 20 5 DEBDMM COc1cccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000780071865 642581894 /nfs/dbraw/zinc/58/18/94/642581894.db2.gz LZJMAHPYNFQXMR-UHFFFAOYSA-N -1 1 304.258 2.061 20 5 DEBDMM CCCN(CCC)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075925 642582802 /nfs/dbraw/zinc/58/28/02/642582802.db2.gz NNJURXZREOIQKQ-UHFFFAOYSA-N -1 1 324.333 2.106 20 5 DEBDMM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814988415 646955540 /nfs/dbraw/zinc/95/55/40/646955540.db2.gz FZCRCONYPGADJX-BQBZGAKWSA-N -1 1 322.745 2.322 20 5 DEBDMM Cc1cc(N2CC(C[N-]C(=O)C(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC000866294232 687525827 /nfs/dbraw/zinc/52/58/27/687525827.db2.gz NAEXKGAELRANLL-UHFFFAOYSA-N -1 1 323.296 2.079 20 5 DEBDMM CSc1cccnc1[N-]C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001144820198 791042750 /nfs/dbraw/zinc/04/27/50/791042750.db2.gz DJDKUFSHLLCSQF-UHFFFAOYSA-N -1 1 313.726 2.341 20 5 DEBDMM O=c1nc2nc[nH]c2c(Nc2ccc3cnccc3c2[N+](=O)[O-])[n-]1 ZINC001170234073 786859435 /nfs/dbraw/zinc/85/94/35/786859435.db2.gz PWRWLTISIILSTF-UHFFFAOYSA-N -1 1 323.272 2.259 20 5 DEBDMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001129639065 787233224 /nfs/dbraw/zinc/23/32/24/787233224.db2.gz IALIFAZUTYAVLT-UHFFFAOYSA-N -1 1 314.301 2.222 20 5 DEBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)ccc1N ZINC001174478563 793996899 /nfs/dbraw/zinc/99/68/99/793996899.db2.gz PASSRAKAWDBCPW-UHFFFAOYSA-N -1 1 307.331 2.286 20 5 DEBDMM Nc1cnc(N(c2cc([O-])cc([N+](=O)[O-])c2)C2CCC2)nc1 ZINC001199828209 798553388 /nfs/dbraw/zinc/55/33/88/798553388.db2.gz CIXJFWOLQMMBKM-UHFFFAOYSA-N -1 1 301.306 2.363 20 5 DEBDMM O=C(N[C@@H](CF)c1ccc(F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161741945 798927487 /nfs/dbraw/zinc/92/74/87/798927487.db2.gz ODJVCZOJFCGYOB-LBPRGKRZSA-N -1 1 323.255 2.275 20 5 DEBDMM Cc1ccc(OS(=O)(=O)c2c[n-]nc2Cl)c([N+](=O)[O-])c1 ZINC001208049949 800901739 /nfs/dbraw/zinc/90/17/39/800901739.db2.gz UTIJKNAUYSQLOS-UHFFFAOYSA-N -1 1 317.710 2.047 20 5 DEBDMM O=[N+]([O-])C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC001229395875 801269299 /nfs/dbraw/zinc/26/92/99/801269299.db2.gz MTQNTRCAFRNBFW-ZDUSSCGKSA-N -1 1 305.246 2.092 20 5 DEBDMM O=c1cc[n-]c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1[N+](=O)[O-] ZINC001225662953 802998458 /nfs/dbraw/zinc/99/84/58/802998458.db2.gz WJAYVMBLKZKUKP-NSHDSACASA-N -1 1 317.257 2.150 20 5 DEBDMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CS1 ZINC001603861575 1070125087 /nfs/dbraw/zinc/12/50/87/1070125087.db2.gz MGATUFONZQQCBK-IONNQARKSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@@H]1SCC[C@@H]1Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603955647 1070157780 /nfs/dbraw/zinc/15/77/80/1070157780.db2.gz LIXPZSUXOGBKQI-CBAPKCEASA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@@H]1SCC[C@@H]1Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603955647 1070157792 /nfs/dbraw/zinc/15/77/92/1070157792.db2.gz LIXPZSUXOGBKQI-CBAPKCEASA-N -1 1 306.351 2.081 20 5 DEBDMM CO[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605030891 1070588195 /nfs/dbraw/zinc/58/81/95/1070588195.db2.gz QRMKCSQPXXGYKC-NOZJJQNGSA-N -1 1 318.337 2.002 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@@H](CCF)C1 ZINC001607077445 1071289159 /nfs/dbraw/zinc/28/91/59/1071289159.db2.gz UURBLIVCFWRXMN-JTQLQIEISA-N -1 1 320.328 2.351 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@@H](CCF)C1 ZINC001607077445 1071289167 /nfs/dbraw/zinc/28/91/67/1071289167.db2.gz UURBLIVCFWRXMN-JTQLQIEISA-N -1 1 320.328 2.351 20 5 DEBDMM Nc1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC001466225725 1059438905 /nfs/dbraw/zinc/43/89/05/1059438905.db2.gz REEPVOVQOUXYRF-UHFFFAOYSA-N -1 1 308.681 2.183 20 5 DEBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C/C=C/Cl ZINC001475761275 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311.323 2.124 20 5 DEBDMM Cc1ccc2[nH]nnc2c1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001640540960 1078667155 /nfs/dbraw/zinc/66/71/55/1078667155.db2.gz IGIYMFYNXHBGRB-UHFFFAOYSA-N -1 1 313.273 2.132 20 5 DEBDMM O=C(N[C@@H](CF)c1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001643061838 1078782170 /nfs/dbraw/zinc/78/21/70/1078782170.db2.gz YLQJICFNQTYTFO-NSHDSACASA-N -1 1 323.255 2.275 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccoc2)cc1F ZINC001561175882 1075151744 /nfs/dbraw/zinc/15/17/44/1075151744.db2.gz GPQTYWPCUAMVLC-UHFFFAOYSA-N -1 1 314.294 2.114 20 5 DEBDMM Cc1cc(Oc2ccnc(-c3nnn[n-]3)c2)c(F)cc1[N+](=O)[O-] ZINC001581043987 1076037439 /nfs/dbraw/zinc/03/74/39/1076037439.db2.gz LOYFTHWXIIEMJN-UHFFFAOYSA-N -1 1 316.252 2.410 20 5 DEBDMM Cc1cc(Oc2ccnc(-c3nn[n-]n3)c2)c(F)cc1[N+](=O)[O-] ZINC001581043987 1076037440 /nfs/dbraw/zinc/03/74/40/1076037440.db2.gz LOYFTHWXIIEMJN-UHFFFAOYSA-N -1 1 316.252 2.410 20 5 DEBDMM CC(C)n1cc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC001589782459 1076514623 /nfs/dbraw/zinc/51/46/23/1076514623.db2.gz VHWMGUAXWKBTKE-UHFFFAOYSA-N -1 1 314.309 2.296 20 5 DEBDMM CC(C)n1cc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC001589782459 1076514629 /nfs/dbraw/zinc/51/46/29/1076514629.db2.gz VHWMGUAXWKBTKE-UHFFFAOYSA-N -1 1 314.309 2.296 20 5 DEBDMM C[C@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1(F)F ZINC001590134159 1076570660 /nfs/dbraw/zinc/57/06/60/1076570660.db2.gz PGQPSLVKINJYGZ-SECBINFHSA-N -1 1 316.293 2.294 20 5 DEBDMM C[C@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1(F)F ZINC001590134159 1076570663 /nfs/dbraw/zinc/57/06/63/1076570663.db2.gz PGQPSLVKINJYGZ-SECBINFHSA-N -1 1 316.293 2.294 20 5 DEBDMM C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CS1 ZINC001590207677 1076585009 /nfs/dbraw/zinc/58/50/09/1076585009.db2.gz HJGHVTOUERJVDA-VXNVDRBHSA-N -1 1 306.351 2.081 20 5 DEBDMM C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CS1 ZINC001590207677 1076585018 /nfs/dbraw/zinc/58/50/18/1076585018.db2.gz HJGHVTOUERJVDA-VXNVDRBHSA-N -1 1 306.351 2.081 20 5 DEBDMM CC[C@H]1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590515187 1076647204 /nfs/dbraw/zinc/64/72/04/1076647204.db2.gz YWACHQNRRYNUAC-JTQLQIEISA-N -1 1 302.338 2.320 20 5 DEBDMM CC[C@H]1CCN(c2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590515187 1076647206 /nfs/dbraw/zinc/64/72/06/1076647206.db2.gz YWACHQNRRYNUAC-JTQLQIEISA-N -1 1 302.338 2.320 20 5 DEBDMM CCCC[C@](C)(CO)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590574140 1076655645 /nfs/dbraw/zinc/65/56/45/1076655645.db2.gz WBTFFEDQCDZZEV-CQSZACIVSA-N -1 1 320.353 2.128 20 5 DEBDMM CN(CC1CCCC1)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591054975 1076706746 /nfs/dbraw/zinc/70/67/46/1076706746.db2.gz WTXXUHDFCDRPOA-UHFFFAOYSA-N -1 1 302.338 2.401 20 5 DEBDMM CN(CC1CCCC1)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591054975 1076706749 /nfs/dbraw/zinc/70/67/49/1076706749.db2.gz WTXXUHDFCDRPOA-UHFFFAOYSA-N -1 1 302.338 2.401 20 5 DEBDMM CO[C@@](C)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CC1 ZINC001591316805 1076721276 /nfs/dbraw/zinc/72/12/76/1076721276.db2.gz BOXABWQVRBGRPL-AWEZNQCLSA-N -1 1 318.337 2.002 20 5 DEBDMM CO[C@@](C)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CC1 ZINC001591316805 1076721278 /nfs/dbraw/zinc/72/12/78/1076721278.db2.gz BOXABWQVRBGRPL-AWEZNQCLSA-N -1 1 318.337 2.002 