smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1NC(=O)c2c1c1c(O)cccc1c1[nH]c3ccccc3c21 28710879 LZLABXPSAGHOTR-UHFFFAOYSA-N 302.289 3.064 5 1 DGBF C[C@H]1CC[C@@H](C)N1[C@@H]1c2cc([N+](=O)[O-])ccc2OC(C)(C)[C@H]1O 29344562 OTFBPNVHKZMEKX-CJTUPEFNSA-N 320.389 3.041 5 1 DGBF Nc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 587095320 DCUJMOFLLIBLJW-UHFFFAOYSA-N 323.234 3.134 5 1 DGBF CCCCn1c2nc3ccccc3nc2c2c(=N)oc(C)nc21 4200556 MFCLCOINRKWJOT-UHFFFAOYSA-N 307.357 3.314 5 3 DGBF CCCCn1c(=O)c2ccccc2c2cc(C(=O)NC)ccc21 169326765 YKIMDBMJPAPCHP-UHFFFAOYSA-N 308.381 3.314 5 1 DGBF C[C@H](c1nc2ccc3c(c2[nH]1)CCCC3)n1cc([N+](=O)[O-])cn1 587277457 WINJGOIFTDRSAP-SNVBAGLBSA-N 311.345 3.156 5 1 DGBF O=c1c([N+](=O)[O-])c(O)[nH]c2cc(Cl)c(Cl)c(Cl)c12 13760421 QIULADNIPAPHOG-UHFFFAOYSA-N 309.492 3.102 5 1 DGBF O=C1c2ccoc2CC[C@H]1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 586906707 GOQACMNTEXHCRG-VIFPVBQESA-N 311.297 3.052 5 1 DGBF CCOC(=O)c1c[nH]c2c(ccc3nc(Cl)cc(C)c32)c1=O 103168786 VOJHQJSXLCIHAZ-UHFFFAOYSA-N 316.744 3.215 5 1 DGBF CCCCSC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 169326185 JBJXXOYEBHNRCL-UHFFFAOYSA-N 307.327 3.375 5 1 DGBF CCc1ccccc1NC(=O)c1nc2c([N+](=O)[O-])cccc2[nH]1 587240431 DRHFLEAWDMFUGH-UHFFFAOYSA-N 310.313 3.286 5 1 DGBF Cc1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587270239 SZWRGZZPQRXIHX-UHFFFAOYSA-N 320.312 3.027 5 1 DGBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])s1)[C@@H](C2)C3=O 587448650 APKRCFVGKXQRQH-BJOHPYRUSA-N 317.322 3.154 5 1 DGBF COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1OC=C[C@H]1O2 2356689476 KYGRCGGBECLWMH-BMLIUANNSA-N 324.288 3.006 5 1 DGBF Cc1cc2[nH]c(CCC(=O)c3ccc(N)cc3)nc2cc1[N+](=O)[O-] 587251380 FOXNMMFKSMZUTQ-UHFFFAOYSA-N 324.340 3.177 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc([N+](=O)[O-])c1F)O2 587385501 OOJLGPXUTADILZ-CQSZACIVSA-N 316.288 3.331 5 1 DGBF O=C(NCCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 48298038 FLCVCHLMSPICSE-UHFFFAOYSA-N 309.325 3.049 5 1 DGBF COc1ccc2c(c1)oc(=O)c1c3cc4c(cc3oc21)OCO4 14587565 ZIZYKBRERUNPAU-UHFFFAOYSA-N 310.261 3.430 5 1 DGBF biogenic,in-vitro COc1c2c(cc3cc(O)c4c(=O)cc(C)oc4c13)CCC2=O 85602776 PAPDLIMQTJVGKM-UHFFFAOYSA-N 310.305 3.098 5 1 DGBF O=c1ccc([N+](=O)[O-])c[c-]1[C@@H]1C[C@H](c2ccccc2F)N=N1 169691659 NCDAFPQWLWYRBV-KGLIPLIRSA-N 300.269 3.451 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc([N+](=O)[O-])cc31)O2 587391884 ZTVRKUWMHRYDGH-GOSISDBHSA-N 324.336 3.292 5 1 DGBF CC[C@@H](C)c1nc2c(OC)cc3ccnc4ccn(c1=O)c2c34 2356835289 KQIMIOLOUJLEFD-SNVBAGLBSA-N 307.353 3.356 5 1 DGBF CCn1cc(Cl)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1 587280128 KLDCXQWVGFQMSI-UHFFFAOYSA-N 319.704 3.442 5 1 DGBF Nc1ncc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587267589 AQWKPLXZJUHYJJ-UHFFFAOYSA-N 324.127 3.422 5 1 DGBF CCO[P@@](=O)(NC(C)C)Oc1ccc([N+](=O)[O-])cc1C 72122671 QVFXWRIXCQYGDM-FQEVSTJZSA-N 302.267 3.425 5 1 DGBF O=c1c2ccccc2oc2ccc(O[C@H]3CN4CCC3CC4)cc12 82149849 DDTQQCUNTFKPEG-IBGZPJMESA-N 321.376 3.419 5 1 DGBF O=C(O)COCc1nc2c3ccccc3c3ccccc3c2[nH]1 587563164 NUAOYFPQDFFPID-UHFFFAOYSA-N 306.321 3.471 5 1 DGBF O=c1ccc2ccc(O)c3c4c(O)ccc5ccc(=O)c(c1c23)c54 6511546 JBPCVLWEXOBCDI-UHFFFAOYSA-N 314.296 3.307 5 1 DGBF CSc1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587274811 UANDKQXZFAAWSJ-SECBINFHSA-N 317.374 3.193 5 1 DGBF Cn1s/c(=N/c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 103167975 KFXIXYJFGOBUSN-FOCLMDBBSA-N 312.354 3.289 5 1 DGBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(O)nccc3[nH]2)o1 587264273 DZYRWLVTHPATHK-UHFFFAOYSA-N 322.280 3.499 5 1 DGBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(F)c(F)c2[nH]1 587267882 HRMDVOUNBFNUCB-UHFFFAOYSA-N 321.287 3.118 5 1 DGBF C[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)N(C)C 587192650 YGEQZXLXBZPLPG-NSHDSACASA-N 305.385 3.152 5 1 DGBF Cc1ccnc2c1CCN[C@@H]2c1c[nH]c2cc([N+](=O)[O-])ccc12 963070909 HWYJSHIOIOHYIQ-QGZVFWFLSA-N 308.341 3.015 5 1 DGBF O=[N+]([O-])c1ccc(C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 28236525 OKILAXUENZZTKR-IAGOWNOFSA-N 304.390 3.078 5 1 DGBF Cc1nc(N[C@H](C)CC(C)C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821431 HEKKUDXFFBBRBP-SNVBAGLBSA-N 318.381 3.034 5 1 DGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1C(=O)c2ccccc2C1=O 587648775 LDJIODXEMJRQGH-UHFFFAOYSA-N 321.292 3.185 5 1 DGBF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1[N+](=O)[O-])CC2=O 587470521 KRICURXWMBKQOU-RDJZCZTQSA-N 319.357 3.268 5 1 DGBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(F)cc(F)c2[nH]1 587158758 IDHUAIXKPGHGLQ-UHFFFAOYSA-N 323.230 3.467 5 1 DGBF O=[N+]([O-])c1cncc2nc(-c3ccc4c(c3O)CCCC4)[nH]c12 586897791 JUWYIDCYXJZNNI-UHFFFAOYSA-N 310.313 3.118 5 1 DGBF C[N+](C)(C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1 103292312 LYEDTFGSMSUZGV-PUZFROQSSA-N 312.433 3.266 5 1 DGBF CSc1nc2c(Cl)cc([N+](=O)[O-])cc2c(O)c1C(C)=O 1857747620 QFTYNYGWLJDACM-UHFFFAOYSA-N 312.734 3.427 5 1 DGBF C[C@@H](CO)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 38540279 ZNYFJUIMEHHJBT-JTQLQIEISA-N 317.772 3.070 5 1 DGBF Cc1cc2[nH]c(-c3cc(F)c(N)c(F)c3)nc2cc1[N+](=O)[O-] 587134469 GTDLLLRLLXCVJZ-UHFFFAOYSA-N 304.256 3.307 5 1 DGBF COc1nn2cc(-c3cc4ccc([N+](=O)[O-])cc4o3)nc2s1 653671269 HJXKYCCDEOGDTP-UHFFFAOYSA-N 316.298 3.121 5 1 DGBF Nc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ccccc2n1 587254672 WOMLXADZKUHPIE-UHFFFAOYSA-N 305.297 3.269 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587152580 QKMJUMPSGMLCRB-UWVGGRQHSA-N 316.267 3.415 5 1 DGBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cnc3ccccc3c2[nH]1 587268241 YOLDBRDQBSDGMD-SNVBAGLBSA-N 322.328 3.134 5 1 DGBF CC(C)C(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 169322616 SKXQEMLIGDYTMO-UHFFFAOYSA-N 310.305 3.483 5 1 DGBF CC[C@@H](C)Sc1nc(Cc2ccc([N+](=O)[O-])cc2)cc(=O)[nH]1 13474602 BKZLLLDAYWXMHJ-SNVBAGLBSA-N 319.386 3.160 5 1 DGBF CC(C)CCNc1ccc2nnn3c4ccccc4c(=O)c1c23 101321766 ZYSCHAZRRGTUHD-UHFFFAOYSA-N 306.369 3.292 5 1 DGBF COC(=O)CCCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279361 GVSCSSRKQNQCAG-UHFFFAOYSA-N 305.286 3.257 5 1 DGBF Cc1c(CNC(=O)OC(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12 587646532 FLCYECCGBYRZOC-UHFFFAOYSA-N 305.334 3.409 5 1 DGBF CCOc1ccccc1OCc1nc2cccc([N+](=O)[O-])c2[nH]1 587780988 OBKMCSXTTNGLGP-UHFFFAOYSA-N 313.313 3.449 5 1 DGBF CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2)nc1CC(C)C 1772574435 KCPHJIMDQUPAEP-UHFFFAOYSA-N 317.345 3.156 5 1 DGBF CC[N+](C)(CC)CCS[C@@H](N=O)C(=O)c1ccc(F)cc1 169713382 IBMMPKUESWASEG-OAHLLOKOSA-N 313.418 3.321 5 1 DGBF COc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c2c1 29043570 MSPSWWVRYDIWON-UHFFFAOYSA-N 307.305 3.105 5 1 DGBF Cc1ccc(C[C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 45166987 IZQIRKWVXOWWSN-KSSFIOAISA-N 314.385 3.157 5 1 DGBF O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)ncc3[nH]2)cc1F 587152228 YCPCUYSTNHUHBB-UHFFFAOYSA-N 322.683 3.238 5 1 DGBF COc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1OC 587160114 HPCJKNPKTJENHN-UHFFFAOYSA-N 317.276 3.294 5 1 DGBF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587930600 FGMQIMTWHNQFRB-APPDUMDISA-N 324.340 3.320 5 1 DGBF Cc1cc([N+](=O)[O-])nn1CC(=O)c1coc2ccc(Cl)cc12 587276515 RHZSRODXHXNTDC-UHFFFAOYSA-N 319.704 3.382 5 1 DGBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 587160060 DVFJVKUOVSFKGJ-UHFFFAOYSA-N 315.260 3.048 5 1 DGBF CSc1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587274813 UANDKQXZFAAWSJ-VIFPVBQESA-N 317.374 3.193 5 1 DGBF COc1cc2c3c(nccc3c1[N+](=O)[O-])-c1ccccc1C2=O 66100810 DLZDROOSVPZQLL-UHFFFAOYSA-N 306.277 3.363 5 1 DGBF O=C(O)c1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1F 587160113 HPAUXEUCWMEXAZ-UHFFFAOYSA-N 319.223 3.115 5 1 DGBF COc1c(F)ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1N 587133376 PLFCBRCLRSTCNZ-UHFFFAOYSA-N 320.255 3.007 5 1 DGBF CC[C@@]1(CC[C@@H](C)[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434663 XYWDHXHQHBQYFR-JUKMUDQWSA-N 319.357 3.037 5 1 DGBF O=[N+]([O-])c1cncc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587080223 LIOWSVDEAQNAMZ-GFCCVEGCSA-N 316.704 3.196 5 1 DGBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(Cl)c2[nH]1 587267532 MIATYKHLKQIMML-UHFFFAOYSA-N 319.752 3.493 5 1 DGBF O=C(O)/C=C\c1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 586878931 IKSMGPWBJZWCQO-YVMONPNESA-N 309.281 3.236 5 1 DGBF COc1cc2ccnc3c2c(c1[N+](=O)[O-])C(=O)c1ccccc1-3 66100909 RQKZSECOVAPECY-UHFFFAOYSA-N 306.277 3.363 5 1 DGBF O=C(/C=C\c1nc2cccc([N+](=O)[O-])c2[nH]1)Nc1ccccc1 587243823 JBCCQFUIQFYHED-KTKRTIGZSA-N 308.297 3.123 5 1 DGBF COc1ccc2c(c1O)[C@@]13CCCC=C1[C@@H](C2)[N+](C)(C)CC3 1611734 GIXUGQALFXPOQK-DNVCBOLYSA-O 300.422 3.154 5 1 DGBF O=C(O)/C=C\c1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 586881331 WPWQTEPOUUEALP-HJWRWDBZSA-N 309.281 3.236 5 1 DGBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(F)cc2[nH]1 587272973 CEEDLSRSLZEKTO-ZETCQYMHSA-N 323.715 3.264 5 1 DGBF O=C(O)C(=O)CC(=O)c1ccc2ccc3c(F)cccc3c2c1 96937948 MSMBZQAJRFIEAP-UHFFFAOYSA-N 310.280 3.359 5 1 DGBF CC(=O)Nc1cccc(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587242463 LWFFGLICDCPNRG-UHFFFAOYSA-N 324.340 3.329 5 1 DGBF Cc1ccnc2c1CCN[C@@H]2c1ccc2ncccc2c1[N+](=O)[O-] 963067733 ABOPZXYERRQHTM-QGZVFWFLSA-N 320.352 3.082 5 1 DGBF CCCCn1c(=O)c2ccccc2c2cc(NC(N)=O)ccc21 1772605101 XEQKCMSUBLAGNZ-UHFFFAOYSA-N 309.369 3.445 5 1 DGBF COc1cc2c(c3ccccc3n2C)c2c(NCCN)nccc12 5932669 VDWIXXJTZUHFOR-UHFFFAOYSA-N 320.396 3.259 5 1 DGBF C[C@@H](O)N(C)CCn1c2ccccc2c2nc3ccccc3nc21 1772645968 CMAJMJYNUXKGGB-CYBMUJFWSA-N 320.396 3.008 5 1 DGBF COc1c(F)ccc(F)c1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587133537 ZNMWXRDJWMELOA-UHFFFAOYSA-N 305.240 3.425 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 587079383 DDCDCZPCHYCMEZ-LBPRGKRZSA-N 316.704 3.196 5 1 DGBF COc1cc2cc3c4c(cc5c(c4c2cc1O)OCO5)CCN3C 5966910 FHLVVQSNUMYMFW-UHFFFAOYSA-N 323.348 3.428 5 1 DGBF biogenic Cc1cc(O)cc2oc3cc4cc(=O)cc(O)c4c(O)c3c(O)c12 2356342435 ADAGTLZBYXBLBD-UHFFFAOYSA-N 324.288 3.230 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c(/C=C/c3ccc(F)cc3F)nc2c1 587151107 QDGXULHUDYJEDH-DUXPYHPUSA-N 302.240 3.315 5 1 DGBF O=c1ccc([N+](=O)[O-])c[c-]1[C@@H]1C[C@@H](c2ccccc2F)N=N1 169691657 NCDAFPQWLWYRBV-KBPBESRZSA-N 300.269 3.451 5 1 DGBF Nc1nc2oc3ccc(C4CCCC4)cc3c(=O)c2cc1C(=O)O 1857649923 IFNUUMBKQALSBU-UHFFFAOYSA-N 324.336 3.279 5 1 DGBF O=C(O)c1ccc(NCCCc2ccc([N+](=O)[O-])cc2)cc1 29203630 MRESDHNKRUCFAO-UHFFFAOYSA-N 300.314 3.338 5 1 DGBF COc1cc(OC[C@@H]2CS2)c2c(=O)c3ccccc3oc2c1 1857633221 LKVPLEURISDTRP-LLVKDONJSA-N 314.362 3.449 5 1 DGBF O=[N+]([O-])c1cc2nc(-c3ccc(Cl)nc3F)[nH]c2cc1F 587177238 DXQAUBYGKGFACM-UHFFFAOYSA-N 310.647 3.465 5 1 DGBF Cc1ccnc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c1 587647373 XLPCHXCLSCTRKL-UHFFFAOYSA-N 310.313 3.340 5 1 DGBF O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccsc2[N+](=O)[O-])cc1F 103208490 PQIAVYNCWKAUAZ-UHFFFAOYSA-N 313.222 3.279 5 1 DGBF Cc1ccc2c(ccc3nc([C@H](C)n4cc([N+](=O)[O-])cn4)[nH]c32)n1 587277672 ZTRIUIRNEZNZCR-JTQLQIEISA-N 322.328 3.134 5 1 DGBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 587130470 KMOIXQOHBKGKNC-UHFFFAOYSA-N 306.228 3.135 5 1 DGBF Cc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1F 587267235 HLABTSRTLYHYFD-VIFPVBQESA-N 303.297 3.033 5 1 DGBF O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(O)cc3O)s2)c1 95588861 PAJJDXNZWMLNFJ-UHFFFAOYSA-N 315.310 3.192 5 1 DGBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(O)cc3[nH]2)c1 587261429 BJVFIZGDJDPIRN-UHFFFAOYSA-N 313.313 3.107 5 1 DGBF O=[N+]([O-])c1cc(/C=C/c2nc3ncc[nH]c-3n2)ccc1Cl 587048655 XYNUUYWRMIXLTK-DUXPYHPUSA-N 301.693 3.037 5 1 DGBF O=C(NCc1cccc(Cl)c1)Nc1ncc([N+](=O)[O-])s1 1857578405 LJUNAVYGJIJNSH-UHFFFAOYSA-N 312.738 3.026 5 1 DGBF N=C(N)NCCCCNCc1c2ccccc2cc2ccccc12 28825490 RDASTMZIEFUQFA-UHFFFAOYSA-N 320.440 3.346 5 1 DGBF COc1ccc(N(C)c2nc(Cl)ccc2[N+](=O)[O-])cc1OC 95594634 BCSLSBDQJMLQIX-UHFFFAOYSA-N 323.736 3.428 5 1 DGBF COc1ccc(-n2nnc(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 299852247 PIOAFAYMLWGBGM-UHFFFAOYSA-N 310.313 3.160 5 1 DGBF Nc1c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cnc2c(F)cccc12 587176754 QPHKBELFXIHHTQ-UHFFFAOYSA-N 323.287 3.408 5 1 DGBF CC[N+]1(C)CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 31840912 YOHJVOJFKXCILN-DOYJUQJDSA-N 324.444 3.244 5 1 DGBF COc1cc(OCc2nc3cccc(F)c3[nH]2)ccc1[N+](=O)[O-] 587263341 RTRSJTPROHGBNM-UHFFFAOYSA-N 317.276 3.198 5 1 DGBF C[N+](C)(C)CCCOc1c2occc2cc2ccc(=O)oc12 6068086 SVPABVIJQGVSHG-UHFFFAOYSA-N 302.350 3.014 5 1 DGBF COc1cccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587930599 KJPCUXSHYHZTBP-UHFFFAOYSA-N 301.277 3.210 5 1 DGBF Cc1cc(C)n(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 1857772684 NJLKHBINEWESRQ-UHFFFAOYSA-N 311.297 3.357 5 1 DGBF O=C(CCc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1 587162854 KETNOFKSIGFSLX-UHFFFAOYSA-N 313.288 3.426 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c([N+](=O)[O-])cccc31)O2 587391892 ZVABAPRTCMWLQT-SFHVURJKSA-N 324.336 3.292 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1F)O2 587381051 FYEKBFDNZBJNJQ-OAHLLOKOSA-N 316.288 3.331 5 1 DGBF COc1cc(OCc2nc3cccc(C)c3[nH]2)ccc1[N+](=O)[O-] 587262746 FSZQLDQYYLAMJF-UHFFFAOYSA-N 313.313 3.367 5 1 DGBF CN(C)Cc1ccc2oc(-c3ccc([N+](=O)[O-])cc3)cc(=O)c2c1 103170621 KLBKNAOVTRQPIX-UHFFFAOYSA-N 324.336 3.430 5 1 DGBF O=C(O)COc1cc2c(=O)c3ccccc3oc2cc1Cl 26643232 RIOWTYNYIRTLPM-UHFFFAOYSA-N 304.685 3.063 5 1 DGBF C[N+](C)(C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1 103293677 LYEDTFGSMSUZGV-KESTWPANSA-N 312.433 3.266 5 1 DGBF COc1ccc2c(c1)cc(C(=O)CC(=O)C(=O)O)c1ccccc12 96937909 VNCCGEHHTZEHGO-UHFFFAOYSA-N 322.316 3.228 5 1 DGBF Cc1cc2[nH]c(Cc3csc4nccn34)nc2cc1[N+](=O)[O-] 587040416 LBJDEJNIEPVQFH-UHFFFAOYSA-N 313.342 3.080 5 1 DGBF Cn1cc(-c2noc([C@@H]3CCC[N+](C)(C)C3)n2)c2ccccc21 3776340 JPITXWLUENVBCW-CYBMUJFWSA-N 311.409 3.182 5 1 DGBF O=C(c1ccc2c(c1)OCO2)c1coc2cc([N+](=O)[O-])ccc12 587279341 GLHFROWGIAKZLZ-UHFFFAOYSA-N 311.249 3.301 5 1 DGBF CN1CCN(c2ccc([N+](=O)[O-])c(Oc3ccccc3)c2)CC1 28955614 ZCVWLJCGXHEUAA-UHFFFAOYSA-N 313.357 3.139 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c(F)c1)O2 587385082 LPERLPVRTBRBJJ-OAHLLOKOSA-N 316.288 3.331 5 1 DGBF COc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(Cl)n1 587083595 BNEJWCSQBZMGJL-UHFFFAOYSA-N 322.683 3.334 5 1 DGBF NC(=O)n1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)n1 3948702 TXAVIYCBJUQLRV-UHFFFAOYSA-N 324.296 3.177 5 1 DGBF Cc1cc2nc(C3=Cc4cccc(O)c4OC3)[nH]c2cc1[N+](=O)[O-] 586909305 XAPPEBPILOXWSN-UHFFFAOYSA-N 323.308 3.418 5 1 DGBF Cc1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1C 587268172 MSVRZXHAPNVODT-UHFFFAOYSA-N 313.361 3.456 5 1 DGBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cncc(Cl)c2[nH]1 587159513 PYQYFPSHTNOMAK-UHFFFAOYSA-N 322.683 3.238 5 1 DGBF Cc1nc2c(OCc3ccccc3)cccn2c1C[N+](C)(C)C 40525946 ZMGNROPVPPMCHX-UHFFFAOYSA-N 310.421 3.428 5 1 DGBF CCOCCOCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587777552 APOHGHYJZXEVII-UHFFFAOYSA-N 322.368 3.212 5 1 DGBF CN(C)CCn1nc2c3ccccc3oc3c([N+](=O)[O-])ccc1c32 28527701 TUAIOTLDAMMABA-UHFFFAOYSA-N 324.340 3.406 5 1 DGBF Cc1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 587269054 JATXNAASEWNCCG-UHFFFAOYSA-N 311.297 3.171 5 1 DGBF O=C1CCc2c1c1cc(Cl)ccc1n1c(=O)c3ccccc3n21 1911571306 GUHZKKVRFGSQIT-UHFFFAOYSA-N 322.751 3.488 5 1 DGBF CCOc1cccc(-n2cc(-c3cccc([N+](=O)[O-])c3)nn2)c1 473084552 RMVXSXVVTAGAGY-UHFFFAOYSA-N 310.313 3.241 5 1 DGBF CN(C)C[C@H](O)c1cc2c(c3c1ccc1ccccc13)OCO2 14715582 ZWKNRTYDZIWZBH-INIZCTEOSA-N 309.365 3.317 5 1 DGBF biogenic CC[C@H](C)n1cc(Cl)c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)n1 587080785 YKBZIIYPCVVVCQ-ZETCQYMHSA-N 320.740 3.354 5 1 DGBF O=[N+]([O-])c1ccc2[nH]c(/C=C/c3ccc4c(c3)OCO4)nc2c1 45286173 PZCNKFZPQSCWOG-QHHAFSJGSA-N 309.281 3.370 5 1 DGBF O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)c(F)cc2[nH]1 587269171 RHNFVIBTVMBDFE-UHFFFAOYSA-N 321.699 3.271 5 1 DGBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cccnc2[nH]1 587110354 ZZQKXPSCSSWSGU-UHFFFAOYSA-N 322.246 3.476 5 1 DGBF COc1ccc(C=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1O 2356839918 UIZZFTVKGKATKK-UHFFFAOYSA-N 316.269 3.388 5 1 DGBF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587930603 FGMQIMTWHNQFRB-GTNSWQLSSA-N 324.340 3.320 5 1 DGBF O=[N+]([O-])c1ccc(CSC(=S)C[n+]2ccccc2)cc1 27709908 PZJANFAWOWHSDY-UHFFFAOYSA-N 305.404 3.143 5 1 DGBF O=[N+]([O-])c1ccc(OCc2nc3cccc(F)c3[nH]2)cc1F 587148107 AHJLQOUMIKLHRA-UHFFFAOYSA-N 305.240 3.328 5 1 DGBF N=c1nc2c([N+](=O)[O-])c3ccncc3c(-c3ccccc3)c2c[nH]1 1857560482 UNTSUZOXTIJYBK-UHFFFAOYSA-N 317.308 3.166 5 1 DGBF COc1ccccc1-c1cc(=O)c2c(O)ccc([N+](=O)[O-])c2o1 13879131 IYMLMYHUJIUNLF-UHFFFAOYSA-N 313.265 3.082 5 3 DGBF O=C1NC(=O)c2c1c1c3cc(Cl)ccc3[nH]c1c1cccn21 28870932 JWCZPVKESJKIEF-UHFFFAOYSA-N 309.712 3.111 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc([N+](=O)[O-])c1F)O2 587385500 OOJLGPXUTADILZ-AWEZNQCLSA-N 316.288 3.331 5 1 DGBF CC1(C)C=Cc2c(cc(O)c3c(=O)c4cccc(O)c4[nH]c23)O1 5963545 QMIBOFBCPAGGAC-UHFFFAOYSA-N 309.321 3.277 5 1 DGBF biogenic,in-vitro CC1(C)COc2c(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)cccc21 586911262 GHDMBGLAPIXUOR-UHFFFAOYSA-N 310.313 3.203 5 1 DGBF C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 84723377 KKEGQSSUXOGEAF-IBGZPJMESA-N 312.433 3.052 5 1 DGBF O=[N+]([O-])c1cn2c(n1)O[C@@H](CCOc1ccc(Cl)cc1)CC2 473091437 XWSMYFXOTFWQAM-GFCCVEGCSA-N 323.736 3.065 5 1 DGBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cncc(C)c3[nH]2)c1 587261791 HZVYEIHSPLDTET-UHFFFAOYSA-N 312.329 3.104 5 1 DGBF NCCCCNCC(=O)Nc1c2ccccc2cc2ccccc12 169329647 ZZLCHTLBDMXAQR-UHFFFAOYSA-N 321.424 3.260 5 1 DGBF COc1c2c(cc3oc4oc5ccccc5c4c(=O)c13)OCO2 238752029 NUITWUUGPMYESI-UHFFFAOYSA-N 310.261 3.430 5 1 DGBF Cc1ccc2ccn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2c1 49109911 KLIDEEXYAFQSCP-UHFFFAOYSA-N 316.338 3.095 5 1 DGBF C/C=C1/C[N+]2(C)[C@@H]3C[C@H]1[C@H](CO)[C@H]2Cc1c3[nH]c2ccccc12 238776157 KRTATNOTKFNEFT-OYQBXADOSA-N 309.433 3.169 5 1 DGBF CC1=CC[C@@H]2[C@@H](O[C@H](c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)F)[C@@H]1O 1772636005 AWJLFVIZGBMPCC-ZHCJQAHYSA-N 321.348 3.480 5 1 DGBF COc1cc(C[C@H](C)[N+](C)(C)C)c(OC)cc1Br 28005909 VHNHSLNBQRAAPY-JTQLQIEISA-N 317.247 3.104 5 1 DGBF CC1=CN2C=C(C)N(CC(=O)c3cccc([N+](=O)[O-])c3)[C]2C=C1 2356852389 FNOUJKJJIMIBCS-UHFFFAOYSA-N 310.333 3.219 5 1 DGBF O=C(O)C(=Cc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 2356859694 OSOBTAGEUNLROY-UHFFFAOYSA-N 314.253 3.128 5 1 DGBF COc1c(O)ccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1 45354966 IDSUOWSRHKZENY-UHFFFAOYSA-N 309.277 3.002 5 1 DGBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Cl)cc2[nH]1 587276322 KMLMIIGVOKITCI-QMMMGPOBSA-N 305.725 3.125 5 1 DGBF Nc1ccc(Sc2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 29475442 FPXUFQWHHACKFO-UHFFFAOYSA-N 312.354 3.459 5 1 DGBF O=[N+]([O-])c1ccc(Cc2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])c1 587265892 XZVSPQAEZISZJL-UHFFFAOYSA-N 316.248 3.109 5 1 DGBF O=C(c1cncc(Cl)n1)c1coc2cc([N+](=O)[O-])ccc12 587279791 AUJAJEYMVDNPIQ-UHFFFAOYSA-N 303.661 3.015 5 1 DGBF COc1ccc2c3c1O[C@H](c1ccc(O)cc1)[C@H]3[N+](C)(C)CC2 5518756 LQHAQKPJBTXMIP-ZWKOTPCHSA-O 312.389 3.208 5 1 DGBF CC(C)n1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 95577733 KQJXRZCKLTWSPW-UHFFFAOYSA-N 311.341 3.340 5 1 DGBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cccc(F)c2[nH]1 587159734 VUYFKUIXJSWUJP-UHFFFAOYSA-N 305.240 3.328 5 1 DGBF O=[N+]([O-])c1cncc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586886945 HBHFGTJJDQGHOO-SJKOYZFVSA-N 306.325 3.238 5 1 DGBF CCOc1ccc(NC(=O)Cc2ccccc2)c([N+](=O)[O-])c1 4069963 UESDHVNMRUWDBM-UHFFFAOYSA-N 300.314 3.175 5 3 DGBF Cc1ccc(C)c2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc12 587268327 RMOLABXSSFEJMR-UHFFFAOYSA-N 313.361 3.456 5 1 DGBF COC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 587243418 LAGLYDSVLZLQCX-UHFFFAOYSA-N 312.285 3.316 5 1 DGBF O=[N+]([O-])c1cccc(-c2c(O)nc3cc(Cl)cnc3c2O)c1 29391640 AFHDFFVGTGXNPL-UHFFFAOYSA-N 317.688 3.270 5 1 DGBF Nc1cc(F)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1N 587136516 QEIKEVZUBBEYDH-UHFFFAOYSA-N 321.699 3.095 5 1 DGBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cnc3ccccc3c2[nH]1 587272981 CFOQXBCCEXFABJ-JTQLQIEISA-N 322.328 3.020 5 1 DGBF O=[N+]([O-])c1ccc(OCc2nc3ccc(F)cc3[nH]2)cc1F 587149477 SWBVRSMVCFCMOL-UHFFFAOYSA-N 305.240 3.328 5 1 DGBF O=[N+]([O-])c1ccc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 103199927 BKGZFZNEZNSXNU-UHFFFAOYSA-N 310.269 3.356 5 1 DGBF C/C=C1/C[N+]2(C)[C@H]3C[C@H]1[C@H](CO)[C@@H]2Cc1c3[nH]c2ccccc12 137052096 KRTATNOTKFNEFT-LIXHVBQDSA-N 309.433 3.169 5 1 DGBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(Cl)c2[nH]1 587277663 ZRGUBEGOVQBWAN-MRVPVSSYSA-N 305.725 3.125 5 1 DGBF Cc1cc(-c2cccc([N+](=O)[O-])c2)c(O)c2c1C[C@@H](C)OC2=O 1857597928 WCTDAOLNKBDFPN-SNVBAGLBSA-N 313.309 3.377 5 1 DGBF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc([N+](=O)[O-])cc1 587638164 MTIKDYHTBFTZNM-UHFFFAOYSA-N 324.292 3.314 5 1 DGBF O=[N+]([O-])c1cc(/C=C\c2nc3cnncc3[nH]2)ccc1Cl 587048473 WEHMPKQXDSUFNO-RQOWECAXSA-N 301.693 3.085 5 1 DGBF Cc1cc2[nH]c([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2cc1[N+](=O)[O-] 586883975 FPGAMPZCCJHXLH-WOPDTQHZSA-N 311.341 3.418 5 1 DGBF Cc1ccc(OCCOc2ccccc2Cl)c([N+](=O)[O-])n1 73221398 GGGZPHZNNQPVBI-UHFFFAOYSA-N 308.721 3.409 5 1 DGBF C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3[nH]c2ccccc12 197875356 KRTATNOTKFNEFT-POGVZWABSA-N 309.433 3.169 5 1 DGBF O=[N+]([O-])c1cncc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586886942 HBHFGTJJDQGHOO-SJCJKPOMSA-N 306.325 3.238 5 1 DGBF C[C@@H](Oc1ccc(F)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587168815 NLYLBCWILBRMEK-MRVPVSSYSA-N 302.265 3.145 5 1 DGBF C[C@H](CO)NCc1ccc2oc3ccc(Cl)cc3c(=O)c2c1 95591026 ZNIQTOARIRNGEN-SNVBAGLBSA-N 317.772 3.070 5 1 DGBF Cn1c2cc(O)ccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 39560236 MNJQILBBJKXHLV-UHFFFAOYSA-N 323.348 3.287 5 1 DGBF COc1c(O)ccc2c1ccc1c(C(=O)O)cc3c(c12)OCO3 14589628 LOTHZJVMOTZFRD-UHFFFAOYSA-N 312.277 3.134 5 1 DGBF biogenic C[C@H](c1nc2cc(Cl)cc(F)c2[nH]1)n1cc([N+](=O)[O-])cn1 587275707 FYANDOVSRFQKBS-ZCFIWIBFSA-N 309.688 3.069 5 1 DGBF CC(=O)N[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 72114264 MKKNSQOTZHPNES-INIZCTEOSA-N 312.325 3.045 5 1 DGBF Cc1nn(C)c(C(=O)Sc2cccc(Cl)c2)c1[N+](=O)[O-] 120379 OIFKGPYPZUGORI-UHFFFAOYSA-N 311.750 3.223 5 3 DGBF O=C(O)Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 103264217 ACYMPHZSMJTWEL-UHFFFAOYSA-N 310.309 3.225 5 1 DGBF CC(=O)N[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 72114265 MKKNSQOTZHPNES-MRXNPFEDSA-N 312.325 3.045 5 1 DGBF Nc1ccnc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587048395 VQIXIJHFWCKNHT-DUXPYHPUSA-N 315.720 3.272 5 1 DGBF O=[N+]([O-])c1cncc2nc(/C=C/c3ccc(F)cc3F)[nH]c12 587150177 KYFHHSTZBXRGAY-DUXPYHPUSA-N 302.240 3.315 5 1 DGBF CSc1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587274069 RYYXJEXTZQJHPI-UHFFFAOYSA-N 317.374 3.022 5 1 DGBF Cc1c(Cl)ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 587273591 MGKUTHHJDVEMFH-UHFFFAOYSA-N 319.752 3.262 5 1 DGBF N=C(N)c1ccc2c(c1)[nH]c1c3ccc(C(=N)N)cc3sc21 169322756 DLQUEGYPJBMVNL-UHFFFAOYSA-N 307.382 3.104 5 1 DGBF O=[N+]([O-])c1c2c(cc3c1ccc1ccccc13)C=C[C@H](O)[C@@H]2O 27886542 LREBZIARNANHNE-YJBOKZPZSA-N 307.305 3.322 5 1 DGBF O=[N+]([O-])c1cccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 587088871 TYSCZAIYPPLREU-QMMMGPOBSA-N 308.288 3.221 5 1 DGBF COc1cccc2c1c(OC)c1c3c(cc4c(c32)OCO4)C(=O)N1 14727088 LGDDKZBOKLRXPS-UHFFFAOYSA-N 323.304 3.305 5 1 DGBF biogenic,in-vitro COc1cc(C)c(N)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587250133 UIWKMPVSWDDGIQ-UHFFFAOYSA-N 316.292 3.176 5 1 DGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)NCCc1ccccc1 587646905 MUNHOHCJZGHIQZ-UHFFFAOYSA-N 