smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1CC=C2[C@H]3C[C@H]4[C@]5(CC[N+]4([O-])C/C3=C\CO)c3ccccc3N1[C@@H]25 103582582 JSOOHERMGHRAQI-DVWODLOUSA-N 350.418 2.009 5 1 FEBF biogenic,in-vitro CNC(=O)CCCn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 653717066 KPRSTCYLJGKDEM-UHFFFAOYSA-N 368.393 2.286 5 1 FEBF Cc1ncc([N+](=O)[O-])n1C[C@H](O)CSC(=S)N1CCC[C@@H](C)C1 1772641524 PBDSGXQJJPUKNT-PWSUYJOCSA-N 358.489 2.211 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@H](NCc1ccccc1OC(F)(F)F)C2 1772580656 VFRWCPZYBJUDSL-SNVBAGLBSA-N 358.276 2.241 5 1 FEBF COC(=O)[C@H]1[C@@H](OC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]2CC[C@@H]1N2C 27760691 FFGDCGSTWMKRRN-UQOMUDLDSA-N 363.370 2.168 5 1 FEBF O=C(CO[N+](=O)[O-])N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 653727909 KIEJLBXPEQXSEW-MRXNPFEDSA-N 370.321 2.481 5 1 FEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587266447 XWWZZBTUQFFLGG-ZETCQYMHSA-N 368.275 2.180 5 1 FEBF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C(=O)O)c1ccc([N+](=O)[O-])cc1 963614242 WYVPNOYCVRDFGW-WLRWDXFRSA-N 372.377 2.474 5 1 FEBF CCCC[N+]1(C)[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]12 100380567 YBCNXCRZPWQOBR-SFYZFMCISA-N 360.474 2.233 5 3 FEBF in-vitro O=c1[nH]n(Cc2ccncc2)c(=O)c2c(O)c3ccc(Cl)cc3nc12 13553674 HXAUOPBEYSUYJM-UHFFFAOYSA-N 354.753 2.040 5 1 FEBF CC[C@@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(F)c1 28130766 QNUOTEFVFNJQJR-YGRLFVJLSA-N 367.381 2.089 5 1 FEBF COc1cc(O)c2c(=O)c3cccc(O)c3oc2c1CC[C@@H](O)C(C)(C)O 2356479623 XETIWBSPMJOXJJ-OAHLLOKOSA-N 374.389 2.430 5 1 FEBF CN(CCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 84653372 AYEZTNBQBVPPRB-UHFFFAOYSA-N 365.367 2.366 5 1 FEBF CCCCOC(=O)c1cc(=O)c(=O)c2oc3cc(N(C)C)ccc3[nH]c1=2 653795835 RLZBGHSCEBHUQT-UHFFFAOYSA-N 356.378 2.229 5 1 FEBF O=[N+]([O-])c1ccc(OCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1F 587148869 MAJZZYBUTZQLNY-UHFFFAOYSA-N 355.289 2.165 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261354 BLQJYTVKHDXZNW-FKTZTGRPSA-N 367.203 2.381 5 1 FEBF O=c1c2ccccc2nnn1Cc1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1 1857569660 ZAJSPLDRCKTCPW-UHFFFAOYSA-N 374.380 2.084 5 1 FEBF O=c1[nH]ccc2nc(NC[C@H]3CCS(=O)(=O)C3)c3ccc(F)cc3c12 64549780 YJQUADKQWWERLA-SNVBAGLBSA-N 361.398 2.062 5 1 FEBF COc1c(O)c2c(c3c(=O)c4cccc(O)c4n(C)c13)OC(C)(C)[C@H](O)C2 66077454 QAUFACGSJSABOB-GFCCVEGCSA-N 371.389 2.186 5 1 FEBF biogenic O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2ncccc2[N+](=O)[O-])N1 963235797 SBNSUPKTDNGRQZ-HOCLYGCPSA-N 350.334 2.226 5 1 FEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccnc(Cl)c3[nH]2)cc1 586920061 LBWPOAFSIRDYBZ-UHFFFAOYSA-N 352.759 2.493 5 1 FEBF C/C=C1/C[N+]2([O-])CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H](CO)[C@H]1C[C@@H]42 85835309 QGFVIZRGBDUGNE-ZYLNNAHESA-N 354.450 2.335 5 1 FEBF CCN(C)C(=O)c1cnc(NCCOC)nc1-c1ccc([N+](=O)[O-])cc1 82150297 UFGZTRVHJSEOQE-UHFFFAOYSA-N 359.386 2.202 5 1 FEBF CNS(=O)(=O)c1cc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)n(C)c1 586946699 CORNKPOOTJKSGU-UHFFFAOYSA-N 369.790 2.038 5 1 FEBF O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCN1CCNCC1 27860532 XRDZJDOJZXPFQE-UHFFFAOYSA-N 359.429 2.494 5 1 FEBF Nc1ccccc1NC(=O)CCCNCC(=O)Nc1cccc([N+](=O)[O-])c1 84670017 VFXSBMVVFXFSEH-UHFFFAOYSA-N 371.397 2.124 5 1 FEBF COC(=O)c1cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc([N+](=O)[O-])c1 962897852 CZXLXRLGOJUPLW-HOCLYGCPSA-N 374.324 2.209 5 1 FEBF CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc([N+](=O)[O-])cc2C1=O 13781505 RELKUIIVWKRWEL-UHFFFAOYSA-N 358.354 2.321 5 1 FEBF CCC(=O)Nc1ccc(OC[C@@H](O)[C@H](C)NC(C)(C)C)c([N+](=O)[O-])c1 28768320 SPSPTSFMQXMGEZ-SMDDNHRTSA-N 353.419 2.460 5 1 FEBF CC[C@](O)(CCO)[C@@H]1Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1 2356778256 PXKGYRVTIKTSSM-YWZLYKJASA-N 372.373 2.184 5 1 FEBF C=C/C1=C\Cc2ccccc2[C@@H](C[N+](=O)[O-])C(C(=O)OC)(C(=O)OC)C1 36384610 LQJWLPILMCPRCM-LRFDDAOPSA-N 359.378 2.438 5 1 FEBF O=C1COc2cc3[nH]c(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])nc3cc2N1 587265480 UVIMEJJSXVZPOR-UHFFFAOYSA-N 369.293 2.301 5 1 FEBF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587193646 CUTBNOVYERNEST-LLVKDONJSA-N 364.406 2.384 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccnc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263425 MOHMIETUCZKXHL-HRDYMLBCSA-N 367.203 2.381 5 1 FEBF C/C=C1/C[N+]2([O-])CCc3c([nH]c4ccccc34)[C@@](CO)(C(=O)OC)[C@H]1CC2 238780919 WXWXJDLCIXJYLO-BPCPDPOFSA-N 370.449 2.408 5 1 FEBF O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 653718487 IPWFHMCRGAMKAP-UHFFFAOYSA-N 369.786 2.165 5 1 FEBF O=c1c2ccc(O)cc2oc2cc(OCCCN3CCNCC3)ccc12 71329236 AZMDMDGSBZKDIT-UHFFFAOYSA-N 354.406 2.326 5 1 FEBF COC(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)c([N+](=O)[O-])c1 587555799 SGFPYRWMWZGEJL-UHFFFAOYSA-N 357.282 2.190 5 1 FEBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)[C@@H]1OC[C@@](C)(O)[C@@H]1O2 14682350 ZDHCSGNLOGAREA-IPMKNSEASA-N 356.330 2.244 5 1 FEBF biogenic O=C(NCCc1ccccc1)[C@@H]1CCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 1911582619 KMVJRALVGYMJQJ-SFHVURJKSA-N 367.405 2.445 5 1 FEBF CCOC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587263794 OMFMBZRMUMNQKP-KGYLQXTDSA-N 359.382 2.400 5 1 FEBF CN1CCN(c2nc3c(NCc4cccc([N+](=O)[O-])c4)cccn3n2)CC1 96169621 KFHQPLOVSBYCRN-UHFFFAOYSA-N 367.413 2.001 5 1 FEBF COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@@H]1OC=C[C@]41O 6019189 QRARGUIFAGCOOA-OALUTQOASA-N 354.314 2.413 5 1 FEBF biogenic COc1ccc(Cn2c3nc(=O)nc(O)c-3nc3ccccc32)cc1OC 261152752 PGEQOJATMCLOPB-UHFFFAOYSA-N 364.361 2.062 5 1 FEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(N)=O)cc2[nH]1 587118118 NWSYEWVYXDLSQM-UHFFFAOYSA-N 368.275 2.142 5 1 FEBF Cc1cc2cc3cc(C)c(NC(=O)C[C@@H](N)C(=O)O)cc3nc2cc1N 40565519 WQGLVWXODSOCHK-CQSZACIVSA-N 352.394 2.328 5 1 FEBF O=[N+]([O-])c1ccc(Cc2nc3c(S)nc(S)nc3[nH]2)c([N+](=O)[O-])c1 587264339 LWOVCBOVFLTQQO-UHFFFAOYSA-N 364.368 2.338 5 1 FEBF COc1cc(OCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1[N+](=O)[O-] 587262017 MEJVFAPCJVMGLT-UHFFFAOYSA-N 370.321 2.390 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(OCCN(C)C)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263684 NQMKUYLVLFWVEC-VHDGCEQUSA-N 374.441 2.164 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1nn(C)cc1[N+](=O)[O-])O2 587388481 CUBWIOMEHNVBKY-DUMMIQTOSA-N 371.397 2.155 5 1 FEBF COC(=O)[C@H]1[C@@H](OC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]2CC[C@H]1N2C 169334452 FFGDCGSTWMKRRN-REBRKWNGSA-N 363.370 2.168 5 1 FEBF Cc1ncc([N+](=O)[O-])n1C[C@H](O)CSC(=S)N1CCC[C@H](C)C1 1772641523 PBDSGXQJJPUKNT-JQWIXIFHSA-N 358.489 2.211 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(F)c([N+](=O)[O-])cc21 587384374 KZHACMSEMGGZHK-KRWDZBQOSA-N 357.297 2.437 5 1 FEBF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)N1 962911789 ZUNPYWYSHJWYSY-WFASDCNBSA-N 361.285 2.330 5 1 FEBF O=S(=O)(O)Oc1c(OS(=O)(=O)O)c2ccccc2c2ccccc12 31705622 WTIHMYOACRETPQ-UHFFFAOYSA-N 370.360 2.356 5 1 FEBF in-vitro Cc1ccc(N2CCN(CC(=O)Nc3ncc([N+](=O)[O-])s3)CC2)cc1 653895459 UOBJLLXQFULKQC-UHFFFAOYSA-N 361.427 2.120 5 1 FEBF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 586927864 YNIVAQHDGOBTRC-UHFFFAOYSA-N 374.378 2.085 5 1 FEBF O=[N+]([O-])c1ccc(OCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1F 587149302 QGRKOVFHOHOVKE-UHFFFAOYSA-N 367.314 2.436 5 1 FEBF COc1cc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc(OC)c1OC 299869714 VFVWBGPGUDWLHU-UHFFFAOYSA-N 372.333 2.417 5 1 FEBF Cc1cc2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc2cc1[N+](=O)[O-] 586946468 YMIZFDNFJIYKEV-UHFFFAOYSA-N 364.383 2.397 5 1 FEBF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ncccc2[N+](=O)[O-])N1 963235792 SBNSUPKTDNGRQZ-GDBMZVCRSA-N 350.334 2.226 5 1 FEBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@]1(C)c1ccc(C)cc1 1857603806 KRRJPUIOAUOMFS-QGZVFWFLSA-N 357.370 2.473 5 1 FEBF O=C(O)C=Cc1cccc(NS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1 2356868046 VABCCOQHQMOIMQ-UHFFFAOYSA-N 364.335 2.428 5 1 FEBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)S(=O)(=O)N=C2O 84631994 IIUNVQWCZSQAMD-UHFFFAOYSA-N 362.323 2.246 5 1 FEBF N=C(N)c1cccc(-c2cc(-c3cccc(C(=N)N)c3[N+](=O)[O-])on2)c1 28643544 PENIYGQNRSROHA-UHFFFAOYSA-N 350.338 2.485 5 1 FEBF COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCC[N+](C)(C)C)C2 14947223 IJYAXGWEXZSXQH-JLMWRMLUSA-N 373.517 2.317 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)ncc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265989 YQGZKUHLYJQXEL-IWSPIJDZSA-N 367.203 2.381 5 1 FEBF CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]21 100519318 YBCNXCRZPWQOBR-LAFMJHKZSA-N 360.474 2.233 5 1 FEBF in-man Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc(N)c1C(=O)OC(=N)O 473124802 PJGIGXQEPDUVEZ-UHFFFAOYSA-N 364.339 2.449 5 1 FEBF Nc1nc2c(C(=O)O)c3ccc([N+](=O)[O-])cc3c(=O)n2c2ccccc12 1653917 AOURIGIYGBHRPR-UHFFFAOYSA-N 350.290 2.190 5 1 FEBF COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)CN1C(=O)C(=O)c2ccccc21 96930097 SKQHQRVVACYUIZ-JLHYYAGUSA-N 366.329 2.381 5 1 FEBF COc1cc(OCc2nc3ccc(-n4cnnn4)cc3[nH]2)ccc1[N+](=O)[O-] 587262252 PCCDVLBPOSGVQC-UHFFFAOYSA-N 367.325 2.034 5 1 FEBF CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12 87612817 ZOYUMSGTEIJUPZ-UHFFFAOYSA-N 370.477 2.195 5 1 FEBF CS(=O)(=O)c1cc(-c2nc3c(N)ccnc3[nH]2)cc([N+](=O)[O-])c1Cl 586925286 GLOBHCQHKQJUOV-UHFFFAOYSA-N 367.774 2.172 5 1 FEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587274655 RNNZHVQCVVVUCA-ZETCQYMHSA-N 361.274 2.288 5 1 FEBF CNC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 1894340 IVVVNPXXLPLCJM-ZHACJKMWSA-N 362.363 2.061 5 1 FEBF Cc1ccc(NC(=O)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 653725403 YKVBGMCULHULJZ-UHFFFAOYSA-N 363.395 2.129 5 1 FEBF Cc1cc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c(C)n1 587273778 VETBLALPTGNYFE-AWEZNQCLSA-N 368.397 2.382 5 1 FEBF Cc1nn([C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] 587653389 UWKSSZABBRSARK-VIFPVBQESA-N 361.745 2.364 5 1 FEBF CN(C)CCn1c(=O)nc2c3cc(O)ccc3[nH]c3c([N+](=O)[O-])ccc1c32 33917316 QAIZGMKUKSFLCT-UHFFFAOYSA-N 367.365 2.206 5 1 FEBF CCCCS(=O)(=O)N[C@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)C(C)C 586933453 RZZJVTMHOQAAIF-LBPRGKRZSA-N 355.420 2.283 5 1 FEBF COC(=O)c1ccnc2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12 587264322 LOLYMNKHFBWZPK-UHFFFAOYSA-N 357.282 2.152 5 1 FEBF N=C(N)SCC(=O)c1ccc(I)c([N+](=O)[O-])c1 68584079 CFTRIGKWULMFRX-UHFFFAOYSA-N 365.152 2.009 5 1 FEBF biogenic COCCNc1ccc(-c2nc3cc(C(=O)OC)ncc3[nH]2)cc1[N+](=O)[O-] 587264700 HYOSOGXPUYAAHD-UHFFFAOYSA-N 371.353 2.378 5 1 FEBF COC(=O)c1cc2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc2cc1OC 587268070 WIBOMHKAQVQQBU-VIFPVBQESA-N 359.342 2.381 5 1 FEBF CCCC[C@H](O)[C@@H](C)Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-] 27194492 KXDMBILGHSAEAI-KOLCDFICSA-N 355.395 2.492 5 1 FEBF COC[C@@](C)(O)[C@@H]1Cc2c(cc(OC)c3c(=O)c4cccc(O)c4oc23)O1 14682392 QAPTUHVMENLAPV-MGPUTAFESA-N 372.373 2.361 5 1 FEBF biogenic O=C(C1CCCCC1)N1CC(=O)N2CCc3ccc([N+](=O)[O-])cc3[C@H]2C1 28823652 XUBJLWPYSUCWCD-QGZVFWFLSA-N 357.410 2.443 5 1 FEBF Cc1nn([C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] 587653388 UWKSSZABBRSARK-SECBINFHSA-N 361.745 2.364 5 1 FEBF O=C1c2c(c3c4ccccc4[nH]c3c3ccccc23)C(=O)N1C(CO)CO 13679831 UWASAWUTCWSBNZ-UHFFFAOYSA-N 360.369 2.424 5 1 FEBF CCN(CC)CCn1c2cc(OC)c(N)cc2c(=O)c2c(O)cc(O)cc21 26264249 BVWCQFDGPHDOOS-UHFFFAOYSA-N 371.437 2.499 5 1 FEBF CCCC[N+]1(C)[C@@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]12 100026735 YBCNXCRZPWQOBR-UPSFKLHPSA-N 360.474 2.233 5 1 FEBF COC(=O)[C@@H]1C[C@]23C=CC[N+]4([O-])C[C@H]([C@@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@H]34 238765748 CEJQKJBSKCWBSS-JFUXWPQESA-N 352.434 2.430 5 1 FEBF CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cccc(O)c2)CC1 95590772 YJZGLINFUJXTHC-UHFFFAOYSA-N 356.382 2.305 5 1 FEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)nn2)c1 587269721 MZVFNSKBEAZAIQ-UHFFFAOYSA-N 352.270 2.022 5 1 FEBF Cc1ncc([N+](=O)[O-])n1C[C@H](O)CSC(=S)N1CCC(C)CC1 1772604465 CBWSATZVFDSDGM-LBPRGKRZSA-N 358.489 2.211 5 1 FEBF CCCC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 13118370 YBCNXCRZPWQOBR-MWGADRMYSA-N 360.474 2.233 5 1 FEBF CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)cc1[N+](=O)[O-] 195438701 KJIHZFWTKWJZAM-YXAMBPQSSA-N 368.345 2.222 5 1 FEBF C/C=C1\C[N+]2([O-])CC[C@]34C(=O)c5ccccc5N3[C@@H](C(=O)OC)[C@@H]1C[C@H]42 85506206 IARXKEXPNHDQQC-QIOJTCAHSA-N 354.406 2.036 5 1 FEBF biogenic,in-vitro CCOC(=O)c1cc2n(n1)[C@@H](C(=O)O)Nc1cc(Cl)c([N+](=O)[O-])cc1-2 27329700 YAMDMBCFVXPSBZ-LBPRGKRZSA-N 366.717 2.297 5 1 FEBF O=C1CC=C2[C@H]3C[C@H]4[C@@]5(CC[N+]4([O-])C/C3=C\CO)c3ccccc3N1[C@@H]25 95912493 JSOOHERMGHRAQI-YSZNPQODSA-N 350.418 2.009 5 1 FEBF biogenic,in-vitro COC(=O)[C@@H]1[C@@H](OC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]2CC[C@@H]1N2C 27842343 IVFPUHUDFWIBQR-QPSCCSFWSA-N 363.370 2.168 5 1 FEBF NCCOCCOCCc1nc2c3cccnc3c3ncccc3c2[nH]1 587246056 JSAZRUUSJWZDNI-UHFFFAOYSA-N 351.410 2.194 5 1 FEBF O=c1c2cc(F)ccc2nc2c3ccccc3c(N3CCOCC3)nn12 1772572408 XGYIAEXKCZEODW-UHFFFAOYSA-N 350.353 2.372 5 1 FEBF C[C@]1(CN2CCc3nc(C4CC4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857608755 CFCZXNKHKTWZKW-SFHVURJKSA-N 355.398 2.273 5 1 FEBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@H](O)[C@H](O)C(C)(C)O2 13459133 VMOMUKQKOCLINI-OALUTQOASA-N 355.390 2.266 5 1 FEBF biogenic C/C=C1/C[N@+]2(C)CCc3c([nH]c4ccccc34)[C@@](CO)(C(=O)O)[C@H]1CC2 473171746 VLRURTRVDYSXIL-QLWZMDSTSA-O 355.458 2.452 5 1 FEBF Cc1cccc2c1c(=O)c1ccccc1n2C[C@H](O)CN1CCOCC1 42804074 ODYXJTKZFLKTSW-MRXNPFEDSA-N 352.434 2.156 5 1 FEBF NCCOCCOCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587245791 FDSRSLGDPLNDKH-UHFFFAOYSA-N 351.410 2.194 5 1 FEBF O=C(c1ccc(F)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 2944766 RDVGYIPEHKLKLG-AAEUAGOBSA-N 357.341 2.155 5 1 FEBF COc1c2c(c3oc4c(O)cccc4c(=O)c3c1O)C[C@H](C(C)(C)O)O2 13382560 XQCTVPJMQLAEDI-LLVKDONJSA-N 358.346 2.440 5 1 FEBF biogenic COc1cc2c3c(c1)O[C@](Cc1ccccc1[N+](=O)[O-])(C(=O)O)[C@@H](C2)C3=O 587432700 KWJCFQILGAWGRX-DJJJIMSYSA-N 369.329 2.417 5 1 FEBF CC(C)n1c(O)nsc1=Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 2356834432 VFVKTVAQNKFMOH-UHFFFAOYSA-N 370.303 2.188 5 1 FEBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(-n3cnnn3)cc2[nH]1 587159492 PGPYLWGSCYYFHK-UHFFFAOYSA-N 355.289 2.165 5 1 FEBF Cc1cc(N(C)Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c([N+](=O)[O-])cc1F 587136999 ODEIOJGCSUBUAL-UHFFFAOYSA-N 365.756 2.363 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]1CC(=O)O)O2 587389251 KCDHSSQMKYIALL-WRRPDLTESA-N 362.382 2.305 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(C(F)(F)F)nc1)C2 72122721 UMQPCBGONQGZDQ-JTQLQIEISA-N 374.275 2.062 5 1 FEBF CCCCn1c(=O)c2ccc3c(=O)n(CCC)c(=O)c4ccc(c1=O)c2c34 1857764227 WJPBOHMXJMFPKC-UHFFFAOYSA-N 364.401 2.276 5 1 FEBF CCCC[N@+]1(C)[C@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 253989164 YBCNXCRZPWQOBR-HCIXZRCRSA-N 360.474 2.233 5 1 FEBF Cc1onc(-c2nc3cnncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080553 WJJYGVWZHBVPHA-UHFFFAOYSA-N 360.721 2.123 5 1 FEBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(N)ncnc2[nH]1 587265621 XDODAAMRJKNNJY-MRVPVSSYSA-N 372.341 2.195 5 1 FEBF O=C(Cn1cc(COc2cccc([N+](=O)[O-])c2)nn1)c1ccc(O)cc1 61931047 GIRAXBAARVVEKB-UHFFFAOYSA-N 354.322 2.354 5 3 FEBF CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 100519330 YBCNXCRZPWQOBR-DMTZDEEQSA-N 360.474 2.233 5 1 FEBF in-man O=S(=O)(O)Oc1ccc2ccc3ccccc3c2c1OS(=O)(=O)O 31705615 GSZDNVOCMMHYTL-UHFFFAOYSA-N 370.360 2.356 5 1 FEBF in-vitro COc1ccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1OC 169349247 DFSPGKFAPKOCMI-UHFFFAOYSA-N 363.351 2.173 5 1 FEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2c(F)cnc(Br)c2[nH]1 