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1C[C@H]1C1CCC1 ZINC001593465358 1077004317 /nfs/dbraw/zinc/00/43/17/1077004317.db2.gz MOKHGIHISWZKOP-ONGXEEELSA-N -1 1 315.337 2.018 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1C[C@H]1C1CCC1 ZINC001593465358 1077004322 /nfs/dbraw/zinc/00/43/22/1077004322.db2.gz MOKHGIHISWZKOP-ONGXEEELSA-N -1 1 315.337 2.018 20 5 DEBDMM O=[N+]([O-])c1c(SC[C@H]2CCCO2)cccc1-c1nnn[n-]1 ZINC001593468703 1077005741 /nfs/dbraw/zinc/00/57/41/1077005741.db2.gz JCENWJHIUJRFGI-MRVPVSSYSA-N -1 1 307.335 2.046 20 5 DEBDMM O=[N+]([O-])c1c(SC[C@H]2CCCO2)cccc1-c1nn[n-]n1 ZINC001593468703 1077005747 /nfs/dbraw/zinc/00/57/47/1077005747.db2.gz JCENWJHIUJRFGI-MRVPVSSYSA-N -1 1 307.335 2.046 20 5 DEBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Sc1ncco1 ZINC001593466450 1077006172 /nfs/dbraw/zinc/00/61/72/1077006172.db2.gz CIHZBKZGGODASY-UHFFFAOYSA-N -1 1 308.254 2.053 20 5 DEBDMM O=[N+]([O-])c1ccc(NCc2cccc(O)c2)cc1-c1nnn[n-]1 ZINC001593478609 1077009770 /nfs/dbraw/zinc/00/97/70/1077009770.db2.gz JQWOQMAFNKWLMI-UHFFFAOYSA-N -1 1 312.289 2.093 20 5 DEBDMM O=[N+]([O-])c1ccc(NCc2cccc(O)c2)cc1-c1nn[n-]n1 ZINC001593478609 1077009776 /nfs/dbraw/zinc/00/97/76/1077009776.db2.gz JQWOQMAFNKWLMI-UHFFFAOYSA-N -1 1 312.289 2.093 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCc1ccoc1 ZINC001593488747 1077010904 /nfs/dbraw/zinc/01/09/04/1077010904.db2.gz LTVOTYSOCRSJAK-UHFFFAOYSA-N -1 1 306.307 2.084 20 5 DEBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCc1ccoc1 ZINC001593488747 1077010908 /nfs/dbraw/zinc/01/09/08/1077010908.db2.gz LTVOTYSOCRSJAK-UHFFFAOYSA-N -1 1 306.307 2.084 20 5 DEBDMM Cc1nc([C@H](C)Nc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC001600792354 1077271424 /nfs/dbraw/zinc/27/14/24/1077271424.db2.gz LZTMWGFQOOUOBQ-JQTRYQTASA-N -1 1 317.305 2.292 20 5 DEBDMM O=C([O-])c1ccsc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001601635034 1077421778 /nfs/dbraw/zinc/42/17/78/1077421778.db2.gz JXGDGCXXMURKCL-UHFFFAOYSA-N -1 1 308.271 2.312 20 5 DEBDMM O=C([O-])C[C@@H]1CCCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001601949729 1077481777 /nfs/dbraw/zinc/48/17/77/1077481777.db2.gz ZDRUTCCMVUVRSF-LBPRGKRZSA-N -1 1 318.333 2.231 20 5 DEBDMM Cn1ncc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1C(F)F ZINC001608158687 1077600884 /nfs/dbraw/zinc/60/08/84/1077600884.db2.gz BXCZPEJPCBAXSO-UHFFFAOYSA-N -1 1 313.220 2.103 20 5 DEBDMM CO[C@@H]([C@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C1CC1 ZINC001609309517 1077829548 /nfs/dbraw/zinc/82/95/48/1077829548.db2.gz QUAOAHMUBVYYEY-SDBXPKJASA-N -1 1 318.337 2.000 20 5 DEBDMM CCC[C@@H](C)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001665819835 1081086496 /nfs/dbraw/zinc/08/64/96/1081086496.db2.gz OEGZYLNZTKFAQF-SNVBAGLBSA-N -1 1 301.368 2.094 20 5 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303792743 /nfs/dbraw/zinc/79/27/43/303792743.db2.gz PGSHCWVDFFZEMQ-CMPLNLGQSA-N -1 1 305.334 2.252 20 5 DEBDMM C[C@]12CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000576322886 326284746 /nfs/dbraw/zinc/28/47/46/326284746.db2.gz KUOAQWVGSFKMJA-DFANHVJVSA-N -1 1 317.345 2.204 20 5 DEBDMM CC(=O)NCC[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339206052 519667867 /nfs/dbraw/zinc/66/78/67/519667867.db2.gz NVSMQMZTJRGCSQ-ZDUSSCGKSA-N -1 1 321.377 2.039 20 5 DEBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1nccnc1-c1nn[n-]n1 ZINC000738358210 598339276 /nfs/dbraw/zinc/33/92/76/598339276.db2.gz BHSJVWWQFYKBJD-UHFFFAOYSA-N -1 1 319.668 2.011 20 5 DEBDMM O=[N+]([O-])c1cnc(Sc2cccs2)c(-c2nn[n-]n2)c1 ZINC000738374572 598653891 /nfs/dbraw/zinc/65/38/91/598653891.db2.gz QQSBDVQBSAEIIL-UHFFFAOYSA-N -1 1 306.332 2.383 20 5 DEBDMM O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nn[n-]n3)s2)nc1 ZINC000823634041 606600647 /nfs/dbraw/zinc/60/06/47/606600647.db2.gz AGZBZWPOJNCTMX-RQOWECAXSA-N -1 1 300.303 2.402 20 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CCC(CC)NC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780073133 642581888 /nfs/dbraw/zinc/58/18/88/642581888.db2.gz ZDBQGKCTFFADLE-VIFPVBQESA-N -1 1 324.333 2.151 20 5 DEBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000780075884 642582828 /nfs/dbraw/zinc/58/28/28/642582828.db2.gz NJFFUVCMFPDIJY-QMMMGPOBSA-N -1 1 311.290 2.187 20 5 DEBDMM O=C(OCCO[C@H]1CCCCO1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000792034120 644065137 /nfs/dbraw/zinc/06/51/37/644065137.db2.gz HDLZSKPOKFEKNZ-ZDUSSCGKSA-N -1 1 311.290 2.000 20 5 DEBDMM COC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000918618081 648093390 /nfs/dbraw/zinc/09/33/90/648093390.db2.gz VVXYNUVWTBYKKU-UHFFFAOYSA-N -1 1 304.262 2.354 20 5 DEBDMM Cc1cc(N2CC(C[N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000866295454 687525236 /nfs/dbraw/zinc/52/52/36/687525236.db2.gz CILQNNJPAVLFOK-UHFFFAOYSA-N -1 1 317.267 2.018 20 5 DEBDMM O=C(Nc1cc2oc(=O)[nH]c2cc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC001300589408 1151890172 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2.072 20 5 DEBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@H]2Cc3ccccc3O2)n1 ZINC001231258766 801619695 /nfs/dbraw/zinc/61/96/95/801619695.db2.gz CHNBPRXRDPWPLJ-LLVKDONJSA-N -1 1 302.286 2.386 20 5 DEBDMM CC(=O)N1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233497186 802134238 /nfs/dbraw/zinc/13/42/38/802134238.db2.gz FTOJSXRZHASDGU-MRVPVSSYSA-N -1 1 324.724 2.124 20 5 DEBDMM Cc1cccc(OC[C@H](C)Oc2nc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001228139867 803323984 /nfs/dbraw/zinc/32/39/84/803323984.db2.gz BWAJJCSVORMMGG-JTQLQIEISA-N -1 1 305.290 2.245 20 5 DEBDMM C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001228140653 803324711 /nfs/dbraw/zinc/32/47/11/803324711.db2.gz LUJWNOFJVUFBEE-ZETCQYMHSA-N -1 1 306.234 2.139 20 5 DEBDMM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001595015479 951281860 /nfs/dbraw/zinc/28/18/60/951281860.db2.gz YZSQRFIKBLKRTK-JTQLQIEISA-N -1 1 322.317 2.017 20 5 DEBDMM COc1cc(CN([C@H](C)C(=O)[O-])C2CC2)c([N+](=O)[O-])cc1F 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KZXWHCBMQGJOPD-UHFFFAOYSA-N -1 1 306.326 2.004 20 5 DEBDMM CCOC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(C)C ZINC001604422390 1070376335 /nfs/dbraw/zinc/37/63/35/1070376335.db2.gz SERYKEHXDHGRFD-LBPRGKRZSA-N -1 1 320.353 2.248 20 5 DEBDMM CCOC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(C)C ZINC001604422390 1070376351 /nfs/dbraw/zinc/37/63/51/1070376351.db2.gz SERYKEHXDHGRFD-LBPRGKRZSA-N -1 1 320.353 2.248 20 5 DEBDMM O=C([N-]c1c(F)ccnc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001527567030 1070509266 /nfs/dbraw/zinc/50/92/66/1070509266.db2.gz QPFFZUJUCMMEAT-UHFFFAOYSA-N -1 1 324.199 2.429 20 5 DEBDMM COCC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC1 ZINC001605067677 1070601829 /nfs/dbraw/zinc/60/18/29/1070601829.db2.gz FAGOGXUQIZDQOY-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM COCC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC1 ZINC001605067677 1070601831 /nfs/dbraw/zinc/60/18/31/1070601831.db2.gz FAGOGXUQIZDQOY-UHFFFAOYSA-N -1 1 318.337 2.004 20 5 DEBDMM Cc1nc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cs1 ZINC001606043637 1071028376 /nfs/dbraw/zinc/02/83/76/1071028376.db2.gz DFSMCBVDWTUVJX-UHFFFAOYSA-N -1 1 317.334 2.152 20 5 DEBDMM