323.352 3.357 5 1 DGBF Bc1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3 263614814 VQBINKFJNGWISU-UHFFFAOYSA-N 322.180 2.914 5 1 DGBF in-vitro Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(C)ccnc3[nH]2)c1 587263081 KTBMIPQHNNYNAQ-UHFFFAOYSA-N 312.329 3.104 5 1 DGBF CC(=O)N=c1nc2c(c3c4ccccc4oc(O)c1-3)C[C@@H](C)CC2 2356855974 RVCWIMLUGYHUFM-JTQLQIEISA-N 322.364 3.210 5 1 DGBF O=c1[nH]c2cc3c(O)ccnc3c(Cl)c2nc1-c1ccccc1 73222919 VOMHQBOACAJSGP-UHFFFAOYSA-N 323.739 3.497 5 1 DGBF Cc1cc2[nH]c(/C=C3\OC(=O)c4ccccc43)nc2cc1[N+](=O)[O-] 586906819 RLPYRRUHUGQKNN-NVNXTCNLSA-N 321.292 3.448 5 1 DGBF O=c1c2ccccc2oc2ccc(O[C@@H]3CN4CCC3CC4)cc12 38342399 DDTQQCUNTFKPEG-LJQANCHMSA-N 321.376 3.419 5 1 DGBF O=C1C[C@@H](c2cnc3ccc([N+](=O)[O-])cc3c2)[C@@H](c2ccco2)N1 206036050 LWLVXLQXGMVYDM-GUYCJALGSA-N 323.308 3.081 5 3 DGBF COc1cc2c(c3oc4ccccc4c(=O)c13)[C@H]1C=CO[C@H]1O2 14715688 BRGIZYRNCWHMPV-MGNBDDOMSA-N 308.289 3.301 5 1 DGBF biogenic CN(C)CCn1c2cc(=O)c3ccccc3c-2nc2ccccc21 299855585 BMWWJCZPSBLKKN-UHFFFAOYSA-N 317.392 3.216 5 1 DGBF Cc1oc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1[N+](=O)[O-] 587269225 TUHZNJUHAIWLGC-UHFFFAOYSA-N 323.211 3.361 5 1 DGBF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1[N+](=O)[O-])CC2=O 587470519 KRICURXWMBKQOU-DOTOQJQBSA-N 319.357 3.268 5 1 DGBF COc1cc(CCN(C)C)c2ccc3ccnc4c(=O)oc1c2c34 14690790 RHNSLJFEBMPIBF-UHFFFAOYSA-N 322.364 3.045 5 1 DGBF biogenic O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(Cl)ccc1O 95596670 QTYRVIWHEZBYLO-UHFFFAOYSA-N 310.668 3.345 5 1 DGBF CC(=O)c1cc2c(cc1C)[n+](=O)c1cc(Cl)ccc1n2O 377534984 FXGPYTAJUFNXPJ-UHFFFAOYSA-N 303.725 3.111 5 1 DGBF CN(C)CCn1c2ccccc2c2sc3ncccc3c(=O)c21 1857618511 POULYOWRCLSHGI-UHFFFAOYSA-N 323.421 3.326 5 1 DGBF O=[N+]([O-])c1c(Nc2cc(F)cc(Cl)c2)ccc2n[nH]nc12 95597353 ULASJZWNCQDHDI-UHFFFAOYSA-N 307.672 3.402 5 1 DGBF Cc1oc(-c2nc3cnc(Br)cc3[nH]2)cc1[N+](=O)[O-] 587268906 NBTOASQFRMNHOR-UHFFFAOYSA-N 323.106 3.197 5 1 DGBF COc1cc(OC)c2c(C(=O)O)nc3c(OC)cccc3c2c1 1911573077 SXBOAJWKXNELAR-UHFFFAOYSA-N 313.309 3.112 5 1 DGBF CC1(C)C=Cc2c(O)cc3oc4cc(=O)c(O)cc-4cc3c2O1 238758296 YVELDEHBVPFJAD-UHFFFAOYSA-N 310.305 3.493 5 1 DGBF Cc1nn(-c2ccccc2)c2c1c(=O)[nH]c1ccc([N+](=O)[O-])cc12 13588970 QVSMHFXSOSVCTP-UHFFFAOYSA-N 320.308 3.084 5 1 DGBF C[C@@H](CO)[C@@H](C)c1ccc2c(=O)c3c(O)cccc3oc2c1O 2356596304 IMTSYQUHLSDENH-VHSXEESVSA-N 314.337 3.089 5 1 DGBF Cc1cc2[nH]c(C34CCC(CO)(CC3)CC4)nc2cc1[N+](=O)[O-] 586897729 CNKBUCXEFZZOLF-UHFFFAOYSA-N 315.373 3.364 5 1 DGBF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 586886204 DYTVYWYHTBJDBT-IINYFYTJSA-N 312.329 3.012 5 1 DGBF Cc1cc(Cl)cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 587274137 SYAJNQGKYBLWIK-UHFFFAOYSA-N 319.752 3.262 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c([N+](=O)[O-])c1)O2 587382723 UKGVHBHTRDIJBE-HNNXBMFYSA-N 316.288 3.331 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c(CCc3cc4ccccc4o3)nc2c1 586908770 VAPWBTLXNQMZKK-UHFFFAOYSA-N 308.297 3.398 5 1 DGBF O=[N+]([O-])c1ccc2c(c1)c(O)nn2Cc1ccccc1Cl 6513893 BEJVFLFTKMAJCM-UHFFFAOYSA-N 303.705 3.352 5 1 DGBF O=[N+]([O-])c1ccc(-c2cc([C@H]3C[C@H]4CC[C@H]3N4)cnc2F)cc1 103249582 VYBKMQYOOUBJRG-XNRPHZJLSA-N 313.332 3.404 5 1 DGBF in-vitro Cc1c(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cccc1[N+](=O)[O-] 101987971 QWBNFGIYGCHIFV-RGCMKSIDSA-N 302.374 3.458 5 1 DGBF O=c1c2cc3ncn(-c4ccccc4)c3[nH]c-2nc2ccccc12 474605122 FVNRNGNUOONJHR-UHFFFAOYSA-N 312.332 3.367 5 1 DGBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(Cl)c2[nH]1 587267100 FLNUVFVHLYFHDQ-QMMMGPOBSA-N 305.725 3.239 5 1 DGBF O=[N+]([O-])c1cc(C(F)(F)F)cc2nc(C3=NCCO3)sc12 653786090 OQLONTZDGYFMJP-UHFFFAOYSA-N 317.248 3.000 5 1 DGBF O=C(O)C(=O)CC(=O)c1ccc2c(ccc3c(F)cccc32)c1 96937901 LXEIIJISDVAKJV-UHFFFAOYSA-N 310.280 3.359 5 1 DGBF COC(=O)c1cccc2nc3c(Br)cccc3nc12 1772652643 FEQYVTOWYMCLKQ-UHFFFAOYSA-N 317.142 3.332 5 1 DGBF O=[N+]([O-])c1ccc(-c2n[nH]c(-c3cc(Cl)ccc3O)n2)cc1 1857613446 OOBVETXJUXEOEW-UHFFFAOYSA-N 316.704 3.406 5 1 DGBF COc1ccc(N(C(C)=O)c2nc(Cl)ccc2[N+](=O)[O-])cc1 95597460 ZSARKUWETGQDIO-UHFFFAOYSA-N 321.720 3.336 5 1 DGBF COC(=O)c1ccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2c1 587261144 VZVTWBBPTBKQKA-UHFFFAOYSA-N 311.297 3.233 5 1 DGBF O=c1c2ccccc2oc2c(Cn3ccnc3)cc([N+](=O)[O-])cc12 49036785 FTWURRJWFIOKBA-UHFFFAOYSA-N 321.292 3.099 5 1 DGBF in-vivo CC1(C)CCc2cc3c(=O)c4ccc(O)cc4oc3c(O)c2O1 96928327 BEYLUVYOQJUNBE-UHFFFAOYSA-N 312.321 3.461 5 1 DGBF N[C@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1Cl 587059449 QKYVLWFRMHMECX-LLVKDONJSA-N 316.748 3.367 5 1 DGBF COC(=O)c1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C)cn1C 587647927 TXXQIXHWKLJQLD-UHFFFAOYSA-N 313.313 3.177 5 1 DGBF Clc1ccccc1-c1nnc2nnc3c4ccccc4[nH]c3n12 98083609 OTUATAFEHOULAQ-UHFFFAOYSA-N 320.743 3.474 5 1 DGBF CCOC(=O)CON=c1c2ccccc2ccc2ccccc12 1854880 KDHPMNDDZWMTEF-UHFFFAOYSA-N 307.349 3.388 5 1 DGBF Cc1cc2[nH]c([C@@H](N)c3ccc(F)cc3F)nc2cc1[N+](=O)[O-] 587151890 WKWQMTHCHCUTOH-AWEZNQCLSA-N 318.283 3.106 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c([N+](=O)[O-])c1)O2 587382725 UKGVHBHTRDIJBE-OAHLLOKOSA-N 316.288 3.331 5 1 DGBF Cn1cc(-c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)cn1 587645291 OGBQMWDVGHWHFJ-UHFFFAOYSA-N 310.235 3.495 5 1 DGBF O=[N+]([O-])c1ccc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)nc1 963097416 FDHYQOPIIVWMNF-DYVFJYSZSA-N 313.332 3.239 5 1 DGBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc(Cl)c2[nH]1 587270036 HZERLSKHSFXMNG-LBPRGKRZSA-N 316.748 3.367 5 1 DGBF Cc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1F 587267234 HLABTSRTLYHYFD-SECBINFHSA-N 303.297 3.033 5 1 DGBF CC(C)n1cc([N+](=O)[O-])c2cc(-n3cc(C(=O)O)cn3)ccc21 68266917 MTCBNRJYZIKJRL-UHFFFAOYSA-N 314.301 3.014 5 1 DGBF CSCC(C)(C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586968494 FRILGBJNINCMSG-UHFFFAOYSA-N 310.335 3.020 5 1 DGBF C/C=C1/C[N+]2([O-])CC[C@@]34c5ccc(OC)cc5N[C@@H]3C[C@@H]1C[C@H]42 238779819 FTXYPZVPKNAUEB-AIXDOQHASA-N 312.413 3.184 5 1 DGBF COc1ccc2cc3c(=O)nc(-c4ccccc4)nc-3n(C)c2c1 28642511 LOYOVPFKHYCVOI-UHFFFAOYSA-N 317.348 3.109 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc([N+](=O)[O-])c1)O2 587409099 GOTQHWTUOXBDRA-GFCCVEGCSA-N 304.327 3.253 5 1 DGBF Cc1nc(C)c(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)s1 587012728 SRIAAJSNAIYBRX-UHFFFAOYSA-N 306.322 3.274 5 1 DGBF CC[C@@]1(CC[C@@H](C)[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 587388360 AAFCTYSKDDUNPU-BDJLRTHQSA-N 306.362 3.137 5 1 DGBF Cc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1F 587269916 GFDHOXYPTDQIRB-ZDUSSCGKSA-N 314.320 3.161 5 1 DGBF Cn1cc(-c2noc([C@H]3CCC[N+](C)(C)C3)n2)c2ccccc21 12018 JPITXWLUENVBCW-ZDUSSCGKSA-N 311.409 3.182 5 1 DGBF COc1cc2ccnc3ccn4c(=O)c(CC(C)C)nc1c4c23 2356793790 KSKCUJVRWNOWNK-UHFFFAOYSA-N 307.353 3.041 5 1 DGBF COc1ccc(CC[N@@+](C)(CCO)C2CCCCC2)cc1OC 261307469 OOZPTJLAAQWEML-FQEVSTJZSA-N 322.469 3.018 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587152578 QKMJUMPSGMLCRB-NXEZZACHSA-N 316.267 3.415 5 1 DGBF Cc1cn2c(C=O)c(-c3ccc(F)c([N+](=O)[O-])c3)nc2s1 73140410 HCZIOASIWAQCMW-UHFFFAOYSA-N 305.290 3.231 5 1 DGBF COC(=O)c1c(C2CC(F)(F)C2)[nH]c2cc([N+](=O)[O-])ccc12 587646558 UYFNKFCTTITFSO-UHFFFAOYSA-N 310.256 3.375 5 1 DGBF O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)cc(F)c3[nH]2)n1 587274453 WEFZTCLHNPVWLD-UHFFFAOYSA-N 323.715 3.093 5 1 DGBF CCc1ccc(C(=O)CCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 587956505 DVGDXLBYDSWNOQ-UHFFFAOYSA-N 324.340 3.244 5 1 DGBF O=c1c(C2CC2)coc2c1c(O)cc1occ(C3CC3)c(=O)c12 653916422 WVOYBZBRKHCMDF-UHFFFAOYSA-N 310.305 3.360 5 1 DGBF CN(C)CCCn1c2ccc(Cl)cc2c(=O)c2cccnc21 3650576 DZXCWDAAGKRZPA-UHFFFAOYSA-N 315.804 3.155 5 1 DGBF O=[N+]([O-])c1cccc(-c2cc([C@H]3C[C@H]4CC[C@H]3N4)cnc2F)c1 103249584 IMNMXRIDDYENFD-XNRPHZJLSA-N 313.332 3.404 5 1 DGBF in-vitro O=c1c2ccccc2oc2c(Cn3ccnc3)c([N+](=O)[O-])ccc12 49036787 SRBZAHSXFAWSRK-UHFFFAOYSA-N 321.292 3.099 5 1 DGBF in-vivo N[C]1SC2=C(CCCC2)N1CC(=O)c1ccc([N+](=O)[O-])cc1 2356836631 FJRQGZSZIZEPEH-UHFFFAOYSA-N 318.378 3.018 5 1 DGBF O=[N+]([O-])c1cccc2nc([C@@H](O)c3ccccc3Cl)[nH]c12 587058953 JWHFNVQFMGXSDI-ZDUSSCGKSA-N 303.705 3.206 5 1 DGBF Cc1ccnc2c1CCN[C@H]2c1c[nH]c2cc([N+](=O)[O-])ccc12 963070907 HWYJSHIOIOHYIQ-KRWDZBQOSA-N 308.341 3.015 5 1 DGBF Cc1cc2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2cc1[N+](=O)[O-] 586883974 FPGAMPZCCJHXLH-GRYCIOLGSA-N 311.341 3.418 5 1 DGBF COCCOc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 587264582 GLISHEFHBIGCQI-UHFFFAOYSA-N 313.313 3.163 5 1 DGBF O=C1C(=O)N(Cc2cc3ccccc3o2)c2ccc([N+](=O)[O-])cc21 28466802 NCSVSLHTQYQRAR-UHFFFAOYSA-N 322.276 3.071 5 1 DGBF CN1CCC[C@H]1COc1cncc(-c2cccc([N+](=O)[O-])c2)c1 27730502 FLHMTAZNOYJNFG-INIZCTEOSA-N 313.357 3.130 5 1 DGBF O=c1c2ccc(Cl)cc2oc2ccc(CNCCCO)cc12 40876370 PMOQAGYYXHOGHK-UHFFFAOYSA-N 317.772 3.072 5 1 DGBF O=c1c(Cl)c(Cl)cnn1/C=C/c1ccccc1[N+](=O)[O-] 84653237 BPHJJTKVSFBDKL-AATRIKPKSA-N 312.112 3.086 5 1 DGBF Cc1c(Cl)ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 587269665 YGUXSKCZGLOUCR-UHFFFAOYSA-N 317.736 3.440 5 1 DGBF CCCn1c(=O)c(-c2cccc([N+](=O)[O-])c2)nc2ccccc21 1772646279 VQOJQPPPGXGVNE-UHFFFAOYSA-N 309.325 3.382 5 1 DGBF O=[N+]([O-])c1cccc(N2Cc3ccccc3OCC2=S)c1 103204649 GNZUBKHRTRLBBF-UHFFFAOYSA-N 300.339 3.321 5 1 DGBF CCC[C@@]1(C)C=C(C(=S)NC)c2cc([N+](=O)[O-])ccc2O1 26576736 ULAKLWQAYCDHEM-HNNXBMFYSA-N 306.387 3.476 5 1 DGBF C/C=C1/C[N@+](C)([O-])C[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 257479861 MADJEOFPDOQBHE-YKHWHEBXSA-N 310.397 3.434 5 1 DGBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Cl)cc2[nH]1 587271041 XWSGQDULDJSYQC-LBPRGKRZSA-N 316.748 3.367 5 1 DGBF O=C(c1ccccc1)c1cc(Cn2ccnc2)ccc1[N+](=O)[O-] 28709480 KJIBLTUYHOSAHE-UHFFFAOYSA-N 307.309 3.071 5 1 DGBF O=[N+]([O-])c1ccc(OCc2nc3cc(F)cc(F)c3[nH]2)cc1F 587149342 QYBVFYDJTFAYNM-UHFFFAOYSA-N 323.230 3.467 5 1 DGBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cnccc2[nH]1 587109408 JCJWXMRSYVWIEV-UHFFFAOYSA-N 322.246 3.476 5 1 DGBF O=[N+]([O-])c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 587088181 JYMINMALDOYVKV-QMMMGPOBSA-N 308.288 3.221 5 1 DGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N1CCCCCC1 587648225 ACZKDYQOIADBEA-UHFFFAOYSA-N 301.346 3.401 5 1 DGBF O=[N+]([O-])c1cnc(/C=C/c2ccc3ccccc3c2)n1CCO 103255998 WVEXGDNFHFPFTO-SOFGYWHQSA-N 309.325 3.107 5 1 DGBF CN(C)[C@H](c1ccc(F)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587164608 XPSUVDGZUOBNJX-OAHLLOKOSA-N 314.320 3.261 5 1 DGBF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 586886205 DYTVYWYHTBJDBT-QMTHXVAHSA-N 312.329 3.012 5 1 DGBF O=[N+]([O-])c1cccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587015783 BBPBNUBPOVMGNO-NSHDSACASA-N 316.342 3.446 5 1 DGBF COC(=O)c1cccc2nc3c(/C=C/C(C)(C)O)cccc3nc12 1772627011 YTNILNMDMRXWCE-ZHACJKMWSA-N 322.364 3.354 5 1 DGBF COc1ccc(CC[N@+](C)(CCO)C2CCCCC2)cc1OC 261307470 OOZPTJLAAQWEML-HXUWFJFHSA-N 322.469 3.018 5 1 DGBF Cc1nc2cccc([N+](=O)[O-])c2c(NCCCN(C)C)c1C 1630230 ZQYXRTWGRYOUBC-UHFFFAOYSA-N 302.378 3.123 5 1 DGBF O=C(O)/C=C/C=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1 587968693 OAAZGUXBWSEXQF-KYPMKJFLSA-N 316.320 3.313 5 1 DGBF COc1cccc([C@H](C)Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587933046 YHKSZXKRNXRKIQ-SNVBAGLBSA-N 312.329 3.221 5 1 DGBF O=C(O)CCNC[C@H](O)c1cc2ccccc2c2ccccc12 169338079 PRULHGWLHMKJHF-SFHVURJKSA-N 309.365 3.091 5 1 DGBF Cc1c(F)ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587267540 MNFROLZARUIYQJ-SECBINFHSA-N 303.297 3.033 5 1 DGBF COc1cc2c3c(c(C)c4ccccc4c3c1OC)NC(=O)C2=O 15263932 XURJNCATKSWBQE-UHFFFAOYSA-N 321.332 3.453 5 1 DGBF biogenic,in-vitro COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(OC)c1OC 1004700 ZQFYQUUNYMMURP-AATRIKPKSA-N 320.301 3.087 5 3 DGBF Cc1ccc(OCCOc2ccc(Cl)cc2)c([N+](=O)[O-])n1 73221401 CSNFVUORZKSLBB-UHFFFAOYSA-N 308.721 3.409 5 1 DGBF Cc1oc(-c2nc3ncc(Br)cc3[nH]2)cc1[N+](=O)[O-] 587269102 PSONTWLEOFECSQ-UHFFFAOYSA-N 323.106 3.197 5 1 DGBF Cc1cc2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c(C)n1 587148196 FBVLYDOWIUBBMB-UHFFFAOYSA-N 316.292 3.201 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c(CCCCc3cccc(O)c3)nc2c1 586896046 HNGYWHNKFAVHMA-UHFFFAOYSA-N 312.329 3.137 5 1 DGBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587434717 ZLOXHXJRESFRBT-SUMWQHHRSA-N 311.293 3.092 5 1 DGBF COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(Cl)n1 587083571 AWDYNLAZLMUPFL-UHFFFAOYSA-N 304.693 3.195 5 1 DGBF COc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1F 587270898 WHMVIUMZCMZVMK-UHFFFAOYSA-N 315.304 3.404 5 1 DGBF O=C(O)/C=C/c1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 586878924 IKSMGPWBJZWCQO-VMPITWQZSA-N 309.281 3.236 5 1 DGBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1CC(F)(F)F 587646665 ZUQODKJSHIYNRJ-UHFFFAOYSA-N 316.235 3.358 5 1 DGBF O=[N+]([O-])c1ccc(-c2cc([C@@H]3C[C@H]4CC[C@H]3N4)cnc2F)cc1 137145242 VYBKMQYOOUBJRG-IVMMDQJWSA-N 313.332 3.404 5 1 DGBF in-vitro O=C(O)c1ccc2oc3ccc(C(=O)C4CC4)cc3c(=O)c2c1 169322618 STCKDMHUIVAWKU-UHFFFAOYSA-N 308.289 3.237 5 1 DGBF Cc1cc(=O)oc2cc(OCC[N@+]3(C)CCCC[C@@H]3C)ccc12 299818156 OGOIRXVFBVWSNB-YWZLYKJASA-N 316.421 3.499 5 1 DGBF Cc1ccc(OCCOc2ccc(F)cc2F)c([N+](=O)[O-])n1 73220083 POEQMHCHXYKNGO-UHFFFAOYSA-N 310.256 3.034 5 1 DGBF O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1F 299863465 PALFBVNUCFYROU-UHFFFAOYSA-N 313.288 3.305 5 1 DGBF Cc1cc(=O)oc2cc(OCC[N@@+]3(C)CCCC[C@@H]3C)ccc12 299818153 OGOIRXVFBVWSNB-MGPUTAFESA-N 316.421 3.499 5 1 DGBF O=[N+]([O-])c1ccc(OCc2nc3cc(F)c(F)cc3[nH]2)cc1F 587148227 FPGXPKRCRZUBKF-UHFFFAOYSA-N 323.230 3.467 5 1 DGBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Cl)ncc2[nH]1 587159573 SFIFRUPWMJCDRB-UHFFFAOYSA-N 322.683 3.238 5 1 DGBF Cc1cccc2cc3c(=O)nc(-c4ccccc4)nc-3n(C)c12 28642377 YMVXARFQKDILIJ-UHFFFAOYSA-N 301.349 3.409 5 1 DGBF Nc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c2ccccc2c1 587252242 UJSBWFFDCIXXRN-UHFFFAOYSA-N 305.297 3.269 5 1 DGBF Cc1cc(F)c2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 587268016 VTCVIOQPCKEMDO-VIFPVBQESA-N 303.297 3.033 5 1 DGBF C/C=C1\C[N+]2(C)CCc3c4n(c5ccccc35)[C@@H](CO)[C@H]1C[C@@H]42 70454029 HFLUPWJGJPYITM-WGKYVZDASA-N 309.433 3.198 5 1 DGBF biogenic,in-vitro O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3n3cnnc23)c1 40915492 SOCVISUZGMFOMZ-CMDGGOBGSA-N 317.308 3.356 5 1 DGBF CCOC(=O)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645212 LEOJLOFFBKCXFM-UHFFFAOYSA-N 302.208 3.272 5 1 DGBF O[C@H]1c2ccc3c4c5c(cccc5cc3c2[C@@H]2O[C@H]2[C@@H]1O)C=C4 101356567 OZOQTNHPJBUEGC-YRPNKDGESA-N 302.329 3.325 5 1 DGBF O=[N+]([O-])c1ccc(-c2cc([C@@H]3C[C@@H]4CC[C@@H]3N4)cnc2F)cc1 100009837 VYBKMQYOOUBJRG-NOLJZWGESA-N 313.332 3.404 5 1 DGBF O[C@@H]1c2cc3ccc4cccc5ccc(c2[C@H]2O[C@@H]2[C@@H]1O)c3c45 2001185 DQEPMTIXHXSFOR-UAFMIMERSA-N 302.329 3.432 5 1 DGBF in-vitro Cc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1Cl 587267609 BNWJOWWNZSAEKI-UHFFFAOYSA-N 303.709 3.077 5 1 DGBF Cc1nc2c(C)ccc([N+](=O)[O-])c2c(NCCCN(C)C)c1C 1630229 VRALCVSJHCDKKT-UHFFFAOYSA-N 316.405 3.432 5 1 DGBF O=[N+]([O-])c1c2ccccc2cc2c3c(ccc12)[C@H](O)[C@H](O)C=C3 27890579 HXVOYNIFZXGULL-AEFFLSMTSA-N 307.305 3.322 5 1 DGBF CNc1c2c(c3nc4ccccc4c4c3c1N=C4)NCCC2=O 6378962 QENMGCRDNVDPEH-UHFFFAOYSA-N 302.337 3.492 5 1 DGBF biogenic O=[N+]([O-])c1ccc(Cc2noc(NC3CCCCC3)n2)cc1 66259756 SZPNFLXMUVATRN-UHFFFAOYSA-N 302.334 3.313 5 1 DGBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1F 586903487 PQBSNWHFEKFRNP-BMIGLBTASA-N 313.288 3.179 5 1 DGBF C[C@H]1CC[C@@H](C)N(c2cc(=O)n3ccc4ccccc4c3n2)C1 13608170 XYIMDEUMYCPVNQ-UONOGXRCSA-N 307.397 3.473 5 1 DGBF O=[N+]([O-])c1cc(-n2c(O)c3c(c2O)[C@H]2CC[C@H]3O2)ccc1Cl 169727191 NZAOQVPAHOIJPZ-NXEZZACHSA-N 322.704 3.356 5 1 DGBF C[C@H](c1nc2cc3ccccc3cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276874 OKYJLPRFOXUZHQ-SNVBAGLBSA-N 307.313 3.430 5 1 DGBF O=C1[C@@H]2CCCN2[C@@H](c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 1772622144 NLDCUQYTVGKISH-DLBZAZTESA-N 323.352 3.105 5 1 DGBF O=c1ccc2c3ccc(O)c4c(=O)ccc(c5ccc(O)c1c52)c43 13650839 MLYRZJKYWQZCGH-UHFFFAOYSA-N 314.296 3.307 5 1 DGBF Nc1cncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587253510 AYWOSYNYCSKYJL-UHFFFAOYSA-N 312.336 3.304 5 1 DGBF Cc1nn(-c2ccccc2[N+](=O)[O-])c2c1c(=O)oc1ccccc12 26750219 FRIBSWRQXWGFLJ-UHFFFAOYSA-N 321.292 3.349 5 1 DGBF Cc1ccc([C@H]2CC(=O)C[C@@H](c3ccccn3)[C@@H]2[N+](=O)[O-])cc1 45228603 SJKMEGHCFBDJPW-SOLBZPMBSA-N 310.353 3.266 5 1 DGBF COc1cc2c3c(c1)O[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587432772 LQUNLZQBVQIVHA-GUYCJALGSA-N 311.293 3.092 5 1 DGBF CCCCCn1c(=O)c2ccccc2c2c(C(N)=O)cccc21 1772630080 CXFXMMJVHHLANR-UHFFFAOYSA-N 308.381 3.444 5 1 DGBF CC(C)Cc1ccc([C@@H](C)C(=O)NCCC[N+](C)(C)C)cc1 13646141 CTNJKUQEEPJEIS-MRXNPFEDSA-O 305.486 3.201 5 1 DGBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cccc(O)c3[nH]2)c1 587268754 DAVFNZVKRFKGIG-UHFFFAOYSA-N 324.340 3.444 5 1 DGBF C=CC(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 587245032 VORLJHBKGOIPDC-UHFFFAOYSA-N 308.297 3.263 5 1 DGBF O=[N+]([O-])c1ccc2nc(COCc3nc4ccccc4[nH]3)[nH]c2c1 59111389 DXRYLXGMTVCDJM-UHFFFAOYSA-N 323.312 3.064 5 3 DGBF C[n+]1c2ccccc2c(NCCCO)c2oc3ccccc3c21 40411650 ODBGEFMRXHUZGK-UHFFFAOYSA-O 307.373 3.358 5 1 DGBF COc1cc([C@@H]2CC(=O)c3ccccc3O2)cc([N+](=O)[O-])c1O 98083680 WVUFJLLZSIIGLA-AWEZNQCLSA-N 315.281 3.016 5 1 DGBF Nc1ccc(F)c(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587140524 BVCPAZUIPJOHAC-UHFFFAOYSA-N 320.711 3.437 5 1 DGBF C[N+]12CCC(CC1)[C@@H](Cc1nc(-c3cccc(Cl)c3)no1)C2 1857607746 OHJVDOLGOVQBRG-BJJGWYPJSA-N 318.828 3.419 5 1 DGBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cccnc3[nH]2)c1 587270449 YGQDWPFKWONHDI-UHFFFAOYSA-N 309.329 3.133 5 1 DGBF O=[N+]([O-])c1ccc(OCCNCCCOc2ccccc2)cc1 13766782 OVTLMIGCVPXGIF-UHFFFAOYSA-N 316.357 3.032 5 1 DGBF O=c1[nH]ccc2nc(NC3CC(F)(F)C3)c3ccc(F)cc3c12 64549714 ASPDEPIEGDDDCD-UHFFFAOYSA-N 319.286 3.425 5 1 DGBF O=[N+]([O-])c1cnc2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587951542 NYAWBPBSYQNJQB-UHFFFAOYSA-N 310.313 3.464 5 1 DGBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@]1(CC(OCc3ccccc3)=NO1)C2 103043566 NIEZZJBEHBFANS-ALXJQNPVSA-N 301.410 3.077 5 1 DGBF CCc1cc2c3[nH]c4ccc([N+](=O)[O-])cc4c3cc[n+]2nc1CC 26577991 YBRWWXKYKZRARB-UHFFFAOYSA-O 321.360 3.488 5 1 DGBF CN1C(=O)c2c(n3cccc3c3[nH]c4ccc(Cl)cc4c23)C1=O 28870934 NNZSFCWHRNYBBL-UHFFFAOYSA-N 323.739 3.453 5 1 DGBF COc1cc(-c2nc3ccc(F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260820 HCEOVEVEFNGAGP-UHFFFAOYSA-N 317.276 3.294 5 1 DGBF C[C@H]1Oc2c(cc(O)c3oc4c(O)cccc4c(=O)c23)C1(C)C 15148355 WJPITGSTUAHZBK-MRVPVSSYSA-N 312.321 3.416 5 1 DGBF endogenous,in-man Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(Cl)cc2[nH]1 587267232 HJYLVWFLMFULQQ-MRVPVSSYSA-N 305.725 3.239 5 1 DGBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587083950 DVSURPNDVFHRIC-UHFFFAOYSA-N 310.100 3.235 5 1 DGBF Nc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)c1 103242899 YOOFANBWLFVWAC-UHFFFAOYSA-N 312.285 3.100 5 1 DGBF COc1cc2ccc3cc(OC)c(O)c(OC)c3c2cc1O 14650730 AUBKSTFKLTVQCK-UHFFFAOYSA-N 300.310 3.430 5 1 DGBF biogenic Cc1cc(F)c2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 587268015 VTCVIOQPCKEMDO-SECBINFHSA-N 303.297 3.033 5 1 DGBF COc1cc2cc(O)c3cc(O)ccc3c2c(OC)c1OC 196458874 RAOVRJTUJVMJOT-UHFFFAOYSA-N 300.310 3.430 5 1 DGBF Cc1cc2[nH]c(-c3cc(F)cc(F)c3O)nc2cc1[N+](=O)[O-] 587133819 BQEQKIRWCKLVDN-UHFFFAOYSA-N 305.240 3.430 5 1 DGBF Cc1ccc([C@@H]2CC(=O)C[C@@H](c3ccccn3)[C@H]2[N+](=O)[O-])cc1 138598980 SJKMEGHCFBDJPW-BQFCYCMXSA-N 310.353 3.266 5 1 DGBF CN(C)CCCCNC(=O)c1cccc2c1ncc1ccccc12 27874006 CEQXMMIUJYBEFF-UHFFFAOYSA-N 321.424 3.460 5 1 DGBF Cn1c2cc(=O)ccc2c2c3nc4ccccc4[nH]c3cc(O)c21 138113122 ZWIWQBZCWUMNMU-UHFFFAOYSA-N 315.332 3.427 5 1 DGBF in-vivo O=C1O/C(=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc21 586905859 FFVKITLCZKEBDX-MDWZMJQESA-N 307.265 3.140 5 1 DGBF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C[N+](=O)[O-])C1)CC2=O 587473593 YEPPEIWWOZKOIX-DIFFPNOSSA-N 319.357 3.126 5 1 DGBF CCN(CC)CCn1c(C)nc2cc3ccccc3cc2c1=O 2458549 MLDFFJIQOLAUSB-UHFFFAOYSA-N 309.413 3.200 5 1 DGBF O=[N+]([O-])c1ccc2ncc(Nc3ccc4c(c3)OCCO4)nc2c1 72107961 QKNVPHBAVNNGND-UHFFFAOYSA-N 324.296 3.053 5 1 DGBF COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3[N+](C)([O-])CC2 95593990 SAWSWZQULQPSLR-IWPPFLRJSA-N 311.381 3.469 5 1 DGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CNC(=O)OC(C)(C)C 587647469 YSFAMBSUPIFIEP-UHFFFAOYSA-N 305.334 3.409 5 1 DGBF COc1ccc(-c2nccn2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 43079766 TVPUUDRVHIKTCI-UHFFFAOYSA-N 323.308 3.155 5 1 DGBF CC1(C)CCc2c(cc3oc4ccc(O)cc4c(=O)c3c2O)O1 1857548637 IYJGWMMDJJAFEC-UHFFFAOYSA-N 312.321 3.461 5 1 DGBF CCO[P@](=O)(NC(C)C)Oc1ccc([N+](=O)[O-])c(C)c1 72123448 HCRLHOJYYPWXLN-HXUWFJFHSA-N 302.267 3.425 5 1 DGBF O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(O)cc2O)s1 95589354 YNBINMFGXHGNKW-UHFFFAOYSA-N 315.310 3.192 5 1 DGBF COC(=O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160565 WMBRMPRTQKRTBM-UHFFFAOYSA-N 315.260 3.064 5 1 DGBF Cn1cc(C2=NCC3(C[C@@H]4CC[C@H](C3)[N+]4(C)C)O2)c2ccccc21 13451638 ONBNRZJYWVTNHK-DBIVSCPCSA-N 324.448 3.095 5 1 DGBF C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 103292246 CMLXOAFFSZJTEI-QUCCMNQESA-N 312.433 3.266 5 1 DGBF O=C(CCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(F)cc1 587163826 USTKLVZXOMZAMS-UHFFFAOYSA-N 313.288 3.426 5 1 DGBF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 586886206 DYTVYWYHTBJDBT-YGRLFVJLSA-N 312.329 3.012 5 1 DGBF O=c1c(Cl)c(Cl)cnn1/C=C/c1ccc([N+](=O)[O-])cc1 84653239 DPHMFVFSTGPGGA-AATRIKPKSA-N 312.112 3.086 5 1 DGBF COC(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 587243939 UQNUADZIQZIXRK-UHFFFAOYSA-N 312.285 3.316 5 1 DGBF Cc1c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cccc1[N+](=O)[O-] 587261127 VLINQSXJFGHOMI-CQSZACIVSA-N 311.301 3.170 5 1 DGBF CC1(C)COc2c(-c3nc4cncc([N+](=O)[O-])c4[nH]3)cccc21 586912837 WUEKLPIQLJDJOS-UHFFFAOYSA-N 310.313 3.203 5 1 DGBF COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc1 48298313 CLWBRXDTRUHAAF-UHFFFAOYSA-N 311.297 3.337 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c(CNc3ccccc3Cl)nc2c1 587061973 MHKUGOXJKSEGIY-UHFFFAOYSA-N 303.709 3.132 5 1 DGBF CC1(C)C=C([C@@H]2CCC[S@@]2=O)c2cc([N+](=O)[O-])ccc2O1 27645032 HVCJOHXWKWELRR-LHSJRXKWSA-N 307.371 3.060 5 1 DGBF Cc1ccc(CNC(=S)c2cc([N+](=O)[O-])ccc2O)cc1 58506335 QVBOLIMKPDLBDG-UHFFFAOYSA-N 302.355 3.074 5 1 DGBF Cc1ccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)cc1 98081964 XEYVKEKDENXHPD-UHFFFAOYSA-N 300.325 3.129 5 1 DGBF Cc1nn(Cc2cc3c4c(cccc4n2)CC3)c(C)c1[N+](=O)[O-] 587210761 HHCMEINNHOBNCA-UHFFFAOYSA-N 308.341 3.103 5 1 DGBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587275177 XZPJNENGAOBIOC-UHFFFAOYSA-N 312.116 3.178 5 1 DGBF CC[N@@+]1(C)CC[C@@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 253795027 YOHJVOJFKXCILN-NNWRFLSQSA-N 324.444 3.244 5 1 DGBF O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2cccc(O)c2n1 474609690 SNWRDRMENVWGAK-UHFFFAOYSA-N 309.281 3.101 5 1 DGBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(F)c(F)cc2[nH]1 587268366 TWFOGKFTPLNEGF-UHFFFAOYSA-N 321.287 3.118 5 1 DGBF COc1cc2c3c(c1)O[C@H](c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587432774 LQUNLZQBVQIVHA-SUMWQHHRSA-N 311.293 3.092 5 1 DGBF COc1c(F)ccc(F)c1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587132895 KTABXNXNJYGUCG-UHFFFAOYSA-N 305.240 3.425 5 1 DGBF Cc1ccc2c(ccc3nc([C@@H](C)n4cc([N+](=O)[O-])cn4)[nH]c32)n1 587277673 ZTRIUIRNEZNZCR-SNVBAGLBSA-N 322.328 3.134 5 1 DGBF COc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(Cl)n1 587084008 QZNJXDDVENPIKH-UHFFFAOYSA-N 304.693 3.195 5 1 DGBF Cc1ccc(C2=NCCn3nc4cc([N+](=O)[O-])ccc4c32)cc1 36383490 DGDVKZBYEIGJNP-UHFFFAOYSA-N 306.325 3.104 5 3 DGBF O=[N+]([O-])c1cnc2[nH]c(COC/C=C\c3ccccc3)nc2c1 587780898 LIMWLTRLNYLIQK-DAXSKMNVSA-N 310.313 3.096 5 1 DGBF CC[C@@H]1OCCC[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586912399 