587274244 OOQIOZSNOHRTJF-UHFFFAOYSA-N 355.127 2.321 5 1 FEBF O=c1c2cc([N+](=O)[O-])ccc2nc(CN2CCCNC2)n1-c1ccccc1 169302579 BFTWAJQCIAJTEA-UHFFFAOYSA-N 365.393 2.047 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(OCCN(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263685 NQMKUYLVLFWVEC-YUELXQCFSA-N 374.441 2.164 5 1 FEBF C[N+]12CCc3cc4c(cc3[C@@H]1[C@H](O)c1ccc3c(c1C2)OCO3)OCO4 85899266 UUWJGESPDDCCLS-AQFHOAJTSA-N 354.382 2.435 5 1 FEBF O=C(O)C[C@H]1OCC=C2C[N+]3([O-])CC[C@]45c6ccccc6N[C@H]4[C@@H]1[C@@H]2C[C@@H]53 195514911 LKMZZBZFIQDLES-NDWMCMOXSA-N 368.433 2.255 5 1 FEBF Cc1c2cc[n+]([C@H]3OC[C@@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 40646029 WETNUNOIAPCCPU-UIFIKXQLSA-O 365.409 2.335 5 1 FEBF O=C(Cc1ccccc1)NCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587227939 BOHTUOYFDKQLRD-UHFFFAOYSA-N 369.337 2.281 5 1 FEBF COC(=O)[C@@]1([C@@H](C[N+](=O)[O-])c2ccc(C)cc2)C(=O)NC[C@@H]1c1ccco1 12437195 YWSUKQJIAHDNEA-VCBZYWHSSA-N 372.377 2.021 5 1 FEBF CCOC(=O)[C@@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 100104447 WPKPQGLQJCXHCR-HOTGVXAUSA-N 368.345 2.431 5 1 FEBF COC(=O)[C@@H]1[C@@H](OC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]2CC[C@H]1N2C 100655121 IVFPUHUDFWIBQR-KBXIAJHMSA-N 363.370 2.168 5 1 FEBF COC(=O)c1cc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2cn1 587261188 XUPDPRXLBPNLNO-UHFFFAOYSA-N 358.310 2.337 5 1 FEBF COC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2n1 587270400 XCHACNIZKIJABD-UHFFFAOYSA-N 356.294 2.044 5 1 FEBF COc1ncnc2c1C(c1cccc([N+](=O)[O-])c1)c1c(OC)ncnc1O2 4008258 NKCKMSZZAQAQHO-UHFFFAOYSA-N 367.321 2.478 5 1 FEBF O=C(N[C@H](CO)c1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 26390207 KFHAOBIXBQXILE-MRXNPFEDSA-N 353.334 2.109 5 1 FEBF CSC1=N[C@@H](c2cc([N+](=O)[O-])ccc2SC)C2=C(COC2=O)N1 139186504 ITSPUHWYLWMBTM-LBPRGKRZSA-N 351.409 2.491 5 1 FEBF CN(C)CCNC(=O)c1cccc2ncc(-c3ccc([N+](=O)[O-])cc3)nc12 13586907 XKYFCUBPMYRCLN-UHFFFAOYSA-N 365.393 2.496 5 1 FEBF C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@H]1[C@]4(CO)C(=O)OC 101195050 FYFJKVNWEOWJJQ-QUGBKKFQSA-N 369.485 2.418 5 1 FEBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(O)c2[nH]1 587267391 YFQQWVBJJBCOCH-JVXZTZIISA-N 374.313 2.014 5 1 FEBF COC(=O)[C@@H]1C2=Nc3ccccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 169723795 DEJVHOBZCXTFLG-XGWJBJCRSA-N 354.406 2.125 5 1 FEBF COc1ccc(-n2nc([N+](=O)[O-])c(=NCCc3cccc(C)c3)n2O)cc1 263591999 IZMCFVBVLVIOBM-UHFFFAOYSA-N 369.381 2.280 5 3 FEBF CC1(C)OC(=O)C(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)=C1N 587255569 QQSDQMJNHADCAD-UHFFFAOYSA-N 367.159 2.239 5 1 FEBF COc1cc(O)c2c(=O)c3cccc(O)c3oc2c1C[C@H](O)C(C)(C)O 14819743 JTPXGSADBHDLSL-AWEZNQCLSA-N 360.362 2.040 5 1 FEBF biogenic N[C@@H](Cc1cc(-c2cc(O)ccc2O)c(Cl)c([N+](=O)[O-])c1)C(=O)O 1857761773 XSAWTCPSWFHFII-NSHDSACASA-N 352.730 2.281 5 1 FEBF COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2(C)C[C@H]([C@@H](C)O)[C@@H]1C[C@@H]32 85663290 MWWSQCMVKUHOFF-HJTBXTJPSA-O 355.458 2.026 5 1 FEBF CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 100380575 YBCNXCRZPWQOBR-ZTNAAKEFSA-N 360.474 2.233 5 3 FEBF in-vitro C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587264012 QCEFXPFXOVBJJE-HRDYMLBCSA-N 350.306 2.271 5 1 FEBF CCn1c2cc(N3CCC(O)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 26272338 FNZVDSLQPVHYCH-UHFFFAOYSA-N 369.421 2.129 5 1 FEBF Cn1nnnc1Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O 96932739 ALRIHTZBHZFLTF-UHFFFAOYSA-N 372.366 2.227 5 1 FEBF COC(=O)/N=c1\[nH]c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2[nH]1 45495596 ATSGXBJMDPSCCQ-UHFFFAOYSA-N 370.321 2.428 5 1 FEBF CN(C)CCOc1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587268491 AHBNLDZHZBVDTG-UHFFFAOYSA-N 356.386 2.419 5 1 FEBF CCCS(=O)(=O)N1CCC(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1 586954437 CIISCOWXBYVYEB-UHFFFAOYSA-N 352.416 2.390 5 1 FEBF O=c1cc(O)cc(Cc2cc3cc4cc(O)cc(O)c4c(O)c3c(=O)[nH]2)o1 13369970 BVZYBZYOPZZFAG-UHFFFAOYSA-N 367.313 2.048 5 1 FEBF biogenic COc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1OC 587263840 GHTUDRPHYJFJJU-JTQLQIEISA-N 358.354 2.436 5 1 FEBF Cc1cncc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587272083 LYZXHGBOAGTOAZ-ZDUSSCGKSA-N 354.370 2.073 5 1 FEBF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@@H](O)c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]13 1772624343 BPQSKDCVEPWAGH-TYMNFSKTSA-N 368.389 2.417 5 1 FEBF COc1ccc(-c2ccc(O[C@@H]3COc4nc([N+](=O)[O-])cn4C3)nc2)cn1 1857647954 DMIJJRPNRFOBKG-ZDUSSCGKSA-N 369.337 2.097 5 1 FEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)nn2)c1 587269722 NAZYZMPATDAQFF-UHFFFAOYSA-N 364.321 2.490 5 1 FEBF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587204321 PMVMZXQHOZSAMS-NSHDSACASA-N 367.793 2.203 5 1 FEBF O=[N+]([O-])c1cc(-c2nc3ccc(CCO)cc3[nH]2)nn1CC(F)(F)F 587091323 DOFADFJCXJJKOU-UHFFFAOYSA-N 355.276 2.432 5 1 FEBF O=C(c1cccn2c(=O)c3cc4ccccc4cc3nc12)N1CCOCC1 2957462 LZPOOENXCIVRFF-UHFFFAOYSA-N 359.385 2.473 5 3 FEBF COC[C@@](C)(O)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 14689084 YYTVGIBSAJVHGD-OXQOHEQNSA-N 355.390 2.098 5 1 FEBF endogenous,in-man O=C1COCCN1c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])o3)=NO2)cc1 95558257 IDGWOWROCIIXQH-OAHLLOKOSA-N 357.322 2.417 5 1 FEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Cl)cnc3[nH]2)cc1 586920412 PRKXSXCQFLYLOS-UHFFFAOYSA-N 352.759 2.493 5 1 FEBF CCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2cc([N+](=O)[O-])ccc12 587646939 NJOPIYIUAAREPV-AWEZNQCLSA-N 359.382 2.393 5 1 FEBF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587204320 PMVMZXQHOZSAMS-LLVKDONJSA-N 367.793 2.203 5 1 FEBF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]13 1772585358 YTIQCODRVBJMCF-BIJSTVTOSA-N 368.389 2.417 5 1 FEBF CCCc1c2nc(C(=O)O)cc(C(=O)O)c2cc2c(=O)cc(C(=O)O)oc12 29235863 GMOTUFLIOALJOA-UHFFFAOYSA-N 371.301 2.388 5 1 FEBF C[S@](=O)(=NC(N)=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 60168507 VBCKMADOGOMHAP-RUZDIDTESA-N 360.347 2.180 5 1 FEBF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 962898867 MQDUTUCPTIIHQP-GJZGRUSLSA-N 356.313 2.299 5 1 FEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587273570 ITGMTYZRBMFYBB-UHFFFAOYSA-N 361.671 2.438 5 1 FEBF CCOC(=O)Cc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587261624 CUHBJGFNJXSXSL-KWCYVHTRSA-N 373.409 2.329 5 1 FEBF CC1CCN(C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 1857543892 CIKGFSIUQRZMBB-UHFFFAOYSA-N 367.471 2.480 5 1 FEBF COc1cc(COC(=O)N2CCCC[C@@H]2C(=O)O)c([N+](=O)[O-])cc1OC 1634803 OUMMFGKKQUIMBO-LLVKDONJSA-N 368.342 2.188 5 1 FEBF O=C(N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)n1nnc2ccccc21 95578400 KVPRSLKRVLHJKI-UHFFFAOYSA-N 366.381 2.125 5 1 FEBF Cc1noc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1Br 26474629 KQMKDYCUOBXWQB-UHFFFAOYSA-N 362.161 2.455 5 1 FEBF N=C(N)c1ccc(-c2cc(-c3ccc(C(=N)N)cc3[N+](=O)[O-])no2)cc1 28644539 VMDNVKRUPBMRQR-UHFFFAOYSA-N 350.338 2.485 5 1 FEBF CCCC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 2040948 YBCNXCRZPWQOBR-UVJKLDLFSA-N 360.474 2.233 5 1 FEBF O=[N+]([O-])c1cccc(CNc2cccn3nc(N4CCOCC4)nc23)c1 96169622 JUPYENMCTBWLBT-UHFFFAOYSA-N 354.370 2.086 5 1 FEBF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 26656964 MDDOOCLODPZQSE-IBGZPJMESA-N 369.421 2.372 5 1 FEBF Cc1nonc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc([N+](=O)[O-])cc1 45290869 IETILKBQLFYITP-AWEZNQCLSA-N 368.353 2.279 5 1 FEBF COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cn1 587092476 POMKBJXYLFUJFG-UHFFFAOYSA-N 370.247 2.079 5 1 FEBF NCCn1nc2c3ccccc3sc3c(NCCNCCO)ccc1c32 29330647 ORKKZPRMXREWMS-UHFFFAOYSA-N 369.494 2.357 5 1 FEBF CCOCCOC(=O)c1c(SC)nn(-c2ccc([N+](=O)[O-])cc2)c1N 40955400 DGHDLDDKYYBUQR-UHFFFAOYSA-N 366.399 2.278 5 1 FEBF NC(=O)c1c(F)ccc(OC[C@@H]2COc3ccc([N+](=O)[O-])cc3O2)c1F 1772653116 CSSOVHUJYDFRBT-VIFPVBQESA-N 366.276 2.191 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(C(F)(F)F)cn1)C2 72126002 UDMFEHQBIPLANO-JTQLQIEISA-N 374.275 2.062 5 1 FEBF C[C@H](NC(=O)c1cc2c(=O)n3ccccc3nc2[nH]c1=N)c1ccccc1 1857647026 OOSPKVZPLIIQRF-LBPRGKRZSA-N 359.389 2.146 5 1 FEBF COc1ccccc1CNC(=O)[C@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1 13478434 TVLLGQMJESYNNZ-QGZVFWFLSA-N 355.350 2.413 5 3 FEBF CCN1CCN(Cc2nc3ccc([N+](=O)[O-])cc3c(=O)n2C(C)C)CC1 199443934 DFOKPZDYZJCYCX-UHFFFAOYSA-N 359.430 2.023 5 1 FEBF O=[N+]([O-])c1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1[N+](=O)[O-] 587269609 VPVSIYSRGOEYEN-UHFFFAOYSA-N 359.258 2.295 5 1 FEBF C[C@@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277477 WUISNJXKOFUJIT-LBPRGKRZSA-N 356.386 2.109 5 1 FEBF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]13 1772585359 YTIQCODRVBJMCF-ODZKNYGOSA-N 368.389 2.417 5 1 FEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2nc(Br)c[nH]c-2n1 587268278 ZTQCPGKBGSGRMJ-LURJTMIESA-N 352.152 2.089 5 1 FEBF CN1CCc2cc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2C1 1857769131 CVEAEOKSNVSXBL-UHFFFAOYSA-N 370.365 2.421 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccnc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263423 MOHMIETUCZKXHL-HLTSFMKQSA-N 367.203 2.381 5 1 FEBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CN[C@H](CF)C3)cc1 13581961 FWEQVNUHWLTAQJ-AWEZNQCLSA-N 365.386 2.379 5 1 FEBF COCCOc1ccc(-c2nc3c(C(=O)OC)ccnc3[nH]2)cc1[N+](=O)[O-] 587265901 SDGBGEOMIRSZRP-UHFFFAOYSA-N 372.337 2.345 5 1 FEBF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)o1 586930241 BARWRSPZKALKSR-UHFFFAOYSA-N 354.319 2.121 5 1 FEBF CCOC(=O)[C@H](C[C@H]1C(=O)C2CCN1CC2)C(=O)c1ccc([N+](=O)[O-])cc1 64254270 NIKBGARVJSHMFV-CVEARBPZSA-N 374.393 2.010 5 1 FEBF COC(=O)CCn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 653700702 IOFDTQYPDXIGRN-UHFFFAOYSA-N 355.350 2.323 5 1 FEBF O=C(O)CCN(CCc1nc2cc([N+](=O)[O-])cnc2[nH]1)Cc1ccccc1 587193367 IOKRSLJKCYWFJY-UHFFFAOYSA-N 369.381 2.386 5 1 FEBF NS(=O)(=O)Cc1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 586930185 NPFFZHHCWGYCGO-UHFFFAOYSA-N 350.331 2.066 5 1 FEBF CC1(C)CCc2c3c(c4oc(=O)c5c(c4c2O1)CCC5)[C@H](O)[C@@H]([N+](=O)[O-])O3 169342987 YCVRHRRHJFVMDJ-GUYCJALGSA-N 373.361 2.414 5 1 FEBF CCOC(=O)[C@@H](C)[S@](=O)c1nnc(-c2ccc([N+](=O)[O-])s2)s1 28570485 ZNXIFPOMQDHANC-OKGXIFKESA-N 361.426 2.234 5 1 FEBF COC(=O)[C@@]1(c2cc3ccccc3[nH]2)COCC=C2C[N@+](C)([O-])CC[C@@H]21 299806956 NHKZFALDMLZGHK-XUEUYAKLSA-N 356.422 2.500 5 1 FEBF COC(=O)[C@H]1[C@@H](OC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]2CC[C@@H]1N2C 27842335 IVFPUHUDFWIBQR-CBBWQLFWSA-N 363.370 2.168 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cncc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] 587264863 UQIQKUHMFCMNJS-VGMNWLOBSA-N 367.203 2.381 5 1 FEBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3nc(O)[nH]c3cc2[nH]1 587270877 VPEBHVXCVXVGLW-UHFFFAOYSA-N 353.294 2.445 5 1 FEBF COC(=O)c1ccnc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc12 587092116 RLWYGLNVQREIMQ-UHFFFAOYSA-N 370.247 2.079 5 1 FEBF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@H](O)c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]13 1772599446 BPQSKDCVEPWAGH-ODTDCLSCSA-N 368.389 2.417 5 1 FEBF COc1nn(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1[N+](=O)[O-] 587874499 DLGVILURNGGHII-UHFFFAOYSA-N 359.273 2.249 5 1 FEBF COc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587271760 JKHLDGXORBGGSA-AWEZNQCLSA-N 369.381 2.378 5 1 FEBF CC(=O)Nc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1[N+](=O)[O-] 962898091 FCNXLANYWWBRBS-DOTOQJQBSA-N 373.340 2.381 5 1 FEBF O=[N+]([O-])c1ccc(CN2CCN(c3ccc(N4CCOCC4)cc3)CC2)o1 653796425 PUKMVMHKHKGSAQ-UHFFFAOYSA-N 372.425 2.347 5 1 FEBF Cc1nn(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c(C)c1Br 586978765 GNYOOOITUNMMNF-UHFFFAOYSA-N 351.164 2.490 5 1 FEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(S)nc(S)nc2[nH]1 587267948 JSNZRAUMEBOKGZ-UHFFFAOYSA-N 351.417 2.207 5 1 FEBF COc1ccc(CCNC(=O)[C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NO2)cc1 8578689 CFCJVSNCKGAAIN-SFHVURJKSA-N 369.377 2.455 5 3 FEBF C[C@@]12COC(=O)N1C(=O)N(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C2=O 40577174 ZKDOBLOIJSTNBP-LBPRGKRZSA-N 359.216 2.291 5 1 FEBF CCCC[C@H](Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-])[C@H](C)O 27194482 HJFBVCZUTHYPEP-UWVGGRQHSA-N 355.395 2.492 5 1 FEBF Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc([N+](=O)[O-])cc1 45290867 IETILKBQLFYITP-CQSZACIVSA-N 368.353 2.279 5 1 FEBF O=C1C[C@H]2OCC=C3C[N+]4([O-])CC[C@@]56c7ccccc7N1[C@@H]5[C@@H]2[C@H]3C[C@@H]64 70455615 ADTDBAKUQAKBGZ-GFPDPAGDSA-N 350.418 2.105 5 1 FEBF biogenic,in-vitro Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 4845776 JJDXFQYTEGVSCN-OGRXGRENSA-N 371.393 2.263 5 1 FEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586920033 DLFBPQBCWYEQOE-UHFFFAOYSA-N 362.323 2.353 5 1 FEBF COc1cccc2c(=O)c3c(O)cc4c(c3oc12)[C@@H]1OC[C@]2(CO2)[C@@H]1O4 28470086 YAFALMMZMQQINN-OTWHNJEPSA-N 354.314 2.262 5 1 FEBF O=C1CSC[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)N1 587044594 ZPIDBNLBBSDEOJ-ZETCQYMHSA-N 357.189 2.138 5 1 FEBF COC(=O)c1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cn1 587261375 AFZJPCADAHULMV-UHFFFAOYSA-N 358.310 2.240 5 1 FEBF COc1ccc([C@@]2(C)OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc1 1857535755 GFLJNSFBOBLHBP-QGZVFWFLSA-N 373.369 2.173 5 1 FEBF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@H](O)c1ccccc1[N+](=O)[O-] 66252834 UOEBVGPUTWXKDH-UYHISHBKSA-N 371.345 2.389 5 1 FEBF Cc1nc([N+](=O)[O-])cn1C[C@H](O)CSC(=S)N1CCC[C@H](C)C1 1772638809 NYTJVRGQICAFPS-JQWIXIFHSA-N 358.489 2.211 5 1 FEBF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 586941139 OLYSYUHZVYFJGE-VOTSOKGWSA-N 373.394 2.265 5 1 FEBF COc1ccc(C(=O)CN2C=C(Br)C=C[C]2N)cc1[N+](=O)[O-] 2356840910 FYMITNGWYFJENM-UHFFFAOYSA-N 367.179 2.342 5 1 FEBF O=c1nc(N2CCOCC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 96910803 OUKNSMGESGMZDW-UHFFFAOYSA-N 361.301 2.420 5 1 FEBF CN1CCN(C(=O)c2cccc(-c3cc(C=O)c(O)c([N+](=O)[O-])c3)c2)CC1 169699674 ZWGUIONACFFZNI-UHFFFAOYSA-N 369.377 2.168 5 1 FEBF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc([N+](=O)[O-])s1 34499883 DYAYBCFQSRNPME-UHFFFAOYSA-N 352.368 2.237 5 1 FEBF COC(=O)C1=C2Nc3ccccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 49803182 DHECBQUIZKPOOU-GEALIGENSA-N 354.406 2.103 5 1 FEBF CN(C)CCCNc1ccc2nnn3c4ccc([N+](=O)[O-])cc4c(=O)c1c23 5732895 SLMMMKSIZVYGER-UHFFFAOYSA-N 366.381 2.106 5 1 FEBF O=[N+]([O-])c1cnc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c1 587127370 RLJXOGLJJHVSIO-UHFFFAOYSA-N 373.272 2.222 5 1 FEBF CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 100519324 YBCNXCRZPWQOBR-MMKSLTKBSA-N 360.474 2.233 5 1 FEBF in-man O=[N+]([O-])c1ccc([C@H](O)Cn2cc([N+](=O)[O-])nc2Br)cc1 66077253 KMSCAYSQHVWZLA-SECBINFHSA-N 357.120 2.196 5 1 FEBF COc1ccccc1C(=O)Nc1nc(N)nc(-c2ccco2)c1[N+](=O)[O-] 43012750 WJAZVKMCXZWOKB-UHFFFAOYSA-N 355.310 2.488 5 1 FEBF C[C@@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 40950547 FFLIJKBMHPEWFR-SECBINFHSA-N 365.342 2.270 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cncc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587264862 UQIQKUHMFCMNJS-IWSPIJDZSA-N 367.203 2.381 5 1 FEBF COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1OC=C[C@]41O 6019188 QRARGUIFAGCOOA-MOPGFXCFSA-N 354.314 2.413 5 1 FEBF biogenic O=C(O)c1ccc2oc3ccc(S(=O)(=O)N4CCCC4)cc3c(=O)c2c1 28258390 VICSKGCWJWVQQC-UHFFFAOYSA-N 373.386 2.429 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCCCO4)[C@@H]1C[N+](=O)[O-] 587263022 JHGBTJUYOXSVQO-GRYCIOLGSA-N 359.382 2.385 5 1 FEBF COc1cc(OS(=O)(=O)O)c2c(c1)cc(O)c1c(=O)cc(C)oc12 31706309 VNCBXISCBOHKSC-UHFFFAOYSA-N 352.320 2.150 5 1 FEBF biogenic Cc1ccccc1[C@H]1NC(=S)Nc2c1c(=O)nc1sc([N+](=O)[O-])cn21 169729547 IWRBCOGBZYKYFL-LLVKDONJSA-N 373.419 2.362 5 1 FEBF CN(C)CCNc1nc2cc(C(=O)O)ccc2c2cnc(NC3CC3)nc12 167665884 