O=[N+]([O-])c1ccc(N2CCC[C@H](C3CC3)C2)cc1-c1nnn[n-]1 ZINC001607081863 1071291657 /nfs/dbraw/zinc/29/16/57/1071291657.db2.gz POUNSNWCGWVNGM-NSHDSACASA-N -1 1 314.349 2.401 20 5 DEBDMM O=[N+]([O-])c1ccc(N2CCC[C@H](C3CC3)C2)cc1-c1nn[n-]n1 ZINC001607081863 1071291664 /nfs/dbraw/zinc/29/16/64/1071291664.db2.gz POUNSNWCGWVNGM-NSHDSACASA-N -1 1 314.349 2.401 20 5 DEBDMM COc1ccc(CNCc2cc(C(=O)[O-])oc2C)cc1[N+](=O)[O-] ZINC001607260066 1071388230 /nfs/dbraw/zinc/38/82/30/1071388230.db2.gz PWDDNKHQQMZESH-UHFFFAOYSA-N -1 1 320.301 2.493 20 5 DEBDMM O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001469267698 1059928018 /nfs/dbraw/zinc/92/80/18/1059928018.db2.gz OAYZPAUDDSYJSC-IUODEOHRSA-N -1 1 317.276 2.063 20 5 DEBDMM Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1-c1cccnc1 ZINC001634277725 1078423616 /nfs/dbraw/zinc/42/36/16/1078423616.db2.gz DXPMOMIPUQHGKN-UHFFFAOYSA-N -1 1 312.289 2.269 20 5 DEBDMM O=C(Nc1c[n-][nH]c1=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001641601368 1078719535 /nfs/dbraw/zinc/71/95/35/1078719535.db2.gz QGZBYHCUTCHWAJ-UHFFFAOYSA-N -1 1 316.195 2.295 20 5 DEBDMM O=C([N-]c1n[nH]c(C2CCC2)n1)c1c(F)cccc1[N+](=O)[O-] ZINC001556110861 1075019080 /nfs/dbraw/zinc/01/90/80/1075019080.db2.gz GPSUFMCOMRYJQG-UHFFFAOYSA-N -1 1 305.269 2.372 20 5 DEBDMM Cc1c(OCc2ccc(-c3nnn[n-]3)o2)cccc1[N+](=O)[O-] ZINC001580561777 1075951570 /nfs/dbraw/zinc/95/15/70/1075951570.db2.gz OCXFGYAWXOLVJC-UHFFFAOYSA-N -1 1 301.262 2.255 20 5 DEBDMM Cc1c(OCc2ccc(-c3nn[n-]n3)o2)cccc1[N+](=O)[O-] ZINC001580561777 1075951574 /nfs/dbraw/zinc/95/15/74/1075951574.db2.gz OCXFGYAWXOLVJC-UHFFFAOYSA-N -1 1 301.262 2.255 20 5 DEBDMM C[C@H](C[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589803881 1076517390 /nfs/dbraw/zinc/51/73/90/1076517390.db2.gz VGDGTQSYLRZATF-NXEZZACHSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@H](C[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589803881 1076517394 /nfs/dbraw/zinc/51/73/94/1076517394.db2.gz VGDGTQSYLRZATF-NXEZZACHSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)CC(F)F ZINC001589876960 1076522901 /nfs/dbraw/zinc/52/29/01/1076522901.db2.gz ALGGPBCKVXTGDP-SSDOTTSWSA-N -1 1 312.280 2.478 20 5 DEBDMM C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)CC(F)F ZINC001589876960 1076522906 /nfs/dbraw/zinc/52/29/06/1076522906.db2.gz ALGGPBCKVXTGDP-SSDOTTSWSA-N -1 1 312.280 2.478 20 5 DEBDMM C[C@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590256247 1076602432 /nfs/dbraw/zinc/60/24/32/1076602432.db2.gz YYWBLNAKDFTVRD-DTWKUNHWSA-N -1 1 317.353 2.348 20 5 DEBDMM C[C@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590256247 1076602435 /nfs/dbraw/zinc/60/24/35/1076602435.db2.gz YYWBLNAKDFTVRD-DTWKUNHWSA-N -1 1 317.353 2.348 20 5 DEBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCC1(F)F 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CS[C@H]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187106045 402483525 /nfs/dbraw/zinc/48/35/25/402483525.db2.gz NAFLCAJQKAENBF-UWVGGRQHSA-N -1 1 311.363 2.099 20 5 DEBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000194692788 402811309 /nfs/dbraw/zinc/81/13/09/402811309.db2.gz KHTHPVLISVIEKP-ZETCQYMHSA-N -1 1 322.708 2.235 20 5 DEBDMM CC(C)c1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n[nH]1 ZINC000270821157 403228269 /nfs/dbraw/zinc/22/82/69/403228269.db2.gz ZIYFVVJHTYOJNK-MRVPVSSYSA-N -1 1 319.321 2.033 20 5 DEBDMM O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340462063 403620523 /nfs/dbraw/zinc/62/05/23/403620523.db2.gz WORJSVMVPKKTEZ-UHFFFAOYSA-N -1 1 314.301 2.302 20 5 DEBDMM CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000295301841 403842199 /nfs/dbraw/zinc/84/21/99/403842199.db2.gz OESGXRPDYAPFOV-UHFFFAOYSA-N -1 1 304.755 2.469 20 5 DEBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(F)cc1 ZINC000353025189 404723424 /nfs/dbraw/zinc/72/34/24/404723424.db2.gz QTGSFYCBSDDNSX-SECBINFHSA-N -1 1 319.292 2.368 20 5 DEBDMM Cn1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc2cc(F)ccc21 ZINC000437164360 405186983 /nfs/dbraw/zinc/18/69/83/405186983.db2.gz KUUSLRSCCNQXRV-UHFFFAOYSA-N -1 1 303.253 2.201 20 5 DEBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000438229538 405238887 /nfs/dbraw/zinc/23/88/87/405238887.db2.gz HQIDUOPXQDIBME-UHFFFAOYSA-N -1 1 316.364 2.051 20 5 DEBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2c(F)cccc2C1 ZINC000445131188 405346115 /nfs/dbraw/zinc/34/61/15/405346115.db2.gz CLVQONPBBSMNRJ-UHFFFAOYSA-N -1 1 317.276 2.033 20 5 DEBDMM CC(C)C[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000445150752 405346789 /nfs/dbraw/zinc/34/67/89/405346789.db2.gz PAJJKTOCVYTIRL-NWDGAFQWSA-N -1 1 323.349 2.019 20 5 DEBDMM COC1CCC(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445160549 405347172 /nfs/dbraw/zinc/34/71/72/405347172.db2.gz ONBSEZBNGNEUMZ-UHFFFAOYSA-N -1 1 323.349 2.021 20 5 DEBDMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277933724 274771266 /nfs/dbraw/zinc/77/12/66/274771266.db2.gz RDTXCLYWASMETQ-CYBMUJFWSA-N -1 1 313.313 2.421 20 5 DEBDMM CC[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820979332 606710534 /nfs/dbraw/zinc/71/05/34/606710534.db2.gz GYKRTRZAVOAJCW-SNVBAGLBSA-N -1 1 317.353 2.186 20 5 DEBDMM CC[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820979332 606710535 /nfs/dbraw/zinc/71/05/35/606710535.db2.gz GYKRTRZAVOAJCW-SNVBAGLBSA-N -1 1 317.353 2.186 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SCc1ccccc1 ZINC000823629823 607162117 /nfs/dbraw/zinc/16/21/17/607162117.db2.gz ITPJVLNSMLHNEK-UHFFFAOYSA-N -1 1 314.330 2.462 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1SCc1ccccc1 ZINC000823629823 607162119 /nfs/dbraw/zinc/16/21/19/607162119.db2.gz ITPJVLNSMLHNEK-UHFFFAOYSA-N -1 1 314.330 2.462 20 5 DEBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC(C)(C)C1 ZINC000825000222 609592199 /nfs/dbraw/zinc/59/21/99/609592199.db2.gz OHBPDWPGTSNEKM-SECBINFHSA-N -1 1 317.353 2.042 20 5 DEBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC(C)(C)C1 ZINC000825000222 609592200 /nfs/dbraw/zinc/59/22/00/609592200.db2.gz OHBPDWPGTSNEKM-SECBINFHSA-N -1 1 317.353 2.042 20 5 DEBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)Cc2ccccc21 ZINC000728127487 639018388 /nfs/dbraw/zinc/01/83/88/639018388.db2.gz KNZCFVCYLDABDC-SNVBAGLBSA-N -1 1 313.313 2.455 20 5 DEBDMM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809808552 646286705 /nfs/dbraw/zinc/28/67/05/646286705.db2.gz XXEAZZZHJURWEE-BQBZGAKWSA-N -1 1 322.745 2.322 20 5 DEBDMM CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832373672 649703271 /nfs/dbraw/zinc/70/32/71/649703271.db2.gz CEGBFIYNWWGOQC-UWVGGRQHSA-N -1 1 316.354 2.304 20 5 DEBDMM CN(C)c1nc(Nc2ccc(C=C[N+](=O)[O-])cc2)cc(=O)[n-]1 ZINC001175901246 794312986 /nfs/dbraw/zinc/31/29/86/794312986.db2.gz LZKOJSDKDYCJCZ-BQYQJAHWSA-N -1 1 301.306 2.239 20 5 DEBDMM COC(=O)c1n[nH]cc1[N-]c1nc2ccccc2cc1[N+](=O)[O-] ZINC001158636103 798441600 /nfs/dbraw/zinc/44/16/00/798441600.db2.gz YWAUGIGVEYNHLM-UHFFFAOYSA-N -1 1 313.273 2.396 20 5 DEBDMM NC(=O)c1nc(Cl)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393008 801389192 /nfs/dbraw/zinc/38/91/92/801389192.db2.gz STLIPPDHUBZLBE-UHFFFAOYSA-N -1 1 308.681 2.191 20 5 DEBDMM Nc1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001211193214 801528562 /nfs/dbraw/zinc/52/85/62/801528562.db2.gz KHXIXJQRHJTHQH-UHFFFAOYSA-N -1 1 311.294 2.117 20 5 DEBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCCC3(C2)OCCO3)n1 ZINC001231265126 801620248 /nfs/dbraw/zinc/62/02/48/801620248.db2.gz YTZZSJGWYZELPL-SNVBAGLBSA-N -1 1 310.306 2.068 20 5 DEBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@@H]2CC[C@@]3(CCCCO3)O2)n1 ZINC001231261328 801620623 /nfs/dbraw/zinc/62/06/23/801620623.db2.gz ARALIYVZXNOUIZ-XHDPSFHLSA-N -1 1 324.333 2.458 20 5 DEBDMM C[C@](COC(=O)c1ccc([N+](=O)[O-])[nH]1)(C(=O)[O-])c1ccccc1 ZINC001592772374 979391366 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1071296679 /nfs/dbraw/zinc/29/66/79/1071296679.db2.gz PPQQOFMTVOQFMX-UHFFFAOYSA-N -1 1 316.346 2.491 20 5 DEBDMM CNc1nccc(C(=O)[N-]c2cnoc2C(C)C)c1[N+](=O)[O-] ZINC001471850654 1060326873 /nfs/dbraw/zinc/32/68/73/1060326873.db2.gz PYFMFICCBUIHJG-UHFFFAOYSA-N -1 1 305.294 2.395 20 5 DEBDMM O=C(C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc([O-])cc1 ZINC001329067062 1148862236 /nfs/dbraw/zinc/86/22/36/1148862236.db2.gz JWLMBHVBZYPVBJ-UHFFFAOYSA-N -1 1 312.281 2.026 20 5 DEBDMM O=C([O-])[C@H]1CCCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001610742049 1078070249 /nfs/dbraw/zinc/07/02/49/1078070249.db2.gz NYUHIBHYFLWDQC-CYBMUJFWSA-N -1 1 318.333 2.300 20 5 DEBDMM O=C(N[C@@H]1C[C@H]1c1ccccc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001611433844 1078101460 /nfs/dbraw/zinc/10/14/60/1078101460.db2.gz KJBOYUHADOSWNJ-GXFFZTMASA-N -1 1 317.276 2.120 20 5 DEBDMM COC(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC001643050100 1078781485 /nfs/dbraw/zinc/78/14/85/1078781485.db2.gz ZAHAJZNWMVXXPT-UHFFFAOYSA-N -1 1 321.264 2.030 20 5 DEBDMM Cc1ccc(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1[N+](=O)[O-] ZINC001587682705 1076424789 /nfs/dbraw/zinc/42/47/89/1076424789.db2.gz MJCQHVASLVEGFA-UHFFFAOYSA-N -1 1 320.330 2.248 20 5 DEBDMM CC(C)[C@]1(C)C[C@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589490673 1076492981 /nfs/dbraw/zinc/49/29/81/1076492981.db2.gz MSIHJYXBMVJGIK-RISCZKNCSA-N -1 1 317.353 2.204 20 5 DEBDMM CC(C)[C@]1(C)C[C@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589490673 1076492984 /nfs/dbraw/zinc/49/29/84/1076492984.db2.gz MSIHJYXBMVJGIK-RISCZKNCSA-N -1 1 317.353 2.204 20 5 DEBDMM CC1(C)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1 ZINC001590108190 1076566020 /nfs/dbraw/zinc/56/60/20/1076566020.db2.gz RUGJTIYYZHVVRU-UHFFFAOYSA-N -1 1 320.378 2.107 20 5 DEBDMM CC1(C)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1 ZINC001590108190 1076566022 /nfs/dbraw/zinc/56/60/22/1076566022.db2.gz RUGJTIYYZHVVRU-UHFFFAOYSA-N -1 1 320.378 2.107 20 5 DEBDMM C[C@@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)[C@H](C)O1 ZINC001590191080 1076579492 /nfs/dbraw/zinc/57/94/92/1076579492.db2.gz DHUQXKQPRUJLIT-KXUCPTDWSA-N -1 1 318.337 2.000 20 5 DEBDMM C[C@@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)[C@H](C)O1 ZINC001590191080 1076579495 /nfs/dbraw/zinc/57/94/95/1076579495.db2.gz DHUQXKQPRUJLIT-KXUCPTDWSA-N -1 1 318.337 2.000 20 5 DEBDMM C[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590256249 1076602547 /nfs/dbraw/zinc/60/25/47/1076602547.db2.gz YYWBLNAKDFTVRD-RKDXNWHRSA-N -1 1 317.353 2.348 20 5 DEBDMM C[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590256249 1076602550 /nfs/dbraw/zinc/60/25/50/1076602550.db2.gz YYWBLNAKDFTVRD-RKDXNWHRSA-N -1 1 317.353 2.348 20 5 DEBDMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H]1F ZINC001590275930 1076605861 /nfs/dbraw/zinc/60/58/61/1076605861.db2.gz HKBYBVFRCVJVJZ-NKWVEPMBSA-N -1 1 312.330 2.021 20 5 DEBDMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H]1F ZINC001590275930 1076605863 /nfs/dbraw/zinc/60/58/63/1076605863.db2.gz HKBYBVFRCVJVJZ-NKWVEPMBSA-N -1 1 312.330 2.021 20 5 DEBDMM CCC(C)(C)OCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590378728 1076617447 /nfs/dbraw/zinc/61/74/47/1076617447.db2.gz ISIKSQXUPAAXTI-UHFFFAOYSA-N -1 1 320.353 2.392 20 5 DEBDMM CCC(C)(C)OCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590378728 1076617449 /nfs/dbraw/zinc/61/74/49/1076617449.db2.gz ISIKSQXUPAAXTI-UHFFFAOYSA-N -1 1 320.353 2.392 20 5 DEBDMM CO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1(C)C ZINC001591350760 1076731785 /nfs/dbraw/zinc/73/17/85/1076731785.db2.gz VTPMNKRKFGNZSC-NWDGAFQWSA-N -1 1 318.337 2.000 20 5 DEBDMM CO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1(C)C ZINC001591350760 1076731789 /nfs/dbraw/zinc/73/17/89/1076731789.db2.gz VTPMNKRKFGNZSC-NWDGAFQWSA-N -1 1 318.337 2.000 20 5 DEBDMM Cc1cc(N2C[C@H](C)C[C@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591998475 1076827045 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O=[N+]([O-])c1c(SC[C@@H]2CCCO2)cccc1-c1nnn[n-]1 ZINC001593468705 1077005215 /nfs/dbraw/zinc/00/52/15/1077005215.db2.gz JCENWJHIUJRFGI-QMMMGPOBSA-N -1 1 307.335 2.046 20 5 DEBDMM O=[N+]([O-])c1c(SC[C@@H]2CCCO2)cccc1-c1nn[n-]n1 ZINC001593468705 1077005221 /nfs/dbraw/zinc/00/52/21/1077005221.db2.gz JCENWJHIUJRFGI-QMMMGPOBSA-N -1 1 307.335 2.046 20 5 DEBDMM O=[N+]([O-])c1cc(N2CC(CC3CC3)C2)ccc1-c1nn[n-]n1 ZINC001593471636 1077007628 /nfs/dbraw/zinc/00/76/28/1077007628.db2.gz QFJGJMBVFPBRCB-UHFFFAOYSA-N -1 1 300.322 2.011 20 5 DEBDMM CO[C@H]1CCC[C@@H]1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609314721 1077831472 /nfs/dbraw/zinc/83/14/72/1077831472.db2.gz RAKYNGYOVMZEOT-SKDRFNHKSA-N -1 1 318.337 2.002 20 5 DEBDMM CO[C@H]1CCC[C@@H]1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609314721 1077831475 /nfs/dbraw/zinc/83/14/75/1077831475.db2.gz RAKYNGYOVMZEOT-SKDRFNHKSA-N -1 1 318.337 2.002 20 5 DEBDMM Cc1nc(SCCn2ccc([N+](=O)[O-])n2)[n-]c(=O)c1C1CC1 ZINC001656790006 1080124181 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O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823453870 606488792 /nfs/dbraw/zinc/48/87/92/606488792.db2.gz CQNBLUIZENKHNN-UHFFFAOYSA-N -1 1 317.286 2.056 20 5 DEBDMM O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823357537 606496403 /nfs/dbraw/zinc/49/64/03/606496403.db2.gz WYQWCNYMCGILAT-UHFFFAOYSA-N -1 1 316.302 2.089 20 5 DEBDMM O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823357537 606496405 /nfs/dbraw/zinc/49/64/05/606496405.db2.gz WYQWCNYMCGILAT-UHFFFAOYSA-N -1 1 316.302 2.089 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1C[C@@H]1c1ccccc1 ZINC000823620724 606701975 /nfs/dbraw/zinc/70/19/75/606701975.db2.gz PEGLYXGPXPCTPS-NEPJUHHUSA-N -1 1 323.316 2.138 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1C[C@@H]1c1ccccc1 ZINC000823620724 606701976 /nfs/dbraw/zinc/70/19/76/606701976.db2.gz PEGLYXGPXPCTPS-NEPJUHHUSA-N -1 1 323.316 2.138 20 5 DEBDMM CC(C)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820044626 606713041 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Cc1cccc(F)c1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770543521 641384234 /nfs/dbraw/zinc/38/42/34/641384234.db2.gz JNXHDPHZUYCJGN-UHFFFAOYSA-N -1 1 305.265 2.073 20 5 DEBDMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000902553882 643068010 /nfs/dbraw/zinc/06/80/10/643068010.db2.gz HYQFBSAVNKNBTJ-NTZNESFSSA-N -1 1 310.737 2.401 20 5 DEBDMM COC(=O)c1ccc(C(=O)OCc2csc([N+](=O)[O-])c2)[n-]1 ZINC000796359685 644724825 /nfs/dbraw/zinc/72/48/25/644724825.db2.gz AFMHLGZADATQQZ-UHFFFAOYSA-N -1 1 310.287 2.128 20 5 DEBDMM CCc1ccc(OC(=O)c2ccc(C(=O)OC)[n-]2)c([N+](=O)[O-])c1 