OLSDZYMTMNPMEI-OQPBUACISA-N 320.305 3.052 5 1 DGBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(O)cc3[nH]2)c1 587269907 TZXBWMQHGGIJGT-UHFFFAOYSA-N 324.340 3.444 5 1 DGBF COc1cc2c3c(c1)O[C@H](c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587434269 SGMVIOZWEPNLDL-YVEFUNNKSA-N 311.293 3.092 5 1 DGBF O=[N+]([O-])c1c2ccccc2cc2c3c(ccc12)[C@H](O)[C@@H](O)C=C3 6118091 HXVOYNIFZXGULL-WMZOPIPTSA-N 307.305 3.322 5 1 DGBF Cn1c2cc3c(c(O)c2c(=O)c2cccc(O)c21)C=CC(C)(C)O3 85953803 NNIKUZXYORWVJA-UHFFFAOYSA-N 323.348 3.287 5 1 DGBF Cc1cc2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc2cc1[N+](=O)[O-] 586905219 ZPUWCEKUDQWTKB-LRDDRELGSA-N 309.325 3.349 5 1 DGBF O=[N+]([O-])c1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1F 586898764 NVMDFUDSSGQOKP-UHFFFAOYSA-N 313.288 3.396 5 1 DGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1OC(=O)c1ccccc1N 587647687 MMASHPQSJNMPTQ-UHFFFAOYSA-N 311.297 3.186 5 1 DGBF O=[N+]([O-])c1ccc2nc(-c3cc4ccccc4nc3O)[nH]c2c1 1857654361 KQONSQGSHCEZDQ-UHFFFAOYSA-N 306.281 3.392 5 1 DGBF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587149389 GRXPOLJAPWQKCK-ZETCQYMHSA-N 320.255 3.284 5 1 DGBF O=[N+]([O-])c1cc(/C=C\c2nc3ccnc(O)c3[nH]2)ccc1Cl 587048794 YMILHAKHBITAQV-RQOWECAXSA-N 316.704 3.396 5 1 DGBF O=C(NCc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1 1857614755 SUOHPOXJQDIFLX-UHFFFAOYSA-N 312.738 3.026 5 1 DGBF O=[N+]([O-])c1cncc2nc([C@@H]3SCCc4sccc43)[nH]c12 587036709 KHFMROWSTANWLU-GFCCVEGCSA-N 318.383 3.306 5 1 DGBF O=C(O)c1cc(F)cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 587160267 OLNLVIJVSKFVJF-UHFFFAOYSA-N 319.223 3.115 5 1 DGBF Cc1ccnc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c1 587647276 UHTHXASSXXEUOS-UHFFFAOYSA-N 310.313 3.340 5 1 DGBF COc1cc(OC[C@H]2CS2)c2c(=O)c3ccccc3oc2c1 1857633222 LKVPLEURISDTRP-NSHDSACASA-N 314.362 3.449 5 1 DGBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc3ncccc3c2[nH]1 587267423 KINDXIKMLYMCLW-JTQLQIEISA-N 322.328 3.134 5 1 DGBF CC[N+]1(C)CC[C@@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 31840910 YOHJVOJFKXCILN-ZJBPFHOOSA-N 324.444 3.244 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc([N+](=O)[O-])c1)O2 587385543 OTTFKVJKZLQRNL-OAHLLOKOSA-N 316.288 3.331 5 1 DGBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(CO)cc3)nc2cc1Cl 586895708 VFLOOXQOINFLHV-UHFFFAOYSA-N 303.705 3.284 5 1 DGBF Cc1oc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1[N+](=O)[O-] 587268585 FVKJHRGEJPCFRD-UHFFFAOYSA-N 306.209 3.087 5 1 DGBF O=[N+]([O-])c1cccnc1NCc1nc2cnc3ccccc3c2[nH]1 587268503 AUXBXTYTVJRCEB-UHFFFAOYSA-N 320.312 3.026 5 1 DGBF COc1ccc(C[N+]2(C)CCc3cc4c(cc3C2)OCO4)cc1 14829028 LTBVHEXEWCUCIZ-UHFFFAOYSA-N 312.389 3.127 5 1 DGBF O=[N+]([O-])c1cccc(-c2cc([C@H]3C[C@@H]4CC[C@@H]3N4)cnc2F)c1 100010404 IMNMXRIDDYENFD-BJJXKVORSA-N 313.332 3.404 5 1 DGBF COc1ccc2c(c1)oc1c3ccc(O)c(OC)c3oc(=O)c21 14778672 PUKVXZLVYIPNKV-UHFFFAOYSA-N 312.277 3.415 5 1 DGBF biogenic O=C(Nc1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1O 45350921 BTDULWMVDJUWBE-UHFFFAOYSA-N 309.228 3.223 5 1 DGBF C/C=C1/C[N+](C)([O-])C[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 14589919 MADJEOFPDOQBHE-GOSBWFGGSA-N 310.397 3.434 5 1 DGBF Cc1cc(O)cc2oc3cc4cc(O)cc(O)c4c(O)c3c(=O)c12 2356379279 NHQTZEGDZSRZIW-UHFFFAOYSA-N 324.288 3.230 5 1 DGBF NC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc2ccccc12 36387459 ZPQQDOFEBJLAMW-UHFFFAOYSA-N 321.336 3.459 5 3 DGBF Cc1c2ccccc2nc2c1c1cc(NC(=O)CN)ccc1n2C 95560062 HHASGTJDHQEUJJ-UHFFFAOYSA-N 318.380 3.085 5 1 DGBF CC(=O)N1C[C@H]2c3cc([N+](=O)[O-])ccc3C[C@@H]1c1ccccc12 13831959 DMHBKQVRBUHDAI-QZTJIDSGSA-N 308.337 3.186 5 1 DGBF O=C(OCCO)c1c2ccccc2nc2c1[nH]c1ccccc12 34531551 XWXUCPFWAZSYDG-UHFFFAOYSA-N 306.321 3.018 5 1 DGBF Cc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Cl 587277471 WOYNPKDECDFAFY-VIFPVBQESA-N 319.752 3.433 5 1 DGBF CC(=O)NC1(c2nc3cccc([N+](=O)[O-])c3[nH]2)CCC(C)CC1 587233726 BGBCXNJFTJVAFA-UHFFFAOYSA-N 316.361 3.013 5 1 DGBF COc1c(F)cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1F 587133885 GPYAIBWFUWBPEU-UHFFFAOYSA-N 305.240 3.425 5 1 DGBF Nc1nc2oc3ccc(/C=C/C4CC4)cc3c(=O)c2cc1C(=O)O 1857652710 FJTZYRWIDJILFS-ONEGZZNKSA-N 322.320 3.045 5 1 DGBF CCOC(=O)C(C)(C)Oc1ccc(/C=C/[N+](=O)[O-])c(Cl)c1 1857533784 URISQWAUGDEXOC-BQYQJAHWSA-N 313.737 3.308 5 1 DGBF CC1=CN2C=C(C)N(CC(=O)c3ccc([N+](=O)[O-])cc3)[C]2C=C1 2356839922 VTPHHCATNBMKLM-UHFFFAOYSA-N 310.333 3.219 5 1 DGBF O=[N+]([O-])c1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1F 586903488 PQBSNWHFEKFRNP-BONVTDFDSA-N 313.288 3.179 5 1 DGBF COc1cc(Cl)ccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 400370963 SEIQCOGNDBBCBR-UHFFFAOYSA-N 304.693 3.195 5 1 DGBF CC1(C)C=C([C@H]2CCC[S@@]2=O)c2cc([N+](=O)[O-])ccc2O1 27645037 HVCJOHXWKWELRR-SPLOXXLWSA-N 307.371 3.060 5 1 DGBF O=[N+]([O-])c1cccc(CCc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587270343 MKXGUNWXWCSUQP-UHFFFAOYSA-N 312.285 3.165 5 1 DGBF O=C(O)c1ccc(NCCCc2ccccc2[N+](=O)[O-])cc1 28772186 AUIZKUNWIXXITF-UHFFFAOYSA-N 300.314 3.338 5 1 DGBF Cc1ccc(OCc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)cc1 653811074 ABHUJFAAKDFMHD-UHFFFAOYSA-N 324.340 3.122 5 1 DGBF O=[N+]([O-])c1cc(F)cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587160245 NWHVSYVZOPNVBU-UHFFFAOYSA-N 302.221 3.185 5 1 DGBF Cc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1561690 PENUYFIKYBEYBN-UHFFFAOYSA-N 302.242 3.031 5 1 DGBF C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@@H](C(=O)O)[C@@H]2Cc1c3[nH]c2ccccc12 38317217 JCECAVUEIWGKAR-GPVJNJQOSA-O 323.416 3.261 5 1 DGBF CC(=O)NCCn1nc2c3ccccc3sc3c(N)ccc1c32 29326431 IYMGGJILAZRPHC-UHFFFAOYSA-N 324.409 3.123 5 1 DGBF CC[N+](C)(CC)CCS[C@H](N=O)C(=O)c1ccc(F)cc1 169713383 IBMMPKUESWASEG-HNNXBMFYSA-N 313.418 3.321 5 1 DGBF O=C(O)C[C@@H](O)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 586893196 WOTLHVGXRIBPSK-NSHDSACASA-N 320.348 3.247 5 1 DGBF Cc1ccc([C@H](C)[C@@H](O)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 586889761 MVAOCGVAWNSJHE-ZUZCIYMTSA-N 312.329 3.012 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586891052 RXJDLLRDUKYTJZ-GUYCJALGSA-N 306.325 3.238 5 1 DGBF COc1cc([CH-]N=O)ccc1OCc1ccc([N+](=O)[O-])cc1 169688470 CHSUTTNHPMSNBD-UHFFFAOYSA-N 301.278 3.459 5 1 DGBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc3ncccc3c2[nH]1 587273644 JRXJUWRXAHNAIP-JTQLQIEISA-N 322.328 3.020 5 1 DGBF O=[N+]([O-])c1csc2c(O)nc(/C=C/c3ccc(O)cc3)nc12 1857546385 UIVQIOKCZQXXLL-ZZXKWVIFSA-N 315.310 3.181 5 1 DGBF COc1nn2cc(-c3cc4cc([N+](=O)[O-])ccc4o3)nc2s1 653671296 WGGZKJFFZJGBRM-UHFFFAOYSA-N 316.298 3.121 5 1 DGBF Cc1cccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)n1 587646707 IAFJQMFLLXYYOA-UHFFFAOYSA-N 310.313 3.340 5 1 DGBF Cc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1C 587270553 NCZAJNMAXWFVQW-AWEZNQCLSA-N 310.357 3.330 5 1 DGBF CSc1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 27633419 JDTUZRCXZMPYGF-UHFFFAOYSA-N 314.322 3.117 5 1 DGBF O=[N+]([O-])c1ccc2nonc2c1Sc1nc2ccccc2[nH]1 299867698 YKPZNNMMQFVGPU-UHFFFAOYSA-N 313.298 3.159 5 1 DGBF COc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(OC)c1C 587788325 XSZFILVQIXVTNZ-UHFFFAOYSA-N 313.313 3.464 5 1 DGBF O=[N+]([O-])c1cc2nc(-c3ccc(F)c(F)c3)[nH]c2cc1[N+](=O)[O-] 587145692 OGXDVIXSUQRQKJ-UHFFFAOYSA-N 320.211 3.325 5 1 DGBF O=[N+]([O-])c1cc(-n2c(O)c3c(c2O)[C@H]2CC[C@@H]3O2)ccc1Cl 169727190 NZAOQVPAHOIJPZ-AOOOYVTPSA-N 322.704 3.356 5 1 DGBF O=[N+]([O-])c1ccc(OCc2nc3ccnc(Cl)c3[nH]2)cc1F 587148987 FQZSMZBFWPXPGR-UHFFFAOYSA-N 322.683 3.238 5 1 DGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)NCc1ccccc1 587646448 ANMGAIDCMPBGPK-UHFFFAOYSA-N 309.325 3.315 5 1 DGBF Cc1cc2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2cc1[N+](=O)[O-] 587268822 LILSYAAVLVEFAO-UHFFFAOYSA-N 302.246 3.256 5 1 DGBF O=[N+]([O-])c1cc2nc(C(F)(F)c3ccccn3)[nH]c2cc1F 587090396 PWZAFFMNWDCVGO-UHFFFAOYSA-N 308.219 3.145 5 1 DGBF CCO[P@@](=O)(NC(C)C)Oc1cc([N+](=O)[O-])ccc1C 102082047 RDOASNZVDYWCPP-FQEVSTJZSA-N 302.267 3.425 5 1 DGBF O=[N+]([O-])c1ccc(NC(=S)OCCc2cccc(O)c2)cc1 42878287 BWWZVAWUBUPIDO-UHFFFAOYSA-N 318.354 3.257 5 1 DGBF COc1cc2c(c3oc4ccccc4c(=O)c13)[C@@H]1C=CO[C@H]1O2 14715692 BRGIZYRNCWHMPV-YPMLDQLKSA-N 308.289 3.301 5 1 DGBF biogenic Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(Cl)c2[nH]1 587267099 FLNUVFVHLYFHDQ-MRVPVSSYSA-N 305.725 3.239 5 1 DGBF COc1ccc2c(cc3c4c(cc5c(c42)OCO5)C(=O)N3)c1OC 45386052 VQQFBJIXIQOSBS-UHFFFAOYSA-N 323.304 3.305 5 1 DGBF CCN(CC)CCOc1ccc2c(=O)c3ccccc3[nH]c2c1 138054838 YUXBUABQCQGRKI-UHFFFAOYSA-N 310.397 3.402 5 1 DGBF C[C@H]1CC[C@@H](C)CN1c1cc(=O)n2ccc3ccccc3c2n1 13608173 XYIMDEUMYCPVNQ-KGLIPLIRSA-N 307.397 3.473 5 1 DGBF COc1cc2oc3cccc(O)c3c(=O)c2c2c1[C@@H]1C=CO[C@@H]1O2 103185450 RTEGHDUCQBDALB-DCXZOGHSSA-N 324.288 3.006 5 1 DGBF O=c1c2cc3ccccc3cc2oc2c([N+](=O)[O-])c(O)cc(O)c12 28655181 MVKHEOPDKHNXGG-UHFFFAOYSA-N 323.260 3.419 5 1 DGBF Nc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cn1 587047074 ALDVKBFRVZCARI-RQOWECAXSA-N 315.720 3.272 5 1 DGBF O[C@H]1c2cc3ccc4cccc5ccc(c2[C@H]2O[C@@H]2[C@@H]1O)c3c45 2000781 DQEPMTIXHXSFOR-MTQWCTHYSA-N 302.329 3.432 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2c1 587138015 BSSIIQWZXZUJQX-UHFFFAOYSA-N 322.246 3.069 5 1 DGBF O=[N+]([O-])c1ccc(OCc2nc3ccc(F)c(F)c3[nH]2)cc1F 587149935 WNDIZGNMHAJFCU-UHFFFAOYSA-N 323.230 3.467 5 1 DGBF CC[C@H](C)Sc1nc(Cc2ccccc2[N+](=O)[O-])cc(=O)[nH]1 13556452 YGRBOMGWPQPKEA-JTQLQIEISA-N 319.386 3.160 5 1 DGBF O=C(O)C[C@H](O)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 586893185 WOTLHVGXRIBPSK-LLVKDONJSA-N 320.348 3.247 5 1 DGBF Cc1c(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cccc1[N+](=O)[O-] 101987963 QWBNFGIYGCHIFV-JLNYLFASSA-N 302.374 3.458 5 1 DGBF O=[N+]([O-])c1c2ccccc2cc2c3c(ccc12)[C@@H](O)[C@@H](O)C=C3 27890597 HXVOYNIFZXGULL-FUHWJXTLSA-N 307.305 3.322 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc([N+](=O)[O-])c1)O2 587389667 MSGCTPDNYQFFNK-KRWDZBQOSA-N 312.325 3.366 5 1 DGBF O=[N+]([O-])c1cc2nc(-c3cc(F)cc(F)c3O)[nH]c2cc1F 587134630 RWANEJTZZBTKEL-UHFFFAOYSA-N 309.203 3.261 5 1 DGBF Cc1cc2[nH]c(/C=C/C(=O)Nc3ccccc3)nc2cc1[N+](=O)[O-] 587244613 QFSYEYYLTRHLIA-BQYQJAHWSA-N 322.324 3.431 5 1 DGBF O=C(Nc1ccccc1Cl)c1nc2c([N+](=O)[O-])cccc2[nH]1 587060447 MFFJZUFLEAFWJD-UHFFFAOYSA-N 316.704 3.377 5 1 DGBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587434716 ZLOXHXJRESFRBT-GUYCJALGSA-N 311.293 3.092 5 1 DGBF Nc1c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc2ccccc12 587253239 FNFKWUNHMHWVGK-UHFFFAOYSA-N 305.297 3.269 5 1 DGBF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587930602 FGMQIMTWHNQFRB-DIFFPNOSSA-N 324.340 3.320 5 1 DGBF Cc1ccc(C[C@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 45166991 IZQIRKWVXOWWSN-KBXCAEBGSA-N 314.385 3.157 5 1 DGBF CNc1nc2ccccc2n2c(-c3cccc([N+](=O)[O-])c3)cnc12 43022606 TZFVHSFXUDKESZ-UHFFFAOYSA-N 319.324 3.499 5 1 DGBF O=[N+]([O-])c1cccc(-c2cc([C@@H]3C[C@@H]4CC[C@@H]3N4)cnc2F)c1 100010400 IMNMXRIDDYENFD-NOLJZWGESA-N 313.332 3.404 5 1 DGBF Cc1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587159232 NOKIIACVCKHUFV-UHFFFAOYSA-N 301.277 3.498 5 1 DGBF O=[N+]([O-])c1cncc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587151803 IVJFUQZCWHIYIM-BDAKNGLRSA-N 316.267 3.415 5 1 DGBF Cc1cc(=O)oc2cc(OCC[N@+]3(C)CCCC[C@H]3C)ccc12 299818154 OGOIRXVFBVWSNB-QRWLVFNGSA-N 316.421 3.499 5 1 DGBF Cc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Cl 587269119 QFVSXHDHVPUIJN-UHFFFAOYSA-N 317.736 3.440 5 1 DGBF O=C(/C=C/c1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccccc1 587243541 FXJLXCMEMLVMKW-CMDGGOBGSA-N 308.297 3.123 5 1 DGBF COc1cncc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 587139068 DOLNAGKYBCRWHN-UHFFFAOYSA-N 322.683 3.334 5 1 DGBF O=c1[nH]c(-c2ccccc2)nc2c1sc1nc3ccccc3n12 13285456 LGJZMECJSHZHSK-UHFFFAOYSA-N 318.361 3.453 5 1 DGBF CC(=O)NC1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CCC(C)CC1 587234651 SJBWZUKBZMPWBF-UHFFFAOYSA-N 316.361 3.013 5 1 DGBF O=[N+]([O-])c1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cc1F 587059965 WLUVPFRXTQRIIC-CYBMUJFWSA-N 321.695 3.345 5 1 DGBF COc1c(CO)c(OC)c2c3c(cc4ccccc42)NC(=O)c13 238774785 VBIDNLIIQJCANU-UHFFFAOYSA-N 309.321 3.068 5 1 DGBF O=C1NC(=O)c2c1c1ccccc1c1[nH]c3ccc(O)cc3c21 13679825 IRJVSHBVCRPYII-UHFFFAOYSA-N 302.289 3.064 5 1 DGBF COC(=O)COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1857642119 FRTXKVAQGAPQLV-NSCUHMNNSA-N 313.309 3.317 5 1 DGBF CC(=O)N=c1nc2c(c3c4ccccc4oc(O)c1-3)C[C@H](C)CC2 2356855975 RVCWIMLUGYHUFM-SNVBAGLBSA-N 322.364 3.210 5 1 DGBF O=C(O)c1nc2ccccc2c2[nH]c3ccc([N+](=O)[O-])cc3c12 473107063 HGWMOAFKVPUTHT-UHFFFAOYSA-N 307.265 3.476 5 1 DGBF Cc1cc2[nH]c([C@@H]3COc4ccccc4O3)nc2cc1[N+](=O)[O-] 586919112 XLKRPLFQIRCHSO-HNNXBMFYSA-N 311.297 3.292 5 1 DGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-n1cc(Br)cn1 587643653 IFTNTAXPRXHVAA-UHFFFAOYSA-N 321.134 3.333 5 1 DGBF CCC(=O)OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 1857594288 UODBVPNUZLRJER-UHFFFAOYSA-N 320.345 3.189 5 1 DGBF COC(=O)c1cccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c12 587261182 XNIXQGUFHHOOHT-UHFFFAOYSA-N 311.297 3.233 5 1 DGBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(F)cnc3[nH]2)c1F 587139267 FGMHNXZNTZASSN-UHFFFAOYSA-N 310.647 3.465 5 1 DGBF COc1ccc2ccnc3c(=O)c4cc5c(cc4oc1c23)OCO5 14619187 RWQJTWHGCWFHPH-UHFFFAOYSA-N 321.288 3.232 5 1 DGBF biogenic O=C(N[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2)c1ccccc1 87722711 LCRRVNOWOVPFEZ-WWAKMMQFSA-O 321.444 3.226 5 1 DGBF O=[N+]([O-])c1cncc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587151806 IVJFUQZCWHIYIM-RKDXNWHRSA-N 316.267 3.415 5 1 DGBF N[C@]1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCOC1 587248185 HMPOYKPVIFVJTP-LJQANCHMSA-N 303.365 3.444 5 1 DGBF C[C@@H](O)c1ncc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)s1 587022677 UTBXVNDBBHJDDF-RXMQYKEDSA-N 324.749 3.301 5 1 DGBF O=[N+]([O-])c1cccc(C2CCCCC2)c1OP(=O)(O)O 71317280 UMBNYEYAXGMKTQ-UHFFFAOYSA-N 301.235 3.114 5 1 DGBF O=c1c2ccc(Cn3ccnc3)cc2oc2cc([N+](=O)[O-])ccc12 1857753426 BKRHWHIHCFNRBV-UHFFFAOYSA-N 321.292 3.099 5 1 DGBF C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 103292249 CMLXOAFFSZJTEI-UYAOXDASSA-N 312.433 3.266 5 1 DGBF Cc1nc(N[C@@H](C)CC(C)C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821432 HEKKUDXFFBBRBP-JTQLQIEISA-N 318.381 3.034 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1[N+](=O)[O-])O2 587387050 ZGOUNWXXMONRGI-HNNXBMFYSA-N 316.288 3.331 5 1 DGBF O=[N+]([O-])c1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2cc1F 587176279 JJWJBPBIOIYSEZ-UHFFFAOYSA-N 315.239 3.293 5 1 DGBF CCc1c(C(=O)OC)c2ccccc2n2c(=O)c3ccccc3n12 1911576000 ZAAJVJNGKWAOCW-UHFFFAOYSA-N 320.348 3.054 5 1 DGBF O=[N+]([O-])c1ccc(O[C@H]2CCCC[C@@H]2Cn2ccnc2)cc1 40393585 RMHFGPDIWJPJMX-CJNGLKHVSA-N 301.346 3.429 5 1 DGBF O=C1O/C(=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc21 586905858 FFVKITLCZKEBDX-JYRVWZFOSA-N 307.265 3.140 5 1 DGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N1CCCC[C@@H]1C 587648303 BRKPNHKYXMGLNQ-JTQLQIEISA-N 301.346 3.399 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c([C@H]3SCCc4sccc43)nc2c1 587037075 RIAVELSWLNTPLF-NSHDSACASA-N 318.383 3.306 5 1 DGBF O=c1c2ccc([N+](=O)[O-])cc2sn1CCc1ccccc1 1857596442 DXWDTZRLISMHBB-UHFFFAOYSA-N 300.339 3.214 5 1 DGBF O=C(CN1[CH]C=CC=C1c1ccccn1)c1cccc([N+](=O)[O-])c1 2356829067 IQCHIYLMIMALQY-UHFFFAOYSA-N 320.328 3.247 5 1 DGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-n1cnc2ccccc2c1=O 587648572 IPTBZASAWAVPHZ-UHFFFAOYSA-N 320.308 3.084 5 1 DGBF Cc1c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cccc1[N+](=O)[O-] 587261124 VEHYXNDTAUKVQC-UHFFFAOYSA-N 316.248 3.494 5 1 DGBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(C)nccc3[nH]2)c1 587262865 ZSGXVODDAXGDOX-UHFFFAOYSA-N 312.329 3.104 5 1 DGBF O=[N+]([O-])c1ccc2c(c1)ncn2Cc1ccc(O)c2ncccc12 1857579349 CPIHNVDLTFAAEW-UHFFFAOYSA-N 320.308 3.247 5 1 DGBF CSc1nc(Nc2ccc([N+](=O)[O-])cc2)c2cccnc2n1 27655661 OJAOTWLBOOBDLK-UHFFFAOYSA-N 313.342 3.399 5 1 DGBF Nc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cn1 587266332 YPFZZPNDOXFURK-UHFFFAOYSA-N 321.296 3.375 5 1 DGBF CCCCCCN(C)C(=O)n1ncc2ccc([N+](=O)[O-])cc21 169333039 KORVPUQUSGMWNJ-UHFFFAOYSA-N 304.350 3.425 5 1 DGBF NCc1cccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587246188 LMFFROPHKZPMBC-UHFFFAOYSA-N 302.721 3.250 5 1 DGBF Cc1ccc(CCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1N 587250600 MPXPADKPJOFGJB-UHFFFAOYSA-N 310.357 3.455 5 1 DGBF Cc1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Cl 587277206 QOVLZTZKAQTWAQ-MRVPVSSYSA-N 305.725 3.239 5 1 DGBF O=C(O)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] 26386250 HGIRZIGBWAKVRS-UHFFFAOYSA-N 319.700 3.106 5 1 DGBF CC1=CN2[CH]C=CC(C)=C2N1CC(=O)c1ccc([N+](=O)[O-])cc1 2356868836 SUSSXPYANXLGTL-UHFFFAOYSA-N 310.333 3.219 5 1 DGBF O=[N+]([O-])c1cccc2nc(-c3csc4c3CCOC4)[nH]c12 587031819 MKUPTPWGKHMKGB-UHFFFAOYSA-N 301.327 3.272 5 1 DGBF Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc(OC(F)(F)F)cc1 14181023 LSBMJDLUFMJJOW-QPJJXVBHSA-N 313.235 3.397 5 1 DGBF CN1CCN2C[C@@H](c3ccc([N+](=O)[O-])cc3)c3ccccc3[C@@H]2C1 25964392 VDORHOJHUKJKQH-OALUTQOASA-N 323.396 3.029 5 1 DGBF O=[N+]([O-])c1cccc(-c2cn(-c3cccc(Cl)c3)nn2)c1 473082790 LIUXQRRGFZNZSH-UHFFFAOYSA-N 300.705 3.496 5 1 DGBF CCOC(=O)c1c(-c2ccccn2)[nH]c2cc([N+](=O)[O-])ccc12 587648817 MAHWOCUPTXYOQQ-UHFFFAOYSA-N 311.297 3.315 5 1 DGBF O=[N+]([O-])c1cc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2cc1[N+](=O)[O-] 587092285 BXTXVTVRVFYRRK-WHFBIAKZSA-N 316.195 3.045 5 1 DGBF O=[N+]([O-])c1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1 587059309 ODOQKFXAFCNOGI-ZDUSSCGKSA-N 303.705 3.206 5 1 DGBF CCOCc1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)o1 586902664 GHBUPKJABFBAHW-UHFFFAOYSA-N 305.265 3.407 5 1 DGBF O=[N+]([O-])c1ccc(Cc2nc3cccc(F)c3[nH]2)c([N+](=O)[O-])c1 587266098 ZNCSKJSNWKGACS-UHFFFAOYSA-N 316.248 3.109 5 1 DGBF O=[N+]([O-])c1ccc2[nH]nc(-c3ccc4c(ccn4CCO)c3)c2c1 1857559354 KQLSCFKVJGGIOT-UHFFFAOYSA-N 322.324 3.085 5 1 DGBF COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1C 45357585 PXEFALHTNGHZOY-UHFFFAOYSA-N 307.305 3.320 5 1 DGBF N[C@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1Cl 587060066 ZYFHDCZHSBPGOK-GFCCVEGCSA-N 316.748 3.367 5 1 DGBF CC(=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587269895 IRERQENKEBEDLQ-UHFFFAOYSA-N 309.325 3.459 5 1 DGBF Cn1c2ccc(O)cc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 203345284 BWXXMJDNLDEXEU-UHFFFAOYSA-N 323.348 3.287 5 1 DGBF COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3[N@+](C)([O-])CC2 299844834 SAWSWZQULQPSLR-FOIQADDNSA-N 311.381 3.469 5 1 DGBF CCOc1n[nH]c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1Cl 587064576 CPQLQAFKAHJFNZ-UHFFFAOYSA-N 321.724 3.222 5 1 DGBF N[C@@H](N=O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160255 ODIYJEDNTZRDMB-ZDUSSCGKSA-N 315.264 3.001 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1[N+](=O)[O-])O2 587390486 QLIKVXRKDLSGAD-QGZVFWFLSA-N 312.325 3.366 5 1 DGBF O=[N+]([O-])c1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1 586909276 WNBQONLQCDCFNG-UHFFFAOYSA-N 309.281 3.110 5 1 DGBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccnc(Cl)c2[nH]1 587158728 GODNNIHMIFVFCV-UHFFFAOYSA-N 322.683 3.238 5 1 DGBF COc1ccc2c(c1)oc1c3c(O)cc(OC)cc3oc(=O)c21 14778649 IXQMHXKCOVVPQC-UHFFFAOYSA-N 312.277 3.415 5 1 DGBF biogenic COc1cc(C)c2c(=O)c3c(O)cc(O)c(Cl)c3oc2c1 13386763 UBUNKICAVVWKMH-UHFFFAOYSA-N 306.701 3.328 5 1 DGBF biogenic O=[N+]([O-])c1ccc(OCc2nc3c(Cl)ccnc3[nH]2)cc1F 587152166 WYGPHBCROLQYPM-UHFFFAOYSA-N 322.683 3.238 5 1 DGBF C[C@@H](Sc1ncccn1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586962099 OJFVFDCYACZKBX-SSDOTTSWSA-N 319.321 3.254 5 1 DGBF O=[N+]([O-])c1cncc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587080224 LIOWSVDEAQNAMZ-LBPRGKRZSA-N 316.704 3.196 5 1 DGBF Cc1oc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587269197 SQIHHAPMLQQZSC-UHFFFAOYSA-N 312.207 3.453 5 1 DGBF CCOC(=O)c1c(C)n2c3ccccc3c(=O)n2c2ccccc12 1911573908 GSLPTVOOBUNOOW-UHFFFAOYSA-N 320.348 3.191 5 1 DGBF Cc1ccc([C@H](C)[C@H](O)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 586889754 MVAOCGVAWNSJHE-BONVTDFDSA-N 312.329 3.012 5 1 DGBF O=[N+]([O-])c1ccc(Cl)c([C@H]2NCCc3ccc(O)cc32)c1 963350738 DDBMWZPGAAPQGM-HNNXBMFYSA-N 304.733 3.189 5 1 DGBF CC(=O)Nc1cccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587242509 NNNZSNAJHLVHAP-UHFFFAOYSA-N 310.313 3.020 5 1 DGBF CC1(C)Oc2ccc3c(=O)c4ccccc4oc3c2[C@H]1C(=O)O 5742257 HQYDQOMEZQRCOO-AWEZNQCLSA-N 310.305 3.285 5 1 DGBF CC(C)=CCc1c(O)cc(O)c2c(=O)c3cccc(O)c3[nH]c12 14819122 CJYNRANNVAEISB-UHFFFAOYSA-N 311.337 3.307 5 1 DGBF biogenic,in-vitro COc1cc2ccc3cc(O)c(OC)c(OC)c3c2cc1O 14650732 ALLCCEWBLKBKBO-UHFFFAOYSA-N 300.310 3.430 5 1 DGBF biogenic O=[N+]([O-])c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587035897 WFKJMMKLPSMZDO-CYBMUJFWSA-N 315.354 3.389 5 1 DGBF CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](N2CCCCCC2)[C@@H]1O 29344915 NEUMAUBQOFXVQY-CVEARBPZSA-N 320.389 3.044 5 1 DGBF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C[N+](=O)[O-])C1)CC2=O 587473592 YEPPEIWWOZKOIX-APPDUMDISA-N 319.357 3.126 5 1 DGBF C[C@@H](Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1 13585590 JACPZVPJACONPS-GFCCVEGCSA-N 311.341 3.031 5 1 DGBF O=[N+]([O-])c1cccc(CCc2nc3c(Cl)ccnc3[nH]2)c1 587270687 QKRMLITZSWBXSL-UHFFFAOYSA-N 302.721 3.305 5 1 DGBF COc1cc(O)c2c(=O)oc3cc(O)c(Cl)c(C)c3c2c1 139239418 WMOJBLDBGQOTOS-UHFFFAOYSA-N 306.701 3.328 5 1 DGBF O=C(c1cccc2c1OCO2)c1coc2cc([N+](=O)[O-])ccc12 587278939 BNPAVMBBCVLOFD-UHFFFAOYSA-N 311.249 3.301 5 1 DGBF O=C1O/C(=C\c2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ccccc21 586906094 JBSNIVUAMPBAEQ-ZSOIEALJSA-N 307.265 3.140 5 1 DGBF N[C@@H](c1ccsc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587025301 KUXXHIHLLJMWNH-NSHDSACASA-N 308.750 3.234 5 1 DGBF C[C@@H]1Oc2c(cc(O)c3oc4c(O)cccc4c(=O)c23)C1(C)C 15148353 WJPITGSTUAHZBK-QMMMGPOBSA-N 312.321 3.416 5 1 DGBF endogenous,in-man CCCc1cc(=O)c2c(O)cc3cc(OC)cc(O)c3c2o1 13406171 PVCPEINKJJCRCO-UHFFFAOYSA-N 300.310 3.319 5 1 DGBF biogenic CC[C@@H](C)Sc1nc(Cc2ccccc2[N+](=O)[O-])cc(=O)[nH]1 13556449 YGRBOMGWPQPKEA-SNVBAGLBSA-N 319.386 3.160 5 1 DGBF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587964151 ZBKXKWCESGSKIE-YUMQZZPRSA-N 307.737 3.282 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c(CCc3ccccc3Cl)nc2c1 587059710 VGWCADOHQZMSQT-UHFFFAOYSA-N 302.721 3.305 5 1 DGBF C[C@H]1OC(c2ccccc2)(c2ccccc2)O[C@@H]1C[N+](C)(C)C 103293744 VZDHPUOQUGUUSO-VQIMIIECSA-N 312.433 3.398 5 1 DGBF O=[N+]([O-])c1c(NCc2cc(F)ccc2F)ccc2nonc12 95595114 QSGWQSALSKVMFD-UHFFFAOYSA-N 306.228 3.021 5 1 DGBF CNC(=S)C1=C[C@@H](C(C)(C)C)Oc2ccc([N+](=O)[O-])cc21 26578069 BKBNGLHMMYVPDX-ZDUSSCGKSA-N 306.387 3.332 5 1 DGBF COC(=O)c1c(C2CC(F)(F)C2)[nH]c2cccc([N+](=O)[O-])c12 587646274 MOZLWTJWEVYZFP-UHFFFAOYSA-N 310.256 3.375 5 1 DGBF COc1cc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2cc1OC 587260843 IPILCIISFMOTCN-UHFFFAOYSA-N 313.313 3.464 5 1 DGBF CNC(=S)C1=C[C@H](C(C)(C)C)Oc2ccc([N+](=O)[O-])cc21 26578070 BKBNGLHMMYVPDX-CYBMUJFWSA-N 306.387 3.332 5 1 DGBF CCc1ccccc1NC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 587240882 KBKUDJUTALUKLC-UHFFFAOYSA-N 310.313 3.286 5 1 DGBF O=C(CCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 43021837 RZBOFNUQMCYYMQ-UHFFFAOYSA-N 323.308 3.460 5 1 DGBF Cc1cc(C)n(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 1857770232 OSZALSHPRPKVHY-UHFFFAOYSA-N 311.297 3.357 5 1 DGBF Nc1nccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587047349 HCGYFHZYYVJLJG-RQOWECAXSA-N 315.720 3.272 5 1 DGBF COc1cc(OC)c2c(O)c3c(=O)c(C)c(C)oc3cc2c1 39174911 FZYRENRMDAPHEM-UHFFFAOYSA-N 300.310 3.286 5 1 DGBF biogenic O=C(c1cccc([N+](=O)[O-])c1)c1coc2cc([N+](=O)[O-])ccc12 587279557 LJCNKTYMVUSSJX-UHFFFAOYSA-N 312.237 3.480 5 1 DGBF COc1cc2c3c(c1)O[C@@H](c1csc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587454451 ZFQDMHJYSUGNTP-BONVTDFDSA-N 317.322 3.154 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1[N+](=O)[O-])O2 