OZUVJIPQMHHRMS-UHFFFAOYSA-N 366.425 2.424 5 1 FEBF O=C(NCCCCn1cnc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1 84710529 OTILLRLWYYZZTJ-UHFFFAOYSA-N 357.292 2.415 5 1 FEBF COC(=O)C1=C2Nc3ccccc3[C@]23CC[N@+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 254101050 DHECBQUIZKPOOU-IFLILDFKSA-N 354.406 2.103 5 1 FEBF CCS(=O)(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587268597 GEISBIGYQLJVJW-UHFFFAOYSA-N 361.383 2.272 5 1 FEBF CN(C)S(=O)(=O)CCc1nc2c3cccnc3c3ncccc3c2[nH]1 586932159 VDRSDUDWRKSKCG-UHFFFAOYSA-N 355.423 2.093 5 1 FEBF Cc1cn(Cn2cnc(-c3cnn(C)c3)c2-c2ccc([N+](=O)[O-])cc2)nn1 299858737 GTOATASLSLQVCO-UHFFFAOYSA-N 364.369 2.265 5 1 FEBF Cc1ccc(C(=O)c2c3ccc([N+](=O)[O-])cc3[n+]([O-])n2CCCN)cc1 36383462 JEHALSGITWXULY-UHFFFAOYSA-N 354.366 2.071 5 3 FEBF CCN1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@]12OC(=O)c1ccccc12 34867557 FIYGHYXPEOQWJG-SFHVURJKSA-N 367.317 2.407 5 1 FEBF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 586945367 DSZVUQWIEZTRBZ-UHFFFAOYSA-N 350.356 2.089 5 1 FEBF C/C=C1/C[N@@+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@H]1[C@@]4(CO)C(=O)OC 253664762 FYFJKVNWEOWJJQ-BCPGZQIVSA-N 369.485 2.418 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCCCO4)[C@H]1C[N+](=O)[O-] 587263024 JHGBTJUYOXSVQO-UTUOFQBUSA-N 359.382 2.385 5 1 FEBF O=C1CC=C2[C@H]3C[C@H]4[C@@]5(CC[N@@+]4([O-])C/C3=C/CO)c3ccccc3N1[C@@H]25 255221723 JSOOHERMGHRAQI-ATWSPDMNSA-N 350.418 2.009 5 1 FEBF in-vitro Cc1nc([N+](=O)[O-])cn1C[C@@H](O)CSC(=S)N1CCC[C@@H](C)C1 1772638811 NYTJVRGQICAFPS-ZYHUDNBSSA-N 358.489 2.211 5 1 FEBF CCOC(=O)c1cccn1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 6403775 ZSXUWILVJKMINR-UHFFFAOYSA-N 358.759 2.463 5 1 FEBF Cc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1 587271688 IWVYMOLPGAINLL-ZDUSSCGKSA-N 354.370 2.073 5 1 FEBF O=[N+]([O-])c1c[nH]c(-c2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)o2)c1 103281414 HKURHPFBAGTEIE-UHFFFAOYSA-N 362.214 2.162 5 1 FEBF NC(=O)c1cc(N2CCC(c3nc4cnccc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262902 HRHLEMDNLOIGNS-UHFFFAOYSA-N 366.381 2.349 5 1 FEBF O=C(O)CCN(CCc1nc2cncc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 587193410 JWQCYBCIGAHKAF-UHFFFAOYSA-N 369.381 2.386 5 1 FEBF O=C1COc2ccccc2N1Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 1857639284 YFCVCGFLCQVKJY-UHFFFAOYSA-N 351.322 2.101 5 1 FEBF CCOC(=O)c1cc2n(n1)[C@H](C(=O)O)Nc1cc(Cl)c([N+](=O)[O-])cc1-2 27329695 YAMDMBCFVXPSBZ-GFCCVEGCSA-N 366.717 2.297 5 1 FEBF Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])n1C[C@H](C)O 35075788 WEAOWCGKICGCCK-VIFPVBQESA-N 373.818 2.108 5 1 FEBF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587431337 DHYVOZVLBZLDAT-KPZWWZAWSA-N 352.302 2.198 5 1 FEBF N[C@@H](CCc1nc2cc(Cl)ncc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587269366 BKYTUYKWYYBGPD-NSHDSACASA-N 374.788 2.418 5 1 FEBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1c(C)nn(C)c1C 587647003 BVTFMRLVIGHONJ-UHFFFAOYSA-N 356.338 2.444 5 1 FEBF Cc1onc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1[N+](=O)[O-] 4937470 KWSMRTMQIZTIHV-UHFFFAOYSA-N 350.356 2.183 5 3 FEBF CC1CCC(NS(=O)(=O)Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 586953614 WMJHFFSMVQWMCN-UHFFFAOYSA-N 352.416 2.469 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1nn(C)cc1[N+](=O)[O-])O2 587388483 CUBWIOMEHNVBKY-QWNKOJSDSA-N 371.397 2.155 5 1 FEBF CC[C@@H]1C(=O)N2C[C@@H]1C=C(OC)[C@H]2C(=O)OCc1ccc([N+](=O)[O-])cc1 26506797 OKHQTPASIWGVQC-NOLJZWGESA-N 360.366 2.035 5 1 FEBF COc1cc([C@@]2(C)NCCc3nc4ccccn4c32)cc([N+](=O)[O-])c1O 962986333 SPBBTRMLKJTDFE-GOSISDBHSA-N 354.366 2.366 5 1 FEBF COc1cccc(Cn2c3nc(=O)nc(O)c-3nc3ccccc32)c1OC 261181539 WFHWCRXKOXCBNS-UHFFFAOYSA-N 364.361 2.062 5 1 FEBF Cc1cnc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 587274591 ZODMTFUXXQPCEK-ZDUSSCGKSA-N 354.370 2.073 5 1 FEBF CN(C)CCNC(=O)c1cccc(NC(=O)c2ccccc2)c1[N+](=O)[O-] 5810330 GBAOSVRJJSWGIF-UHFFFAOYSA-N 356.382 2.139 5 1 FEBF COc1ccccc1CNC(=O)[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 8666497 KRLBEGGOJCZUBV-KRWDZBQOSA-N 355.350 2.413 5 3 FEBF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 586951495 PEFKJVYUSZJEME-UHFFFAOYSA-N 353.385 2.275 5 1 FEBF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C(=O)O)c1ccc([N+](=O)[O-])cc1 963614238 WYVPNOYCVRDFGW-JEOXALJRSA-N 372.377 2.474 5 1 FEBF CCOC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587263802 OMFMBZRMUMNQKP-WXHSDQCUSA-N 359.382 2.400 5 1 FEBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)C(=O)[C@H](O)C(C)(C)O2 40867163 HPSMPQLXGNXKOB-IBGZPJMESA-N 353.374 2.415 5 1 FEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Cl)ncc3[nH]2)cc1 586920069 LGGUJHPBXLVPBV-UHFFFAOYSA-N 352.759 2.493 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)ccnc3[nH]2)[C@H]1C[N+](=O)[O-] 587259238 BAKBSJTUOCEYAS-HLTSFMKQSA-N 367.203 2.381 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587264013 QCEFXPFXOVBJJE-IWSPIJDZSA-N 350.306 2.271 5 1 FEBF COC(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1OC 587267877 TTXYRTOWMDMWHB-VIFPVBQESA-N 359.342 2.381 5 1 FEBF COC(=O)c1cccc2nc3c(C(=O)OC)ccc(OC(C)=O)c3nc12 238742713 XYTNWSBLYHTVSO-UHFFFAOYSA-N 354.318 2.282 5 1 FEBF O=CN1CCN(c2cc(Br)c3cc([N+](=O)[O-])ccc3n2)CC1 27886571 DJCGJQPACMISAR-UHFFFAOYSA-N 365.187 2.184 5 1 FEBF O=[N+]([O-])c1cc(-c2nnn(Cc3cc(F)cc(F)c3)n2)cc([N+](=O)[O-])c1 1772642899 OOGQLRQYYYAEID-UHFFFAOYSA-N 362.252 2.483 5 1 FEBF O=c1c2nc([N+](=O)[O-])cn2ccn1Cc1ccccc1OC(F)(F)F 1857614774 VSAPQDHUXVOOGL-UHFFFAOYSA-N 354.244 2.351 5 1 FEBF N=C(N)c1cccc(-c2cc(-c3cccc(C(=N)N)c3[N+](=O)[O-])no2)c1 28644060 KATOALKDPAOLFD-UHFFFAOYSA-N 350.338 2.485 5 1 FEBF O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 653728701 QAGSGCFHQZNPAI-UHFFFAOYSA-N 369.786 2.165 5 1 FEBF COC(=O)c1cc2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc2cc1OC 587268068 WIBOMHKAQVQQBU-SECBINFHSA-N 359.342 2.381 5 1 FEBF O=[N+]([O-])c1ccn(CCCc2nc3cc(Br)ncc3[nH]2)n1 587272838 CIDFXEMEALOBRO-UHFFFAOYSA-N 351.164 2.458 5 1 FEBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1c(C)nn(C)c1C 587647343 GEIBFTBERLWFIS-UHFFFAOYSA-N 356.338 2.444 5 1 FEBF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 586924920 CNRMNTNHXIGZPI-UHFFFAOYSA-N 374.378 2.085 5 1 FEBF CC(=O)N[C@H](Cc1ccccc1)C(=O)NC/C=C/c1ccc([N+](=O)[O-])cc1 26014240 GACNQDOXLVPFKD-MTCRFPMVSA-N 367.405 2.472 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cnc3[nH]2)[C@H]1C[N+](=O)[O-] 587261356 BLQJYTVKHDXZNW-QNSHHTMESA-N 367.203 2.381 5 1 FEBF Cc1cccc2c1c(=O)c1ccccc1n2C[C@@H](O)CN1CCOCC1 42804079 ODYXJTKZFLKTSW-INIZCTEOSA-N 352.434 2.156 5 1 FEBF Cc1cc(N(C)Cc2nc3c(O)nc(S)nc3[nH]2)c([N+](=O)[O-])cc1F 587137366 WWPPBLDJSSYMGR-UHFFFAOYSA-N 364.362 2.339 5 1 FEBF COC(=O)c1cc2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2cc1OC 587268490 AGPWCQXHBQBUMV-UHFFFAOYSA-N 357.326 2.273 5 1 FEBF COc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cn1 587119012 VOWMUNLVWVEVJD-UHFFFAOYSA-N 356.264 2.447 5 1 FEBF O=C(O)C[C@H]1OCC=C2C[N+]3([O-])CC[C@@]45c6ccccc6N[C@H]4[C@@H]1[C@@H]2C[C@@H]53 195514914 LKMZZBZFIQDLES-KLHRMKHESA-N 368.433 2.255 5 1 FEBF COC(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1OC 587268555 DGYVUGOXZUFYSD-UHFFFAOYSA-N 357.326 2.273 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(OCCN(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263683 NQMKUYLVLFWVEC-SNPRPXQTSA-N 374.441 2.164 5 1 FEBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(O)ncnc2[nH]1 587263946 PJMRZICWYKAUJU-MRVPVSSYSA-N 373.325 2.318 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)ccnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587259247 BAKBSJTUOCEYAS-IWSPIJDZSA-N 367.203 2.381 5 1 FEBF COc1c2c(c3oc4c(O)cccc4c(=O)c3c1O)C[C@@H](C(C)(C)O)O2 13382559 XQCTVPJMQLAEDI-NSHDSACASA-N 358.346 2.440 5 1 FEBF biogenic O=[N+]([O-])c1cnc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2c1 586922490 PEOPCQXKIJKEDQ-UHFFFAOYSA-N 372.406 2.371 5 1 FEBF N=C(N)c1cccc(-c2cc(-c3ccc(C(=N)N)cc3[N+](=O)[O-])no2)c1 28644939 VBZNXPZVFKLQIF-UHFFFAOYSA-N 350.338 2.485 5 1 FEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1 586920464 KPCLMEVOPCNDJC-UHFFFAOYSA-N 357.351 2.321 5 1 FEBF O=c1c2cccc(O)c2c(=O)c2c(O)c3c(cc12)c(=O)c1c(O)cccc13 58581303 SQYXINNIHPQYPE-UHFFFAOYSA-N 358.305 2.372 5 1 FEBF biogenic CN1C(=O)c2cc([N+](=O)[O-])ccc2[C@H]2C(=O)c3cc4c(cc3[C@H]21)OCO4 27190264 VUBOMZOPNRCITO-HZPDHXFCSA-N 352.302 2.430 5 1 FEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587264621 GUQLBAXHUYAVFP-BONVTDFDSA-N 356.342 2.143 5 1 FEBF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 586941138 OLYSYUHZVYFJGE-SREVYHEPSA-N 373.394 2.265 5 1 FEBF Nc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1CC(=O)O 587248895 BCSQTNOXJVGBCA-UHFFFAOYSA-N 357.282 2.256 5 1 FEBF Cc1cc(CO)c2c(=O)c3c(O)c(C[C@@H](O)C(C)(C)O)ccc3oc2c1 2356637109 HMOJWLADOJJVCE-OAHLLOKOSA-N 358.390 2.127 5 1 FEBF CCCc1cc(O)c2c(=O)c3c(O)cc(OS(=O)(=O)O)cc3cc-2o1 2356876148 ZHVBUCSTTJXKQW-UHFFFAOYSA-N 366.347 2.443 5 1 FEBF COCCNc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)cc1[N+](=O)[O-] 587261369 ADNOGUKSQKZKJY-UHFFFAOYSA-N 354.370 2.480 5 1 FEBF CCOC(=O)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 4898545 WPKPQGLQJCXHCR-CVEARBPZSA-N 368.345 2.431 5 1 FEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2nc(Br)c[nH]c-2n1 587267709 PFHZKTQVQCKKCJ-UHFFFAOYSA-N 366.179 2.343 5 1 FEBF C[S@@](=O)COC(=O)[C@@H](O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 103224977 RFZTVCJNFBZSFS-ZKCULZBNSA-N 366.503 2.393 5 1 FEBF COc1cc2c(=O)oc3c(OC)c(OC)c(O)c4c(=O)oc(c1OC)c2c34 238789106 PCRAJVFKOKYPDU-UHFFFAOYSA-N 374.301 2.230 5 1 FEBF Cc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1C 587273442 UFUXEQHDEAUAHN-HOTGVXAUSA-N 370.365 2.121 5 1 FEBF CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1[N+](=O)[O-] 13153746 TWNYYNOOHDOFDF-DGESLXCPSA-N 368.345 2.078 5 1 FEBF CN(C)S(=O)(=O)CCc1nc2cc3nc4ccccc4nc3cc2[nH]1 586931472 DOLWNQSIHOPSTM-UHFFFAOYSA-N 355.423 2.093 5 1 FEBF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc([N+](=O)[O-])c2[nH]1 586929415 BOBPXAYSBWZWLP-UHFFFAOYSA-N 362.367 2.006 5 1 FEBF CN(C)CCNC(=O)c1cccc(N(C)C(=O)c2ccccc2)c1[N+](=O)[O-] 5809844 MGTJAFLWCYDZTJ-UHFFFAOYSA-N 370.409 2.163 5 1 FEBF CNC1=C(C(=O)OC)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C(C)C1 28121535 PRPYMGVAGJGDPW-OAHLLOKOSA-N 360.366 2.218 5 1 FEBF O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1cccc([N+](=O)[O-])c1 1772640166 ZKOKEWLGWSGLHO-UHFFFAOYSA-N 354.318 2.024 5 1 FEBF COC(=O)c1cccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 587263841 GLVSCZQBQABMIA-NSHDSACASA-N 356.338 2.206 5 1 FEBF COCCNC(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82135938 LAUVMBFJNKTFAU-UHFFFAOYSA-N 371.397 2.250 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCCCO4)[C@@H]1C[N+](=O)[O-] 587263023 JHGBTJUYOXSVQO-IJLUTSLNSA-N 359.382 2.385 5 1 FEBF CCOC(=O)CSc1ccc([N+](=O)[O-])c(SCC(=O)OCC)n1 84154598 CVAODWHEHGHIIT-UHFFFAOYSA-N 360.413 2.300 5 1 FEBF biogenic,in-vitro N[C@@H](CCc1nc2cncc(Cl)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271037 XSOCNTDRUMJFGG-LBPRGKRZSA-N 374.788 2.418 5 1 FEBF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(F)c([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587429289 UALLMNXZKQAWLM-XTZNXHDOSA-N 370.292 2.338 5 1 FEBF O=C1NC(=O)C(c2ccc([N+](=O)[O-])cc2)=C1Nc1ccc(O)c(Cl)c1 27710755 PNDIXJLRUQUEIM-UHFFFAOYSA-N 359.725 2.433 5 1 FEBF CC(=O)N1CCc2[nH]c(/C=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2C1 96272953 FWXNEFMIRVAQLN-CHHVJCJISA-N 352.350 2.320 5 1 FEBF COc1c(O)c2c(c3c(=O)c4cccc(O)c4n(C)c13)OC(C)(C)[C@@H](O)C2 66077456 QAUFACGSJSABOB-LBPRGKRZSA-N 371.389 2.186 5 1 FEBF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(F)cc([N+](=O)[O-])cc21 587387764 WMKWKPQXQUOSBL-QGZVFWFLSA-N 357.297 2.437 5 1 FEBF COc1ccc(Cn2nnnc2-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1772614198 KFHMQUVHUZVNEW-UHFFFAOYSA-N 356.298 2.213 5 1 FEBF COC[C@](C)(O)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 14689086 YYTVGIBSAJVHGD-UZLBHIALSA-N 355.390 2.098 5 1 FEBF endogenous,in-man Cc1cc(=O)oc2c1ccc1c(OCC(=O)N3CCN(C)CC3)cccc12 84632398 MPVVITAITYUSBW-UHFFFAOYSA-N 366.417 2.407 5 1 FEBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cncnc3[nH]2)CC1 587269578 FPRDDWLNAIHBRL-UHFFFAOYSA-N 352.354 2.281 5 1 FEBF CC(=O)N[C@@H](CSC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)O 66251698 IPUWMALTYJODFG-JTQLQIEISA-N 361.763 2.103 5 1 FEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2nc(Br)c[nH]c-2n1 587268279 ZTQCPGKBGSGRMJ-ZCFIWIBFSA-N 352.152 2.089 5 1 FEBF CCOC(=O)CCCn1cc([N+](=O)[O-])c2cc(OC)c(OC)cc2c1=O 13800929 NBWIRHZNJCBJTE-UHFFFAOYSA-N 364.354 2.270 5 1 FEBF O=c1c2ccc(Cl)cc2[nH]c2c(O)nn(Cc3nccs3)c(=O)c12 28655986 SSRJQXUJDYGYAO-UHFFFAOYSA-N 360.782 2.102 5 1 FEBF CC(C)CC(=O)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] 1857561947 IHKBGMYFMFUWMX-UHFFFAOYSA-N 352.347 2.324 5 1 FEBF CC[C@@H]1C(=O)N2C[C@@H]1C=C(OC)[C@@H]2C(=O)OCc1ccc([N+](=O)[O-])cc1 26506792 OKHQTPASIWGVQC-DUVNUKRYSA-N 360.366 2.035 5 1 FEBF COCCCNc1cc(NCc2cccnc2)c(C(N)=O)cc1[N+](=O)[O-] 95921343 IRKLIGPGIXNXTP-UHFFFAOYSA-N 359.386 2.149 5 1 FEBF in-vitro Cc1ccc(C)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 587272274 LWVAZDIZPHCPAJ-HOTGVXAUSA-N 370.365 2.121 5 1 FEBF CCCCc1nnc2c(O)nc3cc([N+](=O)[O-])c(-n4ccnc4)cc3n12 13763204 VKRQQVREUYCGSS-UHFFFAOYSA-N 353.342 2.420 5 1 FEBF COC(=O)c1ccnc2[nH]c(-c3cc(OC)cc([N+](=O)[O-])c3OC)nc12 587261218 ZEFJZFWLOQBKFZ-UHFFFAOYSA-N 358.310 2.337 5 1 FEBF O=C1CC[C@@H]2[C@H]3C[C@H]4[C@]5(CC[N+]4([O-])C/C3=C/CO)c3ccccc3N1[C@H]25 59587520 IKFPXBJQXNPNPL-LMGNTZCFSA-N 352.434 2.089 5 1 FEBF biogenic,in-vitro COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c([N+](=O)[O-])cc(F)cc41)[C@@H](C2)C3=O 587426616 DMZWFHRBJLFURB-VOJFVSQTSA-N 370.292 2.338 5 1 FEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(Cl)ccnc3[nH]2)cc1 586920109 MLXWXIGADILORE-UHFFFAOYSA-N 352.759 2.493 5 1 FEBF C/C=C1/C[N@@+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@H]1[C@]4(CO)C(=O)OC 253664785 FYFJKVNWEOWJJQ-WTYVPOBVSA-N 369.485 2.418 5 1 FEBF O=C(O)C[C@@H]1OCC=C2C[N+]3([O-])CC[C@]45c6ccccc6N[C@H]4[C@@H]1[C@@H]2C[C@@H]53 195514908 LKMZZBZFIQDLES-MLCJKXMRSA-N 368.433 2.255 5 1 FEBF CC1CCN(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 1857592705 AXKDYPDHIHPDGN-UHFFFAOYSA-N 367.471 2.480 5 1 FEBF O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)S(=O)(=O)N=C2O 84631992 JBZLAHGGDMOUNR-UHFFFAOYSA-N 362.323 2.246 5 1 FEBF CN1C(=O)NC(=O)[C@H](C(=O)Nc2ccc3cc4ccccc4cc3c2)C1=O 1772574367 CAJQEKGKQOEDFI-INIZCTEOSA-N 361.357 2.256 5 1 FEBF CN1CCN(c2ccc([C@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)C(=O)C1 95558707 YQLLONIEIFEJGE-MRXNPFEDSA-N 370.365 2.332 5 1 FEBF COc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260844 IQMDZAVUTDSWSK-UHFFFAOYSA-N 367.325 2.131 5 1 FEBF COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3[C@H]1O)OCO4)[N+](C)([O-])CC2 15219610 GIGLNPLPIFRSFH-PDYHCXRVSA-N 371.389 2.115 5 1 FEBF O=c1c2nc([N+](=O)[O-])cn2ccn1Cc1cccc(OC(F)(F)F)c1 1857572008 QQPOTHPDJBKMBI-UHFFFAOYSA-N 354.244 2.351 5 1 FEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587268042 VYHVWJPPINSEHS-CYBMUJFWSA-N 369.429 2.337 5 1 FEBF CN1CCN(c2ccc3nc(CNc4ncccc4[N+](=O)[O-])[nH]c3c2)CC1 587268953 ONBYKTWWZSSXTO-UHFFFAOYSA-N 367.413 2.230 5 1 FEBF O=[N+]([O-])c1ccn(CCCc2nc3ccnc(Br)c3[nH]2)n1 587274030 RMQXMTWSSUXXON-UHFFFAOYSA-N 351.164 2.458 5 1 FEBF O=C(Nc1ccc(F)cc1)c1c(O)n(O)c(=O)c2cc([N+](=O)[O-])ccc12 169349209 SYALTUKDNUYHMK-UHFFFAOYSA-N 359.269 2.244 5 1 FEBF Cc1nn(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C)c1Br 586978769 GTVCUYVQKIFAOX-UHFFFAOYSA-N 351.164 2.490 5 1 FEBF O=C1OCC(OCCNNc2ccc([N+](=O)[O-])cc2)=C1c1ccccc1 72173602 CLOYSJJFBRKPGG-UHFFFAOYSA-N 355.350 2.496 5 1 FEBF CN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 73199061 NXKVXOWDQBXZDS-UHFFFAOYSA-N 351.340 2.324 