smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1ccc(-c2nnc(N3CCSCC3)s2)s1 40846939 DVWQXXSJJFADOF-UHFFFAOYSA-N 314.417 2.728 5 1 DFBF O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccc(O)cc1 299859937 IPULZACUXHHCAV-UHFFFAOYSA-N 311.297 2.871 5 1 DFBF Cc1cc(C)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 587263314 LHMMMOHOUIOMLW-DRZSPHRISA-N 315.373 2.840 5 1 DFBF Cc1cc(N(C)Cc2nc3cccnc3[nH]2)c([N+](=O)[O-])cc1F 587137433 ZZQCQFOUKMQVFC-UHFFFAOYSA-N 315.308 2.950 5 1 DFBF O=CNc1nc(O)c2c(ccc3ccc(Br)cc32)n1 13832484 YYJRXIPLSQTGRP-UHFFFAOYSA-N 318.130 2.819 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c(-c3cncc(C(F)(F)F)c3)nc2c1 587115388 MNBAHIVQLDCXHP-UHFFFAOYSA-N 309.207 2.947 5 1 DFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccnc(Cl)c2[nH]1 587277200 QMSHOYSUPMZXJW-SSDOTTSWSA-N 306.713 2.520 5 1 DFBF Cc1cc(F)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc2c1 587263455 MWQJRSUGEAKYMX-OUAUKWLOSA-N 319.336 2.671 5 1 DFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Cl)nc2[nH]1 587270557 NIIBGZLEVPXEFP-JTQLQIEISA-N 317.736 2.762 5 1 DFBF C[C@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)cc1 96929041 XPRNKSCDBLSGRL-QBBOHKLWSA-N 307.737 2.996 5 1 DFBF CCOC(=O)Cn1c(C(F)(F)F)nc2cc([N+](=O)[O-])ccc21 103197624 DKCMNMNMANQYJL-UHFFFAOYSA-N 317.223 2.526 5 1 DFBF O=[N+]([O-])c1ccn(CCCc2nc3cc(F)c(F)cc3[nH]2)n1 587272899 DBEKGZSBMNACCL-UHFFFAOYSA-N 307.260 2.579 5 1 DFBF CCOc1ccccc1OCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587781192 RXHFAKWTGMBGSL-UHFFFAOYSA-N 314.301 2.844 5 1 DFBF N[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C1CC1 587256071 XTKJZEVBWWSZDO-MRVPVSSYSA-N 311.139 2.643 5 1 DFBF COc1c(O)c(OC)c2c3c(cc4cccc(O)c42)NC(=O)c13 238757179 IPFOZHWHKQOOFN-UHFFFAOYSA-N 311.293 2.987 5 1 DFBF CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3ccccc3[nH]c2c1 5498763 AJETWHCOUWPXNO-UHFFFAOYSA-N 311.293 2.532 5 1 DFBF biogenic Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(Cl)nc2[nH]1 587268268 ZIAHGNMSRVUONF-ZETCQYMHSA-N 306.713 2.634 5 1 DFBF C[N+]12CCC(CC1)[C@@H](Cc1nc(-c3cccc(F)c3)no1)C2 1857564429 QNTUXXYIOXEBEI-BJJGWYPJSA-N 302.373 2.905 5 1 DFBF COc1ccc2c(c1)c(OC)c1c3c(ccnc32)C(=O)C(=O)N1C 14516264 XISBOSGBWCHVLA-UHFFFAOYSA-N 322.320 2.564 5 1 DFBF biogenic O=[N+]([O-])c1cccc(-c2cn(-c3ccc4c(c3)OCO4)nn2)c1 473085281 WNQZHGWUGBBDJE-UHFFFAOYSA-N 310.269 2.571 5 1 DFBF O=[N+]([O-])c1cccc(CCc2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 587270436 OXTUTPKIACMYPU-UHFFFAOYSA-N 323.312 2.838 5 1 DFBF COc1cc(CCC(=O)N2CCCCC2)c([N+](=O)[O-])cc1OC 96935514 FXAYOISWUKXZHU-UHFFFAOYSA-N 322.361 2.557 5 1 DFBF O=C1NC(c2ccc([N+](=O)[O-])cc2)=CCN1c1cccc(O)c1 299866939 XAZAMOHNLKACFZ-UHFFFAOYSA-N 311.297 2.871 5 1 DFBF Cc1ncc([N+](=O)[O-])n1/C(=C/c1c[nH]c2ccccc12)[C@@H](C)O 1857763465 QTHQEOZEDOZWAD-MIJYTDESSA-N 312.329 2.960 5 1 DFBF CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](N2CCCCC2)[C@@H]1O 29345279 HCTZGQKGNBAGKX-CABCVRRESA-N 306.362 2.654 5 1 DFBF O=c1c2cc3c(cc2oc2c(O)ccc4ccnc1c42)OCO3 14619188 NVOOQZOYOMXCTR-UHFFFAOYSA-N 307.261 2.929 5 1 DFBF biogenic COC(=O)c1ccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2n1 587260813 GTDYENFOTBPOKB-UHFFFAOYSA-N 312.285 2.628 5 1 DFBF CCc1nnsc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280396 CTNOYOMVDREETG-UHFFFAOYSA-N 303.299 2.986 5 1 DFBF O=[N+]([O-])c1cncc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587035137 LWMVEYISMBOHIN-LLVKDONJSA-N 316.342 2.784 5 1 DFBF Cc1nc(N[C@H]2CC[C@@H](C)C2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821454 LGBAZLMOSICGHE-SKDRFNHKSA-N 316.365 2.788 5 1 DFBF CCNc1nc(N)c([N+](=O)[O-])c(Nc2cccc(Cl)c2)n1 96020721 YAGXETIDRAYHEK-UHFFFAOYSA-N 308.729 2.796 5 3 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N)c([N+](=O)[O-])c1)O2 587388640 DYSOYVBACFTWET-OAHLLOKOSA-N 313.313 2.774 5 1 DFBF O=C(O)CCSc1nnc(-c2ccc([N+](=O)[O-])s2)s1 28569701 YSONMSKYSPLPOS-UHFFFAOYSA-N 317.373 2.742 5 1 DFBF O=C(O)c1cccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 587270876 VNBXYDFVFKLHAB-UHFFFAOYSA-N 311.297 2.955 5 1 DFBF Cc1[nH]c2c(C(=O)O)cccc2c1-n1nc([N+](=O)[O-])cc1C 587638168 NANCGFFGWSJRDN-UHFFFAOYSA-N 300.274 2.577 5 1 DFBF O=C1O/C(=C\c2nc3cncc([N+](=O)[O-])c3[nH]2)c2ccccc21 586905892 FYICJCXRTZYMHL-XGICHPGQSA-N 308.253 2.535 5 1 DFBF COc1cc(O)c2c(=O)c3c(OC)ccc(OC)c3oc2c1 14764488 WSRRHFFQNVXIKF-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic O=C(/N=c1/[nH]c2ccc([N+](=O)[O-])cc2[nH]1)c1cc2ccccc2o1 95598052 QAICUDUALKIEIX-UHFFFAOYSA-N 322.280 2.892 5 1 DFBF C[C@@]1(CO)C=Cc2c(cc(O)c3c(=O)c4ccccc4[nH]c23)O1 238784592 ZRCVUWHYXXAJML-SFHVURJKSA-N 309.321 2.544 5 1 DFBF O=[N+]([O-])c1cc(/C=C/c2nc3c(O)ncnc3[nH]2)ccc1Cl 587049207 IVYTYCLEIMSXBM-DUXPYHPUSA-N 317.692 2.791 5 1 DFBF NC(=O)c1c(F)c(Cl)c2[nH]c3ccccc3c(=O)c2c1F 58603618 GWFJMOATUGODPQ-UHFFFAOYSA-N 308.671 2.712 5 1 DFBF Nc1nc(-c2cccc([N+](=O)[O-])c2)c2c(n1)-c1ccccc1C2=O 219738346 JABRWOZFRHLAFD-UHFFFAOYSA-N 318.292 2.845 5 1 DFBF O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1 28871031 GUYJZRAYSUHALL-UHFFFAOYSA-N 304.214 2.813 5 1 DFBF O=[N+]([O-])c1cncc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 587174119 MRNOBPNBSCUWLT-GFCCVEGCSA-N 300.249 2.681 5 1 DFBF N[C@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@H]1c1ccccc1F 587153787 CXLQCTJZSQLGAL-MEDUHNTESA-N 312.304 2.952 5 1 DFBF COc1ccc2c(=O)c3ccc(OC)c(OC)c3oc2c1OC 14764606 VOVQKEHVZNTMEO-UHFFFAOYSA-N 316.309 2.981 5 1 DFBF biogenic N[C@@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@H]1c1ccccc1F 587153788 CXLQCTJZSQLGAL-ZBEGNZNMSA-N 312.304 2.952 5 1 DFBF Nc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cn1 587139665 ONRGGTYWTPIWTM-UHFFFAOYSA-N 307.672 2.908 5 1 DFBF CSc1ncc(CNc2cc([N+](=O)[O-])ccc2C)c(N)n1 12479834 LMHBXUYUYMUSTH-UHFFFAOYSA-N 305.363 2.609 5 3 DFBF COc1ccc2c(OC)c3c4c(ccnc4c2c1)C(=O)C(=O)N3C 14516267 VBXQWWHNFRKNSR-UHFFFAOYSA-N 322.320 2.564 5 1 DFBF biogenic O=C1C(=O)N2CCc3cc4c(c5c3c2c1c1ccccc15)OCO4 85996591 FMLHJJVSHOCVAU-UHFFFAOYSA-N 317.300 2.807 5 1 DFBF endogenous,in-man COc1cc(OC)c2c(=O)c3ccc(OC)c(OC)c3oc2c1 14764398 BKKSNWYHPJPCQA-UHFFFAOYSA-N 316.309 2.981 5 1 DFBF biogenic COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)[N@@+](C)([O-])CC2 253928478 KVSLFKRSBHIWMO-APWZRJJASA-N 315.369 2.891 5 3 DFBF Cn1cc(C2=NC[C@@]3(C[N+]4(C)CCC3CC4)O2)c2ccccc21 13451670 RCQATEJQXPANAB-AGGMIZPZSA-N 310.421 2.564 5 1 DFBF COC(=O)c1ccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)cc1 143517818 AMOIZZQJCDRDGD-UHFFFAOYSA-N 301.254 2.567 5 1 DFBF COc1cnc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1Cl 587064767 GJIFXVWKPVKTJA-UHFFFAOYSA-N 305.681 2.590 5 1 DFBF CCn1c(=O)c2cc(NC(=O)CN(C)C)ccc2c2ccccc21 13490275 SBLQANFMFSKESZ-UHFFFAOYSA-N 323.396 2.675 5 1 DFBF Cn1c([N+](=O)[O-])cnc1SCCCCCCCC(=O)O 169347021 JKTKWPKFDPWWBN-UHFFFAOYSA-N 301.368 2.846 5 1 DFBF Cc1c(F)ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 587265268 VIRATRMFZGPTEP-INTQDDNPSA-N 319.336 2.671 5 1 DFBF COC(=O)[C@@H]1C(C)=NC(SC)=N[C@H]1c1cccc([N+](=O)[O-])c1 169713988 JLODCDVMKKTLDW-NEPJUHHUSA-N 321.358 2.619 5 1 DFBF C/C=C1/C[N+]2([O-])CC[C@]34C=C(CO)[C@H]1C[C@@]32Nc1ccccc14 71281615 JAEYVIULIFERFK-DUWYZNKASA-N 310.397 2.663 5 1 DFBF COc1ccccc1CC(=O)c1nc2c([N+](=O)[O-])cccc2[nH]1 587929170 GPCPDIUYMGIYSD-UHFFFAOYSA-N 311.297 2.905 5 1 DFBF COc1cccc(-c2noc(C[C@@H]3C[N+]4(C)CCC3CC4)n2)c1 1857547765 GASRFEMQWFTGSP-DYDLGINISA-N 314.409 2.774 5 1 DFBF COc1ccc2oc3c(OC)c(OC)cc(OC)c3c(=O)c2c1 14764359 IJEAKXLWRJMFKY-UHFFFAOYSA-N 316.309 2.981 5 1 DFBF biogenic O=C(O)/C=C\c1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586881711 YOMAHOFDIFVCMJ-WAYWQWQTSA-N 310.269 2.631 5 1 DFBF C[C@@H](O)CCOc1cc(O)c2c(=O)c3c(O)cccc3oc2c1 14821974 BVGCPICXZZPKED-SECBINFHSA-N 316.309 2.507 5 1 DFBF biogenic,in-vitro O=[N+]([O-])c1ccc(-n2nnnc2SCc2ccccc2)cc1 59364932 UNVBLNNDNBIZSF-UHFFFAOYSA-N 313.342 2.863 5 1 DFBF O=C(Cc1ccccc1)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 72125044 GZICTLNJRANRON-UHFFFAOYSA-N 322.324 2.660 5 1 DFBF Cc1ccc(C)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc12 587261897 DPFKJKDZVFQAHR-FRRDWIJNSA-N 315.373 2.840 5 1 DFBF Cc1cc2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc2c(C)n1 587267685 OZBFCHFWQPMBEZ-SNVBAGLBSA-N 300.322 2.597 5 1 DFBF O=[N+]([O-])c1csc([C@H]2NCCc3nc4ccccn4c32)c1 962983768 MKSVQDWVOSVFTM-CYBMUJFWSA-N 300.343 2.539 5 1 DFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(F)cc2[nH]1 587270094 KBTVPFHDGPBIAN-LBPRGKRZSA-N 300.293 2.853 5 1 DFBF NC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccccc1[N+](=O)[O-] 64512347 AQGTUBOJXORWCG-UHFFFAOYSA-N 308.297 2.751 5 1 DFBF O=c1c2cccnc2oc2cc(OC[C@H]3CS3)cc(O)c12 49047706 FJXKVJWVJWRZSE-VIFPVBQESA-N 301.323 2.541 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(F)c(F)cc2[nH]1 587267671 OUXRJCNOSUNEJU-SSDOTTSWSA-N 307.260 2.864 5 1 DFBF COc1cc(-c2nc3cc(F)cnc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261230 ZNOFINZPEDLPKM-UHFFFAOYSA-N 318.264 2.689 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(F)cnc(Cl)c2[nH]1 587267783 QRQVMUGJWLQHFB-ZCFIWIBFSA-N 324.703 2.773 5 1 DFBF N[C@@H](Cc1ccccc1Cl)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587059146 OZZGFYUDOKJYFA-NSHDSACASA-N 317.736 2.762 5 1 DFBF C[C@H](F)[C@H](N)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587124311 NDMBHDNCGUEDLP-FFWSUHOLSA-N 317.118 2.591 5 1 DFBF NCCc1cc2cc[nH]c(=O)c2c2cc(-c3ccn[nH]3)ccc12 28955864 WLPRNGUNVGYLOI-UHFFFAOYSA-N 304.353 2.573 5 1 DFBF O=C(O)[C@H]1Cc2c(c(Cl)cc3c(=O)c4ccccc4oc23)O1 26656340 MSXGSJANHGKCOA-GFCCVEGCSA-N 316.696 2.988 5 1 DFBF NC(=O)CNC(=O)Cc1ccc2ccc3cccc4ccc1c2c34 26167130 AQIIFELDLFPNMG-UHFFFAOYSA-N 316.360 2.728 5 1 DFBF C/C=C1/C[N@+]2([O-])CC[C@]34C=C(CO)[C@H]1C[C@@]32Nc1ccccc14 254043185 JAEYVIULIFERFK-ZJSWZGNXSA-N 310.397 2.663 5 1 DFBF O=C(O)c1ccc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 473082484 IJJOECCSDWQLOS-UHFFFAOYSA-N 310.269 2.541 5 1 DFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cncc(Cl)c2[nH]1 587270018 HNLZCRTYEAPPTI-NSHDSACASA-N 317.736 2.762 5 1 DFBF Cc1ccc(C)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc12 587261893 DPFKJKDZVFQAHR-AGIUHOORSA-N 315.373 2.840 5 1 DFBF O=[N+]([O-])c1cccc(N2CC[N+]3(CCc4ccccc43)CC2)c1 66099184 DGFRBVVTNGPLAN-UHFFFAOYSA-N 310.377 2.978 5 1 DFBF COc1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587267980 UVBWUPCMTAHOJI-VIFPVBQESA-N 301.306 2.594 5 1 DFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cncc(Cl)c2[nH]1 587275306 BPGIBMPNVZLUTC-ZETCQYMHSA-N 306.713 2.520 5 1 DFBF CN(C)c1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)nc1 587194193 AKSXKYXXMYBLAR-UHFFFAOYSA-N 301.281 2.738 5 1 DFBF O=C1c2ccccc2-c2nnc(-c3cccc([N+](=O)[O-])c3)nc21 14970141 WNZPYDOLTGEVCM-UHFFFAOYSA-N 304.265 2.658 5 1 DFBF C[C@]12N=NN(c3ccc([N+](=O)[O-])cc3)[C@@]1(O)c1ccccc1C2=O 5846734 HWKUFLVWLDCUGM-HZPDHXFCSA-N 324.296 2.582 5 1 DFBF COc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1C 587268573 FJRPWPIGYMDKJK-UHFFFAOYSA-N 313.317 2.795 5 1 DFBF O=C1NCc2c1n1c3ccccc3nc1c1nc3ccccc3n21 45283405 WCEBEHSGKDDPIV-UHFFFAOYSA-N 313.320 2.532 5 1 DFBF CC(=O)OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 1857563858 KJKBSIXHJGHJLY-UHFFFAOYSA-N 306.318 2.799 5 1 DFBF O=[N+]([O-])c1ccc([C@@](O)(c2ccccc2)c2cncnc2)cc1 28769613 QYEGTISZRWIKGU-KRWDZBQOSA-N 307.309 2.669 5 1 DFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccnc(Cl)c2[nH]1 587277201 QMSHOYSUPMZXJW-ZETCQYMHSA-N 306.713 2.520 5 1 DFBF CC(C)(C)Nc1nc(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2s1 96910792 SHBNKIATIFVVCS-UHFFFAOYSA-N 324.318 2.683 5 1 DFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(Cl)ncnc2[nH]1 587159187 LSYPMUSCNBRTBA-UHFFFAOYSA-N 323.671 2.633 5 1 DFBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587275163 XMIGOKVDEKFDQA-UHFFFAOYSA-N 313.104 2.573 5 1 DFBF Cc1[nH]cnc1Cn1ccc2c(CO)cc3ccccc3c2c1=O 26986747 RGRJPPVSLYFHIH-UHFFFAOYSA-N 319.364 2.727 5 1 DFBF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587961390 FQXJHMKPRZIEFM-YUMQZZPRSA-N 318.289 2.537 5 1 DFBF N/N=c1\c2ccccc2c2ccc3c4ccccc4/c(=N\N)c3c12 17750528 YQFDUUHKVDVAGQ-BLVCXSLXSA-N 310.360 2.724 5 1 DFBF O=[N+]([O-])c1cccc(CNc2cc(Cl)nc3ccnn23)c1 40895514 BABCZCBPNBSAQA-UHFFFAOYSA-N 303.709 2.903 5 1 DFBF Cc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587261601 CMZBWFZGVRRRGO-WOPDTQHZSA-N 301.346 2.532 5 1 DFBF C[C@@]12N=NN(c3ccc([N+](=O)[O-])cc3)[C@@]1(O)c1ccccc1C2=O 17220019 HWKUFLVWLDCUGM-JKSUJKDBSA-N 324.296 2.582 5 1 DFBF Cc1nc(N[C@H]2CCC[C@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821456 BRRSYFCUYUISPX-SKDRFNHKSA-N 316.365 2.788 5 1 DFBF O=c1[nH]c2ncc(C3=NCCN3)cc2c2c1sc1ccccc12 40979868 YHTZGPYKJVBIHM-UHFFFAOYSA-N 320.377 2.641 5 1 DFBF Nc1c(F)c(F)cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1F 587136051 ALXLSHFSEANANE-UHFFFAOYSA-N 309.207 2.533 5 1 DFBF Cc1cc2[nH]c(-c3cccc(NC(N)=O)c3)nc2cc1[N+](=O)[O-] 587242374 RHGDXZSBUMWBIT-UHFFFAOYSA-N 311.301 2.937 5 1 DFBF COc1ccc2oc3ccc(O)c(OC)c3c(=O)c2c1OC 14764306 AAYYAURDUHQZGK-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic,in-vitro Cc1cncc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587263756 DDWWHIBIVGLSBN-UHFFFAOYSA-N 313.273 2.674 5 1 DFBF CN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 27625195 WSTHWQXSLJDJMX-GJZGRUSLSA-N 305.378 2.540 5 1 DFBF Cc1c(F)ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 587273514 KOGMHJSEJONQFM-UHFFFAOYSA-N 303.297 2.748 5 1 DFBF O=[N+]([O-])c1ccc(-c2nnc3n2N[C@@H](c2cccs2)S3)o1 72178183 MNIADELHASPTBL-SNVBAGLBSA-N 321.343 2.856 5 1 DFBF CCOC(=O)/C(=C/N(C)C)c1[nH]c2cccc([N+](=O)[O-])c2c1C 587646539 FSINMKYDRGRBCV-PKNBQFBNSA-N 317.345 2.850 5 1 DFBF O=[N+]([O-])c1ccccc1CCNC(=S)Nc1nccs1 13744855 ZJQTWNNDEJVWAP-UHFFFAOYSA-N 308.388 2.580 5 1 DFBF Cc1nc(NCc2ccc([N+](=O)[O-])cc2)nc(C(F)(F)F)n1 103283032 IXAKINJJCDRZHQ-UHFFFAOYSA-N 313.239 2.719 5 1 DFBF O=[N+]([O-])c1ccc(Cl)c(-c2ccc3c(O)nc(O)nc3n2)c1 587368374 IMFDUXKUHWARIQ-UHFFFAOYSA-N 318.676 2.665 5 1 DFBF COc1cc(OC)c2c(=O)c3c(O)cccc3oc2c1OC 14764369 BDCXJJMFQHAOFJ-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic Fc1ccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)cc1 98085380 DYNZTIQJSSYQHJ-UHFFFAOYSA-N 304.288 2.960 5 1 DFBF OC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCOCC1 586912338 CJDHBMBWCFCZDO-UHFFFAOYSA-N 320.352 2.657 5 1 DFBF Cc1cc(C)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc2c1 587263318 LHMMMOHOUIOMLW-WCFLWFBJSA-N 315.373 2.840 5 1 DFBF CCOC(=O)c1cc(-c2ccc(OC)cc2)c([N+](=O)[O-])n1C 1638637 TWJCFLSTYOAFCZ-UHFFFAOYSA-N 304.302 2.786 5 1 DFBF CCOC(=O)c1nc(O)c2cc3c(Cl)cccc3nc2n1 26642207 HRYODWXGXMLSDC-UHFFFAOYSA-N 303.705 2.714 5 1 DFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(CO)cc2[nH]1 587158719 GDAITYPXOHJZSA-UHFFFAOYSA-N 317.276 2.682 5 1 DFBF C[C@H]1Cc2c(ccc3c(=O)c4cccc(CC(=O)O)c4oc23)O1 27554808 CGNNXSGBFTXFDV-VIFPVBQESA-N 310.305 2.897 5 1 DFBF CC(=O)Nc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2n1O 28957234 WZNUDZBRAFIOQX-UHFFFAOYSA-N 312.285 2.807 5 1 DFBF O=[N+]([O-])c1cnc(/C=C/c2c(F)cccc2Cl)n1CCO 103255984 AQDKESUPEHLLQC-SNAWJCMRSA-N 311.700 2.747 5 1 DFBF O=[N+]([O-])c1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1Cl 587368847 PSIDEVMCDJCYJR-UHFFFAOYSA-N 318.676 2.665 5 1 DFBF CN(C)CCn1c(=O)c2nc3ccccc3nc2c2ccccc21 1772600450 KWANYRIFRMPJNS-UHFFFAOYSA-N 318.380 2.660 5 1 DFBF Cc1nn(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Br 139891 APLPOMQTJIDFBG-UHFFFAOYSA-N 324.134 2.859 5 3 DFBF O=C1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])o3)o2)S1 38265758 FHOWHRLSXRJEGB-UITAMQMPSA-N 306.255 2.772 5 1 DFBF CCc1ccccc1NC(=O)c1nc2c([N+](=O)[O-])cncc2[nH]1 587241626 ZNDZDHOQKSMMPN-UHFFFAOYSA-N 311.301 2.681 5 1 DFBF O=C(O)/C=C/c1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586881710 YOMAHOFDIFVCMJ-AATRIKPKSA-N 310.269 2.631 5 1 DFBF COc1cc(-c2nc3ccc(C)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260699 AKROLJUDICKPPD-UHFFFAOYSA-N 314.301 2.859 5 1 DFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)cnc2[nH]1 587268306 QDKZYUHNXLNAMH-UHFFFAOYSA-N 320.740 2.888 5 1 DFBF O=C(c1coc2cc([N+](=O)[O-])ccc12)c1cnn2cccnc12 587279607 NPESBNZADJEVOX-UHFFFAOYSA-N 308.253 2.615 5 1 DFBF CN(C)CCCn1c(=O)c2ccccc2c2c[nH]c3nccc-3c21 1857774721 QUGVVKIFZWEMDV-UHFFFAOYSA-N 320.396 2.934 5 1 DFBF CCOC(=O)c1c(-c2cncn2C)[nH]c2cccc([N+](=O)[O-])c12 587648060 ZMTIPJTXMONTNR-UHFFFAOYSA-N 314.301 2.653 5 1 DFBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cnncc3[nH]2)c1 587269461 OAKRDRGCCVFZJY-UHFFFAOYSA-N 310.317 2.528 5 1 DFBF O=C(Nc1ccc([N+](=O)[O-])cc1)c1coc2ccccc2c1=O 72108768 SYXFWCJPIVTGAE-UHFFFAOYSA-N 310.265 2.954 5 1 DFBF CN(C)CCN1C(=O)c2cccc3c2c(cc2cccnc23)C1=O 26830236 ADXDYMHVHKLSJO-UHFFFAOYSA-N 319.364 2.546 5 1 DFBF O=c1ccc2cc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)ccc2o1 586916939 ASHUVGOBGDANDH-UHFFFAOYSA-N 308.253 2.640 5 1 DFBF CC(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587269610 VTEXWSRROWBFGS-UHFFFAOYSA-N 311.301 2.681 5 1 DFBF C[C@H](F)[C@@H](N)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587125152 RLPYUYATHKEJJR-RNHFCUEFSA-N 317.118 2.591 5 1 DFBF CCCc1sc(N)nc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587013680 WSJPRRWUSWEZPG-UHFFFAOYSA-N 303.347 3.129 5 1 DFBF Cn1nc([N+](=O)[O-])cc1C(=O)c1coc2ccc(Cl)cc12 587279178 XVQSFPVBNBUFAF-UHFFFAOYSA-N 305.677 2.959 5 1 DFBF CCOC(=O)c1c(CN2CCCC2)[nH]c2cccc([N+](=O)[O-])c12 587648287 BFTXHYGCHRPLSU-UHFFFAOYSA-N 317.345 2.849 5 1 DFBF COc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1F 587266780 AMBLKLSPTIWILS-MRVPVSSYSA-N 319.296 2.733 5 1 DFBF Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1[N+](=O)[O-] 3093679 FUMNLCOHMGSPJE-AGCIHXOGSA-N 312.325 2.605 5 1 DFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccnc(O)c3[nH]2)c1 587262042 LXYOIMQDBQCVKS-UHFFFAOYSA-N 314.301 2.502 5 1 DFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc3ncccc3c2[nH]1 587274869 UZPMEWBLTIUAKR-UHFFFAOYSA-N 308.301 2.573 5 1 DFBF O=[N+]([O-])c1cccc(Cl)c1-c1ccc2c(O)nc(O)nc2n1 587369091 ULYNZYMHIWMGJQ-UHFFFAOYSA-N 318.676 2.665 5 1 DFBF COc1ccc2oc3cc(OC)c(OC)c(O)c3c(=O)c2c1 14764156 QZDLNSHJLNXZEJ-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic Cc1c(F)ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 587265267 VIRATRMFZGPTEP-DVVUODLYSA-N 319.336 2.671 5 1 DFBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262963 IMCIRQSOEXEXTP-IEBDPFPHSA-N 321.764 2.877 5 1 DFBF COc1ccc2c(c1)[C@@H](c1nc[nH]c1[N+](=O)[O-])N(C(C)C)CC2 962094801 SRWJOEXUXSBJGV-HNNXBMFYSA-N 316.361 2.682 5 1 DFBF C[C@H]1CCC(=O)[C@@H](C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O 103273293 GLBIUMDUJIGJPT-JVXZTZIISA-N 309.705 2.615 5 1 DFBF C[C@]1(c2ccc([N+](=O)[O-])s2)c2ccsc2CCN1C(N)=O 962708002 JFBDTDUBVNTOCO-CYBMUJFWSA-N 323.399 2.918 5 1 DFBF CC(=O)Oc1ccc2c(=O)c3c(OC(C)=O)cccc3oc2c1 40379362 HXYNFNKJPGLJSC-UHFFFAOYSA-N 312.277 2.797 5 1 DFBF CC(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587268057 WDENQOYIAHSUNL-VIFPVBQESA-N 313.317 2.788 5 1 DFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc3cn[nH]c3cc2[nH]1 587270545 MTQLETRSQPLMOX-LBPRGKRZSA-N 322.328 2.590 5 1 DFBF C[C@](O)(Cn1cnc([N+](=O)[O-])n1)c1ccc(-c2ccccc2)cc1 299862827 KBKIHBLYJWMPHY-KRWDZBQOSA-N 324.340 2.761 5 1 DFBF Cc1cnc2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1 587159811 ZYWWYIOZSZRTKC-UHFFFAOYSA-N 302.265 2.893 5 1 DFBF COc1ccc2c(=O)c3cc(OC)c(OC)c(O)c3oc2c1 14764583 ZIVWFVSJXMVCNV-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic Cc1c(NC(N)=O)cccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587238512 BESCGAQQYFLCFW-UHFFFAOYSA-N 311.301 2.937 5 1 DFBF Cc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1C 587263134 KCRXFRXKESPHJD-WXHSDQCUSA-N 315.373 2.840 5 1 DFBF COc1cccc(-c2noc(C[C@H]3C[N+]4(C)CCC3CC4)n2)c1 1857547766 GASRFEMQWFTGSP-FDTVQSNTSA-N 314.409 2.774 5 1 DFBF COc1ccc2c(oc3oc4cc(O)cc(O)c4c(=O)c32)c1O 14858463 BODLCPQFILUICL-UHFFFAOYSA-N 314.249 2.818 5 1 DFBF biogenic Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(OC(C)C)cc2[nH]1 587273038 CWXZMBAUTQPAES-UHFFFAOYSA-N 315.333 2.812 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(Cc3ccc([N+](=O)[O-])cc3C1)O2 587390324 POYLARSFPUMUQN-GOSISDBHSA-N 324.336 2.988 5 1 DFBF Cc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)[O-])ccnc12 34172205 RYBRSYXJJMOYNC-UHFFFAOYSA-N 304.350 2.828 5 1 DFBF COc1cc(OC)c2c(=O)c3c(O)ccc(OC)c3oc2c1 14764486 HQHNYYONAKPDCZ-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic CC(=O)Oc1cc2ccn3c(=O)c4cc5c(cc4c(c1)c23)OCO5 73196550 NEYHYKZLOOSGQY-UHFFFAOYSA-N 321.288 2.698 5 1 DFBF O=[N+]([O-])c1ccc(-c2nnnn2-c2nc3ccccc3s2)cc1 1857580173 MMRBGABVEAODEO-UHFFFAOYSA-N 324.325 2.847 5 1 DFBF CC(=O)Oc1ccc(OC(C)=O)c2c(=O)c3ccccc3oc12 15118970 ZJXNJKZEXMJPRJ-UHFFFAOYSA-N 312.277 2.797 5 1 DFBF Cc1oc2c(c1-c1nc3cncc([N+](=O)[O-])c3[nH]1)C(=O)CCC2 586904126 QDPJLEKGNMWCRD-UHFFFAOYSA-N 312.285 2.954 5 1 DFBF CC1(C)C=C(n2ccccc2=O)c2sc([N+](=O)[O-])cc2O1 27441018 AZCLPUKEKYCOTK-UHFFFAOYSA-N 304.327 2.878 5 1 DFBF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 621474192 SKWHLRXOZAPTEP-NPRUJURCSA-N 321.358 2.709 5 1 DFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)ncc2[nH]1 587276403 LCSYBRVRFHBZMK-ZETCQYMHSA-N 306.713 2.520 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587017516 XKVZFSYAZTURFU-SNVBAGLBSA-N 317.330 2.841 5 1 DFBF C[n+]1c2ccccc2nc2ccc(N[C@@H]3CCCC[C@H]3N)cc21 4172227 ZMIBXBIHMRRMMU-HUUCEWRRSA-O 307.421 2.894 5 1 DFBF C[C@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc([N+](=O)[O-])cc1 101757518 YRRXXKFKXPJFCC-CQDKDKBSSA-N 318.373 2.867 5 1 DFBF O=c1[nH]c2ccccc2c2cn(-c3ccc([N+](=O)[O-])cc3)nc12 28710890 FWRCGWZCYORBRR-UHFFFAOYSA-N 306.281 2.775 5 1 DFBF Cc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1F 587273959 LSMHIZWATZKNCQ-VIFPVBQESA-N 303.297 2.919 5 1 DFBF O[C@@H]1Cc2c(cc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O 2000981 GFANZDFKCCJYRF-NSISKUIASA-N 304.345 2.895 5 1 DFBF in-vivo CC(C)OC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl 2027761 CLEZKFSFOIPVKH-QMMMGPOBSA-N 315.709 2.745 5 1 DFBF CN(C)CCNc1ccc2ncn3c4ccc(F)cc4c(=O)c1c23 101446249 WAIGLWXPISVSSN-UHFFFAOYSA-N 324.359 2.551 5 1 DFBF C[n+]1c2ccccc2nc2ccc(N[C@H]3CCCC[C@H]3N)cc21 4172229 ZMIBXBIHMRRMMU-CABCVRRESA-O 307.421 2.894 5 1 DFBF Nc1c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cnc2c(F)cccc12 587176234 IQGAAHMMHUDAHZ-UHFFFAOYSA-N 324.275 2.803 5 1 DFBF O=[N+]([O-])c1ccc2c(c1)CN1CN2Cc2cc([N+](=O)[O-])ccc21 103179878 QJICIULHMZNJGB-UHFFFAOYSA-N 312.285 2.801 5 1 DFBF CC(=CCc1c(O)ccc2oc3cccc(O)c3c(=O)c12)CO 2356598681 XMSYJERBDQKBHO-UHFFFAOYSA-N 312.321 2.839 5 1 DFBF c1cnc2c(c1)c1nc(C[C@H]3COCCO3)[nH]c1c1cccnc12 586908950 DBSNZKRAGVCBMX-NSHDSACASA-N 320.352 2.617 5 1 DFBF CCn1cc2c(=O)ncnc-2c2ccc(-c3ccncc3)cc21 5848387 WHTPUOOAEJANJH-UHFFFAOYSA-N 302.337 2.978 5 1 DFBF C/C(=C\Cc1cccc2nc3cccc(C(=O)O)c3nc12)CO 169312184 VJNPRSAWVPWWEV-DHZHZOJOSA-N 308.337 2.962 5 1 DFBF Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1cccs1 72177593 JKRYRPKUCCBKEH-PORFMDCZSA-N 