587390484 QLIKVXRKDLSGAD-KRWDZBQOSA-N 312.325 3.366 5 1 DGBF CCOC(=O)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645178 KGQHTZPBENIEND-UHFFFAOYSA-N 302.208 3.272 5 1 DGBF Cc1nc([N+](=O)[O-])cn1C[C@H](O)c1ccc(Cl)cc1Cl 66076672 CUKMKTSSFDLUTL-NSHDSACASA-N 316.144 3.140 5 1 DGBF O=[N+]([O-])c1cccc(-c2cc([C@@H]3C[C@H]4CC[C@@H]3N4)cnc2F)c1 28375942 IMNMXRIDDYENFD-INWMFGNUSA-N 313.332 3.404 5 1 DGBF O=c1c2ccc(O)cc2nc2c3[nH]c4ccccc4c3ccn12 238784284 RILVYSYDAFRQNY-UHFFFAOYSA-N 301.305 3.188 5 1 DGBF N[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1Cl 587060067 ZYFHDCZHSBPGOK-LBPRGKRZSA-N 316.748 3.367 5 1 DGBF CN(C)CCNc1nc2cc(C(=O)O)ccc2c2ccccc12 199793219 CUQOJIUJNZQCDE-UHFFFAOYSA-N 309.369 3.060 5 1 DGBF C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2ccccc12 238742965 NQYKYRWKFOXENE-HSZFPFIUSA-N 323.460 3.179 5 1 DGBF Cc1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1C 587271075 ZLKIVCGIRUEHDU-AWEZNQCLSA-N 310.357 3.330 5 1 DGBF COC(=O)c1c2ccccc2[n+](C)c2c3ccccc3n(C)c12 13555532 YGYHNODMXHJCGW-UHFFFAOYSA-N 305.357 3.096 5 1 DGBF COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1OC=C[C@H]1O2 2356689478 KYGRCGGBECLWMH-QGHHPUGFSA-N 324.288 3.006 5 1 DGBF Cc1nc2ccccc2n2c(-c3ccccc3[N+](=O)[O-])nnc12 73141862 QKWYLCALFFTEAL-UHFFFAOYSA-N 305.297 3.161 5 1 DGBF O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)cnc3[nH]2)cc1F 587151163 QQLKLLAYKCDZBR-UHFFFAOYSA-N 322.683 3.238 5 1 DGBF Cc1c(Cl)ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587276848 OAIRAPCQIQHMKZ-QMMMGPOBSA-N 319.752 3.433 5 1 DGBF O=[N+]([O-])c1ccc(OCc2nc3cncc(Cl)c3[nH]2)cc1F 587152272 YXYMOTUBOYWINR-UHFFFAOYSA-N 322.683 3.238 5 1 DGBF Cc1c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)oc2c1[C@@H](O)CCC2 586904047 QCHJLKLKNCYYMC-NSHDSACASA-N 313.313 3.409 5 1 DGBF O=C(O)c1cccc2nc3c(Br)cccc3nc12 1772648512 AFWOEYRAJZIZJP-UHFFFAOYSA-N 303.115 3.244 5 1 DGBF O=[N+]([O-])c1cc(F)cc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587160096 GLAJHWRNQRLIJC-UHFFFAOYSA-N 310.647 3.465 5 1 DGBF N[C@@H]1CC[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C1 587247349 PVUIDAFCJGTUBG-WDEREUQCSA-N 303.369 3.254 5 1 DGBF COc1cc(-c2nc3cccc(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261021 PTDCNGBIQSFIPU-UHFFFAOYSA-N 313.313 3.464 5 1 DGBF COc1c(-c2ccc(O)cc2)oc2ccc([N+](=O)[O-])cc2c1=O 27848212 NIHQMTDBTRCHRM-UHFFFAOYSA-N 313.265 3.082 5 1 DGBF NC(=O)Cc1ccccc1Oc1c(Cl)cccc1[N+](=O)[O-] 26392163 XPAZIRNIQFCIBP-UHFFFAOYSA-N 306.705 3.068 5 1 DGBF O=[N+]([O-])c1ccc(Cl)c([C@@H]2NCCc3ccc(O)cc32)c1 963350743 DDBMWZPGAAPQGM-OAHLLOKOSA-N 304.733 3.189 5 1 DGBF Cc1cc2[nH]c(-c3cc(N)nc4ccccc34)nc2cc1[N+](=O)[O-] 587253955 NYLDHPQKYUWHKI-UHFFFAOYSA-N 319.324 3.577 5 1 DGBF Nc1c(F)cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1F 587134842 OOUVBODSPXEQRF-UHFFFAOYSA-N 308.219 3.138 5 1 DGBF CCN(CC)CCNC(=O)c1cccc2cc3ccccc3nc12 5807612 SKQPFYLJFZBUFL-UHFFFAOYSA-N 321.424 3.460 5 1 DGBF CC[C@H]1OCCC[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586912388 OLSDZYMTMNPMEI-AMIZOPFISA-N 320.305 3.052 5 1 DGBF O=[N+]([O-])c1cccc(CCc2nc3cc4cn[nH]c4cc3[nH]2)c1 587270737 RNKDJXCHXKMVNS-UHFFFAOYSA-N 307.313 3.133 5 1 DGBF O=C(c1ccc([N+](=O)[O-])cc1)c1cc2c3c(cccc3n1)CC2 587210533 DDLQYGXPZDHZQP-UHFFFAOYSA-N 304.305 3.473 5 1 DGBF Cc1cc(=O)oc2cc(OCC[N@@+]3(C)CCCC[C@H]3C)ccc12 299818151 OGOIRXVFBVWSNB-FOIQADDNSA-N 316.421 3.499 5 1 DGBF O=C(O)c1ccccc1/C=C\c1nc2cccc([N+](=O)[O-])c2[nH]1 586881825 ZFTCWNFRBNCWIM-HJWRWDBZSA-N 309.281 3.340 5 1 DGBF COc1cc2oc3cccc(O)c3c(=O)c2c2c1[C@@H]1C=CO[C@H]1O2 2356333496 RTEGHDUCQBDALB-ASCAZGACSA-N 324.288 3.006 5 1 DGBF COc1cccc(-c2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)c1 103242911 PQRVSNBQFHBYGN-UHFFFAOYSA-N 312.281 3.450 5 1 DGBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(C)c1C 73219218 GWAMSPSBBZHZRN-UHFFFAOYSA-N 302.330 3.394 5 1 DGBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc3ncccc3c2[nH]1 587267424 KINDXIKMLYMCLW-SNVBAGLBSA-N 322.328 3.134 5 1 DGBF Cn1cc(C2=NCC3(C[C@@H]4CC[C@@H](C3)[N+]4(C)C)O2)c2ccccc21 100754773 ONBNRZJYWVTNHK-GJZGRUSLSA-N 324.448 3.095 5 1 DGBF COc1ccc([C@@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1 1642458 JRKDJDBATCWDAD-INIZCTEOSA-N 313.309 3.455 5 1 DGBF C[C]1N(C)c2ccccc2N1CC(=O)c1ccc([N+](=O)[O-])cc1 2356809517 ULOFSKIQQUPXAR-UHFFFAOYSA-N 310.333 3.243 5 1 DGBF O=[N+]([O-])c1ccc(OP(=O)(O)O)c(C2CCCCC2)c1 71316886 QFVFVHOXJMFMEM-UHFFFAOYSA-N 301.235 3.114 5 1 DGBF O=[N+]([O-])c1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1 587059308 ODOQKFXAFCNOGI-CYBMUJFWSA-N 303.705 3.206 5 1 DGBF Cc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1C 587268349 SNLKBGAYYVQWBR-UHFFFAOYSA-N 313.361 3.456 5 1 DGBF Cc1c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cccc1[N+](=O)[O-] 587261126 VLINQSXJFGHOMI-AWEZNQCLSA-N 311.301 3.170 5 1 DGBF COc1ccc2c(ccc3ccn(Cc4[nH]cnc4C)c(=O)c32)c1 13419 NVVBUPGBVLWQAY-UHFFFAOYSA-N 319.364 3.243 5 1 DGBF O=[N+]([O-])c1ccc(-c2cc([C@@H]3C[C@H]4CC[C@@H]3N4)cnc2F)cc1 28381865 VYBKMQYOOUBJRG-INWMFGNUSA-N 313.332 3.404 5 1 DGBF CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O 26988940 LXMAJSXOCKLTOT-UHFFFAOYSA-N 317.453 3.329 5 1 DGBF CCn1cc([N+](=O)[O-])c(C(=O)c2coc3ccc(Cl)cc23)n1 587277769 AUOAMJGDPQHOLF-UHFFFAOYSA-N 319.704 3.442 5 1 DGBF Nc1cncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587253524 BIYQAFHQXAUMRK-UHFFFAOYSA-N 312.336 3.304 5 1 DGBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)cc(F)c2[nH]1 587267644 OCCKPADDRDZLGQ-ZETCQYMHSA-N 323.715 3.378 5 1 DGBF Nc1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c2ccccc2n1 587253216 DCXKNSGNINYFFF-UHFFFAOYSA-N 323.287 3.408 5 1 DGBF CSc1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587267293 IDJZWPOTXNVHLN-VIFPVBQESA-N 317.374 3.307 5 1 DGBF Cc1oc2ccc3c(C)cc(=O)n(CC[N+](C)(C)C)c3c2c1C 40845045 XHWQQUNQTNCRSI-UHFFFAOYSA-N 313.421 3.379 5 1 DGBF CNc1c(F)cccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587135432 AIZSHXHLZOOGDI-UHFFFAOYSA-N 304.256 3.458 5 1 DGBF Cc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1nc2ccccc2s1 5891838 VZBMNOFXVNZPQT-UHFFFAOYSA-N 319.367 3.352 5 1 DGBF C[n+]1c2ccccc2c(NCCCN)c2[nH]c3ccccc3c21 66073722 SJWSRFMJOYOVPY-UHFFFAOYSA-O 305.405 3.060 5 1 DGBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587160164 JVFJALZVZDMTKW-UHFFFAOYSA-N 302.221 3.185 5 1 DGBF COc1cnc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1Cl 587064423 KBYTYCARJGULFS-UHFFFAOYSA-N 322.683 3.334 5 1 DGBF Cc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2n1 587269379 MESRXHQXUKKAAB-UHFFFAOYSA-N 323.356 3.442 5 1 DGBF O=c1[nH]c2ccccc2c2c1sc1cc(C3=NCCN3)ccc12 84689230 GYGGYBYRBJLBGD-UHFFFAOYSA-N 319.389 3.246 5 1 DGBF Cc1cc2[nH]c(CCc3scnc3C)nc2cc1[N+](=O)[O-] 587028286 PGWHNWXJKKHNFI-UHFFFAOYSA-N 302.359 3.330 5 1 DGBF Cc1cccc(NC(=O)Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c1C 587238562 CSHVYXWGXWCDAD-UHFFFAOYSA-N 324.340 3.269 5 1 DGBF CC(C)c1nc(=O)c2ccc([N+](=O)[O-])cc2n1-c1ccccc1 27649743 XCJCJGVGVSOWER-UHFFFAOYSA-N 309.325 3.417 5 1 DGBF Cc1cccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 587269013 HAGISKFTHVAMNU-UHFFFAOYSA-N 311.297 3.171 5 1 DGBF Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1c(=O)oc1ccccc12 26823445 BTNYAACDFHYWSK-UHFFFAOYSA-N 321.292 3.349 5 1 DGBF Cn1c(COc2ccc(F)cc2)nc2cc([N+](=O)[O-])ccc21 103187975 NWYTVMDVUJQAPJ-UHFFFAOYSA-N 301.277 3.200 5 1 DGBF O=[N+]([O-])c1cncc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587151805 IVJFUQZCWHIYIM-IUCAKERBSA-N 316.267 3.415 5 1 DGBF O=C(Cn1ccnc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 299861541 IKLFWWCIJKDTCF-UHFFFAOYSA-N 307.309 3.341 5 1 DGBF O=[N+]([O-])c1cncc2nc(COC/C=C\c3ccccc3)[nH]c12 587780973 NXFJHQQYANHYBM-DAXSKMNVSA-N 310.313 3.096 5 1 DGBF Cc1ccc(C)c2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc12 587271062 YWBXXXJEDSULFN-AWEZNQCLSA-N 310.357 3.330 5 1 DGBF Cc1oc(-c2nc3nccc(Br)c3[nH]2)cc1[N+](=O)[O-] 587268580 FOWURCAXTXAUMR-UHFFFAOYSA-N 323.106 3.197 5 1 DGBF CN(C)/C=C1\C(=O)N(c2cccc([N+](=O)[O-])c2)c2ccccc21 27518558 REWBLTPKDSHHCU-PTNGSMBKSA-N 309.325 3.176 5 1 DGBF Cc1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Cl 587277207 QOVLZTZKAQTWAQ-QMMMGPOBSA-N 305.725 3.239 5 1 DGBF Cc1c2c(=O)oc3ccc([N+](=O)[O-])cc3c2nn1-c1ccccc1 1857630257 OWBAXBOGFXPYNV-UHFFFAOYSA-N 321.292 3.349 5 1 DGBF O=C(Nc1ccccc1Cl)c1nc2cc([N+](=O)[O-])ccc2[nH]1 587060181 DPOMHRSEFDUHTO-UHFFFAOYSA-N 316.704 3.377 5 1 DGBF O=[N+]([O-])c1c(O)oc2ccccc2/c1=N/Cc1cccc(F)c1 101530988 JEWOQUVXEKVHAR-JXAWBTAJSA-N 314.272 3.287 5 1 DGBF O=C1O/C(=C/c2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ccccc21 586906093 JBSNIVUAMPBAEQ-RIYZIHGNSA-N 307.265 3.140 5 1 DGBF CCCc1nnsc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280516 ILFKLOQDZBQLQX-UHFFFAOYSA-N 317.326 3.376 5 1 DGBF O[C@@H]1c2cc3ccc4cccc5ccc(c2[C@H]2O[C@H]2[C@@H]1O)c3c45 2001186 DQEPMTIXHXSFOR-WTGUMLROSA-N 302.329 3.432 5 1 DGBF in-vitro CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C[N+](=O)[O-])C1)CC2=O 587473595 YEPPEIWWOZKOIX-PIGZYNQJSA-N 319.357 3.126 5 1 DGBF CC[C@@]1(CC[C@H](C)[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434662 XYWDHXHQHBQYFR-GDKCJGSASA-N 319.357 3.037 5 1 DGBF Oc1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cs1 587017270 KAXYUEQWNKAGEM-UHFFFAOYSA-N 319.349 3.488 5 1 DGBF O=[N+]([O-])c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 587175893 JKCPFMCFJXKKKR-UHFFFAOYSA-N 306.684 3.249 5 1 DGBF C[N+]12CCC(CC1)[C@H](Cc1nc(-c3cccc(Cl)c3)no1)C2 1857607747 OHJVDOLGOVQBRG-CURUXHCOSA-N 318.828 3.419 5 1 DGBF COc1ccc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 66260263 UFGGHUIRJJQBNM-UHFFFAOYSA-N 312.285 3.397 5 1 DGBF O=c1c2cc3ccccc3cc2oc2cc(O)c([N+](=O)[O-])c(O)c12 40918246 HWONXTBCOAUQJP-UHFFFAOYSA-N 323.260 3.419 5 1 DGBF O=[N+]([O-])c1cncc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586886948 HBHFGTJJDQGHOO-YVEFUNNKSA-N 306.325 3.238 5 1 DGBF CN(C)c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)nc1 587195627 YPXDUIAYRVIVNX-UHFFFAOYSA-N 317.736 3.253 5 1 DGBF CC[N@+]1(C)CC[C@@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 253795024 YOHJVOJFKXCILN-KSEOMHKRSA-N 324.444 3.244 5 1 DGBF CC(C)(C)c1cccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c12 587268165 MNWAMSRQZROCLG-UHFFFAOYSA-N 311.345 3.413 5 1 DGBF O=c1c2ccccc2oc2cc(OC[C@@H]3CCCO3)cc(O)c12 40877155 ACSNEHGZALRVIK-NSHDSACASA-N 312.321 3.210 5 1 DGBF CCCOc1cccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587777624 BIMXOBGUOCGQLH-UHFFFAOYSA-N 312.329 3.246 5 1 DGBF COc1c(OC)c2cc(O)cc(OC)c2c2c(O)cccc12 14650814 DRZYTLJQXLHYME-UHFFFAOYSA-N 300.310 3.430 5 1 DGBF biogenic CN(C)[C@@H](c1ccc(F)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587164607 XPSUVDGZUOBNJX-HNNXBMFYSA-N 314.320 3.261 5 1 DGBF O=[N+]([O-])c1cc(/C=C\c2nc3ncc[nH]c-3n2)ccc1Cl 587048656 XYNUUYWRMIXLTK-RQOWECAXSA-N 301.693 3.037 5 1 DGBF CCOC(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c1 587269209 SVBIXPPETMVAOF-UHFFFAOYSA-N 315.285 3.216 5 1 DGBF COc1cccc(Sc2sc(C(C)=O)nc2[N+](=O)[O-])c1 1772599735 DCPLTXOPUOQJFI-UHFFFAOYSA-N 310.356 3.414 5 1 DGBF COc1cc(CCc2ccc([N+](=O)[O-])cc2)cc(OC)c1O 1857601707 KBSGYYVHHPQKEG-UHFFFAOYSA-N 303.314 3.103 5 1 DGBF O=[N+]([O-])c1ccc([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)nc1 963097413 FDHYQOPIIVWMNF-CXAGYDPISA-N 313.332 3.239 5 1 DGBF Cc1nn(C)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1Cl 587280040 HLRQQANEVKZOMK-UHFFFAOYSA-N 319.704 3.267 5 1 DGBF O=C(c1ccccc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 587279316 GBOPEJMZXUFFSW-UHFFFAOYSA-N 312.237 3.480 5 1 DGBF O=C1C[C@]2(CCCC[C@@H]2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587513453 SREBNXQFZKRDIF-WMZOPIPTSA-N 315.369 3.489 5 1 DGBF CCOC(=O)c1c(-c2ccncc2)[nH]c2cccc([N+](=O)[O-])c12 587649146 RJUPQMWHPWQNQN-UHFFFAOYSA-N 311.297 3.315 5 1 DGBF C/C=C1/C[N+]2([O-])[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2ccccc12 238733397 CQMOEYFWKJCJNR-POGVZWABSA-N 324.424 3.047 5 1 DGBF O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)cc(F)c2[nH]1 587268502 AUQIVCARVNJNKU-UHFFFAOYSA-N 321.699 3.271 5 1 DGBF Cc1c(F)ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12 587268290 PISLWLXHNBIEKE-UHFFFAOYSA-N 317.324 3.287 5 1 DGBF COc1ccc2cc3c(=O)[nH]c(-c4ccccc4)nc3nc2c1 28641081 JTRDHRRFYSJNEL-UHFFFAOYSA-N 303.321 3.147 5 1 DGBF CC(C)(O)/C=C/c1cccc2nc3c(C(=O)O)cccc3nc12 14590783 XJFRKPMKCQUNHM-MDZDMXLPSA-N 308.337 3.265 5 1 DGBF CN1CCN(c2ccc3sc4ccccc4c(=O)c3c2)CC1 4030217 WPZZYRGPNRJKMQ-UHFFFAOYSA-N 310.422 3.167 5 1 DGBF O=C1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)N1 103162009 NYILIAZJUHCJIQ-CQSZACIVSA-N 313.288 3.378 5 1 DGBF O=[N+]([O-])c1cc2c(O)c(-c3ccccc3)c(O)nc2cc1F 36185264 DJMZJHMVMJIAOX-UHFFFAOYSA-N 300.245 3.360 5 1 DGBF CCCn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 84602080 VOSYGXWUUNKDOP-UHFFFAOYSA-N 311.341 3.170 5 1 DGBF O=[N+]([O-])c1cccc2nc(C34CCC(CO)(CC3)CC4)[nH]c12 586898625 JJQRLDVUKXOJJA-UHFFFAOYSA-N 301.346 3.055 5 1 DGBF C[C@H](Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1 13585591 JACPZVPJACONPS-LBPRGKRZSA-N 311.341 3.031 5 1 DGBF Cc1c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cccc1[N+](=O)[O-] 587260828 HRHCOKFTCQAVDO-UHFFFAOYSA-N 324.340 3.148 5 1 DGBF O=[N+]([O-])c1cccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 587088869 TYSCZAIYPPLREU-MRVPVSSYSA-N 308.288 3.221 5 1 DGBF Cc1ccc([C@@H]2CC(=O)C[C@H](c3ccccn3)[C@H]2[N+](=O)[O-])cc1 138598855 SJKMEGHCFBDJPW-JZXOWHBKSA-N 310.353 3.266 5 1 DGBF CCCCNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086339 BZUSBMISALXETA-UHFFFAOYSA-N 305.359 3.248 5 1 DGBF COc1c2c(cc3c(=O)c4c(oc5ccccc54)oc13)OCO2 238753185 OASKCNVJJSZQNA-UHFFFAOYSA-N 310.261 3.430 5 1 DGBF CCc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587957110 PXROFNWRXDPNJO-UHFFFAOYSA-N 324.340 3.244 5 1 DGBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(F)cc(F)c2[nH]1 587268391 VEHUMXFAWXCNDH-UHFFFAOYSA-N 321.287 3.118 5 1 DGBF COC(=O)c1cccc2nc3cccc(Br)c3nc12 1772610903 JUDMGCXLUCJELK-UHFFFAOYSA-N 317.142 3.332 5 1 DGBF Cc1nn(-c2cccc([N+](=O)[O-])c2)c2c1c(=O)oc1ccccc12 26753180 CMYFHNJSWAQSOK-UHFFFAOYSA-N 321.292 3.349 5 1 DGBF Cc1c(Cl)ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587276847 OAIRAPCQIQHMKZ-MRVPVSSYSA-N 319.752 3.433 5 1 DGBF C[C@@H](c1nc2cc(Cl)c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276910 OSDAWBTXYRASAV-LURJTMIESA-N 309.688 3.069 5 1 DGBF CCCCCn1c(=O)c2ccccc2c2ccc(C(N)=O)cc21 1772628531 MQHSAFNRONZHHH-UHFFFAOYSA-N 308.381 3.444 5 1 DGBF C[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)n1cc(Cl)cn1 587079140 HLZJHJMVTBKXLV-LURJTMIESA-N 309.688 3.069 5 1 DGBF COc1c(OC)c(O)c2c3c(cc4ccccc42)N(C)C(=O)c13 14779274 UAIUTBSZGUFDRV-UHFFFAOYSA-N 309.321 3.306 5 1 DGBF biogenic,in-vitro COC(=O)c1cccc2oc3c(Cl)c(C)cc(O)c3c(=O)c12 137827674 ZPEGHOCZVYBYCM-UHFFFAOYSA-N 318.712 3.400 5 1 DGBF CC(C)[C@@H](N=c1c2ccccc2n(C)c2ccccc12)C(=O)O 377841333 VAEBVIDMICBYEA-QGZVFWFLSA-N 308.381 3.341 5 1 DGBF Cc1ccc([C@@H](C)[C@H](O)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 586889753 MVAOCGVAWNSJHE-BMIGLBTASA-N 312.329 3.012 5 1 DGBF COc1cc([N+](=O)[O-])ccc1/N=c1/ssnc1Cl 16134161 ATRSCOBWBQTDNF-PKNBQFBNSA-N 303.752 3.007 5 1 DGBF CC(C)Oc1ccc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587275711 FZHSFDMBPJBDML-JTQLQIEISA-N 315.333 3.064 5 1 DGBF Cc1nn(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c(C)c1[N+](=O)[O-] 587647046 DMQYYJMCZWMDJX-UHFFFAOYSA-N 315.289 3.095 5 1 DGBF CN(C)CCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12 55734794 LIGUVABQIBSCLO-UHFFFAOYSA-O 319.432 3.272 5 1 DGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-n1cc(Br)cn1 587644183 PELZHPAOGURVLS-UHFFFAOYSA-N 321.134 3.333 5 1 DGBF C[C@@H]1CC=CC[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587969951 CKZYRHMRWSUAGQ-RKDXNWHRSA-N 302.290 3.449 5 1 DGBF O=c1oc(Nc2ccccc2Cl)nc2cc([N+](=O)[O-])ccc12 13779159 UTSSHJMSFGLDRN-UHFFFAOYSA-N 317.688 3.493 5 1 DGBF Cc1cc2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c(C)n1 587159717 VHEXCQUSUZSXOS-UHFFFAOYSA-N 316.292 3.201 5 1 DGBF COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1OC=C[C@@H]1O2 2356689477 KYGRCGGBECLWMH-BTDLBPIBSA-N 324.288 3.006 5 1 DGBF COc1ccc2c(c1)-c1[nH]c3ccc([N+](=O)[O-])cc3c1CC(=O)N2 13532124 BRQIEVOYMRUXNP-UHFFFAOYSA-N 323.308 3.246 5 1 DGBF Cc1c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cccc1[N+](=O)[O-] 587260723 BDDDXTZWBNIGHS-UHFFFAOYSA-N 315.260 3.284 5 1 DGBF COc1cc2c(cc[n+]3cc4c(OC)c(O)ccc4cc23)cc1O 238780996 XFNXEFWJCVPQEX-UHFFFAOYSA-O 322.340 3.160 5 1 DGBF Cc1cc(-c2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)ccn1 49015467 APEGWIFEFCAQQV-UHFFFAOYSA-N 315.720 3.404 5 1 DGBF CCOCCOCc1nc2c3cccnc3c3ncccc3c2[nH]1 587778155 HYIWRIORPCSUOZ-UHFFFAOYSA-N 322.368 3.212 5 1 DGBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3ncncc3[nH]2)o1 587266360 ZROFJZNZZDPZBW-UHFFFAOYSA-N 307.269 3.188 5 1 DGBF C/C=C1\C[N+]2(C)[C@H]3C[C@H]1[C@H](CO)[C@@H]2Cc1c3[nH]c2ccccc12 139982181 KRTATNOTKFNEFT-ROLHJDFISA-N 309.433 3.169 5 1 DGBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(C(C)(C)C)cc2[nH]1 587273707 KOSQCWOKZXKPFA-UHFFFAOYSA-N 313.361 3.322 5 1 DGBF CC(C)(C)SCC/N=c1\c([N+](=O)[O-])c(O)oc2ccccc12 104047754 QYWKETJFDDEPAT-VBKFSLOCSA-N 322.386 3.479 5 1 DGBF O=c1ccc([N+](=O)[O-])c[c-]1[C@H]1C[C@H](c2ccccc2F)N=N1 169691660 NCDAFPQWLWYRBV-ZIAGYGMSSA-N 300.269 3.451 5 1 DGBF Cc1c(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cccc1[N+](=O)[O-] 101987967 QWBNFGIYGCHIFV-BHPKHCPMSA-N 302.374 3.458 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c(CSCc3ccsc3)nc2c1 587024821 DMIKCLMEZMQJBM-UHFFFAOYSA-N 306.372 3.361 5 1 DGBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(Cl)ccnc2[nH]1 587158495 GBGOJGAFFCHPBG-UHFFFAOYSA-N 322.683 3.238 5 1 DGBF CCCc1sc(N)nc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587013201 JUQMSHLHRQTIRV-UHFFFAOYSA-N 321.337 3.268 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc([N+](=O)[O-])cc1)O2 587390515 QVWLRGJUSCSKAV-QGZVFWFLSA-N 312.325 3.366 5 1 DGBF O=[N+]([O-])c1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1F 587175852 IWDDEKAPNQRFCF-UHFFFAOYSA-N 324.674 3.389 5 1 DGBF C[C@H](c1nc2cc(Cl)c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276913 OSDAWBTXYRASAV-ZCFIWIBFSA-N 309.688 3.069 5 1 DGBF O=[N+]([O-])c1c(O)oc2ccccc2/c1=N/Cc1ccccc1F 101641876 IPJDGDJLIJEXJW-JXAWBTAJSA-N 314.272 3.287 5 1 DGBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Cl)cnc2[nH]1 587158809 JMUQZHNUADFJRW-UHFFFAOYSA-N 322.683 3.238 5 1 DGBF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587929865 ALGTYXAHMYMNFF-SJCJKPOMSA-N 324.340 3.320 5 1 DGBF CN(c1ccc2nc3ccccc3c(=O)n2n1)C1CCCCC1 5152297 OKMJJJISENEROA-UHFFFAOYSA-N 308.385 3.012 5 3 DGBF O=[N+]([O-])c1cccc(-c2cc([C@H]3C[C@H]4CC[C@@H]3N4)cnc2F)c1 28375949 IMNMXRIDDYENFD-XPKDYRNWSA-N 313.332 3.404 5 1 DGBF CN(C)c1ncccc1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 587195473 IAQPKAYWHSYADJ-UHFFFAOYSA-N 317.736 3.253 5 1 DGBF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 586906713 GSZKLOOZBYLOIT-SECBINFHSA-N 311.297 3.052 5 1 DGBF O=C(O)c1c(-c2ccc([N+](=O)[O-])cc2)oc2ccccc2c1=O 13820354 CZQCQZSRCYPNGK-UHFFFAOYSA-N 311.249 3.066 5 1 DGBF Cc1nn(-c2cccc([N+](=O)[O-])c2)c2[nH]c3ccccc3c(=O)c12 12405812 AZGTXWYGNNXQLD-UHFFFAOYSA-N 320.308 3.084 5 1 DGBF COc1cc2c3c(c1)O[C@@H](c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587434267 SGMVIOZWEPNLDL-SJCJKPOMSA-N 311.293 3.092 5 1 DGBF Nc1ncc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587267971 KPGQXZAULRNCPI-UHFFFAOYSA-N 324.127 3.422 5 1 DGBF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587148626 CULOBTDGRUXBDG-SSDOTTSWSA-N 320.255 3.284 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c(Cc3c[nH]c4ccc(F)cc34)nc2c1 587173871 ACVIVXNUNVKAIY-UHFFFAOYSA-N 311.276 3.077 5 1 DGBF CC(CO)(CO)NCc1c2c3c(cccc3c3ccccc13)C=C2 3791641 SLALOZRZLIQEGO-UHFFFAOYSA-N 319.404 3.310 5 1 DGBF C[n+]1c2ccccc2c(NCCCO)c2[nH]c3ccccc3c21 40936819 YEASSRRBSIALAA-UHFFFAOYSA-O 306.389 3.093 5 1 DGBF COc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c(C(=O)O)cccc12 587638720 UIYJNBYMDSTRPS-UHFFFAOYSA-N 312.281 3.450 5 1 DGBF O=C(O)c1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587280001 XVSKJTPDDQDGKE-UHFFFAOYSA-N 311.249 3.270 5 1 DGBF O=[N+]([O-])c1cccc2nc(Cc3c(F)cncc3Cl)[nH]c12 587176409 SMYVJEBGGJVUMS-UHFFFAOYSA-N 306.684 3.249 5 1 DGBF CCSC[C@@H]1C[C@](C)(O)C[C@H](c2ccc([N+](=O)[O-])cc2)O1 40898791 MPTDFBGZBJDDLK-ZNMIVQPWSA-N 311.403 3.319 5 1 DGBF C[C@H]1[C@@H]2Cc3ccc(O)c([N+](=O)[O-])c3[C@@]1(C)CCN2CC1CC1 40379899 FGTWLCWQXIFUIM-MIUNTBIASA-N 316.401 3.235 5 1 DGBF CCCc1cc(=O)c2c(O)cc3cc(O)cc(OC)c3c2o1 5807483 POMCQPYWKLKBSX-UHFFFAOYSA-N 300.310 3.319 5 1 DGBF biogenic O=[N+]([O-])c1c2ccccc2cc2c3c(ccc12)[C@@H](O)[C@H](O)C=C3 6118092 HXVOYNIFZXGULL-SJLPKXTDSA-N 307.305 3.322 5 1 DGBF O=c1nc(C2CC2)n(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 27637102 XBQRAWBAGGQBOX-UHFFFAOYSA-N 307.309 3.171 5 1 DGBF N[C@@H](Cc1ccccc1Cl)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587059601 UBJMATPLVOHUCQ-LBPRGKRZSA-N 316.748 3.367 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1F)O2 587381050 FYEKBFDNZBJNJQ-HNNXBMFYSA-N 316.288 3.331 5 1 DGBF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587964149 ZBKXKWCESGSKIE-SFYZADRCSA-N 307.737 3.282 5 1 DGBF COc1ccc2c(c1)C[C@H](c1nc3cc([N+](=O)[O-])cnc3[nH]1)CC2 587946054 ISUHOBAVUXDZJR-LLVKDONJSA-N 324.340 3.147 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586891054 RXJDLLRDUKYTJZ-SUMWQHHRSA-N 306.325 3.238 5 1 DGBF CC1=CC[C@@H]2[C@@H](O[C@@H](c3ccc([N+](=O)[O-])cc3)C[C@]2(C)F)[C@@H]1O 1772636002 AWJLFVIZGBMPCC-HHARLNAUSA-N 321.348 3.480 5 1 DGBF Cc1cc2[nH]c(COc3ccc(F)cc3)nc2cc1[N+](=O)[O-] 587169629 FIGKGKVWHGOYQQ-UHFFFAOYSA-N 301.277 3.498 5 1 DGBF O=[N+]([O-])c1cc(-c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cs1 100230459 WCKPXQMJEXBELR-UHFFFAOYSA-N 313.222 3.279 5 1 DGBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cc1[N+](=O)[O-] 587967775 RXCPRFQHTMDQAB-DJLDLDEBSA-N 300.274 3.059 5 1 DGBF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587929868 ALGTYXAHMYMNFF-YVEFUNNKSA-N 324.340 3.320 5 1 DGBF COc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cn1 587139066 DKWNZHBAUAZQLZ-UHFFFAOYSA-N 322.683 3.334 5 1 DGBF Cc1cc(C)c2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc2c1 587271064 YXGDYASUDYRHPL-AWEZNQCLSA-N 310.357 3.330 5 1 DGBF CSc1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587267290 IDJZWPOTXNVHLN-SECBINFHSA-N 317.374 3.307 5 1 DGBF CC[C@@H](C)Sc1nc(Cc2cccc([N+](=O)[O-])c2)cc(=O)[nH]1 13556455 MPHANATUQIGHMY-SNVBAGLBSA-N 319.386 3.160 5 1 DGBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cnc3ccccc3c2[nH]1 587272984 CFOQXBCCEXFABJ-SNVBAGLBSA-N 322.328 3.020 5 1 DGBF C[C@H](Sc1ncccn1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586964034 WCVDQAGRJDHJJV-QMMMGPOBSA-N 301.331 3.114 5 1 DGBF CC[C@H](C)c1nc2c(OC)cc3ccnc4ccn(c1=O)c2c34 2356835288 KQIMIOLOUJLEFD-JTQLQIEISA-N 307.353 3.356 5 1 DGBF O=C(c1ccccc1Cl)n1ncc2cc([N+](=O)[O-])ccc21 1857544809 CLYOKOCAZUNNKG-UHFFFAOYSA-N 301.689 3.286 5 1 DGBF C[C@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)N(C)C 587192649 YGEQZXLXBZPLPG-LLVKDONJSA-N 305.385 3.152 5 1 DGBF Cc1cc(Cl)cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c12 587268204 OLETVJUFSXBJMR-UHFFFAOYSA-N 303.709 3.077 5 1 DGBF O=C(CC(=O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 103220302 LWRPRWFDKFCWFG-UHFFFAOYSA-N 305.236 3.329 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c(/C=C\c3ccc(F)cc3F)nc2c1 587151109 QDGXULHUDYJEDH-RQOWECAXSA-N 302.240 3.315 5 1 DGBF CC(=O)N1C[C@H]2c3cc([N+](=O)[O-])ccc3C[C@H]1c1ccccc12 100740030 DMHBKQVRBUHDAI-MSOLQXFVSA-N 308.337 3.186 5 1 DGBF C[C@H](CO)[C@H](C)c1ccc2c(=O)c3c(O)cccc3oc2c1O 238770317 IMTSYQUHLSDENH-ZJUUUORDSA-N 314.337 3.089 5 1 DGBF Cc1oc(-c2nc3c(Br)cncc3[nH]2)cc1[N+](=O)[O-] 587268639 HPAYITHCSHUOLB-UHFFFAOYSA-N 323.106 3.197 5 1 DGBF C[C@H](CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)CC(=O)O 