ZINC000796890131 644808948 /nfs/dbraw/zinc/80/89/48/644808948.db2.gz GMAHJJAWYHZDEW-UHFFFAOYSA-N -1 1 318.285 2.491 20 5 DEBDMM O=c1cc(/C=C\c2cc([N+](=O)[O-])ccc2Cl)nc2nc[n-]n21 ZINC000917394452 647996127 /nfs/dbraw/zinc/99/61/27/647996127.db2.gz UUNMZQUSCVCIEO-UPHRSURJSA-N -1 1 317.692 2.150 20 5 DEBDMM C[C@]1(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000846397458 651328058 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/nfs/dbraw/zinc/32/48/88/803324888.db2.gz FIQQSBOPVCVNSF-JTQLQIEISA-N -1 1 305.290 2.245 20 5 DEBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CCOCC1 ZINC001228861605 803422750 /nfs/dbraw/zinc/42/27/50/803422750.db2.gz GBZIRIVTSRNUEM-UHFFFAOYSA-N -1 1 308.212 2.272 20 5 DEBDMM CC(C)OCCCN(C)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603354279 1069954248 /nfs/dbraw/zinc/95/42/48/1069954248.db2.gz OYXDWPYNPKJYJU-UHFFFAOYSA-N -1 1 320.353 2.026 20 5 DEBDMM CC(C)OCCCN(C)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603354279 1069954255 /nfs/dbraw/zinc/95/42/55/1069954255.db2.gz OYXDWPYNPKJYJU-UHFFFAOYSA-N -1 1 320.353 2.026 20 5 DEBDMM C[C@H]1CC(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)O1 ZINC001603861507 1070124692 /nfs/dbraw/zinc/12/46/92/1070124692.db2.gz IFVIQASLTJGPIS-IUCAKERBSA-N -1 1 318.337 2.143 20 5 DEBDMM C[C@H]1CC(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C)O1 ZINC001603861507 1070124695 /nfs/dbraw/zinc/12/46/95/1070124695.db2.gz IFVIQASLTJGPIS-IUCAKERBSA-N -1 1 318.337 2.143 20 5 DEBDMM C[C@H]1CC(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H](C)O1 ZINC001603860354 1070123364 /nfs/dbraw/zinc/12/33/64/1070123364.db2.gz CGYCANWZYRCELK-BQBZGAKWSA-N -1 1 324.366 2.204 20 5 DEBDMM C[C@H]1CC(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H](C)O1 ZINC001603860354 1070123371 /nfs/dbraw/zinc/12/33/71/1070123371.db2.gz CGYCANWZYRCELK-BQBZGAKWSA-N -1 1 324.366 2.204 20 5 DEBDMM C[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCS1 ZINC001603860820 1070123722 /nfs/dbraw/zinc/12/37/22/1070123722.db2.gz AUJUQHKLKLWVHO-RKDXNWHRSA-N -1 1 320.378 2.471 20 5 DEBDMM C[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCS1 ZINC001603860820 1070123724 /nfs/dbraw/zinc/12/37/24/1070123724.db2.gz AUJUQHKLKLWVHO-RKDXNWHRSA-N -1 1 320.378 2.471 20 5 DEBDMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001603861954 1070125414 /nfs/dbraw/zinc/12/54/14/1070125414.db2.gz OPJAYEJFHRXRON-DOFRTFSJSA-N -1 1 318.337 2.143 20 5 DEBDMM CC[C@@]1(C)CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001604083768 1070203322 /nfs/dbraw/zinc/20/33/22/1070203322.db2.gz KKAQQKCXUQCQAY-AWEZNQCLSA-N -1 1 302.338 2.401 20 5 DEBDMM CC[C@@]1(C)CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001604083768 1070203334 /nfs/dbraw/zinc/20/33/34/1070203334.db2.gz KKAQQKCXUQCQAY-AWEZNQCLSA-N -1 1 302.338 2.401 20 5 DEBDMM Cc1cc(N[C@@H]2CS[C@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605724037 1070876576 /nfs/dbraw/zinc/87/65/76/1070876576.db2.gz QQZYLTFESZDJAN-SCZZXKLOSA-N -1 1 320.378 2.389 20 5 DEBDMM Cc1cc(N[C@@H]2CS[C@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605724037 1070876604 /nfs/dbraw/zinc/87/66/04/1070876604.db2.gz QQZYLTFESZDJAN-SCZZXKLOSA-N -1 1 320.378 2.389 20 5 DEBDMM Cc1ccc(F)cc1Oc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605864006 1070953112 /nfs/dbraw/zinc/95/31/12/1070953112.db2.gz MAUHTJBCDOAFFI-UHFFFAOYSA-N -1 1 316.252 2.410 20 5 DEBDMM Cc1ccc(F)cc1Oc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605864006 1070953115 /nfs/dbraw/zinc/95/31/15/1070953115.db2.gz MAUHTJBCDOAFFI-UHFFFAOYSA-N -1 1 316.252 2.410 20 5 DEBDMM C[C@H]1CC(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](C)C1 ZINC001469956113 1060030542 /nfs/dbraw/zinc/03/05/42/1060030542.db2.gz YYFJAPCFYPJGTR-NXEZZACHSA-N -1 1 307.350 2.498 20 5 DEBDMM CC1(C)C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCS1 ZINC001635974444 1078463337 /nfs/dbraw/zinc/46/33/37/1078463337.db2.gz MBFMZLWKBQCDTD-VIFPVBQESA-N -1 1 311.363 2.099 20 5 DEBDMM O=C(Nc1cc(F)cc(F)c1[O-])c1[nH]nc([N+](=O)[O-])c1Cl ZINC001638364668 1078560467 /nfs/dbraw/zinc/56/04/67/1078560467.db2.gz NEZFQAVKHBVCJP-UHFFFAOYSA-N -1 1 318.623 2.207 20 5 DEBDMM O=C(NCC[C@H]1CCCC1(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001644481518 1078847676 /nfs/dbraw/zinc/84/76/76/1078847676.db2.gz NYRNUKKXNVDJEA-SECBINFHSA-N -1 1 315.276 2.251 20 5 DEBDMM Cc1cc(C=O)c([O-])c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC001542171567 1072453188 /nfs/dbraw/zinc/45/31/88/1072453188.db2.gz RINWBUCRQNXPFG-UHFFFAOYSA-N -1 1 314.297 2.351 20 5 DEBDMM COc1nscc1[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC001558176012 1075084529 /nfs/dbraw/zinc/08/45/29/1075084529.db2.gz OVOJJQANWDHWBW-UHFFFAOYSA-N -1 1 309.303 2.321 20 5 DEBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccsc1-c1nnn[n-]1 ZINC001582646884 1076175394 /nfs/dbraw/zinc/17/53/94/1076175394.db2.gz FAFDQSRZQGHTFK-UHFFFAOYSA-N -1 1 316.302 2.089 20 5 DEBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccsc1-c1nn[n-]n1 ZINC001582646884 1076175398 /nfs/dbraw/zinc/17/53/98/1076175398.db2.gz FAFDQSRZQGHTFK-UHFFFAOYSA-N -1 1 316.302 2.089 20 5 DEBDMM CC(C)[C@@H]1C[C@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589763302 1076511194 /nfs/dbraw/zinc/51/11/94/1076511194.db2.gz BAINMGAIKWBURY-CABZTGNLSA-N -1 1 302.338 2.479 20 5 DEBDMM C[C@@H]1C[C@H](CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H](C)O1 ZINC001590192760 1076581999 /nfs/dbraw/zinc/58/19/99/1076581999.db2.gz FQZUZAXFNBOJQO-GJMOJQLCSA-N -1 1 324.366 2.062 20 5 DEBDMM C[C@@H]1C[C@H](CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H](C)O1 ZINC001590192760 1076582004 /nfs/dbraw/zinc/58/20/04/1076582004.db2.gz FQZUZAXFNBOJQO-GJMOJQLCSA-N -1 1 324.366 2.062 20 5 DEBDMM C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H]1C ZINC001590259751 1076603099 /nfs/dbraw/zinc/60/30/99/1076603099.db2.gz AELIRGCIJWPLMZ-SFYZADRCSA-N -1 1 308.367 2.461 20 5 DEBDMM C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H]1C ZINC001590259751 1076603100 /nfs/dbraw/zinc/60/31/00/1076603100.db2.gz AELIRGCIJWPLMZ-SFYZADRCSA-N -1 1 308.367 2.461 20 5 DEBDMM CCSCCSc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590853394 1076685108 /nfs/dbraw/zinc/68/51/08/1076685108.db2.gz MVUMQHWEBOKHCJ-UHFFFAOYSA-N -1 1 312.380 2.015 20 5 DEBDMM CCSCCSc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590853394 1076685110 /nfs/dbraw/zinc/68/51/10/1076685110.db2.gz MVUMQHWEBOKHCJ-UHFFFAOYSA-N -1 1 312.380 2.015 20 5 DEBDMM Cc1c(OCc2nc(-c3nnn[n-]3)cs2)cccc1[N+](=O)[O-] ZINC001591830052 1076790844 /nfs/dbraw/zinc/79/08/44/1076790844.db2.gz DLOZDZUROPNMJK-UHFFFAOYSA-N -1 1 318.318 2.119 20 5 DEBDMM Cc1c(OCc2nc(-c3nn[n-]n3)cs2)cccc1[N+](=O)[O-] ZINC001591830052 1076790847 /nfs/dbraw/zinc/79/08/47/1076790847.db2.gz DLOZDZUROPNMJK-UHFFFAOYSA-N -1 1 318.318 2.119 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1Cc2ccc(O)cc2C1 ZINC001593466156 1077005951 /nfs/dbraw/zinc/00/59/51/1077005951.db2.gz NGQMRNREOKMEKS-UHFFFAOYSA-N -1 1 324.300 2.001 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1Cc2ccc(O)cc2C1 ZINC001593466156 1077005956 /nfs/dbraw/zinc/00/59/56/1077005956.db2.gz NGQMRNREOKMEKS-UHFFFAOYSA-N -1 1 324.300 2.001 20 5 DEBDMM Cc1nc([C@H](C)Nc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC001600792353 