5 1 FEBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(O)ncnc2[nH]1 587263948 PJMRZICWYKAUJU-QMMMGPOBSA-N 373.325 2.318 5 1 FEBF Nc1ncc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1[N+](=O)[O-] 587268450 YNDYGBOJEOZWIA-UHFFFAOYSA-N 353.111 2.412 5 1 FEBF Cc1c(O)ccc2c1[C@@]1(C=COc3ccc([N+](=O)[O-])cc31)N[C@H](C(=O)O)C2 963520919 AFAHVMDSGIBPQC-LIRRHRJNSA-N 368.345 2.357 5 1 FEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(N)c(N)cc2[nH]1 587116682 BGOYYYJBZHACHP-UHFFFAOYSA-N 355.280 2.208 5 1 FEBF CN(C)CCOCCOC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086421 JJFXXOWBMKZDKQ-UHFFFAOYSA-N 365.411 2.453 5 1 FEBF COC(=O)[C@@H]1[C@@H](OC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]2CC[C@@H]1N2C 27760697 FFGDCGSTWMKRRN-UNQGMJICSA-N 363.370 2.168 5 1 FEBF CCO[C@@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@]1(C)O 103185906 KJUPSCHIFMZADG-GDBMZVCRSA-N 370.837 2.062 5 1 FEBF COc1nccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12 587116845 DLPKUASLXZNKBI-UHFFFAOYSA-N 356.264 2.447 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)nc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263379 MEWPBKKCNVPQCK-HRDYMLBCSA-N 367.203 2.381 5 1 FEBF C/C=C1/C[N+]2([O-])CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC 33830930 HRARARDBRKOTJJ-CEOWECDHSA-N 368.433 2.229 5 1 FEBF biogenic,in-vitro O=C(NCCN1CCCCC1)c1ccc2[nH]c(=O)c3cccnc3c2c1 169705872 IHPMJAXYCKDTBU-UHFFFAOYSA-N 350.422 2.292 5 1 FEBF O=C(O)COc1ccc([N+](=O)[O-])cc1C(=O)c1cnn(-c2ccccc2)c1 36127035 AZWQUUTUJJOAIZ-UHFFFAOYSA-N 367.317 2.475 5 1 FEBF O=C1CC=C(c2nc3cncc([N+](=O)[O-])c3[nH]2)NN1Cc1ccc(F)cc1 587164772 WPQSPLWACLNXHO-UHFFFAOYSA-N 368.328 2.283 5 1 FEBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C(=O)c2cccc3c2N(CCC3)C1=O 957892215 YTWOQVUNIASURY-HNNXBMFYSA-N 365.345 2.325 5 1 FEBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@@H](O)[C@@H](O)C(C)(C)O2 5138524 VMOMUKQKOCLINI-RTBURBONSA-N 355.390 2.266 5 1 FEBF biogenic CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587193650 CUTBNOVYERNEST-NSHDSACASA-N 364.406 2.384 5 1 FEBF COC(=O)[C@H]1[C@@H](OC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]2CC[C@H]1N2C 169337464 IVFPUHUDFWIBQR-APIJFGDWSA-N 363.370 2.168 5 1 FEBF COc1c(OC)c(OC)c2c(c1O)c(=O)c1ccc([N+](=O)[O-])cc1n2C 26649806 AVMCPUMGUMPDSZ-UHFFFAOYSA-N 360.322 2.331 5 1 FEBF CCOC(=O)[C@@H](C[C@H]1C(=O)C2CCN1CC2)C(=O)c1ccc([N+](=O)[O-])cc1 64254267 NIKBGARVJSHMFV-HOTGVXAUSA-N 374.393 2.010 5 1 FEBF NC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081424 YOQCWZGFTDJJOL-JTQLQIEISA-N 360.395 2.056 5 1 FEBF COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCC[N@+]4([O-])CCC[C@H](O2)[C@H]4[C@H]3[C@@H]1C 253995385 NBMMUYZDDIKEKL-BNBVYZKYSA-N 363.410 2.324 5 1 FEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587264284 FULDNDJZYVPGOC-VIFPVBQESA-N 361.289 2.467 5 1 FEBF CN(C(=O)c1c(O)c2c([N+](=O)[O-])cccc2n(C)c1=O)c1ccccc1 101209381 WMRIWKLWPOHJQJ-UHFFFAOYSA-N 353.334 2.429 5 1 FEBF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]13 1772571445 VPAIGLONQHAARG-BIJSTVTOSA-N 368.389 2.417 5 1 FEBF CC(=O)c1ccc(OCc2cn(CCn3c([N+](=O)[O-])cnc3C)nn2)cc1 40408325 SPYUNMVJBONGPO-UHFFFAOYSA-N 370.369 2.173 5 1 FEBF O=C(O)c1cccc(S(=O)(=O)N2CCc3cc([N+](=O)[O-])ccc3C2)c1 95556926 NTTNACNLPVGXMR-UHFFFAOYSA-N 362.363 2.040 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587264011 QCEFXPFXOVBJJE-HLTSFMKQSA-N 350.306 2.271 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@H](C[N+](=O)[O-])[C@@H]1CC(=O)O)O2 587389254 KCDHSSQMKYIALL-YCTNLIARSA-N 362.382 2.305 5 1 FEBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 27555964 DFAVEBLFVJRPBM-GFCCVEGCSA-N 364.379 2.259 5 1 FEBF COc1c(O)ccc2c(=O)c3c(O)cc4c(c3oc12)C(C)(C)[C@H](CO)O4 1857757652 DGPPUQGDNLFZCD-LBPRGKRZSA-N 358.346 2.397 5 1 FEBF O=C(NN1C(=O)CCS[C@H]1c1ccccc1[N+](=O)[O-])c1ccncc1 84631961 YLNHKGIMRJLYGQ-INIZCTEOSA-N 358.379 2.299 5 1 FEBF COCCNc1cc2c(cnc3cc(OCCOC)c(OC)cc32)c(N)n1 45260265 AZABWVYKNQPYTM-UHFFFAOYSA-N 372.425 2.457 5 1 FEBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c([N+](=O)[O-])cnn1C 587872407 XHRFAFQDCVTWRA-UHFFFAOYSA-N 359.317 2.418 5 1 FEBF O=C(NN1C(=O)CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 84631967 HXIDYKBVCYFFPG-INIZCTEOSA-N 358.379 2.299 5 1 FEBF Cc1oc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1[N+](=O)[O-] 587268652 HZHSCOOGMXHENI-UHFFFAOYSA-N 350.356 2.290 5 1 FEBF CCOC(=O)Cc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587261625 CUHBJGFNJXSXSL-UBHSHLNASA-N 373.409 2.329 5 1 FEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(C(N)=O)c2[nH]1 587117433 JGMJJWIVUANYFS-UHFFFAOYSA-N 368.275 2.142 5 1 FEBF C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@@H]1[C@]4(CO)C(=O)OC 95817137 FYFJKVNWEOWJJQ-PYYKTUSBSA-N 369.485 2.418 5 1 FEBF Cc1cc(C)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 587274305 ZDSLJSPWZVJDHT-HOTGVXAUSA-N 370.365 2.121 5 1 FEBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(CN3CCOCC3)cc2[nH]1 587268889 MUVGIMYXLHNLQR-UHFFFAOYSA-N 368.397 2.310 5 1 FEBF CN(C)C(=O)c1nc([N+](=O)[O-])cn1Cc1ccc(OC(F)(F)F)cc1 1772617205 ZFFCQNLWZCAFAM-UHFFFAOYSA-N 358.276 2.440 5 1 FEBF Cc1ccc(/C=C/c2ncc([N+](=O)[O-])n2CCn2cc(CO)nn2)cc1 1857767968 XUOVUOVIGUBADN-VOTSOKGWSA-N 354.370 2.054 5 1 FEBF CC[N+](C)(C)C1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27417863 FYRQFVZBGZHFDR-UHFFFAOYSA-O 374.436 2.459 5 1 FEBF CN1CCN(c2ccc([C@@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)C(=O)C1 95558706 YQLLONIEIFEJGE-INIZCTEOSA-N 370.365 2.332 5 1 FEBF Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652902 NLWDDHMGOXJNPZ-VIFPVBQESA-N 361.745 2.364 5 1 FEBF COC(OC)[C@H]1OC(C)(C)O[C@@H]1Cc1cnc2ccc([N+](=O)[O-])cc2n1 28817361 HUNSRFAKXNOGKR-CABCVRRESA-N 363.370 2.220 5 1 FEBF Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CSC(=S)N1CCC[C@H](C)C1 1772641522 PBDSGXQJJPUKNT-CMPLNLGQSA-N 358.489 2.211 5 1 FEBF CN1CCN(c2nn3c(=O)c4cc(F)ccc4nc3c3ccccc23)CC1 1772637064 TWZUEYURQPNTRU-UHFFFAOYSA-N 363.396 2.287 5 1 FEBF CSC1=N[C@H](c2cccc([N+](=O)[O-])c2SC)C2=C(COC2=O)N1 137606969 IZYKMGJBOIIZTP-LLVKDONJSA-N 351.409 2.491 5 1 FEBF O=C(NN1C(=O)CCS[C@H]1c1cccc([N+](=O)[O-])c1)c1ccncc1 84631965 WCCITLUSCHHEBI-INIZCTEOSA-N 358.379 2.299 5 1 FEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587265824 XMOXCEYLMQEMCI-QMMMGPOBSA-N 354.326 2.001 5 1 FEBF Cc1onc(-c2nc3c(N)nccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080356 ULMYHLVCSJQZNP-UHFFFAOYSA-N 374.748 2.310 5 1 FEBF CC[C@@](O)(CCO)[C@@H]1Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1 2356778254 PXKGYRVTIKTSSM-MGPUTAFESA-N 372.373 2.184 5 1 FEBF COC(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1OC 587274187 NWXDNUAYFKHFDN-SECBINFHSA-N 359.342 2.267 5 1 FEBF C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@H]1[C@@]4(CO)C(=O)OC 253664773 FYFJKVNWEOWJJQ-CPPYBLQBSA-N 369.485 2.418 5 1 FEBF C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])nc2O1 653743750 JWAVPBBHHCDFAJ-LBPRGKRZSA-N 360.248 2.315 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)nc3[nH]2)[C@H]1C[N+](=O)[O-] 587263381 MEWPBKKCNVPQCK-VGMNWLOBSA-N 367.203 2.381 5 1 FEBF C/C=C1/C[N+]2([O-])CC[C@@]34C(=O)c5ccccc5N3[C@H](C(=O)OC)[C@@H]1C[C@H]42 15217163 IARXKEXPNHDQQC-LHUMJQBBSA-N 354.406 2.036 5 1 FEBF CC[C@@H]1C(=O)N2C[C@@H]1CC(OC)=C2C(=O)OCc1ccc([N+](=O)[O-])cc1 26508440 YPAJSJDLDRWFFZ-JSGCOSHPSA-N 360.366 2.384 5 1 FEBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnccc2[nH]1 587266781 ORUYEKNFEGNMCA-CLAHSXSESA-N 358.314 2.308 5 1 FEBF COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCC[N@@+]4([O-])CCC[C@H](O2)[C@H]4[C@H]3[C@@H]1C 253995387 NBMMUYZDDIKEKL-GSXWRYNMSA-N 363.410 2.324 5 1 FEBF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(F)cc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587426608 DJHYPPGDJCUYRA-VOJFVSQTSA-N 370.292 2.338 5 1 FEBF CCS(=O)(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587274920 WQSLCHSCIDCBRW-JTQLQIEISA-N 363.399 2.265 5 1 FEBF O=C(O)C[C@H]1OCC=C2C[N@@+]3([O-])CC[C@]45c6ccccc6N[C@@H]4[C@@H]1[C@H]2C[C@H]53 299813687 LKMZZBZFIQDLES-AOEZPBBBSA-N 368.433 2.255 5 1 FEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587264228 KMNMSIUZIQSODP-NSHDSACASA-N 367.365 2.304 5 1 FEBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 13840053 ZTQFXWYMGRTPDR-JTQLQIEISA-N 370.408 2.320 5 1 FEBF CCCC[N@@+]1(C)[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 253989168 YBCNXCRZPWQOBR-NBXYSOCGSA-N 360.474 2.233 5 1 FEBF C[S@](=O)COC(=O)[C@H](O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 103224985 RFZTVCJNFBZSFS-HTUJAOEKSA-N 366.503 2.393 5 1 FEBF CCCCc1c(CC(=O)N[C@@H]2CCOC2=O)[nH]c2cccc([N+](=O)[O-])c12 587646462 ASUDKWORMSPSIW-CYBMUJFWSA-N 359.382 2.393 5 1 FEBF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 962898886 MQDUTUCPTIIHQP-LSDHHAIUSA-N 356.313 2.299 5 1 FEBF CCOC(=O)[C@@H]1C(=N)OC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169730056 SDNSASVMMJQGCT-KBPBESRZSA-N 362.338 2.312 5 1 FEBF CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1cccc([N+](=O)[O-])c1 621471732 QXJZFXFCQCOXAS-SAIXKJTDSA-N 358.310 2.450 5 1 FEBF O=[N+]([O-])c1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1[N+](=O)[O-] 586924014 DYIWVMPWWPMDOY-UHFFFAOYSA-N 354.344 2.237 5 1 FEBF CCCc1c2oc(C(=O)O)cc(=O)c2c(OC)c2c(=O)cc(C(=O)O)oc12 169344945 WDYLFDVNBILMCA-UHFFFAOYSA-N 374.301 2.257 5 1 FEBF CCS(=O)(=O)Nc1cccc(-c2cc([N+](=O)[O-])c3nnc(C)n3c2)c1 1857540528 QFYHUJVNQSIZAB-UHFFFAOYSA-N 361.383 2.375 5 1 FEBF O=c1c2nc3ccccc3nc2c2ccccc2n1CCN1CCOCC1 1772634313 MKMAWBBWKZGDAW-UHFFFAOYSA-N 360.417 2.430 5 1 FEBF CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccc([N+](=O)[O-])cc1 35324310 DSMUWKKTJBCHNY-UHFFFAOYSA-N 367.339 2.454 5 1 FEBF COc1ccc(CNC(=O)[C@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)cc1 8577611 RNLMRCNBOGLHPK-QGZVFWFLSA-N 355.350 2.413 5 3 FEBF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cncc([N+](=O)[O-])c2[nH]1 587194405 RXYBXGHCDCQZMN-SNVBAGLBSA-N 364.406 2.384 5 1 FEBF COC(=O)[C@H]1C2=Nc3ccccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 169723796 DEJVHOBZCXTFLG-LHSYQHKTSA-N 354.406 2.125 5 1 FEBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccnc2[nH]1 587266064 IXGHLLDTZMSWJZ-OQPBUACISA-N 358.314 2.308 5 1 FEBF CCOc1n[nH]c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1Br 586980231 SQBBFUYSIFCSSP-UHFFFAOYSA-N 353.136 2.417 5 1 FEBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ncc[nH]c-3n2)CC1 587269451 CEEMRRUNXTVGNZ-UHFFFAOYSA-N 352.354 2.233 5 1 FEBF N[C@@H](CCc1nc2ccnc(Cl)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270942 USGBLXBUKLZMDJ-NSHDSACASA-N 374.788 2.418 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@@H]1C[N+](=O)[O-] 587262234 GPCNKCTYXYNDOE-ADEWGFFLSA-N 356.382 2.108 5 1 FEBF COc1cc(OC[C@@H](O)COC(C)=O)cc2c1c(=O)c1ccccc1n2C 45299192 BYIPOLARCDPCOI-ZDUSSCGKSA-N 371.389 2.003 5 1 FEBF COCCOc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] 587264733 IVJSHNHOXVEJMT-UHFFFAOYSA-N 359.298 2.467 5 1 FEBF CCS(=O)(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587274921 WQSLCHSCIDCBRW-SNVBAGLBSA-N 363.399 2.265 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCCc1ccc(OC(F)(F)F)cc1)C2 40860225 PKNYKECSJOQQDI-NSHDSACASA-N 372.303 2.283 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(N3CCCCC3)nc1)C2 653793661 KBIGSCLMNHHDMA-AWEZNQCLSA-N 359.386 2.154 5 1 FEBF O=[N+]([O-])c1cnc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 587092307 UXKFQCIHCWLMJU-UHFFFAOYSA-N 357.208 2.200 5 1 FEBF C/C=C1/C[N+]2([O-])CC[C@@H]1[C@](CO)(C(=O)OC)c1[nH]c3ccccc3c1C2 14827327 CWLUMLLPZBYHMO-QJWCMHSQSA-N 356.422 2.365 5 1 FEBF O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 1857542374 SPFLTRPMPWDMHB-UHFFFAOYSA-N 371.330 2.288 5 1 FEBF O=c1c2ccccc2nnn1Cc1ccc[n+](Cc2ccccc2[N+](=O)[O-])c1 1857552480 CBUXCNMZBKLESE-UHFFFAOYSA-N 374.380 2.084 5 1 FEBF O=[N+]([O-])c1ccc(-c2nnc3n2N[C@H](c2ccc([N+](=O)[O-])o2)S3)o1 72178181 HWWFQQWKJBDMBD-JTQLQIEISA-N 350.272 2.296 5 1 FEBF CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)cc1[N+](=O)[O-] 195460006 TWNYYNOOHDOFDF-IQASAZKTSA-N 368.345 2.078 5 1 FEBF COc1ccc([C@]2(C)OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc1 1857535754 GFLJNSFBOBLHBP-KRWDZBQOSA-N 373.369 2.173 5 1 FEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1 587268463 YYGVLYIHGOPJPA-UHFFFAOYSA-N 363.399 2.243 5 1 FEBF O=C(NN1C(=O)CCS[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccncc1 84631963 WCCITLUSCHHEBI-MRXNPFEDSA-N 358.379 2.299 5 1 FEBF Cc1cc2[nH]c(-c3cc(S(N)(=O)=O)ccc3F)nc2cc1[N+](=O)[O-] 587141795 WXIUKYGJXNMQIP-UHFFFAOYSA-N 350.331 2.233 5 1 FEBF COc1ccccc1N1CCN(C(=O)C(=O)c2cccc([N+](=O)[O-])c2)CC1 95603096 RETSLTYIUHLVST-UHFFFAOYSA-N 369.377 2.135 5 3 FEBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ncc(-c3ccc(F)nc3)cn1)CC2 1772653584 FJEZESZLWSJGHW-GFCCVEGCSA-N 372.316 2.013 5 1 FEBF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ncc(-c3ccc(F)nc3)cn1)CC2 1772653587 FJEZESZLWSJGHW-LBPRGKRZSA-N 372.316 2.013 5 1 FEBF CCN1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@]12OC(=O)c1ccccc12 34867558 FIYGHYXPEOQWJG-GOSISDBHSA-N 367.317 2.407 5 1 FEBF COC(=O)[C@@H]1[C@@H](OC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]2CC[C@H]1N2C 100655126 FFGDCGSTWMKRRN-RZFFKMDDSA-N 363.370 2.168 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(F)cc3)nc1)C2 66259386 LVBWHPRCMNYKSH-AWEZNQCLSA-N 371.328 2.365 5 1 FEBF COC(=O)CN(C)c1nc(Nc2ccc(Cl)cc2)ncc1[N+](=O)[O-] 653901871 VSVGBSGFTCNBEX-UHFFFAOYSA-N 351.750 2.391 5 1 FEBF COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085553 SIROIJYZRNOSKA-ZDUSSCGKSA-N 361.379 2.496 5 1 FEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587653150 QSRMKYYZDZTRBG-VIFPVBQESA-N 361.745 2.131 5 1 FEBF Cc1ccc(N2CCN(C(=O)C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 95599357 UAMXNMUOOZPWCC-UHFFFAOYSA-N 353.378 2.435 5 3 FEBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 587158852 KLABOPVEXMALIY-UHFFFAOYSA-N 367.314 2.436 5 1 FEBF Cc1cc([N+](=O)[O-])nn1CCC(=O)n1ncc2ccc(Cl)cc2c1=O 587652780 JRXQTJPKFIFURM-UHFFFAOYSA-N 361.745 2.194 5 1 FEBF O=C(O)C[C@@H]1OCC=C2C[N+]3([O-])CC[C@@]45c6ccccc6N[C@H]4[C@@H]1[C@@H]2C[C@@H]53 195514912 LKMZZBZFIQDLES-WPIYAOOHSA-N 368.433 2.255 5 1 FEBF O=C(O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587270296 UUKMEXCLHOIQGD-UHFFFAOYSA-N 350.294 2.417 5 1 FEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2nc(Cl)c[nH]c-2n1 587117904 MGCSVNDWMQXJCT-UHFFFAOYSA-N 361.671 2.438 5 1 FEBF COC(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n1 587265500 VEBCOWZDMCQJFH-UHFFFAOYSA-N 357.282 2.152 5 1 FEBF N=c1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc(-n3cnnn3)cc2)[nH]1 1857566464 XPOZIPAUYLLVPI-UHFFFAOYSA-N 360.337 2.107 5 1 FEBF COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)C[C@@H]([C@](C)(O)CO)O4 14682391 SBEAEELWLVRGRB-MGPUTAFESA-N 372.373 2.010 5 1 FEBF biogenic NS(=O)(=O)c1ccc(Nc2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 3817815 RKKHUCNMQPWUKF-UHFFFAOYSA-N 359.367 2.376 5 1 FEBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cnncc3[nH]2)CC1 587269921 GIMPXSHWTMBPBM-UHFFFAOYSA-N 352.354 2.281 5 1 FEBF CCOC(=O)[C@H](C)[S@](=O)c1nnc(-c2ccc([N+](=O)[O-])s2)s1 28570486 ZNXIFPOMQDHANC-UHNXPUEWSA-N 361.426 2.234 5 1 FEBF NCCCn1c(C(=O)c2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc2[n+]1[O-] 36383493 XOAGSJZNBQMDGM-UHFFFAOYSA-N 374.784 2.416 5 3 FEBF O=[N+]([O-])c1cncc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587127238 QIUQZGSCTCMSCJ-UHFFFAOYSA-N 373.272 2.222 5 1 FEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587267891 TWJWUTCMRGSKCL-ZDUSSCGKSA-N 370.413 2.418 5 1 FEBF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586946531 ZRQDGQCSJCGFER-UHFFFAOYSA-N 368.346 2.228 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cncc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587264861 UQIQKUHMFCMNJS-HRDYMLBCSA-N 367.203 2.381 5 1 