321.358 2.806 5 1 DFBF O=C(Cc1ccc([N+](=O)[O-])cc1)c1cn(Cc2ccccc2)nn1 96932335 JBIYIBUVDLASBG-UHFFFAOYSA-N 322.324 2.660 5 1 DFBF Cc1oc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)cc1[N+](=O)[O-] 587268834 LWENYYKZPULOOR-LBPRGKRZSA-N 301.262 2.763 5 1 DFBF C[N+](C)(C)CCOCC(O)(c1ccccc1)c1ccccc1 299818177 YNQCRPHIEPRITF-UHFFFAOYSA-N 300.422 2.645 5 1 DFBF Nc1nc(N)c2c(Sc3ccc([N+](=O)[O-])cc3)cccc2n1 5974278 NEWZPONDNWYDGT-UHFFFAOYSA-N 313.342 2.854 5 1 DFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(F)c(F)c2[nH]1 587274943 XHZMDPVFWJWQJT-SSDOTTSWSA-N 307.260 2.750 5 1 DFBF COC[C@@H](C)Nc1cc(-c2ccc(C)c([N+](=O)[O-])c2)ncn1 82162352 GCGKNTMXWCMWHY-LLVKDONJSA-N 302.334 2.807 5 1 DFBF Nc1c(F)c(F)cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1F 587136299 GBALVPHHYRREHM-UHFFFAOYSA-N 309.207 2.533 5 1 DFBF Nc1ncc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1[N+](=O)[O-] 587267629 BXEHBAKJGBMOPX-UHFFFAOYSA-N 307.672 2.908 5 1 DFBF Cc1ccc(OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])n1 21685808 KDJZMDIWLKLBRR-UHTWSYAYSA-N 321.377 2.618 5 1 DFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(O)cc2[nH]1 587270497 ZYOTUSLTDRWKNC-UHFFFAOYSA-N 313.269 2.568 5 1 DFBF C[C@@H](N=c1nc(O)c2nc3ccccc3nc2[nH]1)c1ccccc1 1857759472 DSWBMFFFLDFEPV-LLVKDONJSA-N 317.352 2.874 5 1 DFBF CC(C)CCC[C@H](C)C(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 12496865 QBYXBONNCVATNQ-KBPBESRZSA-O 302.435 2.542 5 1 DFBF endogenous,in-man COC(=O)c1c(C)n2c3ccccc3c(=O)n2c2ccccc12 1911579428 AWZGWNFMIBQSOP-UHFFFAOYSA-N 306.321 2.800 5 1 DFBF CN(C)CCCCNC(=O)c1cccc2nc3ccccc3nc12 27901945 CCCMHMLPKATCSA-UHFFFAOYSA-N 322.412 2.855 5 1 DFBF Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2ncnc(N3CCCC3)c21 58599376 LSSORZCRELYSLQ-UHFFFAOYSA-N 324.344 2.539 5 1 DFBF COCc1c(OC)cc(OC)c2c(=O)c3ccccc3n(C)c12 40847105 PVLDRAMAPJYLBD-UHFFFAOYSA-N 313.353 2.855 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(Cl)ccnc2[nH]1 587267652 OMRIDGHUWNDMBK-ZETCQYMHSA-N 306.713 2.634 5 1 DFBF CC(C)CCC[C@@H](C)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 12496868 QBYXBONNCVATNQ-ZIAGYGMSSA-O 302.435 2.542 5 1 DFBF endogenous,in-man c1ccc2nc3cc4[nH]c(C[C@@H]5COCCO5)nc4cc3nc2c1 586909948 KJSQHLDNSKOMAR-LLVKDONJSA-N 320.352 2.617 5 1 DFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(C(C)(C)C)nc2[nH]1 587275033 ZVFWGLCWSFOWGT-UHFFFAOYSA-N 314.349 2.717 5 1 DFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(F)cc2[nH]1 587267637 CEGGBBBVZSZPOL-UHFFFAOYSA-N 303.297 2.978 5 1 DFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(F)c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263124 KAYNZKAXYLNNHV-HLTSFMKQSA-N 323.299 2.502 5 1 DFBF COc1cc(-c2nc3c(C)ccnc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261120 UZQSWMBVWKTZBT-UHFFFAOYSA-N 314.301 2.859 5 1 DFBF CN(C)c1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12 199793627 WFHZYBFCMRASIM-UHFFFAOYSA-N 323.356 2.517 5 1 DFBF C[C@]12N=NN(c3ccc([N+](=O)[O-])cc3)[C@]1(O)c1ccccc1C2=O 5846743 HWKUFLVWLDCUGM-CVEARBPZSA-N 324.296 2.582 5 1 DFBF CCCCNc1nc(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2s1 96910790 DXTUIEVAXMGWAJ-UHFFFAOYSA-N 324.318 2.685 5 1 DFBF Cc1c(F)ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 587265269 VIRATRMFZGPTEP-LSJOCFKGSA-N 319.336 2.671 5 1 DFBF Cc1oc(-c2nc3nc(Br)c[nH]c-3n2)cc1[N+](=O)[O-] 587269607 VOQAOBMKJPFWOP-UHFFFAOYSA-N 324.094 2.544 5 1 DFBF CC(=O)N1N=C(c2ccc(C)cc2)O[C@H]1c1ccc([N+](=O)[O-])o1 96913466 VIGIDYVIGKGRNR-HNNXBMFYSA-N 315.285 2.735 5 1 DFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Cl)nc2[nH]1 587277578 YURIRWSGIYMRPO-SSDOTTSWSA-N 306.713 2.520 5 1 DFBF CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc([N+](=O)[O-])cc1 13473549 UAUGXTSXZYQOLS-ZIAGYGMSSA-N 312.391 2.559 5 1 DFBF COC[C@H](C)Nc1cc(-c2ccc(C)c([N+](=O)[O-])c2)ncn1 82162351 GCGKNTMXWCMWHY-NSHDSACASA-N 302.334 2.807 5 1 DFBF NCCCn1c2cc(=O)c(=O)cc-2sc2ccc(Cl)cc21 5162061 FOIPWUQXKDKYMY-UHFFFAOYSA-N 320.801 2.530 5 3 DFBF in-vitro Cc1c(CC(N)=O)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1 13446068 HUGWWHHXJSCRIU-UHFFFAOYSA-N 323.352 2.934 5 1 DFBF O=C(O)c1cccc(Sc2ccc([N+](=O)[O-])c3nonc23)c1 299827956 PHOIPQPIYYJIGS-UHFFFAOYSA-N 317.282 2.980 5 1 DFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Cl)ccnc2[nH]1 587277580 YVHGFTGMZZQBQL-SSDOTTSWSA-N 306.713 2.520 5 1 DFBF Cc1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 587264634 OUKLZUMNENDRMP-NSHDSACASA-N 312.329 2.728 5 1 DFBF Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)N3CCCC3)cc12 653793658 JNVKCNJAACGUID-UHFFFAOYSA-N 324.336 2.563 5 1 DFBF C[N+](C)(C)C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651096 WRDVERFTHAFAES-SFHVURJKSA-N 310.417 2.994 5 1 DFBF C[N+]1([O-])CCc2cc3c(c4c2[C@H]1Cc1cccc(O)c1-4)OCO3 14683242 KBLBAGBORDBOPT-ISGGMURCSA-N 311.337 2.886 5 1 DFBF O=[N+]([O-])c1cc(NC(=S)c2ccc(O)cc2O)ccc1F 103293573 VGXPHMSXASNFQK-UHFFFAOYSA-N 308.290 2.933 5 1 DFBF O=[N+]([O-])c1ccc(Cc2nc3cc(F)cnc3[nH]2)c([N+](=O)[O-])c1 587265818 XMNNQDHHJDGLAU-UHFFFAOYSA-N 317.236 2.504 5 1 DFBF COC(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c1 587268589 FYUKHXYPIBENEK-UHFFFAOYSA-N 301.258 2.826 5 1 DFBF O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)cnc2[nH]1 587268873 MQGSJFJANKKUPE-UHFFFAOYSA-N 304.697 2.527 5 1 DFBF Nc1cc(F)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1N 587136653 IAAGKFMNORUJGT-UHFFFAOYSA-N 305.244 2.581 5 1 DFBF O=c1c2cc3cc(Cl)ccc3nc2ncn1N1CCCCC1 203467144 DQLIFUJOGFBBME-UHFFFAOYSA-N 314.776 2.720 5 3 DFBF COc1c(N)c2c3c(cc4ccccc4c3c1OC)NC(=O)C2=O 198728705 MOPQXOKPRKUOGM-UHFFFAOYSA-N 322.320 2.727 5 1 DFBF Cc1cc2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc2c(C)n1 587270903 TWILVYDMOGFSPQ-ZDUSSCGKSA-N 311.345 2.725 5 1 DFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cnc(Cl)[nH]c-2n1 587159800 ZJDAUAMERSUXJR-UHFFFAOYSA-N 323.671 2.584 5 1 DFBF CCN(CC)CCC/N=c1\c([N+](=O)[O-])c(O)oc2ccccc12 104066420 YODXBZKZEGABAE-VKAVYKQESA-N 319.361 2.679 5 1 DFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(O)c2[nH]1 587270458 YPXXITYWBKNHLR-UHFFFAOYSA-N 313.269 2.568 5 1 DFBF CSc1ccc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587276903 OQVUVZGDFODVOF-QMMMGPOBSA-N 303.347 2.999 5 1 DFBF Cc1cc2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc2c(C)n1 587268350 SNZAKFLGIMWVLB-UHFFFAOYSA-N 314.349 2.851 5 1 DFBF Oc1nn2cnnc2c2c1sc1c(Br)cccc12 103172078 VLPZMKMYONGYMV-UHFFFAOYSA-N 321.159 2.960 5 1 DFBF Cc1cc2[nH]c(-c3cc(N)c(N)cc3F)nc2cc1[N+](=O)[O-] 587136710 JNUPWGBQHVEWOD-UHFFFAOYSA-N 301.281 2.750 5 1 DFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Cl)ccnc2[nH]1 587277581 YVHGFTGMZZQBQL-ZETCQYMHSA-N 306.713 2.520 5 1 DFBF O=[N+]([O-])c1cccc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 473083162 MWWIBOHTKBNZRF-UHFFFAOYSA-N 311.257 2.751 5 1 DFBF COCCNc1ccc(-c2nc3cnccc3[nH]2)cc1[N+](=O)[O-] 587264244 FAJHFRLTEVQDTH-UHFFFAOYSA-N 313.317 2.591 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N)c([N+](=O)[O-])c1)O2 587388636 DYSOYVBACFTWET-HNNXBMFYSA-N 313.313 2.774 5 1 DFBF Cc1[nH]cnc1Cn1ccc2c(O)cc3ccccc3c2c1=O 13422 WMRDGUIDQJIPCQ-UHFFFAOYSA-N 305.337 2.940 5 1 DFBF Nc1cccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1C(=O)O 587248075 BWGCHRCKQHVDHY-UHFFFAOYSA-N 316.248 2.558 5 1 DFBF O=[N+]([O-])c1ccc(OCc2nc3c(Cl)ncnc3[nH]2)cc1F 587152235 YGSUUIZUHMHOBG-UHFFFAOYSA-N 323.671 2.633 5 1 DFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cncc(Cl)c2[nH]1 587267946 JNMYPCZBMWKTJT-UHFFFAOYSA-N 320.740 2.888 5 1 DFBF CSc1ccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587276901 OQVUVZGDFODVOF-MRVPVSSYSA-N 303.347 2.999 5 1 DFBF C/C(=C\Cc1c(O)ccc2oc3cccc(O)c3c(=O)c12)CO 146286060 XMSYJERBDQKBHO-BJMVGYQFSA-N 312.321 2.839 5 1 DFBF O=C(O)c1ccccc1/C=C/c1nc2cncc([N+](=O)[O-])c2[nH]1 586878272 BXNJHMVYHYYWEA-AATRIKPKSA-N 310.269 2.735 5 1 DFBF Cc1oc2c(c1-c1nc3cc([N+](=O)[O-])cnc3[nH]1)C(=O)CCC2 586903286 ICXLJPOHYTYSGU-UHFFFAOYSA-N 312.285 2.954 5 1 DFBF NCCNCCNc1nc2ccccc2c2[nH]c3ccccc3c12 45392436 LJLNSIMDSQDUDJ-UHFFFAOYSA-N 319.412 2.830 5 1 DFBF Cc1c(F)ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 587265270 VIRATRMFZGPTEP-MIMYLULJSA-N 319.336 2.671 5 1 DFBF N[C@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1c1ccccc1F 587156052 LHLKIIXMBGDMGU-QLJPJBMISA-N 312.304 2.952 5 1 DFBF COCCOc1ccc(-c2nc3cccnc3[nH]2)cc1[N+](=O)[O-] 587266463 YKUJKKXADHYWNR-UHFFFAOYSA-N 314.301 2.558 5 1 DFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(O)c2[nH]1 587268480 ZUIUFZJRICTBLJ-UHFFFAOYSA-N 301.306 2.545 5 1 DFBF CCn1c(NCc2ccc(Cl)nc2)c([N+](=O)[O-])sc1=N 103292444 VBTRLJYCGCZYPR-UHFFFAOYSA-N 313.770 2.618 5 1 DFBF CNc1ccccc1-c1nc2cc([N+](=O)[O-])ccc2n(C)c1=O 175741 VDJDWDCEBSJHIC-UHFFFAOYSA-N 310.313 2.550 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1O)O2 587389280 KFJXBSLHOOOLHR-HNNXBMFYSA-N 314.297 2.898 5 1 DFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ncc2[nH]1 587270831 RHGHVJGQTVNDDU-JTQLQIEISA-N 317.736 2.762 5 1 DFBF CC1(C)Oc2c(ccc3c(=O)c4ccccc4oc23)[C@@H](O)[C@H]1O 13382561 NBRJYCDRCSSZRX-RHSMWYFYSA-N 312.321 2.512 5 1 DFBF biogenic CCCCOc1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1 169321106 KGVKBAGPAPFGDU-UHFFFAOYSA-N 312.325 2.725 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c(Cc3c(F)cncc3Cl)nc2c1 587175806 IAHXLQZHUIIYIA-UHFFFAOYSA-N 307.672 2.644 5 1 DFBF Cc1cc2[nH]c(-c3c(N)cccc3C(=O)O)nc2cc1[N+](=O)[O-] 587250885 UXBHJEJANQGLAK-UHFFFAOYSA-N 312.285 2.727 5 1 DFBF COc1cc(OC)c2cc([N+](=O)[O-])c3ccc(=O)oc3c2c1 14720521 JCSOGKXUTVKYKX-UHFFFAOYSA-N 301.254 2.872 5 1 DFBF biogenic Cn1c2ccccc2c2cc(C(=O)NCCO)c3ncccc3c21 96921194 CYTFCSXIAJLZGE-UHFFFAOYSA-N 319.364 2.602 5 1 DFBF COc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1Cl 587267578 AFQQCGPCQCCLEF-UHFFFAOYSA-N 319.708 2.777 5 1 DFBF CCCCOc1cc(NC(C)=O)c([N+](=O)[O-])cc1C(=O)OC 40956586 UXIKKIPJILAONX-UHFFFAOYSA-N 310.306 2.519 5 1 DFBF Cc1nccc2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc12 587270352 VUQHEZUUXCINHB-UHFFFAOYSA-N 312.285 2.566 5 1 DFBF Cc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12 5159816 DGOQVGSGBATEPX-UHFFFAOYSA-N 307.397 2.988 5 1 DFBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(CCO)cc3[nH]2)c1 587160356 PMIGMHDQTFNQKR-UHFFFAOYSA-N 301.277 2.812 5 1 DFBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ncc[nH]c-2n1 587109007 FPDAGYRZRBOUHB-UHFFFAOYSA-N 323.234 2.822 5 1 DFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(F)c(F)cc2[nH]1 587274929 WYCOVMXNQNDUQG-SSDOTTSWSA-N 307.260 2.750 5 1 DFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cncc(Cl)c2[nH]1 587275305 BPGIBMPNVZLUTC-SSDOTTSWSA-N 306.713 2.520 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(Cl)ccnc2[nH]1 587267651 OMRIDGHUWNDMBK-SSDOTTSWSA-N 306.713 2.634 5 1 DFBF O=[N+]([O-])c1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1Cl 586889742 GTCIPYCVGIYVCJ-ZDUSSCGKSA-N 319.704 2.912 5 1 DFBF O=C1c2ccccc2[C@@]2(c3cccc([N+](=O)[O-])c3)SCCN12 6583026 KIKNGMWNLLPEJJ-MRXNPFEDSA-N 312.350 2.999 5 1 DFBF O=[N+]([O-])c1ccc2oc(-c3ccc4c(O)nc(O)nc4n3)cc2c1 587555082 NLDWJVRKERYODK-UHFFFAOYSA-N 324.252 2.757 5 1 DFBF CC1(C)Oc2c(ccc3c(=O)c4c(O)cccc4oc23)C[C@H]1O 13434289 WBOOENSBPJRUBR-CYBMUJFWSA-N 312.321 2.726 5 1 DFBF biogenic COc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cn1 587159603 UIQZZGVBDUQVIT-UHFFFAOYSA-N 318.264 2.593 5 1 DFBF Cc1nn2c(=O)c([N+](=O)[O-])c(/C=C/c3ccccc3)nc2s1 6494208 KUKRMQJSPWMSRF-BQYQJAHWSA-N 314.326 2.538 5 1 DFBF CC/C=C\C/C=C\CC[C@@H](O)CNC(=O)CCC[N+](C)(C)C 49066437 QYFDYRHORFAECH-SVCKQPKZSA-O 311.490 2.643 5 1 DFBF O=[N+]([O-])c1cccc(Cn2cc(COc3ccccc3)nn2)c1 653811106 KYYQDEDBZANFQC-UHFFFAOYSA-N 310.313 2.814 5 1 DFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cccc(F)c2[nH]1 587265357 PDGFSOGOXZAODK-JTQLQIEISA-N 316.292 2.558 5 1 DFBF COc1c(O)cc2oc3oc4cc(O)ccc4c3c(=O)c2c1O 14858462 CFHFUHISZSGRFT-UHFFFAOYSA-N 314.249 2.818 5 1 DFBF biogenic COc1cc2c3c(cc4ccc(O)cc4c3c1O)NC(=O)C2=O 14824355 ZCCUITVINPUAST-UHFFFAOYSA-N 309.277 2.548 5 1 DFBF biogenic O=[N+]([O-])c1ccc(NC(=S)OCCc2ccncc2)cc1 40893826 UOVCJSNHBFVXCB-UHFFFAOYSA-N 303.343 2.946 5 1 DFBF COc1ccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)cc1 98085377 FQQVQRKYFCMEFK-UHFFFAOYSA-N 316.324 2.829 5 1 DFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cccc(O)c2[nH]1 587159750 WUNSMEIBUZSSNB-UHFFFAOYSA-N 303.249 2.895 5 1 DFBF COc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1C 587274519 PRZCLDGZTRRPMU-JTQLQIEISA-N 315.333 2.788 5 1 DFBF COc1cc(OC)c2c(=O)c3cc(OC)c(OC)cc3oc2c1 5665179 SGQWQUYTTYVSBS-UHFFFAOYSA-N 316.309 2.981 5 1 DFBF biogenic COC(=O)c1cc([N+](=O)[O-])c(NC(C)=O)cc1OC1CCCC1 40430371 OEVPCFSIXZACPC-UHFFFAOYSA-N 322.317 2.661 5 1 DFBF O=C(Cc1sc(O)nc1O)c1coc2cc([N+](=O)[O-])ccc12 587280761 XXYGQPZDHVNCQL-UHFFFAOYSA-N 320.282 2.634 5 1 DFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262961 IMCIRQSOEXEXTP-DVVUODLYSA-N 321.764 2.877 5 1 DFBF COc1ccc(-c2noc(C[C@H]3C[N+]4(C)CCC3CC4)n2)cc1 1857573355 DMHUSMLZUDAECG-FDTVQSNTSA-N 314.409 2.774 5 1 DFBF C[C@@H](Sc1ncccn1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586963722 NVHACXCMDDVZGE-SSDOTTSWSA-N 302.319 2.509 5 1 DFBF COc1cc(O)c2c(=O)c3c(OC)cc(OC)cc3oc2c1 14764542 JBSFSRSYBUWRRZ-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic COc1cc2oc3ccc(O)cc3c(=O)c2c(OC)c1OC 3782684 PLTRADDVONOEAX-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic,in-vitro COc1cc2c(=O)c3c(OC)cccc3oc2c(O)c1OC 238757115 CMGCYAFXSZGXDT-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF Cc1ccc(-c2cc(NC[C@H]3CCCO3)ncn2)cc1[N+](=O)[O-] 82162088 ZWRYWRJGNCJPTM-CYBMUJFWSA-N 314.345 2.951 5 1 DFBF COc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1F 587266782 AMBLKLSPTIWILS-QMMMGPOBSA-N 319.296 2.733 5 1 DFBF Cc1c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)oc2c1[C@H](O)CCC2 586902637 DVHMAYGLOABNRJ-SNVBAGLBSA-N 314.301 2.804 5 1 DFBF CNC(=O)[C@H]1C[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587236595 YEFLHAADCTZLDO-UWVGGRQHSA-N 317.352 2.509 5 1 DFBF CN(C)Cc1ccc(CSCCNc2[nH]ccc2[N+](=O)[O-])o1 101305343 DHYIGZBRHRKUJI-UHFFFAOYSA-N 324.406 2.923 5 1 DFBF COc1ccc(O)n1-c1cccc(Br)c1[N+](=O)[O-] 587935643 DSZITOZIIDBTOM-UHFFFAOYSA-N 313.107 2.862 5 1 DFBF CCC(CC)Oc1cc([N+](=O)[O-])ccc1N(C)S(C)(=O)=O 13682024 ZEOSZTYOBIHDEK-UHFFFAOYSA-N 316.379 2.558 5 1 DFBF CN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 27625200 WSTHWQXSLJDJMX-HUUCEWRRSA-N 305.378 2.540 5 1 DFBF Cc1[nH]nc(SCC(=O)N2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] 6621856 GORJGTYUOIKACE-RKDXNWHRSA-N 312.395 2.508 5 1 DFBF N[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C1CC1 587255525 JLWFPJFWGISIMB-SECBINFHSA-N 311.139 2.643 5 1 DFBF O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 27559114 CUTGTLQNQRUVGL-UHFFFAOYSA-N 309.281 2.898 5 1 DFBF CCOC(=O)[C@H](C[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 299824200 BEOUNFQWFPIINM-SNVBAGLBSA-N 307.224 2.509 5 1 DFBF O=[N+]([O-])c1ccc(OCc2nc3nc(Cl)c[nH]c-3n2)cc1F 587149504 HPEQVXGTILQZDC-UHFFFAOYSA-N 323.671 2.584 5 1 DFBF O=[N+]([O-])c1cccc(-c2nnc3ccc(N4CCCCC4)nn23)c1 3818004 JEYOQYMSSQZLJL-UHFFFAOYSA-N 324.344 2.690 5 1 DFBF CCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2ccccc21 39286254 MEJHPJJUXZFFTH-UHFFFAOYSA-N 317.348 2.672 5 1 DFBF O=[N+]([O-])c1ccc(CNc2cc(Cl)nc3ccnn23)cc1 40895917 ZGQJODSAGCOFGG-UHFFFAOYSA-N 303.709 2.903 5 1 DFBF O=C1O/C(=C/c2nc3cc([N+](=O)[O-])cnc3[nH]2)c2ccccc21 586905771 BLJZUWDKDNSWFU-WUXMJOGZSA-N 308.253 2.535 5 1 DFBF Cc1c(F)ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587274558 QALUYMALNOGTFQ-MRVPVSSYSA-N 303.297 2.919 5 1 DFBF O=c1oc(Oc2ccccc2)nn1Cc1cccc([N+](=O)[O-])c1 473134440 CIWWJOCCTQXUNF-UHFFFAOYSA-N 313.269 2.585 5 1 DFBF Nc1nc(COC(=O)c2cccc([N+](=O)[O-])c2Cl)cs1 73199163 YYZCNTQKXHOWFD-UHFFFAOYSA-N 313.722 2.644 5 1 DFBF CC(C)Cc1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1 1857769854 DGVDZGOAEAJWPC-UHFFFAOYSA-N 312.325 2.820 5 1 DFBF COC(=O)c1cc(OC)c2c(=O)c3c(O)cc(C)cc3oc2c1 206814832 ZBJMNXXNKCWWHA-UHFFFAOYSA-N 314.293 2.755 5 1 DFBF CCn1ncc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1F 587280416 WJZJTBOUJGMCRG-UHFFFAOYSA-N 303.249 2.928 5 1 DFBF O=C(Cc1ccccc1)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 36476082 TUOJMLAGXDTWBW-UHFFFAOYSA-N 301.258 2.684 5 1 DFBF O=[N+]([O-])c1cc(/C=C\c2nc3c(O)ncnc3[nH]2)ccc1Cl 587049208 IVYTYCLEIMSXBM-RQOWECAXSA-N 317.692 2.791 5 1 DFBF N[C@@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccccc1Cl 587057538 BFLJKLGKILAHPI-NSHDSACASA-N 317.736 2.762 5 1 DFBF Cc1cnc(Cl)c2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc12 587276836 NXFBOTFOCWNMST-QMMMGPOBSA-N 320.740 2.828 5 1 DFBF COc1c(OC)c2c(=O)cc(C)oc2c2c(OC)cc(O)cc12 53313733 IVCVGQQCLNGDIY-UHFFFAOYSA-N 316.309 2.986 5 1 DFBF COc1cc(OCc2nc3ccc(C)nc3[nH]2)ccc1[N+](=O)[O-] 587262681 ZIGOGRHTAKMXBL-UHFFFAOYSA-N 314.301 2.762 5 1 DFBF COc1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587267979 UVBWUPCMTAHOJI-SECBINFHSA-N 301.306 2.594 5 1 DFBF Cc1ccnc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)n1 587646527 DXLZPDBPXJJIOL-UHFFFAOYSA-N 311.301 2.735 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 587084200 JFBXMPNGNFNZCN-UHFFFAOYSA-N 315.720 2.994 5 1 DFBF COc1cccc(OC)c1-c1nnc(-c2cc([N+](=O)[O-])c[nH]2)o1 103281405 AWQIANJGAYRDOU-UHFFFAOYSA-N 316.273 2.657 5 1 DFBF O=C1Nc2cc3ccc(O)cc3c3c4c(cc(c23)C1=O)OCO4 14824340 QTUOOWLAKCKQHG-UHFFFAOYSA-N 307.261 2.562 5 1 DFBF biogenic CCCCCCNC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 35323644 OYFVLSLAWJHASM-UHFFFAOYSA-N 317.345 2.955 5 1 DFBF O=[N+]([O-])c1ccccc1[C@H]1C2=C(O)CCCC2=Nc2ncnn21 103963802 JXWHCDQCJNLXRH-AWEZNQCLSA-N 311.301 2.858 5 1 DFBF COc1cc2oc3cccc(O)c3c(=O)c2c(OC)c1OC 238774771 ZEUUVUSEISGRRF-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF CN(c1ccc([N+](=O)[O-])cc1Oc1ccccc1)S(C)(=O)=O 13492113 ZAZJDLIOZBAKOZ-UHFFFAOYSA-N 322.342 2.783 5 1 DFBF O=c1c2cc(Cl)ccc2cnn1-c1cccc([N+](=O)[O-])c1 587652274 AZJCQTXLPLADRX-UHFFFAOYSA-N 301.689 2.947 5 1 DFBF CCCCCCOc1cc([N+](=O)[O-])ccc1NS(C)(=O)=O 13682026 ZYLWBHCVEZSQJB-UHFFFAOYSA-N 316.379 2.925 5 1 DFBF in-vivo CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1n[nH]c(=S)o1 103215679 AODXDBZIYYVPRA-JTQLQIEISA-N 322.346 2.767 5 1 DFBF O=C(O)/C=C/c1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586880192 ORAXTEKKOFUZMB-AATRIKPKSA-N 310.269 2.631 5 1 DFBF C[C@@H](c1nc2cc(F)c(F)c(F)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276098 JCOXZUJMMMTVCH-YFKPBYRVSA-N 311.223 2.694 5 1 DFBF Cn1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)n1 587646593 WSLNYJNBBBBYAX-UHFFFAOYSA-N 320.255 2.924 5 1 DFBF CS(=O)(=O)/C=C\c1nc2c3cccnc3c3ncccc3c2[nH]1 586924642 DLLKKDZAPVJYOH-TWGQIWQCSA-N 324.365 2.675 5 1 DFBF Cn1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C(F)(F)F)c1 587114950 AMGUIOCIOQFZSK-UHFFFAOYSA-N 311.223 2.890 5 1 DFBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-n1nc([N+](=O)[O-])cc1C 587647305 FQDYSHXSFHBOKZ-UHFFFAOYSA-N 301.262 2.787 5 1 DFBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3CCOC3)[nH]c12 586913040 ZMFZHZHVVTYOII-ZCFIWIBFSA-N 312.123 2.738 5 1 DFBF Cc1cc([N+](=O)[O-])c(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 1629950 USGVKCGDCYHOQZ-UHFFFAOYSA-N 322.298 2.644 5 1 DFBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587159996 BAECYJCXZFYZOU-UHFFFAOYSA-N 303.209 2.580 5 1 DFBF O=[N+]([O-])c1cc(Cl)cc(-c2ccc3c(O)nc(O)nc3n2)c1 587368865 QHZLVPWVGKOGEY-UHFFFAOYSA-N 318.676 2.665 5 1 DFBF CCCCc1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1 27636763 ZEXLQJRINFSXNO-UHFFFAOYSA-N 312.325 2.964 5 1 DFBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(O)nncc3[nH]2)o1 587264710 JXJOTTBLDNDWRR-UHFFFAOYSA-N 323.268 2.894 5 1 DFBF COc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(OC)c1C 587788253 TUGWPCZLNKKBEO-UHFFFAOYSA-N 314.301 2.859 5 1 DFBF Cc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587261599 CMZBWFZGVRRRGO-SDDRHHMPSA-N 301.346 2.532 5 1 DFBF CC[C@@H](C(=O)Oc1cc(C)[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 4248398 OFWQLUDVEHPBNY-GFCCVEGCSA-N 316.313 2.691 5 1 DFBF Cc1cnc(Cl)c2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc12 587267730 PMGLHBZFOJJQGI-MRVPVSSYSA-N 320.740 2.942 5 1 DFBF Cn1cc2c(cc1=O)-c1nc3ccccc3c3ccnc(c13)C2=O 1590285 GPJKOFLDDKEODA-UHFFFAOYSA-N 313.316 2.693 5 1 DFBF biogenic O=C(c1ccc(OCCCc2c[nH]cn2)c([N+](=O)[O-])c1)C1CC1 27311079 MBIRMGPKMFGEKU-UHFFFAOYSA-N 315.329 2.922 5 1 DFBF O=[N+]([O-])c1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2ncnn21 103963797 JXWHCDQCJNLXRH-CQSZACIVSA-N 311.301 2.858 5 1 DFBF O=C(O)c1cc(NCc2cccc([N+](=O)[O-])c2)cc(C(=O)O)c1 98209078 OJGIZUUIUXRITB-UHFFFAOYSA-N 316.269 2.603 5 1 DFBF in-vitro CC1(C)OC(C)(C)c2nc(-c3ccc([N+](=O)[O-])cc3)nnc21 27551014 SONKPOICAUGCGQ-UHFFFAOYSA-N 300.318 2.947 5 1 DFBF Cc1cc([N+](=O)[O-])cnc1-n1ncc2ccc(Cl)cc2c1=O 587653402 VIBGHHPVANDPHU-UHFFFAOYSA-N 316.704 2.651 5 1 DFBF Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c1 15208236 MFUBOBPMTYMVDX-UHFFFAOYSA-N 321.358 2.603 5 1 DFBF COc1cc(OCc2nc3cc(F)cnc3[nH]2)ccc1[N+](=O)[O-] 587263157 NMTCNIOEPGVGBA-UHFFFAOYSA-N 318.264 2.593 5 1 DFBF Cc1ccnc2c1CCN[C@@]2(C)C(=O)c1ccc([N+](=O)[O-])cc1 963065313 CYUVBEJJEPFUDJ-QGZVFWFLSA-N 311.341 2.542 5 1 DFBF O=C(CCCCCCNc1ncnc2ccc(F)cc12)NO 206981292 FMRRKIJLNAMNDY-UHFFFAOYSA-N 306.341 2.637 5 1 DFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(F)cc2[nH]1 587264725 INORDFKVWNYVIE-JTQLQIEISA-N 316.292 2.558 5 1 DFBF CSC1=N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(O)OCC2=N1 15763 FEXKPNPFAQYTIZ-NSHDSACASA-N 305.315 2.609 5 1 DFBF CC(C)(CN)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 64549587 IPJLUAGVDVCCQR-UHFFFAOYSA-N 314.364 2.612 5 1 DFBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(F)c(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587265229 VAANQOPCVKCQMK-IWSPIJDZSA-N 323.299 2.502 5 1 DFBF Cc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1F 587274068 RYKRGIDWTLWYJT-UHFFFAOYSA-N 303.297 2.748 5 1 DFBF CC[C@]1(c2cccc([N+](=O)[O-])c2)OC[C@H]([C@@H]2CCCCN2)O1 13453462 NVVWFBWMZLNBAK-XHSDSOJGSA-N 306.362 2.715 5 1 DFBF C[C@H](CO)CCc1ccc2c(=O)c3c(O)cccc3oc2c1O 15115251 OJJLNFKFRQMYMQ-JTQLQIEISA-N 314.337 2.918 5 1 DFBF biogenic CS[C@@]1(Cc2ccccn2)C(=O)Nc2cccc([N+](=O)[O-])c21 1653658 UHHWDYRLXCGJSV-OAHLLOKOSA-N 315.354 2.743 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccnc(Cl)c2[nH]1 587267417 JXQWSCRJEFDGMX-ZETCQYMHSA-N 306.713 2.634 5 1 DFBF COc1c(F)ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1N 587132494 CCHYAZYVZKCIGQ-UHFFFAOYSA-N 302.265 2.868 5 1 DFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Cl)c(F)cc2[nH]1 587273227 GCIMXLIQGVSBSH-UHFFFAOYSA-N 309.688 2.817 5 1 DFBF O=C(O)C(=Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 1857626306 QMXRAGWVFVHMHK-UHFFFAOYSA-N 313.265 2.949 5 1 DFBF COc1ccc(-c2n[nH]c(-c3ccnc(C)c3)n2)cc1[N+](=O)[O-] 3817572 ZHCKPBKNEQACID-UHFFFAOYSA-N 311.301 2.759 5 1 DFBF COc1cc2oc3ccc(C(=O)O)cc3c(=O)c2cc1OC 169322628 NQZZMMVWNJYZIE-UHFFFAOYSA-N 