587961057 PBGMEJNLDVUOER-SSDOTTSWSA-N 311.725 3.168 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)cc1[N+](=O)[O-])O2 587384625 GKKXRJGCKDXFHX-HNNXBMFYSA-N 316.288 3.331 5 1 DGBF COCCNc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 587265260 NOLBBJRTWOERCT-UHFFFAOYSA-N 312.329 3.196 5 1 DGBF Nc1c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cnc2c(F)cccc12 587175946 CWWYHEWMXPLBLP-UHFFFAOYSA-N 323.287 3.408 5 1 DGBF O=c1ccc2cc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc2o1 586919040 XNQRZLGLAAEZNK-UHFFFAOYSA-N 307.265 3.245 5 1 DGBF O=C(O)c1ccccc1/C=C/c1nc2cccc([N+](=O)[O-])c2[nH]1 586881823 ZFTCWNFRBNCWIM-CMDGGOBGSA-N 309.281 3.340 5 1 DGBF O=[N+]([O-])c1cc(Br)cc2cc(Cl)c(O)nc12 1857584208 HIMVBHQVLQAFMR-UHFFFAOYSA-N 303.499 3.265 5 1 DGBF COc1ccc([C@H]2ON=C(c3ccc([N+](=O)[O-])s3)O2)cc1 49784831 HOONVFOYRDSBFE-CYBMUJFWSA-N 306.299 3.072 5 1 DGBF C[C@@H](Sc1ncccn1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586964033 WCVDQAGRJDHJJV-MRVPVSSYSA-N 301.331 3.114 5 1 DGBF Cc1nc(C2CC2)sc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587013116 XEYMHJCRZPIGKO-UHFFFAOYSA-N 301.331 3.175 5 1 DGBF C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 1911571318 HXQMZFUQSGJNPQ-LJQANCHMSA-N 312.433 3.052 5 1 DGBF COc1cc(-c2nc3ccc(C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261019 PRZMMMKCVXXFRI-UHFFFAOYSA-N 313.313 3.464 5 1 DGBF COc1cc(C)c(N)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587250072 SEZQWGWCCREOSN-UHFFFAOYSA-N 312.329 3.346 5 1 DGBF O=c1c2cc([N+](=O)[O-])ccc2sn1CCc1ccccc1 1857546839 SFKOLNOXNLIQGY-UHFFFAOYSA-N 300.339 3.214 5 1 DGBF Cc1c(Cl)ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c12 587267937 IZEUOJDBAALCIH-UHFFFAOYSA-N 303.709 3.077 5 1 DGBF O=c1c2cccc(O)c2nc2c3[nH]c4ccccc4c3ccn12 14689110 OMFWTNOKBSQADJ-UHFFFAOYSA-N 301.305 3.188 5 1 DGBF biogenic Cc1cc2[nH]c(C(F)(F)c3ccccn3)nc2cc1[N+](=O)[O-] 587090692 VSBAZFLBKKNUKU-UHFFFAOYSA-N 304.256 3.315 5 1 DGBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cnc3ccccc3c2[nH]1 587268240 YOLDBRDQBSDGMD-JTQLQIEISA-N 322.328 3.134 5 1 DGBF COc1ccc2c(c1)C[C@@H](c1nc3cc([N+](=O)[O-])cnc3[nH]1)CC2 587946055 ISUHOBAVUXDZJR-NSHDSACASA-N 324.340 3.147 5 1 DGBF O=C1C[C@]2(CCCC[C@H]2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587513450 SREBNXQFZKRDIF-AEFFLSMTSA-N 315.369 3.489 5 1 DGBF CC1=CC[C@@H]2[C@@H](O[C@H](c3ccc([N+](=O)[O-])cc3)OC2(C)C)[C@@H]1O 96933448 RCMZDJZJCUJYJG-FPCVCCKLSA-N 319.357 3.115 5 1 DGBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(O)c3[nH]2)c1 587262456 UJAAZBQABHEZLQ-UHFFFAOYSA-N 313.313 3.107 5 1 DGBF Cc1oc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1[N+](=O)[O-] 587268714 JVMDNMCBVUEORE-UHFFFAOYSA-N 315.285 3.201 5 1 DGBF O=[N+]([O-])c1cc(NCc2cccc3nonc23)ccc1Cl 96931858 GTMSMBUTSFZMMR-UHFFFAOYSA-N 304.693 3.397 5 1 DGBF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1[N+](=O)[O-])CC2=O 587470520 KRICURXWMBKQOU-NVXWUHKLSA-N 319.357 3.268 5 1 DGBF C[N+](C)(C)CCCCCCCCN1C(=O)c2ccccc2C1=O 14947235 CAQWEZOEOAAJOB-UHFFFAOYSA-N 317.453 3.329 5 1 DGBF C[C@H](c1ccc(N(C)C)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587196377 UGHXFPIKHWMANG-SNVBAGLBSA-N 311.345 3.084 5 1 DGBF C[C@H](CO)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 38540281 ZNYFJUIMEHHJBT-SNVBAGLBSA-N 317.772 3.070 5 1 DGBF Cc1cc(C)c2nccc(NCCCN(C)C)c2c1[N+](=O)[O-] 1626108 DZPSRLSXIAQJMV-UHFFFAOYSA-N 302.378 3.123 5 1 DGBF Cc1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cccc1[N+](=O)[O-] 587261052 QTOQPHPYFYAEKM-UHFFFAOYSA-N 323.234 3.207 5 1 DGBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)c(F)cc2[nH]1 587266880 BURYAKZWUFZXIN-SSDOTTSWSA-N 323.715 3.378 5 1 DGBF Cn1c([N+](=O)[O-])cnc1SCCCCCCCCC(=O)O 169347022 BXNBJSIOAHWJLD-UHFFFAOYSA-N 315.395 3.236 5 1 DGBF C[C@H]1[C@H]2Cc3ccc(O)c([N+](=O)[O-])c3[C@@]1(C)CCN2CC1CC1 101199944 FGTWLCWQXIFUIM-FVMIAERFSA-N 316.401 3.235 5 1 DGBF O=[N+]([O-])c1cncc2nc(-c3csc4ccc(O)cc34)[nH]c12 587031229 CCQJIKNAISFBLW-UHFFFAOYSA-N 312.310 3.453 5 1 DGBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(F)c(F)c2[nH]1 587159769 XQMVOQOQAIBSTO-UHFFFAOYSA-N 323.230 3.467 5 1 DGBF Cc1c(Cl)ccc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c12 587277209 QQEBPGGSTRHHJY-QMMMGPOBSA-N 305.725 3.239 5 1 DGBF CNc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 72109129 BZSFQQJCDIUDJU-UHFFFAOYSA-N 316.364 3.190 5 1 DGBF Cc1nc(C)c(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)s1 587012160 PILQIANODNUNQP-UHFFFAOYSA-N 302.359 3.444 5 1 DGBF O=[N+]([O-])c1cc(CO)cc(Br)c1-c1ccc(O)cc1 22585 GYYIKVGFGDSMHB-UHFFFAOYSA-N 324.130 3.222 5 1 DGBF Cn1c2ccccc2c(=NCCCO)c2oc3ccccc3c21 377811531 ODBGEFMRXHUZGK-UHFFFAOYSA-N 306.365 3.361 5 1 DGBF COc1cc2c(ccc3cc(O)c(OC)c(OC)c32)cc1O 1612338 XGYYXBDYFNKQER-UHFFFAOYSA-N 300.310 3.430 5 1 DGBF biogenic CC[C@@H](C)n1cc(Cl)c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)n1 587080784 YKBZIIYPCVVVCQ-SSDOTTSWSA-N 320.740 3.354 5 1 DGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N1CCCC[C@@H]1C 587649141 RDVPSHAKPIIMJA-JTQLQIEISA-N 301.346 3.399 5 1 DGBF O=[N+]([O-])c1ccn([C@H]2CCCc3c2nc2cccc4c2c3CC4)n1 587211031 KESZSKRGNJQDQO-HNNXBMFYSA-N 320.352 3.364 5 1 DGBF N=c1cc2c3cc(N)c(O)c4cccc(c5cccc(c1=O)c52)c43 26655474 CIVGOYJZTYHANZ-UHFFFAOYSA-N 312.328 3.302 5 1 DGBF CN(C)CCCNC(=O)c1cccc2c1ncc1ccccc12 27859848 PPVZZPHZAUQAFV-UHFFFAOYSA-N 307.397 3.070 5 1 DGBF CCCCn1c(=O)nc2oc3ccc4ccccc4c3cc-2c1=O 95556541 NFAIWDNFDFFELA-UHFFFAOYSA-N 320.348 3.408 5 1 DGBF Nc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cn1 587047073 ALDVKBFRVZCARI-DUXPYHPUSA-N 315.720 3.272 5 1 DGBF O=C(CCCC(=O)c1cccc([N+](=O)[O-])c1)NC1CCCC1 1857617581 KBBRSDYNTUNPSB-UHFFFAOYSA-N 304.346 3.007 5 1 DGBF O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC12CC3CC(CC(C3)C1)C2 7069020 JSQSOZXEXVOZRD-HNQUOIGGSA-N 316.357 3.286 5 1 DGBF Cc1ccc(C[C@@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 45166985 IZQIRKWVXOWWSN-KDOFPFPSSA-N 314.385 3.157 5 1 DGBF O=[N+]([O-])c1ccc(OCc2nc3ccc(Cl)nc3[nH]2)cc1F 587150167 KZXOUTAAGGIPNO-UHFFFAOYSA-N 322.683 3.238 5 1 DGBF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C[N+](=O)[O-])C1)CC2=O 587473594 YEPPEIWWOZKOIX-GTNSWQLSSA-N 319.357 3.126 5 1 DGBF COc1ncc(F)cc1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 587175284 AVRGSWXPBYANAN-UHFFFAOYSA-N 322.683 3.334 5 1 DGBF COC(=O)c1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C)cn1C 587647252 FEWHVFRBMZQZAC-UHFFFAOYSA-N 313.313 3.177 5 1 DGBF CC(C)(O)c1cc2c(cc(O)c3[nH]c4ccccc4c32)c(=O)o1 13399177 DOTPMSHSLKKXGA-UHFFFAOYSA-N 309.321 3.361 5 1 DGBF biogenic O=C(O)/C=C/C=C\c1nc2c3cccnc3c3ncccc3c2[nH]1 587969497 ULBUZXLDSKVQFX-JOTJMYPPSA-N 316.320 3.313 5 1 DGBF O=C1CCCc2c1c1cc(F)ccc1n1c(=O)c3ccccc3n21 1911578179 XAVMKOJBLYEPOC-UHFFFAOYSA-N 320.323 3.364 5 1 DGBF O=C(O)C(=Cc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2356833356 TUVJTTUOKIBECK-UHFFFAOYSA-N 314.253 3.128 5 1 DGBF C[C@H](CCC(=O)O)Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587960554 KLWBDJTYVGVUTG-SSDOTTSWSA-N 311.725 3.168 5 1 DGBF C=C1N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(C)=C1Br 957560890 DNIRKFMZEUTGNH-LBPRGKRZSA-N 309.163 3.292 5 1 DGBF CC(C)(O)C=Cc1cccc2nc3c(C(=O)O)cccc3nc12 2356613747 XJFRKPMKCQUNHM-UHFFFAOYSA-N 308.337 3.265 5 1 DGBF NCCc1cc2cc[nH]c(=O)c2c2cc(-c3ccc[nH]3)ccc12 28955872 WJMPVPWDWSULEM-UHFFFAOYSA-N 303.365 3.178 5 1 DGBF CC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2)c(C(=O)O)c1 84712667 MHYCNIXDQRQBPZ-UHFFFAOYSA-N 300.270 3.239 5 1 DGBF COc1cc(C[C@@H](C)[N+](C)(C)C)c(OC)cc1Br 28005908 VHNHSLNBQRAAPY-SNVBAGLBSA-N 317.247 3.104 5 1 DGBF CC1=CC[C@@H]2[C@@H](O[C@H](c3ccc([N+](=O)[O-])cc3)C[C@]2(C)F)[C@@H]1O 1772636003 AWJLFVIZGBMPCC-JJTUDDRGSA-N 321.348 3.480 5 1 DGBF CC1=C[C]2N(C=C1)C=C(C)N2CC(=O)c1cccc([N+](=O)[O-])c1 2356870005 KJKRVHKVTXWNEC-UHFFFAOYSA-N 310.333 3.219 5 1 DGBF O=[N+]([O-])c1cc(/C=C/c2nc3cncnc3[nH]2)ccc1Cl 587048989 FYKWRMBKKHVDBP-DUXPYHPUSA-N 301.693 3.085 5 1 DGBF C/C=C1/C[N+]2(C)CCc3c4n(c5ccccc35)[C@@H](CO)[C@H]1C[C@@H]42 33832437 HFLUPWJGJPYITM-PVZYSAHQSA-N 309.433 3.198 5 1 DGBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587160141 IVUOFYVOVHPJNB-UHFFFAOYSA-N 320.211 3.325 5 1 DGBF CCC[C@]1(C)C=C(C(=S)NC)c2cc([N+](=O)[O-])ccc2O1 26576735 ULAKLWQAYCDHEM-OAHLLOKOSA-N 306.387 3.476 5 1 DGBF Cn1c([N+](=O)[O-])cnc1/C=C/c1ccccc1Br 40424642 MVXIFILSCDGEOV-VOTSOKGWSA-N 308.135 3.261 5 1 DGBF O=[N+]([O-])c1cncc2nc(COC/C=C/c3ccccc3)[nH]c12 587780974 NXFJHQQYANHYBM-QPJJXVBHSA-N 310.313 3.096 5 1 DGBF Cc1ncc([N+](=O)[O-])n1/C(=C/c1ccc(Cl)cc1)[C@@H](C)O 1857754229 BHXOCGCCSJTVEF-MRACZJACSA-N 307.737 3.132 5 1 DGBF O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(O)cc1 179937 XFICBMXCQDISGR-HNNXBMFYSA-N 316.338 3.079 5 3 DGBF C[C]1N(C)c2ccccc2N1CC(=O)c1cccc([N+](=O)[O-])c1 2356868753 BLHGOPIHPYPKBV-UHFFFAOYSA-N 310.333 3.243 5 1 DGBF O=[N+]([O-])c1c2c(cc3c1ccc1ccccc13)C=C[C@@H](O)[C@@H]2O 6118435 LREBZIARNANHNE-QAPCUYQASA-N 307.305 3.322 5 1 DGBF CC[C@@H](C)n1cc(Cl)c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)n1 587079699 MFOUBMFJTCUULB-SSDOTTSWSA-N 320.740 3.354 5 1 DGBF O=[N+]([O-])c1ccc(-c2cc([C@H]3C[C@H]4CC[C@@H]3N4)cnc2F)cc1 28381871 VYBKMQYOOUBJRG-XPKDYRNWSA-N 313.332 3.404 5 1 DGBF COc1c(C)c(C)c([N+](=O)[O-])c(O)c1C/C=C(\C)CCC(=O)O 13759744 KDCYIKCMLNKLBW-WEVVVXLNSA-N 323.345 3.279 5 1 DGBF Cc1ncc([N+](=O)[O-])n1/C(=C/c1ccccc1Cl)[C@H](C)O 1857638795 SXACIWSUOBLDDR-PBJWJZLWSA-N 307.737 3.132 5 1 DGBF CCCCCn1c(=O)c2ccccc2c2cccc(C(N)=O)c21 1772620087 BEIQPCHIWJJTJB-UHFFFAOYSA-N 308.381 3.444 5 1 DGBF C[n+]1c2ccccc2cc2[nH]c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3c21 26965338 HXRBBXRMADUZBG-UHFFFAOYSA-O 323.288 3.115 5 1 DGBF CC(=O)N1c2ccc(O)cc2Sc2cc([N+](=O)[O-])ccc21 84654583 WYDWMXVEGIRZGR-UHFFFAOYSA-N 302.311 3.450 5 1 DGBF CC(=O)NCCc1cc(O)c2nccc3c4ccccc4[nH]c1c23 39164052 RMXWHFNVDZAMHE-UHFFFAOYSA-N 319.364 3.254 5 1 DGBF CC(=O)N[C@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 72114143 BTZUEIBGAWSRRX-MRXNPFEDSA-N 312.325 3.045 5 1 DGBF Cc1c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cccc1[N+](=O)[O-] 587262139 NQQNIOOMOKYRAG-UHFFFAOYSA-N 309.285 3.028 5 1 DGBF O=C(CN1[CH]C=CC=C1c1ccccn1)c1ccc([N+](=O)[O-])cc1 2356850772 DIVRNDZHTKETBJ-UHFFFAOYSA-N 320.328 3.247 5 1 DGBF O=[N+]([O-])c1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1F 586917412 DLUISKXKNYDSHL-AWEZNQCLSA-N 315.260 3.123 5 1 DGBF CC1(C)Oc2ccc3c(=O)c4ccccc4oc3c2[C@@H]1C(=O)O 5742413 HQYDQOMEZQRCOO-CQSZACIVSA-N 310.305 3.285 5 1 DGBF C[n+]1c(/C=C/c2cc([N+](=O)[O-])ccc2O)ccc2ccccc21 299844706 UQYBSKWIKGGLOS-UHFFFAOYSA-O 307.329 3.449 5 1 DGBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccnc2cccnc12 71334558 QGFGWTHQKYICSV-UHFFFAOYSA-N 309.285 3.182 5 1 DGBF O=C1C[C@@]2(CC[C@H](C[N+](=O)[O-])C2)Oc2c1ccc1c2CCCC1 587512448 XYJCHUPVEDFEQQ-SGTLLEGYSA-N 315.369 3.346 5 1 DGBF CCOC(=O)C(C)(C)Oc1cc(/C=C/[N+](=O)[O-])ccc1Cl 1857563679 WXWSOJAKGSNYGN-BQYQJAHWSA-N 313.737 3.308 5 1 DGBF O=C(Nc1ccccc1[N+](=O)[O-])n1sc2ccccc2c1=O 96271388 KNKPUIQZISRKHP-UHFFFAOYSA-N 315.310 3.051 5 1 DGBF COc1ccc2c(=O)c3nccc4ccc(O)c(oc2c1OC)c43 14620170 GNZFAFYCESGELU-UHFFFAOYSA-N 323.304 3.217 5 1 DGBF biogenic COc1cc2ccc3c(O)c(OC)ccc3c2c(OC)c1O 238771163 JGJZCWFRFKPKTD-UHFFFAOYSA-N 300.310 3.430 5 1 DGBF COC(=O)c1ccc(Oc2nc(Cl)ccc2[N+](=O)[O-])cc1 84733942 ZYPIUZXAUNRMLD-UHFFFAOYSA-N 308.677 3.222 5 1 DGBF COc1cc(OC)c2c(c1)cc(OC)c1c(=O)cc(C)oc12 13373687 XIPRKZKXZRMYTO-UHFFFAOYSA-N 300.310 3.280 5 1 DGBF biogenic O=[N+]([O-])c1c(NCc2ccc(Cl)cc2)ccc2nonc12 95594266 YXPCKILBMPFCNJ-UHFFFAOYSA-N 304.693 3.397 5 1 DGBF O=C(Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c2nonc12 96931854 HNFCSVWEKAXCPE-UHFFFAOYSA-N 318.676 3.037 5 1 DGBF O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\Cc1ccccc1F 102528936 IPJDGDJLIJEXJW-NBVRZTHBSA-N 314.272 3.287 5 1 DGBF COc1cccc2c(=O)n3ccc4c5ccccc5[nH]c4c3nc12 14689127 JZSAEFHLOHOUNY-UHFFFAOYSA-N 315.332 3.491 5 1 DGBF biogenic CC[C@H](C)n1cc(Cl)c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)n1 587079703 MFOUBMFJTCUULB-ZETCQYMHSA-N 320.740 3.354 5 1 DGBF CCCOc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 28771161 AUEUGUNFRSTUTE-UHFFFAOYSA-N 312.321 3.362 5 1 DGBF Nc1c(NC(=O)/C=C/c2ccccc2)cc(Cl)cc1[N+](=O)[O-] 299857122 COVWOHJOSPJWRE-VOTSOKGWSA-N 317.732 3.482 5 1 DGBF Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc(Br)cc1 11183221 RKOHFIPEQNRKJW-QPJJXVBHSA-N 308.135 3.261 5 1 DGBF COc1cc2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2cc1OC 587269162 RBGSKAVPSMNDTP-UHFFFAOYSA-N 303.274 3.057 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](Cc1ccc([N+](=O)[O-])cc1)O2 587390925 SKLONVOBZKGXHL-CYBMUJFWSA-N 312.325 3.062 5 1 DGBF O=c1ccc2cc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)ccc2o1 586919006 WTJJDTFPEKJGFW-UHFFFAOYSA-N 307.265 3.245 5 1 DGBF CC1(C)C=C([C@@H]2CCC[S@]2=O)c2cc([N+](=O)[O-])ccc2O1 27645043 HVCJOHXWKWELRR-QKKBWIMNSA-N 307.371 3.060 5 1 DGBF CCOC(=O)c1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12 587649109 QEYQDANOJHTZJO-UHFFFAOYSA-N 311.297 3.315 5 1 DGBF CC(C)[C@@H](NCc1c2ccccc2[n+](C)c2ccccc12)C(=O)O 5883675 RCYZMFAJYRPHTH-LJQANCHMSA-O 323.416 3.016 5 1 DGBF CC(C)Oc1ccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587275713 FZHSFDMBPJBDML-SNVBAGLBSA-N 315.333 3.064 5 1 DGBF COC(=O)c1ccc(N(C)c2nc(Cl)ccc2[N+](=O)[O-])cc1 95598069 YDQIYDFPZUYFPT-UHFFFAOYSA-N 321.720 3.198 5 1 DGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1C(=O)c2ccccc2C1=O 587649345 SFEKGYQDGUJGKI-UHFFFAOYSA-N 321.292 3.185 5 1 DGBF CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[N+]1(C)CCCCC1 11617106 ZFFAWJGVDWLYCL-XWSJACJDSA-N 312.518 3.455 5 1 DGBF O=[N+]([O-])c1ccc(C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 28236520 OKILAXUENZZTKR-IRXDYDNUSA-N 304.390 3.078 5 1 DGBF COc1cccc([C@H](C)Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587933213 ZGCUVFQOYMZABJ-SNVBAGLBSA-N 312.329 3.221 5 1 DGBF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587196376 UGHXFPIKHWMANG-JTQLQIEISA-N 311.345 3.084 5 1 DGBF C[C@]12CO[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc4)C[C@@H]1CC[C@]32C 169297111 KSTMBVIMPFZXMJ-GNCDUGFZSA-N 316.357 3.129 5 1 DGBF O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cn1ccnc1 28709494 GYSAXMBNXFEQKD-UHFFFAOYSA-N 307.309 3.071 5 1 DGBF CCO[P@@](=O)(NC(C)C)Oc1ccc(C)cc1[N+](=O)[O-] 72126282 HTLVBSLYHGBZMW-FQEVSTJZSA-N 302.267 3.425 5 1 DGBF COc1cc([C@H]2CC(=O)c3ccccc3O2)cc([N+](=O)[O-])c1O 98083681 WVUFJLLZSIIGLA-CQSZACIVSA-N 315.281 3.016 5 1 DGBF O=[N+]([O-])c1ccc(C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 28236515 OKILAXUENZZTKR-DLBZAZTESA-N 304.390 3.078 5 1 DGBF O=C(O)c1ccccc1/C=C/c1nc2ccc([N+](=O)[O-])cc2[nH]1 586879737 NBDKTZYTJZTFSL-VMPITWQZSA-N 309.281 3.340 5 1 DGBF COc1ccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(F)c1 587148512 JFXABXGMYHHMSB-UHFFFAOYSA-N 301.277 3.210 5 1 DGBF OCCNCCNc1ccc2c3c(c4ccccc4c(O)c13)N=N2 28757064 DVKPVKPBXWCOKP-UHFFFAOYSA-N 322.368 3.421 5 1 DGBF Cc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Cl 587277470 WOYNPKDECDFAFY-SECBINFHSA-N 319.752 3.433 5 1 DGBF Nc1nccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 587265146 OQVHOYMRUWUIJO-UHFFFAOYSA-N 321.296 3.375 5 1 DGBF O=[N+]([O-])c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 587032271 ROVBLBWEULBDSW-UHFFFAOYSA-N 301.327 3.272 5 1 DGBF O=C1C[C@]2(CC[C@@H](C[N+](=O)[O-])C2)Oc2c1ccc1c2CCCC1 587512446 XYJCHUPVEDFEQQ-KZULUSFZSA-N 315.369 3.346 5 1 DGBF CCCc1cc(=O)c2c(O)c3c(OC)cc(O)cc3cc2o1 14612804 QBJGRCDEWYDKKG-UHFFFAOYSA-N 300.310 3.319 5 1 DGBF biogenic CCO[P@](=O)(NC(C)C)Oc1ccc([N+](=O)[O-])cc1C 72122672 QVFXWRIXCQYGDM-HXUWFJFHSA-N 302.267 3.425 5 1 DGBF CC1=CC[C@@H]2[C@@H](O[C@@H](c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)F)[C@@H]1O 1772636004 AWJLFVIZGBMPCC-WRQOLXDDSA-N 321.348 3.480 5 1 DGBF C[C@@]12CC[C@H]3C[C@@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1)OC[C@]32C 169297112 KSTMBVIMPFZXMJ-FKSAFCJBSA-N 316.357 3.129 5 1 DGBF COc1cc(O)c2c(=O)oc3c(Cl)c(O)cc(C)c3c2c1 139239277 UTDMBNZXFUSYMF-UHFFFAOYSA-N 306.701 3.328 5 1 DGBF O=[N+]([O-])c1cncc2nc(CCCCc3cccc(O)c3)[nH]c12 586896074 IZKCKORFQIMSRJ-UHFFFAOYSA-N 312.329 3.137 5 1 DGBF O=[N+]([O-])c1cccc(CCc2nc3cc(Cl)ncc3[nH]2)c1 587270420 OKURZGFBEUZKCT-UHFFFAOYSA-N 302.721 3.305 5 1 DGBF CCc1c(C)[nH]c(=O)c([N+](=O)[O-])c1O[C@H]1C[C@@H](C)C[C@@H](C)C1 101667216 UUKBIHRSKUMCOY-PEGIJTEDSA-N 308.378 3.357 5 1 DGBF C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 84723375 KKEGQSSUXOGEAF-LJQANCHMSA-N 312.433 3.052 5 1 DGBF CN1CCN2C[C@@H](c3ccc([N+](=O)[O-])cc3)c3ccccc3[C@H]2C1 167857570 VDORHOJHUKJKQH-RBUKOAKNSA-N 323.396 3.029 5 1 DGBF O=[N+]([O-])c1cc(/C=C\c2nc3cncnc3[nH]2)ccc1Cl 587048990 FYKWRMBKKHVDBP-RQOWECAXSA-N 301.693 3.085 5 1 DGBF O=[N+]([O-])c1cccc2nc([C@H](O)c3ccccc3Cl)[nH]c12 587058952 JWHFNVQFMGXSDI-CYBMUJFWSA-N 303.705 3.206 5 1 DGBF CCOC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nc1CC(C)C 1772619548 RLMKYVIUIGJZIH-UHFFFAOYSA-N 317.345 3.156 5 1 DGBF N[C@@H]1CC[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C1 587247257 NVOJHSARZSMODZ-WDEREUQCSA-N 303.369 3.254 5 1 DGBF CNCCc1cc2c(c3c1ccc1cc4c(cc13)OCO4)OCO2 1772623945 HVQPSXFBBUUAHU-UHFFFAOYSA-N 323.348 3.212 5 1 DGBF COc1cc(OCc2nc3ccc(C)cc3[nH]2)ccc1[N+](=O)[O-] 587263732 ZWMGVVOZNHBPJW-UHFFFAOYSA-N 313.313 3.367 5 1 DGBF O=[N+]([O-])c1ccc(Cn2cnc3c(-c4ccco4)ncnc32)cc1 28474982 YNZLFJAXPZLQEQ-UHFFFAOYSA-N 321.296 3.043 5 1 DGBF Cc1ccc2nc3ccc(NCc4ccccc4)nn3c(=O)c2c1 5152294 JPTBBFXHINMZOY-UHFFFAOYSA-N 316.364 3.163 5 1 DGBF CSc1ccc(OCc2nc(Cl)c([N+](=O)[O-])n2C)cc1 66078048 GROLSINDDGWXBH-UHFFFAOYSA-N 313.766 3.283 5 1 DGBF CCOC(=O)CCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587278946 BSDAJUGQKDBCJS-UHFFFAOYSA-N 305.286 3.257 5 1 DGBF O=c1c([N+](=O)[O-])c(-c2ccccc2[N+](=O)[O-])oc2ccccc12 13526393 XFBDZFHZWDKMAL-UHFFFAOYSA-N 312.237 3.276 5 1 DGBF CCCOc1cccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587778053 GJPARFINSQMDRI-UHFFFAOYSA-N 312.329 3.246 5 1 DGBF C[N+](C)(C)C[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 103282622 CMLXOAFFSZJTEI-ICSRJNTNSA-N 312.433 3.266 5 1 DGBF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 586889758 MVAOCGVAWNSJHE-MEBBXXQBSA-N 312.329 3.012 5 1 DGBF CCCN[P@](=O)(OCC)Oc1cc(C)ccc1[N+](=O)[O-] 72124670 KZSFXKWZRSMFRF-FQEVSTJZSA-N 302.267 3.426 5 1 DGBF Cc1c2c3cc(NC(=O)CN)ccc3nc-2n(C)c2ccccc12 103028489 SMVJJWJQRNPUJK-UHFFFAOYSA-N 318.380 3.037 5 1 DGBF C[C@@H]1Oc2cc(O)c3c(=O)c4cccc(O)c4oc3c2C1(C)C 14636689 SPSZQWKBQUMDPB-QMMMGPOBSA-N 312.321 3.416 5 1 DGBF biogenic,in-vitro O=C(O)c1ccc2[nH]c3c4ccccc4nc(C(=O)O)c3c2c1 473107806 KUXATRZLTYYNKW-UHFFFAOYSA-N 306.277 3.266 5 1 DGBF COc1cc(O)c2c(=O)c3c(C)cc(O)cc3oc2c1Cl 13386762 CZPDUDROBNWTDV-UHFFFAOYSA-N 306.701 3.328 5 1 DGBF biogenic O=c1cc(O)oc2c1c(=O)n(C1CCCCC1)c1ccccc21 101474663 CFFCYJGTJAWIBJ-UHFFFAOYSA-N 311.337 3.319 5 1 DGBF Nc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C(F)(F)F)c1 587095712 RUDPATPRHOOUCF-UHFFFAOYSA-N 323.234 3.134 5 1 DGBF Cc1oc(-c2nc3c(Br)nccc3[nH]2)cc1[N+](=O)[O-] 587268996 PESLKCZSJZDALY-UHFFFAOYSA-N 323.106 3.197 5 1 DGBF O=C(Nc1ccc(-c2ccccc2)cn1)c1cncc([N+](=O)[O-])c1 1772586033 CWUNGSROEPMNBE-UHFFFAOYSA-N 320.308 3.304 5 1 DGBF Cn1nc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1C1CC1 587280204 NXEDRNZVSJMUAO-UHFFFAOYSA-N 311.297 3.183 5 1 DGBF O=[N+]([O-])c1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cc1F 587059966 WLUVPFRXTQRIIC-ZDUSSCGKSA-N 321.695 3.345 5 1 DGBF O=[N+]([O-])c1cncc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 587138323 HLWJCUWGGQTJRZ-UHFFFAOYSA-N 322.246 3.069 5 1 DGBF O=C(Cn1ccnc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 73197856 ORAVVQUWJJXMIU-UHFFFAOYSA-N 307.309 3.341 5 1 DGBF O=c1c2cc3ncn(C4CCCC4)c3[nH]c-2nc2ccccc12 474609975 YKJJTJCSRGQRIT-UHFFFAOYSA-N 304.353 3.493 5 1 DGBF Cc1ccnc2c1CCN[C@@]2(C)c1c[nH]c2cccc([N+](=O)[O-])c12 963073486 QHOJCYWRPHBFOI-SFHVURJKSA-N 322.368 3.189 5 1 DGBF O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 96933901 AMKBVHFDRKAYQV-UHFFFAOYSA-N 318.270 3.190 5 1 DGBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434665 XYWDHXHQHBQYFR-OMXAPOSASA-N 319.357 3.037 5 1 DGBF C[C@H]1C[N+](C)(C)C[C@H]2[C@H](COC(=O)c3ccccc3)CC[C@H]12 238779665 WIZMGHKBJJVAEH-OWLYRPNTSA-N 302.438 3.212 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc([N+](=O)[O-])c1)O2 587389668 MSGCTPDNYQFFNK-QGZVFWFLSA-N 312.325 3.366 5 1 DGBF O=C(O)/C=C/c1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 586881330 WPWQTEPOUUEALP-CMDGGOBGSA-N 309.281 3.236 5 1 DGBF CC1(C)OC(C)(C)c2nc(-c3ccc([N+](=O)[O-])s3)nnc21 27549455 JOOSMORGUOBWSH-UHFFFAOYSA-N 306.347 3.009 5 1 DGBF COc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 168635 KQMVBJBEJZHNEM-UHFFFAOYSA-N 303.299 3.291 5 1 DGBF Nc1nccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587047348 HCGYFHZYYVJLJG-DUXPYHPUSA-N 315.720 3.272 5 1 DGBF CCOC(=O)c1cn(-c2ccccc2[N+](=O)[O-])nc1CC(C)C 1772613869 DJBSMMBOGABXTP-UHFFFAOYSA-N 317.345 3.156 5 1 DGBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587274775 MCEIUHHBAIYMQS-UHFFFAOYSA-N 312.116 3.178 5 1 DGBF COc1cccc(-c2c(C(=O)O)[nH]c3c([N+](=O)[O-])cccc23)c1 103244206 PXZBWWWYRCVNLS-UHFFFAOYSA-N 312.281 3.450 5 1 DGBF O=[N+]([O-])c1ccc2oc(N3CCN(c4ccccc4)CC3)nc2c1 326529747 HAGDLLQULHUFEV-UHFFFAOYSA-N 324.340 3.063 5 1 DGBF CN1COCc2c1ccc1cc3ccc4c(c3nc21)COC(=O)N4 28022354 JXZDYANVCSQCSY-UHFFFAOYSA-N 321.336 3.374 5 1 DGBF O=C1C(c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)=Nc2ccccc21 95606426 SJVVUBXEQRYTIE-UHFFFAOYSA-N 307.265 3.099 5 1 DGBF O=[N+]([O-])c1cncc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586886937 HBHFGTJJDQGHOO-PXAZEXFGSA-N 306.325 3.238 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586891050 RXJDLLRDUKYTJZ-CXAGYDPISA-N 306.325 3.238 5 1 DGBF Cc1cc2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc2cc1[N+](=O)[O-] 586905221 ZPUWCEKUDQWTKB-WBMJQRKESA-N 309.325 3.349 5 1 DGBF Cc1ccc(CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1N 587250608 NBRXGTKEXQCCTP-UHFFFAOYSA-N 314.320 3.286 5 1 DGBF O=C(N[C@@H]1C[N+]2(Cc3ccccc3)CCC1CC2)c1ccccc1 36489886 LCRRVNOWOVPFEZ-WRSRUZKNSA-O 321.444 3.226 5 1 DGBF O=[N+]([O-])c1cnc(/C=C/c2cccc3ccccc23)n1CCO 17063393 VRIHFDUVNCUWMM-CMDGGOBGSA-N 309.325 3.107 5 1 DGBF O=[N+]([O-])c1ccc(-c2nc3ccc(C4=NCCN4)cc3s2)cc1 45350686 PVBWSUCVFQCRPT-UHFFFAOYSA-N 324.365 3.221 5 1 DGBF CCCN[P@@](=O)(OCC)Oc1ccc(C)cc1[N+](=O)[O-] 72124439 PIQXGUBIUGMIPX-HXUWFJFHSA-N 302.267 3.426 5 1 DGBF O=C(O)C(=O)CC(=O)c1ccc2ccc3ccccc3c2c1F 96937902 AVOBDIZHTDYPFM-UHFFFAOYSA-N 310.280 3.359 5 1 DGBF Cc1cc2[nH]c([C@H](C)n3cc(Cl)cn3)nc2cc1[N+](=O)[O-] 587082337 OOXCCLZKMQXRON-QMMMGPOBSA-N 305.725 3.239 5 1 DGBF CSc1nc(Nc2cccc([N+](=O)[O-])c2)c2cccnc2n1 27657467 CFORRKRUXBMZFQ-UHFFFAOYSA-N 313.342 3.399 5 1 DGBF COC(=O)c1cccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 587160224 MWMFLFIGZADHJS-UHFFFAOYSA-N 315.260 3.064 5 1 DGBF O=[N+]([O-])c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 587088176 JYMINMALDOYVKV-MRVPVSSYSA-N 308.288 3.221 5 1 DGBF O=[N+]([O-])c1cc(/C=C/c2nc3ccnc(O)c3[nH]2)ccc1Cl 587048793 YMILHAKHBITAQV-DUXPYHPUSA-N 316.704 3.396 5 1 DGBF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587964136 ZBKXKWCESGSKIE-HTQZYQBOSA-N 307.737 3.282 5 1 DGBF COc1c(C)c(C)c([N+](=O)[O-])c(N)c1C/C=C(\C)CCC(=O)O 13759773 BTZMMPLKSNEJEV-WEVVVXLNSA-N 322.361 3.156 5 1 DGBF COc1cc2c(c3oc4ccccc4c(=O)c13)[C@@H]1C=CO[C@@H]1O2 14715694 BRGIZYRNCWHMPV-XTZNXHDOSA-N 308.289 3.301 5 1 DGBF biogenic COc1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587148134 BKSWTXLMJUKSKO-UHFFFAOYSA-N 317.276 3.198 5 1 DGBF O=[N+]([O-])c1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1Cl 587086062 QSKIDUGFFPVZMN-UHFFFAOYSA-N 310.100 3.235 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc([N+](=O)[O-])c1)O2 587385541 OTTFKVJKZLQRNL-HNNXBMFYSA-N 316.288 3.331 5 1 DGBF Cc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1F 587267944 JKUDQOHEEKRWKD-UHFFFAOYSA-N 317.324 3.287 5 1 DGBF CC(C)COc1ccc(-c2nc(C(=O)O)cs2)cc1[N+](=O)[O-] 