FEBF Cc1ccc2nc3c4ccccc4c(N4CCN(C)CC4)nn3c(=O)c2c1 1772571763 CICVCMXANRJYED-UHFFFAOYSA-N 359.433 2.456 5 1 FEBF Cc1ccccc1[C@@H]1NC(=S)Nc2c1c(=O)nc1sc([N+](=O)[O-])cn21 169729546 IWRBCOGBZYKYFL-NSHDSACASA-N 373.419 2.362 5 1 FEBF O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)n1nnc2ccccc21 95579032 SFFFBDHJCGMVAS-UHFFFAOYSA-N 352.354 2.130 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@H]1CC(=O)O)O2 587389249 KCDHSSQMKYIALL-PKGFUXCVSA-N 362.382 2.305 5 1 FEBF CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1[N+](=O)[O-] 13153747 TWNYYNOOHDOFDF-FOHUKVNHSA-N 368.345 2.078 5 1 FEBF O=C(O)c1cccc2c(=O)c3ccccc3n(C[C@@H](O)CN3CCCC3)c12 43016438 FVQFZPLQUXVAKS-AWEZNQCLSA-N 366.417 2.310 5 1 FEBF CCS(=O)(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587274414 VLFGHKZDLSKGBB-UHFFFAOYSA-N 363.399 2.094 5 1 FEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587274702 SGMZIMJEWIJBPX-CYBMUJFWSA-N 369.429 2.223 5 1 FEBF O=C(NCCCCn1cnc([N+](=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 84711375 BFKCQUGIPGJBTG-UHFFFAOYSA-N 373.291 2.295 5 1 FEBF NC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081425 YOQCWZGFTDJJOL-SNVBAGLBSA-N 360.395 2.056 5 1 FEBF O=C(O)[C@H]1NCCN(Cc2ccc3c(ccc4ccccc43)c2)[C@H]1C(=O)O 22933604 HMWHYVPVLJQNRD-RBUKOAKNSA-N 364.401 2.305 5 1 FEBF CC[C@@H]1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H](O)[C@H]1C 40917963 KRERBZWVTNUEMD-PKWAYOAASA-N 352.822 2.293 5 1 FEBF Nc1cc(C(=O)O)ccc1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587250395 SUCCKXCHJBQSIS-UHFFFAOYSA-N 357.282 2.251 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cncc(F)c3)cn1)C2 66058837 ZLSRAYIKNBMNLM-HNNXBMFYSA-N 371.328 2.365 5 1 FEBF O=C1COCCN1c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])o3)=NO2)cc1 95558256 IDGWOWROCIIXQH-HNNXBMFYSA-N 357.322 2.417 5 1 FEBF COc1c(OC)c(OC)c2c(c1O)c(=O)c1ccc(N(C)C)cc1n2C 96900947 FVMGIPCNOOWGTF-UHFFFAOYSA-N 358.394 2.489 5 1 FEBF O=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ncc([N+](=O)[O-])s1 299839365 YCRGHYGRCLDZKS-UHFFFAOYSA-N 354.731 2.251 5 1 FEBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 587273278 JNVYMBHFZBZLLX-UHFFFAOYSA-N 370.413 2.133 5 1 FEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587264783 JUUHJGZRUKMUAI-JTQLQIEISA-N 360.301 2.257 5 1 FEBF Cc1nn(Cc2ccccc2-c2nc3c(N)ncnc3[nH]2)c(C)c1[N+](=O)[O-] 587268281 ZUSPBUKNWLENAA-UHFFFAOYSA-N 364.369 2.372 5 1 FEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587266800 ATVUTSQTCBXCLT-SSDOTTSWSA-N 361.274 2.402 5 1 FEBF CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C23CC3)cc1[N+](=O)[O-] 12380030 KJIHZFWTKWJZAM-CRJCFHLZSA-N 368.345 2.222 5 1 FEBF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@@H](O)c1ccccc1[N+](=O)[O-] 66252833 UOEBVGPUTWXKDH-IGNZVWTISA-N 371.345 2.389 5 1 FEBF COC(=O)CC[C@H](N)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587258377 JEVBJBNLFWUJSE-ZETCQYMHSA-N 357.164 2.187 5 1 FEBF CCC(=O)Nc1ccc(OC[C@H](O)[C@@H](C)NC(C)(C)C)c([N+](=O)[O-])c1 28768318 SPSPTSFMQXMGEZ-RISCZKNCSA-N 353.419 2.460 5 1 FEBF COc1ccc2c(c1)c(O)c1c3c(ncn32)CC[C@@H]1NCC[N+](C)(C)O 95920599 VTPADFJSUDVABF-AWEZNQCLSA-O 357.434 2.244 5 1 FEBF in-vitro N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587269522 DAJUBUKMUDVNGR-VIFPVBQESA-N 352.276 2.474 5 1 FEBF CCOC(=O)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 4898543 WPKPQGLQJCXHCR-HZPDHXFCSA-N 368.345 2.431 5 1 FEBF Nc1ccc2c3c(cccc13)C(=O)N(CCCn1ccnc1[N+](=O)[O-])C2=O 26382130 AVAZVVFIIDGHNA-UHFFFAOYSA-N 365.349 2.213 5 1 FEBF COc1cc2c(cc1OC(C)=O)C(=O)O[C@@H]1CC=C3CC[N+](C)([O-])[C@H]3[C@H]21 198639500 SNZCPRRVMSUBRT-VBKIDCGUSA-N 359.378 2.290 5 1 FEBF C=CC1=CCc2ccccc2[C@H](C[N+](=O)[O-])C(C(=O)OC)(C(=O)OC)C1 18167900 LQJWLPILMCPRCM-INIZCTEOSA-N 359.378 2.438 5 1 FEBF CCOC(=O)[C@H]1C(=N)OC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169730057 SDNSASVMMJQGCT-UONOGXRCSA-N 362.338 2.312 5 1 FEBF CS(=O)(=O)c1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 586925606 HSYBEOHHWSWLKY-UHFFFAOYSA-N 362.323 2.450 5 1 FEBF COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2([O-])C[C@@H](C(C)=O)[C@@H]1C[C@@H]32 66112298 DHECBQUIZKPOOU-SRQGGJSVSA-N 354.406 2.103 5 1 FEBF CCn1cc(Br)c(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)n1 586999998 ISVJIMFXJOJCHC-UHFFFAOYSA-N 351.164 2.436 5 1 FEBF Nc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cn1 66251788 OEYDRULCQMMHFL-HNNXBMFYSA-N 367.365 2.413 5 1 FEBF Cn1c2ccccc2c2nn(CCNCCO)c3ccc([N+](=O)[O-])c1c23 27104659 MEWNBRCMLZAUAU-UHFFFAOYSA-N 353.382 2.171 5 1 FEBF O=C1CSC[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)N1 587043888 ORPRHZIPNHDBKE-SSDOTTSWSA-N 357.189 2.138 5 1 FEBF CCCC[N@@+]1(C)[C@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 253989175 YBCNXCRZPWQOBR-UGLWPLIBSA-N 360.474 2.233 5 1 FEBF CNS(=O)(=O)c1ccc(CCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586946771 PFESPOVZHKLXFV-UHFFFAOYSA-N 360.395 2.164 5 1 FEBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 13863119 CVXKLRNQSFWADW-LBPRGKRZSA-N 364.379 2.259 5 1 FEBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 27558148 ZTQFXWYMGRTPDR-SNVBAGLBSA-N 370.408 2.320 5 1 FEBF O=C1NC(NCc2ccccc2)=N/C1=C/c1c[nH]c2ncc([N+](=O)[O-])cc12 40973000 BOQKOBIFVPPFPW-GIDUJCDVSA-N 362.349 2.088 5 1 FEBF COCCNc1ncc(C(=O)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149064 NXYJIGQNKPIIPE-UHFFFAOYSA-N 371.397 2.346 5 1 FEBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(O)c2[nH]1 587267392 YFQQWVBJJBCOCH-KRTXAFLBSA-N 374.313 2.014 5 1 FEBF CCOc1n[nH]c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1Br 586979304 AQDDRNAYVCYMLX-UHFFFAOYSA-N 353.136 2.417 5 1 FEBF Nc1c([N+](=O)[O-])nc2n1C[C@H](OCc1ccc(OC(F)(F)F)cc1)CO2 102778226 IENRMRIYRUXPPR-JTQLQIEISA-N 374.275 2.250 5 1 FEBF CCCCc1c(CC(=O)N[C@@H]2CCOC2=O)[nH]c2cc([N+](=O)[O-])ccc12 587646940 NJOPIYIUAAREPV-CQSZACIVSA-N 359.382 2.393 5 1 FEBF CS(=O)(=O)c1cc(-c2nc3ccnc(N)c3[nH]2)cc([N+](=O)[O-])c1Cl 586927602 UPYAMYUHSOGVOW-UHFFFAOYSA-N 367.774 2.172 5 1 FEBF CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(CC)c([N+](=O)[O-])c1)n2C 12485088 LXDGAXCFRDLYKR-UHFFFAOYSA-N 371.397 2.361 5 3 FEBF COC(=O)c1cc2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2cc1OC 587272861 BBKDIUWDOXEFOD-VIFPVBQESA-N 359.342 2.267 5 1 FEBF CS(=O)(=O)N1CCC(C(=O)c2coc3cc([N+](=O)[O-])ccc23)CC1 587280218 OPEYWKODNHSBHS-UHFFFAOYSA-N 352.368 2.195 5 1 FEBF CC(C)(C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc([N+](=O)[O-])cn1 587652441 DTBGTEKFZSDNMO-UHFFFAOYSA-N 361.745 2.230 5 1 FEBF COC(=O)c1cc2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2cc1OC 587273624 MUIJGZCGWBRBQV-UHFFFAOYSA-N 359.342 2.096 5 1 FEBF COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)C[N+](=O)[O-] 169321268 RKTHRRBJFPHWFZ-MSOLQXFVSA-N 370.405 2.023 5 1 FEBF CC(C)(C)c1nnc2sc(COc3ccccc3[N+](=O)[O-])nn2c1=O 299826843 FECSIPGQPWAOBW-UHFFFAOYSA-N 361.383 2.331 5 1 FEBF CCCC[C@H](Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-])[C@@H](C)O 27194470 HJFBVCZUTHYPEP-ZJUUUORDSA-N 355.395 2.492 5 1 FEBF O=C(N[C@@H]1CCCCNC1=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086283 FSDORRKWWAAKOC-LLVKDONJSA-N 360.395 2.117 5 1 FEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587273668 JXOMNEMRTVTYHU-ZDUSSCGKSA-N 370.413 2.304 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)ncc3[nH]2)[C@H]1C[N+](=O)[O-] 587265984 YQGZKUHLYJQXEL-HLTSFMKQSA-N 367.203 2.381 5 1 FEBF COC1=C(C)C(=O)O/C1=C1/O[C@@]23CCC[N+]4([O-])CCC[C@@H](O2)[C@H]4[C@H]3[C@@H]1C 96086400 NBMMUYZDDIKEKL-VWJNOCJASA-N 363.410 2.324 5 1 FEBF CCOC(=O)Nc1cc(NN(C)C(=N)c2ccccc2)c([N+](=O)[O-])c(N)n1 27193283 ZQFFBEARBNSDPS-UHFFFAOYSA-N 373.373 2.425 5 1 FEBF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(F)c([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587429290 UALLMNXZKQAWLM-YPMLDQLKSA-N 370.292 2.338 5 1 FEBF N[C@@H](CCc1nc2ccc(Cl)nc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271058 YSDKMOUBHBZXJT-NSHDSACASA-N 374.788 2.418 5 1 FEBF O=C1C[C@H]2OCC=C3C[N+]4([O-])CC[C@@]56c7ccccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]64 169692024 ADTDBAKUQAKBGZ-FOUJRIHESA-N 350.418 2.105 5 1 FEBF COc1ccc(-n2nnnc2OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 169331786 RZIZGRPHUSZSML-UHFFFAOYSA-N 372.297 2.066 5 1 FEBF O=C(NCCO)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 299827885 OSFMTCRLNPGIAY-UHFFFAOYSA-N 360.351 2.004 5 1 FEBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccnc2[nH]1 587266060 IXGHLLDTZMSWJZ-AMIZOPFISA-N 358.314 2.308 5 1 FEBF COc1ccc(-n2nnnc2SCc2cc(N)cc([N+](=O)[O-])c2)cc1 169332056 FQTHXGWPSZPYLI-UHFFFAOYSA-N 358.383 2.454 5 1 FEBF CCC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@H]5O 100186241 UAUHEPXILIZYCU-GSPNQRMKSA-N 369.529 2.479 5 1 FEBF in-man Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 586940986 LZWAGGIQRGHJRT-VOTSOKGWSA-N 373.394 2.265 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(/C(=C/N(C)C)n1cc([N+](=O)[O-])cn1)O2 587388653 FHDYPOOHNNOADS-CFINBHSISA-N 371.397 2.466 5 1 FEBF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O 587432590 WYJRYRDBTGECHI-VOJFVSQTSA-N 352.302 2.198 5 1 FEBF CC[C@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(F)c1 28130772 QNUOTEFVFNJQJR-HZMBPMFUSA-N 367.381 2.089 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ncc(-c3ccc(F)cc3)cn1)C2 72122758 XRQZLWJZJPCXTO-ZDUSSCGKSA-N 357.301 2.227 5 1 FEBF COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2(C)C[C@@H]([C@H](C)O)[C@@H]1C[C@@H]32 85663286 MWWSQCMVKUHOFF-DNYMYSELSA-O 355.458 2.026 5 1 FEBF O=[N+]([O-])c1ccn(CCCc2nc3c(Br)ccnc3[nH]2)n1 587274365 KACCQFMYYKXCKA-UHFFFAOYSA-N 351.164 2.458 5 1 FEBF O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1[C@H]1CN2CCC1CC2 13899815 POHXLHOFWSHSBM-INIZCTEOSA-N 351.362 2.438 5 1 FEBF O=C(CCN1CCOCC1)Nc1ccc2sc3ccccc3c(=O)c2n1 27993380 RYFQGVLLMZWPCP-UHFFFAOYSA-N 369.446 2.471 5 1 FEBF CCOC(=O)Cc1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587272980 GHGKYKRLGVJOCG-UHFFFAOYSA-N 357.370 2.406 5 1 FEBF O=[N+]([O-])c1ccc(Cn2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1772607680 CXAFQIOIXDYAEO-UHFFFAOYSA-N 371.269 2.113 5 1 FEBF O=c1c2ccccc2oc2cc(OC[C@@H](O)CSCCO)cc(O)c12 71282357 YXSNIAXGRSSZJI-LLVKDONJSA-N 362.403 2.117 5 1 FEBF CN(C)CCNC(=O)c1cccc2nc3ccc4c(O)ccnc4c3nc12 27767008 XISSPNGMUVZWMT-UHFFFAOYSA-N 361.405 2.328 5 1 FEBF CCN(C)C(=O)c1cnc(NCCOC)nc1-c1cccc([N+](=O)[O-])c1 82136194 XPHIQNCHYFKGRM-UHFFFAOYSA-N 359.386 2.202 5 1 FEBF CS(=O)(=O)Nc1cccc(-n2cc(-c3cccc([N+](=O)[O-])c3)[nH]c2=O)c1 299866974 XDCRYHZNXPVAOW-UHFFFAOYSA-N 374.378 2.112 5 1 FEBF Cn1nc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(F)c1O 587156777 YURJTFMPKIJHBN-UHFFFAOYSA-N 356.111 2.479 5 1 FEBF COc1c(OC)c(OC)c2c(=O)c3c(O)cc(O)c(OC)c3oc2c1O 103256214 MWCLAZNKXRKMTE-UHFFFAOYSA-N 364.306 2.097 5 1 FEBF CCCc1c(OC)c2c(=O)cc(C(=O)O)oc2c2c(=O)cc(C(=O)O)oc12 169344933 HPWCVKKSSPIBMO-UHFFFAOYSA-N 374.301 2.257 5 1 FEBF O=[N+]([O-])c1cnc(/C=C/c2ccc(Cl)cc2)n1CCn1cc(CO)nn1 1857650703 CYPBGMOTOUVSHU-ZZXKWVIFSA-N 374.788 2.399 5 1 FEBF O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1[C@@H]1CN2CCC1CC2 3782125 POHXLHOFWSHSBM-MRXNPFEDSA-N 351.362 2.438 5 1 FEBF COc1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1[N+](=O)[O-] 48721191 UKBUWSOMPOLLEX-UHFFFAOYSA-N 364.379 2.157 5 1 FEBF COc1cc([C@]2(C)NCCc3nc4ccccn4c32)cc([N+](=O)[O-])c1O 962986335 SPBBTRMLKJTDFE-SFHVURJKSA-N 354.366 2.366 5 1 FEBF O=C(N[C@@H](CO)c1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 26390210 KFHAOBIXBQXILE-INIZCTEOSA-N 353.334 2.109 5 1 FEBF O=C(Cn1cc(Cl)c([N+](=O)[O-])n1)n1ncc2ccc(Cl)cc2c1=O 587651256 GBXWQQSAYQKHMJ-UHFFFAOYSA-N 368.136 2.148 5 1 FEBF CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1[N+](=O)[O-] 13153712 YLWSYUIFDBSVLQ-NUMJRFHMSA-N 356.334 2.222 5 1 FEBF CN(C)C(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 587266423 XCVCGUHAPUXDMR-LBPRGKRZSA-N 369.381 2.121 5 1 FEBF O=C1N=c2ccccc2=C1C=C1C=CN(Cc2ccc([N+](=O)[O-])cc2)C=C1 377466632 KXHVAOXMVQBJDQ-UHFFFAOYSA-N 357.369 2.375 5 1 FEBF COc1cc2c3c(c1)O[C@@](Cc1ccccc1[N+](=O)[O-])(C(=O)O)[C@@H](C2)C3=O 587432701 KWJCFQILGAWGRX-ORAYPTAESA-N 369.329 2.417 5 1 FEBF O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n(C2CCCCC2)c1=O 13759225 CTSBLEQRCSMECP-UHFFFAOYSA-N 355.354 2.289 5 1 FEBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccs1 26378105 XOPIHCPBUCTPGS-SNVBAGLBSA-N 370.408 2.320 5 1 FEBF Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 653718486 IJTKJOUBRAVYTB-UHFFFAOYSA-N 363.395 2.129 5 1 FEBF CC1(C)OC(=O)C(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)=C1N 587254797 ZZSIHAPGFITDJM-UHFFFAOYSA-N 367.159 2.239 5 1 FEBF COC(=O)CC[C@H](N)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587258363 IULDXXQTVQKMAJ-ZETCQYMHSA-N 357.164 2.187 5 1 FEBF O=C1CSC[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)N1 587043892 ORPRHZIPNHDBKE-ZETCQYMHSA-N 357.189 2.138 5 1 FEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3c(cc2[nH]1)OCCO3 587265551 WBXBHTXKGGGVOB-JTQLQIEISA-N 356.338 2.190 5 1 FEBF Nc1ccccc1NC(=O)CCCNCC(=O)Nc1ccccc1[N+](=O)[O-] 84670016 YFJIBEROUJNHFA-UHFFFAOYSA-N 371.397 2.124 5 1 FEBF Cc1cc2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2cc1[N+](=O)[O-] 586930082 ORVAEDHMSSQTEK-UHFFFAOYSA-N 360.395 2.212 5 1 FEBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C(=O)c2cccc3c2N(CCC3)C1=O 957892216 YTWOQVUNIASURY-OAHLLOKOSA-N 365.345 2.325 5 1 FEBF COc1cc(O)c2c(=O)c3cccc(O)c3oc2c1C[C@@H](O)C(C)(C)O 14819741 JTPXGSADBHDLSL-CQSZACIVSA-N 360.362 2.040 5 1 FEBF biogenic COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCNCCO)c2c1 27106906 XSKQRRQLPHHSGK-UHFFFAOYSA-N 369.381 2.170 5 1 FEBF CCCC[N@+]1(C)[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 253989171 YBCNXCRZPWQOBR-SQOOSTIKSA-N 360.474 2.233 5 1 FEBF Cc1nc([N+](=O)[O-])cn1CCCNS(=O)(=O)c1ccc(Cl)s1 299841186 YLJOSLNZNCAKFI-UHFFFAOYSA-N 364.836 2.183 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@@H]1C[N+](=O)[O-] 587262237 GPCNKCTYXYNDOE-YUSALJHKSA-N 356.382 2.108 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccnc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263429 MOHMIETUCZKXHL-VGMNWLOBSA-N 367.203 2.381 5 1 FEBF Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(c2cccc[n+]2[O-])CC1 35075423 KIGOSDKCDOQDSJ-UHFFFAOYSA-N 370.409 2.355 5 1 FEBF CSC1=N[C@@H](c2cccc([N+](=O)[O-])c2SC)C2=C(COC2=O)N1 137607058 IZYKMGJBOIIZTP-NSHDSACASA-N 351.409 2.491 5 1 FEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2nc(Br)c[nH]c-2n1 587270527 LVDRQEYDYOGIMU-VIFPVBQESA-N 363.175 2.218 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c([N+](=O)[O-])cc(F)cc21 587384977 QOKALLBASNCCGI-KRWDZBQOSA-N 357.297 2.437 5 1 FEBF O=C(O)CSCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 84617348 XAJMBIRTGNCXST-UHFFFAOYSA-N 353.381 2.475 5 1 FEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 587267599 BBWCGGAODYKMHE-UHFFFAOYSA-N 365.371 2.086 5 1 FEBF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 586929424 BWHIYNHWPMCOMS-UHFFFAOYSA-N 362.367 2.006 5 1 FEBF CCN(CC)CCNc1ccc2nnn3c4ccc(O)cc4c(=O)c1c23 5732930 YEYRTYJQKCNBIE-UHFFFAOYSA-N 351.410 2.293 5 1 FEBF Cn1nc([N+](=O)[O-])cc1-c1nc2cccc(I)c2[nH]1 587275035 QPYVQKHAQJBNBH-UHFFFAOYSA-N 369.122 2.476 5 1 FEBF COC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2n1 587262070 NISAONJEDINDJN-UHFFFAOYSA-N 358.310 2.240 5 1 FEBF COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cccc([N+](=O)[O-])c12 587647979 WURICCBZPUDZNQ-UHFFFAOYSA-N 356.338 2.449 5 1 FEBF O=c1oc2cc(OC[C@H](O)COc3ccccc3)ccc2c(O)c1[N+](=O)[O-] 169337584 YNOSNBUCQXYWOC-LLVKDONJSA-N 373.317 2.226 5 1 FEBF COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCC[N+]4([O-])CCC[C@H](O2)[C@H]4[C@H]3[C@@H]1C 102778336 NBMMUYZDDIKEKL-KMUTXKEPSA-N 363.410 2.324 5 1 FEBF NC(=O)c1cc(N2CCC(c3nc4cccnc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262950 JNYMYQTVWTYUCR-UHFFFAOYSA-N 366.381 2.349 5 1 FEBF