300.266 2.662 5 1 DFBF O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 13685539 JYXHNHBKWZQGLB-UHFFFAOYSA-N 323.308 2.575 5 1 DFBF in-vivo Cn1nc([N+](=O)[O-])cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587274839 NOZHWKZFLJMUGD-UHFFFAOYSA-N 313.104 2.573 5 1 DFBF C[C@@H]1CCC(=O)[C@H](C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O 103273284 GLBIUMDUJIGJPT-KRTXAFLBSA-N 309.705 2.615 5 1 DFBF Cc1c(-c2nc3c(S)nc(S)nc3[nH]2)cccc1[N+](=O)[O-] 587262824 YIGDWZHMKQUOAL-UHFFFAOYSA-N 319.371 2.814 5 1 DFBF O=C1C[C@@H](c2nc[nH]c2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587514352 XEIUVPJFTYGJPT-ZDUSSCGKSA-N 313.313 2.903 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c([C@H](O)c3ccccc3Cl)nc2c1 587058421 GEJXRRGAJDQJNM-LLVKDONJSA-N 304.693 2.601 5 1 DFBF COc1c(F)ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1N 587133524 RNOREKJURJLIRG-UHFFFAOYSA-N 302.265 2.868 5 1 DFBF C[C@@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)cc1 96929042 XPRNKSCDBLSGRL-LJJSCBMDSA-N 307.737 2.996 5 1 DFBF Cc1cc2[nH]c(CS(=O)(=O)C3CCCC3)nc2cc1[N+](=O)[O-] 586924646 SMUXUGUBXXFZFB-UHFFFAOYSA-N 323.374 2.637 5 1 DFBF O=[N+]([O-])c1cncc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 587087556 DKSWQWHEXCKHOM-ZETCQYMHSA-N 309.276 2.616 5 1 DFBF Cc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1nc2ccccc2[nH]1 5891816 PLMDZCGWTYVBAF-UHFFFAOYSA-N 302.315 2.619 5 1 DFBF CNCCNc1nc2cc3ccccc3cc2n2c(C)cnc12 1911476 CTEHMRUJZDTSPT-UHFFFAOYSA-N 305.385 2.975 5 1 DFBF Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(F)cc1 930670 AVMFONYVNFGJAW-UHFFFAOYSA-N 313.288 2.801 5 3 DFBF N=C(N)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587270293 LLXWRIBZXTVMSG-UHFFFAOYSA-N 309.329 2.540 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c([N+](=O)[O-])c1)O2 587390961 TTXKDDUPVGMHLP-OAHLLOKOSA-N 314.297 2.898 5 1 DFBF Cc1nc(N(C)c2ccccc2)nc(-n2ccnc2C)c1[N+](=O)[O-] 5891139 DCVZVXPOZUZOLF-UHFFFAOYSA-N 324.344 2.955 5 1 DFBF C[C@@H]1CC[C@@H]2CN/C(=C\[N+](=O)[O-])N(Cc3ccc(Cl)nc3)[C@H]12 35079189 KBVJIUIXNDGSBY-NVYHSLMKSA-N 322.796 2.631 5 1 DFBF O=C(O)c1ccc(NCc2cnc3cc([N+](=O)[O-])ccc3n2)cc1 98085472 XNFQZSCKDKAIMG-UHFFFAOYSA-N 324.296 2.848 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)cc([N+](=O)[O-])c1)O2 587391336 VLVBWKUFNQZIHX-OAHLLOKOSA-N 314.297 2.898 5 1 DFBF COc1cc(O)c2c(c1)c(C)cc1c(OC)c(O)c(=O)oc12 2356525698 YOLHQMRSPSJOKP-UHFFFAOYSA-N 302.282 2.683 5 1 DFBF C[N+](C)(C)CCN1CC(c2ccccc2)(c2ccccc2)NC1=O 34802329 QDZCUVUMJGPNOP-UHFFFAOYSA-O 324.448 2.662 5 1 DFBF CC(C)Oc1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 587275189 YNDFAXCPDQNGTN-UHFFFAOYSA-N 301.306 2.659 5 1 DFBF C[C@@H](F)[C@H](N)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587124310 NDMBHDNCGUEDLP-FBCQKBJTSA-N 317.118 2.591 5 1 DFBF Cn1nc([N+](=O)[O-])cc1-c1nc2cccc(C(F)(F)F)c2[nH]1 587274349 JQWCMFJXTRXXCR-UHFFFAOYSA-N 311.223 2.890 5 1 DFBF O=C(CCc1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ccccc1 96935512 MDRSWYRXMWFSJM-UHFFFAOYSA-N 314.297 2.895 5 1 DFBF Cn1c2ccccc2c2cc(C(=O)NCCN)c3ncccc3c21 96921192 JEMWJWOPYGOBAD-UHFFFAOYSA-N 318.380 2.568 5 1 DFBF CC(C)[C@H](N)C(=O)Oc1ccc2c(=O)c3ccccc3oc2c1 1857536302 CEZBYGXVRJUPTR-INIZCTEOSA-N 311.337 2.835 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)ccc1[N+](=O)[O-])O2 587391355 VYSJORXXOPXPBZ-HNNXBMFYSA-N 314.297 2.898 5 1 DFBF Cc1nn(C)c2c(O)nc(-c3ccc(Cl)cc3[N+](=O)[O-])nc12 28090801 UFZSQEAHZSXQDS-UHFFFAOYSA-N 319.708 2.606 5 1 DFBF Cc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1C 587265351 WWBOQOBGTPJPCP-AGIUHOORSA-N 315.373 2.840 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(F)c(F)c2[nH]1 587267388 JURNFXGSHOZDAR-SSDOTTSWSA-N 307.260 2.864 5 1 DFBF O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(-c3ccco3)c2c1 13439743 APJKUNDSNZQZPA-UHFFFAOYSA-N 324.340 2.813 5 1 DFBF in-vivo Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)cc([N+](=O)[O-])c1)O2 587391335 VLVBWKUFNQZIHX-HNNXBMFYSA-N 314.297 2.898 5 1 DFBF c1cnc2c(c1)c1nc(CC3OCCO3)[nH]c1c1cccnc12 586908374 OFXGJQOFAWXEPR-UHFFFAOYSA-N 306.325 2.575 5 1 DFBF COC(=O)c1cc(OC)cc2oc3cc(C)cc(O)c3c(=O)c12 13335397 FLSZNPRKDAAYOZ-UHFFFAOYSA-N 314.293 2.755 5 1 DFBF biogenic O=C(/C=C\c1nc2cncc([N+](=O)[O-])c2[nH]1)Nc1ccccc1 587243524 FREVQNOSEFPVRC-SREVYHEPSA-N 309.285 2.518 5 1 DFBF CSc1ccc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2c1 587274912 WHRVNBRMEPLWQO-UHFFFAOYSA-N 303.347 2.746 5 1 DFBF CC(=O)N1CCC(C(=O)c2coc3cc([N+](=O)[O-])ccc23)CC1 587280306 RVFAKOSKICFQQC-UHFFFAOYSA-N 316.313 2.782 5 1 DFBF Cn1c2cnccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 13375059 GSYTWFSUSXURDO-UHFFFAOYSA-N 308.337 2.977 5 1 DFBF endogenous,in-man CC(C)(CO)[C@@H](O)c1nc2c3cccnc3c3ncccc3c2[nH]1 586900743 KSLCVHAKMLHELR-INIZCTEOSA-N 322.368 2.711 5 1 DFBF Cc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12 5808493 VBSZRVVFTRYDCU-UHFFFAOYSA-N 307.397 2.988 5 1 DFBF O=C(Cc1nc2cc([N+](=O)[O-])ccc2nc1O)c1ccccc1 100384399 FTBCHNOCIRGMIH-UHFFFAOYSA-N 309.281 2.669 5 1 DFBF CC(C)NC(=O)CNc1nc(-c2cccc([N+](=O)[O-])c2)cs1 82192051 HXOGLYKRXXRVQF-UHFFFAOYSA-N 320.374 2.655 5 1 DFBF COC(=O)c1cc([N+](=O)[O-])c(NC(C)=O)cc1OCCC(C)C 40953969 FJEGLUFPHSKTCU-UHFFFAOYSA-N 324.333 2.765 5 1 DFBF COc1cc(OCc2nc3cc(C)cnc3[nH]2)ccc1[N+](=O)[O-] 587262699 ZMPAJGLMYYLKFW-UHFFFAOYSA-N 314.301 2.762 5 1 DFBF O=[N+]([O-])c1cccnc1NCc1nc2cc(F)cc(F)c2[nH]1 587269732 ZYMUQQBJMWZXQU-UHFFFAOYSA-N 305.244 2.756 5 1 DFBF COc1cc(OCc2nc3cccc(O)c3[nH]2)ccc1[N+](=O)[O-] 587263330 RODPHIWWEHYTOI-UHFFFAOYSA-N 315.285 2.764 5 1 DFBF CSc1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1 587268397 VNTGXZWERXBLKH-UHFFFAOYSA-N 301.331 2.837 5 1 DFBF COc1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2n1 587159572 SFDDANSQQKVCJL-UHFFFAOYSA-N 318.264 2.593 5 1 DFBF Nc1nc(-c2ccc([N+](=O)[O-])cc2)c2c(n1)-c1ccccc1C2=O 653712807 RNVTWWDCJHGABR-UHFFFAOYSA-N 318.292 2.845 5 1 DFBF O=[N+]([O-])c1cccc(CCc2nc3cnc(Cl)[nH]c-3n2)c1 587270645 PICFLWAJSJCPAS-UHFFFAOYSA-N 303.709 2.651 5 1 DFBF Cc1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2n1 587269937 UGVGVZUEFSWNBC-UHFFFAOYSA-N 312.285 2.566 5 1 DFBF COc1cc(C(=O)NCCN(C)C)c2nc3ccccc3cc2c1 5957814 ASXJQFGUSLWIBV-UHFFFAOYSA-N 323.396 2.688 5 1 DFBF C[C@H](O)CCOc1cc(O)c2c(=O)c3c(O)cccc3oc2c1 14821976 BVGCPICXZZPKED-VIFPVBQESA-N 316.309 2.507 5 1 DFBF biogenic Cc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1C 587265356 WWBOQOBGTPJPCP-RWMBFGLXSA-N 315.373 2.840 5 1 DFBF CC(=O)N[C@@H](CC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 72113685 CZBJBUITSWZIQD-ZDUSSCGKSA-N 302.286 2.638 5 1 DFBF COc1cc(OC)c2c(=O)c3c(OC)cccc3oc2c1OC 14764372 OEEDAEPKDCLQEZ-UHFFFAOYSA-N 316.309 2.981 5 1 DFBF biogenic CC(C)c1ccc2oc3nc(NO)c(C(=O)O)cc3c(=O)c2c1 101341690 ISZJUHMCVAZFGH-UHFFFAOYSA-N 314.297 2.964 5 1 DFBF CC(C)[C@H](N)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587258605 HDZKNAOUAWCKOM-VIFPVBQESA-N 313.155 2.889 5 1 DFBF O=[N+]([O-])c1cncc2nc([C@@H](O)c3ccccc3Cl)[nH]c12 587058231 DRHPFHZAPLZHCI-LBPRGKRZSA-N 304.693 2.601 5 1 DFBF CN1C(=O)[C@@]2(Nc3ccccc3S2)c2cc([N+](=O)[O-])ccc21 49793954 MLHQYPGVKAIYKR-OAHLLOKOSA-N 313.338 2.942 5 1 DFBF COc1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Cl 587275386 CZFVCOBGLSMVHA-ZETCQYMHSA-N 321.724 2.939 5 1 DFBF O=C1NC(c2ccc([N+](=O)[O-])cc2)=CCN1c1ccccc1O 299867460 YBMQCDMBSMNXFV-UHFFFAOYSA-N 311.297 2.871 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c([N+](=O)[O-])c1)O2 587390960 TTXKDDUPVGMHLP-HNNXBMFYSA-N 314.297 2.898 5 1 DFBF N[C@@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H]1c1ccccc1F 587153786 CXLQCTJZSQLGAL-BZNIZROVSA-N 312.304 2.952 5 1 DFBF NC(=O)N1CCc2sccc2[C@H]1c1ccc([N+](=O)[O-])cc1F 962721560 ZZFWCHYOYSGNLL-CYBMUJFWSA-N 321.333 2.822 5 1 DFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(Cl)ccnc2[nH]1 587266820 AZRZVJRBVBHPFI-UHFFFAOYSA-N 320.740 2.888 5 1 DFBF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587093748 GKQCIXGPUFFSQR-ZCFIWIBFSA-N 316.239 2.601 5 1 DFBF CNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc([N+](=O)[O-])cc1 38841164 MMQUFTWSIKXRGI-CQSZACIVSA-N 319.361 2.714 5 1 DFBF CNC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc([N+](=O)[O-])c1 96923124 ICPXKGUYQAEMRK-UHFFFAOYSA-N 317.349 2.829 5 1 DFBF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587236596 YEFLHAADCTZLDO-VHSXEESVSA-N 317.352 2.509 5 1 DFBF CCOC(=O)c1c(C)nc(OC)nc1-c1cccc([N+](=O)[O-])c1 29325407 IHOBAOYMTBPAII-UHFFFAOYSA-N 317.301 2.546 5 1 DFBF COc1ccc2c(=O)c3c(OC)cc(O)cc3oc2c1OC 14764395 DAPPJIWHYPGZBD-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic Nc1ncc(-c2nc3ccc4ncccc4c3[nH]2)cc1[N+](=O)[O-] 587268108 LIMCWWQNYXWWHS-UHFFFAOYSA-N 306.285 2.664 5 1 DFBF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cccc([N+](=O)[O-])c2[nH]1 587094039 ILAVPFZILWYJGY-ZCFIWIBFSA-N 316.239 2.601 5 1 DFBF CCc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587264410 RIEWQPDXIMSGPA-WCFLWFBJSA-N 315.373 2.786 5 1 DFBF Nc1ccc(C(=O)CCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 587252140 XHWTVXCWHQUFJD-UHFFFAOYSA-N 310.313 2.869 5 1 DFBF Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1[N+](=O)[O-] 169296341 FUMNLCOHMGSPJE-FKGLVLAHSA-N 312.325 2.605 5 1 DFBF CC(C)c1cc2c(=O)c3cc(C(=O)O)c(N)nc3oc2cc1F 1857773437 ZAFOQCLNYNBOQC-UHFFFAOYSA-N 316.288 2.884 5 1 DFBF COc1cc2oc3oc4cc(O)cc(O)c4c(=O)c3c2cc1O 238750697 LKUPOVRPMGQGEU-UHFFFAOYSA-N 314.249 2.818 5 1 DFBF O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)ncc2[nH]1 587268488 AFUXCLPQGIJNDG-UHFFFAOYSA-N 304.697 2.527 5 1 DFBF COc1ccc2oc3c(OC)c(OC)c(OC)cc3c(=O)c2c1 5811083 QPTYQJBRCIANSR-UHFFFAOYSA-N 316.309 2.981 5 1 DFBF biogenic O=[N+]([O-])c1cncc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 586908623 OVSLNLNLOHORJS-UHFFFAOYSA-N 310.269 2.505 5 1 DFBF COc1ncc(F)cc1-c1nc2cc(C)c([N+](=O)[O-])cc2[nH]1 587176375 QQJZCBODMPXIKH-UHFFFAOYSA-N 302.265 2.989 5 1 DFBF O=C1c2ccc([N+](=O)[O-])cc2NC2=C(Br)CCCN12 957560896 IMMMZVXAZMMDLI-UHFFFAOYSA-N 324.134 2.820 5 1 DFBF c1cnc2c(c1)c1nc(C[C@@H]3COCCO3)[nH]c1c1cccnc12 586908946 DBSNZKRAGVCBMX-LLVKDONJSA-N 320.352 2.617 5 1 DFBF Cn1c(=O)c([N+](=O)[O-])c(Sc2ccccn2)c2ccccc21 95771606 ZJPSCNZPNMJBDL-UHFFFAOYSA-N 313.338 2.993 5 1 DFBF O=[N+]([O-])c1ccc(CN2CCN(c3ccccc3)CC2)s1 653796421 OVURKVSURSXQSV-UHFFFAOYSA-N 303.387 2.979 5 1 DFBF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587961386 FQXJHMKPRZIEFM-HTQZYQBOSA-N 318.289 2.537 5 1 DFBF CCOC(=O)Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 587777781 XOLMOVJJTJFIQR-UHFFFAOYSA-N 306.325 2.765 5 1 DFBF O=C(Oc1ccc2c(=O)c3ccccc3oc2c1)[C@@H]1CCCN1 1857538192 PAYQVBPFFTULQC-AWEZNQCLSA-N 309.321 2.604 5 1 DFBF COC(=O)c1cn2c(=O)c3ccccc3nc2c2ccccc12 6724122 MPULGKNWVSTQBI-UHFFFAOYSA-N 304.305 2.788 5 1 DFBF Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2=O)c([N+](=O)[O-])c1 15220022 BVUUQMPZCQAOIE-AGCIHXOGSA-N 312.325 2.605 5 1 DFBF CCOC(=O)Cn1c(C(F)(F)F)nc2ccc([N+](=O)[O-])cc21 103197621 NGQBZQJFTOOGFJ-UHFFFAOYSA-N 317.223 2.526 5 1 DFBF COc1cc2ncc3c(N)nc(-n4ccnc4)cc3c2cc1OC 45298991 IFLGOCZGMTYXNK-UHFFFAOYSA-N 321.340 2.568 5 1 DFBF O=[N+]([O-])c1ccc(-n2cc(-c3cccc([N+](=O)[O-])c3)nn2)cc1 473084713 UCRJNTLDWKORFS-UHFFFAOYSA-N 311.257 2.751 5 1 DFBF C=C(NC(C)=O)c1nc2c3cccnc3c3ncccc3c2[nH]1 587204622 XXLSGNQGJYXRCL-UHFFFAOYSA-N 303.325 2.766 5 1 DFBF O=C(O)Cc1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 587959028 KZRJDFQYOMRRCT-UHFFFAOYSA-N 311.297 2.689 5 1 DFBF Cc1cccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 587261525 CCTXAHSRSYMSAJ-GRYCIOLGSA-N 301.346 2.532 5 1 DFBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])o1)[C@@H](C2)C3=O 587430511 IDLAJXKUBJQANL-BJOHPYRUSA-N 301.254 2.685 5 1 DFBF Cn1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 587115206 IFIKFNATXPLWGK-UHFFFAOYSA-N 311.223 2.890 5 1 DFBF COc1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1C 587276811 NOEHXFKAAUYORQ-VIFPVBQESA-N 301.306 2.594 5 1 DFBF O=c1c2c(O)cccc2oc2c3c(cc(O)c12)O[C@@H]1OCC[C@H]31 14715678 WUSMTEDKVPWFDN-GJEGPGMTSA-N 312.277 2.580 5 1 DFBF endogenous,in-man CCC(=O)N(c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1N(C)C 28234113 MLCHLSURSJWBKC-GJZGRUSLSA-N 305.378 2.821 5 1 DFBF Cc1cnc(Cl)c2[nH]c([C@@H](C)n3cc([N+](=O)[O-])cn3)nc12 587276596 NCJBSERKQGQUSF-SSDOTTSWSA-N 306.713 2.634 5 1 DFBF C[C@](O)(C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F 26378807 BKFROFIIKGJBDG-VIFPVBQESA-N 312.631 2.500 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)ncc2[nH]1 587267229 HHTCGCIRVDNGBS-ZETCQYMHSA-N 306.713 2.634 5 1 DFBF O=C1C(=O)N(Sc2ccccc2[N+](=O)[O-])c2ccccc21 95597340 XVIMHNQYBFCQLS-UHFFFAOYSA-N 300.295 2.831 5 1 DFBF N[C@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccccc1Cl 587057536 BFLJKLGKILAHPI-LLVKDONJSA-N 317.736 2.762 5 1 DFBF COc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1C 587274532 PRZCLDGZTRRPMU-SNVBAGLBSA-N 315.333 2.788 5 1 DFBF CCOC(=O)c1nc(O)c2cc3cc(SC)ccc3nc2n1 26641589 ZLHBIWMJNHBRNC-UHFFFAOYSA-N 315.354 2.782 5 1 DFBF C[C@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccc([N+](=O)[O-])cc1 29409464 YRRXXKFKXPJFCC-AEZOWIDVSA-N 318.373 2.867 5 1 DFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263321 LHNWPMBCZKQPPS-BBBLOLIVSA-N 321.764 2.877 5 1 DFBF Cc1oc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1[N+](=O)[O-] 587269621 WOXHTYPONUHBPC-UHFFFAOYSA-N 301.258 2.811 5 1 DFBF NC(=O)Nc1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 587244087 WLVZMGPECKHFOK-UHFFFAOYSA-N 315.264 2.768 5 1 DFBF C[N+]1([O-])CCc2cc3c(c4c2[C@H]1[C@@H](O)c1ccccc1-4)OCO3 14615644 PQQSHMZUVWGXSV-YGYNJSFOSA-N 311.337 2.671 5 1 DFBF endogenous,in-man O=[N+]([O-])c1cncc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587017807 ZXUWPZOLYRVZJF-SNVBAGLBSA-N 317.330 2.841 5 1 DFBF CCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 617958731 FTFUXELLTZMLGA-KLDSGFLGSA-N 321.358 2.791 5 1 DFBF CCc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587264408 RIEWQPDXIMSGPA-DRZSPHRISA-N 315.373 2.786 5 1 DFBF O=C(Cn1nnc2ccccc21)c1coc2cc([N+](=O)[O-])ccc12 587279681 OAJTUKWTAFMWOH-UHFFFAOYSA-N 322.280 2.969 5 1 DFBF COc1cc(OC)c2c(=O)c3c([N+](=O)[O-])cccc3n(C)c2c1 5579978 XUXSDAIUHIWQAS-UHFFFAOYSA-N 314.297 2.617 5 1 DFBF CCOC(=O)c1c(-c2cnn(C)c2)[nH]c2cccc([N+](=O)[O-])c12 587647591 JSDZZSVEWNHSBX-UHFFFAOYSA-N 314.301 2.653 5 1 DFBF COc1cc2c(=O)c3c(OC)c(O)ccc3n(C)c2c2ooc12 238777455 NPKSFRUWEBWVET-UHFFFAOYSA-N 315.281 2.754 5 1 DFBF Cc1nccc2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc12 587149340 QXRYFBUPBJCHOC-UHFFFAOYSA-N 302.265 2.893 5 1 DFBF CCOC(=O)Cc1csc(Nc2ccccc2[N+](=O)[O-])n1 5499676 XOXCIPXBYNMTBJ-UHFFFAOYSA-N 307.331 2.901 5 1 DFBF COc1ccc2nc3c(C(=O)NCCN(C)C)cccc3cc2c1 5808484 GDSTWJPHVBRLOK-UHFFFAOYSA-N 323.396 2.688 5 1 DFBF CCCCNc1nn2c(-c3ccc([N+](=O)[O-])o3)nnc2s1 72142760 DZXDVCJBTOOOPU-UHFFFAOYSA-N 308.323 2.566 5 1 DFBF COc1cc(O)c2c(O)c3c(=O)cc(C)oc3c(OC)c2c1 53313728 OHVKAZDMDUUIOK-UHFFFAOYSA-N 302.282 2.683 5 1 DFBF CC1(C)Oc2c(ccc3c(=O)c4ccccc4oc23)[C@@H](O)[C@@H]1O 13382562 NBRJYCDRCSSZRX-PBHICJAKSA-N 312.321 2.512 5 1 DFBF biogenic COc1cc(O)c2c(=O)c3cc(OC)c(OC)cc3oc2c1 6483508 YBXGACGRJWDKHC-UHFFFAOYSA-N 302.282 2.678 5 3 DFBF biogenic,in-vitro C[C@@H]1CCC(=O)[C@@H](C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O 103273290 GLBIUMDUJIGJPT-JMCQJSRRSA-N 309.705 2.615 5 1 DFBF Cn1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)n1 587646658 ZQRILSXYZNIOPB-UHFFFAOYSA-N 320.255 2.924 5 1 DFBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])o1)[C@@H](C2)C3=O 587430520 IDLAJXKUBJQANL-VFZGTOFNSA-N 301.254 2.685 5 1 DFBF CC(=O)N1N=C(c2ccccc2)O[C@H]1c1ccc([N+](=O)[O-])cc1 72179161 FAUNHAQXBMXMCX-INIZCTEOSA-N 311.297 2.834 5 1 DFBF O=[N+]([O-])c1ccc(OCc2nc3ccc(O)cc3[nH]2)cc1F 587148859 LVJJAQMVPFLEHJ-UHFFFAOYSA-N 303.249 2.895 5 1 DFBF O=c1oc2cc(OCc3ccccc3)ccc2c(O)c1[N+](=O)[O-] 117744269 DDQRPEIGISVEJC-UHFFFAOYSA-N 313.265 2.986 5 1 DFBF O=C1CCCN1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 26725756 SEMPDKKMBUXMJC-UHFFFAOYSA-N 324.283 2.628 5 1 DFBF N[C]1Sc2ccccc2N1CC(=O)c1ccc([N+](=O)[O-])cc1 2356821864 HWGLMPWRUGVQOL-UHFFFAOYSA-N 314.346 2.795 5 1 DFBF CC(C)CCC[C@@H](C)C(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 12496860 QBYXBONNCVATNQ-KGLIPLIRSA-O 302.435 2.542 5 1 DFBF endogenous,in-man Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c(C)c1 40424130 KMOISTROCBGHOJ-UHFFFAOYSA-N 321.358 2.603 5 1 DFBF CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2cccc([N+](=O)[O-])c12 587647635 LCAWSHQQKGYOCG-UHFFFAOYSA-N 314.301 2.653 5 1 DFBF O=c1c2cnn(-c3ccccc3)c2nc2[nH]c3ccccc3n12 101880081 CIJLCQXHDURONZ-UHFFFAOYSA-N 301.309 2.515 5 1 DFBF Cc1nc(N[C@@H]2CCC[C@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821458 BRRSYFCUYUISPX-BXKDBHETSA-N 316.365 2.788 5 1 DFBF Nc1nc2oc3ccc(CCC4CC4)cc3c(=O)c2cc1C(=O)O 1857771476 CFFJUSYKIWARJC-UHFFFAOYSA-N 324.336 2.964 5 1 DFBF O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)O 2356844093 FAEALMZEEPUTRR-UHFFFAOYSA-N 313.265 2.918 5 1 DFBF O=c1nc2n(-c3ccccc3)c3c(Cl)cccc3cc-2c(=O)[nH]1 96282715 YVSMZEICTKINIT-UHFFFAOYSA-N 323.739 2.832 5 1 DFBF COc1cc(-c2nc3cccc(O)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260826 HMSDGEAHJSBEGZ-UHFFFAOYSA-N 315.285 2.861 5 1 DFBF C[C@@H]1CC(=O)[C@H](C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)[C@@H]1C 103165824 NVBSKHNFGFVDQQ-RBDZCENOSA-N 323.732 2.861 5 1 DFBF Cn1cc(-c2cnc3ccc4ccc(N)cc4c(=O)c3c2)cn1 34874478 VFRNCFJILIALAR-UHFFFAOYSA-N 302.337 2.731 5 1 DFBF O=[N+]([O-])c1ccc(-c2cn(-c3ccc([N+](=O)[O-])cc3)nn2)cc1 473084725 UEAXRAZKNXCLNH-UHFFFAOYSA-N 311.257 2.751 5 1 DFBF COc1cc2c(c(OC)c1OC)c(=O)n1c3c(cccc23)CC1 13373879 BGIBVSAIZCYFGM-UHFFFAOYSA-N 311.337 2.737 5 1 DFBF biogenic,in-vitro COc1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 587268337 RYMQRGBYIQUZGU-UHFFFAOYSA-N 315.333 2.848 5 1 DFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccnc(Cl)c2[nH]1 587270033 HYNOFVFHZUHYMT-JTQLQIEISA-N 317.736 2.762 5 1 DFBF O=[N+]([O-])c1cc2nc([C@@H](O)C3CCOCC3)[nH]c2cc1Cl 586913824 PXUYPGPGJFPGLQ-LBPRGKRZSA-N 311.725 2.585 5 1 DFBF CN(C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)Cc1ccco1 40918694 KLNOCAATAUQTIH-UHFFFAOYSA-N 303.318 2.872 5 1 DFBF CCC(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1N(C)C 28234108 MLCHLSURSJWBKC-LSDHHAIUSA-N 305.378 2.821 5 1 DFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(F)cnc(Cl)c2[nH]1 587274241 OMNZQXSHBBZZGY-LURJTMIESA-N 324.703 2.659 5 1 DFBF O=[N+]([O-])c1cc(F)cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587160116 HYKICPJPAWZTSV-UHFFFAOYSA-N 303.209 2.580 5 1 DFBF Cc1cccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 587265999 YWNXGJQYVSHLQQ-NSHDSACASA-N 312.329 2.728 5 1 DFBF Nc1cccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CC(=O)O)c1 587647766 OQOYBPGFIDZGCT-UHFFFAOYSA-N 311.297 2.952 5 1 DFBF O[C@H]1c2cc3ccc4cccc5ccc(c2C[C@@H](O)[C@@H]1O)c3c45 33836544 GFANZDFKCCJYRF-UXPWSPDFSA-N 304.345 2.895 5 1 DFBF in-vitro C[C@H]1C(=O)CC[C@H]1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587961389 FQXJHMKPRZIEFM-SFYZADRCSA-N 318.289 2.537 5 1 DFBF Cc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1F 587268600 GJMPFBWMQUFMAM-UHFFFAOYSA-N 301.281 2.926 5 1 DFBF CC(=O)Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c1 28957232 LZZMJZGEWHWZFT-UHFFFAOYSA-N 312.285 2.807 5 1 DFBF CC(C)COc1ccc(-c2cc(C(=O)O)no2)cc1[N+](=O)[O-] 49803868 PWVCPFZIKWXXKH-UHFFFAOYSA-N 306.274 2.983 5 1 DFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccnc(Cl)c2[nH]1 587268457 YQESBAYYIVYKSO-UHFFFAOYSA-N 320.740 2.888 5 1 DFBF O=[N+]([O-])c1cccnc1NCc1nc2cncc(Cl)c2[nH]1 587269211 SVHBRFCRPCJUSY-UHFFFAOYSA-N 304.697 2.527 5 1 DFBF Cn1c(C(C)(C)OC(=O)Nc2ccccc2)cnc1[N+](=O)[O-] 169341417 PRMBKQCCUHMHDE-UHFFFAOYSA-N 304.306 2.812 5 1 DFBF C[N@@+]1([O-])CCc2cc3c(c4c2[C@@H]1[C@@H](O)c1ccccc1-4)OCO3 255259749 PQQSHMZUVWGXSV-ZIFCJYIRSA-N 311.337 2.671 5 1 DFBF O=[N+]([O-])c1ccn(CCCc2nc3cc(F)cc(F)c3[nH]2)n1 587273672 NLVTWDDPVNCOKW-UHFFFAOYSA-N 307.260 2.579 5 1 DFBF CCOc1cc(C)c2cc3c(C)cc(=O)n4c3c(c2n1)OCC4 1857546285 KNHMRLMKAYGWMI-UHFFFAOYSA-N 310.353 2.958 5 1 DFBF COc1cc2oc3c(OC)c(OC)ccc3c(=O)c2cc1OC 14764596 ZGFFGEUREUZOBR-UHFFFAOYSA-N 316.309 2.981 5 1 DFBF biogenic Cn1nc(C(F)(F)F)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587116859 DNAQDLSSMLIRFB-UHFFFAOYSA-N 311.223 2.890 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccnc(Cl)c2[nH]1 587267416 JXQWSCRJEFDGMX-SSDOTTSWSA-N 306.713 2.634 5 1 DFBF O=[N+]([O-])c1cccc(-c2ccnc(NCCCn3ccnc3)n2)c1 45352111 SGIGNIHYRVAENC-UHFFFAOYSA-N 324.344 2.751 5 1 DFBF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc([N+](=O)[O-])cnc4[nH]1)(C3)C2 587968322 AEEJJEBIGBJHDE-VWJBHBPUSA-N 312.329 2.513 5 1 DFBF CCc1cc2c(O)nc(O)nc2nc1-c1cccc([N+](=O)[O-])c1 587555836 SVGRTFCGQONXLF-UHFFFAOYSA-N 312.285 2.574 5 1 DFBF CCN(CC)CCNc1ccc2[nH]c(=O)c3ccccc3c2n1 13523974 JHVKDQAXWUMOCB-UHFFFAOYSA-N 310.401 2.830 5 1 DFBF COc1cc(O)c2c(=O)oc3c(OC)c(OC)cc(C)c3c2c1 14761030 ZKPINXURUNKUFT-UHFFFAOYSA-N 316.309 2.986 5 1 DFBF biogenic O=[N+]([O-])c1cccc(-n2cc(-c3nc4cccc(F)c4[nH]3)nn2)c1 587270568 VRLRYAVJKQJGFO-UHFFFAOYSA-N 324.275 2.858 5 1 DFBF C[C@@H](NC(=O)OC(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1 29339826 ZCLLTZLTCKDQNZ-VIFPVBQESA-N 310.306 2.622 5 1 DFBF COc1cc([N+](=O)[O-])c(OC)cc1-c1cn2nc(C)sc2n1 73164770 YAPRBKOTNURLTJ-UHFFFAOYSA-N 320.330 2.692 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccncc1[N+](=O)[O-])O2 587391728 XTMMNPLRFDRSHY-MRXNPFEDSA-N 313.313 2.761 5 1 DFBF CCNS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 45193889 LGXZZNRUIXBCQO-UHFFFAOYSA-N 322.342 2.685 5 1 DFBF CN1c2ccccc2C(n2cnc([N+](=O)[O-])n2)c2ccccc21 1772620103 BXCCXTDSMCMRCX-UHFFFAOYSA-N 307.313 2.905 5 1 DFBF C[C@H](O)c1ncc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)s1 587022680 UTGWWRFPOAUIPE-YFKPBYRVSA-N 308.294 2.787 5 1 DFBF CC(C)(O)[C@H]1Cc2ccc3c(=O)c4c(O)cccc4oc3c2O1 13382732 AUACLMGLHMJOTC-CYBMUJFWSA-N 312.321 2.726 5 1 DFBF biogenic Cc1cccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 587261531 CCTXAHSRSYMSAJ-WOPDTQHZSA-N 301.346 2.532 5 1 DFBF CC1(C)Oc2c(ccc3c(=O)c4ccccc4oc23)[C@H](O)[C@@H]1O 13382564 NBRJYCDRCSSZRX-YOEHRIQHSA-N 312.321 2.512 5 1 DFBF biogenic COC(=O)Nc1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 587244242 YTTHVNMWCYBCJN-UHFFFAOYSA-N 313.273 2.711 5 1 DFBF O=C(NN1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1Cl 84614913 VACHPBQVGAKTBG-UHFFFAOYSA-N 317.732 2.909 5 1 DFBF O=C(/C=C\c1nc2cc([N+](=O)[O-])cnc2[nH]1)Nc1ccccc1 587243513 FNPYOVNUIMSTJV-SREVYHEPSA-N 309.285 2.518 5 1 DFBF OC1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCOCC1 586912386 CVDRJUPRNBUADZ-UHFFFAOYSA-N 320.352 2.657 5 1 DFBF C[C@@H](O)c1ncc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)s1 587022679 UTGWWRFPOAUIPE-RXMQYKEDSA-N 308.294 2.787 5 1 DFBF CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc([N+](=O)[O-])cc1 38841162 MMQUFTWSIKXRGI-AWEZNQCLSA-N 319.361 2.714 5 1 DFBF C[C@@H]1C(=O)[C@H](C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C[C@H]1C 