1077270989 /nfs/dbraw/zinc/27/09/89/1077270989.db2.gz LZTMWGFQOOUOBQ-HORMHSFOSA-N -1 1 317.305 2.292 20 5 DEBDMM O=C([O-])c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1F ZINC001601596443 1077415992 /nfs/dbraw/zinc/41/59/92/1077415992.db2.gz DWZSQVVRVCIFOL-UHFFFAOYSA-N -1 1 320.232 2.390 20 5 DEBDMM C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001609167370 1077781533 /nfs/dbraw/zinc/78/15/33/1077781533.db2.gz WCDZJNZGZWECTF-SNVBAGLBSA-N -1 1 302.338 2.401 20 5 DEBDMM C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001609167370 1077781536 /nfs/dbraw/zinc/78/15/36/1077781536.db2.gz WCDZJNZGZWECTF-SNVBAGLBSA-N -1 1 302.338 2.401 20 5 DEBDMM Cc1coc(Sc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC001609442240 1077861131 /nfs/dbraw/zinc/86/11/31/1077861131.db2.gz YGLOAWYWXNCLBK-UHFFFAOYSA-N -1 1 304.291 2.223 20 5 DEBDMM Cc1coc(Sc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001609442240 1077861133 /nfs/dbraw/zinc/86/11/33/1077861133.db2.gz YGLOAWYWXNCLBK-UHFFFAOYSA-N -1 1 304.291 2.223 20 5 DEBDMM O=[N+]([O-])c1c(N[C@H]2CCC[C@@H](F)C2)cccc1-c1nnn[n-]1 ZINC001609599842 1077881195 /nfs/dbraw/zinc/88/11/95/1077881195.db2.gz DPVMXVYYAWGMMD-BDAKNGLRSA-N -1 1 306.301 2.468 20 5 DEBDMM O=[N+]([O-])c1c(N[C@H]2CCC[C@@H](F)C2)cccc1-c1nn[n-]n1 ZINC001609599842 1077881198 /nfs/dbraw/zinc/88/11/98/1077881198.db2.gz DPVMXVYYAWGMMD-BDAKNGLRSA-N -1 1 306.301 2.468 20 5 DEBDMM C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001609782395 1077923061 /nfs/dbraw/zinc/92/30/61/1077923061.db2.gz YKSUQUFSQNGJMJ-ZETCQYMHSA-N -1 1 323.330 2.306 20 5 DEBDMM O=C(Nc1c[n-][nH]c1=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001654603382 1079972953 /nfs/dbraw/zinc/97/29/53/1079972953.db2.gz LTBHUZJMJLQFIT-UHFFFAOYSA-N -1 1 302.290 2.084 20 5 DEBDMM O=C1CC(Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234742919 1084204086 /nfs/dbraw/zinc/20/40/86/1084204086.db2.gz VQWHTHPISUVJAH-UHFFFAOYSA-N -1 1 312.277 2.468 20 5 DEBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC[C@H]1CCO1 ZINC001234876764 1084225418 /nfs/dbraw/zinc/22/54/18/1084225418.db2.gz KEMUZYYLPXNZJP-SSDOTTSWSA-N -1 1 304.096 2.231 20 5 DEBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2ccncn2)C1 ZINC001307423147 1147426085 /nfs/dbraw/zinc/42/60/85/1147426085.db2.gz XSTOQPZFTVJQIR-LBPRGKRZSA-N -1 1 314.345 2.470 20 5 DEBDMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000332669358 282901728 /nfs/dbraw/zinc/90/17/28/282901728.db2.gz RNFYLRDJBMWMNV-HOSYDEDBSA-N -1 1 305.334 2.394 20 5 DEBDMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590566360 357557857 /nfs/dbraw/zinc/55/78/57/357557857.db2.gz YKXUKLXGXAPJDX-UHFFFAOYSA-N -1 1 310.697 2.167 20 5 DEBDMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000590764387 357604801 /nfs/dbraw/zinc/60/48/01/357604801.db2.gz KSJWXURDRXSHET-LLVKDONJSA-N -1 1 313.379 2.237 20 5 DEBDMM CO[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000592350234 357864524 /nfs/dbraw/zinc/86/45/24/357864524.db2.gz AXWJFWADRLJGPI-CYBMUJFWSA-N -1 1 316.379 2.316 20 5 DEBDMM CCS[C@H]1CCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187165895 200071148 /nfs/dbraw/zinc/07/11/48/200071148.db2.gz CRSACKUNRFANTE-KOLCDFICSA-N -1 1 311.363 2.099 20 5 DEBDMM CCC[C@@]1(COC)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193770860 201121757 /nfs/dbraw/zinc/12/17/57/201121757.db2.gz ZMLJOZXHRCUOOZ-HNNXBMFYSA-N -1 1 323.349 2.117 20 5 DEBDMM C[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000451685563 243307169 /nfs/dbraw/zinc/30/71/69/243307169.db2.gz CDGIFTNLLLMDQC-QMMMGPOBSA-N -1 1 308.306 2.058 20 5 DEBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000543671647 285301817 /nfs/dbraw/zinc/30/18/17/285301817.db2.gz SSPVFRWHFJTHLR-VWYCJHECSA-N -1 1 313.379 2.093 20 5 DEBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc(OC)c1OC ZINC000340593848 132049533 /nfs/dbraw/zinc/04/95/33/132049533.db2.gz KASMCVTUDXMTRZ-UHFFFAOYSA-N -1 1 321.289 2.201 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C12CCC(CC1)C2 ZINC000368334038 133269618 /nfs/dbraw/zinc/26/96/18/133269618.db2.gz SVHDWSIRQWRBQY-UHFFFAOYSA-N -1 1 314.338 2.345 20 5 DEBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](C2CCCC2)C1 ZINC000332081288 403477705 /nfs/dbraw/zinc/47/77/05/403477705.db2.gz LQGCTXDYKJDWGY-NSHDSACASA-N -1 1 305.334 2.348 20 5 DEBDMM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC(F)(F)F ZINC000412647459 404382071 /nfs/dbraw/zinc/38/20/71/404382071.db2.gz DPMMMCMVAYWOOY-ZCFIWIBFSA-N -1 1 307.228 2.014 20 5 DEBDMM Cc1ccsc1CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352842924 404658726 /nfs/dbraw/zinc/65/87/26/404658726.db2.gz NTDGNYJEOFJZPN-UHFFFAOYSA-N -1 1 307.331 2.338 20 5 DEBDMM O=C([O-])CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000568521221 292347364 /nfs/dbraw/zinc/34/73/64/292347364.db2.gz UTSQDNYJVMSZJS-AWEZNQCLSA-N -1 1 308.334 2.051 20 5 DEBDMM CNc1nc(C(=O)[N-]c2c(C)noc2C2CC2)ccc1[N+](=O)[O-] ZINC000456012282 405471868 /nfs/dbraw/zinc/47/18/68/405471868.db2.gz SPOTTWZBVIHBEP-UHFFFAOYSA-N -1 1 317.305 2.458 20 5 DEBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)C(C)(F)F ZINC000451069820 406037649 /nfs/dbraw/zinc/03/76/49/406037649.db2.gz GKLWCODCRDEBIE-MRVPVSSYSA-N -1 1 308.306 2.225 20 5 DEBDMM Cc1cccc(C)c1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000488571002 406331937 /nfs/dbraw/zinc/33/19/37/406331937.db2.gz WLOKGYRYDUFZLR-UHFFFAOYSA-N -1 1 315.329 2.285 20 5 DEBDMM CSc1cc(O)ccc1[N-]C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000489110943 406378491 /nfs/dbraw/zinc/37/84/91/406378491.db2.gz OJLOUQSVGMFBKY-UHFFFAOYSA-N -1 1 308.319 2.306 20 5 DEBDMM CCSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC000531623791 421640868 /nfs/dbraw/zinc/64/08/68/421640868.db2.gz TXBYEPZJNITPFU-UHFFFAOYSA-N -1 1 311.348 2.206 20 5 DEBDMM NC(=O)[C@H]([N-]c1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC001120780166 782123255 /nfs/dbraw/zinc/12/32/55/782123255.db2.gz SMGANMSTRYALGC-SECBINFHSA-N -1 1 312.738 2.343 20 5 DEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCCS2)s1 ZINC000867660245 687755466 /nfs/dbraw/zinc/75/54/66/687755466.db2.gz NXVUKQQSFCLCSD-MRVPVSSYSA-N -1 1 322.433 2.220 20 5 DEBDMM COC[C@](C)(CC(=O)[O-])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000833722376 605216738 /nfs/dbraw/zinc/21/67/38/605216738.db2.gz SMZOYYQCEWCLLE-ZDUSSCGKSA-N -1 1 316.741 2.218 20 5 DEBDMM O=[N+]([O-])c1cc(NC(C2CC2)C2CC2)ccc1-c1nn[n-]n1 ZINC000826498025 607840056 /nfs/dbraw/zinc/84/00/56/607840056.db2.gz 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/nfs/dbraw/zinc/10/36/66/1070103666.db2.gz OCCTXRJJHVMHQO-SSDOTTSWSA-N -1 1 324.366 2.063 20 5 DEBDMM CO[C@@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001605028441 1070582364 /nfs/dbraw/zinc/58/23/64/1070582364.db2.gz DWULVWKIVFYUBD-GXSJLCMTSA-N -1 1 318.337 2.063 20 5 DEBDMM CO[C@@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001605028441 1070582374 /nfs/dbraw/zinc/58/23/74/1070582374.db2.gz DWULVWKIVFYUBD-GXSJLCMTSA-N -1 1 318.337 2.063 20 5 DEBDMM Cc1cc(N2CC[C@@H](C3CC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605695336 1070850242 /nfs/dbraw/zinc/85/02/42/1070850242.db2.gz WXQODTGQCLKRQL-LLVKDONJSA-N -1 1 314.349 2.320 20 5 DEBDMM Cc1cc(N2CC[C@@H](C3CC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605695336 