Cc1c(O)ccc2c1[C@]1(C=COc3ccc([N+](=O)[O-])cc31)N[C@H](C(=O)O)C2 963520845 AFAHVMDSGIBPQC-IFXJQAMLSA-N 368.345 2.357 5 1 FEBF N=C(N)NCCC[C@H](NCc1c2ccccc2nc2ccccc12)C(=O)O 5594117 FVMRGTYRGOCMEN-SFHVURJKSA-N 365.437 2.194 5 1 FEBF COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cc([N+](=O)[O-])ccc12 587647760 OMQRUMXNDSTXEB-UHFFFAOYSA-N 356.338 2.449 5 1 FEBF NS(=O)(=O)c1c[nH]c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 586930456 UBYXKACCGCERGV-UHFFFAOYSA-N 364.390 2.302 5 1 FEBF C[S@](=O)COC(=O)[C@@H](O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 103224982 RFZTVCJNFBZSFS-OUSHYRLYSA-N 366.503 2.393 5 1 FEBF COC(=O)c1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cn1 587264226 KLBJUEJGZGFYQS-UHFFFAOYSA-N 357.282 2.152 5 1 FEBF CCS(=O)(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587267799 RCXBTUNVANMDAO-JTQLQIEISA-N 363.399 2.379 5 1 FEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(Cl)nc3[nH]2)cc1 586919734 FKFJJFJIXUFRDY-UHFFFAOYSA-N 352.759 2.493 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(F)n3)cn1)C2 66259509 VEQXFAPDNGSBOS-ZDUSSCGKSA-N 371.328 2.365 5 1 FEBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C(=O)O)c1ccc([N+](=O)[O-])cc1 963614244 WYVPNOYCVRDFGW-WYRIXSBYSA-N 372.377 2.474 5 1 FEBF O=C1CCN(Cc2ccc([N+](=O)[O-])cc2)CCN1[C@H](CO)c1ccccc1 12474570 AMIWVLUVLFFWAM-LJQANCHMSA-N 369.421 2.363 5 3 FEBF O=C(c1ccc(F)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2944765 RDVGYIPEHKLKLG-WCQYABFASA-N 357.341 2.155 5 1 FEBF COC[C@@](C)(O)[C@@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 14689080 YYTVGIBSAJVHGD-OXJNMPFZSA-N 355.390 2.098 5 1 FEBF endogenous,in-man Cc1nn(Cc2ccccc2-c2nc3c(O)ncnc3[nH]2)c(C)c1[N+](=O)[O-] 587267715 PHWMLQLGIJJITG-UHFFFAOYSA-N 365.353 2.495 5 1 FEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587273072 CZJIRCFDBDRUKY-LBPRGKRZSA-N 358.402 2.412 5 1 FEBF COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)C[C@@H]([C@@](C)(O)CO)O4 14682388 SBEAEELWLVRGRB-YWZLYKJASA-N 372.373 2.010 5 1 FEBF biogenic COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)C[N+](=O)[O-] 169321270 RKTHRRBJFPHWFZ-ROUUACIJSA-N 370.405 2.023 5 1 FEBF Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 45259838 GLESGCKTSUAACJ-UHFFFAOYSA-N 350.356 2.195 5 1 FEBF O=C1CCCCN1c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 653793683 PVMWNUGUQQILJR-HNNXBMFYSA-N 372.381 2.286 5 1 FEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587264622 GUQLBAXHUYAVFP-ZUZCIYMTSA-N 356.342 2.143 5 1 FEBF O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n(CC2CCCCC2)c1=O 13759226 QZDHGWXNSCMSGA-UHFFFAOYSA-N 369.381 2.364 5 1 FEBF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2ncccc2[N+](=O)[O-])N1 963235794 SBNSUPKTDNGRQZ-GOEBONIOSA-N 350.334 2.226 5 1 FEBF O=C(Nc1cccc([N+](=O)[O-])c1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1O 1650644 FKLGIKLITVDNEG-UHFFFAOYSA-N 370.281 2.042 5 1 FEBF Cc1nc(N2CCOCC2)c([N+](=O)[O-])n1CC(=O)c1ccc(Cl)cc1 38846331 AIGXCLYHFCGDFD-UHFFFAOYSA-N 364.789 2.473 5 1 FEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cnc(Cl)[nH]c-2n1 587117337 IUUPRGLCONZVRK-UHFFFAOYSA-N 361.671 2.438 5 1 FEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587273667 JXOMNEMRTVTYHU-CYBMUJFWSA-N 370.413 2.304 5 1 FEBF C/C=C1/C[N@+]2(C)CCc3c([nH]c4ccccc34)[C@](CO)(C(=O)O)[C@H]1CC2 473171736 VLRURTRVDYSXIL-CTJGBWITSA-O 355.458 2.452 5 1 FEBF CCCS(=O)(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 586954790 IRMOQLISVLBNTC-UHFFFAOYSA-N 352.416 2.390 5 1 FEBF O=C(NOCc1ccc([N+](=O)[O-])cc1)C(=O)NC1C2CC3CC(C2)CC1C3 103236700 PUOIVAYVMZWDRK-UHFFFAOYSA-N 373.409 2.084 5 1 FEBF COc1ccc(C(=O)Cc2cc(C(=O)O)c(C(=O)O)cc2[N+](=O)[O-])cc1 653844294 JOJILUAXXMBMSK-UHFFFAOYSA-N 359.290 2.425 5 1 FEBF COC(=O)c1cc2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2cc1OC 587272857 BBKDIUWDOXEFOD-SECBINFHSA-N 359.342 2.267 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccn(-c3ccc(F)cc3)n1)C2 45245359 XKQQHOPKMLPTJL-AWEZNQCLSA-N 359.317 2.094 5 1 FEBF COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)C[C@H]([C@@](C)(O)CO)O4 14682386 SBEAEELWLVRGRB-QRWLVFNGSA-N 372.373 2.010 5 1 FEBF biogenic CCC[N@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@H]1C[C@H]([C@@H]3[C@H]5O)[C@H](CC)[C@H]2O 653919137 UAUHEPXILIZYCU-VNOIEECDSA-N 369.529 2.479 5 1 FEBF CCCC[C@@H](O)[C@@H](C)Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-] 27194489 KXDMBILGHSAEAI-MWLCHTKSSA-N 355.395 2.492 5 1 FEBF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587431346 DHYVOZVLBZLDAT-SGTLLEGYSA-N 352.302 2.198 5 1 FEBF COC(=O)c1c(O)ccc2oc3cc(COC(C)=O)cc(O)c3c(=O)c12 238788692 UWENACCIDNTZCO-UHFFFAOYSA-N 358.302 2.207 5 1 FEBF O=C1CC=C2[C@H]3C[C@H]4[C@@]5(CC[N@+]4([O-])C/C3=C/CO)c3ccccc3N1[C@@H]25 584879802 JSOOHERMGHRAQI-QWMXTLRCSA-N 350.418 2.009 5 1 FEBF in-vitro O=c1c2ccccc2c(=O)c2c1sc1c(=O)c3cc(O)ccc3c(=O)c12 208124325 FQEABSPXCYBCKM-UHFFFAOYSA-N 360.346 2.383 5 1 FEBF NS(=O)(=O)c1c[nH]c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 586930729 WMCODULBORLZNA-UHFFFAOYSA-N 364.390 2.302 5 1 FEBF COCCOc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1[N+](=O)[O-] 587264803 KDRNCGSTLRAQBW-UHFFFAOYSA-N 359.298 2.467 5 1 FEBF COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2(C)C[C@H]([C@H](C)O)[C@@H]1C[C@@H]32 85663288 MWWSQCMVKUHOFF-JJVAJBMGSA-O 355.458 2.026 5 1 FEBF CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)(C(O)O)CC2=O 587472913 OHQZDGLTFCPLHA-LJQANCHMSA-N 373.361 2.424 5 1 FEBF N=C(N)c1ccc(-c2cc(-c3cc(C(=N)N)ccc3[N+](=O)[O-])no2)cc1 103224377 DFKUWZALKSQTPG-UHFFFAOYSA-N 350.338 2.485 5 1 FEBF COc1cc(OC[C@H](O)COC(C)=O)cc2c1c(=O)c1ccccc1n2C 45299195 BYIPOLARCDPCOI-CYBMUJFWSA-N 371.389 2.003 5 1 FEBF Cn1cc(C(=O)c2c(-c3cnn(C)c3)[nH]c3cccc([N+](=O)[O-])c23)cn1 587647394 GPMDUKNHQMHHQS-UHFFFAOYSA-N 350.338 2.441 5 1 FEBF N[C@@H](CCc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270019 HNPSZJNQWWSSMJ-LBPRGKRZSA-N 374.788 2.418 5 1 FEBF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C(=O)O)c1ccc([N+](=O)[O-])cc1 963614240 WYVPNOYCVRDFGW-NSPYISDASA-N 372.377 2.474 5 1 FEBF Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] 4845777 JJDXFQYTEGVSCN-LZDSYCOUSA-N 371.393 2.263 5 1 FEBF COc1ccc(CCNC(=O)[C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NO2)cc1 8578690 CFCJVSNCKGAAIN-GOSISDBHSA-N 369.377 2.455 5 3 FEBF C[C@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 40950549 FFLIJKBMHPEWFR-VIFPVBQESA-N 365.342 2.270 5 1 FEBF O=C(/C=C/c1ccccc1[N+](=O)[O-])NS(=O)(=O)c1ccc(F)cc1 42251065 CXZXPHBZGWSABD-BJMVGYQFSA-N 350.327 2.252 5 1 FEBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(S)nc(S)nc2[nH]1 587270921 XEKPZUINURDQMI-UHFFFAOYSA-N 363.380 2.230 5 1 FEBF C[C@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277476 WUISNJXKOFUJIT-GFCCVEGCSA-N 356.386 2.109 5 1 FEBF COCCNc1ncc(C(=O)N2CCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135496 YFDBARPXHVESSI-UHFFFAOYSA-N 371.397 2.346 5 1 FEBF CCC(=O)Nc1ccc(OC[C@H](O)[C@H](C)NC(C)(C)C)c([N+](=O)[O-])c1 28768322 SPSPTSFMQXMGEZ-FZMZJTMJSA-N 353.419 2.460 5 1 FEBF Cc1cc(CO)c2c(=O)c3c(O)c(C[C@H](O)C(C)(C)O)ccc3oc2c1 2356637108 HMOJWLADOJJVCE-HNNXBMFYSA-N 358.390 2.127 5 1 FEBF CN(C)CCOc1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587273992 REVWGIYHXTWNBV-UHFFFAOYSA-N 358.402 2.241 5 1 FEBF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c([N+](=O)[O-])cc(F)cc41)[C@@H](C2)C3=O 587426614 DMZWFHRBJLFURB-BBATYDOGSA-N 370.292 2.338 5 1 FEBF O=C(O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O 587937859 ZJHPHSPLEWVLSA-UHFFFAOYSA-N 357.116 2.186 5 1 FEBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnccc2[nH]1 587266786 ORUYEKNFEGNMCA-XLKFXECMSA-N 358.314 2.308 5 1 FEBF O=C(O)/C=C1\CN(Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc21 82157042 USXPBEVPOJUPFX-UKTHLTGXSA-N 374.374 2.267 5 1 FEBF O=C1COc2ccccc2N1Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 1772655386 WNGDGXRHKKBWPR-UHFFFAOYSA-N 365.349 2.160 5 1 FEBF CCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 100380572 YBCNXCRZPWQOBR-JMNOBJNMSA-N 360.474 2.233 5 3 FEBF in-vitro COc1cc(O)c2c(c1)[C@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N+]1(C)[O-] 14714117 VMVNSKSVCTXZOD-IJXZTRCJSA-N 357.362 2.385 5 1 FEBF CC(=O)N[C@H]1c2cc(Br)c([N+](=O)[O-])cc2OC(C)(C)[C@H]1O 26636906 GQDWEFMJZSLHJP-RYUDHWBXSA-N 359.176 2.066 5 1 FEBF CC(C)NS(=O)(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 28258949 DQZPUUJHVGLVIN-UHFFFAOYSA-N 361.375 2.331 5 1 FEBF COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3ncn2c31 101446242 HCOFDHMYUHQATQ-UHFFFAOYSA-N 352.394 2.433 5 1 FEBF CSc1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)cc1 29488767 XQSUGAYVABYGPS-UHFFFAOYSA-N 350.403 2.306 5 1 FEBF CCOC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587263795 OMFMBZRMUMNQKP-WCFLWFBJSA-N 359.382 2.400 5 1 FEBF COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@+]2([O-])C[C@@H](C(C)=O)[C@@H]1C[C@@H]32 254010392 DHECBQUIZKPOOU-WXSGLUEVSA-N 354.406 2.103 5 1 FEBF COC(=O)c1ccnc2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc12 587269275 KQUZQPMVGHBFKW-UHFFFAOYSA-N 356.294 2.044 5 1 FEBF COCCNc1ccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1[N+](=O)[O-] 587261488 CGRWMUHMWBIHNA-UHFFFAOYSA-N 363.765 2.004 5 1 FEBF CC(C)(C)OC(=O)COc1cccc2c1[n+](=O)c1cccc(O)c1n2O 1857753293 OHQMFFVJXWNGPY-UHFFFAOYSA-O 359.358 2.372 5 1 FEBF Cc1nn(Cc2ccccc2-c2nc3c[nH]c(=N)[nH]c-3n2)c(C)c1[N+](=O)[O-] 587267772 QMJWFIWQKWTDIN-UHFFFAOYSA-N 364.369 2.154 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cc3)nn1)C2 66251922 XWJPUQRDEDCKQQ-AWEZNQCLSA-N 371.328 2.365 5 1 FEBF C=CC1=CCc2ccccc2[C@@H](C[N+](=O)[O-])C(C(=O)OC)(C(=O)OC)C1 18068586 LQJWLPILMCPRCM-MRXNPFEDSA-N 359.378 2.438 5 1 FEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587274703 SGMZIMJEWIJBPX-ZDUSSCGKSA-N 369.429 2.223 5 1 FEBF COc1ccc(CNC(=O)[C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)cc1 8577610 RNLMRCNBOGLHPK-KRWDZBQOSA-N 355.350 2.413 5 3 FEBF CCCCNC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084892 CSYCLCNGHSHSIK-UHFFFAOYSA-N 362.411 2.364 5 1 FEBF Cc1c(Br)cnc2[nH]c(Cn3c([N+](=O)[O-])cnc3C)nc12 587274763 SHMHXAUBKFABTN-UHFFFAOYSA-N 351.164 2.490 5 1 FEBF CCOC(=O)CCOCCCOCCc1nc2cccc([N+](=O)[O-])c2[nH]1 587568885 OWFAEINRRKCXPW-UHFFFAOYSA-N 365.386 2.390 5 1 FEBF Cc1c2cc[n+]([C@@H]3OC[C@@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 40646031 WETNUNOIAPCCPU-DUXKGJEZSA-O 365.409 2.335 5 1 FEBF COc1ccc2c(c1)c(O)c1c3c(ncn32)CC[C@H]1NCC[N+](C)(C)O 95920598 VTPADFJSUDVABF-CQSZACIVSA-O 357.434 2.244 5 1 FEBF in-vitro Cc1onc(-c2nc3ncc[nH]c-3n2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587078986 DHUCHRCORKOYKH-UHFFFAOYSA-N 360.721 2.074 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)nc3)cn1)C2 66058836 YEPWWTQZEHIMFS-AWEZNQCLSA-N 371.328 2.365 5 1 FEBF O=C(c1ccc(F)c([N+](=O)[O-])c1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 2944762 RDVGYIPEHKLKLG-DGCLKSJQSA-N 357.341 2.155 5 1 FEBF CCN(C)c1ncc(C(=O)NCCCOC)c(-c2ccc([N+](=O)[O-])cc2)n1 82148247 QUWRUFLLSWQMHT-UHFFFAOYSA-N 373.413 2.274 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cncc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] 587264860 UQIQKUHMFCMNJS-HLTSFMKQSA-N 367.203 2.381 5 1 FEBF Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CSC(=S)N1CCCCCC1 1772624718 XJLONAMPQSWRSQ-GFCCVEGCSA-N 358.489 2.355 5 1 FEBF O=C1NC(NCc2ccccc2)=N/C1=C\c1c[nH]c2ncc([N+](=O)[O-])cc12 40974478 BOQKOBIFVPPFPW-UUASQNMZSA-N 362.349 2.088 5 1 FEBF CN1CCN(c2ccc3nc(CCCn4ccc([N+](=O)[O-])n4)[nH]c3c2)CC1 587274639 XKURGZSPDJMORA-UHFFFAOYSA-N 369.429 2.052 5 1 FEBF NC(=O)c1c(F)ccc(OCCn2cnc3cc([N+](=O)[O-])ccc32)c1F 1772652594 ZOCBJGJUSSSMOE-UHFFFAOYSA-N 362.292 2.401 5 1 FEBF O=C1N=c2ccccc2=C1C=C1C=CN(Cc2ccccc2[N+](=O)[O-])C=C1 377466638 NLTJCPAMIMPQHR-UHFFFAOYSA-N 357.369 2.375 5 1 FEBF Cc1ncc([N+](=O)[O-])n1C[C@H](O)CN1CCC(Cc2ccccc2)CC1 1772642436 OXQWIDCGEAEFSV-GOSISDBHSA-N 358.442 2.415 5 1 FEBF CCCC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 103628695 YBCNXCRZPWQOBR-XKVKOWAUSA-N 360.474 2.233 5 1 FEBF Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1nc2ccc([N+](=O)[O-])cc2[nH]1 49088961 LBQMXFYWBZXWKM-UHFFFAOYSA-N 357.355 2.078 5 1 FEBF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@H](O)c1ccc([N+](=O)[O-])cc1 66264003 SOALSOCFLGLPKW-DOPJRALCSA-N 371.345 2.389 5 1 FEBF Cc1cc(=O)oc2c1ccc1c(OCC(=O)N3CCOCC3)cccc12 84632394 NTGMLVMRJJUBQU-UHFFFAOYSA-N 353.374 2.492 5 1 FEBF Cc1ccnc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 587274424 XNYWDDPMNCLGGN-ZDUSSCGKSA-N 354.370 2.073 5 1 FEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(=N)N)cc2[nH]1 587116677 BEHTWQMQGBPJDT-UHFFFAOYSA-N 367.291 2.327 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1nn(C)cc1[N+](=O)[O-])O2 587388484 CUBWIOMEHNVBKY-XFHJGTJQSA-N 371.397 2.155 5 1 FEBF CCCC[N+]1(C)[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 2040947 YBCNXCRZPWQOBR-MIPFZEOLSA-N 360.474 2.233 5 1 FEBF O=C1CC=C(c2nc3cc([N+](=O)[O-])cnc3[nH]2)NN1Cc1ccc(F)cc1 587164629 UKXKMWHMVXXHQC-UHFFFAOYSA-N 368.328 2.283 5 1 FEBF CCc1ccc(/C=C/c2ncc([N+](=O)[O-])n2CCn2cc(CO)nn2)cc1 1857650946 WGVHDPQWGWBAQH-BQYQJAHWSA-N 368.397 2.308 5 1 FEBF C[S@@](=O)COC(=O)[C@H](O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 103224979 RFZTVCJNFBZSFS-ZNHCOGEQSA-N 366.503 2.393 5 1 FEBF O=c1[nH]ccc2nc(NC[C@@H]3CCS(=O)(=O)C3)c3ccc(F)cc3c12 64549779 YJQUADKQWWERLA-JTQLQIEISA-N 361.398 2.062 5 1 FEBF CCCCCc1cc2c(=O)cc(C(=O)O)[nH]c2c2c(=O)cc(C(=O)O)[nH]c12 39221268 BFEWBUGYJFNVPG-UHFFFAOYSA-N 370.361 2.499 5 1 FEBF O=[N+]([O-])c1ccn(CCCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)n1 587274114 SPWBQQBMXLODFY-UHFFFAOYSA-N 361.274 2.117 5 1 FEBF Nc1nccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 587271079 ZNYDNBAYAOXHSL-UHFFFAOYSA-N 366.381 2.468 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(F)cc3)c1)C2 45254942 IYLFMGITRHGWIH-AWEZNQCLSA-N 359.317 2.094 5 1 FEBF O=C(NN1C(=O)CCS[C@@H]1c1ccccc1[N+](=O)[O-])c1ccncc1 84631959 YLNHKGIMRJLYGQ-MRXNPFEDSA-N 358.379 2.299 5 1 FEBF CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2c(N)scc12 40828903 HZPQPESULOVLEW-UHFFFAOYSA-N 360.351 2.114 5 1 FEBF NS(=O)(=O)c1cnccc1Sc1nc2ccc([N+](=O)[O-])cc2s1 49802993 CVJNMVSJWKVRHG-UHFFFAOYSA-N 368.421 2.398 5 1 FEBF CN(C)C(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587269523 DCLMIXAAWRRUOK-AWEZNQCLSA-N 353.382 2.415 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)ncc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265986 YQGZKUHLYJQXEL-HRDYMLBCSA-N 367.203 2.381 5 1 FEBF COCCNc1ccc(-c2nc3ccc(C(=O)OC)nc3[nH]2)cc1[N+](=O)[O-] 587265249 NENVUHJJTUZAPJ-UHFFFAOYSA-N 371.353 2.378 5 1 FEBF CC1=C(c2ccc3nc([C@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3c2)NNC(=O)C1 587277631 ZKCFEHTUQQYCHK-JTQLQIEISA-N 367.369 2.032 5 1 FEBF O=[N+]([O-])c1nc2n(n1)C[C@@H](OCc1cccc(OC(F)(F)F)c1)CO2 1772582210 VMQAPKFFGREECG-SNVBAGLBSA-N 360.248 2.063 5 1 FEBF COC[C@](C)(O)[C@@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 14689082 YYTVGIBSAJVHGD-JXFKEZNVSA-N 355.390 2.098 5 1 FEBF endogenous,in-man O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccccc2)c([N+](=O)[O-])c1 84652863 ROEMDOIPCQJOCO-UHFFFAOYSA-N 351.340 2.024 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(F)c([N+](=O)[O-])cc21 587384375 KZHACMSEMGGZHK-QGZVFWFLSA-N 357.297 2.437 5 1 FEBF CC(=O)N[C@@H]1c2cc(Br)c([N+](=O)[O-])cc2OC(C)(C)[C@H]1O 26636912 GQDWEFMJZSLHJP-NEPJUHHUSA-N 359.176 2.066 5 1 FEBF N=C(N)SCc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169315853 YJDGXOYBCMVMFI-UHFFFAOYSA-N 367.408 2.489 5 1 FEBF COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1 4103724 KRABACTZJHRREP-WVKUQDAKSA-N 350.396 2.046 5 1 FEBF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@@H](O)c1ccc([N+](=O)[O-])cc1 66263999 SOALSOCFLGLPKW-KKXDTOCCSA-N 371.345 2.389 5 1 FEBF CC1(C)OC(C)(C)c2c1nnc(-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[n+]2[O-] 