299848052 NVBSKHNFGFVDQQ-BFHDXFOESA-N 323.732 2.861 5 1 DFBF Cn1cc([N+](=O)[O-])cc1-c1nnc(Cc2ccccc2F)o1 103287116 AHXFPZJQFQIWOR-UHFFFAOYSA-N 302.265 2.713 5 1 DFBF Cn1ccc2c(c1=O)C(=O)c1nccc3c1c-2nc1ccccc13 3818774 HHTUKGISODJJKH-UHFFFAOYSA-N 313.316 2.693 5 1 DFBF biogenic Cc1c(F)ccc2c1[C@](C[N+](=O)[O-])(c1ccccc1)NCC2 962294289 BLTWDQBDTLZDTP-KRWDZBQOSA-N 300.333 2.800 5 1 DFBF O=[N+]([O-])c1cc2[nH]ncc2c2c1ncc1cc3c(cc12)OCO3 299836045 YBPHBMYSPLWDCC-UHFFFAOYSA-N 308.253 2.901 5 1 DFBF CC(=O)Nc1ccc2cc3ccc(NC(=O)CCN)cc3nc2c1 71388868 MWABSXMSONGHFL-UHFFFAOYSA-N 322.368 2.634 5 1 DFBF O=c1[nH]ccc2cc(CCO)c3ccc(Br)cc3c12 28955833 IRNIFUGFYTZKCJ-UHFFFAOYSA-N 318.170 2.979 5 1 DFBF N[C]1Sc2ccccc2N1CC(=O)c1cccc([N+](=O)[O-])c1 2356867960 ZUQDNFMXYDAMLS-UHFFFAOYSA-N 314.346 2.795 5 1 DFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(F)cc(F)c2[nH]1 587272993 CJDGORXDNTXHTF-SSDOTTSWSA-N 307.260 2.750 5 1 DFBF CCOC(=O)c1c(-c2cnn(C)c2)[nH]c2cc([N+](=O)[O-])ccc12 587648054 ZKMGDVMGMOKFCJ-UHFFFAOYSA-N 314.301 2.653 5 1 DFBF COCCOc1ccc(-c2nc3cnccc3[nH]2)cc1[N+](=O)[O-] 587265291 OBXSLCMQVSBWMA-UHFFFAOYSA-N 314.301 2.558 5 1 DFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(O)cc2[nH]1 587159242 NXUFMARUGPPKQP-UHFFFAOYSA-N 303.249 2.895 5 1 DFBF COc1ccc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 1857574043 SEKYTBXUGAFVBF-UHFFFAOYSA-N 304.302 2.862 5 1 DFBF Cc1c(Cl)ccc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c12 587274966 YDWBSFNWPHDFSR-UHFFFAOYSA-N 305.725 2.986 5 1 DFBF O=[N+]([O-])c1ccn(CCCc2nc3ccc4ncccc4c3[nH]2)n1 587274364 UDBNTLZTZNPKHM-UHFFFAOYSA-N 322.328 2.849 5 1 DFBF C[C@H](c1nc2ccc3ncccc3c2[nH]1)n1cc([N+](=O)[O-])cn1 587276344 KTDMSNGOWFWQLZ-SECBINFHSA-N 308.301 2.825 5 1 DFBF Cc1c(NC(N)=O)cccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587239260 OKOLLCWWIANHER-UHFFFAOYSA-N 311.301 2.937 5 1 DFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)cnc2[nH]1 587269554 FFJXTCLAPPLDGC-NSHDSACASA-N 317.736 2.762 5 1 DFBF CC1(C)C=C(C(=O)NCC2CC2)c2cc([N+](=O)[O-])ccc2O1 40466059 VTXUCKQFRXXVGM-UHFFFAOYSA-N 302.330 2.675 5 1 DFBF CCOC(=O)/C(=C/N(C)C)c1[nH]c2cc([N+](=O)[O-])ccc2c1C 587647383 XTBCUANDPALFPU-UKTHLTGXSA-N 317.345 2.850 5 1 DFBF CN(C)CCNc1cc2[nH]cnc2c2oc3ccccc3c(=O)c12 35324503 JLMLJIGYYJRJGK-UHFFFAOYSA-N 322.368 2.796 5 1 DFBF C[C@H](NC(=O)CC(F)(F)F)c1nc2cccc([N+](=O)[O-])c2[nH]1 587094038 ILAVPFZILWYJGY-LURJTMIESA-N 316.239 2.601 5 1 DFBF C[C@@H](c1nc2cnc3ccccc3c2[nH]1)n1cc([N+](=O)[O-])cn1 587277453 WHIWNBGOWMTQOP-VIFPVBQESA-N 308.301 2.825 5 1 DFBF Cc1cc(F)c2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 587274166 NNJRYYPTLBYJRI-VIFPVBQESA-N 303.297 2.919 5 1 DFBF CC(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587273857 PLMAHZFBDNHIEV-UHFFFAOYSA-N 313.317 2.503 5 1 DFBF C[N+]12CCCC[C@H]1[C@@H](CN1C(=O)c3ccccc3C1=O)CCC2 16040046 UMWVQFMDELFMHV-CFNJBXRESA-N 313.421 2.692 5 1 DFBF O=C1c2ccc([N+](=O)[O-])cc2[C@@]2(c3ccccc3)SCCN12 6582017 LHQJLLPZMOMOLL-MRXNPFEDSA-N 312.350 2.999 5 1 DFBF COc1cc2oc3c(OC)cccc3c(=O)c2c(OC)c1OC 14764119 SYCLQJWJTXZCTR-UHFFFAOYSA-N 316.309 2.981 5 1 DFBF biogenic Cc1cc(F)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 587263452 MWQJRSUGEAKYMX-DCAQKATOSA-N 319.336 2.671 5 1 DFBF Cc1cc(F)c2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2c1 587269123 QIBWVHKEZZPYEU-UHFFFAOYSA-N 301.281 2.926 5 1 DFBF O=C1NC(=O)N(c2ccccc2)/C1=C/Nc1ccc([N+](=O)[O-])cc1 1857645728 ZSRSLMOFZGDWTE-GXDHUFHOSA-N 324.296 2.605 5 1 DFBF COc1nccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587158783 IUFFUFHJUSNVNK-UHFFFAOYSA-N 318.264 2.593 5 1 DFBF O=[N+]([O-])c1cc2[nH]c(Cl)nc2cc1I 5973916 DQODIHNTPWKHCB-UHFFFAOYSA-N 323.477 2.729 5 1 DFBF O=[N+]([O-])c1cccc(NC(=S)OCCc2ccccn2)c1 40845668 XLJMGASLZDRLSG-UHFFFAOYSA-N 303.343 2.946 5 1 DFBF NC1CC(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)C1 587255358 LYVRALXNZBFPNY-UHFFFAOYSA-N 303.369 2.939 5 1 DFBF COc1cccc([C@@]2(C)NCCc3ccc(O)cc32)c1[N+](=O)[O-] 963353010 OOUHOBNCMINYOQ-QGZVFWFLSA-N 314.341 2.718 5 1 DFBF COc1ccc2c(c1)[nH]c1c3c(OC)cncc3cc(C(N)=O)c21 217045437 XVSFEEKLBPRHRF-UHFFFAOYSA-N 321.336 2.985 5 1 DFBF COc1cc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2cc1Cl 587274756 LQAHTDCMRBMBAX-UHFFFAOYSA-N 307.697 2.534 5 1 DFBF O=[N+]([O-])c1ccc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 473085275 WGNDCBXVHUDSPE-UHFFFAOYSA-N 311.257 2.751 5 1 DFBF Cc1c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cccc1[N+](=O)[O-] 587261824 IUEIYENRYCIOSK-UHFFFAOYSA-N 324.296 2.777 5 1 DFBF COc1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2n1 587149317 QMDLQPYSACMVEF-UHFFFAOYSA-N 318.264 2.593 5 1 DFBF Cc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1C 587263132 KCRXFRXKESPHJD-KGYLQXTDSA-N 315.373 2.840 5 1 DFBF N/N=c1\c2ccccc2c2cc3c(cc12)/c(=N/N)c1ccccc13 5722193 VCWMEMPTAIXINL-BLVCXSLXSA-N 310.360 2.724 5 1 DFBF O=[N+]([O-])c1cccnc1NCc1nc2ccnc(Cl)c2[nH]1 587268877 MSCYRCSRDJPTMH-UHFFFAOYSA-N 304.697 2.527 5 1 DFBF Cc1ccc2c(c1)cc1c(=O)nc(N3CCCCC3)nc-1n2C 28651847 XHDHVCWVAGVOQC-UHFFFAOYSA-N 308.385 2.732 5 1 DFBF O=C1NC(=O)c2c1c1c(O)ccc(O)c1c1[nH]c3ccccc3c21 28710883 VYVSDAQCZSWUJJ-UHFFFAOYSA-N 318.288 2.769 5 1 DFBF CC(C)[C@@H](NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O 5884159 IEBSGLZZVOUHQG-GOSISDBHSA-N 324.380 2.825 5 1 DFBF COc1cc(C)cc2oc3ccc(O)c(C(=O)O)c3c(=O)c12 13335389 BQOVQGSBHRLTFG-UHFFFAOYSA-N 300.266 2.667 5 1 DFBF biogenic,in-vitro Cn1cc(C2=NC[C@]3(C[N+]4(C)CCC3CC4)O2)c2ccccc21 13451675 RCQATEJQXPANAB-CKJNBZMOSA-N 310.421 2.564 5 1 DFBF NNc1nc2cc3ccccc3cc2c(=O)n1Cc1ccccc1 1857540157 GPVQGCMOIDTXIT-UHFFFAOYSA-N 316.364 2.884 5 1 DFBF CN1c2ccccc2[C@@H]2c3c(O)ccc(O)c3C=C([N+](=O)[O-])[C@@H]21 5582849 FBORASWGOQAZHS-SJORKVTESA-N 310.309 2.679 5 1 DFBF O=[N+]([O-])c1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1Cl 586958896 JYMDWQOLUOMWGX-FQEVSTJZSA-N 313.766 2.783 5 1 DFBF CCOC(=O)C(=O)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646577 VTIOECFIAVTJHM-UHFFFAOYSA-N 312.228 2.760 5 1 DFBF COc1ccc2c(=O)c3ccccc3n(C)c2c1COC(C)=O 40864193 MARRZOWGEQELFF-UHFFFAOYSA-N 311.337 2.763 5 1 DFBF Nc1nc(-c2cccc([N+](=O)[O-])c2)cn2nc(-c3ccco3)nc12 28525562 VMTFKLKSAKEZAZ-UHFFFAOYSA-N 322.284 2.542 5 1 DFBF CN1c2ccccc2[C@H]2c3c(O)ccc(O)c3C=C([N+](=O)[O-])[C@H]21 1655864 FBORASWGOQAZHS-DLBZAZTESA-N 310.309 2.679 5 1 DFBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(F)c(F)c3[nH]2)n1 587273738 OKXCDFVLDQDONB-UHFFFAOYSA-N 307.260 2.579 5 1 DFBF O=c1c2ccccc2c(O)nn1-c1ccc([N+](=O)[O-])cc1Cl 3671700 RBLSMDPSOZRUCX-UHFFFAOYSA-N 317.688 2.653 5 1 DFBF COCCCNc1cc(-c2ccc(C)c([N+](=O)[O-])c2)ncn1 82161679 SOSBZVYQOWNZFU-UHFFFAOYSA-N 302.334 2.809 5 1 DFBF O=[N+]([O-])c1ccc(OCc2nc3cc(F)cnc3[nH]2)cc1F 587149137 PYBRGPMDSFKILH-UHFFFAOYSA-N 306.228 2.723 5 1 DFBF Cn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)cn1 587645770 CWVDFGMYHHTMSC-UHFFFAOYSA-N 320.255 2.924 5 1 DFBF NCCCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 95564880 ZVJCQPFYMIMSPV-UHFFFAOYSA-N 322.243 2.673 5 1 DFBF COc1cncc(N)c1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 587252784 MLWASFSANDPBFJ-UHFFFAOYSA-N 319.708 2.777 5 1 DFBF CCOC(=O)c1c(-c2cnccn2)[nH]c2cc([N+](=O)[O-])ccc12 587648294 BNDCRXNMQGSVLX-UHFFFAOYSA-N 312.285 2.710 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(F)c(F)cc2[nH]1 587267673 OUXRJCNOSUNEJU-ZETCQYMHSA-N 307.260 2.864 5 1 DFBF Cc1c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)oc2c1[C@@H](O)CCC2 586902634 DVHMAYGLOABNRJ-JTQLQIEISA-N 314.301 2.804 5 1 DFBF CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])[nH]1 1638641 CJZQVNYTOOWSDW-UHFFFAOYSA-N 305.246 2.675 5 1 DFBF CCOC(=O)c1c(-c2cnccn2)[nH]c2cccc([N+](=O)[O-])c12 587648282 BESMSRZVUGJLHQ-UHFFFAOYSA-N 312.285 2.710 5 1 DFBF COc1cccc2c1c(O)c1c3c(cc4c(c32)OCO4)C(=O)O1 13372689 ADPJAKSPWNSSMO-UHFFFAOYSA-N 310.261 2.969 5 1 DFBF biogenic,in-vitro CCOC(=O)C(=O)c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587646596 WTWODGPJYIQJBH-UHFFFAOYSA-N 312.228 2.760 5 1 DFBF Cn1ccc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)n1 587646636 YWXFLGXLXSDVTP-UHFFFAOYSA-N 320.255 2.978 5 1 DFBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)F 587646075 JBWFLQMWMOLYHB-UHFFFAOYSA-N 312.228 2.701 5 1 DFBF C[n+]1c2ccccc2nc2ccc(N[C@@H]3CCCC[C@@H]3N)cc21 4172225 ZMIBXBIHMRRMMU-LSDHHAIUSA-O 307.421 2.894 5 1 DFBF Cc1c(F)ccc2c1[C@@](C[N+](=O)[O-])(c1ccccc1)NCC2 962294290 BLTWDQBDTLZDTP-QGZVFWFLSA-N 300.333 2.800 5 1 DFBF Cc1cc2[nH]c(-c3cnc([C@H](C)O)s3)nc2cc1[N+](=O)[O-] 587021406 HSKJILNYBYLOJY-ZETCQYMHSA-N 304.331 2.956 5 1 DFBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 587273539 DOGGZBSIQDITTB-UHFFFAOYSA-N 300.322 2.564 5 1 DFBF Cc1cc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2cc1Cl 587274543 PUSGXVWTUKYVLX-UHFFFAOYSA-N 305.725 2.986 5 1 DFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262964 IMCIRQSOEXEXTP-MIMYLULJSA-N 321.764 2.877 5 1 DFBF O=C(O)CNC(=O)c1c2ccccc2nc2c1[nH]c1ccccc12 29125028 DZWKPYJEQQOXAZ-UHFFFAOYSA-N 319.320 2.684 5 1 DFBF COc1cc(OC)c2c(=O)c3c(OC)ccc(OC)c3oc2c1 14764504 YUEQENCEVQAYFU-UHFFFAOYSA-N 316.309 2.981 5 1 DFBF biogenic NCCCNCC(=O)Nc1c2ccccc2cc2ccccc12 169328048 UDNIFRAIWUHKAP-UHFFFAOYSA-N 307.397 2.870 5 1 DFBF C[C@]1(CO)C=Cc2c(cc(O)c3c(=O)c4ccccc4[nH]c23)O1 2356442361 ZRCVUWHYXXAJML-GOSISDBHSA-N 309.321 2.544 5 1 DFBF C[C@H](c1nc2cc(F)c(F)c(F)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276094 JCOXZUJMMMTVCH-RXMQYKEDSA-N 311.223 2.694 5 1 DFBF C[C@@](O)(C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F 13808702 BKFROFIIKGJBDG-SECBINFHSA-N 312.631 2.500 5 1 DFBF CCCCn1ccc2c3n(c(=O)c(=O)c(OC)c1-3)c1ccccc21 38691710 RBNGAXXKNFULHS-UHFFFAOYSA-N 322.364 2.966 5 1 DFBF CC1=CC[C@@H]2[C@@H](O[C@@H](c3ccc([N+](=O)[O-])cc3)C[C@]2(C)O)[C@@H]1O 1772607212 VGMDTBYHXQIHGU-HHARLNAUSA-N 319.357 2.503 5 1 DFBF COc1cc(O)c2c(=O)c3c(C)cc(O)c(OC)c3oc2c1 2356719255 SKBAQMQCGYISQB-UHFFFAOYSA-N 302.282 2.683 5 1 DFBF CN(C)C1CCN(c2ccc3[nH]c(=O)c4ccccc4c3n2)CC1 26842811 IYWKYYMYMZIKGL-UHFFFAOYSA-N 322.412 2.607 5 1 DFBF O=[N+]([O-])c1cc2nc(Cc3csc4nccn34)[nH]c2cc1F 587040028 JKXNXILCLCLEGT-UHFFFAOYSA-N 317.305 2.910 5 1 DFBF Cc1ncc([N+](=O)[O-])n1/C(=C/c1c[nH]c2ccccc12)[C@H](C)O 1857763466 QTHQEOZEDOZWAD-XVBMGZJVSA-N 312.329 2.960 5 1 DFBF O=[N+]([O-])c1ccc(-c2nnc3n2N[C@H](c2cccs2)S3)o1 72178184 MNIADELHASPTBL-JTQLQIEISA-N 321.343 2.856 5 1 DFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263324 LHNWPMBCZKQPPS-UTLUCORTSA-N 321.764 2.877 5 1 DFBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262962 IMCIRQSOEXEXTP-FBIMIBRVSA-N 321.764 2.877 5 1 DFBF CC1(C)OC(=O)C[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586907199 UYOGDFVBXPFIBK-ZCFIWIBFSA-N 309.709 2.934 5 1 DFBF CN1C(=O)c2c(n3cccc3c3[nH]c4ccc(O)cc4c23)C1=O 28870950 NYVLHRJCHLIICV-UHFFFAOYSA-N 305.293 2.505 5 1 DFBF CCOC(=O)C=Cc1ccc(C=CC(=O)OCC)c([N+](=O)[O-])c1 2356860440 ZEZGLLAZELQSJI-UHFFFAOYSA-N 319.313 2.747 5 1 DFBF Cc1oc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc1[N+](=O)[O-] 587269605 VNPWLEZSBSDJKN-UHFFFAOYSA-N 305.221 2.877 5 1 DFBF Cc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1C 587265354 WWBOQOBGTPJPCP-FRRDWIJNSA-N 315.373 2.840 5 1 DFBF Nc1ncc(-c2nc3cnc4ccccc4c3[nH]2)cc1[N+](=O)[O-] 587267828 GMWHIFJRVVXUTO-UHFFFAOYSA-N 306.285 2.664 5 1 DFBF O=[N+]([O-])c1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1Cl 586889716 GTCIPYCVGIYVCJ-CYBMUJFWSA-N 319.704 2.912 5 1 DFBF COc1ccc2oc3cc(O)c(OC)c(OC)c3c(=O)c2c1 14764152 OFDFRKMEYPDRSD-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic COCCNc1ccc(-c2nc3cccnc3[nH]2)cc1[N+](=O)[O-] 587264104 AIPUMALAZDNKEW-UHFFFAOYSA-N 313.317 2.591 5 1 DFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(F)c(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587265228 VAANQOPCVKCQMK-HRDYMLBCSA-N 323.299 2.502 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(Cl)nc2[nH]1 587268267 ZIAHGNMSRVUONF-SSDOTTSWSA-N 306.713 2.634 5 1 DFBF Cc1oc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1[N+](=O)[O-] 587269668 YOLFRLLXYCKFMV-UHFFFAOYSA-N 313.195 2.848 5 1 DFBF Cn1c(COc2ccc(C=O)cc2)nc2cc([N+](=O)[O-])ccc21 103187983 AUEFCRWANXFMTR-UHFFFAOYSA-N 311.297 2.873 5 1 DFBF Cc1cccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 587261529 CCTXAHSRSYMSAJ-SDDRHHMPSA-N 301.346 2.532 5 1 DFBF COc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc(Cl)c1O 587046430 UIYVFCFGMNGZJT-UHFFFAOYSA-N 320.692 2.901 5 1 DFBF O=c1c2ccccc2nc2ccc(NCc3cccs3)nn12 5152289 SDJWAXRJYCULHD-UHFFFAOYSA-N 308.366 2.916 5 3 DFBF CN[C@@H](c1cccnc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587220886 DAVHSHMJKIGNDT-ZDUSSCGKSA-N 317.736 2.828 5 1 DFBF CCc1ccccc1NC(=O)c1nc2ncc([N+](=O)[O-])cc2[nH]1 587241635 ZTCVVCQELFSKIV-UHFFFAOYSA-N 311.301 2.681 5 1 DFBF O=[N+]([O-])c1ccc(Cl)cc1-c1ccc2c(O)nc(O)nc2n1 587368573 MCNWXHKQUJDXNU-UHFFFAOYSA-N 318.676 2.665 5 1 DFBF CNCCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O 3805663 MJESYACBFDIDSA-UHFFFAOYSA-N 304.349 2.808 5 1 DFBF Cc1nc(N2CCCC2)c([N+](=O)[O-])n1CC(=O)c1ccccc1 38846329 WHVXKIJBJWAATL-UHFFFAOYSA-N 314.345 2.583 5 1 DFBF O=C(O)c1cc(OCc2cccc([N+](=O)[O-])c2)cc(C(=O)O)c1 98209077 YOVLZJGSLBCISL-UHFFFAOYSA-N 317.253 2.570 5 1 DFBF in-vitro c1ccc2nc3cc4[nH]c(C[C@H]5COCCO5)nc4cc3nc2c1 586909949 KJSQHLDNSKOMAR-NSHDSACASA-N 320.352 2.617 5 1 DFBF Cc1cncc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 587270485 ZPCIFIQWKYKKHU-UHFFFAOYSA-N 312.285 2.566 5 1 DFBF CCOC(O)=C1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 2356848258 LKDNIFHSSXGPCK-LBPRGKRZSA-N 305.290 2.626 5 1 DFBF C=CC(=O)Nc1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 587245075 WKJBELWLFNDIHP-UHFFFAOYSA-N 309.285 2.658 5 1 DFBF CCOc1nc2c(O)nc3c(OC)c(OC)cc4ccn1c2c43 299819144 CZGQSPWCVXLDCM-UHFFFAOYSA-N 313.313 2.595 5 1 DFBF COC(=O)c1ccccc1SCCn1c([N+](=O)[O-])cnc1C 84669222 QUJCSRXSRSZJDH-UHFFFAOYSA-N 321.358 2.679 5 1 DFBF O=[N+]([O-])c1cccnc1NCc1nc2cc(F)c(F)cc2[nH]1 587268716 JWYPNIQYWZZAJZ-UHFFFAOYSA-N 305.244 2.756 5 1 DFBF COC(=O)C[C@H](C)Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587783311 NKQZYHOYLQTEBI-SSDOTTSWSA-N 311.725 2.866 5 1 DFBF C[C@H](F)[C@@H](N)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587124312 NDMBHDNCGUEDLP-MHTLYPKNSA-N 317.118 2.591 5 1 DFBF O=[N+]([O-])c1ccc2c(-n3cncn3)c(C3(Cl)CC3)[nH]c2c1 587644899 QKQNYVISMFLWFJ-UHFFFAOYSA-N 303.709 2.885 5 1 DFBF CC(C)NC(=O)c1cccn2c(=O)c3cc(Cl)ccc3nc12 425573 SPIKOXUOVQFIDG-UHFFFAOYSA-N 315.760 2.639 5 1 DFBF O=C(CCc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1 587163785 SXCGGHKVZNIDPY-UHFFFAOYSA-N 314.276 2.821 5 1 DFBF CCOc1ccccc1OCc1nc2cncc([N+](=O)[O-])c2[nH]1 587781180 RNQOIYZQGLFGRI-UHFFFAOYSA-N 314.301 2.844 5 1 DFBF CC1=CC[C@@H]2[C@@H](O[C@H](c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)O)[C@@H]1O 1772607215 VGMDTBYHXQIHGU-ZHCJQAHYSA-N 319.357 2.503 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(F)cc(F)c2[nH]1 587267849 SJOSGMULKIRDMB-SSDOTTSWSA-N 307.260 2.864 5 1 DFBF CCc1cc(C(N)=O)c(NC(=O)c2ccccc2[N+](=O)[O-])s1 95594918 WXMJNZZLRMCJKH-UHFFFAOYSA-N 319.342 2.570 5 1 DFBF C[N+](C)(C)C[C@H](O)COC(c1ccccc1)c1ccccc1 28218817 DQPXAOTVCLRWAV-SFHVURJKSA-N 300.422 2.860 5 1 DFBF O=C(O)c1ccc2oc3ccc(SCCO)cc3c(=O)c2c1 28256824 UHSWRFVJPFEERR-UHFFFAOYSA-N 316.334 2.729 5 1 DFBF C[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccc([N+](=O)[O-])cc1 29409461 YRRXXKFKXPJFCC-YGOACVGDSA-N 318.373 2.867 5 1 DFBF Cc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587261600 CMZBWFZGVRRRGO-SRVKXCTJSA-N 301.346 2.532 5 1 DFBF C/C(=C\C[C@@]12CCN(C)[C@@H]1[N+](C)(C)c1ccccc12)C(=O)O 43120701 DVBZNARPPNBKQX-IDPXHPCFSA-O 301.410 2.588 5 1 DFBF O=c1c2cc([N+](=O)[O-])ccc2nc(S)n1Cc1ccccc1 101339316 CAFCJNRLHXPRGN-UHFFFAOYSA-N 313.338 2.642 5 1 DFBF in-vivo Cc1cncc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12 587267931 ISUVDVYHYMMHMT-UHFFFAOYSA-N 300.322 2.543 5 1 DFBF O=c1ccc2cc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)ccc2o1 586918271 NBYHBMYLQUKUAY-UHFFFAOYSA-N 308.253 2.640 5 1 DFBF O=[N+]([O-])c1cc(-c2n[nH]c(-c3ccccc3)n2)cc([N+](=O)[O-])c1 8578801 RSVSVTFVNBBUOK-UHFFFAOYSA-N 311.257 2.955 5 3 DFBF Cc1ccc2nc3c(C(=O)NCCN(C)C)cccc3cc2c1 5553663 UUMYRTQITUWBQB-UHFFFAOYSA-N 307.397 2.988 5 1 DFBF CC1CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C1 103273297 ZUMLOCKAPDAWMX-UHFFFAOYSA-N 309.705 2.615 5 1 DFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(F)c(F)c2[nH]1 587270507 LDLQAEOOPMUKOE-NSHDSACASA-N 318.283 2.992 5 1 DFBF O=c1c2ccc(Cl)cc2oc2ccc(CNCCO)cc12 40875817 SFYKTKBAVAFDOD-UHFFFAOYSA-N 303.745 2.682 5 1 DFBF O=C1Nc2cc3ccccc3c3c4c(c(O)c(c23)C1=O)OCO4 238741601 WBSYCQJWUFPZEV-UHFFFAOYSA-N 307.261 2.562 5 1 DFBF COc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(Cl)n1 587083712 HQYDQKDHMWYQKC-UHFFFAOYSA-N 305.681 2.590 5 1 DFBF CS(=O)(=O)/C=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1 586926383 OFRPUMXYWSZVIH-VOTSOKGWSA-N 324.365 2.675 5 1 DFBF CC/C=C\C/C=C\CC[C@H](O)CNC(=O)CCC[N+](C)(C)C 137830905 QYFDYRHORFAECH-PEZQBHNISA-O 311.490 2.643 5 1 DFBF O=[N+]([O-])c1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1Cl 586958899 JYMDWQOLUOMWGX-HXUWFJFHSA-N 313.766 2.783 5 1 DFBF Cc1c([N+](=O)[O-])ccc2c1OC(C)(C)[C@@H](O)[C@@H]2N1CCCCC1 29345264 KASWWVKKRAGVNB-ZBFHGGJFSA-N 320.389 2.962 5 1 DFBF CC(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270106 KMZGWWJUZHDNIJ-AWEZNQCLSA-N 324.340 2.916 5 1 DFBF O=C1[C@@H]2CCCN2[C@@H](c2ccco2)N1c1ccc([N+](=O)[O-])cc1 1857559060 DCXJBGKWNBFPPT-DZGCQCFKSA-N 313.313 2.698 5 1 DFBF CCC(CC)Oc1cc([N+](=O)[O-])ccc1NS(C)(=O)=O 13682021 TZZBZBCVURIYPE-UHFFFAOYSA-N 302.352 2.534 5 1 DFBF CC(C)(C)OC(=O)N1COC[C@@H]1COc1ccc([N+](=O)[O-])cc1 1857752114 UOCKHCRQEZMOTG-GFCCVEGCSA-N 324.333 2.567 5 1 DFBF O=C(O)[C@H]1Cc2cc3c(=O)c4ccccc4oc3c(Cl)c2O1 26650543 FMKFPCKVSFHDTI-LLVKDONJSA-N 316.696 2.988 5 1 DFBF COc1c(O)cc2oc3oc4c(O)cccc4c3c(=O)c2c1O 238754354 FJDLTTUNCDGIJS-UHFFFAOYSA-N 314.249 2.818 5 1 DFBF O=C(c1cc(Cl)c(Cl)[nH]1)c1c(O)ccc([N+](=O)[O-])c1O 14683950 FVJUIPKDEAVUOI-UHFFFAOYSA-N 317.084 2.872 5 1 DFBF biogenic CCCc1c(C(=O)OC)[nH]c2c([N+](=O)[O-])cc3cn[nH]c3c12 96258219 BYRDVYHBGFNSSU-UHFFFAOYSA-N 302.290 2.692 5 1 DFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(F)cnc(Cl)c2[nH]1 587274243 OMNZQXSHBBZZGY-ZCFIWIBFSA-N 324.703 2.659 5 1 DFBF CC1(C)N(O)c2cc([N+](=O)[O-])cc(Br)c2[N+]1=O 1857543304 GUMZLRNGRUWYNF-UHFFFAOYSA-N 303.092 2.713 5 1 DFBF O=C(O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160216 MJEFGNFHHLIWIV-UHFFFAOYSA-N 301.233 2.975 5 1 DFBF O=C(O)c1cccc(-c2cn(-c3ccc([N+](=O)[O-])cc3)nn2)c1 473081239 AVHKGLBWQBMEGS-UHFFFAOYSA-N 310.269 2.541 5 1 DFBF O=Cc1ccc(OCCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 587566279 DRVVZZITTIJBTL-UHFFFAOYSA-N 311.297 2.905 5 1 DFBF Cc1cnc(Cl)c2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc12 587276831 NXFBOTFOCWNMST-MRVPVSSYSA-N 320.740 2.828 5 1 DFBF O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ccccc12 13863208 SQVFGSDZEHNBTN-UHFFFAOYSA-N 323.308 2.575 5 1 DFBF in-vitro O=[N+]([O-])c1cnc2[nH]c(C(C[C@H]3CCCN3)=C(F)F)nc2c1 587088618 QMRXLPLOLSUCPP-SSDOTTSWSA-N 309.276 2.616 5 1 DFBF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cncc([N+](=O)[O-])c4[nH]1)(C3)C2 587969621 RGPXKGUFRDXDLY-VWJBHBPUSA-N 312.329 2.513 5 1 DFBF O=[N+]([O-])c1cccnc1NCc1nc2c(F)cnc(Cl)c2[nH]1 587268536 CNDLWDDIMRZELT-UHFFFAOYSA-N 322.687 2.666 5 1 DFBF COC(=O)c1c(O)ccc2oc3cc(C)cc(OC)c3c(=O)c12 2356723198 BDWPFAQMLPOEPG-UHFFFAOYSA-N 314.293 2.755 5 1 DFBF COc1ccc2c(c1)c1c(n3c4ccccc4c(=O)n23)CCC1=O 1911576519 WFXQSJDOWFQJBP-UHFFFAOYSA-N 318.332 2.843 5 1 DFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(F)c(F)c2[nH]1 587274944 XHZMDPVFWJWQJT-ZETCQYMHSA-N 307.260 2.750 5 1 DFBF Cc1cc(C)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc2c1 587263316 LHMMMOHOUIOMLW-KGYLQXTDSA-N 315.373 2.840 5 1 DFBF COc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(Cl)n1 587083995 QLOFXWWNUWFZBT-UHFFFAOYSA-N 305.681 2.590 5 1 DFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263323 LHNWPMBCZKQPPS-OPRDCNLKSA-N 321.764 2.877 5 1 DFBF Cc1ccnc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)n1 587647306 VDSOXDKOFOZVIQ-UHFFFAOYSA-N 311.301 2.735 5 1 DFBF COc1c(O)cc2c3c1-c1ccccc1[C@H](O)[C@H]3[N+](C)([O-])CC2 14635262 JBVIBJNDYOGEFC-YGYNJSFOSA-N 313.353 2.656 5 1 DFBF O=C(O)C=CC(=O)Nc1ccc2c(c1)oc(=O)c1ccccc12 2356344365 HHGLRTMNBJCNJN-UHFFFAOYSA-N 309.277 2.526 5 1 DFBF CCCc1sc(N)nc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587012520 BKHYVVUUPCQLTK-UHFFFAOYSA-N 303.347 3.129 5 1 DFBF CC[C@H](O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586901499 QSUKIEHAGVBUDG-ZETCQYMHSA-N 300.112 2.677 5 1 DFBF O=Cc1ccc(OCCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 587566421 LZAAMMXOOJNKNZ-UHFFFAOYSA-N 311.297 2.905 5 1 DFBF Cc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1F 587261961 FKYCRDPHUCGPQD-MIMYLULJSA-N 319.336 2.671 5 1 DFBF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587162902 GGMAAUINZJZURI-ZDUSSCGKSA-N 315.308 2.656 5 1 DFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(F)c(F)c3[nH]2)[C@H]1C[N+](=O)[O-] 587265230 VAANQOPCVKCQMK-VGMNWLOBSA-N 323.299 2.502 5 1 DFBF NC(=O)Nc1cccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587242672 XHBJNAWBHUBFON-UHFFFAOYSA-N 315.264 2.768 5 1 DFBF CS(=O)(=O)/C=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1 586926382 OFRPUMXYWSZVIH-SREVYHEPSA-N 324.365 2.675 5 1 DFBF Nc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CC(=O)O)cc1 587647663 LROBJJZIBXHYBI-UHFFFAOYSA-N 311.297 2.952 5 1 DFBF Cc1cc(C)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 587263319 LHMMMOHOUIOMLW-WXHSDQCUSA-N 315.373 2.840 5 1 DFBF O=[N+]([O-])c1cccc(C2=NN[C@@H](c3ccc4c(c3)OCO4)C2)c1 96932536 FUSISEGLMOFJTR-CQSZACIVSA-N 311.297 2.762 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c(-c3csc4c3CCOC4)nc2c1 587032151 PTSHPNIOLCOTDX-UHFFFAOYSA-N 302.315 2.667 5 1 DFBF COc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cn1 587149910 WAJVCMLGBIHUSY-UHFFFAOYSA-N 318.264 2.593 5 1 DFBF CCO[P@@](=O)(NC(C)C)Oc1cc(C)c([N+](=O)[O-])cn1 96927534 WBOXXALKBMFNKY-FQEVSTJZSA-N 303.255 2.820 5 1 DFBF Cn1cc([N+](=O)[O-])c(C(=O)c2coc3ccc(Cl)cc23)n1 587278645 PYNUMDGOPNKBTJ-UHFFFAOYSA-N 305.677 2.959 5 1 DFBF O=c1[nH]c(=S)[nH]c2nc3ccc(Br)cc3cc12 103202952 NSGDFBBIZJRTND-UHFFFAOYSA-N 308.160 2.896 5 1 DFBF O=[N+]([O-])c1ccccc1S(=O)(=O)c1cccc2c1NCCC2 1640607 PYZIIXRFDQFOBL-UHFFFAOYSA-N 318.354 2.786 5 1 DFBF C[C@H]1C[N+]2(CCN(CCCc3ccccc3)CC2)C[C@H](C)O1 28961853 NIOUOTFEHJOUQM-ROUUACIJSA-N 303.470 2.559 5 1 DFBF C[N@@+]1([O-])CCc2cc3c(c4c2[C@H]1[C@@H](O)c1ccccc1-4)OCO3 255259748 PQQSHMZUVWGXSV-JENIJYKNSA-N 311.337 2.671 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccncc1[N+](=O)[O-])O2 587391727 XTMMNPLRFDRSHY-INIZCTEOSA-N 313.313 2.761 5 1 DFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(Cl)nc2[nH]1 587267962 KJZQZMZATHFMTJ-UHFFFAOYSA-N 320.740 2.888 5 1 DFBF Cc1[nH]c2c(C)cc(Cl)cc2c1Cn1cnc([N+](=O)[O-])n1 587627053 MMFWSETYQCSNCK-UHFFFAOYSA-N 305.725 2.986 5 1 DFBF