1857589111 PQGRDWCQMATHHP-UHFFFAOYSA-N 322.342 3.451 5 1 DGBF O=[N+]([O-])c1cc(Br)c2nc3ccccc3nc2c1 72108879 NDZRJAGSISJODU-UHFFFAOYSA-N 304.103 3.454 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])s1)O2 587408924 FKFYAGPOIDZTLS-NSHDSACASA-N 304.327 3.253 5 1 DGBF C[C@H](Oc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587169110 SNPITMJRCFNZDG-QMMMGPOBSA-N 302.265 3.145 5 1 DGBF N=c1cc[nH]cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587250003 WCEIGTQQFVISOT-UHFFFAOYSA-N 312.336 3.134 5 1 DGBF O=[N+]([O-])c1cc(/C=C/c2nc3cnncc3[nH]2)ccc1Cl 587048461 WEHMPKQXDSUFNO-DUXPYHPUSA-N 301.693 3.085 5 1 DGBF O=[N+]([O-])c1cccnc1NCc1nc2cccc(Cl)c2[nH]1 587268625 HHUIVFPPIXXVQT-UHFFFAOYSA-N 303.709 3.132 5 1 DGBF C=C1N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(C)=C1Br 957560889 DNIRKFMZEUTGNH-GFCCVEGCSA-N 309.163 3.292 5 1 DGBF Cc1ccc(NC(=O)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 73141190 VTDBZRRPSAXNIF-UHFFFAOYSA-N 323.308 3.206 5 1 DGBF Cc1c2c3ccccc3nc-2n(C)c2ccc(NC(=O)CN)cc12 169309428 DEITXMOXSDRYEO-UHFFFAOYSA-N 318.380 3.037 5 1 DGBF Cn1c2ccccc2c(=O)c2c(O)cc3oc(C(C)(C)O)cc3c21 15222300 JQVUGZBPLRSTLX-UHFFFAOYSA-N 323.348 3.371 5 1 DGBF biogenic O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccc(F)cc1F 45349318 WONVLINTRHHMHL-UHFFFAOYSA-N 309.228 3.223 5 1 DGBF COc1cc2ccn3c(=O)c4cc(OC)c(OC)cc4c(c1)c23 205374892 BGQXAMNCWGPIKW-UHFFFAOYSA-N 309.321 3.070 5 1 DGBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cnncc3[nH]2)o1 587265825 UADQUNCRZMBYTF-UHFFFAOYSA-N 307.269 3.188 5 1 DGBF COc1cc(/C=C/c2cc([N+](=O)[O-])ccc2O)cc(OC)c1 299841041 XNJOFVCCJSMNSI-ONEGZZNKSA-N 301.298 3.488 5 1 DGBF Cc1cc(Cl)cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587277455 WHNHFTHXOPCOIZ-VIFPVBQESA-N 319.752 3.433 5 1 DGBF CCCCCn1c(=O)c2ccccc2c2cc(C(N)=O)ccc21 1772634871 BHJRQNZCMSQRRY-UHFFFAOYSA-N 308.381 3.444 5 1 DGBF O=[N+]([O-])c1cc2nc(CCc3cccc(O)c3)[nH]c2cc1F 586897208 USJXWSUMYAQBDO-UHFFFAOYSA-N 301.277 3.101 5 1 DGBF Cc1cc(Cl)cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c12 587277545 YAPMHXMLTTZSMR-QMMMGPOBSA-N 305.725 3.239 5 1 DGBF C[C@H](Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)C1=NCCN1 13585599 ZMDCNVSZNFXVKI-LBPRGKRZSA-N 311.341 3.031 5 1 DGBF COc1cc(OC)c2c(c1)oc1c3ccc(O)cc3oc(=O)c12 14778678 GYNHMEBOILXPQT-UHFFFAOYSA-N 312.277 3.415 5 1 DGBF endogenous,in-man COc1nn(CCN(C(C)C)C(C)C)c2ccc([N+](=O)[O-])cc12 45393495 CCNBVSKYYWKCED-UHFFFAOYSA-N 320.393 3.072 5 1 DGBF Cc1ccnc2c1CCN[C@H]2c1ccc2ncccc2c1[N+](=O)[O-] 963067724 ABOPZXYERRQHTM-KRWDZBQOSA-N 320.352 3.082 5 1 DGBF O=[N+]([O-])c1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1F 587174480 PSFYZPKANCIIKP-AWEZNQCLSA-N 317.251 3.426 5 1 DGBF Cc1c(-c2cc([N+](=O)[O-])ccc2O)[nH]c2c(C(=O)O)cccc12 587637784 IVNCFNDNYJAVPL-UHFFFAOYSA-N 312.281 3.455 5 1 DGBF O=C1c2cccc([N+](=O)[O-])c2CN1C1C2CC3CC(C2)CC1C3 1857642855 QAWRRBZTYBWJPA-UHFFFAOYSA-N 312.369 3.375 5 1 DGBF O=c1c2cc3ccccc3cc2[nH]c(=S)n1C[C@H]1CCCO1 425071 VEWHJSDKFJSOIH-CYBMUJFWSA-N 312.394 3.391 5 1 DGBF Cn1c2c(O)cccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 5762055 JZQDCDLYNFZBIG-UHFFFAOYSA-N 323.348 3.287 5 1 DGBF biogenic CNC(=S)C1=CC2(CCCC2)Oc2ccc([N+](=O)[O-])cc21 26404555 KBCNXIOLBBDRII-UHFFFAOYSA-N 304.371 3.230 5 1 DGBF O=c1c(Cl)c(Cl)cnn1/C=C/c1cccc([N+](=O)[O-])c1 84653238 ZMZBIFHLJMQFOK-SNAWJCMRSA-N 312.112 3.086 5 1 DGBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)cc(F)c2[nH]1 587275040 ZXBIDEQPLHIAGW-ZETCQYMHSA-N 323.715 3.264 5 1 DGBF c1c2c(c3c4c1CCNc4cc1cc4c(cc13)OCO4)OCO2 95486216 ABTFKCCYVMVVNW-UHFFFAOYSA-N 307.305 3.418 5 1 DGBF biogenic,in-vitro COc1cccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12 29043571 PQMLSGDPSVOKBC-UHFFFAOYSA-N 307.305 3.105 5 1 DGBF COc1ccc(Cn2ccnc2)c2c(=O)c3ccccc3oc12 95590619 KZCZRCOPRXZPOC-UHFFFAOYSA-N 306.321 3.200 5 1 DGBF Clc1cccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)c1 98081959 XYPXPCLPMNHINZ-UHFFFAOYSA-N 320.743 3.474 5 1 DGBF CCOc1ccc(NC(=O)c2ccc(Cl)nc2)c([N+](=O)[O-])c1 3966288 AZTZYBQIAKREOS-UHFFFAOYSA-N 321.720 3.294 5 1 DGBF O=c1cc(N2CCC(CO)CC2)oc2c1ccc1ccccc12 13676937 IMHARDAJGFBTST-UHFFFAOYSA-N 309.365 3.155 5 1 DGBF COc1cc2ccccc2c2c(=O)n(Cc3[nH]cnc3C)ccc12 13417 JWEDLKHCRVWEHG-UHFFFAOYSA-N 319.364 3.243 5 1 DGBF Cn1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C(F)(F)F)c1 587115406 NEAFKLJOMLNDEE-UHFFFAOYSA-N 310.235 3.495 5 1 DGBF O=[N+]([O-])c1cccc(-c2ncnc(-c3cccc([N+](=O)[O-])c3)n2)c1 1649391 SAJFRSKAFOGJCD-UHFFFAOYSA-N 323.268 3.022 5 1 DGBF C[C@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)n1cc(Cl)cn1 587079143 HLZJHJMVTBKXLV-ZCFIWIBFSA-N 309.688 3.069 5 1 DGBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3ncc[nH]c-3n2)o1 587264307 FWQZRNJEKCNJBJ-UHFFFAOYSA-N 307.269 3.140 5 1 DGBF O=[N+]([O-])c1ccc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)nc1 963097418 FDHYQOPIIVWMNF-GUYCJALGSA-N 313.332 3.239 5 1 DGBF O=c1c2ccccc2oc2ccc3[nH]c(CN4CCCC4)nc3c12 29057200 UATFHXRKYKTVSB-UHFFFAOYSA-N 319.364 3.418 5 1 DGBF CC(=O)Nc1cccc(N2CC[N+]3(CCc4ccccc43)CC2)c1 66074445 PHGYAILORQXCCL-UHFFFAOYSA-O 322.432 3.029 5 1 DGBF O=c1c2ccccc2[nH]c2c1cnc1c2cnn1-c1ccccc1 28975780 ZSWYJWROFDNIDC-UHFFFAOYSA-N 312.332 3.415 5 1 DGBF COc1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1OC 587925144 BPTBWBWQODKYGH-UHFFFAOYSA-N 313.313 3.079 5 1 DGBF Cc1cc(C)n(C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 1857655245 QRDDVTYXIBSMNS-UHFFFAOYSA-N 311.297 3.357 5 1 DGBF CC(=O)N1C[C@@H]2c3cc([N+](=O)[O-])ccc3C[C@@H]1c1ccccc12 100740034 DMHBKQVRBUHDAI-ZWKOTPCHSA-N 308.337 3.186 5 1 DGBF Cc1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587270161 QYHPZCRDNYUGAC-UHFFFAOYSA-N 320.312 3.027 5 1 DGBF O=C(Nc1ccccc1[N+](=O)[O-])c1ccc2cccc(O)c2n1 474609695 SQFALGMQYOOZRE-UHFFFAOYSA-N 309.281 3.101 5 1 DGBF CCOC(=O)C(C)(C)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279727 PUOCDTOTQRPLRB-UHFFFAOYSA-N 305.286 3.113 5 1 DGBF O=[N+]([O-])c1ccc2nc(O)c(Cc3ccccc3Cl)nc2c1 107987 QDEYMWAYCBZLGD-UHFFFAOYSA-N 315.716 3.488 5 1 DGBF COc1ccc2c(=O)c3nccc4ccc(OC)c(oc2c1O)c43 14691006 JBWYXHCUKXERPB-UHFFFAOYSA-N 323.304 3.217 5 1 DGBF biogenic CNc1cc(Cl)ccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587066581 NTKWVDBMWRQDKM-UHFFFAOYSA-N 303.709 3.228 5 1 DGBF Cc1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587148112 AOYADQLQMPIUDS-UHFFFAOYSA-N 301.277 3.498 5 1 DGBF C[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)N(C)C 587192339 UAWLJRMWYPODRX-NSHDSACASA-N 305.385 3.152 5 1 DGBF Nc1cccc(O)c1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587251093 YORYIFYJPMDRRC-UHFFFAOYSA-N 304.693 3.079 5 1 DGBF CN(C)C[C@@H](O)c1cc2c(c3c1ccc1ccccc13)OCO2 14715580 ZWKNRTYDZIWZBH-MRXNPFEDSA-N 309.365 3.317 5 1 DGBF biogenic CCOc1ccc(C(=O)CN2[CH]C=CC(C)=C2)cc1[N+](=O)[O-] 2356847383 CYGLOUGXCWYUFA-UHFFFAOYSA-N 301.322 3.114 5 1 DGBF COc1c(O)cc2cc(OC)c3cc(O)ccc3c2c1OC 14650808 GIVSZLKTIBWYRM-UHFFFAOYSA-N 300.310 3.430 5 1 DGBF biogenic CC[n+]1c2ccnc(O)c2c(C)c2c3cc(OC)ccc3[nH]c21 101424631 WYGSVWCPRDKUTQ-UHFFFAOYSA-O 308.361 3.199 5 1 DGBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(F)cc2[nH]1 587272971 CEEDLSRSLZEKTO-SSDOTTSWSA-N 323.715 3.264 5 1 DGBF O=[N+]([O-])c1cccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587035413 PWLWTWAULRWBAG-GFCCVEGCSA-N 315.354 3.389 5 1 DGBF O=C(O)CCc1nnc2c3ccccc3c3ccccc3c2n1 40379674 HNLIGZMXIHKUPW-UHFFFAOYSA-N 303.321 3.348 5 1 DGBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(C(C)(C)C)c2[nH]1 587274977 YOJMEVWMAZTACI-UHFFFAOYSA-N 313.361 3.322 5 1 DGBF C[C@@H](c1nc2cc3ccccc3cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276873 OKYJLPRFOXUZHQ-JTQLQIEISA-N 307.313 3.430 5 1 DGBF Cc1ncsc1CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587028662 ZGCRGLFAPVDLMF-UHFFFAOYSA-N 306.322 3.160 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 587079381 DDCDCZPCHYCMEZ-GFCCVEGCSA-N 316.704 3.196 5 1 DGBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc3ncccc3c2[nH]1 587273645 JRXJUWRXAHNAIP-SNVBAGLBSA-N 322.328 3.020 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c(COC/C=C/c3ccccc3)nc2c1 587780899 LIMWLTRLNYLIQK-QPJJXVBHSA-N 310.313 3.096 5 1 DGBF C[C@H]1CC[C@H](C)N1[C@@H]1c2cc([N+](=O)[O-])ccc2OC(C)(C)[C@H]1O 29344568 OTFBPNVHKZMEKX-QMMBQJITSA-N 320.389 3.041 5 1 DGBF C[C@]1(Cc2ccc([N+](=O)[O-])cc2)N(O)c2ccccc2[N+]1=O 137934042 KHHCDNSBAPPIEL-HNNXBMFYSA-N 300.294 3.173 5 1 DGBF Cn1nc(C2CC2)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587278938 BMGWJWXYRIKOII-UHFFFAOYSA-N 311.297 3.183 5 1 DGBF c1ccc2c(N3CCNCC3)c3[nH]c4ccccc4c3nc2c1 95580366 RAAJVQUHQNLMOP-UHFFFAOYSA-N 302.381 3.279 5 1 DGBF O=C(O)c1cn2c3ccccc3oc3c(F)c(F)cc(c1=O)c32 28979797 PTXQNFVPFPCIIK-UHFFFAOYSA-N 315.231 3.175 5 1 DGBF CC1(C)C[C@H](OCC[N+](=O)[O-])[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3 103218417 JDMGPKGPWLQWMW-AUOOEQCUSA-N 311.422 3.026 5 1 DGBF COc1cnc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1Cl 587065511 RAYOSAANAKXDCJ-UHFFFAOYSA-N 304.693 3.195 5 1 DGBF O=C(c1ccc([N+](=O)[O-])o1)c1coc2cc([N+](=O)[O-])ccc12 587280300 RQBLMZVYHSKWDL-UHFFFAOYSA-N 302.198 3.073 5 1 DGBF C[C@@]12CC[C@H]3C[C@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1)OC[C@]32C 13153876 KSTMBVIMPFZXMJ-RGXXSHLXSA-N 316.357 3.129 5 1 DGBF C[C@H]1[C@H]2Cc3cc([N+](=O)[O-])c(O)cc3[C@@]1(C)CCN2CC1CC1 101198818 CDSURSMPIIMELV-POHZPAGDSA-N 316.401 3.235 5 1 DGBF Cc1c2c3cc(NC(=N)N)ccc3nc-2n(C)c2ccccc12 653758639 IWNBQZGKQWVEIG-UHFFFAOYSA-N 303.369 3.445 5 1 DGBF CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC[C@@H](O)C[N+]1(C)CCCCC1 245848 ZFFAWJGVDWLYCL-OKYOBFRVSA-N 312.518 3.455 5 1 DGBF C[C@@H]1CC[C@@H](C)N1[C@@H]1c2cc([N+](=O)[O-])ccc2OC(C)(C)[C@H]1O 29344558 OTFBPNVHKZMEKX-WVATUKLVSA-N 320.389 3.041 5 1 DGBF CCC1(CC)C=C(C(=S)NC)c2cc([N+](=O)[O-])ccc2O1 26578227 ZVYUXZBGLICWMB-UHFFFAOYSA-N 306.387 3.476 5 1 DGBF O=C(c1ccc(Cl)nn1)c1coc2cc([N+](=O)[O-])ccc12 587280213 OGCLWWZGLRKJNP-UHFFFAOYSA-N 303.661 3.015 5 1 DGBF CC(=O)Nc1ccc(F)cc1Sc1ncccc1[N+](=O)[O-] 34338972 MYFWOSZRGFNEKW-UHFFFAOYSA-N 307.306 3.239 5 1 DGBF O=[N+]([O-])c1cc2nc(-c3occ4c3CCC4)[nH]c2cc1[N+](=O)[O-] 586905522 SDQIFOUUUBFVHE-UHFFFAOYSA-N 314.257 3.128 5 1 DGBF Cc1ccc(OCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 587565340 BTWVNDRBTPACND-UHFFFAOYSA-N 301.277 3.498 5 1 DGBF CC[N+]1(C)CC[C@@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 1628525 YOHJVOJFKXCILN-BMHUVXDISA-N 324.444 3.244 5 1 DGBF CCOC(=O)COc1ccc2c(ccc3oc([N+](=O)[O-])cc32)c1 25972899 GWDXRJDHTMYYPN-UHFFFAOYSA-N 315.281 3.436 5 1 DGBF Cc1cccnc1NC(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587647119 QMNONRJUCQJVAI-UHFFFAOYSA-N 310.313 3.340 5 1 DGBF CC(C)(CC(=O)O)Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587955794 OZSYSKOHLWIKMP-UHFFFAOYSA-N 311.725 3.168 5 1 DGBF COc1ccc2nc3ccc(OC)cc3c(SCCO)c2c1 5582580 KQQNVJYEAFNAOR-UHFFFAOYSA-N 315.394 3.490 5 1 DGBF CN1CCN2C[C@H](c3ccc([N+](=O)[O-])cc3)c3ccccc3[C@H]2C1 58534794 VDORHOJHUKJKQH-RTBURBONSA-N 323.396 3.029 5 1 DGBF O=[N+]([O-])c1cccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 586907443 GMJPMCSHURXYMM-UHFFFAOYSA-N 309.281 3.110 5 1 DGBF Cc1cc2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2cc1[N+](=O)[O-] 587160223 MTSNBTWIAMLIPN-UHFFFAOYSA-N 316.248 3.494 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c([N+](=O)[O-])cccc31)O2 587391890 ZVABAPRTCMWLQT-GOSISDBHSA-N 324.336 3.292 5 1 DGBF CC1(C)C=C([C@H]2CCC[S@]2=O)c2cc([N+](=O)[O-])ccc2O1 27645049 HVCJOHXWKWELRR-SZNDQCEHSA-N 307.371 3.060 5 1 DGBF COc1cc2oc3ccc(Br)cc3c(=O)c2cc1O 73196700 CEIQIJVDCXFDRD-UHFFFAOYSA-N 321.126 3.423 5 1 DGBF C[C@@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc2ccccc2c1 96929371 LEAQBCCIWUFWOI-BUUCAEBMSA-N 323.352 3.496 5 1 DGBF Clc1ccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)cc1 98083610 ZRKWKXJDPLESSS-UHFFFAOYSA-N 320.743 3.474 5 1 DGBF COc1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587159763 XIWPXLWIYAEMGK-UHFFFAOYSA-N 317.276 3.198 5 1 DGBF C[C@@H]1C[N+](C)(C)C[C@@H]2[C@@H](COC(=O)c3ccccc3)CC[C@@H]12 14959445 WIZMGHKBJJVAEH-NRSFXHEJSA-N 302.438 3.212 5 1 DGBF biogenic,in-vitro CC(=O)N1C[C@@H]2c3cc([N+](=O)[O-])ccc3C[C@H]1c1ccccc12 29567506 DMHBKQVRBUHDAI-ROUUACIJSA-N 308.337 3.186 5 1 DGBF CSc1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587269145 QWXHENPWDGOXMR-UHFFFAOYSA-N 315.358 3.200 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])cc1F)O2 587385193 MRDDLBDCECUKSP-OAHLLOKOSA-N 316.288 3.331 5 1 DGBF CC1(C)C=C(N2CCCCC2=O)c2sc([N+](=O)[O-])cc2O1 27442382 VSGHVDPZLWOERV-UHFFFAOYSA-N 308.359 3.181 5 1 DGBF Cc1nc2ccccc2c2ncn(Cc3ccccc3)c(=O)c12 73197541 BQBJKKJZIMIGRU-UHFFFAOYSA-N 301.349 3.301 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1F)O2 587385191 MRDDLBDCECUKSP-HNNXBMFYSA-N 316.288 3.331 5 1 DGBF CNc1cc(Cl)ccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587066166 GRLFMOVRBFYHKH-UHFFFAOYSA-N 303.709 3.228 5 1 DGBF COc1cc2c(c3oc4ccccc4c(=O)c13)[C@H]1C=CO[C@@H]1O2 14715690 BRGIZYRNCWHMPV-MLCYQJTMSA-N 308.289 3.301 5 1 DGBF biogenic O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(F)cc2[nH]1 587268767 DRIJSDWCMKZOQB-UHFFFAOYSA-N 315.260 3.002 5 1 DGBF N=C(S)Nc1ccccc1Oc1cc([N+](=O)[O-])ccc1N 26662541 AJPPOGDYLGPNMT-UHFFFAOYSA-N 304.331 3.246 5 1 DGBF O=C(CCc1ccccc1)c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1 587953725 RMJLJJUPZBMGHB-UHFFFAOYSA-N 313.288 3.426 5 1 DGBF Nc1ncnc2c1sc1ncc(-c3ccc([N+](=O)[O-])cc3)cc12 299871579 YSIJTMOSLJNRIZ-UHFFFAOYSA-N 323.337 3.397 5 1 DGBF COc1cc(OC)c2[nH]c(-c3cccc([N+](=O)[O-])c3C)nc2c1 587260874 JZOYGCUMNUJPGF-UHFFFAOYSA-N 313.313 3.464 5 1 DGBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(C)cnc3[nH]2)c1 587263695 ZAIIDYAOHBXTEO-UHFFFAOYSA-N 312.329 3.104 5 1 DGBF CCCCN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 96176099 BRBSBILYYQGVNZ-UHFFFAOYSA-N 314.389 3.065 5 1 DGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N1CCCC[C@H]1C 587648304 BRKPNHKYXMGLNQ-SNVBAGLBSA-N 301.346 3.399 5 1 DGBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(CO)cc3[nH]2)c1F 587140336 ZVEHETFJBLUKPV-UHFFFAOYSA-N 321.695 3.423 5 1 DGBF Cc1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587159160 KTRGNSPOOODETA-UHFFFAOYSA-N 301.277 3.498 5 1 DGBF CCc1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270811 QJBFDPLLHPBDEW-AWEZNQCLSA-N 310.357 3.276 5 1 DGBF O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1Nc1cccc([N+](=O)[O-])c1 13737778 IHWCZNDXJCXVBS-HNNXBMFYSA-N 313.269 3.043 5 1 DGBF COc1cc(O)cc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1 35964681 ZHRTUUVXZIBPTF-UHFFFAOYSA-N 309.277 3.002 5 1 DGBF C[C@H]1[C@@H]2Cc3cc([N+](=O)[O-])c(O)cc3[C@@]1(C)CCN2CC1CC1 40957041 CDSURSMPIIMELV-GYOIFBIXSA-N 316.401 3.235 5 1 DGBF O=C(O)c1ccc(C(F)(F)F)c2c(=O)c3ccccc3[nH]c12 62260196 ALQVPSZZGLMOIY-UHFFFAOYSA-N 307.227 3.398 5 1 DGBF C[C@H](Oc1ccc(F)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587168816 NLYLBCWILBRMEK-QMMMGPOBSA-N 302.265 3.145 5 1 DGBF Bc1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2 263614928 YOCYALJMOMMNNJ-UHFFFAOYSA-N 322.180 2.914 5 1 DGBF in-vitro Cc1c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cccc1[N+](=O)[O-] 587261197 YEPVDFMJLLMPLR-UHFFFAOYSA-N 315.260 3.284 5 1 DGBF Cc1cccnc1NC(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587646524 DVTNWCJDHGYKNM-UHFFFAOYSA-N 310.313 3.340 5 1 DGBF COc1cc(OC)c2cc3c4c(cc5c(c4c2c1)OCO5)C(=O)N3 14727096 IVQJJWTYXXUJQG-UHFFFAOYSA-N 323.304 3.305 5 1 DGBF biogenic,in-vitro Nc1c(F)c(F)cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1F 587137097 SRAPKTNTCFTVQR-UHFFFAOYSA-N 308.219 3.138 5 1 DGBF O=c1c2ccccc2oc2c([N+](=O)[O-])ccc(Cn3ccnc3)c12 13509460 VKGUMSNSPMTJMS-UHFFFAOYSA-N 321.292 3.099 5 1 DGBF in-vivo O=C(CC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 103221593 UNJJMERCJXKTBI-UHFFFAOYSA-N 305.236 3.329 5 1 DGBF Cc1cc2[nH]c(-c3cc(CO)ccc3F)nc2cc1[N+](=O)[O-] 587140583 NXVVBXJMORRYLP-UHFFFAOYSA-N 301.277 3.078 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1[N+](=O)[O-])O2 587382580 SJYWUQZOHSHMTG-CQSZACIVSA-N 316.288 3.331 5 1 DGBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(Cl)cc2[nH]1 587268335 RUHZVKRFCSMICM-UHFFFAOYSA-N 319.752 3.493 5 1 DGBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1CC(F)(F)F 587645690 BCBBTLOXHGTZMC-UHFFFAOYSA-N 316.235 3.358 5 1 DGBF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587930604 FGMQIMTWHNQFRB-PIGZYNQJSA-N 324.340 3.320 5 1 DGBF CCn1ncc([N+](=O)[O-])c1C(=O)c1coc2ccc(Cl)cc12 587279182 XYCQGFRJFQNQQY-UHFFFAOYSA-N 319.704 3.442 5 1 DGBF CCOC(=O)c1cnc2c(ccc3cc4c(cc32)OCCO4)c1 1857561969 OREGMBFKWDBMKA-UHFFFAOYSA-N 309.321 3.336 5 1 DGBF c1cc(-c2nc[nH]n2)c2nc(N3CCCC3)c3ccncc3c2c1 73168444 GZPFCSWSXRQYKX-UHFFFAOYSA-N 316.368 3.168 5 1 DGBF CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 1772589418 MQUASWDVRJNBQH-UHFFFAOYSA-N 310.291 3.055 5 1 DGBF O=C(O)c1cccc2nc3cccc(Br)c3nc12 1857743845 CAKISMOGCAESFG-UHFFFAOYSA-N 303.115 3.244 5 1 DGBF CCCN[P@@](=O)(OCC)Oc1cc(C)ccc1[N+](=O)[O-] 72124669 KZSFXKWZRSMFRF-HXUWFJFHSA-N 302.267 3.426 5 1 DGBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 587267233 HJYLVWFLMFULQQ-QMMMGPOBSA-N 305.725 3.239 5 1 DGBF O=[N+]([O-])c1cccc(-c2c[nH]c(SCCc3c[nH]cn3)n2)c1 13764193 NSOGSICTJNUTKJ-UHFFFAOYSA-N 315.358 3.043 5 1 DGBF COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3[N@@+](C)([O-])CC2 255264107 SAWSWZQULQPSLR-QRWLVFNGSA-N 311.381 3.469 5 1 DGBF Cc1cccc(NC(=O)Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1C 587239776 XIXQMLVYNYUARG-UHFFFAOYSA-N 324.340 3.269 5 1 DGBF CC(C)N(C(C)C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 29488782 QTKCBHAFOZUUOB-UHFFFAOYSA-N 320.798 3.056 5 1 DGBF O=[N+]([O-])c1ccc(O[C@H]2CCCC[C@@H]2n2ccnc2)c(F)c1 66073844 UZHWBCDZXPJXJL-ZFWWWQNUSA-N 305.309 3.493 5 1 DGBF C[C@@H]([C@@H]1COC(c2ccccc2)(c2ccccc2)O1)[N+](C)(C)C 42989078 WTEHQRIXJACFHE-LPHOPBHVSA-N 312.433 3.398 5 1 DGBF O=c1ccc(C(F)(F)F)cn1-c1ccc([N+](=O)[O-])cc1Cl 73296565 NARNJHSOWAJMES-UHFFFAOYSA-N 318.638 3.418 5 1 DGBF O=[N+]([O-])c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 587129472 LFVDVIYZACTDPB-UHFFFAOYSA-N 320.255 3.177 5 1 DGBF O=[N+]([O-])c1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1F 587174483 PSFYZPKANCIIKP-CQSZACIVSA-N 317.251 3.426 5 1 DGBF Cc1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587265565 WEVMSNPAQXLPMM-UHFFFAOYSA-N 312.285 3.279 5 1 DGBF Cc1ccc(Nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 103948493 XKZJWMKNPLMNIV-UHFFFAOYSA-N 318.245 3.463 5 1 DGBF O=c1c2ccccc2oc2cc(OC[C@H]3CCCO3)cc(O)c12 40877158 ACSNEHGZALRVIK-LLVKDONJSA-N 312.321 3.210 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c(Cc3ccccc3C(F)(F)F)nc2c1 587106376 ASSHATUPGAJNCY-UHFFFAOYSA-N 322.246 3.476 5 1 DGBF Cc1cc(F)c2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc2c1 587268415 WSSGYDOXBMYXAO-UHFFFAOYSA-N 317.324 3.287 5 1 DGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)NCc1ccccc1 587646824 KUQGWUCEOMBYPO-UHFFFAOYSA-N 309.325 3.315 5 1 DGBF CN1CCN2C[C@H](c3ccc([N+](=O)[O-])cc3)c3ccccc3[C@@H]2C1 36288968 VDORHOJHUKJKQH-MOPGFXCFSA-N 323.396 3.029 5 1 DGBF O=[N+]([O-])c1cccc(CCc2nc3c(F)cnc(Cl)c3[nH]2)c1 587270765 SOZVOUCHWOBRNM-UHFFFAOYSA-N 320.711 3.444 5 1 DGBF Nc1n[nH]c2c1c(Nc1ccc([N+](=O)[O-])cc1)nc1ccccc12 1772583886 RCOGDCQGRINISS-UHFFFAOYSA-N 320.312 3.345 5 1 DGBF Cn1cc([N+](=O)[O-])cc1-c1nnc(-c2cc3ccccc3[nH]2)o1 103281376 FERVPBISMSMAGF-UHFFFAOYSA-N 309.285 3.132 5 1 DGBF CC(=O)c1ccc(Nc2ccccc2[N+](=O)[O-])c(C(=O)O)c1 84727641 SMXHYQFDLNNKGY-UHFFFAOYSA-N 300.270 3.239 5 1 DGBF O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\CCc1ccccc1 102297521 ORXQZJMQACSAKN-OBGWFSINSA-N 310.309 3.190 5 1 DGBF O=[N+]([O-])c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 586898784 KKMFCFPOSMNSEN-UHFFFAOYSA-N 301.346 3.055 5 1 DGBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])s1)[C@@H](C2)C3=O 587448653 APKRCFVGKXQRQH-VFZGTOFNSA-N 317.322 3.154 5 1 DGBF CCn1ncc(Cl)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279778 ALTCJUMWZDKLML-UHFFFAOYSA-N 319.704 3.442 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc([N+](=O)[O-])cc31)O2 587391886 ZTVRKUWMHRYDGH-SFHVURJKSA-N 324.336 3.292 5 1 DGBF COc1ccc2c3c1O[C@@H](c1ccc(O)cc1)[C@@H]3[N+](C)(C)CC2 6519795 LQHAQKPJBTXMIP-MSOLQXFVSA-O 312.389 3.208 5 1 DGBF Cc1cc2[nH]c(-c3cc(F)c(F)c(N)c3F)nc2cc1[N+](=O)[O-] 587136789 NBHWICGKCGXFMO-UHFFFAOYSA-N 322.246 3.446 5 1 DGBF CC1=C[C]2N(C=C1)C=C(C)N2CC(=O)c1ccc([N+](=O)[O-])cc1 2356817625 OYTOKPFTSFEKTC-UHFFFAOYSA-N 310.333 3.219 5 1 DGBF C[C@@H]([C@H]1COC(c2ccccc2)(c2ccccc2)O1)[N+](C)(C)C 42989080 WTEHQRIXJACFHE-QFBILLFUSA-N 312.433 3.398 5 1 DGBF COc1c(O)cc2ccc3c(OC)ccc(O)c3c2c1OC 49792999 RWWKZMYUOWSSPW-UHFFFAOYSA-N 300.310 3.430 5 1 DGBF biogenic,in-vitro O=c1c2cc(Cl)ccc2cnn1-c1cccc(F)c1[N+](=O)[O-] 587651515 LCZWQNJRCWLZDE-UHFFFAOYSA-N 319.679 3.086 5 1 DGBF O=C(/C=C/c1nc2cccc([N+](=O)[O-])c2[nH]1)Nc1ccccc1 587243824 JBCCQFUIQFYHED-MDZDMXLPSA-N 308.297 3.123 5 1 DGBF N[C@H](c1ccsc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587025300 KUXXHIHLLJMWNH-LLVKDONJSA-N 308.750 3.234 5 1 DGBF Cc1ccnc2c1CCN[C@]2(C)c1c[nH]c2cccc([N+](=O)[O-])c12 963073485 QHOJCYWRPHBFOI-GOSISDBHSA-N 322.368 3.189 5 1 DGBF COc1cc2cc(C)n3c(=O)c4cc5c(cc4c(c1)c23)OCO5 140121730 VNGXAACSTLPKAN-UHFFFAOYSA-N 307.305 3.089 5 1 DGBF C[C@H](CO)[C@@H](C)c1ccc2c(=O)c3c(O)cccc3oc2c1O 2356596300 IMTSYQUHLSDENH-NXEZZACHSA-N 314.337 3.089 5 1 DGBF O=c1c(C2CC2)coc2cc3occ(C4CC4)c(=O)c3c(O)c12 653859669 LEPIXOOQZHAEOU-UHFFFAOYSA-N 310.305 3.360 5 1 DGBF O=[N+]([O-])c1cccc(CCc2nc3cc(Cl)cnc3[nH]2)c1 587270232 KPWATVGGBBOHBW-UHFFFAOYSA-N 302.721 3.305 5 1 DGBF O=[N+]([O-])c1cncc2nc([C@H]3SCCc4sccc43)[nH]c12 587036710 KHFMROWSTANWLU-LBPRGKRZSA-N 318.383 3.306 5 1 DGBF COc1cc(Cl)ccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587066658 PYVQUUOKPLQDJN-UHFFFAOYSA-N 304.693 3.195 5 1 DGBF COc1ccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(F)c1 587149355 RALOINDNMRJJAT-UHFFFAOYSA-N 319.267 3.349 5 1 DGBF COc1cnc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1Cl 587064778 GRILLHODTZEZFJ-UHFFFAOYSA-N 304.693 3.195 5 1 DGBF O=[N+]([O-])c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 25999076 LUSDMLFDKABULZ-UHFFFAOYSA-N 314.370 3.117 5 1 DGBF O=C(O)CCNC[C@@H](O)c1cc2ccccc2c2ccccc12 169338076 PRULHGWLHMKJHF-GOSISDBHSA-N 309.365 3.091 5 1 DGBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cnccc3[nH]2)c1 587268749 CWSJOKVCJPBDDW-UHFFFAOYSA-N 309.329 3.133 5 1 DGBF CC[C@H](C)Sc1nc(Cc2cccc([N+](=O)[O-])c2)cc(=O)[nH]1 13556457 MPHANATUQIGHMY-JTQLQIEISA-N 319.386 3.160 5 1 DGBF O=[N+]([O-])c1cccnc1NCc1nc2ccc3c(c2[nH]1)CCCC3 587269117 QEDCLNXZAMLEHK-UHFFFAOYSA-N 323.356 3.357 5 1 DGBF N=C(N)c1ccc2c(c1)[nH]c1c3cc(C(=N)N)ccc3sc21 27881321 QLCOQPJFOVSRHL-UHFFFAOYSA-N 307.382 3.104 5 1 DGBF O=[N+]([O-])c1ccc(CNc2ccc(Cl)cc2)c2nonc12 96931856 QMSKSWPJAZPIHJ-UHFFFAOYSA-N 304.693 3.397 5 1 DGBF O=[N+]([O-])c1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1F 586903491 PQBSNWHFEKFRNP-ZUZCIYMTSA-N 313.288 3.179 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586891051 RXJDLLRDUKYTJZ-DYVFJYSZSA-N 306.325 3.238 5 1 DGBF O=C(O)/C=C/C=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1 587968692 OAAZGUXBWSEXQF-FCXRPNKRSA-N 316.320 3.313 5 1 DGBF O=[N+]([O-])c1ccc(N2Cc3ccccc3OCC2=S)cc1 103204652 XFKRYXAXEUVKKC-UHFFFAOYSA-N 300.339 3.321 5 1 DGBF C[C@@H](CO)NCc1ccc2oc3ccc(Cl)cc3c(=O)c2c1 95589163 ZNIQTOARIRNGEN-JTQLQIEISA-N 317.772 3.070 5 1 DGBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C)nc3[nH]2)c1 587262124 NFVRBBIMZBZHAO-UHFFFAOYSA-N 312.329 3.104 5 1 DGBF C[C@H](O)N(C)CCn1c2ccccc2c2nc3ccccc3nc21 1772645969 CMAJMJYNUXKGGB-ZDUSSCGKSA-N 320.396 3.008 5 1 DGBF CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1/C=C/[N+](=O)[O-] 1857608581 WHLGNIFNCFMKBY-BQYQJAHWSA-N 313.737 3.308 5 1 DGBF Cc1cc2[nH]c(/C=C\C(=O)Nc3ccccc3)nc2cc1[N+](=O)[O-] 587244615 QFSYEYYLTRHLIA-FPLPWBNLSA-N 322.324 3.431 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc([N+](=O)[O-])c1)O2 587409101 GOTQHWTUOXBDRA-LBPRGKRZSA-N 304.327 3.253 5 1 DGBF