1070850265 /nfs/dbraw/zinc/85/02/65/1070850265.db2.gz WXQODTGQCLKRQL-LLVKDONJSA-N -1 1 314.349 2.320 20 5 DEBDMM Cc1ccc(CCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)o1 ZINC001605842956 1070939984 /nfs/dbraw/zinc/93/99/84/1070939984.db2.gz CXCWLEJUKFGPNF-UHFFFAOYSA-N -1 1 314.305 2.331 20 5 DEBDMM O=[N+]([O-])c1ccc(NCC[C@@H]2CCSC2)cc1-c1nnn[n-]1 ZINC001607082867 1071290682 /nfs/dbraw/zinc/29/06/82/1071290682.db2.gz VKXIJPOSPSAEAW-SECBINFHSA-N -1 1 320.378 2.330 20 5 DEBDMM O=[N+]([O-])c1ccc(NCC[C@@H]2CCSC2)cc1-c1nn[n-]n1 ZINC001607082867 1071290689 /nfs/dbraw/zinc/29/06/89/1071290689.db2.gz VKXIJPOSPSAEAW-SECBINFHSA-N -1 1 320.378 2.330 20 5 DEBDMM COCc1nocc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC001459419212 1058158557 /nfs/dbraw/zinc/15/85/57/1058158557.db2.gz PPLVQPRCFPMPJA-UHFFFAOYSA-N -1 1 309.253 2.429 20 5 DEBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CC(C)C2)cc1F ZINC001475525336 1061012135 /nfs/dbraw/zinc/01/21/35/1061012135.db2.gz ACVNEVBZXXLOBW-UHFFFAOYSA-N -1 1 316.354 2.367 20 5 DEBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1C1CCOCC1 ZINC001636403459 1078475521 /nfs/dbraw/zinc/47/55/21/1078475521.db2.gz YNVKMCOPHBMMLB-UHFFFAOYSA-N -1 1 319.321 2.032 20 5 DEBDMM CC(=O)c1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1[O-] ZINC001638381485 1078561583 /nfs/dbraw/zinc/56/15/83/1078561583.db2.gz LQZXDYMRNYDXJR-UHFFFAOYSA-N -1 1 315.285 2.338 20 5 DEBDMM CC(C)(C(=O)Nc1c[n-][nH]c1=O)c1ccc([N+](=O)[O-])cc1F ZINC001558988526 1075110614 /nfs/dbraw/zinc/11/06/14/1075110614.db2.gz ULCJGRADMMMCEC-UHFFFAOYSA-N -1 1 308.269 2.079 20 5 DEBDMM CC(C)(NC(=O)c1ccc([O-])cn1)c1ccc([N+](=O)[O-])cc1 ZINC001566242720 1075238077 /nfs/dbraw/zinc/23/80/77/1075238077.db2.gz KGKCFYPJPVVMRW-UHFFFAOYSA-N -1 1 301.302 2.361 20 5 DEBDMM Cc1[nH]nc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)c1[N+](=O)[O-] ZINC001587680079 1076424795 /nfs/dbraw/zinc/42/47/95/1076424795.db2.gz HWBMNIVMTYFZHW-UHFFFAOYSA-N -1 1 318.186 2.435 20 5 DEBDMM CC(C)(C)OCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589197100 1076479578 /nfs/dbraw/zinc/47/95/78/1076479578.db2.gz BMOFKBSILWFCBQ-UHFFFAOYSA-N -1 1 312.355 2.063 20 5 DEBDMM CC(C)(C)OCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589197100 1076479584 /nfs/dbraw/zinc/47/95/84/1076479584.db2.gz BMOFKBSILWFCBQ-UHFFFAOYSA-N -1 1 312.355 2.063 20 5 DEBDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccn1 ZINC001589983630 1076543362 /nfs/dbraw/zinc/54/33/62/1076543362.db2.gz GKFOCJQHRDADCC-SECBINFHSA-N -1 1 311.305 2.343 20 5 DEBDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccn1 ZINC001589983630 1076543370 /nfs/dbraw/zinc/54/33/70/1076543370.db2.gz GKFOCJQHRDADCC-SECBINFHSA-N -1 1 311.305 2.343 20 5 DEBDMM CC1(C)SC[C@H]1Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590116847 1076568168 /nfs/dbraw/zinc/56/81/68/1076568168.db2.gz GEIURFZQSZBCEI-SECBINFHSA-N -1 1 306.351 2.081 20 5 DEBDMM CC1(C)SC[C@H]1Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590116847 1076568172 /nfs/dbraw/zinc/56/81/72/1076568172.db2.gz GEIURFZQSZBCEI-SECBINFHSA-N -1 1 306.351 2.081 20 5 DEBDMM CCOC(C)(C)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590780917 1076674520 /nfs/dbraw/zinc/67/45/20/1076674520.db2.gz SIAZMIUDXMHKRQ-UHFFFAOYSA-N -1 1 320.353 2.310 20 5 DEBDMM CCOC(C)(C)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590780917 1076674523 /nfs/dbraw/zinc/67/45/23/1076674523.db2.gz SIAZMIUDXMHKRQ-UHFFFAOYSA-N -1 1 320.353 2.310 20 5 DEBDMM CN(Cc1ccccc1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591148607 1076713485 /nfs/dbraw/zinc/71/34/85/1076713485.db2.gz XSXSINMJWTWZCZ-UHFFFAOYSA-N -1 1 316.346 2.473 20 5 DEBDMM CN(Cc1ccccc1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591148607 1076713487 /nfs/dbraw/zinc/71/34/87/1076713487.db2.gz XSXSINMJWTWZCZ-UHFFFAOYSA-N -1 1 316.346 2.473 20 5 DEBDMM COC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCC1 ZINC001591343276 1076729288 /nfs/dbraw/zinc/72/92/88/1076729288.db2.gz QWMLKHAGIQRQKW-UHFFFAOYSA-N -1 1 318.337 2.146 20 5 DEBDMM COC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCCC1 ZINC001591343276 1076729292 /nfs/dbraw/zinc/72/92/92/1076729292.db2.gz QWMLKHAGIQRQKW-UHFFFAOYSA-N -1 1 318.337 2.146 20 5 DEBDMM CSC1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591693566 1076774508 /nfs/dbraw/zinc/77/45/08/1076774508.db2.gz MFAADERBDAOLSY-UHFFFAOYSA-N -1 1 320.378 2.107 20 5 DEBDMM CSC1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591693566 1076774510 /nfs/dbraw/zinc/77/45/10/1076774510.db2.gz MFAADERBDAOLSY-UHFFFAOYSA-N -1 1 320.378 2.107 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC001593487759 1077011773 /nfs/dbraw/zinc/01/17/73/1077011773.db2.gz QHBYVDBELFJIIY-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM O=[N+]([O-])c1cnc(Oc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC001593487759 1077011777 /nfs/dbraw/zinc/01/17/77/1077011777.db2.gz QHBYVDBELFJIIY-UHFFFAOYSA-N -1 1 320.215 2.240 20 5 DEBDMM C[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001609156065 1077775970 /nfs/dbraw/zinc/77/59/70/1077775970.db2.gz BJONOMVSXZIIPI-VHSXEESVSA-N -1 1 318.337 2.002 20 5 DEBDMM C[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001609156065 1077775976 /nfs/dbraw/zinc/77/59/76/1077775976.db2.gz BJONOMVSXZIIPI-VHSXEESVSA-N -1 1 318.337 2.002 20 5 DEBDMM CC[C@H](C)[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])OC ZINC001609185176 1077789236 /nfs/dbraw/zinc/78/92/36/1077789236.db2.gz BRMFNHHVDRXTIA-CABZTGNLSA-N -1 1 320.353 2.248 20 5 DEBDMM CC[C@H](C)[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])OC ZINC001609185176 1077789241 /nfs/dbraw/zinc/78/92/41/1077789241.db2.gz BRMFNHHVDRXTIA-CABZTGNLSA-N -1 1 320.353 2.248 20 5 DEBDMM CS[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001609369744 1077842739 /nfs/dbraw/zinc/84/27/39/1077842739.db2.gz KSDNAUCBVQYHBK-WCBMZHEXSA-N -1 1 320.378 2.471 20 5 DEBDMM CSC1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC1 ZINC001609370127 1077843002 /nfs/dbraw/zinc/84/30/02/1077843002.db2.gz VPEUWKDJJZGIDJ-UHFFFAOYSA-N -1 1 320.378 2.473 20 5 DEBDMM CSC1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC1 ZINC001609370127 1077843007 /nfs/dbraw/zinc/84/30/07/1077843007.db2.gz VPEUWKDJJZGIDJ-UHFFFAOYSA-N -1 1 320.378 2.473 20 5 DEBDMM O=[N+]([O-])c1ccc(NCCC2(F)CCC2)cc1-c1nnn[n-]1 ZINC001609601908 1077882312 /nfs/dbraw/zinc/88/23/12/1077882312.db2.gz HPAAWKRBOQBKRS-UHFFFAOYSA-N -1 1 306.301 2.469 20 5 DEBDMM O=[N+]([O-])c1ccc(NCCC2(F)CCC2)cc1-c1nn[n-]n1 ZINC001609601908 1077882316 /nfs/dbraw/zinc/88/23/16/1077882316.db2.gz HPAAWKRBOQBKRS-UHFFFAOYSA-N -1 1 306.301 2.469 20 5 DEBDMM O=C(Nc1c[n-][nH]c1=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001648816531 1082096310 /nfs/dbraw/zinc/09/63/10/1082096310.db2.gz YWFOMQUIWKCVBB-UHFFFAOYSA-N -1 1 316.195 2.295 20 5 DEBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(F)c(F)cc2F)no1 ZINC001212893103 1087755930 /nfs/dbraw/zinc/75/59/30/1087755930.db2.gz MHTUHUBSPQYAJJ-UHFFFAOYSA-N -1 1 311.179 2.452 20 5 DEBDMM CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000581173184 357141506 /nfs/dbraw/zinc/14/15/06/357141506.db2.gz YQZWOSHWKXCIMA-WDEREUQCSA-N -1 1 313.379 2.094 20 5 DEBDMM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(OC)no1 