CN[C@H](c1cccnc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587220885 DAVHSHMJKIGNDT-CYBMUJFWSA-N 317.736 2.828 5 1 DFBF Cc1nn(C)c(F)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280038 HKRSQJPCTRVFJB-UHFFFAOYSA-N 303.249 2.753 5 1 DFBF COc1nccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587148527 JMTIJXKJNUIPQW-UHFFFAOYSA-N 318.264 2.593 5 1 DFBF O=[N+]([O-])c1nccn1CCCNc1nc2ccccc2s1 96938753 KAQUPJAZNMGIAG-UHFFFAOYSA-N 303.347 2.903 5 1 DFBF COc1ccccc1-c1nnc2nnc3c4ccccc4[nH]c3n12 98085677 JGILAQQWXUBRJG-UHFFFAOYSA-N 316.324 2.829 5 1 DFBF Cc1cc2[nH]c(-c3cccc(N)c3C(=O)O)nc2cc1[N+](=O)[O-] 587250435 OWPFGGMYZNPOMY-UHFFFAOYSA-N 312.285 2.727 5 1 DFBF O=c1c(Nc2ccccc2)c(Nc2ccc([N+](=O)[O-])cc2)c1=O 137838993 KMDVWWHAJHLVKP-UHFFFAOYSA-N 309.281 2.678 5 1 DFBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 587160477 TVOZHNZPQKFGRX-UHFFFAOYSA-N 313.248 2.859 5 1 DFBF CCCCCNC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 35323637 ZNIVJKCFJPXVSR-UHFFFAOYSA-N 303.318 2.565 5 1 DFBF COc1cc(C)c2c(=O)c3c(O)c(OC)c(O)cc3oc2c1 14761274 MSFILNYKSUAMKK-UHFFFAOYSA-N 302.282 2.683 5 1 DFBF biogenic O=[N+]([O-])c1cc(Br)cc2nc([C@H]3CCOC3)[nH]c12 586911957 MVNCPJINOMKPDU-LURJTMIESA-N 312.123 2.738 5 1 DFBF COc1cc(O)c2c(=O)c3c(OC)cccc3oc2c1OC 14764370 UCRWOIYPAVUBCV-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic CC(C)c1onc(C(=O)Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-] 4937515 MMAQPHDTQGYKMZ-UHFFFAOYSA-N 319.273 2.687 5 3 DFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(Cl)ccnc2[nH]1 587270592 OAXOFGHWWFVVOI-NSHDSACASA-N 317.736 2.762 5 1 DFBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ncc[nH]c-4n3)c2)c1 587269758 OKAYNOYMENSDTI-UHFFFAOYSA-N 318.296 2.942 5 1 DFBF Nc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CC(=O)O)cc1 587647955 VJTVAUKIBITWSC-UHFFFAOYSA-N 311.297 2.952 5 1 DFBF N[C@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(F)cc1F 587149594 HRVVGHVOMPEJEW-ZDUSSCGKSA-N 304.256 2.797 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])cc1O)O2 587389281 KFJXBSLHOOOLHR-OAHLLOKOSA-N 314.297 2.898 5 1 DFBF COC(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cn1 587245839 ZNHSAPRIPBHZHJ-UHFFFAOYSA-N 313.273 2.711 5 1 DFBF O=C(O)c1cccc2c1CCN[C@@H]2c1cccc([N+](=O)[O-])c1F 963132485 QLZNUVCWPZNENV-HNNXBMFYSA-N 316.288 2.667 5 1 DFBF COc1cc(C(=O)O)cc2oc3cc(C)cc(O)c3c(=O)c12 238785334 CDOFUOUENPZVAF-UHFFFAOYSA-N 300.266 2.667 5 1 DFBF O=[N+]([O-])c1ccc(OCc2nc3cccc(O)c3[nH]2)cc1F 587148413 GPKKBFKKRZEJEB-UHFFFAOYSA-N 303.249 2.895 5 1 DFBF O=[N+]([O-])c1cc2nc(C(F)(F)C(F)F)[nH]c2cc1[N+](=O)[O-] 587088968 HBJWEANTMMHNDG-UHFFFAOYSA-N 308.147 2.736 5 1 DFBF COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)[N+](C)([O-])CC2 13545530 KVSLFKRSBHIWMO-VTBWFHPJSA-N 315.369 2.891 5 1 DFBF COc1nn(CCCN2CCCCC2)c2ccc([N+](=O)[O-])cc12 45339766 SXWSIICHDFYEAB-UHFFFAOYSA-N 318.377 2.829 5 1 DFBF Cc1nc(N[C@@H]2CC[C@@H](C)C2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821452 LGBAZLMOSICGHE-BXKDBHETSA-N 316.365 2.788 5 1 DFBF CN(C)CCNC(=O)c1cccc2cc3ccc(F)cc3nc12 29561792 OFFISPYIJLVWOY-UHFFFAOYSA-N 311.360 2.819 5 1 DFBF CC[C@H](C(=O)Oc1cc(C)[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 4248397 OFWQLUDVEHPBNY-LBPRGKRZSA-N 316.313 2.691 5 1 DFBF CCOc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-] 26500445 DDIURNOVEIWZCF-UHFFFAOYSA-N 315.281 2.923 5 1 DFBF CON1C(=O)C(=O)c2cc3c(c4c2c1cc1ccccc14)OCO3 13385024 XUJFJXWSVDREJO-UHFFFAOYSA-N 321.288 2.812 5 1 DFBF biogenic COc1cccc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)nn2)c1 1772636331 AVLNIRHHPXEBMS-UHFFFAOYSA-N 310.313 2.910 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(Cc3cccc([N+](=O)[O-])c3C1)O2 587391649 WJQXQVRRUUFQEM-SFHVURJKSA-N 324.336 2.988 5 1 DFBF COc1cc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2cc1Cl 587273705 KNVOJWYGLCMKCI-UHFFFAOYSA-N 321.724 2.686 5 1 DFBF O=[N+]([O-])c1cncc2nc(Cc3c(F)cncc3Cl)[nH]c12 587175300 BFGDDUVOPBZIIC-UHFFFAOYSA-N 307.672 2.644 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncccc1[N+](=O)[O-])O2 587389045 IRZGLKBJCRIMSE-INIZCTEOSA-N 313.313 2.761 5 1 DFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(F)cnc2[nH]1 587158844 KHTVMPYVODOHFY-UHFFFAOYSA-N 306.228 2.723 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587017514 XKVZFSYAZTURFU-JTQLQIEISA-N 317.330 2.841 5 1 DFBF Cc1cccc(C(=O)O)c1-c1c(C(=O)O)cccc1[N+](=O)[O-] 26498049 XNULPAMOVFAYEP-UHFFFAOYSA-N 301.254 2.967 5 1 DFBF COc1ccc(CNc2ccc([N+](=O)[O-])cc2N)c(OC)c1 72171002 IZZYFVBQBYYOAT-UHFFFAOYSA-N 303.318 2.806 5 1 DFBF Cc1cc2nc(-c3ccc(NC(N)=O)cc3)[nH]c2cc1[N+](=O)[O-] 587243694 PGXZONZCZYJBFX-UHFFFAOYSA-N 311.301 2.937 5 1 DFBF N[C@@H](Cc1ccccc1Cl)c1nc2cncc([N+](=O)[O-])c2[nH]1 587059106 NGGWTYPQDXRODU-JTQLQIEISA-N 317.736 2.762 5 1 DFBF CCOC(=O)Cc1nc2c3cccnc3c3ncccc3c2[nH]1 587777454 MDCPHAOSBSHBDY-UHFFFAOYSA-N 306.325 2.765 5 1 DFBF COc1cccc2c3c(n4c5ccccc5c(=O)n4c12)CCC3=O 1911583338 DNLVZCGHNZEEJT-UHFFFAOYSA-N 318.332 2.843 5 1 DFBF O=[N+]([O-])c1ccc(Cc2nc3ccc(O)cc3[nH]2)c([N+](=O)[O-])c1 587265392 TTYRNUSPATYLRF-UHFFFAOYSA-N 314.257 2.676 5 1 DFBF COc1c2c(cc3cc(O)c4c(=O)cc(C)oc4c13)CC[C@@H]2O 2356449233 GCTAQDMTBWQRQO-NSHDSACASA-N 312.321 2.948 5 1 DFBF Nc1ncc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1[N+](=O)[O-] 587267936 IYIVUQNDCLPLES-UHFFFAOYSA-N 324.222 2.529 5 1 DFBF NCc1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587247279 XRSGXDFIALMYKN-UHFFFAOYSA-N 313.273 2.505 5 1 DFBF CN(C)CCN1C(=O)c2cccc3c2c(cc2ncccc23)C1=O 26827353 ZGWPBSSOSCFOMG-UHFFFAOYSA-N 319.364 2.546 5 1 DFBF CCC(=O)N(c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1N(C)C 28234122 MLCHLSURSJWBKC-CABCVRRESA-N 305.378 2.821 5 1 DFBF O=[N+]([O-])c1cn(-c2c3cc4c(cc3nc3occc23)OCO4)cn1 29043873 HWKHAKCDXPSQQJ-UHFFFAOYSA-N 324.252 2.804 5 1 DFBF Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1ccccc1 72176786 TZXXWUAWBWQFHZ-BCPZQOPPSA-N 315.329 2.745 5 1 DFBF O=C(O)Cc1ccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 587959379 MMZORHIPOUXPFA-UHFFFAOYSA-N 311.297 2.689 5 1 DFBF C[C@]1(COc2ccc(Cl)cc2)Cn2cc([N+](=O)[O-])nc2O1 34086755 KWYWUAAPBSPLMX-CYBMUJFWSA-N 309.709 2.675 5 1 DFBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(Cl)cc3[nH]2)n1 587273516 KUFVABGOJXYOMD-UHFFFAOYSA-N 305.725 2.954 5 1 DFBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587274381 KFFYLNIHMGLTAP-UHFFFAOYSA-N 311.223 2.890 5 1 DFBF O=C1c2cc([N+](=O)[O-])ccc2NC2=C(Br)CCCN12 957560901 QCPHRKFEZRGCRG-UHFFFAOYSA-N 324.134 2.820 5 1 DFBF O=c1c2c(O)cccc2oc2c3c(cc(O)c12)O[C@H]1OC=C[C@H]31 14715662 RQQOEIJLJPCYJR-IWEMQMMOSA-N 310.261 2.703 5 1 DFBF endogenous,in-man O=c1c2c(O)cccc2oc2c3c(cc(O)c12)O[C@@H]1OC=C[C@H]31 14715666 RQQOEIJLJPCYJR-GJEGPGMTSA-N 310.261 2.703 5 1 DFBF endogenous,in-man CC1CCN([C@@H]2c3cc([N+](=O)[O-])ccc3OC(C)(C)[C@H]2O)CC1 29334130 MHHXHCORQSNHJO-CVEARBPZSA-N 320.389 2.900 5 1 DFBF Cc1nc(N(C)Cc2ccccc2)nc(-n2ccnc2)c1[N+](=O)[O-] 40764395 XDAPHMCXSYLWHV-UHFFFAOYSA-N 324.344 2.515 5 1 DFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(F)cc(F)c2[nH]1 587272995 CJDGORXDNTXHTF-ZETCQYMHSA-N 307.260 2.750 5 1 DFBF CN(C)CCNC(=O)c1cccc2cc3cccc(F)c3nc12 29557679 AGEZUOLFUNESDH-UHFFFAOYSA-N 311.360 2.819 5 1 DFBF Nc1c(C(=O)c2ccccc2)cnn1-c1cccc([N+](=O)[O-])c1 13682992 KKWUIEVKFPBUKH-UHFFFAOYSA-N 308.297 2.594 5 1 DFBF C[C@@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)n1cc([N+](=O)[O-])cn1 587277203 QNDJKLIDQVFPRJ-VIFPVBQESA-N 314.349 2.969 5 1 DFBF O=[N+]([O-])c1csc([C@@H]2NCCc3nc4ccccn4c32)c1 962983769 MKSVQDWVOSVFTM-ZDUSSCGKSA-N 300.343 2.539 5 1 DFBF COC(=O)c1cc2c3ccccc3[nH]c2c2cn(C3CC3)c[n+]12 299844757 YEIOUCKRICPBBO-UHFFFAOYSA-O 306.345 2.983 5 1 DFBF COC(=O)[C@@H]1C(C)=NC(SC)=N[C@@H]1c1cccc([N+](=O)[O-])c1 169713986 JLODCDVMKKTLDW-VXGBXAGGSA-N 321.358 2.619 5 1 DFBF Cc1nc2ccccc2c2nc(Nc3ccccc3)n(N)c(=O)c12 82152657 XMCHIMKELSEGBY-UHFFFAOYSA-N 317.352 2.711 5 1 DFBF COc1ccc2c(cc3c4c(cc(OC)c(O)c42)C(=O)N3)c1O 238751137 DQOOIMLCJZRUHW-UHFFFAOYSA-N 311.293 2.987 5 1 DFBF Nc1cccc(C(=O)O)c1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587248538 SRHGOKNHVCKABP-UHFFFAOYSA-N 316.248 2.558 5 1 DFBF CCOC(=O)/C(=C\N(C)C)c1[nH]c2cc([N+](=O)[O-])ccc2c1C 587647382 XTBCUANDPALFPU-LCYFTJDESA-N 317.345 2.850 5 1 DFBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(Br)cc2[nH]1 587274731 KOWGHIGAPURKHE-UHFFFAOYSA-N 322.122 2.634 5 1 DFBF O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)[C@H]1CN1CCCC1 1857567824 KHENKRSUPQQMCQ-HNNXBMFYSA-N 324.336 2.839 5 1 DFBF Cc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1C 587263133 KCRXFRXKESPHJD-WCFLWFBJSA-N 315.373 2.840 5 1 DFBF Cc1oc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1[N+](=O)[O-] 587268617 HCYFJOFMCGPJDD-UHFFFAOYSA-N 312.285 2.924 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(Cc3cccc([N+](=O)[O-])c3C1)O2 587391648 WJQXQVRRUUFQEM-GOSISDBHSA-N 324.336 2.988 5 1 DFBF O=[N+]([O-])c1cncc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587017806 ZXUWPZOLYRVZJF-JTQLQIEISA-N 317.330 2.841 5 1 DFBF COc1ccc2[nH]c3c(=O)c4ccccc4c(=O)c=3sc2c1 101626621 JJKQDZOFUCRUFF-UHFFFAOYSA-N 309.346 2.836 5 1 DFBF COc1c(O)c2c(=O)cc(C)oc2c2c(OC)cc(O)cc12 53229846 XFDCSEFARMXOMI-UHFFFAOYSA-N 302.282 2.683 5 1 DFBF C[C@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1cccc(Cl)c1 96929045 VFCBMZPXUWGQNL-PORFMDCZSA-N 307.737 2.996 5 1 DFBF NC1CC(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)C1 587255596 RMSMTHBYBNBBJD-UHFFFAOYSA-N 303.369 2.939 5 1 DFBF COc1ccc2c(c1)[C@H](c1nc[nH]c1[N+](=O)[O-])N(C(C)C)CC2 962094804 SRWJOEXUXSBJGV-OAHLLOKOSA-N 316.361 2.682 5 1 DFBF Cc1c2cnccc2c(C(=O)NCCN)c2[nH]c3ccccc3c12 1772605253 NZXKOFLAXXFPIV-UHFFFAOYSA-N 318.380 2.866 5 1 DFBF Cn1nc([N+](=O)[O-])cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587275140 WFBGGNQTRCJCMZ-UHFFFAOYSA-N 313.104 2.573 5 1 DFBF Cc1nc2c([N+](=O)[O-])csc2c(=O)n1CCc1ccccc1 1857550972 YHVYTALUZQTDHD-UHFFFAOYSA-N 315.354 2.917 5 1 DFBF COc1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c(F)c1 587148126 BCCGSPYHLCKPRB-UHFFFAOYSA-N 302.265 2.605 5 1 DFBF CC(=O)O[C@]12CC[N+]3(C)CCCC[C@@H]3[C-]1Nc1ccccc12 64734960 KLDOOBBDLRPWGF-MARPTJLWSA-N 300.402 2.805 5 1 DFBF C[C@@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccccc1Cl 96929058 GZWCBWIDMFWBOX-VQCYPWCPSA-N 307.737 2.996 5 1 DFBF Cc1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)cc1 653793320 WJTFRQULNCYSCC-UHFFFAOYSA-N 301.346 2.818 5 1 DFBF COC(=O)Cc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587783721 ZNUMNTXWMZRKIO-UHFFFAOYSA-N 311.297 2.854 5 1 DFBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(O)ncnc3[nH]2)o1 587266290 YDQZYOUYNMYMAQ-UHFFFAOYSA-N 323.268 2.894 5 1 DFBF COc1ccc(-c2noc(C[C@@H]3C[N+]4(C)CCC3CC4)n2)cc1 1857573354 DMHUSMLZUDAECG-DYDLGINISA-N 314.409 2.774 5 1 DFBF O=C(O)[C@@H]1Cc2c(c(Cl)cc3c(=O)c4ccccc4oc23)O1 26656335 MSXGSJANHGKCOA-LBPRGKRZSA-N 316.696 2.988 5 1 DFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(F)cc(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263410 MNQOPEANEUBWBZ-FKTZTGRPSA-N 323.299 2.502 5 1 DFBF Cn1ccc(=O)c2c1-c1nccc3c1c(nc1ccccc13)C2=O 2356788957 CSDUJLREJGECPB-UHFFFAOYSA-N 313.316 2.693 5 1 DFBF COc1cccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)c1 653798369 BEJVNYJXDQZHGN-UHFFFAOYSA-N 317.345 2.519 5 1 DFBF NC(=O)c1cccc(OCCCOc2ccc([N+](=O)[O-])cc2)c1 47360675 DPAMYCQWPTWHMJ-UHFFFAOYSA-N 316.313 2.542 5 1 DFBF CC(C)(C)c1ccc2oc3ncc(-c4nnn[nH]4)cc3c(=O)c2c1 27645881 SUSLZABNQGNUFG-UHFFFAOYSA-N 321.340 2.819 5 1 DFBF C[C@H](NC(=O)OC(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1 29339829 ZCLLTZLTCKDQNZ-SECBINFHSA-N 310.306 2.622 5 1 DFBF CC(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587268053 WDENQOYIAHSUNL-SECBINFHSA-N 313.317 2.788 5 1 DFBF CC(C)(C)c1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2n1 587268430 XODKSZKFMWTWQV-UHFFFAOYSA-N 312.333 2.808 5 1 DFBF C[C@H]1CCO[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C1 586917570 SIKRIUIRZIPIHO-MADCSZMMSA-N 306.278 2.867 5 1 DFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc(F)c2[nH]1 587270994 VPSHDJYMCCSVDB-LBPRGKRZSA-N 300.293 2.853 5 1 DFBF Cc1[nH]c2ccc(F)c(Cl)c2c1Cn1cnc([N+](=O)[O-])n1 587631648 SCGAYHYINSHGIU-UHFFFAOYSA-N 309.688 2.817 5 1 DFBF C[N+]1(C)CCc2cc3c(c4c2[C@H]1[C@H](O)c1ccccc1-4)OCO3 14615647 MHPMUXAECDHUQG-ZWKOTPCHSA-N 310.373 2.803 5 1 DFBF N[C@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1F 587150588 NGECBKYOLWXEBF-LBPRGKRZSA-N 304.256 2.797 5 1 DFBF NCCc1cc2cc[nH]c(=O)c2c2cc(Br)ccc12 28955823 LKQJSRFIFDDRIE-UHFFFAOYSA-N 317.186 2.945 5 1 DFBF COc1cc(-c2nc3cccnc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260896 LBFZQSGMPNWBKN-UHFFFAOYSA-N 300.274 2.550 5 1 DFBF O=C(O)[C@@H]1Cc2cc3c(=O)c4ccccc4oc3c(Cl)c2O1 26650538 FMKFPCKVSFHDTI-NSHDSACASA-N 316.696 2.988 5 1 DFBF COc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc(Cl)c1O 587046388 QYZMDBMIMGQNRU-UHFFFAOYSA-N 320.692 2.901 5 1 DFBF C[n+]1c2ccccc2nc2ccc(N[C@H]3CCCC[C@@H]3N)cc21 4172226 ZMIBXBIHMRRMMU-GJZGRUSLSA-O 307.421 2.894 5 1 DFBF Nc1nc(-c2ccc([N+](=O)[O-])cc2)cn2nc(-c3ccco3)nc12 28524113 WTVXQQWRSBNPJZ-UHFFFAOYSA-N 322.284 2.542 5 1 DFBF COc1c(F)cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1F 587134957 YBKQKJBERNFUDX-UHFFFAOYSA-N 306.228 2.820 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c(O)c1)O2 587390931 SLVKVNSEOCQBRH-OAHLLOKOSA-N 314.297 2.898 5 1 DFBF O=C1[C@H]2CCCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 14967154 PLZDCNWTFFRNNK-CQSZACIVSA-N 311.297 2.679 5 1 DFBF COc1ccc(C[N+]2([O-])CCc3cc(OC)c(O)cc3C2)cc1 14695656 GONDMXGMWLUSSK-UHFFFAOYSA-N 315.369 2.980 5 1 DFBF O=C1Nc2ccccc2N(O)N1c1ccc(F)c([N+](=O)[O-])c1 184488 NKDVKBDWDTYCNJ-UHFFFAOYSA-N 304.237 2.897 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587035772 SOFGMCANNXAGGU-LLVKDONJSA-N 316.342 2.784 5 1 DFBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(F)c(F)c2[nH]1 587269128 QOCACIWYLFPXFT-UHFFFAOYSA-N 305.244 2.756 5 1 DFBF CCn1c(=O)cc(C)c2cc3c(C)cc(=O)n4c3c(c21)OCCC4 1857567612 BNDFIMXVLUCMEE-UHFFFAOYSA-N 324.380 2.736 5 1 DFBF Cc1cc(N2CCOCC2)n2nc3nc4ccccc4cc3c2n1 299866119 OKMPTYLJKGIZFG-UHFFFAOYSA-N 319.368 2.576 5 1 DFBF O=[N+]([O-])c1cc2nc([C@H](O)C3CCOCC3)[nH]c2cc1Cl 586913823 PXUYPGPGJFPGLQ-GFCCVEGCSA-N 311.725 2.585 5 1 DFBF Cc1cc2[nH]c(CSc3cccc[n+]3[O-])nc2cc1[N+](=O)[O-] 586969816 YUHDOUOPRQPUSL-UHFFFAOYSA-N 316.342 2.705 5 1 DFBF Cc1ccc(C)c(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c1 15173333 XSVQLCUGLAFBLE-UHFFFAOYSA-N 321.358 2.603 5 1 DFBF Cn1ccc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)n1 587645765 CVCOLMVHTDYPJV-UHFFFAOYSA-N 320.255 2.978 5 1 DFBF CS[C@]1(Cc2ccccn2)C(=O)Nc2cccc([N+](=O)[O-])c21 5582034 UHHWDYRLXCGJSV-HNNXBMFYSA-N 315.354 2.743 5 1 DFBF O=[N+]([O-])c1ccccc1C1=[N+]([O-])c2ccccc2N2CCCN=C12 40859827 NDRKSFIXTFQWAU-UHFFFAOYSA-N 322.324 2.848 5 1 DFBF O=[N+]([O-])c1cccc([C@H]2NC(=S)N=C3CCCC(O)=C32)c1 617971635 BOBKFXCHXRMVNM-CYBMUJFWSA-N 303.343 2.961 5 1 DFBF O=[N+]([O-])c1ccc2c(c1)[C@@H](O)CN(CCc1ccccc1)CC2 1857759672 NJJIHOBVYYTMMJ-SFHVURJKSA-N 312.369 2.729 5 1 DFBF O=c1c2cc(Cl)ccc2cnn1-c1ccc([N+](=O)[O-])cc1 587652866 LRGXIJWDGCOBKH-UHFFFAOYSA-N 301.689 2.947 5 1 DFBF COC(=O)Cc1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587783023 COHLNCQPSPFVAL-UHFFFAOYSA-N 311.297 2.854 5 1 DFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(F)cnc3[nH]2)c1 587262768 XOEZSKWZWFBVCZ-UHFFFAOYSA-N 316.292 2.935 5 1 DFBF CNCCNc1nc2cc3ccccc3cc2c2c(C)cnn12 1911478 MZGNCCPVHUSMIB-UHFFFAOYSA-N 305.385 2.975 5 1 DFBF O=C1Cc2cnn(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2N1 28963985 HWPUSLASFFLVCY-UHFFFAOYSA-N 320.308 2.942 5 1 DFBF O=C(Nc1ccc(O)cc1[N+](=O)[O-])c1cc(Cl)ccc1O 35086661 OHDHEIYNYTUBMD-UHFFFAOYSA-N 308.677 2.912 5 1 DFBF COc1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270851 RXIDQGJFPGKWLO-ZDUSSCGKSA-N 312.329 2.722 5 1 DFBF Cc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1F 587261959 FKYCRDPHUCGPQD-INTQDDNPSA-N 319.336 2.671 5 1 DFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(F)c(F)cc2[nH]1 587269308 AKIOPHJNFUDCKU-LBPRGKRZSA-N 318.283 2.992 5 1 DFBF C[C@H](N=c1nc(O)c2nc3ccccc3nc2[nH]1)c1ccccc1 1857759473 DSWBMFFFLDFEPV-NSHDSACASA-N 317.352 2.874 5 1 DFBF CN1C(=O)[C@H]2Cc3ccccc3CCN2c2ccc([N+](=O)[O-])cc21 36470611 DJBBSUNNZHQEJI-QGZVFWFLSA-N 323.352 2.545 5 1 DFBF COc1c(F)cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1F 587134936 WXQYVCBXJDTTAI-UHFFFAOYSA-N 306.228 2.820 5 1 DFBF Cn1ncc(Cl)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280380 VEWIGXUYAHMGAX-UHFFFAOYSA-N 305.677 2.959 5 1 DFBF Nc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 1857581826 YIITZHMOHBILGK-UHFFFAOYSA-N 319.233 2.737 5 1 DFBF COc1cc(O)c2c(O)c3c(=O)oc(C)cc3c(OC)c2c1 6070314 VOYHBEQAOUCNID-UHFFFAOYSA-N 302.282 2.683 5 1 DFBF biogenic,in-vitro COc1cc2c(=O)c3ccc(O)cc3oc2c(OC)c1OC 14764582 CVRGANONEPHAFP-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic Cc1cc(F)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 587263456 MWQJRSUGEAKYMX-VWYCJHECSA-N 319.336 2.671 5 1 DFBF CC(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587272784 AJGFJESFHYSKEK-SECBINFHSA-N 313.317 2.674 5 1 DFBF O=[N+]([O-])c1cc(-c2ccc3c(O)nc(O)nc3n2)sc1Cl 587563728 WKENPCHPAWZLAY-UHFFFAOYSA-N 324.705 2.726 5 1 DFBF Cc1nccn1-c1nc(N(C)Cc2ccccc2)ncc1[N+](=O)[O-] 34032685 VBQYGRMHYOJRGD-UHFFFAOYSA-N 324.344 2.515 5 1 DFBF Nc1ncnc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587047200 DNXHSEUWTJTXML-RQOWECAXSA-N 316.708 2.667 5 1 DFBF O=C(CNCCCO)Nc1c2ccccc2cc2ccccc12 169329644 GPLONVQLIRBTGS-UHFFFAOYSA-N 308.381 2.904 5 1 DFBF O=C(/C=C/c1ccccc1[N+](=O)[O-])n1nnnc1-c1ccccc1 1857610254 IPCCILIHXVTBTF-ZHACJKMWSA-N 321.296 2.602 5 1 DFBF CS(=O)(=O)c1cccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 320287924 XXIBDPAZZMOSDI-UHFFFAOYSA-N 317.326 2.542 5 1 DFBF COc1cccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)c1 98085676 ZBDBDWXOEVXPLV-UHFFFAOYSA-N 316.324 2.829 5 1 DFBF CN(C)c1cccc(-n2cc(-c3cccc([N+](=O)[O-])c3)nn2)c1 473082639 JXIHYINCPWIRPL-UHFFFAOYSA-N 309.329 2.909 5 1 DFBF C[C@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)n1cc([N+](=O)[O-])cn1 587277202 QNDJKLIDQVFPRJ-SECBINFHSA-N 314.349 2.969 5 1 DFBF CC[C@H](O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586900878 NYOJVQOPFGJVPV-QMMMGPOBSA-N 300.112 2.677 5 1 DFBF CN1C(=O)[C@@H]2Cc3ccccc3CCN2c2ccc([N+](=O)[O-])cc21 36470612 DJBBSUNNZHQEJI-KRWDZBQOSA-N 323.352 2.545 5 1 DFBF O=C(O)c1ccccc1/C=C\c1nc2cc([N+](=O)[O-])cnc2[nH]1 586878145 AJNLUXQQVJJNMP-WAYWQWQTSA-N 310.269 2.735 5 1 DFBF Nc1ncnc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587047199 DNXHSEUWTJTXML-DUXPYHPUSA-N 316.708 2.667 5 1 DFBF Cc1cnc(Cl)c2[nH]c(CNc3ncccc3[N+](=O)[O-])nc12 587268840 MEALGUKTBLRRPA-UHFFFAOYSA-N 318.724 2.835 5 1 DFBF O=[N+]([O-])c1cccc(CCc2nc3ccc(CCO)cc3[nH]2)c1 587269834 HKVJTXPISVROMR-UHFFFAOYSA-N 311.341 2.791 5 1 DFBF C[C@H]1C[N+]2(CCN(C/C=C/c3ccccc3)CC2)C[C@H](C)O1 28961874 OPQOKDIEPTVMLW-TYKASLFTSA-N 301.454 2.639 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)cnc2[nH]1 587267314 IJRBFIVPJQYGDY-ZETCQYMHSA-N 306.713 2.634 5 1 DFBF CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1ccc([N+](=O)[O-])o1 32064546 YPCLBSZSSNQXIR-CQSZACIVSA-N 319.248 2.566 5 1 DFBF O=[N+]([O-])c1ccc(OCc2nc3cnc(Cl)[nH]c-3n2)cc1F 587148488 BDNWVLBRJUQCNY-UHFFFAOYSA-N 323.671 2.584 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 587035773 SOFGMCANNXAGGU-NSHDSACASA-N 316.342 2.784 5 1 DFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cnc3ccccc3c2[nH]1 587274757 SHCVLCQUXYUHSD-UHFFFAOYSA-N 308.301 2.573 5 1 DFBF Oc1ccccc1-c1nnc2nnc3c4ccccc4[nH]c3n12 98081960 UPWPYJHVRJWWMR-UHFFFAOYSA-N 302.297 2.526 5 1 DFBF Nc1ncnc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c12 587265156 PIEFJYNEWOWGDW-UHFFFAOYSA-N 322.284 2.770 5 1 DFBF Cc1ccnc2c1CCN[C@]2(C)c1cccc(F)c1[N+](=O)[O-] 963078112 WUFUMOOWFUPEIQ-MRXNPFEDSA-N 301.321 2.847 5 1 DFBF O=c1c2cc(-c3nnn[nH]3)cnc2oc2ccc3ccccc3c12 27648647 RAMRCSUBTUCPSZ-UHFFFAOYSA-N 315.292 2.675 5 1 DFBF COc1cc(OC)c2c(=O)c3c(OC)c(O)ccc3oc2c1 14764296 MBVZBXIYTFWCIV-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)[N@+](C)([O-])CC2 253928485 KVSLFKRSBHIWMO-VQIMIIECSA-N 315.369 2.891 5 3 DFBF COc1cccc(-c2nnc(-c3cc([N+](=O)[O-])cn3C)o2)c1 103287118 QLBMIXFLARIXPE-UHFFFAOYSA-N 300.274 2.659 5 1 DFBF COc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)n1-c1ccccc1 2356855669 PGBKSTFZDXTJOW-UHFFFAOYSA-N 311.297 2.545 5 1 DFBF Oc1cccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)c1 98081962 RSBLPOVVNMRXLT-UHFFFAOYSA-N 302.297 2.526 5 1 DFBF COc1cc(OCc2nc3c(C)ccnc3[nH]2)ccc1[N+](=O)[O-] 587261415 BCGBRMWWRRDMDQ-UHFFFAOYSA-N 314.301 2.762 5 1 DFBF Cc1nccc2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc12 587159747 WQOQNHQNRZPXMS-UHFFFAOYSA-N 302.265 2.893 5 1 DFBF OCCNCCNc1nc2ccccc2c2[nH]c3ccccc3c12 45357367 IFTITNRGLGRKOW-UHFFFAOYSA-N 320.396 2.863 5 1 DFBF Cc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1F 587261960 FKYCRDPHUCGPQD-LSJOCFKGSA-N 319.336 2.671 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc2c1 587175364 YTQLTQFGYPYWRU-LBPRGKRZSA-N 300.249 2.681 5 1 DFBF Cn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)cn1 587646460 UCWPMUNTEMXUPX-UHFFFAOYSA-N 320.255 2.924 5 1 DFBF COc1cc(-c2nc3cnccc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261178 XLVJSGQQLNLDJR-UHFFFAOYSA-N 300.274 2.550 5 1 DFBF CS(=O)(=O)/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1 586924641 DLLKKDZAPVJYOH-RMKNXTFCSA-N 324.365 2.675 5 1 DFBF CN1CCC[C@H]1COc1cc(Br)cc([N+](=O)[O-])c1 1772571241 LCRZRRHDFLYSKM-JTQLQIEISA-N 315.167 2.830 5 1 DFBF COc1cc(C(=O)O)c2c(=O)c3c(O)cc(C)cc3oc2c1 37538516 CWCPZOCKIFSLSG-UHFFFAOYSA-N 300.266 2.667 5 1 DFBF O=[N+]([O-])c1cccc(-c2nc(O)c3scc([N+](=O)[O-])c3n2)c1 1857577843 DYNKEMRXZILWHY-UHFFFAOYSA-N 318.270 2.880 5 1 DFBF CN(C)CCNC(=O)c1cccc2cc3cc(F)ccc3nc12 29562750 OLLYOQADAAFZNN-UHFFFAOYSA-N 311.360 2.819 5 1 DFBF C[C@@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc([N+](=O)[O-])cc1 101757520 YRRXXKFKXPJFCC-UGFHNGPFSA-N 318.373 2.867 5 1 DFBF COc1ccc(Cl)c2c1CCN[C@@H]2c1cncc([N+](=O)[O-])c1 963260112 WCECIOCZYPRMQN-OAHLLOKOSA-N 319.748 2.887 5 1 DFBF Cc1occc1-c1nnc2n1N[C@H](c1ccc([N+](=O)[O-])o1)S2 28712919 BEEWVGAHLWCZEM-NSHDSACASA-N 319.302 2.696 5 1 DFBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(F)c(F)c3[nH]2)[C@H]1C[N+](=O)[O-] 587265227 VAANQOPCVKCQMK-HLTSFMKQSA-N 323.299 2.502 5 1 DFBF O=C(Nc1cc2ccccc2oc1=O)c1ccc([N+](=O)[O-])cc1 5518187 HJKPDPIBJCBDPC-UHFFFAOYSA-N 310.265 2.954 5 1 DFBF CCOC(=O)c1c(-c2nccn2C)[nH]c2cc([N+](=O)[O-])ccc12 587647703 NHPZORJVWXAYFU-UHFFFAOYSA-N 314.301 2.653 5 1 DFBF O=c1[nH]c(=O)c2c1c1c3ccccc3nc1c1nc3ncccc3c12 169717868 FODXHGHYDBIJSQ-UHFFFAOYSA-N 324.299 2.562 5 1 DFBF C[C@@H](c1nc2ccc3ncccc3c2[nH]1)n1cc([N+](=O)[O-])cn1 587276345 KTDMSNGOWFWQLZ-VIFPVBQESA-N 308.301 2.825 5 1 DFBF CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 4020400 OAZTWXGUSUNZJW-ZACQAIPSSA-N 318.373 2.809 5 1 DFBF COc1cc2c3c(c1)oc(=O)c1cc(OC(C)=O)cc(c13)CC2 238732653 KJBCNVIVBNQTBQ-UHFFFAOYSA-N 