27555478 UDUSRRIYNONUKR-UHFFFAOYSA-N 361.314 2.094 5 1 FEBF Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])n1C[C@@H](C)O 35075787 WEAOWCGKICGCCK-SECBINFHSA-N 373.818 2.108 5 1 FEBF Nc1ccccc1NC(=O)CCCNCC(=O)Nc1ccc([N+](=O)[O-])cc1 84670018 CVXBUDOJYXCRHY-UHFFFAOYSA-N 371.397 2.124 5 1 FEBF CNC(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 95584167 UXZZYCXKWFYWMW-UHFFFAOYSA-N 358.401 2.437 5 1 FEBF COCCOc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1[N+](=O)[O-] 587264693 HRBKOBXXQFDIKB-UHFFFAOYSA-N 356.338 2.262 5 1 FEBF O=C1CCCCN1[C@@H]1c2cc([N+](=O)[O-])ccc2OC(CF)(CF)[C@H]1O 26724589 XNZZEGPVJKLTLT-CABCVRRESA-N 356.325 2.080 5 1 FEBF COC(=O)[C@@]1(c2cc3ccccc3[nH]2)COCC=C2C[N+](C)([O-])CC[C@@H]21 40393941 NHKZFALDMLZGHK-MZRGNRRKSA-N 356.422 2.500 5 1 FEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587270041 IFTWMCWSPQTPBJ-NSHDSACASA-N 353.338 2.045 5 1 FEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(S)nc(S)nc4[nH]3)nn2)c1 587269143 HHFNOPSJAWJIOT-UHFFFAOYSA-N 372.395 2.086 5 1 FEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 587119111 XVVYGTCVQZIIET-UHFFFAOYSA-N 371.235 2.346 5 1 FEBF COCCOc1ccc(-c2nc3cc(C(=O)OC)ncc3[nH]2)cc1[N+](=O)[O-] 587264127 BAGICLGPRJYSRG-UHFFFAOYSA-N 372.337 2.345 5 1 FEBF CCCC[N+]1(C)[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]12 100026740 YBCNXCRZPWQOBR-DONZDWLISA-N 360.474 2.233 5 1 FEBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(I)cc2[nH]1 587274242 HRPFLVOVSGYDFW-UHFFFAOYSA-N 369.122 2.476 5 1 FEBF O=c1c2cc(Br)ccc2n2nnc3ccc(NCCCO)c1c32 101321764 YCZLHJGXROGZPS-UHFFFAOYSA-N 373.210 2.391 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccncc3F)cn1)C2 66251056 WKGTYCNINCFLPW-ZDUSSCGKSA-N 371.328 2.365 5 1 FEBF C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])nc2O1 653743749 JWAVPBBHHCDFAJ-GFCCVEGCSA-N 360.248 2.315 5 1 FEBF Cc1nccc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 587271420 FYDPUDIYCYARMD-ZDUSSCGKSA-N 354.370 2.073 5 1 FEBF CCOC(=O)CCOCCCOCCc1nc2ccc([N+](=O)[O-])cc2[nH]1 587570677 XECKEQULHQELCC-UHFFFAOYSA-N 365.386 2.390 5 1 FEBF Nc1ccc(S(=O)(=O)n2ccc3c([N+](=O)[O-])cc([N+](=O)[O-])cc32)cc1 28530919 NMGNRDGVTLTPFO-UHFFFAOYSA-N 362.323 2.277 5 1 FEBF in-vivo C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccnc2[nH]1 587266117 IXGHLLDTZMSWJZ-SDBXPKJASA-N 358.314 2.308 5 1 FEBF CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)NCc3ccccc3)c2)CC1 1911579659 GALFJEHBNLJYEO-UHFFFAOYSA-N 354.410 2.277 5 1 FEBF COc1cc(COC(=O)N[C@H](C(=O)O)C(C)(C)C)c([N+](=O)[O-])cc1OC 1634808 HSZYIVOKRMBMJY-CYBMUJFWSA-N 370.358 2.338 5 1 FEBF COc1ccc2c(c1)c1c3c(ccc4ncn2c43)N(CCN(C)C)CCN=1 31852774 WXOLZCJGPDYUAH-UHFFFAOYSA-N 361.449 2.369 5 1 FEBF COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085554 SIROIJYZRNOSKA-CYBMUJFWSA-N 361.379 2.496 5 1 FEBF COC(=O)C1=C2Nc3ccccc3[C@]23CC[N@@+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 254101053 DHECBQUIZKPOOU-MDIKWQLESA-N 354.406 2.103 5 1 FEBF CN1C(=O)NC(=O)[C@@H](C(=O)Nc2ccc3cc4ccccc4cc3c2)C1=O 1772574368 CAJQEKGKQOEDFI-MRXNPFEDSA-N 361.357 2.256 5 1 FEBF COC(OC)[C@H]1OC(C)(C)O[C@H]1Cc1cnc2ccc([N+](=O)[O-])cc2n1 28817365 HUNSRFAKXNOGKR-GJZGRUSLSA-N 363.370 2.220 5 1 FEBF O=c1nc2n(-c3ccccc3F)c3c([N+](=O)[O-])cccc3cc-2c(=O)[nH]1 96286458 XSYUDYQSRHQEMM-UHFFFAOYSA-N 352.281 2.226 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1)C2 44352666 OWKPAFONRAJFPD-JTQLQIEISA-N 358.276 2.241 5 1 FEBF CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)NC)cc1[N+](=O)[O-] 13560033 SIQXMYBLKQFLEV-UHFFFAOYSA-N 360.392 2.038 5 1 FEBF COc1cc(-n2cnc3ccc([N+](=O)[O-])cc3c2=O)cc(OC)c1OC 653704622 QTCLFPGJTIHCFO-UHFFFAOYSA-N 357.322 2.320 5 1 FEBF CNS(=O)(=O)c1ccc(CCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586947367 XAUFEACLMYSFTL-UHFFFAOYSA-N 360.395 2.164 5 1 FEBF CCn1cc(Br)c(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)n1 586999582 BRAYHMNTTVUNAX-UHFFFAOYSA-N 351.164 2.436 5 1 FEBF O=C1C[C@@H]2OCC=C3C[N+]4([O-])CC[C@@]56c7ccccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]64 169692023 ADTDBAKUQAKBGZ-RCRDZGJVSA-N 350.418 2.105 5 1 FEBF CCOC(=O)c1cnc2n(nc3c(Cl)nc4ccc(C)cc4n32)c1=O 103205765 MLESMHKUWUXVDA-UHFFFAOYSA-N 357.757 2.029 5 1 FEBF N=c1nc(-c2ccccn2)[nH]n1-c1ncnc2cc(Cl)c([N+](=O)[O-])cc12 653799353 PEVYPBMTSOPFNI-UHFFFAOYSA-N 368.744 2.247 5 1 FEBF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cncc([N+](=O)[O-])c2[nH]1 587194404 RXYBXGHCDCQZMN-JTQLQIEISA-N 364.406 2.384 5 1 FEBF COC(=O)c1cc(OC)c(OC(C)=O)c2oc3cc(C)ncc3c(=O)c12 1772598306 DPALMJMZXLVEDD-UHFFFAOYSA-N 357.318 2.370 5 1 FEBF O=C(O)c1ccc2c(c1)nc(N1CCOCC1)c1nc(NC3CC3)ncc12 199790908 JIINWIGJPHMORQ-UHFFFAOYSA-N 365.393 2.287 5 1 FEBF COc1cc(OCc2nc3c(S)nc(S)nc3[nH]2)ccc1[N+](=O)[O-] 587262543 WJQUMNBANSOKNY-UHFFFAOYSA-N 365.396 2.426 5 1 FEBF O=[N+]([O-])c1cc(-c2nnn(CCCN3CCCCC3)n2)cc([N+](=O)[O-])c1 1772590293 DVHUTRCZPCXXBW-UHFFFAOYSA-N 361.362 2.033 5 1 FEBF CC(C)NC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2c(N)scc12 96929715 QZUNDKXETOITGV-UHFFFAOYSA-N 373.394 2.076 5 1 FEBF COCCNc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] 587265687 QAQWNBOBPNBRNM-UHFFFAOYSA-N 358.314 2.500 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(F)cc3)ncn1)C2 72124301 JVHOZABDDIXULK-LBPRGKRZSA-N 357.301 2.227 5 1 FEBF CCc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587271375 CGZOYZZXVAIZDE-HOTGVXAUSA-N 370.365 2.067 5 1 FEBF N[C@@H](CCc1nc2c(Cl)ccnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587269299 AFWGPTRBEGIUFT-LBPRGKRZSA-N 374.788 2.418 5 1 FEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587268043 VYHVWJPPINSEHS-ZDUSSCGKSA-N 369.429 2.337 5 1 FEBF COc1c(OC)c(O)c2c(=O)c3c(O)c(OC)c(O)cc3oc2c1OC 95486211 XAEGXBVPBCQGJB-UHFFFAOYSA-N 364.306 2.097 5 1 FEBF biogenic,in-vitro COC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccc([N+](=O)[O-])cc12 96273893 WRXTUSOEGJSYMN-UHFFFAOYSA-N 355.306 2.428 5 1 FEBF COc1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 474609296 OYDUBPIWBIADKM-UHFFFAOYSA-N 367.339 2.337 5 1 FEBF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)N1 962911768 ZUNPYWYSHJWYSY-SWLSCSKDSA-N 361.285 2.330 5 1 FEBF CN(C)CCCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 28235969 MMCZICJODINADD-UHFFFAOYSA-N 372.337 2.204 5 1 FEBF C(CCCN1CC[N+]2(CCCC2)CC1)CCN1CC[N+]2(CCCC2)CC1 84462632 NHAHJFAFOKOHJH-UHFFFAOYSA-N 364.622 2.399 5 1 FEBF CCCCS(=O)(=O)N[C@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)C(C)C 586933079 MIWYKTUEFOYKIH-LBPRGKRZSA-N 355.420 2.283 5 1 FEBF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586950875 FFYLTLHWBRZFPF-UHFFFAOYSA-N 371.375 2.414 5 1 FEBF NC(=O)c1c(F)ccc(OC[C@H]2COc3ccc([N+](=O)[O-])cc3O2)c1F 1772653115 CSSOVHUJYDFRBT-SECBINFHSA-N 366.276 2.191 5 1 FEBF CCC(=O)Nc1ccc(OC[C@@H](O)[C@@H](C)NC(C)(C)C)c([N+](=O)[O-])c1 28768316 SPSPTSFMQXMGEZ-BXUZGUMPSA-N 353.419 2.460 5 1 FEBF O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1nncs1 28227207 GVYFBIXCDUKOPG-UHFFFAOYSA-N 371.290 2.308 5 1 FEBF CCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@H]1C[C@H]([C@@H]3[C@H]5O)[C@H](CC)[C@H]2O 653919136 UAUHEPXILIZYCU-HGUJYPTMSA-N 369.529 2.479 5 1 FEBF CNS(=O)(=O)c1ccc(CCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 586946358 LAWKJQOMNOQJTD-UHFFFAOYSA-N 374.422 2.473 5 1 FEBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CN[C@@H](CF)C3)cc1 13581964 FWEQVNUHWLTAQJ-CQSZACIVSA-N 365.386 2.379 5 1 FEBF CCO[C@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@]1(C)O 103185904 KJUPSCHIFMZADG-GOEBONIOSA-N 370.837 2.062 5 1 FEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587264822 KISHBMSOOHULJU-JTQLQIEISA-N 360.301 2.257 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCCCO4)[C@H]1C[N+](=O)[O-] 587263025 JHGBTJUYOXSVQO-WOPDTQHZSA-N 359.382 2.385 5 1 FEBF CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)NCC)cc1[N+](=O)[O-] 29487745 OBVKLHYTKOZFKZ-UHFFFAOYSA-N 374.419 2.428 5 1 FEBF CCOC(=O)[C@@H](C[C@@H]1C(=O)C2CCN1CC2)C(=O)c1ccc([N+](=O)[O-])cc1 64254264 NIKBGARVJSHMFV-JKSUJKDBSA-N 374.393 2.010 5 1 FEBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@]1(C)c1ccc(C)cc1 1857603805 KRRJPUIOAUOMFS-KRWDZBQOSA-N 357.370 2.473 5 1 FEBF CCCCS(=O)(=O)N[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)C(C)C 586933075 MIWYKTUEFOYKIH-GFCCVEGCSA-N 355.420 2.283 5 1 FEBF COC(=O)Cn1c(=O)c2cc(OC)c(OC)cc2c2c[nH]c3nccc-3c21 1857765857 NHYWWXUVXKYANO-UHFFFAOYSA-N 367.361 2.173 5 1 FEBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(O)nc(O)nc2[nH]1 587110034 QPHYLOYHEQECBG-UHFFFAOYSA-N 355.232 2.282 5 1 FEBF C[C@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276646 NLKCMJZTHYYCJZ-GFCCVEGCSA-N 355.402 2.029 5 1 FEBF CCN(C)S(=O)(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 28260289 JADZGTXDSZYHOG-UHFFFAOYSA-N 361.375 2.285 5 1 FEBF Cc1c([N+](=O)[O-])cnn1CCC(=O)n1ncc2ccc(Cl)cc2c1=O 587652362 CRJJAEIECVTTNO-UHFFFAOYSA-N 361.745 2.194 5 1 FEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587273069 CZJIRCFDBDRUKY-GFCCVEGCSA-N 358.402 2.412 5 1 FEBF CC(C)[C@H](N)C(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 1772581310 ZQKXXENXMOBONE-LBPRGKRZSA-N 364.383 2.192 5 1 FEBF COc1cc(OS(=O)(=O)O)cc2cc3oc(C)cc(=O)c3c(OC)c12 14815132 AOHAGQJHBXOCFE-UHFFFAOYSA-N 366.347 2.453 5 1 FEBF biogenic COc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 27990797 USHDVMMVLFKCNE-UHFFFAOYSA-N 369.351 2.388 5 1 FEBF CC1=C(c2ccc3nc([C@@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3c2)NNC(=O)C1 587277633 ZKCFEHTUQQYCHK-SNVBAGLBSA-N 367.369 2.032 5 1 FEBF CC[C@@](O)(CCO)[C@H]1Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1 2356778253 PXKGYRVTIKTSSM-FOIQADDNSA-N 372.373 2.184 5 1 FEBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cnnc(O)c2[nH]1 587262188 FZDIODPGKXWURY-MRVPVSSYSA-N 373.325 2.318 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)ncc3[nH]2)[C@H]1C[N+](=O)[O-] 587265991 YQGZKUHLYJQXEL-VGMNWLOBSA-N 367.203 2.381 5 1 FEBF NC(=O)CCCn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 653716949 BKVVWUXAAUZBDZ-UHFFFAOYSA-N 354.366 2.025 5 1 FEBF O=[N+]([O-])c1cncc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587092136 ROONSTJZMCQLDB-UHFFFAOYSA-N 357.208 2.200 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]1CC(=O)O)O2 587389250 KCDHSSQMKYIALL-UQGFQMMYSA-N 362.382 2.305 5 1 FEBF CS(=O)(=O)c1cc(-c2nc3cc(N)ncc3[nH]2)cc([N+](=O)[O-])c1Cl 586925152 FSPNCQMLTLDALU-UHFFFAOYSA-N 367.774 2.172 5 1 FEBF O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 13863210 WONGJCVMNCAMKQ-UHFFFAOYSA-N 368.305 2.483 5 1 FEBF in-vitro COc1cccc(CN=c2c([N+](=O)[O-])nn(-c3ccccc3C)n2O)c1 263591972 LAKWWLLJXACSKE-UHFFFAOYSA-N 355.354 2.237 5 3 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)ccnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587259244 BAKBSJTUOCEYAS-HRDYMLBCSA-N 367.203 2.381 5 1 FEBF CN(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169641 FQIPYMQJCKPQRT-UHFFFAOYSA-N 364.358 2.431 5 1 FEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587653147 QSRMKYYZDZTRBG-SECBINFHSA-N 361.745 2.131 5 1 FEBF Cc1cccn2c(=O)c3cc(C(=O)O)c(=N)n(Cc4ccccc4)c3nc12 1857584526 VWJKRXFQYHISMG-UHFFFAOYSA-N 360.373 2.184 5 1 FEBF O=c1c2ccccc2c(=O)c2c1sc1c(=O)c3ccc(O)cc3c(=O)c12 208124286 AYABONFBJMJOPT-UHFFFAOYSA-N 360.346 2.383 5 1 FEBF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O 587432589 WYJRYRDBTGECHI-BBATYDOGSA-N 352.302 2.198 5 1 FEBF COCCOc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)cc1[N+](=O)[O-] 587264147 BGKWYFGYFXDMQF-UHFFFAOYSA-N 355.354 2.447 5 1 FEBF COc1cc(O)c2c(=O)c3c(C)cc(OS(=O)(=O)O)cc3oc2c1 238788466 NHTUKDWYDKWXNW-UHFFFAOYSA-N 352.320 2.150 5 1 FEBF COC(=O)c1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cn1 587269900 SZWNJCIDWNJSBN-UHFFFAOYSA-N 356.294 2.044 5 1 FEBF COCCNc1ncc(C(=O)NCC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149226 FNGSVOFNAPEAKQ-UHFFFAOYSA-N 371.397 2.250 5 1 FEBF O=C(Nn1c(S)nc2ccc(F)cc2c1=O)c1ccc([N+](=O)[O-])cc1 653780404 RZWQPDFNGPPMKL-UHFFFAOYSA-N 360.326 2.116 5 1 FEBF O=[N+]([O-])c1ccc([C@@H](O)Cn2cc([N+](=O)[O-])nc2Br)cc1 66077255 KMSCAYSQHVWZLA-VIFPVBQESA-N 357.120 2.196 5 1 FEBF O=C1CC[C@@H]2[C@@H]3N1c1ccccc1[C@@]31CC[N+]3([O-])C/C(=C\CO)[C@@H]2C[C@@H]13 85510056 IKFPXBJQXNPNPL-AODGAYCGSA-N 352.434 2.089 5 1 FEBF biogenic,in-vitro CCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2cccc([N+](=O)[O-])c12 587646463 ASUDKWORMSPSIW-ZDUSSCGKSA-N 359.382 2.393 5 1 FEBF CCCCn1c(=O)c2ccc3c(=O)n(C4CC4)c(=O)c4ccc(c1=O)c2c34 1857773003 FHIDGLXBEZPOQA-UHFFFAOYSA-N 362.385 2.201 5 1 FEBF Cc1cc2cc3cc(C)c(NC(=O)C[C@H](N)C(=O)O)cc3nc2cc1N 40565517 WQGLVWXODSOCHK-AWEZNQCLSA-N 352.394 2.328 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@H]1C[N+](=O)[O-] 587262235 GPCNKCTYXYNDOE-JLLWLGSASA-N 356.382 2.108 5 1 FEBF COCCNc1ccc(-c2nc3c(C(=O)OC)ccnc3[nH]2)cc1[N+](=O)[O-] 587266040 URIQLOFOSKNSRK-UHFFFAOYSA-N 371.353 2.378 5 1 FEBF COc1ccc(CCNC(=O)[C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)cc1 8666499 KKFDLBPFRSCRJM-SFHVURJKSA-N 369.377 2.455 5 3 FEBF N[C@@H](N=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587270265 UGSUKOJXNGNFKO-HNNXBMFYSA-N 364.325 2.443 5 1 FEBF N[C@@H](CCc1nc2ccc(O)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271154 CCOXRLPSOQVRMP-ZDUSSCGKSA-N 355.354 2.075 5 1 FEBF CC(=O)Nc1ccc([N+](=O)[O-])cc1-c1nc2cccc3c2n(c1=O)CCO3 1772610621 MVXJIODJFPLDJX-UHFFFAOYSA-N 366.333 2.323 5 1 FEBF COC(OC)[C@@H]1OC(C)(C)O[C@@H]1Cc1cnc2ccc([N+](=O)[O-])cc2n1 28817359 HUNSRFAKXNOGKR-HUUCEWRRSA-N 363.370 2.220 5 1 FEBF O=C(Cn1cnc(N2CCOCC2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40918291 WYIDCBDMVKDRPV-UHFFFAOYSA-N 350.762 2.164 5 1 FEBF CCOC(=O)CC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)OCC 95597194 RAIDOZGVDQFJQP-NSHDSACASA-N 356.400 2.467 5 1 FEBF COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2C1 104004494 KRABACTZJHRREP-IMIFBBOLSA-N 350.396 2.046 5 1 FEBF COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)C[N+](=O)[O-] 169325994 RKTHRRBJFPHWFZ-QZTJIDSGSA-N 370.405 2.023 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)nc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263380 MEWPBKKCNVPQCK-IWSPIJDZSA-N 367.203 2.381 5 1 FEBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 13839999 DFAVEBLFVJRPBM-LBPRGKRZSA-N 364.379 2.259 5 1 FEBF N=C(N)c1ccc(-c2cc(-c3ccc(C(=N)N)cc3[N+](=O)[O-])on2)cc1 28644389 IAYRSPRFWHSIMM-UHFFFAOYSA-N 350.338 2.485 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ncc(-c3ccc(F)cc3)cn1)C2 66259149 NXHSCCWRPSBYAB-AWEZNQCLSA-N 371.328 2.365 5 1 FEBF COc1cccc(Cn2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c1 1772571932 KBKMMKAYZWIOCZ-UHFFFAOYSA-N 356.298 2.213 5 1 FEBF CC(C)[C@H](CO)NC(=O)COc1ccc2c(=O)c3ccccc3oc2c1 103228902 YHRAHQZZVPYXMS-INIZCTEOSA-N 355.390 2.458 5 1 FEBF Nc1ccnc2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 587271025 XEUVBWZWWRLTMQ-UHFFFAOYSA-N 366.381 2.468 5 1 FEBF O=C(NCC(=O)N1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084898 SQAQSGMFJHQFAU-UHFFFAOYSA-N 374.422 2.461 5 1 FEBF CCOC(=O)Cc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587261617 CUHBJGFNJXSXSL-FPMFFAJLSA-N 373.409 2.329 5 1 FEBF CS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270923 UJNORJJYTYWREZ-ZDUSSCGKSA-N 360.395 2.117 5 1 FEBF O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccccc3[N+](=O)[O-])cc12 1857589800 VGRZWNIYFBEOJS-UHFFFAOYSA-N 371.330 2.288 5 1 FEBF Cc1oc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1[N+](=O)[O-] 587268720 KAHLNFAJBVUYHO-UHFFFAOYSA-N 350.356 2.290 5 1 FEBF Cc1nn(Cc2ccccc2-c2nc3cnnc(O)c3[nH]2)c(C)c1[N+](=O)[O-] 587266787 APFDEVHSGREOIV-UHFFFAOYSA-N 365.353 2.495 5 1 FEBF O=c1[nH]c2cc(Br)c(Br)c([N+](=O)[O-])c2nc1O 1484689 HPDZNXVZXICVSF-UHFFFAOYSA-N 364.937 2.062 5 1 FEBF investigational O=[N+]([O-])c1cncc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587009307 ZOBXIFLPYUGBQP-UHFFFAOYSA-N 360.131 2.338 5 1 FEBF N=C(NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1 