ZINC000584808397 357312598 /nfs/dbraw/zinc/31/25/98/357312598.db2.gz PCZOAEIZNQUSLQ-UHFFFAOYSA-N -1 1 307.262 2.242 20 5 DEBDMM Cc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000180338252 199146963 /nfs/dbraw/zinc/14/69/63/199146963.db2.gz SSNLAALAPKGOCQ-GFCCVEGCSA-N -1 1 314.363 2.214 20 5 DEBDMM CCN(CCc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188209605 200209432 /nfs/dbraw/zinc/20/94/32/200209432.db2.gz JOXWBBYAYDTBLZ-UHFFFAOYSA-N -1 1 315.329 2.400 20 5 DEBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000610263668 361376144 /nfs/dbraw/zinc/37/61/44/361376144.db2.gz URVNZZMLWDIYLP-MXWKQRLJSA-N -1 1 313.379 2.093 20 5 DEBDMM Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(F)F)c1[N+](=O)[O-] ZINC000555407291 291794819 /nfs/dbraw/zinc/79/48/19/291794819.db2.gz XKWUTOAVPLJUBG-UHFFFAOYSA-N -1 1 308.306 2.145 20 5 DEBDMM CS[C@@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000123180802 402114764 /nfs/dbraw/zinc/11/47/64/402114764.db2.gz NRNHDGQVXBFTGY-SNVBAGLBSA-N -1 1 311.363 2.053 20 5 DEBDMM O=C([N-]c1nncs1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000124623715 402188830 /nfs/dbraw/zinc/18/88/30/402188830.db2.gz KNQRBSPXFFAZLH-UHFFFAOYSA-N -1 1 301.287 2.247 20 5 DEBDMM C[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])c2c([O-])cccc21 ZINC000186285433 402417927 /nfs/dbraw/zinc/41/79/27/402417927.db2.gz SBZJOTNWTRVTNS-MRVPVSSYSA-N -1 1 302.290 2.178 20 5 DEBDMM O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187030065 402479032 /nfs/dbraw/zinc/47/90/32/402479032.db2.gz JUSALPNWXLWDPZ-AXFHLTTASA-N -1 1 305.334 2.252 20 5 DEBDMM CSc1nsc([N-]C(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000172641942 402668070 /nfs/dbraw/zinc/66/80/70/402668070.db2.gz BEJHBKULUYFZOM-UHFFFAOYSA-N -1 1 302.362 2.482 20 5 DEBDMM C[C@H]1c2ccccc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193670720 402775264 /nfs/dbraw/zinc/77/52/64/402775264.db2.gz YUUBEAYDGRKKDP-JTQLQIEISA-N -1 1 313.313 2.455 20 5 DEBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c(Cl)c1 ZINC000339125320 403363348 /nfs/dbraw/zinc/36/33/48/403363348.db2.gz YPBFAPDGSDZIGY-ZJUUUORDSA-N -1 1 322.745 2.417 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/nfs/dbraw/zinc/79/66/14/405796614.db2.gz QXGVCUSLPPSCJB-UHFFFAOYSA-N -1 1 321.314 2.080 20 5 DEBDMM C[C@@H]1CC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000525703025 406495917 /nfs/dbraw/zinc/49/59/17/406495917.db2.gz UNDSHJIXILTIIP-UWVGGRQHSA-N -1 1 313.379 2.093 20 5 DEBDMM CSCC[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000129251125 196032862 /nfs/dbraw/zinc/03/28/62/196032862.db2.gz MKCQDDPCSGZCGA-QMMMGPOBSA-N -1 1 322.383 2.154 20 5 DEBDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cncs1 ZINC000338419928 525580823 /nfs/dbraw/zinc/58/08/23/525580823.db2.gz BSLAJJVQMKKGEO-MRVPVSSYSA-N -1 1 313.360 2.091 20 5 DEBDMM O=[N+]([O-])c1cc(F)cc(Oc2ncccc2-c2nn[n-]n2)c1 ZINC000823634519 607332400 /nfs/dbraw/zinc/33/24/00/607332400.db2.gz JGKJQDVYVAIGEK-UHFFFAOYSA-N -1 1 302.225 2.101 20 5 DEBDMM CSCC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821961499 607347841 /nfs/dbraw/zinc/34/78/41/607347841.db2.gz JSWBATQJUJAWCS-VIFPVBQESA-N -1 1 322.394 2.353 20 5 DEBDMM Cc1ccc([N+](=O)[O-])cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826293166 607546239 /nfs/dbraw/zinc/54/62/39/607546239.db2.gz DEVFEBIYZXNAHR-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM Cc1ccc([N+](=O)[O-])cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826293166 607546240 /nfs/dbraw/zinc/54/62/40/607546240.db2.gz DEVFEBIYZXNAHR-UHFFFAOYSA-N -1 1 311.305 2.090 20 5 DEBDMM O=C([O-])NC[C@H]1CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000834221129 605617282 /nfs/dbraw/zinc/61/72/82/605617282.db2.gz PFUKSNHIFRQOEW-ACVFHECNSA-N -1 1 305.334 2.340 20 5 DEBDMM CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC000820979675 606644631 /nfs/dbraw/zinc/64/46/31/606644631.db2.gz JFRJDHGHBVMSKT-SNVBAGLBSA-N -1 1 302.338 2.401 20 5 DEBDMM CC(C)C[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820068825 606714787 /nfs/dbraw/zinc/71/47/87/606714787.db2.gz UILMCAWFMHDPGB-JTQLQIEISA-N -1 1 317.353 2.042 20 5 DEBDMM CC(C)C[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820068825 606714788 /nfs/dbraw/zinc/71/47/88/606714788.db2.gz UILMCAWFMHDPGB-JTQLQIEISA-N -1 1 317.353 2.042 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC1=CCCCC1 ZINC000823625102 607162177 /nfs/dbraw/zinc/16/21/77/607162177.db2.gz PAYCIPHYEFNMEM-UHFFFAOYSA-N -1 1 315.337 2.472 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC1=CCCCC1 ZINC000823625102 607162179 /nfs/dbraw/zinc/16/21/79/607162179.db2.gz PAYCIPHYEFNMEM-UHFFFAOYSA-N -1 1 315.337 2.472 20 5 DEBDMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1[N+](=O)[O-] ZINC000824662863 608416612 /nfs/dbraw/zinc/41/66/12/608416612.db2.gz SQPDQNJQGRZVRL-VIFPVBQESA-N -1 1 311.305 2.343 20 5 DEBDMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1[N+](=O)[O-] ZINC000824662863 608416614 /nfs/dbraw/zinc/41/66/14/608416614.db2.gz SQPDQNJQGRZVRL-VIFPVBQESA-N -1 1 311.305 2.343 20 5 DEBDMM CC1(C)CC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000824801152 608555915 /nfs/dbraw/zinc/55/59/15/608555915.db2.gz CGSJGTSTJFTMIC-MRVPVSSYSA-N -1 1 303.326 2.161 20 5 DEBDMM CC1(C)CC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000824801152 608555916 /nfs/dbraw/zinc/55/59/16/608555916.db2.gz CGSJGTSTJFTMIC-MRVPVSSYSA-N -1 1 303.326 2.161 20 5 DEBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2CCC2)cc1Cl ZINC000841526954 650512050 /nfs/dbraw/zinc/51/20/50/650512050.db2.gz FMZPXMRRTBRXEK-UHFFFAOYSA-N -1 1 308.718 2.218 20 5 DEBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccn1 ZINC000768792869 641124225 /nfs/dbraw/zinc/12/42/25/641124225.db2.gz IIZBMTDJJIOKAT-MRVPVSSYSA-N -1 1 313.360 2.091 20 5 DEBDMM CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075166 642582553 /nfs/dbraw/zinc/58/25/53/642582553.db2.gz MLWIGWWEXJFADJ-ZJUUUORDSA-N -1 1 324.333 2.151 20 5 DEBDMM O=C(CSc1ccccn1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000916598133 647884373 /nfs/dbraw/zinc/88/43/73/647884373.db2.gz SIUXGJNGZBCVJZ-UHFFFAOYSA-N -1 1 317.326 2.039 20 5 DEBDMM CC(C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000918101106 648056354 /nfs/dbraw/zinc/05/63/54/648056354.db2.gz HCPOVIREXQSNLH-UHFFFAOYSA-N -1 1 316.317 2.313 20 5 DEBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc2[nH]ccc2c1 ZINC000823625199 648456535 /nfs/dbraw/zinc/45/65/35/648456535.db2.gz SVDNCVMHJJTBAZ-UHFFFAOYSA-N -1 1 322.288 2.395 20 5 DEBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc2[nH]ccc2c1 ZINC000823625199 648456539 /nfs/dbraw/zinc/45/65/39/648456539.db2.gz SVDNCVMHJJTBAZ-UHFFFAOYSA-N -1 1 322.288 2.395 20 5 DEBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000828203521 649149255 /nfs/dbraw/zinc/14/92/55/649149255.db2.gz IPIOXVPUNRYLEI-WCABBAIRSA-N -1 1 314.338 2.201 20 5 DEBDMM CC(C)(/C=C/Cl)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000921503663 649636895 /nfs/dbraw/zinc/63/68/95/649636895.db2.gz ODPMSXMVRCSTPW-AATRIKPKSA-N -1 1 310.784 2.466 20 5 DEBDMM C[S@](=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001447491296 1184787709 /nfs/dbraw/zinc/78/77/09/1184787709.db2.gz ONEHMIMKEGYKLC-NRFANRHFSA-N -1 1 307.331 2.054 20 5 DEBDMM