310.305 2.979 5 1 DFBF N[C@@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1c1ccccc1F 587156049 LHLKIIXMBGDMGU-HWPZZCPQSA-N 312.304 2.952 5 1 DFBF CC(C)[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)N(C)C 587198215 BXPWCAYBWZZPKY-LBPRGKRZSA-N 307.310 2.638 5 1 DFBF C=C(NC(C)=O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587202235 BOYGLZHSSDTFMR-UHFFFAOYSA-N 303.325 2.766 5 1 DFBF COc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(OC)c1O 587785565 NQRKJIYUJBJUPE-UHFFFAOYSA-N 315.285 2.861 5 1 DFBF Cn1c([N+](=O)[O-])cnc1CCc1ccc(Br)cc1 40424946 LUMJVXSKSXUYLC-UHFFFAOYSA-N 310.151 2.876 5 1 DFBF Cc1nnc(SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 221007730 DTURUMXNURKHJW-UHFFFAOYSA-N 312.332 2.955 5 1 DFBF C[N+]1(C)CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)CC1 95557472 WTXRNRHQLRPDQO-HXUWFJFHSA-N 323.460 2.932 5 1 DFBF CC1(C)OC(=O)C[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586907198 UYOGDFVBXPFIBK-LURJTMIESA-N 309.709 2.934 5 1 DFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(F)c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263128 KAYNZKAXYLNNHV-IWSPIJDZSA-N 323.299 2.502 5 1 DFBF COc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1F 587268722 KCJZVEYGSBOGJC-UHFFFAOYSA-N 317.280 2.626 5 1 DFBF O=[N+]([O-])c1cccc(CCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587270949 XVXUARZPIXWAFL-UHFFFAOYSA-N 313.273 2.560 5 1 DFBF CN(C)[C@H]1CC[C@H](Oc2ncnc3ccc([N+](=O)[O-])cc23)CC1 1226437096 UCYLWJABRYZSHN-AULYBMBSSA-N 316.361 2.790 5 1 DFBF O=C(Nc1ccc(F)cc1)c1ccc(SC[N+](=O)[O-])nc1 145090513 HKMNTRDLYIHMSD-UHFFFAOYSA-N 307.306 2.799 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c([C@H]3Cc4cc(F)ccc4O3)nc2c1 587175363 YTQLTQFGYPYWRU-GFCCVEGCSA-N 300.249 2.681 5 1 DFBF Cc1cnc2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc2c1 587269319 LEGVXESVSHWAQE-UHFFFAOYSA-N 312.285 2.566 5 1 DFBF CCn1c2cc(Cl)c(N)cc2c(=O)c2c(O)cc(O)cc21 26260287 XEKGFCYILNFJFV-UHFFFAOYSA-N 304.733 2.821 5 1 DFBF Cn1cc(Nc2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1 40936271 QIMAQOUMOREGLL-UHFFFAOYSA-N 314.345 2.913 5 1 DFBF COc1cc(C)ccc1OCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587564369 JWQAZYWXEKRXTR-UHFFFAOYSA-N 314.301 2.762 5 1 DFBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cncnc4[nH]3)c2)c1 587269709 MNRKMTINUDNEHL-UHFFFAOYSA-N 318.296 2.990 5 1 DFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(O)cc2[nH]1 587268437 XUTUZPJBAWCYBO-UHFFFAOYSA-N 301.306 2.545 5 1 DFBF CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1c1ccc([N+](=O)[O-])o1 32064547 YPCLBSZSSNQXIR-AWEZNQCLSA-N 319.248 2.566 5 1 DFBF CC(=O)O[C@]12CC[N@+]3(C)CCCC[C@@H]3[C-]1Nc1ccccc12 253986895 KLDOOBBDLRPWGF-KPFFTGBYSA-N 300.402 2.805 5 1 DFBF COc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(OC)c1C 587785991 ACXKIBBDJJNHIP-UHFFFAOYSA-N 314.301 2.859 5 1 DFBF Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)c1ccc([N+](=O)[O-])cc1 103920955 RLCOFUWQEYTTHE-UHFFFAOYSA-N 323.308 2.613 5 3 DFBF CC(=O)N1N=C(c2ccc(C)cc2)O[C@@H]1c1ccc([N+](=O)[O-])o1 96913467 VIGIDYVIGKGRNR-OAHLLOKOSA-N 315.285 2.735 5 1 DFBF C[S@](=N)(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 60168531 YGRJKHZWABQEPV-QFIPXVFZSA-N 317.322 2.680 5 1 DFBF O=c1[nH]nc(Sc2ccc([N+](=O)[O-])s2)n1-c1ccccc1 40981309 IBOPBIZKCJUUCG-UHFFFAOYSA-N 320.355 2.682 5 1 DFBF N[C@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1c1ccccc1F 587156050 LHLKIIXMBGDMGU-MGPLVRAMSA-N 312.304 2.952 5 1 DFBF COc1ccc(Cl)c2c1CCN[C@H]2c1cncc([N+](=O)[O-])c1 963260110 WCECIOCZYPRMQN-HNNXBMFYSA-N 319.748 2.887 5 1 DFBF O=[N+]([O-])c1ccc(Cn2cc(COc3ccccc3)nn2)cc1 653798058 GNADMQXNAGKMKS-UHFFFAOYSA-N 310.313 2.814 5 1 DFBF CCOC(=O)c1c(-c2nccn2C)[nH]c2cccc([N+](=O)[O-])c12 587647801 QDAWUCXNDBDOCA-UHFFFAOYSA-N 314.301 2.653 5 1 DFBF Cc1ccc(-c2cc(NC[C@@H]3CCCO3)ncn2)cc1[N+](=O)[O-] 82162087 ZWRYWRJGNCJPTM-ZDUSSCGKSA-N 314.345 2.951 5 1 DFBF CN(c1ccc([N+](=O)[O-])cc1)c1nc(=O)c2cccnc2s1 148395647 JBVZWDOSCLZOKQ-UHFFFAOYSA-N 314.326 2.728 5 1 DFBF COc1cc(OC)c2oc3cccc(O)c3c(=O)c2c1OC 238749944 ZVYYLCRHHLHQRK-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF Cc1cc(F)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc2c1 587263454 MWQJRSUGEAKYMX-GARJFASQSA-N 319.336 2.671 5 1 DFBF Cc1ccnc2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc12 587269066 JSJYJEJJYADVOS-UHFFFAOYSA-N 312.285 2.566 5 1 DFBF COc1cc2oc3cc(O)cc(C)c3c(=O)c2c(O)c1OC 2356306108 DKBDWDMLGAJKKJ-UHFFFAOYSA-N 302.282 2.683 5 1 DFBF COC(=O)CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 29468431 KNQQZQBOAMLSCN-UHFFFAOYSA-N 314.725 2.920 5 1 DFBF Nc1ccc(C(=O)CCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 587251768 NLJHGVSUKPUXPQ-UHFFFAOYSA-N 310.313 2.869 5 1 DFBF COc1cccc(C(=O)O)c1-c1c(C(=O)O)cccc1[N+](=O)[O-] 26499913 PJPACZIWRCKTBW-UHFFFAOYSA-N 317.253 2.667 5 1 DFBF Cc1[nH]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1C 6556318 HLMSNQZZJAMDED-UHFFFAOYSA-N 316.342 2.814 5 3 DFBF COc1c([N+](=O)[O-])c2n(c1C)CCN2Cc1ccc(Cl)nc1 103184633 WEUGUUBLDNKQLQ-UHFFFAOYSA-N 322.752 2.782 5 1 DFBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cnncc2[nH]1 587109694 MCBOBCDFOWTFNX-UHFFFAOYSA-N 323.234 2.871 5 1 DFBF C[N@+]1([O-])CCc2cc3c(c4c2[C@@H]1[C@H](O)c1ccccc1-4)OCO3 257515093 PQQSHMZUVWGXSV-LMMKCTJWSA-N 311.337 2.671 5 1 DFBF endogenous,in-man O=[N+]([O-])c1cncc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587128877 FBSJTCPMGJTRRA-UHFFFAOYSA-N 321.243 2.572 5 1 DFBF CC1=CC[C@@H]2[C@@H](O[C@H](c3ccc([N+](=O)[O-])cc3)C[C@]2(C)O)[C@@H]1O 1772607213 VGMDTBYHXQIHGU-JJTUDDRGSA-N 319.357 2.503 5 1 DFBF COc1cc(OC)c2c(=O)c3ccc(O)c(OC)c3oc2c1 14764393 DYFBPDIJZTUATO-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic O=C(O)c1cccc2c1CCN[C@H]2c1cccc([N+](=O)[O-])c1F 963132488 QLZNUVCWPZNENV-OAHLLOKOSA-N 316.288 2.667 5 1 DFBF COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(OC)c2c1 1772491050 UMPIOBMYFRLDPN-UHFFFAOYSA-N 316.309 2.986 5 1 DFBF O=c1c(O)c(Nc2ccc([N+](=O)[O-])cc2)/c1=N/c1ccccc1 101046219 AKOAPCWAJHRTCE-LGMDPLHJSA-N 309.281 2.512 5 1 DFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc3c(c2[nH]1)CCCC3 587274218 OEHRLKAFIAXHBC-UHFFFAOYSA-N 311.345 2.903 5 1 DFBF COc1cc(OCc2nc3ccc(O)cc3[nH]2)ccc1[N+](=O)[O-] 587263624 XHDQSITWBIDRKN-UHFFFAOYSA-N 315.285 2.764 5 1 DFBF O=[N+]([O-])c1cccnc1NCc1nc2c(Cl)ccnc2[nH]1 587268593 GBECVLZEAWQYMR-UHFFFAOYSA-N 304.697 2.527 5 1 DFBF CN(C)/C(=C\[N+](=O)[O-])C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21 26159667 RENYMPDKUGZLFB-LCYFTJDESA-N 319.317 2.829 5 1 DFBF Cc1occc1-c1nnc2n1N[C@@H](c1ccc([N+](=O)[O-])o1)S2 28712920 BEEWVGAHLWCZEM-LLVKDONJSA-N 319.302 2.696 5 1 DFBF COc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12 29043487 SNCFYIQVKBGNRO-UHFFFAOYSA-N 323.304 2.810 5 1 DFBF COc1cc2oc3c4c(O)cc(O)cc4oc(=O)c3c2cc1O 238737967 XQZZABRKHASOAD-UHFFFAOYSA-N 314.249 2.818 5 1 DFBF COc1cncc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587148435 HMMKEUCUXPHPQW-UHFFFAOYSA-N 318.264 2.593 5 1 DFBF Cc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1C 587265352 WWBOQOBGTPJPCP-AVGNSLFASA-N 315.373 2.840 5 1 DFBF CCCc1c(O)ccc2c1O[C@H](c1nc[nH]c1[N+](=O)[O-])CC2=O 587470792 LXIHSAVYFHCGJM-LBPRGKRZSA-N 317.301 2.683 5 1 DFBF Nc1nccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 587270368 WNPFAWUBGIGNLX-UHFFFAOYSA-N 324.344 2.716 5 1 DFBF COc1cccc([C@]2(C)NCCc3ccc(O)cc32)c1[N+](=O)[O-] 963353008 OOUHOBNCMINYOQ-KRWDZBQOSA-N 314.341 2.718 5 1 DFBF O=C(OCCn1ccc2cc([N+](=O)[O-])ccc21)c1cccnc1 13524809 IMONJZKJNQABKJ-UHFFFAOYSA-N 311.297 2.802 5 1 DFBF COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12 1625754 QJSFFVIJJNVBNH-UHFFFAOYSA-N 304.350 2.515 5 1 DFBF Nc1[nH][nH]c(=NCc2ccccc2)c1-c1ccc([N+](=O)[O-])cc1 1857770807 KXCOWTCNWBZKIG-UHFFFAOYSA-N 309.329 2.601 5 1 DFBF CCOC(O)=C1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 2356848257 LKDNIFHSSXGPCK-GFCCVEGCSA-N 305.290 2.626 5 1 DFBF O=[N+]([O-])c1cncc2nc([C@H](O)c3ccccc3Cl)[nH]c12 587058228 DRHPFHZAPLZHCI-GFCCVEGCSA-N 304.693 2.601 5 1 DFBF Cc1ccc(OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])n1 21685806 KDJZMDIWLKLBRR-RTXFEEFZSA-N 321.377 2.618 5 1 DFBF CN(C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccco1 40915696 MRJALVOFKFJSMR-UHFFFAOYSA-N 303.318 2.872 5 1 DFBF O=C(Cc1ccc(Cl)cc1)c1nc2c([N+](=O)[O-])cncc2[nH]1 587071054 VIVBRXXVHNFAAW-UHFFFAOYSA-N 316.704 2.945 5 1 DFBF CNC(=O)[C@@H]1C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587234530 GPJXYODODYZOEM-VXGBXAGGSA-N 317.352 2.509 5 1 DFBF O=C(Nc1ccccc1Cl)c1nc2c([N+](=O)[O-])cncc2[nH]1 587060580 PEZFJCRXKMXHMA-UHFFFAOYSA-N 317.692 2.772 5 1 DFBF Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1cccs1 72177592 JKRYRPKUCCBKEH-BRAIEQGRSA-N 321.358 2.806 5 1 DFBF O=C(O)CCCc1cc(=O)n2c3ccccc3c3ccnc1c32 59254810 PNMZJHJOLNMFBK-UHFFFAOYSA-N 306.321 2.846 5 1 DFBF CC1(C)Oc2c(ccc3c(=O)c4ccccc4oc23)[C@H](O)[C@H]1O 13382563 NBRJYCDRCSSZRX-WMLDXEAASA-N 312.321 2.512 5 1 DFBF biogenic Nc1c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cnc2c(F)cccc12 587176305 KJMVZXNCEDPLQN-UHFFFAOYSA-N 324.275 2.803 5 1 DFBF Nc1ccc(F)c(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587141252 OKUOPGYFUDRBKW-UHFFFAOYSA-N 304.256 2.922 5 1 DFBF C[N+]1(COC(=O)[C@H](c2ccccc2)C2CCCC2)CCOCC1 27527100 WUTQZKBZCKIAEO-GOSISDBHSA-N 318.437 2.938 5 1 DFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(F)c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263129 KAYNZKAXYLNNHV-VGMNWLOBSA-N 323.299 2.502 5 1 DFBF CC1(C)CN(N2CCCC2=O)c2cc([N+](=O)[O-])ccc2S1 13525476 MMDYNCYLRKDODO-UHFFFAOYSA-N 307.375 2.823 5 1 DFBF Nc1nc2oc3ccc(C4CCC4)cc3c(=O)c2cc1C(=O)O 1857769907 WUDLJIYTGMJVGL-UHFFFAOYSA-N 310.309 2.889 5 1 DFBF CN1C(=O)C2=Cc3ccccc3CCN2c2ccc([N+](=O)[O-])cc21 84738791 HNTASGMNJXTQFR-UHFFFAOYSA-N 321.336 2.975 5 1 DFBF O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3n3nnnc23)c1 40403411 KHKMFBMQYIEJBU-CMDGGOBGSA-N 318.296 2.751 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[N+](=O)[O-])(c1ccccc1)O2 587389943 NZGGMVFFOUOYTQ-QGZVFWFLSA-N 312.325 2.715 5 1 DFBF O=c1c2c(O)cccc2oc2c3c(cc(O)c12)O[C@@H]1OCC[C@@H]31 14715676 WUSMTEDKVPWFDN-SKLCBMLGSA-N 312.277 2.580 5 1 DFBF endogenous,in-man O=c1c2cccnc2oc2cc(OC[C@@H]3CS3)cc(O)c12 49047702 FJXKVJWVJWRZSE-SECBINFHSA-N 301.323 2.541 5 1 DFBF Cc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587261598 CMZBWFZGVRRRGO-GRYCIOLGSA-N 301.346 2.532 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)cnc2[nH]1 587267313 IJRBFIVPJQYGDY-SSDOTTSWSA-N 306.713 2.634 5 1 DFBF Cc1cnc(Cl)c2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc12 587267732 PMGLHBZFOJJQGI-QMMMGPOBSA-N 320.740 2.942 5 1 DFBF O=[N+]([O-])c1cccc(CCc2nc3nc(Cl)c[nH]c-3n2)c1 587270781 UJLQJZIUPTXEIA-UHFFFAOYSA-N 303.709 2.651 5 1 DFBF COc1c(O)ccc2c(=O)c3c(O)cc4occc4c3n(C)c12 15222342 YVQYEEOGMKSXAW-UHFFFAOYSA-N 311.293 2.858 5 1 DFBF endogenous,in-man Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1O)O2 587388672 FYMKJASJHANOAZ-OAHLLOKOSA-N 314.297 2.898 5 1 DFBF COc1ccc2[nH]c3c(c2c1)CCN=C3c1cc([N+](=O)[O-])cn1C 28889389 LGTFLTXJSPOWDA-UHFFFAOYSA-N 324.340 2.817 5 1 DFBF Nc1cnc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)nc1 587252264 BKPMQSPFEBRTJX-UHFFFAOYSA-N 313.324 2.699 5 1 DFBF COc1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Cl 587275385 CZFVCOBGLSMVHA-SSDOTTSWSA-N 321.724 2.939 5 1 DFBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cnncc4[nH]3)c2)c1 587269885 IIMOAWIZSYULRV-UHFFFAOYSA-N 318.296 2.990 5 1 DFBF C[C@@H]1C(=O)[C@@H](C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C[C@H]1C 299848054 NVBSKHNFGFVDQQ-UJVNDKKSSA-N 323.732 2.861 5 1 DFBF Nc1ncc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1[N+](=O)[O-] 587267607 BMUMRHQANRXZQR-UHFFFAOYSA-N 324.222 2.529 5 1 DFBF Cc1ccnc2c1CCN[C@@]2(C)c1cccc(F)c1[N+](=O)[O-] 963078110 WUFUMOOWFUPEIQ-INIZCTEOSA-N 301.321 2.847 5 1 DFBF O=[N+]([O-])c1ccc2c(c1)C[C@H]([C@H](c1ccccc1)n1cncn1)O2 26187116 CZLPBYKBKVIBNS-SJORKVTESA-N 322.324 2.779 5 1 DFBF O=[N+]([O-])c1cccc(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)c1 96932535 FUSISEGLMOFJTR-AWEZNQCLSA-N 311.297 2.762 5 1 DFBF C[N+]12CCC(CC1)[C@H](Cc1nc(-c3cccc(F)c3)no1)C2 1857564430 QNTUXXYIOXEBEI-CURUXHCOSA-N 302.373 2.905 5 1 DFBF O=[N+]([O-])c1ccc(C2=[N+]([O-])c3ccccc3N3CCCN=C23)cc1 40849005 QSMNQQVNTGOOCK-UHFFFAOYSA-N 322.324 2.848 5 1 DFBF Cc1cnc2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc2c1 587268170 MRRKFSOJSNXDJC-UHFFFAOYSA-N 300.322 2.543 5 1 DFBF O=[N+]([O-])c1ccc(/C=C/CN2CC[N+]3(CCCC3)CC2)cc1 29332036 UZPBARSWUQEBMN-ONEGZZNKSA-N 302.398 2.534 5 1 DFBF CN1C(=O)[C@@H]2Cc3ccccc3CN2c2ccc([N+](=O)[O-])cc21 84651834 UCVADEZOFJVURI-INIZCTEOSA-N 309.325 2.503 5 1 DFBF COc1cc2c(=O)c3cccc(OC)c3oc2c(OC)c1OC 2356551573 LCAXBFDUSYZXOC-UHFFFAOYSA-N 316.309 2.981 5 1 DFBF O=C1NC(c2ccc([N+](=O)[O-])cc2)=CCN1c1ccc(O)cc1 299857634 FSMSZUNLYUQVHH-UHFFFAOYSA-N 311.297 2.871 5 1 DFBF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587961388 FQXJHMKPRZIEFM-JGVFFNPUSA-N 318.289 2.537 5 1 DFBF CCO[P@@](=O)(NC(C)C)Oc1nccc(C)c1[N+](=O)[O-] 96927528 QPUNBAQNKNLHKF-FQEVSTJZSA-N 303.255 2.820 5 1 DFBF O=[N+]([O-])c1ccc(NC(=S)OCCc2ccccn2)cc1 40829007 IOEXNVGANIOAHN-UHFFFAOYSA-N 303.343 2.946 5 1 DFBF O=[N+]([O-])c1ccc(S(=O)(=O)n2ccc3ccccc32)cc1 34998865 XJLBMIXVBVSLOP-UHFFFAOYSA-N 302.311 2.787 5 1 DFBF C[N@+]1([O-])CCc2cc3c(c4c2[C@H]1[C@H](O)c1ccccc1-4)OCO3 257515095 PQQSHMZUVWGXSV-SCTDSRPQSA-N 311.337 2.671 5 1 DFBF endogenous,in-man O=[N+]([O-])c1cncc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587035139 LWMVEYISMBOHIN-NSHDSACASA-N 316.342 2.784 5 1 DFBF O=[N+]([O-])c1cnc2nc(C3=Cc4cccc(O)c4OC3)[nH]c2c1 586908275 MQYXXNHEDOEARL-UHFFFAOYSA-N 310.269 2.505 5 1 DFBF Cn1cc(-c2cnc3ccc4ccc(O)cc4c(=O)c3c2)cn1 72109130 TUWYKTGWOOZYIM-UHFFFAOYSA-N 303.321 2.854 5 1 DFBF Cc1ccnc2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc12 587159566 RWJJNGQNWFIAJV-UHFFFAOYSA-N 302.265 2.893 5 1 DFBF Cc1nc(NC2CCCC2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821440 CSBRSJKGQUBGQG-UHFFFAOYSA-N 302.338 2.542 5 1 DFBF CC1CCN(C(=O)c2cc([N+](=O)[O-])c3cccnc3c2O)CC1 1857757199 HHAKGCKTOAFYNZ-UHFFFAOYSA-N 315.329 2.721 5 1 DFBF CCC(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1N(C)C 28234117 MLCHLSURSJWBKC-HUUCEWRRSA-N 305.378 2.821 5 1 DFBF Cc1nccc2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc12 587268219 PCWNPHSNBWBFIL-UHFFFAOYSA-N 300.322 2.543 5 1 DFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)ncc2[nH]1 587276402 LCSYBRVRFHBZMK-SSDOTTSWSA-N 306.713 2.520 5 1 DFBF O=[N+]([O-])c1cncc2nc(-c3csc4c3CCOC4)[nH]c12 587031706 LJMPATXIZQIHPC-UHFFFAOYSA-N 302.315 2.667 5 1 DFBF O=c1c2c(O)cccc2oc2c3c(cc(O)c12)O[C@H]1OCC[C@H]31 14715674 WUSMTEDKVPWFDN-IWEMQMMOSA-N 312.277 2.580 5 1 DFBF endogenous,in-man C/C=C1/C[N@@+]2([O-])CC[C@]34C=C(CO)[C@H]1C[C@@]32Nc1ccccc14 254043179 JAEYVIULIFERFK-LXFJGFNLSA-N 310.397 2.663 5 1 DFBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3CCOC3)[nH]c12 586911961 MVNCPJINOMKPDU-ZCFIWIBFSA-N 312.123 2.738 5 1 DFBF O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)[C@@H]1CN1CCCC1 1857567825 KHENKRSUPQQMCQ-OAHLLOKOSA-N 324.336 2.839 5 1 DFBF C[C@H]1CCC(=O)[C@H](C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O 103273287 GLBIUMDUJIGJPT-MADCSZMMSA-N 309.705 2.615 5 1 DFBF C[N@+]1([O-])CCc2cc3c(c4c2[C@@H]1[C@@H](O)c1ccccc1-4)OCO3 257515092 PQQSHMZUVWGXSV-AOIWGVFYSA-N 311.337 2.671 5 1 DFBF endogenous,in-man N[C@@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1c1ccccc1F 587156051 LHLKIIXMBGDMGU-QFYYESIMSA-N 312.304 2.952 5 1 DFBF COc1ccc2cc3c4c(cc(O)c(OC)c4c2c1)C(=O)C(=O)N3 14824353 GFUNSAYRGGSYID-UHFFFAOYSA-N 323.304 2.851 5 1 DFBF biogenic O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cncnc2[nH]1 587110258 XWBWZEQCZPSTLB-UHFFFAOYSA-N 323.234 2.871 5 1 DFBF Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O 587937457 SEYFFWCUVSJSHE-UHFFFAOYSA-N 313.107 2.868 5 1 DFBF Cc1nc(NC2CCCCC2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821441 QBNHPLFOZRGONH-UHFFFAOYSA-N 316.365 2.932 5 1 DFBF Nc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1F 587139750 TYXYUDUPOGMWJE-UHFFFAOYSA-N 317.236 2.768 5 1 DFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)ncc2[nH]1 587267957 JZHLKCNQBHKGNM-UHFFFAOYSA-N 320.740 2.888 5 1 DFBF O=[N+]([O-])c1cccc(CCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587270770 SXURUECWNLUPJG-UHFFFAOYSA-N 313.273 2.560 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncccc1[N+](=O)[O-])O2 587389048 IRZGLKBJCRIMSE-MRXNPFEDSA-N 313.313 2.761 5 1 DFBF COc1cc(C)ccc1OCc1nc2cncc([N+](=O)[O-])c2[nH]1 587564345 JHKGOAUUFQJILL-UHFFFAOYSA-N 314.301 2.762 5 1 DFBF Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cc1C 15174347 KNDZZXVHNSHIMQ-UHFFFAOYSA-N 321.358 2.603 5 1 DFBF COc1cc2c(cc1O)oc1oc3cc(O)cc(O)c3c(=O)c12 13437190 KOIJKAWJZPBTDR-UHFFFAOYSA-N 314.249 2.818 5 1 DFBF biogenic O=C(O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 219628889 CCBCIUCJBLCKON-UHFFFAOYSA-N 317.282 2.980 5 1 DFBF COc1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1C 587276810 NOEHXFKAAUYORQ-SECBINFHSA-N 301.306 2.594 5 1 DFBF COc1cc2oc3cc(OC)c(OC)cc3c(=O)c2cc1OC 14764601 AAUWXGMLESDQQF-UHFFFAOYSA-N 316.309 2.981 5 1 DFBF biogenic Cc1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2n1 587158307 BXMUSNOJLDOQBP-UHFFFAOYSA-N 302.265 2.893 5 1 DFBF CCOc1n[nH]c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1Cl 587064793 GEIDVYMBVWNSLF-UHFFFAOYSA-N 307.697 2.913 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)ccc1[N+](=O)[O-])O2 587391356 VYSJORXXOPXPBZ-OAHLLOKOSA-N 314.297 2.898 5 1 DFBF O=C1c2c(O)ccnc2-c2nc3c(O)cccc3c3ccnc1c23 2356808385 YSTRCOMTHGAZBD-UHFFFAOYSA-N 315.288 2.801 5 1 DFBF CC(CO)(CO)NCc1c2c3c(cccc3c3ccccc13)CC2 3791639 LOUZLGIOPQXIPS-UHFFFAOYSA-N 321.420 2.925 5 1 DFBF COc1cc(OC)c2c(=O)c3cc(N)c(Cl)cc3[nH]c2c1 40421367 NPDQUZURBAOYPQ-UHFFFAOYSA-N 304.733 2.934 5 1 DFBF CCOC(=O)c1nc2c(Cl)c3ncccc3cc2nc1O 1651703 IPWNOTBDUSNUBQ-UHFFFAOYSA-N 303.705 2.714 5 1 DFBF Cc1nc(NCCCn2ccnc2[N+](=O)[O-])c2ccccc2n1 73167008 JFALNUVMKIFFPD-UHFFFAOYSA-N 312.333 2.545 5 1 DFBF COc1cc2c3c(c1)c1cc(OC)c(OC)cc1c(=O)n3CC2 238788958 JDCNTAWLNJSKCK-UHFFFAOYSA-N 311.337 2.737 5 1 DFBF Cn1nc(C(=O)c2coc3ccc(Cl)cc23)cc1[N+](=O)[O-] 587277790 CBTHXTTZZQBZMH-UHFFFAOYSA-N 305.677 2.959 5 1 DFBF COc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1C 587267621 NTCNZDZCEIFFEP-SNVBAGLBSA-N 315.333 2.902 5 1 DFBF Oc1ccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)cc1 98081961 WNIRQNAFFDIQTD-UHFFFAOYSA-N 302.297 2.526 5 1 DFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccccc4[nH]3)nn2)c1 587268911 DELMCFAPHNWZHB-UHFFFAOYSA-N 306.285 2.719 5 1 DFBF CC(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587272785 AJGFJESFHYSKEK-VIFPVBQESA-N 313.317 2.674 5 1 DFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Cl)nc2[nH]1 587277579 YURIRWSGIYMRPO-ZETCQYMHSA-N 306.713 2.520 5 1 DFBF COc1cc(OC)c2c(=O)c3cccc([N+](=O)[O-])c3n(C)c2c1 5579963 ZIOJEGSNDOJKBF-UHFFFAOYSA-N 314.297 2.617 5 1 DFBF Cc1c(N(C)C)ccc2c(=O)c3cccc(CC(=O)O)c3oc12 150593676 FDRZJJVCYSGCRL-UHFFFAOYSA-N 311.337 2.948 5 1 DFBF CC(C)(O)[C@H]1Cc2cc3c(=O)c4cc(O)ccc4oc3cc2O1 210007893 DXQPEWNCYFLSCS-MRXNPFEDSA-N 312.321 2.726 5 1 DFBF COC(=O)Nc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cn1 587245838 ZNCAONPCNVSIGA-UHFFFAOYSA-N 313.273 2.711 5 1 DFBF O=C1O/C(=C\c2nc3cc([N+](=O)[O-])cnc3[nH]2)c2ccccc21 586905770 BLJZUWDKDNSWFU-SDQBBNPISA-N 308.253 2.535 5 1 DFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2nc(Cl)c[nH]c-2n1 587159784 YOHDMSOWSJFRRU-UHFFFAOYSA-N 323.671 2.584 5 1 DFBF O=c1nc2n(-c3ccccc3)c3ccc(Cl)cc3cc-2c(=O)[nH]1 96282714 FXRJGHFGRXIXMM-UHFFFAOYSA-N 323.739 2.832 5 1 DFBF Cc1nn(C)c(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1[N+]#N 95573553 SCXZBKYMFAXEEK-UHFFFAOYSA-O 302.274 2.765 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(F)cc(F)c2[nH]1 587267850 SJOSGMULKIRDMB-ZETCQYMHSA-N 307.260 2.864 5 1 DFBF O=c1cc(O)oc2c1c(=O)n(Cc1ccccc1)c1ccccc21 101886540 OUQLVFIVQQFUGE-UHFFFAOYSA-N 319.316 2.862 5 1 DFBF NC(=O)/C=C\c1c2ccccc2c(/C=C/C(N)=O)c2ccccc12 209424410 SBIFLBYCFKVJIF-DSOJMZEYSA-N 316.360 2.990 5 1 DFBF Cc1c(F)ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587274560 QALUYMALNOGTFQ-QMMMGPOBSA-N 303.297 2.919 5 1 DFBF CC(=CCc1cccc2nc3cccc(C(=O)O)c3nc12)CO 2356630553 VJNPRSAWVPWWEV-UHFFFAOYSA-N 308.337 2.962 5 1 DFBF COC(=O)Cc1cccc2c(=O)c3ccc4c(c3oc12)C[C@@H](C)O4 27554395 KGOAOPBTTKJUNJ-SNVBAGLBSA-N 324.332 2.985 5 1 DFBF Cc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1nc2ccccc2o1 5891832 KIKAUYCQFRYPET-UHFFFAOYSA-N 303.299 2.884 5 1 DFBF COc1ccc(C2=NCCn3nc4cc([N+](=O)[O-])ccc4c32)cc1 36383459 LERVUVNFXBLHOU-UHFFFAOYSA-N 322.324 2.804 5 3 DFBF CC(C)(CO)[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2OCCC[C@H]21 73140067 DGJSPTQAOYAGFJ-UGFHNGPFSA-N 306.362 2.875 5 1 DFBF O=[N+]([O-])c1cccc(/C=C/CN2CC[N+]3(CCCC3)CC2)c1 29334613 HLBUIQBNNYBNIM-GQCTYLIASA-N 302.398 2.534 5 1 DFBF O=C(O)c1cccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 587160584 XBNCDWODQYXPNR-UHFFFAOYSA-N 301.233 2.975 5 1 DFBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3CCOC3)[nH]c12 586913039 ZMFZHZHVVTYOII-LURJTMIESA-N 312.123 2.738 5 1 DFBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-n1nc([N+](=O)[O-])cc1C 587647769 OTNZHQBPTWCMBV-UHFFFAOYSA-N 301.262 2.787 5 1 DFBF CC(C)c1ccc2oc3ncc(-c4nnn[nH]4)cc3c(=O)c2c1 27645887 AIPFSLTYZFSPOH-UHFFFAOYSA-N 307.313 2.645 5 1 DFBF COc1cc2cn3c4ccc(O)cc4nc(N)c3c2cc1OC 299858837 HBWFREGIYNIAPX-UHFFFAOYSA-N 309.325 2.946 5 1 DFBF Cc1ccc(C)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc12 587261896 DPFKJKDZVFQAHR-AVGNSLFASA-N 315.373 2.840 5 1 DFBF O=[N+]([O-])c1cncc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 587174120 MRNOBPNBSCUWLT-LBPRGKRZSA-N 300.249 2.681 5 1 DFBF COc1ccc2oc3cc(O)cc(OC)c3c(=O)c2c1OC 14764294 PFYCSPHUMLCQIK-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic O=C(Sc1cccnc1C(=O)O)c1ccc([N+](=O)[O-])cc1 169323694 NZLDHPPPENMQDZ-UHFFFAOYSA-N 304.283 2.621 5 1 DFBF O=[N+]([O-])c1ccc(N2CC[N+]3(CCc4ccccc43)CC2)cc1 66079392 UPVPHXLRSHPJHP-UHFFFAOYSA-N 310.377 2.978 5 1 DFBF CN1C[C@H]2CN(c3ccc(-c4cccc([N+](=O)[O-])c4)nc3)C[C@H]2C1 40973813 VTXUYRIXSBWHGX-GASCZTMLSA-N 324.384 2.655 5 1 DFBF C=CC(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 587243394 FKHVXNCSAACTAP-UHFFFAOYSA-N 309.285 2.658 5 1 DFBF COc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1C 587272768 BKRLJDKIZXJMKD-UHFFFAOYSA-N 315.333 2.617 5 1 DFBF COc1cc2c(=O)c3c(OC)cccc3oc2c(OC)c1OC 14764570 IKRQMVIAJVRXLO-UHFFFAOYSA-N 316.309 2.981 5 1 DFBF biogenic O=C(Nc1ccccc1Cl)c1nc2ncc([N+](=O)[O-])cc2[nH]1 587060117 AFTKECJGSZXNOF-UHFFFAOYSA-N 317.692 2.772 5 1 DFBF CN(C)c1c2c(c3nc4ccccc4c4c[nH]c1c34)=NCCC2=O 136821029 NSFUYOAYRIJYGG-UHFFFAOYSA-N 316.364 2.860 5 1 DFBF O=[N+]([O-])c1ccc2c(c1)C[C@@H]([C@@H](c1ccccc1)n1cncn1)O2 26187111 CZLPBYKBKVIBNS-DLBZAZTESA-N 322.324 2.779 5 1 DFBF CC(C)(CO)[C@@H](O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586900333 