CCOC(=O)c1c(-c2ccncc2)[nH]c2cc([N+](=O)[O-])ccc12 587649674 WYRWXIBGJQRRSI-UHFFFAOYSA-N 311.297 3.315 5 1 DGBF COc1c(F)ccc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1N 587132492 CCCJDULLDBIKMR-UHFFFAOYSA-N 316.292 3.176 5 1 DGBF Cc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)cccc1[N+](=O)[O-] 587261203 YKAABGIOQXEMNB-UHFFFAOYSA-N 311.297 3.218 5 1 DGBF Cc1c(-n2ncc3ccc(Cl)cc3c2=O)cccc1[N+](=O)[O-] 587653404 VIQJDGWWDLSPEB-UHFFFAOYSA-N 315.716 3.256 5 1 DGBF Cc1cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2O)on1 36185252 YIQJMHHKLNSGTF-UHFFFAOYSA-N 321.676 3.171 5 1 DGBF Cc1c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cccc1[N+](=O)[O-] 587262098 MVHPUJGCISJZMQ-UHFFFAOYSA-N 322.324 3.331 5 1 DGBF O=C(O)c1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587278994 COCXLZGISIBITF-UHFFFAOYSA-N 311.249 3.270 5 1 DGBF O=[N+]([O-])c1c(O)ccc(-c2cc3c4c(cccc4n2)CC3)c1O 587210738 FZUGUMDSDOVSEQ-UHFFFAOYSA-N 308.293 3.320 5 1 DGBF CCCn1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C)n1 587279899 STBBCBVLODHBNR-UHFFFAOYSA-N 313.313 3.487 5 1 DGBF Cc1ccc2c(c1)cc1c(=O)nc(-c3ccccc3)nc-1n2C 28642369 PLFZQQMKTBSOOK-UHFFFAOYSA-N 301.349 3.409 5 1 DGBF CC[C@H]1OCCC[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586912396 OLSDZYMTMNPMEI-ISVAXAHUSA-N 320.305 3.052 5 1 DGBF CNc1c2c3c(c4ccccc4nc3c3[nH]ccc(=O)c13)C=N2 14659435 WMYJEDLGCVKTLK-UHFFFAOYSA-N 300.321 3.335 5 1 DGBF biogenic Cc1cc2[nH]c([C@@H](C)n3cc(Cl)cn3)nc2cc1[N+](=O)[O-] 587082334 OOXCCLZKMQXRON-MRVPVSSYSA-N 305.725 3.239 5 1 DGBF Nc1ccnc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c12 587264495 GQOGEGUMRJNQFL-UHFFFAOYSA-N 321.296 3.375 5 1 DGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-n1cnc2ccccc2c1=O 587648338 CWTHETTXLVUHIT-UHFFFAOYSA-N 320.308 3.084 5 1 DGBF CCOC(=O)c1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12 587649064 OXLVKZQBZQMOIC-UHFFFAOYSA-N 311.297 3.315 5 1 DGBF CC[N@+]1(C)CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 299816421 YOHJVOJFKXCILN-BAGYTPMASA-N 324.444 3.244 5 1 DGBF COc1cc2ccn3c(C(C)C)nc4c(O)nc(c1OC)c2c43 299823269 UCZQFDCSVUSIPQ-UHFFFAOYSA-N 311.341 3.320 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1[N+](=O)[O-])O2 587382578 SJYWUQZOHSHMTG-AWEZNQCLSA-N 316.288 3.331 5 1 DGBF CCOc1ccccc1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 587780687 GBNAWYKQIUZVNE-UHFFFAOYSA-N 313.313 3.449 5 1 DGBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587952142 YZNGEWGLGBHPQB-UHFFFAOYSA-N 310.313 3.464 5 1 DGBF Cn1cc(C2=NCC3(C[C@H]4CC[C@H](C3)[N+]4(C)C)O2)c2ccccc21 100754776 ONBNRZJYWVTNHK-HUUCEWRRSA-N 324.448 3.095 5 1 DGBF CNc1nc2oc3ccc(C(C)C)cc3c(=O)c2cc1C(=O)O 27644764 HJZHYMVQUWCWOJ-UHFFFAOYSA-N 312.325 3.205 5 1 DGBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)cc(F)c2[nH]1 587275037 ZXBIDEQPLHIAGW-SSDOTTSWSA-N 323.715 3.264 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1[N+](=O)[O-])O2 587387052 ZGOUNWXXMONRGI-OAHLLOKOSA-N 316.288 3.331 5 1 DGBF COc1c(O)ccc2c1cc1c3c(cc4c(c32)OCO4)CCN1C 13410110 PMLLAVDHHRGJSW-UHFFFAOYSA-N 323.348 3.428 5 1 DGBF biogenic O=[N+]([O-])c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587017729 YJBIXXMWUXWKCK-LBPRGKRZSA-N 316.342 3.446 5 1 DGBF C[C@H](Sc1ncccn1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586963959 SFNLZTBSAMQYCU-QMMMGPOBSA-N 301.331 3.114 5 1 DGBF CN(C)CCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O 3805647 CWNBRNSIRVKSDC-UHFFFAOYSA-N 318.376 3.151 5 1 DGBF CC(C)[C@H](NCc1c2ccccc2[n+](C)c2ccccc12)C(=O)O 17193391 RCYZMFAJYRPHTH-IBGZPJMESA-O 323.416 3.016 5 1 DGBF C[n+]1c2ccccc2cc2[nH]c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3c21 40893499 JOQVYLSPQOSKCE-UHFFFAOYSA-O 323.288 3.115 5 1 DGBF CN(C)CCN1C(=O)c2cccc3c2c(cc2ccccc23)C1=O 26831308 YVKKSHOUZTWVNL-UHFFFAOYSA-N 318.376 3.151 5 1 DGBF C/C=C1/C[N+]2([O-])[C@H]3C[C@@H]1[C@H](CO)[C@@H]2Cc1c3[nH]c2ccccc12 238734810 YIAQKDVHYHAHKH-QQYFUVBLSA-N 310.397 3.037 5 1 DGBF O=[N+]([O-])c1cncc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587151804 IVJFUQZCWHIYIM-DTWKUNHWSA-N 316.267 3.415 5 1 DGBF COc1cc(-c2nc3ccccc3o2)c([N+](=O)[O-])cc1OC 71329326 NQZOWLPTNKZHIO-UHFFFAOYSA-N 300.270 3.420 5 1 DGBF O=[N+]([O-])c1cc2nc(C3(c4ccccc4O)CC3)[nH]c2cc1F 586896647 GYBQWKBJQBGKJV-UHFFFAOYSA-N 313.288 3.396 5 1 DGBF Nc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1N 587139045 CPMRNDWICZGTBJ-UHFFFAOYSA-N 321.699 3.095 5 1 DGBF C=CC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 587244796 UPFQTRWTXLMXEI-UHFFFAOYSA-N 308.297 3.263 5 1 DGBF CCc1cc2c3[nH]c4c([N+](=O)[O-])cccc4c3cc[n+]2nc1CC 26576810 MTZANPDFCOLZTE-UHFFFAOYSA-O 321.360 3.488 5 1 DGBF O=[N+]([O-])c1cncc2nc(CCc3ccccc3Cl)[nH]c12 587059369 QKHWSTXGPSCWKP-UHFFFAOYSA-N 302.721 3.305 5 1 DGBF O=[N+]([O-])C1=Cc2ccccc2O[C@H]1Nc1ccc([N+](=O)[O-])cc1 13737781 FPFQCCSUDWTACC-OAHLLOKOSA-N 313.269 3.043 5 1 DGBF O=[N+]([O-])c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587035898 WFKJMMKLPSMZDO-ZDUSSCGKSA-N 315.354 3.389 5 1 DGBF COc1c(F)cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1F 587134033 IPKSERXVWPDVQW-UHFFFAOYSA-N 305.240 3.425 5 1 DGBF Cc1nc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c(C)c1O 1857639440 TWLCYANFFNJUBT-UHFFFAOYSA-N 316.317 3.265 5 1 DGBF Cc1ccc(OCCOc2ccc(C)nc2[N+](=O)[O-])c(C)c1 66139465 BAWCICUTWLKNAE-UHFFFAOYSA-N 302.330 3.373 5 1 DGBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1F 586903489 PQBSNWHFEKFRNP-MEBBXXQBSA-N 313.288 3.179 5 1 DGBF N[C]1SC2=C(CCCC2)N1CC(=O)c1cccc([N+](=O)[O-])c1 2356855663 NRZBUCIRGVHYQV-UHFFFAOYSA-N 318.378 3.018 5 1 DGBF CCC(O)(CC)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 13581051 DKOYUUQGTGZTNQ-UHFFFAOYSA-N 320.267 3.103 5 1 DGBF CC1(C)CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C1 103275196 BNXBJLDRIRDDHB-UHFFFAOYSA-N 323.732 3.005 5 1 DGBF CCn1c2cc(Cl)c(N)cc2c(=O)c2c(O)cc(OC)cc21 26189779 VVUUXWMCUQPUFF-UHFFFAOYSA-N 318.760 3.124 5 1 DGBF CC[C@@H]1OCCC[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586912401 OLSDZYMTMNPMEI-SDBXPKJASA-N 320.305 3.052 5 1 DGBF O=[N+]([O-])c1cncc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587108507 SODFUHHUIZVREC-UHFFFAOYSA-N 322.246 3.476 5 1 DGBF Cc1cc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2cc1[N+](=O)[O-] 587177749 XNKNRQOXQVVTLQ-UHFFFAOYSA-N 311.276 3.462 5 1 DGBF Cc1ccc([C@@H]2CC(=O)C[C@H](c3ccccn3)[C@@H]2[N+](=O)[O-])cc1 45228594 SJKMEGHCFBDJPW-LZLYRXPVSA-N 310.353 3.266 5 1 DGBF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)C2 586883359 BHKZAJUDQTXQMY-LPEHRKFASA-N 315.304 3.249 5 1 DGBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587160474 TUGNZFNMXWGEDR-UHFFFAOYSA-N 301.233 3.006 5 1 DGBF COc1ccc2c(c1)C[C@@H](c1nc3cncc([N+](=O)[O-])c3[nH]1)CC2 587947376 WKROOABOQPDIJI-NSHDSACASA-N 324.340 3.147 5 1 DGBF O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(O)cc1 179938 XFICBMXCQDISGR-OAHLLOKOSA-N 316.338 3.079 5 3 DGBF CN1CCc2cc3c(c4c2c1cc1cc2c(cc14)OCO2)OCO3 14613040 ZTXGGRMVULLHNF-UHFFFAOYSA-N 321.332 3.443 5 1 DGBF biogenic,in-vitro O=C(O)COc1cc2oc3ccccc3c(=O)c2cc1Cl 26650410 NPIAZZURZMIEQW-UHFFFAOYSA-N 304.685 3.063 5 1 DGBF Cc1cnc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1 587269915 UCSSRRFAZHZLBM-UHFFFAOYSA-N 323.356 3.442 5 1 DGBF O=[N+]([O-])c1cncc2nc(CNc3ccccc3Cl)[nH]c12 587062285 QMOVTAZBFRCKCA-UHFFFAOYSA-N 303.709 3.132 5 1 DGBF Cc1nc(C2CC2)sc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587012110 OGFYVFXVRJHGKD-UHFFFAOYSA-N 301.331 3.175 5 1 DGBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 587388363 AAFCTYSKDDUNPU-BZNIZROVSA-N 306.362 3.137 5 1 DGBF O=C(O)/C=C/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1 587969495 ULBUZXLDSKVQFX-FACPPWRESA-N 316.320 3.313 5 1 DGBF COc1ccc2c(=O)c3cc4ccccc4cc3n(C)c2c1CO 40864683 VJWBBKYTGDGYOJ-UHFFFAOYSA-N 319.360 3.346 5 1 DGBF Cc1ccc(S(=O)(=O)n2ccc3cc([N+](=O)[O-])ccc32)cc1 49037467 LNSITYAYVOYMGC-UHFFFAOYSA-N 316.338 3.095 5 1 DGBF O=[N+]([O-])c1cncc2nc(/C=C\c3ccc(F)cc3F)[nH]c12 587150178 KYFHHSTZBXRGAY-RQOWECAXSA-N 302.240 3.315 5 1 DGBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Cl)cc2[nH]1 587276320 KMLMIIGVOKITCI-MRVPVSSYSA-N 305.725 3.125 5 1 DGBF C/C=C1/C[N+](C)([O-])C[C@@H]2CCc3c([nH]c4ccccc34)C(=O)[C@H]12 238739861 UBWSJWFNAQQRKW-IINXEOJQSA-N 310.397 3.434 5 1 DGBF N[C@@H](Cc1ccccc1Cl)c1nc2cccc([N+](=O)[O-])c2[nH]1 587058818 JLUGLUBMKLTYCC-NSHDSACASA-N 316.748 3.367 5 1 DGBF COc1cc2ncc3c(N)nc4cc(N)ccc4c3c2cc1OC 14969819 YSTGCOBGJRKKPX-UHFFFAOYSA-N 320.352 3.118 5 1 DGBF CCO[P@@](=O)(NC(C)C)Oc1cc(C)ccc1[N+](=O)[O-] 102082042 RBYXSQQUDIPCLF-FQEVSTJZSA-N 302.267 3.425 5 1 DGBF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587164581 WYDBBHGRWXETJC-OAHLLOKOSA-N 314.320 3.261 5 1 DGBF O=C(/C=C\c1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccccc1 587243542 FXJLXCMEMLVMKW-HJWRWDBZSA-N 308.297 3.123 5 1 DGBF COc1cc2oc3cccc(O)c3c(=O)c2c2c1[C@H]1C=CO[C@@H]1O2 2356333498 RTEGHDUCQBDALB-NTCNTBNZSA-N 324.288 3.006 5 1 DGBF CCO[P@](=O)(NC(C)C)Oc1ccc(C)cc1[N+](=O)[O-] 72126283 HTLVBSLYHGBZMW-HXUWFJFHSA-N 302.267 3.425 5 1 DGBF O=[N+]([O-])c1ccc(SCCc2ccccc2)c2nonc12 299827986 PQOOKVXULBWFTC-UHFFFAOYSA-N 301.327 3.466 5 1 DGBF COc1cccc2c1c(O)c1c3c(cc4c(c32)OCO4)C(=O)N1 14727086 GQILXXXNOYFEGQ-UHFFFAOYSA-N 309.277 3.002 5 1 DGBF biogenic O=[N+]([O-])c1ccc([C@@H]2N3CCCC[C@H]3[C@H]3CCCCN32)cc1 102922988 LRKQAQJZDSNPOL-FVQHAEBGSA-N 301.390 3.316 5 1 DGBF CCc1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 587268305 QDCQMOXBPMONSF-UHFFFAOYSA-N 313.361 3.402 5 1 DGBF Cc1oc(-c2nc3nc(Br)ccc3[nH]2)cc1[N+](=O)[O-] 587268601 GKIZWCLVDIKWSW-UHFFFAOYSA-N 323.106 3.197 5 1 DGBF CC(C)c1nc(=O)c2ccccc2n1-c1ccc([N+](=O)[O-])cc1 27642869 KOOSCLHBRZKGOI-UHFFFAOYSA-N 309.325 3.417 5 1 DGBF O=[N+]([O-])c1cccc(CCc2nc3ccc(Cl)nc3[nH]2)c1 587269761 GIBRLBQUDREUSR-UHFFFAOYSA-N 302.721 3.305 5 1 DGBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)c(F)cc2[nH]1 587266881 BURYAKZWUFZXIN-ZETCQYMHSA-N 323.715 3.378 5 1 DGBF COc1cc(OC)c2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2c1 587269685 YSRSDZLTMUBGGN-UHFFFAOYSA-N 303.274 3.057 5 1 DGBF O=C1c2ccoc2CC[C@@H]1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 586906706 GOQACMNTEXHCRG-SECBINFHSA-N 311.297 3.052 5 1 DGBF Cc1nn(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c(C)c1[N+](=O)[O-] 587647821 QSBRKGKCFFCJIC-UHFFFAOYSA-N 315.289 3.095 5 1 DGBF COc1nn(Cc2ccccc2F)c2ccc([N+](=O)[O-])cc12 1647169 ZKVBUVHEILDNMG-UHFFFAOYSA-N 301.277 3.141 5 1 DGBF COc1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587148905 MLPYOGBTFKRDPC-UHFFFAOYSA-N 317.276 3.198 5 1 DGBF Cc1cc(Cl)cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587277454 WHNHFTHXOPCOIZ-SECBINFHSA-N 319.752 3.433 5 1 DGBF COc1cccc(CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587929964 BGLKVMRHRDUZMP-UHFFFAOYSA-N 315.304 3.404 5 1 DGBF CCSCCNc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 82161697 BIHIAFVWNPWSLZ-UHFFFAOYSA-N 304.375 3.217 5 1 DGBF COc1cc2cc3c(c(OC)c2c2oc(C)cc(=O)c12)C(=O)CC3 2356284045 LTFWQFSRVBYQDR-UHFFFAOYSA-N 324.332 3.401 5 1 DGBF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1[N+](=O)[O-])CC2=O 587470522 KRICURXWMBKQOU-WBVHZDCISA-N 319.357 3.268 5 1 DGBF COc1ccc2c(=O)c3ccc(Cn4ccnc4)cc3oc2c1 1857646150 TXDNLXJMJCSWPY-UHFFFAOYSA-N 306.321 3.200 5 1 DGBF O=[N+]([O-])c1ccc(-c2noc(C(F)(F)F)c2[N+](=O)[O-])cc1 13589605 RNWQBJQWEXKUIX-UHFFFAOYSA-N 303.152 3.177 5 1 DGBF Cc1c(O)c(Br)c2oc3ccccc3c(=O)c2c1O 28394837 NUWLQFSHRGFFRC-UHFFFAOYSA-N 321.126 3.428 5 1 DGBF Cc1cncc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 587268724 CGUQKSPTECHRCJ-UHFFFAOYSA-N 323.356 3.442 5 1 DGBF O=[N+]([O-])c1ccn(CCCc2nc3cc4ccccc4cc3[nH]2)n1 587274357 UAOPMVBDSYCKOX-UHFFFAOYSA-N 321.340 3.454 5 1 DGBF Cc1ccc(COc2nc(C)c(C)n3cc([N+](=O)[O-])nc23)cc1 1857556380 OMBZVJBKNOEOFT-UHFFFAOYSA-N 312.329 3.142 5 1 DGBF O=[N+]([O-])c1cccc(CCc2nc3ccnc(Cl)c3[nH]2)c1 587270377 NELWMYYQOGBVAL-UHFFFAOYSA-N 302.721 3.305 5 1 DGBF COc1c(CO)c2c3c(cc4ccccc4c3c1OC)NC2=O 13372586 MSBPHODHFHPMOB-UHFFFAOYSA-N 309.321 3.068 5 1 DGBF biogenic Cc1ccc([C@H]2CC(=O)C[C@H](c3ccccn3)[C@@H]2[N+](=O)[O-])cc1 45228597 SJKMEGHCFBDJPW-JFIYKMOQSA-N 310.353 3.266 5 1 DGBF CC[N@+]1(C)CC[C@@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 299816422 YOHJVOJFKXCILN-CEMLEFRQSA-N 324.444 3.244 5 1 DGBF O=c1[nH]c2cc3ccccc3cc2c(=O)n1-c1ccc(Cl)cc1 84652555 GCSGFHQKTKFJFS-UHFFFAOYSA-N 322.751 3.486 5 1 DGBF Cc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Cl 587274109 SPVQFUPQGJXFTQ-UHFFFAOYSA-N 319.752 3.262 5 1 DGBF Cc1cc(Cl)cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c12 587277544 YAPMHXMLTTZSMR-MRVPVSSYSA-N 305.725 3.239 5 1 DGBF O=c1[nH]c2c(nc3ccc(Br)cn32)c2ccccc12 45349986 OPTGOUFKZKDZIP-UHFFFAOYSA-N 314.142 3.092 5 1 DGBF C[C@@H](c1nc2cc(Cl)cc(F)c2[nH]1)n1cc([N+](=O)[O-])cn1 587275705 FYANDOVSRFQKBS-LURJTMIESA-N 309.688 3.069 5 1 DGBF O=[N+]([O-])c1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1F 586895674 SQUGIBOQOINUEV-UHFFFAOYSA-N 319.336 3.195 5 1 DGBF O=[N+]([O-])c1ccc2c(CCO)c(-c3ccc(F)cc3)[nH]c2c1 587645835 LNLYLJPFJVTSFZ-UHFFFAOYSA-N 300.289 3.417 5 1 DGBF Oc1nc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cs1 587017236 JSUOQGYYDXILTQ-UHFFFAOYSA-N 319.349 3.488 5 1 DGBF O=[N+]([O-])c1cccnc1NCc1nc2ccc3ncccc3c2[nH]1 587269718 ZOCSCHVUQJNSOV-UHFFFAOYSA-N 320.312 3.026 5 1 DGBF Cc1cc(F)c2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc2c1 587270043 IOLKVSOOQAYIQA-ZDUSSCGKSA-N 314.320 3.161 5 1 DGBF COc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1F 587160399 QSMZSLYGPGPUET-UHFFFAOYSA-N 305.240 3.425 5 1 DGBF CCOC(=O)c1cnc2sc3ccc4ccccc4c3n2c1=O 1622599 JRKWFLJZWMARMT-UHFFFAOYSA-N 324.361 3.239 5 1 DGBF CC(=O)N[C@@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 72114142 BTZUEIBGAWSRRX-INIZCTEOSA-N 312.325 3.045 5 1 DGBF Cc1c(F)ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587267541 MNFROLZARUIYQJ-VIFPVBQESA-N 303.297 3.033 5 1 DGBF COc1ccccc1Cn1nc(OC)c2cc([N+](=O)[O-])ccc21 1647170 YXSOAIBTQVDWGA-UHFFFAOYSA-N 313.313 3.010 5 1 DGBF Nc1ncc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587267947 JQHBDXKEUROESW-UHFFFAOYSA-N 323.234 3.134 5 1 DGBF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 586906714 GSZKLOOZBYLOIT-VIFPVBQESA-N 311.297 3.052 5 1 DGBF Cn1cc(-c2noc(C3CC[N+](C)(C)CC3)n2)c2ccccc21 12017 NQGAQWIXIMYYMU-UHFFFAOYSA-N 311.409 3.182 5 1 DGBF CCO[P@](=O)(NC(C)C)Oc1cc(C)ccc1[N+](=O)[O-] 5862512 RBYXSQQUDIPCLF-HXUWFJFHSA-N 302.267 3.425 5 1 DGBF C[C@@H]1CC[C@@H](C)N(c2cc(=O)n3ccc4ccccc4c3n2)C1 13608168 XYIMDEUMYCPVNQ-ZIAGYGMSSA-N 307.397 3.473 5 1 DGBF COc1cc(OCc2nc3ccc(F)cc3[nH]2)ccc1[N+](=O)[O-] 587262939 JGMAKMVFYJDGHZ-UHFFFAOYSA-N 317.276 3.198 5 1 DGBF COc1ccc2c(c1)C[C@H](c1nc3cncc([N+](=O)[O-])c3[nH]1)CC2 587947374 WKROOABOQPDIJI-LLVKDONJSA-N 324.340 3.147 5 1 DGBF COc1cc2oc3c4ccc(O)cc4oc(=O)c3c2cc1OC 14778693 PKLPURDVDNBFCI-UHFFFAOYSA-N 312.277 3.415 5 1 DGBF endogenous,in-man Cc1c(O)ccc2c1c(=O)oc1c(Br)c(O)ccc12 28571230 CLQCURFLKGOFJG-UHFFFAOYSA-N 321.126 3.428 5 1 DGBF O=[N+]([O-])c1ccc(C=Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 2356833309 JZKCYSOYDHMFHQ-UHFFFAOYSA-N 314.253 3.402 5 1 DGBF N=c1cc[nH]cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587249130 HNGUIWFQWVXCEH-UHFFFAOYSA-N 312.336 3.134 5 1 DGBF Nc1c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc2ccccc12 587253501 LBMUZPMPPNQNMX-UHFFFAOYSA-N 305.297 3.269 5 1 DGBF O[C@H]1c2ccc3c4c5c(cccc5cc3c2[C@@H]2O[C@@H]2[C@@H]1O)C=C4 6094510 OZOQTNHPJBUEGC-ZGXWSNOMSA-N 302.329 3.325 5 1 DGBF O=c1cc(-c2ccccc2[N+](=O)[O-])oc2ccc([N+](=O)[O-])cc12 28765829 NNYOFWKRENXUCW-UHFFFAOYSA-N 312.237 3.276 5 1 DGBF Cc1c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)oc2c1[C@H](O)CCC2 586903692 NJOUSRUFXWXPRU-GFCCVEGCSA-N 313.313 3.409 5 1 DGBF COc1ccc2cc([C@H](C)C(=O)OCC[N+](C)(C)C)ccc2c1 49071869 QNTUFHBBYCWTNV-AWEZNQCLSA-N 316.421 3.201 5 1 DGBF O=[N+]([O-])c1cc([C@H]2NCCc3cc(O)ccc32)ccc1Cl 2356820230 VORMTUHYXARKLF-OAHLLOKOSA-N 304.733 3.189 5 1 DGBF O=c1c2ccccc2oc2cccc(NCCN3CCCC3)c12 28528123 IICREZKSFIAOGT-UHFFFAOYSA-N 308.381 3.454 5 1 DGBF Nc1ccc2c(ccc3nc4ncc(Br)cc4n32)c1 72142287 JXSNKLSNPKSBCQ-UHFFFAOYSA-N 313.158 3.380 5 1 DGBF O=[N+]([O-])c1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1O 95583773 OCDHFFDXJASOHU-UHFFFAOYSA-N 302.374 3.359 5 1 DGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1OC(=O)c1ccccc1N 587648073 ZWVJIFUAQHBQBA-UHFFFAOYSA-N 311.297 3.186 5 1 DGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N1CCCCCC1 587649495 VZOKHJGZMAGJBI-UHFFFAOYSA-N 301.346 3.401 5 1 DGBF Cc1nc2ccccc2c2ncn(CCc3ccccc3)c(=O)c12 73197540 FSZKNZGTRQVNDU-UHFFFAOYSA-N 315.376 3.496 5 1 DGBF Cc1c(Cl)ccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c12 587277208 QQEBPGGSTRHHJY-MRVPVSSYSA-N 305.725 3.239 5 1 DGBF O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1coc2ccccc12 587280608 MTOUXNAONPWQFV-UHFFFAOYSA-N 312.237 3.480 5 1 DGBF CC(C)[C@H](N=c1c2ccccc2n(C)c2ccccc12)C(=O)O 377841332 VAEBVIDMICBYEA-KRWDZBQOSA-N 308.381 3.341 5 1 DGBF O=[N+]([O-])c1cnc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 587083917 CIMWSRGJNSARSH-UHFFFAOYSA-N 310.100 3.235 5 1 DGBF COc1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2n1 587139294 GCYJFPTXRUIEPU-UHFFFAOYSA-N 322.683 3.334 5 1 DGBF Cc1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587148551 KCMNPKHGFKDTLV-UHFFFAOYSA-N 301.277 3.498 5 1 DGBF CC1(C)CC(=[N+]2CCCC2)C=CN1Cc1ccc([N+](=O)[O-])cc1 1857537208 CTKYUOZPANGION-UHFFFAOYSA-N 314.409 3.340 5 1 DGBF O=[N+]([O-])c1c2c(cc3c1ccc1ccccc13)C=C[C@H](O)[C@H]2O 27886535 LREBZIARNANHNE-MAUKXSAKSA-N 307.305 3.322 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](Cc1ccc([N+](=O)[O-])cc1)O2 587390926 SKLONVOBZKGXHL-ZDUSSCGKSA-N 312.325 3.062 5 1 DGBF COC(=O)N(COc1ccc([N+](=O)[O-])cc1)c1ccccc1 40762470 RQIXVQCKUUWXSY-UHFFFAOYSA-N 302.286 3.204 5 1 DGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1CNC(=O)OC(C)(C)C 587647083 OZKRFPQDSKSOAP-UHFFFAOYSA-N 305.334 3.409 5 1 DGBF O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2)n2ccnc2)cc1 27425069 YDEDTTNPPLIECO-UHFFFAOYSA-N 324.296 3.337 5 1 DGBF O=C(/C=C/OC1=CC=C1)Nc1nc2ccc([N+](=O)[O-])cc2s1 45290167 LNMJXECWXZQPGX-VOTSOKGWSA-N 315.310 3.127 5 1 DGBF O=c1ccc([N+](=O)[O-])c[c-]1[C@H]1C[C@@H](c2ccccc2F)N=N1 169691658 NCDAFPQWLWYRBV-UONOGXRCSA-N 300.269 3.451 5 1 DGBF Cc1c(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cccc1[N+](=O)[O-] 101987969 QWBNFGIYGCHIFV-KYEXWDHISA-N 302.374 3.458 5 1 DGBF O=[N+]([O-])c1cc2nc(COc3ccc(F)cc3)[nH]c2cc1F 587169447 WLNKCMJRYSCXLZ-UHFFFAOYSA-N 305.240 3.328 5 1 DGBF CN1C(=O)c2c(c3c4cc(O)ccc4[nH]c3c3ccccc23)C1=O 13679823 DIWDCGUMOQYNMI-UHFFFAOYSA-N 316.316 3.406 5 1 DGBF Nc1ncc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587268333 RQYWFNYZOJPRDF-UHFFFAOYSA-N 323.234 3.134 5 1 DGBF O=[N+]([O-])c1ccccc1O[C@H]1CCCC[C@@H]1Cn1ccnc1 40861467 DHUBNSRCSFPUCU-HIFRSBDPSA-N 301.346 3.429 5 1 DGBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(CCO)c12 587646287 ZHHVKPQKKCYGGK-UHFFFAOYSA-N 300.289 3.417 5 1 DGBF O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2cccc(O)c2n1 474609487 QKOYRJCBZJDFRY-UHFFFAOYSA-N 309.281 3.101 5 1 DGBF O=[N+]([O-])c1cccc(-c2cc([C@@H]3C[C@H]4CC[C@H]3N4)cnc2F)c1 261114291 IMNMXRIDDYENFD-IVMMDQJWSA-N 313.332 3.404 5 1 DGBF in-vitro COc1cc(C)c2c(=O)c3c(O)c(Cl)c(O)cc3oc2c1 13386756 VZYXHXRKFKLWJI-UHFFFAOYSA-N 306.701 3.328 5 1 DGBF biogenic O=C(O)c1c[nH]c2sccc2/c1=N\c1ccc([N+](=O)[O-])cc1 40835165 MVCLOFTWEKAXFD-UHFFFAOYSA-N 315.310 3.068 5 1 DGBF Cc1nc([N+](=O)[O-])cn1C[C@@H](O)c1ccc(Cl)cc1Cl 66076674 CUKMKTSSFDLUTL-LLVKDONJSA-N 316.144 3.140 5 1 DGBF O=[N+]([O-])c1cncc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174793 LOKIGSYKEBTGMI-UHFFFAOYSA-N 311.276 3.077 5 1 DGBF COC(=O)c1cccc2nc3cccc(/C=C/C(C)(C)O)c3nc12 1772579358 OBWLUSREIWTYNK-ZHACJKMWSA-N 322.364 3.354 5 1 DGBF O=C1C[C@@]2(CCCC[C@@H]2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587513451 SREBNXQFZKRDIF-FUHWJXTLSA-N 315.369 3.489 5 1 DGBF COc1ccc2c(c1)cc1c(=O)nc(-c3ccccc3)nc-1n2C 28642509 ALBCCHWQPQDIBL-UHFFFAOYSA-N 317.348 3.109 5 1 DGBF O=[N+]([O-])c1ccc(-c2cc([C@H]3C[C@@H]4CC[C@@H]3N4)cnc2F)cc1 100009838 VYBKMQYOOUBJRG-BJJXKVORSA-N 313.332 3.404 5 1 DGBF O=[N+]([O-])c1cc2nc(-c3cccc(CO)c3)[nH]c2cc1Cl 586894872 FSAGBOLPNCBCHD-UHFFFAOYSA-N 303.705 3.284 5 1 DGBF O=C(c1ccc2nonc2c1)c1coc2cc([N+](=O)[O-])ccc12 587279381 HXNHANMDCACPNQ-UHFFFAOYSA-N 309.237 3.108 5 1 DGBF Cc1cc2[nH]c([C@H](C)Sc3ncccn3)nc2cc1[N+](=O)[O-] 586963752 OLOONOUERGSGMQ-VIFPVBQESA-N 315.358 3.423 5 1 DGBF CC(C)(O)C=Cc1cccc2nc3cccc(C(=O)O)c3nc12 2356442726 NJZPIKQNYWPUTK-UHFFFAOYSA-N 308.337 3.265 5 1 DGBF O=c1cc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)oc2ccccc12 26166900 RVMWEPCHMGKNQV-UHFFFAOYSA-N 312.237 3.276 5 1 DGBF CCCCC/C=C\C=C\C(=O)O[C@@H](CCC(=O)O)[N+](C)(C)C 85589975 GDMITEPIMYKPHX-USKNYQQNSA-O 312.430 3.119 5 1 DGBF endogenous,in-man C[C@H](c1ccc(N(C)C)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587196065 PWPMFZIWDPRIFJ-SNVBAGLBSA-N 311.345 3.084 5 1 DGBF Nc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc2n1 587254262 QJPCEUCZVJGKEM-UHFFFAOYSA-N 305.297 3.269 5 1 DGBF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587929866 ALGTYXAHMYMNFF-SJKOYZFVSA-N 324.340 3.320 5 1 DGBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c([N+](=O)[O-])cccc12 13738748 YQEVGXPSOFPGJF-UHFFFAOYSA-N 312.237 3.276 5 1 DGBF CCOC(=O)COc1cccc2c1ccc1c(C)cc(=O)oc12 49784231 MQGWYEOYNLVLBK-UHFFFAOYSA-N 312.321 3.197 5 1 DGBF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587964147 ZBKXKWCESGSKIE-JGVFFNPUSA-N 307.737 3.282 5 1 DGBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)cc(F)c2[nH]1 587267642 OCCKPADDRDZLGQ-SSDOTTSWSA-N 323.715 3.378 5 1 DGBF CCOC(=O)C(C)(C)Oc1ccc(Cl)c(/C=C/[N+](=O)[O-])c1 1857613350 PAJVAZDCAOOVIW-BQYQJAHWSA-N 313.737 3.308 5 1 DGBF O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1Nc1ccc([N+](=O)[O-])cc1 13737780 FPFQCCSUDWTACC-HNNXBMFYSA-N 313.269 3.043 5 1 DGBF CCO[P@](=O)(NC(C)C)Oc1cc([N+](=O)[O-])ccc1C 72124295 RDOASNZVDYWCPP-HXUWFJFHSA-N 302.267 3.425 5 1 DGBF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)C2 586883356 BHKZAJUDQTXQMY-GUBZILKMSA-N 315.304 3.249 5 1 DGBF O=[N+]([O-])c1cccc(CCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587269774 GOJUGEZEBAQQKP-UHFFFAOYSA-N 312.285 3.165 5 1 DGBF O=[N+]([O-])c1ccc(NC(=S)OCCc2ccccc2O)cc1 40892000 SYXMDHNBWBJXJX-UHFFFAOYSA-N 318.354 3.257 5 1 DGBF Nc1ccnc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587048396 VQIXIJHFWCKNHT-RQOWECAXSA-N 315.720 3.272 5 1 DGBF CCc1ccc2nc3c(C(=O)NCCN(C)C)cccc3cc2c1 29558473 MOICDZAGYFKKOB-UHFFFAOYSA-N 321.424 3.242 5 1 DGBF O=C(O)c1cnn(-c2cccc([N+](=O)[O-])c2)c1-c1ccccc1 169312888 UBFLMOIVAZCCEO-UHFFFAOYSA-N 309.281 3.146 5 1 DGBF O=c1cc(N2CCC[C@@H](CO)C2)oc2c1ccc1ccccc12 13608102 ABBPHLNNPGUYRC-CYBMUJFWSA-N 309.365 3.155 5 1 DGBF C[C@H]1CC[C@H](C)N(c2cc(=O)n3ccc4ccccc4c3n2)C1 13608175 XYIMDEUMYCPVNQ-KBPBESRZSA-N 307.397 3.473 5 1 DGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N1CCCC[C@H]1C 587649142 RDVPSHAKPIIMJA-SNVBAGLBSA-N 301.346 3.399 5 1 DGBF Cc1cc(=O)oc2c1c(C)nn2-c1cc(Cl)ccc1[N+](=O)[O-] 122817 ITJMWKPQNPOENZ-UHFFFAOYSA-N 319.704 3.157 5 1 DGBF O=[N+]([O-])c1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 34802262 YDLRQTYCCOPFRW-UHFFFAOYSA-N 317.393 3.217 5 1 DGBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccnc(O)c3[nH]2)c1F 587139869 QRYLAKTUEICDPQ-UHFFFAOYSA-N 308.656 3.031 5 1 DGBF COc1cc(C)ccc1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 587565125 XEWCGMHKNPBAFR-UHFFFAOYSA-N 313.313 3.367 5 1 DGBF C[C@H](c1ccc2c(=O)c3c(O)cccc3oc2c1O)[C@@H](C)CO 2356596301 IMTSYQUHLSDENH-UWVGGRQHSA-N 314.337 3.089 5 1 DGBF Cc1cc2[nH]c([C@@H](C)Sc3ncccn3)nc2cc1[N+](=O)[O-] 586963750 OLOONOUERGSGMQ-SECBINFHSA-N 315.358 3.423 5 1 DGBF O=C(O)c1cnc2c(Cl)c(Cl)c3ncccc3c2c1O 28713562 VOBCDINOPGDEGZ-UHFFFAOYSA-N 309.108 3.494 5 1 DGBF COc1cc2oc3cccc(O)c3c(=O)c2c2c1[C@H]1C=CO[C@H]1O2 2356333497 RTEGHDUCQBDALB-CVJBHZAOSA-N 324.288 3.006 5 1 DGBF Cc1cccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)n1 587647361 