FZXJJBBZOPTKCX-INIZCTEOSA-N 322.368 2.711 5 1 DFBF CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2cc([N+](=O)[O-])ccc12 587647627 KPRSVJGVHREOEG-UHFFFAOYSA-N 314.301 2.653 5 1 DFBF C[C@H](c1nc2cnc3ccccc3c2[nH]1)n1cc([N+](=O)[O-])cn1 587277452 WHIWNBGOWMTQOP-SECBINFHSA-N 308.301 2.825 5 1 DFBF CNC(=S)C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 16934 YHZOAJUGGHFNBD-UHFFFAOYSA-N 314.313 2.595 5 1 DFBF COc1cc(OC)c2c(=O)c3cc(N)c(Cl)cc3n(C)c2c1 34620474 OOJNNOHTMRWBNJ-UHFFFAOYSA-N 318.760 2.945 5 1 DFBF Nc1ncc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2n1 587265177 PMYVRUNOJXUWFI-UHFFFAOYSA-N 322.284 2.770 5 1 DFBF Nc1nc(N)c2cc3ccc(OCc4ccccc4)cc3nc2n1 45303055 VOUYAAKLFBRHFT-UHFFFAOYSA-N 317.352 2.921 5 1 DFBF COc1cccc(-n2cc(-c3cccc([N+](=O)[O-])c3)[nH]c2=O)c1 299861905 MDGROKONWAYPDR-UHFFFAOYSA-N 311.297 2.749 5 1 DFBF COc1cc(-c2nc3cncc(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260710 ATNUIUBSJABENT-UHFFFAOYSA-N 314.301 2.859 5 1 DFBF CC[C@@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 13581053 LMARIDXGCLHEQB-LLVKDONJSA-N 306.240 2.713 5 1 DFBF C[C@@H]1C[N+]2(CCN(CCCc3ccccc3)CC2)C[C@@H](C)O1 28961843 NIOUOTFEHJOUQM-QZTJIDSGSA-N 303.470 2.559 5 1 DFBF CC(C)(CC(=O)OCC[N+]1(C)CCCCC1)N(Cl)Cl 43062146 RYZGSXSGSNWSKB-UHFFFAOYSA-N 312.261 2.938 5 1 DFBF O=C(Cc1ccc(Cl)cc1)c1nc2ncc([N+](=O)[O-])cc2[nH]1 587069956 NJSLBBZAXMYDQR-UHFFFAOYSA-N 316.704 2.945 5 1 DFBF Nc1cnc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)nc1 587252254 BBPZPFCASZYVND-UHFFFAOYSA-N 313.324 2.699 5 1 DFBF O=[N+]([O-])c1cc(-c2nc3ccccc3[nH]2)nn1CC(F)(F)F 587092031 LEAVJDOXYICWPP-UHFFFAOYSA-N 311.223 2.897 5 1 DFBF Cc1oc(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)cc1[N+](=O)[O-] 587268532 CINBYBXCUDIVBP-UHFFFAOYSA-N 314.301 2.741 5 1 DFBF NC(=O)/C=C/c1c2ccccc2c(/C=C/C(N)=O)c2ccccc12 169321715 SBIFLBYCFKVJIF-WGDLNXRISA-N 316.360 2.990 5 1 DFBF COc1cccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12 587268363 TVNORPKBMRRQMM-UHFFFAOYSA-N 315.333 2.848 5 1 DFBF O=[N+]([O-])c1ccc([C@](O)(c2ccccc2)c2cncnc2)cc1 28769615 QYEGTISZRWIKGU-QGZVFWFLSA-N 307.309 2.669 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@](C[N+](=O)[O-])(c1ccccc1)O2 587389939 NZGGMVFFOUOYTQ-KRWDZBQOSA-N 312.325 2.715 5 1 DFBF COc1cccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587268125 XFHLNFHDOIWPOU-SECBINFHSA-N 301.306 2.594 5 1 DFBF C[C@H](F)[C@H](N)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587125150 RLPYUYATHKEJJR-NVNXEXLPSA-N 317.118 2.591 5 1 DFBF Cn1cc(C(=O)c2nccc3c2cnc2ccccc23)ccc1=O 1662984 AGMRHCOVPCVBCM-UHFFFAOYSA-N 315.332 2.713 5 1 DFBF CCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21 3961189 XHYODIHHGBANJG-UHFFFAOYSA-N 323.396 2.675 5 1 DFBF Cc1cncc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587158814 JXCVALHFKNMVMM-UHFFFAOYSA-N 302.265 2.893 5 1 DFBF CCNC(=O)CCc1nc2c3cccnc3c3ncccc3c2[nH]1 587229725 BZANRAVLINGDLY-UHFFFAOYSA-N 319.368 2.728 5 1 DFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(F)c2[nH]1 587268141 LSHBABMBBVGSHP-UHFFFAOYSA-N 303.297 2.978 5 1 DFBF C[S@@](=N)(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 141016575 YGRJKHZWABQEPV-JOCHJYFZSA-N 317.322 2.680 5 1 DFBF CC(C)[C@H](N)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587259030 PHEUHSXUNOOZNW-QMMMGPOBSA-N 313.155 2.889 5 1 DFBF O=C1c2ccccc2-c2nc(-c3cccc([N+](=O)[O-])c3)nnc21 1857266 UXOQLMUKTMDTGC-UHFFFAOYSA-N 304.265 2.658 5 1 DFBF Nc1ncc(-c2nc3cc(Cl)cc(F)c3[nH]2)cc1[N+](=O)[O-] 587268461 YUYDXTRLIIKXAJ-UHFFFAOYSA-N 307.672 2.908 5 1 DFBF CC(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1 28957228 ONNJUEVXQWSJGG-UHFFFAOYSA-N 312.285 2.807 5 1 DFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(F)cc(F)c2[nH]1 587270819 QRKHSZLOFUBGSJ-LBPRGKRZSA-N 318.283 2.992 5 1 DFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(F)cc4[nH]3)nn2)c1 587268798 AOTGJFZITOYNTG-UHFFFAOYSA-N 324.275 2.858 5 1 DFBF O=[N+]([O-])c1ccc(COc2cccc(Cn3cncn3)c2)cc1 1857641386 CYKDSJRBORYVBS-UHFFFAOYSA-N 310.313 2.814 5 1 DFBF COC(=O)c1c(C)nc(SC)nc1-c1cccc([N+](=O)[O-])c1 29315227 HTWKDHJIKGLZBR-UHFFFAOYSA-N 319.342 2.869 5 1 DFBF COc1cc(O)c2c(=O)oc3cc(OC(C)=O)cc(C)c3c2c1 141855228 LVYFGKPAJPVCMM-UHFFFAOYSA-N 314.293 2.894 5 1 DFBF Cn1cc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cn1 587645924 FGYRGZXNSQFPTE-UHFFFAOYSA-N 320.255 2.978 5 1 DFBF C[C@@H](F)[C@@H](N)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587124309 NDMBHDNCGUEDLP-CLZZGJSISA-N 317.118 2.591 5 1 DFBF CCOC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1CCCC1 587648344 DKKUQGFTLUVVHV-UHFFFAOYSA-N 317.345 2.782 5 1 DFBF CCNC(=O)CCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587231680 ZFOIQKFOLIHKJS-UHFFFAOYSA-N 319.368 2.728 5 1 DFBF O=[N+]([O-])c1cc(Cl)ccc1-c1ccc2c(O)nc(O)nc2n1 587368578 MFHRZGBNWHBNJU-UHFFFAOYSA-N 318.676 2.665 5 1 DFBF CS(=O)(=O)c1cccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 586927191 VEKVHAIQKPZCGF-UHFFFAOYSA-N 317.326 2.542 5 1 DFBF Cc1ccnc2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc12 587268485 ZXRLRPPGSGKGKY-UHFFFAOYSA-N 300.322 2.543 5 1 DFBF CC(C)(SCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)O 586961058 ZZZKMDXKDADJJD-UHFFFAOYSA-N 313.310 2.707 5 1 DFBF Cc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1F 587273954 LSMHIZWATZKNCQ-SECBINFHSA-N 303.297 2.919 5 1 DFBF O=[N+]([O-])c1cc(/C=C\c2nc3cnnc(O)c3[nH]2)ccc1Cl 587047733 LPDLIYCYELVLMS-RQOWECAXSA-N 317.692 2.791 5 1 DFBF CNC(=O)[C@H]1C[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587234528 GPJXYODODYZOEM-RYUDHWBXSA-N 317.352 2.509 5 1 DFBF O=c1c2cc([N+](=O)[O-])ccc2[nH]n1Cc1ccccc1Cl 1645551 LTIVKATZDMMDHZ-UHFFFAOYSA-N 303.705 2.940 5 1 DFBF Cc1[nH]cnc1Cn1cccc(-c2cccc([N+](=O)[O-])c2)c1=O 26977156 XILBCPNYXRJHFG-UHFFFAOYSA-N 310.313 2.503 5 1 DFBF Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)cc1[N+](=O)[O-] 169296340 FUMNLCOHMGSPJE-FIXIBIHLSA-N 312.325 2.605 5 1 DFBF O=C(CCc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(F)cc1 587164243 ZEXSIVVQALHEFE-UHFFFAOYSA-N 314.276 2.821 5 1 DFBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cncnc3[nH]2)c1 587268672 BBDICDOKFNQFDZ-UHFFFAOYSA-N 310.317 2.528 5 1 DFBF O=C(O)/C=C\c1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586880194 ORAXTEKKOFUZMB-WAYWQWQTSA-N 310.269 2.631 5 1 DFBF CC[C@H](C)Oc1cc(NC(C)=O)c([N+](=O)[O-])cc1C(=O)OC 40956577 LQYRBYQAPRDQIE-QMMMGPOBSA-N 310.306 2.517 5 1 DFBF CNC(=O)[C@@H]1C[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587236594 YEFLHAADCTZLDO-NXEZZACHSA-N 317.352 2.509 5 1 DFBF Cc1cnc2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 587263566 CDRHDQSDWZFHNN-UHFFFAOYSA-N 313.273 2.674 5 1 DFBF CCO[P@](=O)(NC(C)C)Oc1nccc(C)c1[N+](=O)[O-] 96927529 QPUNBAQNKNLHKF-HXUWFJFHSA-N 303.255 2.820 5 1 DFBF CCOC(=O)c1n[nH]c2c3nc4ccccc4c-3c(Cl)nn12 26821188 KVSAPZRAGHZYBX-UHFFFAOYSA-N 315.720 2.541 5 1 DFBF O=C(O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587270917 XATGLEOQXKTZSE-UHFFFAOYSA-N 311.297 2.955 5 1 DFBF O=C(NCCCc1ccccc1)Nc1ncc([N+](=O)[O-])s1 1857585357 LXUZJOQMFMWQQL-UHFFFAOYSA-N 306.347 2.806 5 1 DFBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(Br)o3)nc12 587006352 HDVHKNXQEOSRCC-UHFFFAOYSA-N 309.079 2.889 5 1 DFBF COc1cc(OCc2nc3c(C)nccc3[nH]2)ccc1[N+](=O)[O-] 587263728 ZWHGFHIXQVASBN-UHFFFAOYSA-N 314.301 2.762 5 1 DFBF COc1cc(OCc2nc3cncc(C)c3[nH]2)ccc1[N+](=O)[O-] 587261968 KBCHBMXCXIJDKW-UHFFFAOYSA-N 314.301 2.762 5 1 DFBF C[C@@]1(c2ccc([N+](=O)[O-])s2)c2ccsc2CCN1C(N)=O 962708003 JFBDTDUBVNTOCO-ZDUSSCGKSA-N 323.399 2.918 5 1 DFBF Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1ccccc1 72176785 TZXXWUAWBWQFHZ-IDVQTMNDSA-N 315.329 2.745 5 1 DFBF CN(C)[C@H](c1ccc(F)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587162840 FDCGOYLOBUFIIC-CQSZACIVSA-N 315.308 2.656 5 1 DFBF Nc1ncc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] 587268483 ZXQHRQBPRCKYQL-UHFFFAOYSA-N 309.207 2.533 5 1 DFBF COc1n[nH]c(C(=O)c2coc3ccc(Cl)cc23)c1[N+](=O)[O-] 587278773 TURZHWUTVOKZKZ-UHFFFAOYSA-N 321.676 2.957 5 1 DFBF Cc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1F 587261958 FKYCRDPHUCGPQD-DVVUODLYSA-N 319.336 2.671 5 1 DFBF O=c1cc(O)oc2c1c(=O)n(-c1ccccc1)c1ccccc21 18037896 NKFOCHSBAZWDDK-UHFFFAOYSA-N 305.289 2.803 5 1 DFBF CCOc1n[nH]c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1Cl 587065450 QVMQMHMARWPCMB-UHFFFAOYSA-N 307.697 2.913 5 1 DFBF COc1c(OC)c2ccc3cc(O)cc4oc(=O)c(c1O)c2c34 14616150 QFICSAWJHMZJNN-UHFFFAOYSA-N 312.277 2.966 5 1 DFBF biogenic Cc1cc(N(C)Cc2nc3cnccc3[nH]2)c([N+](=O)[O-])cc1F 587136956 MFVDJMJVLJDCRR-UHFFFAOYSA-N 315.308 2.950 5 1 DFBF Cc1ccc2c(ccc3nc(-c4cc([N+](=O)[O-])nn4C)[nH]c32)n1 587273464 AMXKFJCNOYNLLX-UHFFFAOYSA-N 308.301 2.728 5 1 DFBF CCOC(=O)/C(=C\N(C)C)c1[nH]c2cccc([N+](=O)[O-])c2c1C 587646538 FSINMKYDRGRBCV-LUAWRHEFSA-N 317.345 2.850 5 1 DFBF O=C(/C=C/c1nc2cncc([N+](=O)[O-])c2[nH]1)Nc1ccccc1 587243525 FREVQNOSEFPVRC-VOTSOKGWSA-N 309.285 2.518 5 1 DFBF Cc1cc(NCCN(C)C)n2nc3nc4ccccc4cc3c2n1 299862503 JTMJQHNZSLMVKW-UHFFFAOYSA-N 320.400 2.713 5 1 DFBF Cc1nc(N[C@@H]2CC[C@H](C)C2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821453 LGBAZLMOSICGHE-JOYOIKCWSA-N 316.365 2.788 5 1 DFBF O=C(O)c1cccc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 473082481 IIMHETZSEDNUPD-UHFFFAOYSA-N 310.269 2.541 5 1 DFBF O=C(O)c1ccccc1/C=C\c1nc2cncc([N+](=O)[O-])c2[nH]1 586878273 BXNJHMVYHYYWEA-WAYWQWQTSA-N 310.269 2.735 5 1 DFBF Cn1ncc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1Cl 587280058 HWYPUZLJERHJKX-UHFFFAOYSA-N 305.677 2.959 5 1 DFBF COc1cccc(-c2n[nH]c(Cc3cccc([N+](=O)[O-])c3)n2)c1 13589630 OKPVJHDDXKSXNT-UHFFFAOYSA-N 310.313 2.979 5 1 DFBF C[N+]1([O-])CCc2cc3c(c4c2[C@H]1[C@H](O)c1ccccc1-4)OCO3 14615643 PQQSHMZUVWGXSV-PZEDNMLSSA-N 311.337 2.671 5 1 DFBF endogenous,in-man CC(C)CNc1nc(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2s1 96910791 WJFAPQRTCSKFFY-UHFFFAOYSA-N 324.318 2.541 5 1 DFBF O=c1c(=O)n2ccc3cc4c(c5c6ccccc6c1c2c35)OCO4 238749219 HPEIJYSPEQNHJM-UHFFFAOYSA-N 315.284 2.724 5 1 DFBF COC(=O)c1cc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2cn1 587261164 XASYHBTWJKIJDQ-UHFFFAOYSA-N 312.285 2.628 5 1 DFBF CC(CO)(CO)NCc1ccc2c3c1ccc1cccc(c13)C2 5761715 KVWFUWWEHUZGKJ-UHFFFAOYSA-N 307.393 2.730 5 1 DFBF O=[N+]([O-])c1ccc2c(c1)C[C@H]([C@@H](c1ccccc1)n1cncn1)O2 26187107 CZLPBYKBKVIBNS-IAGOWNOFSA-N 322.324 2.779 5 1 DFBF O=[N+]([O-])c1cccc([C@@H]2NC(=S)N=C3CCCC(O)=C32)c1 617971636 BOBKFXCHXRMVNM-ZDUSSCGKSA-N 303.343 2.961 5 1 DFBF O=[N+]([O-])c1cncc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 587114989 CETBMGOJWOUGLD-UHFFFAOYSA-N 309.207 2.947 5 1 DFBF O=[N+]([O-])c1cc(F)cc(-c2nc3c(S)nc(S)nc3[nH]2)c1 587161740 QNYYKUXYQOPXDE-UHFFFAOYSA-N 323.334 2.645 5 1 DFBF Cc1c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)oc2c1[C@@H](O)CCC2 586904770 ZNHRZGVQOJDFOO-JTQLQIEISA-N 314.301 2.804 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc([N+](=O)[O-])c1O)O2 587391353 VYEJSBVJVJGVBC-AWEZNQCLSA-N 314.297 2.898 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)ncc2[nH]1 587267228 HHTCGCIRVDNGBS-SSDOTTSWSA-N 306.713 2.634 5 1 DFBF O=C1[C@@H]2CCCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 14967151 PLZDCNWTFFRNNK-AWEZNQCLSA-N 311.297 2.679 5 1 DFBF Cc1cc2[nH]c(-c3cnc([C@@H](C)O)s3)nc2cc1[N+](=O)[O-] 587021404 HSKJILNYBYLOJY-SSDOTTSWSA-N 304.331 2.956 5 1 DFBF Cc1oc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)cc1[N+](=O)[O-] 587269239 UFKMGLOHTZOBMQ-UHFFFAOYSA-N 305.221 2.877 5 1 DFBF C[N+](C)(C)CCN1CCN(c2ccccc2)c2ccccc2C1=O 33854387 WYXQEFDEXUAROC-UHFFFAOYSA-N 324.448 2.987 5 1 DFBF C[C@@H](F)[C@@H](N)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587125154 RLPYUYATHKEJJR-SPGJFGJESA-N 317.118 2.591 5 1 DFBF Cc1cnc(Cl)c2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc12 587272699 APAQRSOGIMZXKH-UHFFFAOYSA-N 320.740 2.657 5 1 DFBF Cc1ccnc2c1CCN[C@]2(C)C(=O)c1ccc([N+](=O)[O-])cc1 963065312 CYUVBEJJEPFUDJ-KRWDZBQOSA-N 311.341 2.542 5 1 DFBF NC(=O)N1CCc2sccc2[C@@H]1c1ccc([N+](=O)[O-])cc1F 962721562 ZZFWCHYOYSGNLL-ZDUSSCGKSA-N 321.333 2.822 5 1 DFBF O=c1oc2ccc(OCc3ccccc3)cc2c(O)c1[N+](=O)[O-] 169337546 QCAGYMGHBXHVBE-UHFFFAOYSA-N 313.265 2.986 5 1 DFBF Nc1ccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cn1 587253096 AEJPUXDUCDSPLK-UHFFFAOYSA-N 303.709 2.693 5 1 DFBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587273461 AHZCFEIACHGSNC-UHFFFAOYSA-N 313.651 2.803 5 1 DFBF CN(C)c1ncccc1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1 587195570 JGOUSTWEKRYBBP-UHFFFAOYSA-N 301.281 2.738 5 1 DFBF O=[N+]([O-])c1cccc2[nH]c(C3(Cl)CC3)c(-n3cncn3)c12 587644942 RLUHPKGQDNKAAD-UHFFFAOYSA-N 303.709 2.885 5 1 DFBF O=[N+]([O-])c1ccc(-c2ccc3c(O)nc(O)nc3n2)c(Cl)c1 587369300 ZKDUYUUEQCLJAS-UHFFFAOYSA-N 318.676 2.665 5 1 DFBF O=[N+]([O-])c1ccc2c(c1)C[C@@H]([C@H](c1ccccc1)n1cncn1)O2 26187121 CZLPBYKBKVIBNS-IRXDYDNUSA-N 322.324 2.779 5 1 DFBF Cc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1C 587263130 KCRXFRXKESPHJD-DRZSPHRISA-N 315.373 2.840 5 1 DFBF O=[N+]([O-])c1cc2nc(-c3cccc(CO)c3)[nH]c2cc1[N+](=O)[O-] 586895543 LWCPBIYXWVJVTE-UHFFFAOYSA-N 314.257 2.539 5 1 DFBF O=[N+]([O-])c1ccc(/N=c2\ssnc2Cl)c([N+](=O)[O-])c1 100475182 GZOWEEMEPIMVHO-NTMALXAHSA-N 318.723 2.907 5 1 DFBF COc1cc(OC)c2c(=O)oc3c(O)c(OC)cc(C)c3c2c1 14761031 BVOHQDQPAURBCA-UHFFFAOYSA-N 316.309 2.986 5 1 DFBF biogenic COc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1F 587274948 XLFJGUFPQNFXLY-MRVPVSSYSA-N 319.296 2.619 5 1 DFBF Cc1cc2[nH]c(C(C)(C)SCC(=O)O)nc2cc1[N+](=O)[O-] 586958460 DBWQMNXJBITADC-UHFFFAOYSA-N 309.347 2.832 5 1 DFBF NCCCc1cc2cc[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12 28955861 NCDJUOZXHZEKAW-UHFFFAOYSA-N 318.380 2.963 5 1 DFBF Cc1nc(N[C@@H]2CCC[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821459 BRRSYFCUYUISPX-JOYOIKCWSA-N 316.365 2.788 5 1 DFBF CC(=O)N1N=C(c2ccccc2)O[C@@H]1c1ccc([N+](=O)[O-])cc1 72179162 FAUNHAQXBMXMCX-MRXNPFEDSA-N 311.297 2.834 5 1 DFBF Cn1cc(Cl)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1 587280175 MMUZXBYFKUIBNW-UHFFFAOYSA-N 305.677 2.959 5 1 DFBF COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)[N+](C)([O-])CC2 13545528 KVSLFKRSBHIWMO-UCFFOFKASA-N 315.369 2.891 5 1 DFBF CC(C)[C@H](NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O 17193667 IEBSGLZZVOUHQG-SFHVURJKSA-N 324.380 2.825 5 1 DFBF O=c1c2ccccc2n(C[C@H](O)CN2CCCC2)c2ccccc12 40860788 HXGWKODKXUIEJW-OAHLLOKOSA-N 322.408 2.611 5 1 DFBF O=[N+]([O-])c1cc2nc(-c3cncc(F)c3)[nH]c2cc1[N+](=O)[O-] 587177332 WGHLXCWTIOJRCQ-UHFFFAOYSA-N 303.209 2.580 5 1 DFBF COc1cc(OC)c2c(=O)c3cccc(OC)c3oc2c1OC 14764331 CWFOWVYVOLGBNW-UHFFFAOYSA-N 316.309 2.981 5 1 DFBF biogenic CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(OC2CCCCC2)c1 71927968 AZKDFIVNHIXDSC-UHFFFAOYSA-N 314.363 2.678 5 1 DFBF Cc1c(F)ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 587268630 HKMRYSMUSWWNLQ-UHFFFAOYSA-N 301.281 2.926 5 1 DFBF COC(=O)c1c(C)n2c3ccccc3c(=O)n2c2c(F)cccc12 1911583234 MTWVUHZLMQKGIX-UHFFFAOYSA-N 324.311 2.940 5 1 DFBF COc1ccc(/C=C/c2ncc([N+](=O)[O-])n2C)c(OC)c1OC 40973039 ZDGPUJCWVYRJDC-SOFGYWHQSA-N 319.317 2.525 5 1 DFBF CCc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587264411 RIEWQPDXIMSGPA-WXHSDQCUSA-N 315.373 2.786 5 1 DFBF Cc1cnc2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c1 587148225 FPATWJXJBHLWJU-UHFFFAOYSA-N 302.265 2.893 5 1 DFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)cnc2[nH]1 587276624 NGWXSYWGDIKNLT-ZETCQYMHSA-N 306.713 2.520 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(F)c(F)c2[nH]1 587267389 JURNFXGSHOZDAR-ZETCQYMHSA-N 307.260 2.864 5 1 DFBF CC(=O)c1cc2c3c(c1)c1cc4c(cc1c(=O)n3CC2)OCO4 1619029 FESRXNOBFDOPTM-UHFFFAOYSA-N 307.305 2.642 5 1 DFBF COc1c(F)ccc(F)c1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587132350 CBHFDLJDOCEJOQ-UHFFFAOYSA-N 306.228 2.820 5 1 DFBF CN(C)[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 27625205 WSTHWQXSLJDJMX-LSDHHAIUSA-N 305.378 2.540 5 1 DFBF COc1cc2nnn3c4ncccc4c(N=O)c3c2cc1OC 200051781 NUOXXBSZMYVIBM-UHFFFAOYSA-N 309.285 2.846 5 1 DFBF O=C(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)OCc1ccccc1 587782882 RMXFZOMZQOUANQ-UHFFFAOYSA-N 311.297 2.757 5 1 DFBF Nc1ccnc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc12 587268691 BOBFNASKBDPFEN-UHFFFAOYSA-N 324.344 2.716 5 1 DFBF COc1cccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587268126 XFHLNFHDOIWPOU-VIFPVBQESA-N 301.306 2.594 5 1 DFBF Cc1nc(NCCC(C)C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821430 BPMDRUJNQTVNIW-UHFFFAOYSA-N 304.354 2.645 5 1 DFBF Cc1c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)oc2c1[C@H](O)CCC2 586904771 ZNHRZGVQOJDFOO-SNVBAGLBSA-N 314.301 2.804 5 1 DFBF CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1N(C)C 27625189 WSTHWQXSLJDJMX-CABCVRRESA-N 305.378 2.540 5 1 DFBF Cc1cnc(-n2ncc3ccc(Cl)cc3c2=O)c([N+](=O)[O-])c1 587652730 GTTUQUSSGMHYHI-UHFFFAOYSA-N 316.704 2.651 5 1 DFBF N[C@H](Cc1cscn1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587028269 OLLMDVKQRPHZRQ-MRVPVSSYSA-N 323.765 2.824 5 1 DFBF CC(C)Oc1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1 587267614 BRWBYANMSHBEOJ-UHFFFAOYSA-N 313.317 2.903 5 1 DFBF C[N+](C)(C)C[C@@H](O)COC(c1ccccc1)c1ccccc1 28218812 DQPXAOTVCLRWAV-GOSISDBHSA-N 300.422 2.860 5 1 DFBF CC(C)COc1ccc(-n2cc(C(=O)O)cn2)cc1[N+](=O)[O-] 28001111 YJFXOLWYQGPYOH-UHFFFAOYSA-N 305.290 2.514 5 1 DFBF O=c1c2ccccc2n(C[C@@H](O)CN2CCCC2)c2ccccc12 40860790 HXGWKODKXUIEJW-HNNXBMFYSA-N 322.408 2.611 5 1 DFBF O=[N+]([O-])c1cnc2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 587129922 OITNMLMFDZJBJQ-UHFFFAOYSA-N 321.243 2.572 5 1 DFBF CC[C@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 27200265 LMARIDXGCLHEQB-NSHDSACASA-N 306.240 2.713 5 1 DFBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587274738 KWQDGORLTGXGDM-UHFFFAOYSA-N 313.104 2.573 5 1 DFBF O=[N+]([O-])c1cnc(Nc2ccncc2)nc1NC1CCCC1 64531988 CFXBGQFWZLMHJQ-UHFFFAOYSA-N 300.322 2.878 5 1 DFBF COc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1C 587267620 NTCNZDZCEIFFEP-JTQLQIEISA-N 315.333 2.902 5 1 DFBF CC1(C)Oc2c(ccc3c(=O)c4c(O)cccc4oc23)C[C@@H]1O 13434291 WBOOENSBPJRUBR-ZDUSSCGKSA-N 312.321 2.726 5 1 DFBF biogenic Nc1cccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CC(=O)O)c1 587647012 CJVSGQIXNTTYNQ-UHFFFAOYSA-N 311.297 2.952 5 1 DFBF O=C(O)c1cccc([N+](=O)[O-])c1-c1cccc(F)c1C(=O)O 26502659 GOVSJWBEVGEHJJ-UHFFFAOYSA-N 305.217 2.797 5 1 DFBF CCO[P@](=O)(NC(C)C)Oc1cc(C)c([N+](=O)[O-])cn1 96927535 WBOXXALKBMFNKY-HXUWFJFHSA-N 303.255 2.820 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cncc(Cl)c2[nH]1 587267757 QBIQJKRMTHVFOP-SSDOTTSWSA-N 306.713 2.634 5 1 DFBF COC(=O)c1cccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)c1 169699655 LACDJFKKAOSBLM-UHFFFAOYSA-N 301.254 2.567 5 1 DFBF Cc1ccc2ncnc(NCCCCCCC(=O)NO)c2c1 206981226 CKAQQSINGFUQHV-UHFFFAOYSA-N 302.378 2.806 5 1 DFBF O=[N+]([O-])c1cc(/C=C/c2nc3cnnc(O)c3[nH]2)ccc1Cl 587047731 LPDLIYCYELVLMS-DUXPYHPUSA-N 317.692 2.791 5 1 DFBF CC(C)CCC[C@H](C)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 12496871 QBYXBONNCVATNQ-UONOGXRCSA-O 302.435 2.542 5 1 DFBF endogenous,in-man O=[N+]([O-])c1ccc(-c2[nH]nc(C(F)(F)F)c2[N+](=O)[O-])cc1 13589603 JFVXUNLAKNXKMB-UHFFFAOYSA-N 302.168 2.912 5 1 DFBF Cc1cccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 587261530 CCTXAHSRSYMSAJ-SRVKXCTJSA-N 301.346 2.532 5 1 DFBF O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1cccc(O)c1 299866912 WXJTUVIWWPBOOP-UHFFFAOYSA-N 311.297 2.871 5 1 DFBF Cc1ccc(C)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc12 587261898 DPFKJKDZVFQAHR-RWMBFGLXSA-N 315.373 2.840 5 1 DFBF Cc1cnc(Cl)c2[nH]c([C@H](C)n3cc([N+](=O)[O-])cn3)nc12 587276597 NCJBSERKQGQUSF-ZETCQYMHSA-N 306.713 2.634 5 1 DFBF O=[N+]([O-])c1cccc(CCc2nc3c(Cl)ncnc3[nH]2)c1 587270972 YOVRROUVNKFZQR-UHFFFAOYSA-N 303.709 2.700 5 1 DFBF COc1c(O)cc2c3c(cc4ccccc4c13)N(C)C(=O)C2=O 5996059 JGDZUWXHWYXMSD-UHFFFAOYSA-N 307.305 2.866 5 1 DFBF endogenous,in-man COC(=O)[C@H]1C(C)=NC(SC)=N[C@@H]1c1cccc([N+](=O)[O-])c1 169713987 JLODCDVMKKTLDW-NWDGAFQWSA-N 321.358 2.619 5 1 DFBF Cc1cc2[nH]c(-c3cnc(N(C)C)nc3C)nc2cc1[N+](=O)[O-] 587195582 XOLKENNLNYQKJX-UHFFFAOYSA-N 312.333 2.611 5 1 DFBF C[C@@](O)(Cn1cnc([N+](=O)[O-])n1)c1ccc(-c2ccccc2)cc1 299862828 KBKIHBLYJWMPHY-QGZVFWFLSA-N 324.340 2.761 5 1 DFBF CN1C(=O)[C@]2(Nc3ccccc3S2)c2cc([N+](=O)[O-])ccc21 49793955 MLHQYPGVKAIYKR-HNNXBMFYSA-N 313.338 2.942 5 1 DFBF Cc1ccc2c(ccc3nc(Cn4c([N+](=O)[O-])cnc4C)[nH]c32)n1 587274566 QBWZSXPGXXCYOE-UHFFFAOYSA-N 322.328 2.881 5 1 DFBF NC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccc([N+](=O)[O-])cc1 64513166 RJQLXNPZBURUJK-UHFFFAOYSA-N 308.297 2.751 5 1 DFBF O=[N+]([O-])c1ccn(CCCc2nc3cccc(Cl)c3[nH]2)n1 587272763 BJEBEULBFXAARD-UHFFFAOYSA-N 305.725 2.954 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c(O)c1)O2 587390930 SLVKVNSEOCQBRH-HNNXBMFYSA-N 314.297 2.898 5 1 DFBF Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 40979723 CYZLAXKXAFIOAQ-UHFFFAOYSA-N 321.358 2.603 5 1 DFBF NCCCc1cc2cc[nH]c(=O)c2c2cc(-c3ccn[nH]3)ccc12 28955869 ZMVBSUNCHGFMNE-UHFFFAOYSA-N 318.380 2.963 5 1 DFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(F)cc(F)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263411 MNQOPEANEUBWBZ-JEZHCXPESA-N 323.299 2.502 5 1 DFBF CCN(CC)C[C@H](O)Cn1c2ccccc2c(=O)c2ccccc21 40914978 ZMADLDWMNJGXMZ-HNNXBMFYSA-N 324.424 2.857 5 1 DFBF COc1ccc2[nH]c3c(c4c(n5cccc35)C(=O)N(C)C4=O)c2c1 84729333 AKMRCERRXJPXPU-UHFFFAOYSA-N 319.320 2.808 5 1 DFBF COc1cccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 587270834 RJGWBZXSILPPOH-LBPRGKRZSA-N 312.329 2.722 5 1 DFBF O=C1O/C(=C/c2nc3cncc([N+](=O)[O-])c3[nH]2)c2ccccc21 586905891 FYICJCXRTZYMHL-LFYBBSHMSA-N 308.253 2.535 5 1 DFBF COC(=O)c1cccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc12 587268864 MJXBVBGLKQABLM-UHFFFAOYSA-N 301.258 2.826 5 1 DFBF C[C@H]1C[N+]2(CCN(C/C=C/c3ccccc3)CC2)C[C@@H](C)O1 28961867 OPQOKDIEPTVMLW-ULJNDFNZSA-N 301.454 2.639 5 1 DFBF Cc1nc2c([N+](=O)[O-])csc2c(=O)n1Cc1ccccc1 1857617832 XWAZLYBPZBOUCJ-UHFFFAOYSA-N 301.327 2.723 5 1 DFBF COc1cc(-c2nc3cc(C)cnc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260817 HAVULCVVWHWSBP-UHFFFAOYSA-N 314.301 2.859 5 1 DFBF CCCN(CCC)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 26249757 PZWIXGKIPPAKJG-UHFFFAOYSA-N 313.423 2.817 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1O)O2 587388671 FYMKJASJHANOAZ-HNNXBMFYSA-N 314.297 2.898 5 1 DFBF O=C(/C=C/c1nc2cc([N+](=O)[O-])cnc2[nH]1)Nc1ccccc1 587243514 FNPYOVNUIMSTJV-VOTSOKGWSA-N 309.285 2.518 5 1 DFBF C[C@H]1C[N+]2(CCN(CCCc3ccccc3)CC2)C[C@@H](C)O1 28961847 NIOUOTFEHJOUQM-HDICACEKSA-N 303.470 2.559 5 1 DFBF COc1cncc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587159723 VJTBHSSFMLWYKV-UHFFFAOYSA-N 318.264 2.593 5 1 DFBF C[N+](C)(C)C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651097 WRDVERFTHAFAES-GOSISDBHSA-N 310.417 2.994 5 1 DFBF COC(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 587244227 YNSUIEUUDYRHHX-UHFFFAOYSA-N 313.273 2.711 5 1 DFBF COc1cc(-c2nc3c(C)nccc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260965 