WXZSYKDOYXLEQF-UHFFFAOYSA-N 310.313 3.340 5 1 DGBF CC(=O)O[C@@H]1C[C@@H]2C[C@@H](C)C[C@@]34[C@@H]1CCC[N+]3([O-])CCC[C@H]24 141026143 AZBZYJLLVPEDIK-STYYKKJPSA-N 307.434 3.241 5 1 DGBF C/C=C1/C[N@@+](C)([O-])C[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 299806702 MADJEOFPDOQBHE-DFMZXIGMSA-N 310.397 3.434 5 1 DGBF Cc1ccc([C@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 586886202 DYTVYWYHTBJDBT-HZMBPMFUSA-N 312.329 3.012 5 1 DGBF OCCNCCNCc1ccc2ccc3cccc4ccc1c2c34 26481765 WULZUOVEXVJZBU-UHFFFAOYSA-N 318.420 3.256 5 1 DGBF C[C@H]([C@H]1COC(c2ccccc2)(c2ccccc2)O1)[N+](C)(C)C 42988767 WTEHQRIXJACFHE-VQIMIIECSA-N 312.433 3.398 5 1 DGBF COc1cc2cc3cc(C)oc(=O)c3c(OC)c2c(O)c1C 14593770 GWGSQIYXPWREGY-UHFFFAOYSA-N 300.310 3.286 5 1 DGBF biogenic O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587152581 QKMJUMPSGMLCRB-VHSXEESVSA-N 316.267 3.415 5 1 DGBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc3ccccc3cc2[nH]1 587274154 NBPWIYGOKJQLGE-UHFFFAOYSA-N 307.313 3.178 5 1 DGBF O=c1[nH]ccc2nc(NCc3ccccn3)c3ccc(F)cc3c12 64573011 NKVMMNLSDVEDCO-UHFFFAOYSA-N 320.327 3.223 5 1 DGBF O=[N+]([O-])c1cccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587035422 PWLWTWAULRWBAG-LBPRGKRZSA-N 315.354 3.389 5 1 DGBF O=C(O)c1ccc2c(c1)nc(-c1cccc(O)c1)c1ncncc12 73223824 VVZPGWDSJQFRRX-UHFFFAOYSA-N 317.304 3.249 5 1 DGBF C[C@H](Sc1ncccn1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586962107 OJFVFDCYACZKBX-ZETCQYMHSA-N 319.321 3.254 5 1 DGBF O=c1c2cc3ccccc3cc2[nH]c(=S)n1C[C@@H]1CCCO1 425072 VEWHJSDKFJSOIH-ZDUSSCGKSA-N 312.394 3.391 5 1 DGBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(F)c(F)cc2[nH]1 587159494 PIEHYNYELYRKSC-UHFFFAOYSA-N 323.230 3.467 5 1 DGBF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587164580 WYDBBHGRWXETJC-HNNXBMFYSA-N 314.320 3.261 5 1 DGBF Nc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c2ccccc2c1 587252251 UROKEUFMQYMBKA-UHFFFAOYSA-N 305.297 3.269 5 1 DGBF COc1ccc2c(c1)nc(N)c1c3cc(OC)c(OC)cc3cn21 299855785 BOLIQLNPFPACMJ-UHFFFAOYSA-N 323.352 3.249 5 1 DGBF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587149387 GRXPOLJAPWQKCK-SSDOTTSWSA-N 320.255 3.284 5 1 DGBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(Cl)nc2[nH]1 587159803 ZLHCSMIYBMJFMW-UHFFFAOYSA-N 322.683 3.238 5 1 DGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)NCCc1ccccc1 587646453 APSXJUVTQMBJDB-UHFFFAOYSA-N 323.352 3.357 5 1 DGBF O=[N+]([O-])c1c(O)oc2ccccc2/c1=N/CCc1ccccc1 101639603 ORXQZJMQACSAKN-SDXDJHTJSA-N 310.309 3.190 5 1 DGBF COc1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587158324 CELHTIAYRNJEBU-UHFFFAOYSA-N 317.276 3.198 5 1 DGBF O=C1c2ccccc2-c2cnc(-c3cccc([N+](=O)[O-])c3)nc21 14970125 TXKNLEVQBOYSNF-UHFFFAOYSA-N 303.277 3.263 5 1 DGBF COc1cc(O)cc2c1ccc1c(C(=O)O)cc3c(c12)OCO3 14589623 ZDBKDCLMEKCQLS-UHFFFAOYSA-N 312.277 3.134 5 1 DGBF biogenic O=[N+]([O-])c1ccn([C@@H]2CCCc3c2nc2cccc4c2c3CC4)n1 587211032 KESZSKRGNJQDQO-OAHLLOKOSA-N 320.352 3.364 5 1 DGBF CC[N@+]1(C)CC[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 299816423 YOHJVOJFKXCILN-ILWGZMRPSA-N 324.444 3.244 5 1 DGBF COc1ccnc2c1-c1nc3ccccc3c3ccnc(c13)C2=O 26685 VTOZDHWZSJJCRE-UHFFFAOYSA-N 313.316 3.398 5 1 DGBF CCCc1sc(N)nc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587013690 WYFQBAUBBGVHOM-UHFFFAOYSA-N 317.374 3.438 5 1 DGBF Cn1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 587115605 RIIXCNARLNUGLQ-UHFFFAOYSA-N 310.235 3.495 5 1 DGBF Cc1cc(C)c2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc2c1 587268176 MWQFWDIOYXXJMK-UHFFFAOYSA-N 313.361 3.456 5 1 DGBF CC[C@@]1(CC[C@H](C)[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 587388364 AAFCTYSKDDUNPU-MEDUHNTESA-N 306.362 3.137 5 1 DGBF COc1ccc2c(c1)NC(=O)Cc1c-2[nH]c2ccc([N+](=O)[O-])cc12 13532119 SKGANWVAQNEQFN-UHFFFAOYSA-N 323.308 3.246 5 1 DGBF COc1nccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 587139849 PYTOFNLPFFTVML-UHFFFAOYSA-N 322.683 3.334 5 1 DGBF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cccc([N+](=O)[O-])c4[nH]1)(C3)C2 587969340 MXZBUJSSOUTZLH-FYBJUZMNSA-N 311.341 3.118 5 1 DGBF CCC[C@@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 13581055 LFGMQWOUBQPIKC-GFCCVEGCSA-N 320.267 3.103 5 1 DGBF O=[N+]([O-])c1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1F 587031774 LZZRTHHGROHFKW-UHFFFAOYSA-N 319.317 3.411 5 1 DGBF CC(=O)Nc1cccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587242516 OGAZMWDREPZOHV-UHFFFAOYSA-N 310.313 3.020 5 1 DGBF Cc1ccc(OCc2cn(Cc3cccc([N+](=O)[O-])c3)nn2)cc1 653811129 RWNHNICVQLIVRH-UHFFFAOYSA-N 324.340 3.122 5 1 DGBF Nc1c(F)c(F)cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1F 587136479 ISYYJQQUPQNMQZ-UHFFFAOYSA-N 308.219 3.138 5 1 DGBF O=[N+]([O-])C1=Cc2ccccc2O[C@H]1Nc1ccccc1[N+](=O)[O-] 13737777 KZGLHASQOPDJMT-OAHLLOKOSA-N 313.269 3.043 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])s1)O2 587408921 FKFYAGPOIDZTLS-LLVKDONJSA-N 304.327 3.253 5 1 DGBF CCOc1ccc(C(=O)CN2[CH]C=CC=C2C)cc1[N+](=O)[O-] 2356868007 KKJSGWUHTSSYPS-UHFFFAOYSA-N 301.322 3.114 5 1 DGBF COc1cccc2c1cc1c3c(c(O)c4c(c32)OCO4)C(=O)N1 14727100 DJOIWTFQCYKTAT-UHFFFAOYSA-N 309.277 3.002 5 1 DGBF biogenic O=C1CCCc2c1c1ccccc1n1c(=O)c3ccccc3n21 1911571564 VLSVATQZYUWMAV-UHFFFAOYSA-N 302.333 3.224 5 1 DGBF O=[N+]([O-])c1ccc(NC(=S)c2ccc([N+](=O)[O-])cc2)cc1 40394342 JDUJMWQEWKVHRX-UHFFFAOYSA-N 303.299 3.291 5 1 DGBF O=c1[nH]c2ccc(C3=NCCN3)cc2c2c1sc1ccccc12 84687620 DIAGKYKDQVCSOV-UHFFFAOYSA-N 319.389 3.246 5 1 DGBF CCCN[P@](=O)(OCC)Oc1ccc(C)cc1[N+](=O)[O-] 72124440 PIQXGUBIUGMIPX-FQEVSTJZSA-N 302.267 3.426 5 1 DGBF COc1cc(C)ccc1OCc1nc2cccc([N+](=O)[O-])c2[nH]1 587564394 KSWBRIVOQWQDGG-UHFFFAOYSA-N 313.313 3.367 5 1 DGBF O=c1ccc2c3c(cc[n+]2Cc2ccccc2)c2ccccc2n13 653794482 CNVPFNHFWBEULF-UHFFFAOYSA-N 311.364 3.380 5 1 DGBF O=[N+]([O-])c1ccc(-c2c[nH]c(SCCc3c[nH]cn3)n2)cc1 13764175 IYUGRGJBWRTAMV-UHFFFAOYSA-N 315.358 3.043 5 1 DGBF C[C@H]1Oc2cc(O)c3c(=O)c4cccc(O)c4oc3c2C1(C)C 14636691 SPSZQWKBQUMDPB-MRVPVSSYSA-N 312.321 3.416 5 1 DGBF biogenic,in-vitro COc1ccc2c(ccc3cc(O)c(OC)c(OC)c32)c1O 28971854 QRWFGIYPPNJHCO-UHFFFAOYSA-N 300.310 3.430 5 1 DGBF biogenic,in-vitro CCn1c2nc3ccc(OC)cc3c-2c(C)c2c(=O)[nH]ccc21 379420239 GAFXUWQCBLMTQM-UHFFFAOYSA-N 307.353 3.320 5 1 DGBF Cc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(F)c1 587146444 MGPKHWLACYSTCW-UHFFFAOYSA-N 316.248 3.494 5 1 DGBF CCOC(=O)c1cc(-c2ccc(Cl)cc2)c([N+](=O)[O-])n1C 1638639 QVGUWKMDAAAPFF-UHFFFAOYSA-N 308.721 3.430 5 1 DGBF COc1ccc([C@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1 5955878 JRKDJDBATCWDAD-MRXNPFEDSA-N 313.309 3.455 5 1 DGBF O=[N+]([O-])c1ccc(C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 28236529 OKILAXUENZZTKR-SJORKVTESA-N 304.390 3.078 5 1 DGBF CCO[P@](=O)(NC(C)C)Oc1cccc([N+](=O)[O-])c1C 72123612 UIDPUCNXXLCRMK-HXUWFJFHSA-N 302.267 3.425 5 1 DGBF O=C1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)N1 103162008 NYILIAZJUHCJIQ-AWEZNQCLSA-N 313.288 3.378 5 1 DGBF Cc1cc2[nH]c(Cc3cc(N)ccc3F)nc2cc1[N+](=O)[O-] 587142170 MFZFGVSSLMIDIU-UHFFFAOYSA-N 300.293 3.092 5 1 DGBF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587929864 ALGTYXAHMYMNFF-PXAZEXFGSA-N 324.340 3.320 5 1 DGBF Cc1c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)oc2c1[C@@H](O)CCC2 586903701 NJOUSRUFXWXPRU-LBPRGKRZSA-N 313.313 3.409 5 1 DGBF O=[N+]([O-])c1ccc2nc(-c3ccc(C4=NCCN4)cc3)sc2c1 45357621 CVEPNDSSTCWJQM-UHFFFAOYSA-N 324.365 3.221 5 1 DGBF Cc1nc(SCC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])[nH]1 6694155 OEZAEZWHSAVPSH-UHFFFAOYSA-N 311.750 3.255 5 3 DGBF COc1cc2c3c(c1)O[C@H](c1csc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587454452 ZFQDMHJYSUGNTP-ZUZCIYMTSA-N 317.322 3.154 5 1 DGBF O=c1c2ccccc2c2nc3ccccn3c2n1Cc1ccco1 103232318 FHEISMFXPQCHQA-UHFFFAOYSA-N 315.332 3.444 5 1 DGBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 587388365 AAFCTYSKDDUNPU-ZBEGNZNMSA-N 306.362 3.137 5 1 DGBF O=C(O)c1ccc(-c2cc3cccc([N+](=O)[O-])c3nc2O)cc1 1857595784 UIOUAFQRENTAPQ-UHFFFAOYSA-N 310.265 3.214 5 1 DGBF CN(C)CCNc1nc2ccccc2c2nc3ccccc3nc12 1772571524 ZLOCQIMHVPMQBX-UHFFFAOYSA-N 317.396 3.305 5 1 DGBF O=c1cc(N2CCC[C@H](CO)C2)oc2c1ccc1ccccc12 13608104 ABBPHLNNPGUYRC-ZDUSSCGKSA-N 309.365 3.155 5 1 DGBF Nc1ncc(-c2nc3cc4ccccc4cc3[nH]2)cc1[N+](=O)[O-] 587268319 QUTOTQBVRVQMEU-UHFFFAOYSA-N 305.297 3.269 5 1 DGBF CCOc1cc(C)c2cc3c(C)cc(=O)n4c3c(c2n1)OCCC4 1857593382 ICWWVRXCBOLPBT-UHFFFAOYSA-N 324.380 3.348 5 1 DGBF CCOC(=O)C(C)(C)Oc1ccc(/C=C/[N+](=O)[O-])cc1Cl 1857611912 ZVCZIVHGLLJGST-BQYQJAHWSA-N 313.737 3.308 5 1 DGBF O=[N+]([O-])c1c2c(cc3c1ccc1ccccc13)C=C[C@@H](O)[C@H]2O 27886528 LREBZIARNANHNE-CRAIPNDOSA-N 307.305 3.322 5 1 DGBF O=[N+]([O-])c1cc2nc(CCOCc3ccccc3)[nH]c2cc1F 587565717 ITYHUVXDXQLDTL-UHFFFAOYSA-N 315.304 3.370 5 1 DGBF O=[N+]([O-])c1ccccc1N1CC2(CCNCC2)c2ccccc21 28094454 RIVDCSLHTSNUQK-UHFFFAOYSA-N 309.369 3.368 5 1 DGBF O=[N+]([O-])c1ccc(-c2nnc(-c3ccc4nc[nH]c4c3)o2)cc1 1911578880 WIYFQUUIMBBRKF-UHFFFAOYSA-N 307.269 3.188 5 1 DGBF O=[N+]([O-])c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587017594 YJBIXXMWUXWKCK-GFCCVEGCSA-N 316.342 3.446 5 1 DGBF O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)c(F)cc3[nH]2)n1 587274719 ZXLLOMCMCZMKMJ-UHFFFAOYSA-N 323.715 3.093 5 1 DGBF O=[N+]([O-])c1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1 653830145 QFLBDPRBRBLTMC-UHFFFAOYSA-N 308.219 3.323 5 1 DGBF C[C@H]([C@@H]1COC(c2ccccc2)(c2ccccc2)O1)[N+](C)(C)C 42988765 WTEHQRIXJACFHE-APWZRJJASA-N 312.433 3.398 5 1 DGBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434664 XYWDHXHQHBQYFR-MNRXQERYSA-N 319.357 3.037 5 1 DGBF N[C@@]1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCOC1 587248184 HMPOYKPVIFVJTP-IBGZPJMESA-N 303.365 3.444 5 1 DGBF CNCCNc1ccc(C)c2sc3ccc(O)cc3c(=O)c12 5392817 DUPPMHIWMCMSTI-UHFFFAOYSA-N 314.410 3.060 5 1 DGBF C[C@@H](O)CNCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 34513668 HVNNHBXTDOGMKU-SNVBAGLBSA-N 317.772 3.070 5 1 DGBF C[C@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc2ccccc2c1 96929370 LEAQBCCIWUFWOI-XOVSCCBYSA-N 323.352 3.496 5 1 DGBF O=[N+]([O-])C1=Cc2ccccc2O[C@H]1Nc1cccc([N+](=O)[O-])c1 13737779 IHWCZNDXJCXVBS-OAHLLOKOSA-N 313.269 3.043 5 1 DGBF CCCc1cc(=O)oc2c1c(OC)cc1oc([N+](=O)[O-])cc12 169342988 ZVXZOEUUHPYXLP-UHFFFAOYSA-N 303.270 3.409 5 1 DGBF C[N+](C)(CCOc1ccc2ccc(=O)oc2c1)Cc1ccccc1 299818032 JUJDCVTVMGQGHI-UHFFFAOYSA-N 324.400 3.448 5 1 DGBF O=[N+]([O-])c1ccc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)nc1 963097421 FDHYQOPIIVWMNF-SUMWQHHRSA-N 313.332 3.239 5 1 DGBF CCOC(=O)Nc1ccc2cc3ccc(N)c(CO)c3nc2c1 28087221 LWOXMUHFOJNGIH-UHFFFAOYSA-N 311.341 3.031 5 1 DGBF CCc1cccc2cc3cccc(C(=O)NCCN(C)C)c3nc12 29561100 KMWMPXDAAGDRAX-UHFFFAOYSA-N 321.424 3.242 5 1 DGBF COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1OC=C[C@@H]1O2 238756938 KYGRCGGBECLWMH-DYZYQPBXSA-N 324.288 3.006 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c(F)c1)O2 587385080 LPERLPVRTBRBJJ-HNNXBMFYSA-N 316.288 3.331 5 1 DGBF Cc1ccc([C@@H]2CC(=O)C[C@@H](c3ccccn3)[C@@H]2[N+](=O)[O-])cc1 45228600 SJKMEGHCFBDJPW-XYJFISCASA-N 310.353 3.266 5 1 DGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-n1nc(Cl)nc1Cl 587645213 LEXOSSZXIWOTJA-UHFFFAOYSA-N 312.116 3.272 5 1 DGBF COc1cc(C2(c3nc4cncc([N+](=O)[O-])c4[nH]3)CC2)ccc1C 587925598 BIHOBOWQAJKILY-UHFFFAOYSA-N 324.340 3.263 5 1 DGBF CCOc1ccc(C(=O)CN2C=C[C](C)C=C2)cc1[N+](=O)[O-] 2356872428 XJFZYWDVMWMRBS-UHFFFAOYSA-N 301.322 3.114 5 1 DGBF C[C@@]1(Cc2ccc([N+](=O)[O-])cc2)N(O)c2ccccc2[N+]1=O 137934140 KHHCDNSBAPPIEL-OAHLLOKOSA-N 300.294 3.173 5 1 DGBF COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(OC)c1C 587787069 KBDNGIPFVOQFGX-UHFFFAOYSA-N 313.313 3.464 5 1 DGBF O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCCCC1 82086345 PZDMADDYQSRZAQ-UHFFFAOYSA-N 317.370 3.344 5 1 DGBF O=C1C[C@]2(CC[C@H](C[N+](=O)[O-])C2)Oc2c1ccc1c2CCCC1 587512445 XYJCHUPVEDFEQQ-KPZWWZAWSA-N 315.369 3.346 5 1 DGBF COc1ccc(C=O)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587785896 DQJPSBVSZPVUII-UHFFFAOYSA-N 315.260 3.098 5 1 DGBF COc1cccc([C@@H](C)Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587933212 ZGCUVFQOYMZABJ-JTQLQIEISA-N 312.329 3.221 5 1 DGBF CC(C)(O)CCc1cccc2nc3cccc(C(=O)O)c3nc12 1772610762 UYPZSXVKHNBEBL-UHFFFAOYSA-N 310.353 3.185 5 1 DGBF COc1cc2oc(=O)c3c(O)cc(O)cc3c2c(C)c1Cl 2356384485 SQHXETAXRBEYRI-UHFFFAOYSA-N 306.701 3.328 5 1 DGBF Nc1c(NC(=O)CCc2ccccc2)cc(Cl)cc1[N+](=O)[O-] 299861030 HMMYIHGSZPRWEM-UHFFFAOYSA-N 319.748 3.402 5 1 DGBF Cc1oc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587268578 FNEUHORGIVZERY-UHFFFAOYSA-N 312.207 3.453 5 1 DGBF CC1(C)Cc2c(ccc3c(=O)c4cccc(CC(=O)O)c4oc23)O1 27555664 LMADYIUNBZGEDA-UHFFFAOYSA-N 324.332 3.287 5 1 DGBF CCN(CC)C(=O)c1ccc2c(c1)c1ccccc1c(=O)n2C 169327715 XVJKWWZVIXBIEK-UHFFFAOYSA-N 308.381 3.174 5 1 DGBF Cc1cc2[nH]c([C@H]3C[C@@H](O)c4ccccc43)nc2cc1[N+](=O)[O-] 586905218 ZPUWCEKUDQWTKB-BLLLJJGKSA-N 309.325 3.349 5 1 DGBF Cc1ncc([N+](=O)[O-])n1/C(=C/c1ccccc1Cl)[C@@H](C)O 1857638794 SXACIWSUOBLDDR-MRACZJACSA-N 307.737 3.132 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)cc1[N+](=O)[O-])O2 587384626 GKKXRJGCKDXFHX-OAHLLOKOSA-N 316.288 3.331 5 1 DGBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc([N+](=O)[O-])cc1)O2 587390513 QVWLRGJUSCSKAV-KRWDZBQOSA-N 312.325 3.366 5 1 DGBF Cc1cc(Cl)cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 587268933 NOOSUDCILALVTJ-UHFFFAOYSA-N 317.736 3.440 5 1 DGBF c1cc(-c2nc[nH]n2)c2nc(NC3CC3)c3ccncc3c2c1 73157688 FCZYYBANBFQRMS-UHFFFAOYSA-N 302.341 3.142 5 1 DGBF CCCCOC(=O)c1cc(-n2cnc([N+](=O)[O-])c2)ccc1Cl 95572421 PJUGHRILDBVDCP-UHFFFAOYSA-N 323.736 3.391 5 1 DGBF COc1cc(-c2nc3cccc(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260736 BNWBFNSNKSSICB-UHFFFAOYSA-N 317.276 3.294 5 1 DGBF Cc1c(C(=O)Nc2ccccc2)cnn1-c1cccc([N+](=O)[O-])c1 1772592219 KCCMVSOCMAVTBC-UHFFFAOYSA-N 322.324 3.341 5 1 DGBF Cn1c([N+](=O)[O-])cnc1/C=C/c1cccc(Br)c1 11183238 XKGSFHHPIHOTBG-AATRIKPKSA-N 308.135 3.261 5 1 DGBF COc1ccnc2c1C(=O)c1nc3ccccc3c3ccnc-2c13 13216215 NPMBMAQAWUDHLX-UHFFFAOYSA-N 313.316 3.398 5 1 DGBF Cc1c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)oc2c1[C@H](O)CCC2 586904046 QCHJLKLKNCYYMC-LLVKDONJSA-N 313.313 3.409 5 1 DGBF COc1cc(C2(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CC2)ccc1C 587925972 GFLCCUSRRIOZEG-UHFFFAOYSA-N 324.340 3.263 5 1 DGBF COc1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c(F)c1 587148934 NBSYXMSLFWBPLX-UHFFFAOYSA-N 301.277 3.210 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c(-c3ccc4c(c3O)CCCC4)nc2c1 586898606 PYTPDEKXBWGNQH-UHFFFAOYSA-N 310.313 3.118 5 1 DGBF CC(C)(C)c1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1 587267608 BNAKSYCZRLUSHJ-UHFFFAOYSA-N 311.345 3.413 5 1 DGBF NCCCNCCCNCc1c2ccccc2cc2ccccc12 13522097 VCVQHCFDEPZGRW-UHFFFAOYSA-N 321.468 3.411 5 1 DGBF O=[N+]([O-])c1cncc2nc(CCc3cc4ccccc4o3)[nH]c12 586909114 VOCAOOLGYXPMAJ-UHFFFAOYSA-N 308.297 3.398 5 1 DGBF O=C(O)C1=Cc2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)C1 1772637745 AGXOCPDHDOCLBD-UHFFFAOYSA-N 310.309 3.083 5 1 DGBF CC(=O)c1ccc(Nc2cccc([N+](=O)[O-])c2)c(C(=O)O)c1 84722750 QWHZWZNJYQQAIQ-UHFFFAOYSA-N 300.270 3.239 5 1 DGBF O=[N+]([O-])c1cccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587015782 BBPBNUBPOVMGNO-LLVKDONJSA-N 316.342 3.446 5 1 DGBF O=[N+]([O-])c1ccc(NC(=S)OCCOc2ccccc2)cc1 45498456 UWVAYYLBPWXXTE-UHFFFAOYSA-N 318.354 3.387 5 1 DGBF O=[N+]([O-])c1cc([C@@H]2NCCc3cc(O)ccc32)ccc1Cl 2356820229 VORMTUHYXARKLF-HNNXBMFYSA-N 304.733 3.189 5 1 DGBF COc1cccc([C@@H](C)Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587933044 YHKSZXKRNXRKIQ-JTQLQIEISA-N 312.329 3.221 5 1 DGBF Cc1cc2[nH]c(/C=C3/OC(=O)c4ccccc43)nc2cc1[N+](=O)[O-] 586906822 RLPYRRUHUGQKNN-OVCLIPMQSA-N 321.292 3.448 5 1 DGBF O=[N+]([O-])c1cccc(CCc2nc3cncc(Cl)c3[nH]2)c1 587270444 PAPMYRQWUOMRCV-UHFFFAOYSA-N 302.721 3.305 5 1 DGBF C[n+]1c2ccccc2c(NCCCCN)c2[nH]c3ccccc3c21 66077943 ADBAXINXGBMPMR-UHFFFAOYSA-O 319.432 3.450 5 1 DGBF Cc1nc2cc([N+](=O)[O-])ccc2c(NCCCN(C)C)c1C 1630814 NHUYXHKWJBASDM-UHFFFAOYSA-N 302.378 3.123 5 1 DGBF Cc1ccc(C[C@@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 45166989 IZQIRKWVXOWWSN-RDTXWAMCSA-N 314.385 3.157 5 1 DGBF Cc1nccc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc12 587269914 UAUJLGYWOGDPGC-UHFFFAOYSA-N 323.356 3.442 5 1 DGBF COc1cc2oc3c(O)ccc4ccnc(c(=O)c2cc1OC)c43 14619192 OOEMAMHGESSNJK-UHFFFAOYSA-N 323.304 3.217 5 1 DGBF biogenic CCNc1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1 96910794 MFANVHFLECCKPR-UHFFFAOYSA-N 319.264 3.015 5 1 DGBF CN(C)CCNCC(=O)Nc1c2ccccc2cc2ccccc12 169331173 BRIDLRYHPTVRSY-UHFFFAOYSA-N 321.424 3.083 5 1 DGBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(Cl)c2[nH]1 587277664 ZRGUBEGOVQBWAN-QMMMGPOBSA-N 305.725 3.125 5 1 DGBF C/C(=C\C(=O)n1nnc2ccccc21)c1ccc([N+](=O)[O-])cc1 1857629310 CBEBZXBZSOTZGL-ZHACJKMWSA-N 308.297 3.083 5 1 DGBF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587148815 CULOBTDGRUXBDG-ZETCQYMHSA-N 320.255 3.284 5 1 DGBF O=C(c1ccc([N+](=O)[O-])cc1)c1coc2cc([N+](=O)[O-])ccc12 587279579 MGMYWRLTPXARTR-UHFFFAOYSA-N 312.237 3.480 5 1 DGBF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587196063 PWPMFZIWDPRIFJ-JTQLQIEISA-N 311.345 3.084 5 1 DGBF COc1cc2c(ccc3cc(OC)c(O)c(OC)c32)cc1O 14650728 UXEZMBCBKXCZBP-UHFFFAOYSA-N 300.310 3.430 5 1 DGBF biogenic COc1cc(C)c2c(c1)oc(=O)c1c(OC)cc(OC)cc12 137318175 JCDZCINPOHYFPL-UHFFFAOYSA-N 300.310 3.280 5 1 DGBF O=C1C[C@@]2(CC[C@@H](C[N+](=O)[O-])C2)Oc2c1ccc1c2CCCC1 587512450 XYJCHUPVEDFEQQ-XIKOKIGWSA-N 315.369 3.346 5 1 DGBF CCOC(=O)c1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12 587649366 SRHIRFVHBTWUKL-UHFFFAOYSA-N 311.297 3.315 5 1 DGBF CCCS(=O)(=O)Nc1ccc2nc(O)c3ccccc3c2c1 1857592902 FXBJMKIGTZIHCU-UHFFFAOYSA-N 316.382 3.245 5 1 DGBF O=[N+]([O-])c1cccc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587130923 ZLKXINVGSBZOML-UHFFFAOYSA-N 320.255 3.177 5 1 DGBF C[C@H](O)c1ncc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)s1 587022678 UTBXVNDBBHJDDF-YFKPBYRVSA-N 324.749 3.301 5 1 DGBF CC(CO)(CO)NCc1ccc2ccc3cccc4ccc1c2c34 26157222 WWWZUKCNXRNDKA-UHFFFAOYSA-N 319.404 3.417 5 1 DGBF CC(C)(O)/C=C/c1cccc2nc3cccc(C(=O)O)c3nc12 169312188 NJZPIKQNYWPUTK-MDZDMXLPSA-N 308.337 3.265 5 1 DGBF CN(CCO)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 40877082 UBIMBKBRKARNSX-UHFFFAOYSA-N 317.772 3.024 5 1 DGBF O=[N+]([O-])c1ccc(NC(=S)OCCc2ccc(O)cc2)cc1 45497410 VMUBJKQRNHBRCA-UHFFFAOYSA-N 318.354 3.257 5 1 DGBF COc1ccc2sc3c(C)ccc(NCCN)c3c(=O)c2c1 102198938 LPONDAOJTYWMCY-UHFFFAOYSA-N 314.410 3.102 5 1 DGBF O=[N+]([O-])c1cncc2nc(CSCc3ccsc3)[nH]c12 587025775 NWCKOHARWSYVPA-UHFFFAOYSA-N 306.372 3.361 5 1 DGBF Cc1ccnc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc12 587269870 SACWLNDJJBQECG-UHFFFAOYSA-N 323.356 3.442 5 1 DGBF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc([N+](=O)[O-])cc4[nH]1)(C3)C2 587969625 RLBQEHGFVXOMEG-FYBJUZMNSA-N 311.341 3.118 5 1 DGBF CC[C@H](C)Sc1nc(Cc2ccc([N+](=O)[O-])cc2)cc(=O)[nH]1 13474603 BKZLLLDAYWXMHJ-JTQLQIEISA-N 319.386 3.160 5 1 DGBF C[C@@H](Sc1ncccn1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586963958 SFNLZTBSAMQYCU-MRVPVSSYSA-N 301.331 3.114 5 1 DGBF Cc1c(F)ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 587270502 KYJOVEVJBBEGQZ-ZDUSSCGKSA-N 314.320 3.161 5 1 DGBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(F)cc2[nH]1 587159605 UMJJWUBENHSMNW-UHFFFAOYSA-N 305.240 3.328 5 1 DGBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(F)c2[nH]1 587268992 GNLMGLCBYGDJDO-UHFFFAOYSA-N 315.260 3.002 5 1 DGBF O=[N+]([O-])c1cc2nc(-c3cc(CO)ccc3F)[nH]c2cc1Cl 587141190 ZEURTEPJYZAIRB-UHFFFAOYSA-N 321.695 3.423 5 1 DGBF Cc1c(CNC(=O)OC(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587647339 WNMSBZHCVCVPDX-UHFFFAOYSA-N 305.334 3.409 5 1 DGBF CCO[P@@](=O)(NC(C)C)Oc1cccc([N+](=O)[O-])c1C 72123611 UIDPUCNXXLCRMK-FQEVSTJZSA-N 302.267 3.425 5 1 DGBF COc1ccc(C=O)cc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587787151 PYVMYFUARLFSOD-UHFFFAOYSA-N 311.297 3.268 5 1 DGBF CCc1ccc2nccc(NCCCN(C)C)c2c1[N+](=O)[O-] 1627733 MKIHICVXLWILFI-UHFFFAOYSA-N 302.378 3.069 5 1 DGBF O=C(O)c1ccccc1/C=C\c1nc2ccc([N+](=O)[O-])cc2[nH]1 586879738 NBDKTZYTJZTFSL-YVMONPNESA-N 309.281 3.340 5 1 DGBF C[C@@H](Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)C1=NCCN1 13585597 ZMDCNVSZNFXVKI-GFCCVEGCSA-N 311.341 3.031 5 1 DGBF C[C@H](O)CNCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 34513667 HVNNHBXTDOGMKU-JTQLQIEISA-N 317.772 3.070 5 1 DGBF CN(C)CCn1nc2c3ccccc3oc3c4[nH]cnc4cc1c23 40585284 JHZZIUDDSJTICK-UHFFFAOYSA-N 319.368 3.374 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587152583 QKMJUMPSGMLCRB-ZJUUUORDSA-N 316.267 3.415 5 1 DGBF Cn1cc(-c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cn1 587645285 OAHFIBWLZDKQTN-UHFFFAOYSA-N 310.235 3.495 5 1 DGBF CCO[P@@](=O)(NC(C)C)Oc1ccc([N+](=O)[O-])c(C)c1 72123447 HCRLHOJYYPWXLN-FQEVSTJZSA-N 302.267 3.425 5 1 DGBF CCCn1c(=O)nc2oc3ccc4ccccc4c3cc-2c1=O 95555988 JAQVAZNTWKPAOQ-UHFFFAOYSA-N 306.321 3.018 5 1 DGBF Cc1nn(CC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1Cl 587279785 AQWWFFKNJQQTHO-UHFFFAOYSA-N 319.704 3.382 5 1 DGBF COc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC 323306866 DNYFRCLIPTWYHU-UHFFFAOYSA-N 313.313 3.079 5 1 DGBF N[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1Cl 587059450 QKYVLWFRMHMECX-NSHDSACASA-N 316.748 3.367 5 1 DGBF N[C@H](N=O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160254 ODIYJEDNTZRDMB-CYBMUJFWSA-N 315.264 3.001 5 1 DGBF C[C@@H]1OC(c2ccccc2)(c2ccccc2)O[C@@H]1C[N+](C)(C)C 103293747 VZDHPUOQUGUUSO-QFBILLFUSA-N 312.433 3.398 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c(-c3csc4ccc(O)cc34)nc2c1 587031584 IXGJRJVLYVPFMQ-UHFFFAOYSA-N 312.310 3.453 5 1 DGBF O=[N+]([O-])c1cc2nc(-c3ncccc3Cl)[nH]c2cc1[N+](=O)[O-] 587064775 FQPAKEUIQHOFEH-UHFFFAOYSA-N 319.664 3.095 5 1 DGBF COc1ccc2c(cc3c4c(cc5c(c42)OCO5)C(=O)N3)c1O 14727093 FNZMOROGTULVKO-UHFFFAOYSA-N 309.277 3.002 5 1 DGBF biogenic CCOC(=O)/C=C/n1c2ccccc2c(=O)c2cc(OC)ccc21 5499621 APXGUUCNSPKSIG-ZHACJKMWSA-N 323.348 3.197 5 1 DGBF COc1cc(OC)c2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2c1 587160005 BRLOYXLXIRMWKH-UHFFFAOYSA-N 317.276 3.294 5 1 DGBF O=c1ccccn1C1=CC2(CCCC2)Oc2ccc([N+](=O)[O-])cc21 27554596 YHMPRHCHYBWBKM-UHFFFAOYSA-N 324.336 3.351 5 1 DGBF C[C@@H](Oc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587169109 SNPITMJRCFNZDG-MRVPVSSYSA-N 302.265 3.145 5 1 DGBF Cc1cc2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc2cc1[N+](=O)[O-] 586905220 ZPUWCEKUDQWTKB-MLGOLLRUSA-N 309.325 3.349 5 1 DGBF CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC[C@@H](O)C[N+]1(C)CCCCC1 11617108 ZFFAWJGVDWLYCL-VJANTYMQSA-N 312.518 3.455 5 1 DGBF O=[N+]([O-])c1cnc2nc(-c3ccc(OC(F)F)cc3)[nH]c2c1 400677138 VFRCKTXDPGWEDU-UHFFFAOYSA-N 306.228 3.135 5 1 DGBF C[C@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)N(C)C 587192334 UAWLJRMWYPODRX-LLVKDONJSA-N 305.385 3.152 5 1 DGBF O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1Nc1ccccc1[N+](=O)[O-] 13737776 KZGLHASQOPDJMT-HNNXBMFYSA-N 313.269 3.043 5 1 DGBF CCCCNC(=O)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21 40466107 KTFCYDISLFJHIP-UHFFFAOYSA-N 304.346 3.066 5 1 DGBF COc1ccc([C@@H]2ON=C(c3ccc([N+](=O)[O-])s3)O2)cc1 49784832 HOONVFOYRDSBFE-ZDUSSCGKSA-N 306.299 3.072 5 1 DGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-n1nc(Cl)nc1Cl 587645328 QDEIJVAZQNGWOF-UHFFFAOYSA-N 312.116 3.272 5 1 DGBF O=[N+]([O-])c1cc(-n2c(O)c3c(c2O)[C@@H]2CC[C@@H]3O2)ccc1Cl 169727189 NZAOQVPAHOIJPZ-UWVGGRQHSA-N 322.704 3.356 5 1 DGBF C[C@@H](c1nc2ccc3c(c2[nH]1)CCCC3)n1cc([N+](=O)[O-])cn1 587277456 WINJGOIFTDRSAP-JTQLQIEISA-N 311.345 3.156 5 1 DGBF O=C1C[C@@]2(CCCC[C@H]2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587513452 SREBNXQFZKRDIF-SJLPKXTDSA-N 315.369 3.489 5 1 DGBF Cc1ncc([N+](=O)[O-])n1/C(=C/c1ccc(Cl)cc1)[C@H](C)O 1857754230 BHXOCGCCSJTVEF-PBJWJZLWSA-N 307.737 3.132 5 1 DGBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587037072 RIAVELSWLNTPLF-LLVKDONJSA-N 318.383 3.306 5 1 DGBF COc1c(O)cc2cc(OC)c3cccc(O)c3c2c1OC 14650713 MRYYPHKLLLULDL-UHFFFAOYSA-N 300.310 3.430 5 1 DGBF biogenic