NACIBKDDZKYZGX-UHFFFAOYSA-N 314.301 2.859 5 1 DFBF C[C@@]1(COc2ccc(Cl)cc2)Cn2cc([N+](=O)[O-])nc2O1 59699466 KWYWUAAPBSPLMX-ZDUSSCGKSA-N 309.709 2.675 5 1 DFBF COc1ccc(-n2c(C)nc3c([N+](=O)[O-])csc3c2=O)cc1 1857619175 MEEYLLKVRKQHBA-UHFFFAOYSA-N 317.326 2.672 5 1 DFBF CC1=CC[C@@H]2[C@@H](O[C@@H](c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)O)[C@@H]1O 1772607214 VGMDTBYHXQIHGU-WRQOLXDDSA-N 319.357 2.503 5 1 DFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)cnc2[nH]1 587276623 NGWXSYWGDIKNLT-SSDOTTSWSA-N 306.713 2.520 5 1 DFBF Cc1oc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)cc1[N+](=O)[O-] 587268833 LWENYYKZPULOOR-GFCCVEGCSA-N 301.262 2.763 5 1 DFBF Cc1cc(C(=O)NCCN(C)C)c2nc3ccccc3cc2c1 5808488 IYOTYXTVTCKUCH-UHFFFAOYSA-N 307.397 2.988 5 1 DFBF C[C@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccccc1Cl 96929057 GZWCBWIDMFWBOX-FGEFZZPRSA-N 307.737 2.996 5 1 DFBF O=C(O)c1ccccc1/C=C/c1nc2cc([N+](=O)[O-])cnc2[nH]1 586878144 AJNLUXQQVJJNMP-AATRIKPKSA-N 310.269 2.735 5 1 DFBF Cn1nc(C(F)(F)F)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587116744 COLYKQYVSHTCRL-UHFFFAOYSA-N 311.223 2.890 5 1 DFBF O=[N+]([O-])C(Cl)(Cl)/C=C(\Cl)C(Cl)(Cl)[N+](=O)[O-] 18169992 LETWWAASNMTWLI-UPHRSURJSA-N 318.327 2.925 5 1 DFBF O=C1CCC[C@@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 586885740 NSRCSEHUAWJXEV-MRVPVSSYSA-N 318.289 2.996 5 1 DFBF O=c1[nH]c2ccccc2c(=O)n2cc3nc4ccccc4c-3cc12 100688234 GHDSSRJCUOXJSF-UHFFFAOYSA-N 313.316 2.794 5 1 DFBF O=C(NC(=O)c1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1 1857571873 IAAHDZZKKPNURX-UHFFFAOYSA-N 320.688 2.524 5 1 DFBF Cc1nc(N[C@H]2CCC[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821457 BRRSYFCUYUISPX-CABZTGNLSA-N 316.365 2.788 5 1 DFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(F)cc(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263414 MNQOPEANEUBWBZ-SZEHBUNVSA-N 323.299 2.502 5 1 DFBF C/C(=C/Cc1c(O)ccc2oc3cccc(O)c3c(=O)c12)CO 146286270 XMSYJERBDQKBHO-YHYXMXQVSA-N 312.321 2.839 5 1 DFBF CCOC(=O)c1cccc2nc3cc(N)c(OCC)cc3nc12 103223431 AHENBEZRGWJKIX-UHFFFAOYSA-N 311.341 2.941 5 1 DFBF O=[N+]([O-])c1c(Br)ccc2nc(C3=COCC3)[nH]c12 586912571 HQHXUECVUGMVKN-UHFFFAOYSA-N 310.107 2.995 5 1 DFBF O=C1c2ccc([N+](=O)[O-])cc2[C@]2(c3ccccc3)SCCN12 6582299 LHQJLLPZMOMOLL-INIZCTEOSA-N 312.350 2.999 5 1 DFBF C[C@@H]1CC[C@H]2CN/C(=C\[N+](=O)[O-])N(Cc3ccc(Cl)nc3)[C@@H]21 35079186 KBVJIUIXNDGSBY-LUPMPINSSA-N 322.796 2.631 5 1 DFBF COc1cccc2oc3cc4c(c(OC)c3c(=O)c12)OCO4 14764184 MZPXLNLWZFFCBX-UHFFFAOYSA-N 300.266 2.692 5 1 DFBF biogenic O=[N+]([O-])c1ccc(Cc2nc3cccc(O)c3[nH]2)c([N+](=O)[O-])c1 587264507 MZSWOMPVZZDIGX-UHFFFAOYSA-N 314.257 2.676 5 1 DFBF COc1cccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1O 587785729 GAYYTJNDGIRSBY-UHFFFAOYSA-N 303.249 2.991 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(Cc3ccc([N+](=O)[O-])cc3C1)O2 587390328 POYLARSFPUMUQN-SFHVURJKSA-N 324.336 2.988 5 1 DFBF Nc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cn1 587268629 ABRHMCMVUIPJBX-UHFFFAOYSA-N 324.344 2.716 5 1 DFBF COc1ncc(F)cc1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1 587176108 NJBYWKXETLZLMI-UHFFFAOYSA-N 306.228 2.820 5 1 DFBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)n1nnnc1-c1ccccc1 1857562940 IKSZVGPKSLKKJF-DHZHZOJOSA-N 321.296 2.602 5 1 DFBF CC(=O)N[C@H](CC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 72113686 CZBJBUITSWZIQD-CYBMUJFWSA-N 302.286 2.638 5 1 DFBF CCCN[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21 73140461 OSMKOXYALPBEOJ-GJZGRUSLSA-N 307.394 2.838 5 1 DFBF Nc1ccnc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc12 587139439 KDOPIHIUOGLJIE-UHFFFAOYSA-N 307.672 2.908 5 1 DFBF Cc1cc2c(cc(O)c3c(=O)c4ccccc4n(C)c32)oc1=O 238771293 BGPUDMVLRZWAFL-UHFFFAOYSA-N 307.305 2.812 5 1 DFBF COC(=O)c1ccnc2[nH]c(-c3cccc([N+](=O)[O-])c3C)nc12 587260686 AFXWIIJMVLGKDM-UHFFFAOYSA-N 312.285 2.628 5 1 DFBF COC(=O)Cc1cccc2c(=O)c3ccc4c(c3oc12)C[C@H](C)O4 27554394 KGOAOPBTTKJUNJ-JTQLQIEISA-N 324.332 2.985 5 1 DFBF C[C@@H](F)[C@H](N)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587125156 RLPYUYATHKEJJR-VHWMUFPASA-N 317.118 2.591 5 1 DFBF COc1cc(OC)c2c(=O)c3cc(C(=O)O)ccc3oc2c1 169322632 BUBHAXVBDBBTJF-UHFFFAOYSA-N 300.266 2.662 5 1 DFBF COc1cc2c(=O)c3c(O)cccc3oc2c(OC)c1OC 14764568 GZCVINDQFBCNTQ-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic COc1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c(F)c1 587150040 YLNFBUIXODOPNR-UHFFFAOYSA-N 302.265 2.605 5 1 DFBF CCOC(=O)c1c(-c2cncn2C)[nH]c2cc([N+](=O)[O-])ccc12 587647076 DUTGZKGJKZWSTC-UHFFFAOYSA-N 314.301 2.653 5 1 DFBF O=C(c1cc([N+](=O)[O-])c[nH]1)n1nc2cc1Oc1ccc(F)cc1-2 587874994 LERNPKSHVCPHER-UHFFFAOYSA-N 314.232 2.720 5 1 DFBF CC(=O)Oc1c(C)cccc1C(=O)Nc1ncc([N+](=O)[O-])s1 29124341 MPONXFAKJYAZSY-UHFFFAOYSA-N 321.314 2.537 5 1 DFBF N[C@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H]1c1ccccc1F 587153785 CXLQCTJZSQLGAL-BDJLRTHQSA-N 312.304 2.952 5 1 DFBF O=C(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1 28871045 YBKJMGFJIDWDDX-UHFFFAOYSA-N 320.213 2.699 5 1 DFBF O=[N+]([O-])c1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1F 586970300 WJHAVZWYJAQSDL-UHFFFAOYSA-N 320.305 2.536 5 1 DFBF COc1c2c(c(OC)c3c(=O)c4ccccc4oc13)OCO2 217566693 ITGKGKVNRUDSLG-UHFFFAOYSA-N 300.266 2.692 5 1 DFBF CCCCCCNC(=O)CCc1cc2c(cc1[N+](=O)[O-])OCO2 96935509 MLYMRKNBRURPLK-UHFFFAOYSA-N 322.361 2.953 5 1 DFBF C[N+]1([O-])CCc2cc3c(c4c2[C@@H]1[C@H](O)c1ccccc1-4)OCO3 14615645 PQQSHMZUVWGXSV-QNZPCDNOSA-N 311.337 2.671 5 1 DFBF endogenous,in-man CNc1c2c(c3nc4ccccc4c4c[nH]c1c34)=NCCC2=O 136603514 CPYAQISZRRTKDB-UHFFFAOYSA-N 302.337 2.836 5 1 DFBF Cc1cc(Cl)cc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c12 587273366 HSOBMPSNRHKCBE-UHFFFAOYSA-N 305.725 2.986 5 1 DFBF C[C@@H]1C[N+]2(CCN(C/C=C/c3ccccc3)CC2)C[C@@H](C)O1 28961865 OPQOKDIEPTVMLW-OKMWKSJFSA-N 301.454 2.639 5 1 DFBF CCOC(=O)[C@@H](C[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 299824194 BEOUNFQWFPIINM-JTQLQIEISA-N 307.224 2.509 5 1 DFBF O=[N+]([O-])c1cncc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 587087546 DKSWQWHEXCKHOM-SSDOTTSWSA-N 309.276 2.616 5 1 DFBF CC1(C)Oc2cccc([N+](=O)[O-])c2[C@@H](N2CCCCC2)[C@@H]1O 29347715 KROHYZJJYLPALH-CABCVRRESA-N 306.362 2.654 5 1 DFBF O=[N+]([O-])c1cccc(-c2nnnn2-c2nc3ccccc3s2)c1 1857601165 YLQQYMMNJIGGEA-UHFFFAOYSA-N 324.325 2.847 5 1 DFBF O=C1c2ccccc2[C@]2(c3cccc([N+](=O)[O-])c3)SCCN12 6583040 KIKNGMWNLLPEJJ-INIZCTEOSA-N 312.350 2.999 5 1 DFBF COc1cc(OC)c2oc3ccc(C(=O)O)cc3c(=O)c2c1 139015044 QPUYMBAHUOWFHS-UHFFFAOYSA-N 300.266 2.662 5 1 DFBF COc1cnc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1Cl 587064610 FESUPPBYHRKBAW-UHFFFAOYSA-N 305.681 2.590 5 1 DFBF Cc1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n1 587265981 YSORHJMFHVIQSJ-UHFFFAOYSA-N 313.273 2.674 5 1 DFBF Cc1nc([N+](=O)[O-])c([N+](=O)[O-])n1CC(=O)c1ccc(Cl)cc1 36377290 YLGONXYRZHVFTB-UHFFFAOYSA-N 324.680 2.544 5 1 DFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(F)c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263127 KAYNZKAXYLNNHV-HRDYMLBCSA-N 323.299 2.502 5 1 DFBF COc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1F 587274949 XLFJGUFPQNFXLY-QMMMGPOBSA-N 319.296 2.619 5 1 DFBF COc1ccc2oc3c(OC)c(O)ccc3c(=O)c2c1OC 14764196 BKSUQMQAIGVECD-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic,in-vitro NCCc1cc2cc[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12 28955860 KENNHLCFUAOXCB-UHFFFAOYSA-N 304.353 2.573 5 1 DFBF Cn1ncc([N+](=O)[O-])c1C(=O)c1coc2ccc(Cl)cc12 587277796 CITXJNQBRWJNLU-UHFFFAOYSA-N 305.677 2.959 5 1 DFBF CCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1 617958739 FTFUXELLTZMLGA-NPRUJURCSA-N 321.358 2.791 5 1 DFBF CCCc1c(O)ccc2c1O[C@@H](c1nc[nH]c1[N+](=O)[O-])CC2=O 587470791 LXIHSAVYFHCGJM-GFCCVEGCSA-N 317.301 2.683 5 1 DFBF Cc1[nH]nc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)c1[N+](=O)[O-] 13101938 GORJGTYUOIKACE-DTORHVGOSA-N 312.395 2.508 5 1 DFBF CC(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC(C)=O)ccc12 13484728 AARLEFVVBVBQSH-UHFFFAOYSA-N 312.277 2.797 5 1 DFBF biogenic O=c1c2c([N+](=O)[O-])cccc2nc(O)n1-c1ccc(Cl)cc1 1662921 FGTVCNWZCQXRPV-UHFFFAOYSA-N 317.688 2.653 5 1 DFBF O=c1[nH]ccc2cc(CO)c3ccc(Br)cc3c12 28955827 PXUXIFXXTBTUKX-UHFFFAOYSA-N 304.143 2.936 5 1 DFBF Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccco2)o1 95601578 MZGNDKLVDYRPRO-UHFFFAOYSA-N 321.318 2.535 5 1 DFBF COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)[N@+](C)([O-])CC2 253928483 KVSLFKRSBHIWMO-QFBILLFUSA-N 315.369 2.891 5 3 DFBF Nc1nccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 587139354 IEGSVNCWFSNVND-UHFFFAOYSA-N 307.672 2.908 5 1 DFBF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587093739 GKQCIXGPUFFSQR-LURJTMIESA-N 316.239 2.601 5 1 DFBF Nc1ncccc1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587254799 PAYPCSNACFUZIC-UHFFFAOYSA-N 303.709 2.693 5 1 DFBF CCOC(=O)c1c(CN2CCCC2)[nH]c2cc([N+](=O)[O-])ccc12 587649385 UDGQCSWXHZSDHN-UHFFFAOYSA-N 317.345 2.849 5 1 DFBF O=C(c1cccc([N+](=O)[O-])c1)c1c(O)oc2ccccc2c1=O 1720844 FYSYPWRPGWJXNS-UHFFFAOYSA-N 311.249 2.638 5 1 DFBF C[N+]1([O-])CCc2cc3c(c4c2[C@@H]1[C@@H](O)c1ccccc1-4)OCO3 14615646 PQQSHMZUVWGXSV-FQZXCLDYSA-N 311.337 2.671 5 1 DFBF endogenous,in-man CCCCNc1ccc(C(=O)OCCN(C)C)cc1[N+](=O)[O-] 73164570 XAXMKMICPYHVNA-UHFFFAOYSA-N 309.366 2.525 5 1 DFBF C[N+]1(COC(=O)[C@@H](c2ccccc2)C2CCCC2)CCOCC1 27527101 WUTQZKBZCKIAEO-SFHVURJKSA-N 318.437 2.938 5 1 DFBF CC1(C)Oc2cc([N+](=O)[O-])ccc2[C@@H](N2CCCCC2)[C@@H]1O 29344459 JDRQLIAOIHVYOA-CABCVRRESA-N 306.362 2.654 5 1 DFBF O=[N+]([O-])c1cncc2nc(-c3ncccc3C(F)(F)F)[nH]c12 587109516 WXIYUMAVXDLLJG-UHFFFAOYSA-N 309.207 2.947 5 1 DFBF O=C(Cc1nc2cccc([N+](=O)[O-])c2[nH]1)OCc1ccccc1 587782935 SOCLDYQVAWAHEZ-UHFFFAOYSA-N 311.297 2.757 5 1 DFBF Cc1ccc2cc3ccccc3nc2c1C(=O)NCCN(C)C 5161067 FULSJXJQUJKXTJ-UHFFFAOYSA-N 307.397 2.988 5 1 DFBF C[C@H](Sc1ncccn1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586963985 UBUDAPCQTLJJMT-ZETCQYMHSA-N 302.319 2.509 5 1 DFBF O=[N+]([O-])c1cncc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587085070 XZYSECBJEUMXPE-UHFFFAOYSA-N 315.720 2.994 5 1 DFBF COc1cc(-c2nc3ccc(O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261090 SMQZZRUBJQKQTF-UHFFFAOYSA-N 315.285 2.861 5 1 DFBF CC(C)(CO)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 64573194 WRGCIDKKUQNGGQ-UHFFFAOYSA-N 315.348 2.646 5 1 DFBF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1[N+](=O)[O-] 13832918 YQGNPBVVPMSYTG-UHFFFAOYSA-N 302.286 2.557 5 1 DFBF C[C@@]12N=NN(c3ccc([N+](=O)[O-])cc3)[C@]1(O)c1ccccc1C2=O 17220022 HWKUFLVWLDCUGM-HOTGVXAUSA-N 324.296 2.582 5 1 DFBF NC(=O)/C=C\c1c2ccccc2c(/C=C\C(N)=O)c2ccccc12 209424376 SBIFLBYCFKVJIF-HWAYABPNSA-N 316.360 2.990 5 1 DFBF Cc1cc2[nH]c(CSC(C)(C)C(=O)O)nc2cc1[N+](=O)[O-] 586958330 BITLCSLQICXGGM-UHFFFAOYSA-N 309.347 2.876 5 1 DFBF CC(C)OC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl 2027758 CLEZKFSFOIPVKH-MRVPVSSYSA-N 315.709 2.745 5 1 DFBF CNC(=O)[C@H]1C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587234521 GPJXYODODYZOEM-NEPJUHHUSA-N 317.352 2.509 5 1 DFBF CCOC(=O)c1cc2c([N+](=O)[O-])c(NC(C)=O)ccc2s1 6004773 DJWVCDGXXXDBMO-UHFFFAOYSA-N 308.315 2.945 5 1 DFBF Cc1cc2[nH]c(-c3cc(N)cc(C(=O)O)c3)nc2cc1[N+](=O)[O-] 587251404 GEYOCKJJWGCREY-UHFFFAOYSA-N 312.285 2.727 5 1 DFBF CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(C)c([N+](=O)[O-])c1 621474191 SKWHLRXOZAPTEP-KLDSGFLGSA-N 321.358 2.709 5 1 DFBF O=C(O)c1ccc(-c2cn(-c3ccc([N+](=O)[O-])cc3)nn2)cc1 473085539 XQPPWPRYWXNXIK-UHFFFAOYSA-N 310.269 2.541 5 1 DFBF Nc1ncc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc1[N+](=O)[O-] 587268298 PPJGQTJKAUNUAU-UHFFFAOYSA-N 309.329 2.994 5 1 DFBF C[N+]12CCCC[C@@H]1[C@@H](CN1C(=O)c3ccccc3C1=O)CCC2 16040045 UMWVQFMDELFMHV-ULUSDLDDSA-N 313.421 2.692 5 1 DFBF C[C@@H]1Cc2c(ccc3c(=O)c4cccc(CC(=O)O)c4oc23)O1 27554806 CGNNXSGBFTXFDV-SECBINFHSA-N 310.305 2.897 5 1 DFBF CN(C)CCCNc1ccc(N)c2[nH]c3ccccc3c(=O)c12 27560362 HEUSOCKOGYFULI-UHFFFAOYSA-N 310.401 2.627 5 1 DFBF CC(C)(O)[C@@H]1Cc2ccc3c(=O)c4c(O)cccc4oc3c2O1 13382731 AUACLMGLHMJOTC-ZDUSSCGKSA-N 312.321 2.726 5 1 DFBF biogenic CCN(CC)C[C@@H](O)Cn1c2ccccc2c(=O)c2ccccc21 40914979 ZMADLDWMNJGXMZ-OAHLLOKOSA-N 324.424 2.857 5 1 DFBF O=[N+]([O-])c1cccc(CCc2nc3cc4c(cc3[nH]2)OCO4)c1 587269969 KDSCTBYBTXGGIQ-UHFFFAOYSA-N 311.297 2.985 5 1 DFBF c1ccc2nc3cc4[nH]c(CC5OCCO5)nc4cc3nc2c1 586908091 LZERVFGMUGBFBI-UHFFFAOYSA-N 306.325 2.575 5 1 DFBF O=c1c2c(O)cccc2oc2c3c(cc(O)c12)O[C@@H]1OC=C[C@@H]31 14715664 RQQOEIJLJPCYJR-SKLCBMLGSA-N 310.261 2.703 5 1 DFBF endogenous,in-man COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)[N@@+](C)([O-])CC2 253928481 KVSLFKRSBHIWMO-LPHOPBHVSA-N 315.369 2.891 5 3 DFBF Cn1cc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)cn1 587646269 MGYRWTOFIUTHTE-UHFFFAOYSA-N 320.255 2.978 5 1 DFBF C[N@+]1([O-])CCc2cc3c(c4c2[C@H]1[C@@H](O)c1ccccc1-4)OCO3 257515094 PQQSHMZUVWGXSV-LNLFQRSKSA-N 311.337 2.671 5 1 DFBF endogenous,in-man CSC1=N[C@H](c2cccc([N+](=O)[O-])c2)C2=C(O)OCC2=N1 3806661 FEXKPNPFAQYTIZ-LLVKDONJSA-N 305.315 2.609 5 1 DFBF COc1c2c(cc3cc(O)c4c(=O)cc(C)oc4c13)CC[C@H]2O 2356449232 GCTAQDMTBWQRQO-LLVKDONJSA-N 312.321 2.948 5 1 DFBF COc1cc(OC)c2c(=O)c3c(O)c(OC)ccc3oc2c1 14764297 VWPBACQJNQNCAD-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic O=[N+]([O-])c1cc2nc(-c3ccc(CO)cc3)[nH]c2cc1[N+](=O)[O-] 586895497 JYZBDZLVCCYLNT-UHFFFAOYSA-N 314.257 2.539 5 1 DFBF C[C@@H](CO)CCc1ccc2c(=O)c3c(O)cccc3oc2c1O 15115249 OJJLNFKFRQMYMQ-SNVBAGLBSA-N 314.337 2.918 5 1 DFBF biogenic N[C@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(F)cc1F 587151696 UXIJXDKAPASBHI-ZDUSSCGKSA-N 322.246 2.937 5 1 DFBF COc1cc2oc3c(O)cccc3c(=O)c2c(OC)c1OC 14764108 BQFIZOHBSDOURY-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic O=[N+]([O-])c1ccc(Cc2nnn(Sc3ccccc3)n2)cc1 2478060 LFBOGYUHKPLWJZ-UHFFFAOYSA-N 313.342 2.728 5 1 DFBF O=C(O)Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 28765590 XHKHGQJEXVNURI-UHFFFAOYSA-N 318.241 2.922 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c(C(C[C@@H]3CCCN3)=C(F)F)nc2c1 587088619 QMRXLPLOLSUCPP-ZETCQYMHSA-N 309.276 2.616 5 1 DFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Cl)cc(F)c2[nH]1 587272758 ADVRJIAOPIAAEW-UHFFFAOYSA-N 309.688 2.817 5 1 DFBF Cc1ccnc2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc12 587148155 CRQOEFDOKHYGKM-UHFFFAOYSA-N 302.265 2.893 5 1 DFBF Cc1cc(F)c2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2c1 587274676 YNJWKJLAXJAEIS-UHFFFAOYSA-N 303.297 2.748 5 1 DFBF Cc1[nH]c2cc(Cl)c(F)cc2c1Cn1cnc([N+](=O)[O-])n1 587631204 IWCCRUXSBNISRU-UHFFFAOYSA-N 309.688 2.817 5 1 DFBF Cc1cc(F)c2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 587274163 NNJRYYPTLBYJRI-SECBINFHSA-N 303.297 2.919 5 1 DFBF CNC(=O)[C@@H]1C[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587234526 GPJXYODODYZOEM-NWDGAFQWSA-N 317.352 2.509 5 1 DFBF Cc1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2n1 587149124 PVPDDKXGDGGRKI-UHFFFAOYSA-N 302.265 2.893 5 1 DFBF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587162837 FDCGOYLOBUFIIC-AWEZNQCLSA-N 315.308 2.656 5 1 DFBF O=C1CCc2c1c1cccc(F)c1n1c(=O)c3ccccc3n21 1911580949 TVZCGISWZLZLRT-UHFFFAOYSA-N 306.296 2.973 5 1 DFBF C[N+]1(C)CCN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)CC1 95557471 WTXRNRHQLRPDQO-FQEVSTJZSA-N 323.460 2.932 5 1 DFBF N[C@@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccccc1Cl 587058328 FIXIJLLVRPQPJQ-JTQLQIEISA-N 317.736 2.762 5 1 DFBF Cc1cncc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587150101 ZFTNYWFVYNOFHN-UHFFFAOYSA-N 302.265 2.893 5 1 DFBF CCc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587264409 RIEWQPDXIMSGPA-KGYLQXTDSA-N 315.373 2.786 5 1 DFBF O=[N+]([O-])c1ccn(CCCc2nc3cnc4ccccc4c3[nH]2)n1 587274036 ROCXHBBYVQHZGE-UHFFFAOYSA-N 322.328 2.849 5 1 DFBF O=c1nc2ccc(Cl)cn2cc1Cc1ccc([N+](=O)[O-])cc1 169331047 GJUXUJWFAMEMTJ-UHFFFAOYSA-N 315.716 2.847 5 1 DFBF Nc1cc(C(=O)O)cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587249268 KKNJPTKNKQSYPE-UHFFFAOYSA-N 316.248 2.558 5 1 DFBF Cc1cc2[nH]c(-c3nnn(C)c3C(F)F)nc2cc1[N+](=O)[O-] 587128430 MEPCNIQULNRSET-UHFFFAOYSA-N 308.248 2.513 5 1 DFBF O=[N+]([O-])c1ccc(NCCCCN2CCCCC2)c2nonc12 36188005 XNVSEWRSQWHYRZ-UHFFFAOYSA-N 319.365 2.809 5 1 DFBF O=C1C[C@H](c2nc[nH]c2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587514348 XEIUVPJFTYGJPT-CYBMUJFWSA-N 313.313 2.903 5 1 DFBF Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCCCC1 49792918 OMXTYKYIODMHSA-UHFFFAOYSA-N 314.436 2.604 5 1 DFBF O=C1CCC[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 586885747 NSRCSEHUAWJXEV-QMMMGPOBSA-N 318.289 2.996 5 1 DFBF CC(C)(SCC(=O)O)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586959664 OSOWXTQQZJKSON-UHFFFAOYSA-N 313.310 2.663 5 1 DFBF Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1[N+](=O)[O-] 169296342 FUMNLCOHMGSPJE-YIKOMLBNSA-N 312.325 2.605 5 1 DFBF O=[N+]([O-])c1ccc(OCc2nc3ccc(CO)cc3[nH]2)cc1F 587149334 QSCAMGANRBOQIX-UHFFFAOYSA-N 317.276 2.682 5 1 DFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(F)c(F)cc2[nH]1 587274930 WYCOVMXNQNDUQG-ZETCQYMHSA-N 307.260 2.750 5 1 DFBF COC(=O)[C@H]1C(C)=NC(SC)=N[C@H]1c1cccc([N+](=O)[O-])c1 169713989 JLODCDVMKKTLDW-RYUDHWBXSA-N 321.358 2.619 5 1 DFBF C[C@@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1cccc(Cl)c1 96929046 VFCBMZPXUWGQNL-BRAIEQGRSA-N 307.737 2.996 5 1 DFBF COc1ccccc1CC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 587930275 NUVXNXJJQNXWGL-UHFFFAOYSA-N 311.297 2.905 5 1 DFBF O=[N+]([O-])c1ccc(SC(=S)N2CCCC2)c([N+](=O)[O-])c1 7984193 KKPMDHCVTFXQJJ-UHFFFAOYSA-N 313.360 2.976 5 1 DFBF Cc1cc2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc2c(C)n1 587267684 OZBFCHFWQPMBEZ-JTQLQIEISA-N 300.322 2.597 5 1 DFBF O=[N+]([O-])c1cccnc1NCc1nc2cc(F)c(F)c(F)c2[nH]1 587269603 VKFLFKICMVHKLX-UHFFFAOYSA-N 323.234 2.896 5 1 DFBF CCOC(=O)c1nc(O)c2cc3cc(Cl)ccc3nc2n1 26642308 MLLQIYXLZNGRJC-UHFFFAOYSA-N 303.705 2.714 5 1 DFBF N=c1nc2c(N)c3ccncc3c(Cc3ccccc3)c2c[nH]1 1857544936 IJLIUHZIWYEJOA-UHFFFAOYSA-N 301.353 2.764 5 1 DFBF Cc1cccc(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c1C 40980345 KLTDDXPPFBUKPE-UHFFFAOYSA-N 321.358 2.603 5 1 DFBF COC(=O)c1cc(C)cc2oc3cc(OC)cc(O)c3c(=O)c12 238786669 BYYHEIZPWMTNEH-UHFFFAOYSA-N 314.293 2.755 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c([C@@H](O)c3ccccc3Cl)nc2c1 587058423 GEJXRRGAJDQJNM-NSHDSACASA-N 304.693 2.601 5 1 DFBF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587162901 GGMAAUINZJZURI-CYBMUJFWSA-N 315.308 2.656 5 1 DFBF CCN1CCN=c2c3cc(OC)ccc3n3cnc4ccc1c2c43 5499548 RRXXWKSYGYUDSY-UHFFFAOYSA-N 318.380 2.828 5 1 DFBF Cc1nn(-c2c(C)[nH]c3c(C(=O)O)cccc23)c(C)c1[N+](=O)[O-] 587637976 JOLCBQCWACXJBM-UHFFFAOYSA-N 314.301 2.885 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cncc(Cl)c2[nH]1 587267758 QBIQJKRMTHVFOP-ZETCQYMHSA-N 306.713 2.634 5 1 DFBF O=[N+]([O-])c1ccc(-c2noc(CCOc3ccc(F)cc3)n2)o1 1857598314 RFWXVEACWKZTJW-UHFFFAOYSA-N 319.248 2.998 5 1 DFBF Cc1ccnc2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12 587265421 UCOCPKCZUMNKKS-UHFFFAOYSA-N 313.273 2.674 5 1 DFBF CN1c2ccccc2[C@H]2c3c(O)ccc(O)c3C=C([N+](=O)[O-])[C@@H]21 5582847 FBORASWGOQAZHS-IRXDYDNUSA-N 310.309 2.679 5 1 DFBF O=[N+]([O-])c1cc(Br)cc2nc(C3=COCC3)[nH]c12 586912563 HGWLYZFAVZDLHC-UHFFFAOYSA-N 310.107 2.995 5 1 DFBF O=c1c2cc(Cl)ccc2cnn1-c1ccccc1[N+](=O)[O-] 587652751 IAVQJPWXCYVRLP-UHFFFAOYSA-N 301.689 2.947 5 1 DFBF CC(C)=CCn1c2cc(=O)ccc-2nc2c(C(N)=O)cccc21 73280411 WGQHMFGTHSQVLB-UHFFFAOYSA-N 307.353 2.566 5 1 DFBF Cc1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2n1 587267874 HPCSREIIYRIYBI-UHFFFAOYSA-N 300.322 2.543 5 1 DFBF C[C@H](Sc1ncccn1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586963723 NVHACXCMDDVZGE-ZETCQYMHSA-N 302.319 2.509 5 1 DFBF CN1C(=O)[C@H]2Cc3ccccc3CN2c2ccc([N+](=O)[O-])cc21 84651833 UCVADEZOFJVURI-MRXNPFEDSA-N 309.325 2.503 5 1 DFBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(Cl)nc2[nH]1 587268626 HJGVPLQLOHOBIA-UHFFFAOYSA-N 304.697 2.527 5 1 DFBF Cc1nc(N[C@H]2CC[C@H](C)C2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821455 LGBAZLMOSICGHE-CABZTGNLSA-N 316.365 2.788 5 1 DFBF CC(=O)Oc1ccc2oc3c(OC(C)=O)cccc3c(=O)c2c1 15119041 WTEWPRZNCFRGLE-UHFFFAOYSA-N 312.277 2.797 5 1 DFBF biogenic Cc1nccc2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12 587266097 ZLHRSMFHHHEVQL-UHFFFAOYSA-N 313.273 2.674 5 1 DFBF C[C@@H](Sc1ncccn1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586963984 UBUDAPCQTLJJMT-SSDOTTSWSA-N 302.319 2.509 5 1 DFBF NC(=O)c1cc(-c2ccncc2)[nH]c1-c1cccc([N+](=O)[O-])c1 64512349 QTMSXNQGBZJNRQ-UHFFFAOYSA-N 308.297 2.751 5 1 DFBF O=[N+]([O-])c1cnc2[nH]c(-c3ncccc3C(F)(F)F)nc2c1 587108343 IVRZQMPRIOCYIC-UHFFFAOYSA-N 309.207 2.947 5 1 DFBF CCOC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1CCCC1 587648690 JNSMFJOBGUAKHH-UHFFFAOYSA-N 317.345 2.782 5 1 DFBF CC(=O)Nc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 28770446 ZRYXRMOGRQISJE-UHFFFAOYSA-N 311.293 2.532 5 1 DFBF Cc1[nH]nc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] 6621857 GORJGTYUOIKACE-IUCAKERBSA-N 312.395 2.508 5 1 DFBF CC1(C)C(=O)N(CCCCC[N+](C)(C)C)C(C)(C)N1Cl 71359421 YVAPFKQPAZNHNZ-UHFFFAOYSA-N 304.886 2.676 5 1 DFBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)F 587646576 VPVOLYMVAYYEGG-UHFFFAOYSA-N 312.228 2.701 5 1 DFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263322 LHNWPMBCZKQPPS-KXUCPTDWSA-N 321.764 2.877 5 1 DFBF O=[N+]([O-])c1cc2nc(-c3cc(CO)ccc3F)[nH]c2cc1F 587141123 XOHVJYFIFVEDRK-UHFFFAOYSA-N 305.240 2.909 5 1 DFBF C[C@@H]1CC(=O)[C@@H](C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)[C@@H]1C 103165829 NVBSKHNFGFVDQQ-OTPXZMOZSA-N 323.732 2.861 5 1 DFBF CC[C@@H](C)Oc1cc(NC(C)=O)c([N+](=O)[O-])cc1C(=O)OC 40956574 LQYRBYQAPRDQIE-MRVPVSSYSA-N 310.306 2.517 5 1 DFBF Cc1ccc2c(ccc3nc(-c4cnc(N)c([N+](=O)[O-])c4)[nH]c32)n1 587268072 LARNKVBFJHOXGF-UHFFFAOYSA-N 320.312 2.972 5 1 DFBF N[C@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccccc1Cl 587058330 FIXIJLLVRPQPJQ-SNVBAGLBSA-N 317.736 2.762 5 1 DFBF Cn1nc([N+](=O)[O-])cc1-c1nc2cccc(Br)c2[nH]1 587274786 MFDBPHBSEDWRRG-UHFFFAOYSA-N 322.122 2.634 5 1 DFBF COc1cc2oc3ccc(O)c(OC)c3c(=O)c2cc1OC 14764206 BROXNHWVEWPLHG-UHFFFAOYSA-N 302.282 2.678 5 1 DFBF biogenic COc1c(F)ccc(F)c1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587132976 MWDWHAIGONWCBF-UHFFFAOYSA-N 306.228 2.820 5 1 DFBF CNC(=O)[C@H]1C[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587236598 YEFLHAADCTZLDO-ZJUUUORDSA-N 317.352 2.509 5 1 DFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(F)cnc(Cl)c2[nH]1 587267782 QRQVMUGJWLQHFB-LURJTMIESA-N 324.703 2.773 5 1 DFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(F)cc(F)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263413 MNQOPEANEUBWBZ-QNSHHTMESA-N 323.299 2.502 5 1 DFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc([N+](=O)[O-])c1O)O2 587391354 VYEJSBVJVJGVBC-CQSZACIVSA-N 314.297 2.898 5 1 DFBF O=[N+]([O-])c1ccc2c(c1)[C@H](O)CN(CCc1ccccc1)CC2 1857759671 NJJIHOBVYYTMMJ-GOSISDBHSA-N 312.369 2.729 5 1 DFBF