473153079 YHTWXUQJMGFNLN-UHFFFAOYSA-N 368.397 2.473 5 1 FEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cncc([N+](=O)[O-])c2[nH]1 587118678 UGOWWFWWWUSYCM-UHFFFAOYSA-N 371.235 2.346 5 1 FEBF Cc1cc2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c2cc1[N+](=O)[O-] 586931548 YBTKAGPVIRHLGV-UHFFFAOYSA-N 350.356 2.290 5 1 FEBF CCOC(=O)[C@@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 100104449 WPKPQGLQJCXHCR-JKSUJKDBSA-N 368.345 2.431 5 1 FEBF Cn1c2ccccc2c2c3ccccc3c(CNC(CO)(CO)CO)cc21 45227065 PVWVPBWNMSXKNT-UHFFFAOYSA-N 364.445 2.290 5 1 FEBF Cn1c(=O)nc2n(-c3ccc(Cl)cc3F)c3ccccc3nc-2c1=O 29481634 DLGLHLARPMVMPO-UHFFFAOYSA-N 356.744 2.377 5 1 FEBF O=[N+]([O-])c1nc2n(n1)C[C@H](OCc1ccc(OC(F)(F)F)cc1)CO2 40892093 GYJUMJNTXHCSKW-JTQLQIEISA-N 360.248 2.063 5 1 FEBF Cc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCNCCO)c2c1 27104653 KNZCFVWDVUVQMT-UHFFFAOYSA-N 353.382 2.469 5 1 FEBF C[S@@](=O)(=NC(N)=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 141015450 VBCKMADOGOMHAP-VWLOTQADSA-N 360.347 2.180 5 1 FEBF Cc1cccn2c(=O)c3cc(C(=O)O)c(=N)n(CCc4ccccc4)c3nc12 1857544731 JLPDKXNDDDIHEV-UHFFFAOYSA-N 374.400 2.378 5 1 FEBF COC(=O)c1ccc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2n1 587260746 CAGQYJINWHKCGO-UHFFFAOYSA-N 358.310 2.337 5 1 FEBF O=c1[nH]n(Cc2cccnc2)c(=O)c2c(O)c3ccc(Cl)cc3nc12 13553689 RBFNIYIXARBGKU-UHFFFAOYSA-N 354.753 2.040 5 1 FEBF C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@H]1[C@@]4(CO)C(=O)OC 101195047 FYFJKVNWEOWJJQ-MWFCRSKGSA-N 369.485 2.418 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(/C(=C/N(C)C)n1cc([N+](=O)[O-])cn1)O2 587388654 FHDYPOOHNNOADS-FJJYYWMZSA-N 371.397 2.466 5 1 FEBF COc1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2n1 587117359 IXSWCNNQIXOWMZ-UHFFFAOYSA-N 356.264 2.447 5 1 FEBF CCC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@H]5O)[C@H](CC)[C@H]2O 8214444 UAUHEPXILIZYCU-PMRJJOIMSA-N 369.529 2.479 5 1 FEBF in-man CN(C)CCOCCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82086366 KSEOAFQSCAINDG-UHFFFAOYSA-N 365.411 2.453 5 1 FEBF COCCNc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1[N+](=O)[O-] 587265226 MUSASWIRDYQBGI-UHFFFAOYSA-N 358.314 2.500 5 1 FEBF CC(=O)OCCn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 653707150 GRCYUZFKNZGSHX-UHFFFAOYSA-N 355.350 2.323 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587264014 QCEFXPFXOVBJJE-VGMNWLOBSA-N 350.306 2.271 5 1 FEBF CCOC(=O)[C@@H](C)[S@@](=O)c1nnc(-c2ccc([N+](=O)[O-])s2)s1 28570483 ZNXIFPOMQDHANC-IRQDQGPISA-N 361.426 2.234 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(OCCN(C)C)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263682 NQMKUYLVLFWVEC-BPLDGKMQSA-N 374.441 2.164 5 1 FEBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccnc2[nH]1 587266062 IXGHLLDTZMSWJZ-ISVAXAHUSA-N 358.314 2.308 5 1 FEBF O=c1c2ccccc2n(CCCN(CCO)CCO)c2ccc(Cl)cc12 29037561 FFCCHCCZISHYJI-UHFFFAOYSA-N 374.868 2.485 5 1 FEBF CCOC(=O)[C@H](C)[S@@](=O)c1nnc(-c2ccc([N+](=O)[O-])s2)s1 28570484 ZNXIFPOMQDHANC-JOQOHGAHSA-N 361.426 2.234 5 1 FEBF COCCNC(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82136012 HRXONTOZYFZVBZ-UHFFFAOYSA-N 371.397 2.028 5 1 FEBF COc1c(OC(C)=O)c(=O)n2c3ccccc3c3cc(OC(C)=O)nc1c32 299868942 STUOHMOBKVKNPQ-UHFFFAOYSA-N 366.329 2.298 5 1 FEBF Cn1nc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(F)c1O 587154266 AYORDIAKLIGOIB-UHFFFAOYSA-N 356.111 2.479 5 1 FEBF O=C(CO[N+](=O)[O-])N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 653727908 KIEJLBXPEQXSEW-INIZCTEOSA-N 370.321 2.481 5 1 FEBF O=C(N=c1nc2nc(-c3ccccc3)ccn2[nH]1)c1ccc([N+](=O)[O-])cc1 1857597588 GYDBTVAHWLHHOI-UHFFFAOYSA-N 360.333 2.374 5 1 FEBF CCN(CC)CCn1c2cc(O)c(N)cc2c(=O)c2c(O)cc(O)cc21 26263694 LRNUGFOMSWDKRF-UHFFFAOYSA-N 357.410 2.196 5 1 FEBF COCCNc1ncc(C(=O)NCC2CC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135453 UXZHUCPBOHPXOI-UHFFFAOYSA-N 371.397 2.250 5 1 FEBF COc1cccc2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1[C@H]4OC[C@@]1(C)O 28475365 NAOMBKOSLWWBDZ-IPMKNSEASA-N 356.330 2.244 5 1 FEBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(N)ncnc2[nH]1 587265623 XDODAAMRJKNNJY-QMMMGPOBSA-N 372.341 2.195 5 1 FEBF O=[N+]([O-])c1ccn(CCCc2nc3cncc(Br)c3[nH]2)n1 587274407 VIJBRBARVYKMPJ-UHFFFAOYSA-N 351.164 2.458 5 1 FEBF O=[N+]([O-])c1ccccc1C=c1nc(O)c(=Cc2ccc(Cl)cc2)nc1O 253737952 PBUYGPQWQFPLJL-UHFFFAOYSA-N 369.764 2.107 5 1 FEBF O=C(c1ccccc1)c1n[nH]c2c1C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 49109348 NZNNRDYLIVGMRW-UHFFFAOYSA-N 362.301 2.350 5 1 FEBF COc1ccc2cc3n(C)c(=O)c(=O)c4ccc(OC)c(oc2c1O)c4-3 14886618 BUZBFDBRFDGWRF-UHFFFAOYSA-N 353.330 2.473 5 1 FEBF biogenic O=c1oc2cc(OC[C@@H](O)COc3ccccc3)ccc2c(O)c1[N+](=O)[O-] 169337583 YNOSNBUCQXYWOC-NSHDSACASA-N 373.317 2.226 5 1 FEBF COC(OC)[C@@H]1OC(C)(C)O[C@H]1Cc1cnc2ccc([N+](=O)[O-])cc2n1 28817363 HUNSRFAKXNOGKR-LSDHHAIUSA-N 363.370 2.220 5 1 FEBF COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)C[C@H]([C@](C)(O)CO)O4 14682389 SBEAEELWLVRGRB-FOIQADDNSA-N 372.373 2.010 5 1 FEBF biogenic CSC1=N[C@H](c2cc([N+](=O)[O-])ccc2SC)C2=C(COC2=O)N1 139186380 ITSPUHWYLWMBTM-GFCCVEGCSA-N 351.409 2.491 5 1 FEBF O=C(N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)n1nnc2ccccc21 95577845 AZDMVLYSBMSUEL-UHFFFAOYSA-N 366.381 2.125 5 1 FEBF NS(=O)(=O)c1ccc(CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 586930353 QSPBFUUJNLJSSN-UHFFFAOYSA-N 364.358 2.043 5 1 FEBF COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@@H]1OC=C[C@@]41O 6019185 QRARGUIFAGCOOA-RBUKOAKNSA-N 354.314 2.413 5 1 FEBF biogenic O=C(O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586920707 VTKDICBGCHPBLD-UHFFFAOYSA-N 361.335 2.143 5 1 FEBF Cc1c(-c2nc3c(O)nc(O)nc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979299 AOMLSMFKSFYJGE-UHFFFAOYSA-N 366.131 2.410 5 1 FEBF O=C1CC=C2[C@H]3C[C@H]4[C@@]5(CC[N+]4([O-])C/C3=C/CO)c3ccccc3N1[C@@H]25 14681392 JSOOHERMGHRAQI-WMJCWLERSA-N 350.418 2.009 5 1 FEBF O=C1NC(=O)C(c2cccc([N+](=O)[O-])c2)=C1Nc1ccc(O)c(Cl)c1 14946003 SWAZORFPVNPJJA-UHFFFAOYSA-N 359.725 2.433 5 1 FEBF O=c1oc2ccccc2c2nn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 1857596105 ARKWDAHDRBYVBL-UHFFFAOYSA-N 371.330 2.288 5 1 FEBF C=C1C(C)=NN/C(=C\[N+](=O)[O-])N1CCSCc1ccc(CN(C)C)o1 1772648141 NSEPRNDDKDBSKO-MHWRWJLKSA-N 365.459 2.445 5 1 FEBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@H](O)[C@@H](O)C(C)(C)O2 13459132 VMOMUKQKOCLINI-RBUKOAKNSA-N 355.390 2.266 5 1 FEBF biogenic O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(F)cc3)cn1)C2 66258593 LPCLVSMNJLMJAM-AWEZNQCLSA-N 371.328 2.365 5 1 FEBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(O)c2[nH]1 587267393 YFQQWVBJJBCOCH-MADCSZMMSA-N 374.313 2.014 5 1 FEBF Cc1cccn2c(=O)c3cc(C(=O)O)c(=N)n(-c4ccc(F)cc4)c3nc12 1857611756 BGPRDLRUGCIANS-UHFFFAOYSA-N 364.336 2.264 5 1 FEBF CCCCNC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084840 ZAEKGIDJQIOWPE-UHFFFAOYSA-N 362.411 2.364 5 1 FEBF COc1cc(OC)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1 587266100 ZNIOGQRNOFUHHA-NSHDSACASA-N 358.354 2.436 5 1 FEBF COc1c2c(c(O)c3c(=O)c4cccc(O)c4n(C)c13)C[C@@H](C(C)(C)O)O2 66077451 QHLDPWBFSQRVLN-LBPRGKRZSA-N 371.389 2.186 5 1 FEBF biogenic CNC1=C(C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C(C)C1 28122209 SKKRMJJARVELPV-OAHLLOKOSA-N 360.366 2.218 5 1 FEBF CCCCS(=O)(=O)N[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)C(C)C 586933452 RZZJVTMHOQAAIF-GFCCVEGCSA-N 355.420 2.283 5 1 FEBF O=C(O)c1nc(-c2sccc2[N+](=O)[O-])n(Cc2ccccc2)c(=O)c1O 13683560 JKAIXMFBXMLCIJ-UHFFFAOYSA-N 373.346 2.332 5 1 FEBF Cn1nccc1C(=O)c1c(-c2ccnn2C)[nH]c2cc([N+](=O)[O-])ccc12 587648081 ZYXHDFWVICQCOQ-UHFFFAOYSA-N 350.338 2.441 5 1 FEBF COCCNc1ccc(-c2nc3cccc(C(N)=O)c3[nH]2)cc1[N+](=O)[O-] 587266407 WGIDQUSYZYLUFC-UHFFFAOYSA-N 355.354 2.295 5 1 FEBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@@H](O)[C@H](O)C(C)(C)O2 13459129 VMOMUKQKOCLINI-MOPGFXCFSA-N 355.390 2.266 5 1 FEBF biogenic CCCC[C@H](O)[C@H](C)Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-] 27194500 KXDMBILGHSAEAI-ONGXEEELSA-N 355.395 2.492 5 1 FEBF O=[N+]([O-])c1cncc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586923098 YLKRJQZSUXCVTI-UHFFFAOYSA-N 372.406 2.371 5 1 FEBF O=[N+]([O-])c1cnc2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 587007814 FFQNOQMLPJCQPF-UHFFFAOYSA-N 360.131 2.338 5 1 FEBF O=[N+]([O-])c1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)nn1CC(F)(F)F 587091674 MHFVPMSOZVTAIB-UHFFFAOYSA-N 367.247 2.479 5 1 FEBF N[C@@H](Cc1cc(-c2cc(O)ccc2O)c(Cl)c([N+](=O)[O-])c1)C(=O)O 1857761835 XSAWTCPSWFHFII-NSHDSACASA-N 352.730 2.281 5 1 FEBF COc1ccccc1CNC(=O)[C@@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1 8666508 TVLLGQMJESYNNZ-KRWDZBQOSA-N 355.350 2.413 5 3 FEBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)[C@@H]1OC[C@](C)(O)[C@H]1O2 85811913 ZDHCSGNLOGAREA-FHWLQOOXSA-N 356.330 2.244 5 1 FEBF biogenic O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)CN[C@H](CF)C3)c1 13581972 YVBDFPWDLYAGPR-AWEZNQCLSA-N 365.386 2.379 5 1 FEBF COC(=O)c1c(O)ccc2oc3cc(C(OC)OC)cc(O)c3c(=O)c12 2356723039 XJJHMCILBMGTAN-UHFFFAOYSA-N 360.318 2.435 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)ccnc3[nH]2)[C@H]1C[N+](=O)[O-] 587259249 BAKBSJTUOCEYAS-VGMNWLOBSA-N 367.203 2.381 5 1 FEBF COC(=O)COc1ccc2c(=O)c3ccc(OCC(=O)OC)cc3oc2c1 1857644232 AURVAKBPCXKUMQ-UHFFFAOYSA-N 372.329 2.050 5 1 FEBF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 586946479 YQKVOTHHZFQCKZ-UHFFFAOYSA-N 350.356 2.089 5 1 FEBF Cc1onc(-c2nc3ncncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080360 ULURXWHDYIXVKT-UHFFFAOYSA-N 360.721 2.123 5 1 FEBF CCCC[C@@H](Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-])[C@@H](C)O 27194464 HJFBVCZUTHYPEP-NXEZZACHSA-N 355.395 2.492 5 1 FEBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)[C@@H]1OC[C@@](C)(O)[C@H]1O2 14682352 ZDHCSGNLOGAREA-GBESFXJTSA-N 356.330 2.244 5 1 FEBF biogenic CN(C)CCNC(=O)c1cnc2c(ccc3cc4c(cc32)OCCO4)c1 1857576986 LXTVSWVGEIJODC-UHFFFAOYSA-N 351.406 2.451 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)nc3)nc1)C2 66259373 NCDHCNBNNRMMMC-ZDUSSCGKSA-N 371.328 2.365 5 1 FEBF COC(=O)c1ccc2c(=O)c3c(O)cc(CO)c(Cl)c3oc2c1O 2356720424 ZURCVPJRADWJSG-UHFFFAOYSA-N 350.710 2.290 5 1 FEBF Cc1c(-c2nc3c(O)nc(N)nc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979285 AHCIRZNNBMUBBS-UHFFFAOYSA-N 365.147 2.287 5 1 FEBF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 586950772 CSLMJRGDPTZDIQ-UHFFFAOYSA-N 353.385 2.275 5 1 FEBF Nc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cn1 587270477 KRAQOMRTODKYAK-UHFFFAOYSA-N 366.381 2.468 5 1 FEBF COc1ccccc1CC(=O)Nc1nc(N)nc(-c2ccco2)c1[N+](=O)[O-] 43063772 IJFHXPZGVLQVJF-UHFFFAOYSA-N 369.337 2.417 5 1 FEBF CN(Cc1nc2cccc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169723 IRTIZCBZNNECEJ-UHFFFAOYSA-N 364.358 2.431 5 1 FEBF COC(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1OC 587273953 QTGVASSOBZRQQC-UHFFFAOYSA-N 359.342 2.096 5 1 FEBF O=C(c1[nH]nc([N+](=O)[O-])c1Cl)n1ncc2ccc(Cl)cc2c1=O 587651887 QUWRJENKHVSPRF-UHFFFAOYSA-N 354.109 2.023 5 1 FEBF COc1c(OC)c(O)c2c(=O)c3c(O)cc(O)c(OC)c3oc2c1OC 103255187 FIPJYPBZYQOEHW-UHFFFAOYSA-N 364.306 2.097 5 1 FEBF O=[N+]([O-])c1cc(-c2nnn(Cc3ccc(F)c(F)c3)n2)cc([N+](=O)[O-])c1 1772646972 LYEYRFKMTWFYMW-UHFFFAOYSA-N 362.252 2.483 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c([N+](=O)[O-])cc(F)cc21 587384978 QOKALLBASNCCGI-QGZVFWFLSA-N 357.297 2.437 5 1 FEBF N=C(N)c1ccc(-c2cc(-c3cccc(C(=N)N)c3[N+](=O)[O-])no2)cc1 28644056 LRZSKOCYWIEFAS-UHFFFAOYSA-N 350.338 2.485 5 1 FEBF Cc1nc(CS(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])n1C 35075782 ZHMRMLWSRQTHLA-UHFFFAOYSA-N 374.216 2.373 5 1 FEBF COC(=O)[C@@H]1C[C@]23C=CC[N+]4([O-])C[C@H]([C@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@H]34 238733623 CEJQKJBSKCWBSS-YXWPRPJZSA-N 352.434 2.430 5 1 FEBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 26378869 CVXKLRNQSFWADW-GFCCVEGCSA-N 364.379 2.259 5 1 FEBF Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3cc(F)ccc3nc-2c1=O 13755554 JYXSMZRHNZELBP-UHFFFAOYSA-N 356.744 2.377 5 1 FEBF COC(=O)[C@H]1C[C@]23C=CC(=O)[N+]4([O-])CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]34 238753259 VTAIVRQLMMPUKI-DQVQKLERSA-N 366.417 2.245 5 1 FEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cncc(Cl)c3[nH]2)cc1 586920784 YDQXDQNSGBTETH-UHFFFAOYSA-N 352.759 2.493 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)nc3[nH]2)[C@H]1C[N+](=O)[O-] 587263378 MEWPBKKCNVPQCK-HLTSFMKQSA-N 367.203 2.381 5 1 FEBF COc1c2n(C)ccc3c-2n(c(=O)c1=O)c1ccc(Br)cc31 1772647081 WHIPNJZITSRCJU-UHFFFAOYSA-N 359.179 2.465 5 1 FEBF COC[C@](C)(O)[C@H]1Cc2c(cc(OC)c3c(=O)c4cccc(O)c4oc23)O1 14682396 QAPTUHVMENLAPV-QRWLVFNGSA-N 372.373 2.361 5 1 FEBF biogenic Cc1nn(CC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1[N+](=O)[O-] 587652859 LKSHVGOBEHTTDT-UHFFFAOYSA-N 361.745 2.112 5 1 FEBF CN1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 28647711 XTKUJSJORUWFJY-ARFHVFGLSA-N 353.334 2.071 5 1 FEBF O=C(O)c1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587269640 KPQPHFBHEBYTMO-UHFFFAOYSA-N 350.294 2.417 5 1 FEBF CCCNC[C@H](O)COc1cc(O)c2c(=O)c3cccc(OC)c3oc2c1 96933346 NMZVGIDPMPHLGZ-LBPRGKRZSA-N 373.405 2.400 5 1 FEBF COc1c(OC)c(OC)c2c(c1O)c(=O)c1cc([N+](=O)[O-])ccc1n2C 26646883 AYESHHFLDYCLEQ-UHFFFAOYSA-N 360.322 2.331 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@H](NCc1cccc(OC(F)(F)F)c1)C2 1772624099 QRBVBOWNICNJFJ-SNVBAGLBSA-N 358.276 2.241 5 1 FEBF CS(=O)(=O)c1cc(-c2nc3ccnc(O)c3[nH]2)cc([N+](=O)[O-])c1Cl 586928178 YTCXSNBWBCNLER-UHFFFAOYSA-N 368.758 2.296 5 1 FEBF N=C(N)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587091645 HEHQHPYNIGTPTO-UHFFFAOYSA-N 353.264 2.181 5 1 FEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587267887 TWJWUTCMRGSKCL-CYBMUJFWSA-N 370.413 2.418 5 1 FEBF COc1ccc2c(c1)c(=O)c1c(NCCCN(C)C)ccc3nnn2c31 102195922 TWDFTEZLFADHCE-UHFFFAOYSA-N 351.410 2.206 5 1 FEBF O=c1[nH]n(Cc2ccccn2)c(=O)c2c(O)c3ccc(Cl)cc3nc12 13553675 HCXLFCARRRQPOB-UHFFFAOYSA-N 354.753 2.040 5 1 FEBF COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3[C@H]1O)OCO4)[N+](C)(C)CC2 15219626 KPRRRNIGFQZOTJ-RTWAWAEBSA-O 370.425 2.247 5 1 FEBF O=C(O)COCC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 299833701 IESBBFPKQVACFF-UHFFFAOYSA-N 370.321 2.178 5 1 FEBF O=C(/N=c1\[nH]c2cc(F)ccc2n1CCCO)c1cccc([N+](=O)[O-])c1 3816049 PRXJAIUVBVCFPL-UHFFFAOYSA-N 358.329 2.140 5 1 FEBF COc1cc(O)c2c(=O)c3cccc(O)c3oc2c1CC[C@H](O)C(C)(C)O 95913889 XETIWBSPMJOXJJ-HNNXBMFYSA-N 374.389 2.430 5 1 FEBF biogenic,in-vitro C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261357 BLQJYTVKHDXZNW-SZEHBUNVSA-N 367.203 2.381 5 1 FEBF CNC1=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C(C)C1 836447 SKKRMJJARVELPV-HNNXBMFYSA-N 360.366 2.218 5 1 FEBF COc1cncc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12 587118567 RMQQRJIVXUOIJX-UHFFFAOYSA-N 356.264 2.447 5 1 FEBF Cc1c(F)c(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@H]([N+](=O)[O-])[C@H]3O 169342985 HPNBHFATRZNCTR-NHYWBVRUSA-N 365.313 2.373 5 1 FEBF CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 621471731 QXJZFXFCQCOXAS-MKVLZVNKSA-N 358.310 2.450 5 1 FEBF O=[N+]([O-])c1ccn(CCCc2nc3cc(Br)cnc3[nH]2)n1 587273008 GRWVXSRJECQKEG-UHFFFAOYSA-N 351.164 2.458 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@H](C[N+](=O)[O-])[C@H]1CC(=O)O)O2 587389241 KCDHSSQMKYIALL-FSAGPHNTSA-N 362.382 2.305 5 1 FEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586920238 GIECMRZSHYQZPU-UHFFFAOYSA-N 362.323 2.353 5 1 FEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCO4)cc1 586920189 FVEQKYIXINAVLP-UHFFFAOYSA-N 361.335 2.174 5 1 FEBF NC(=O)c1cccc2c(N[C@@H](CCO)c3cccc([N+](=O)[O-])c3)ncnc12 169700717 IONRIYXEGHCPEC-HNNXBMFYSA-N 367.365 2.173 5 1 FEBF CCN(C)c1ncc(C(=O)NCCCOC)c(-c2cccc([N+](=O)[O-])c2)n1 82134828 OWWZJAKLORPJKR-UHFFFAOYSA-N 373.413 2.274 5 1 FEBF Cc1noc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1Br 26478803 WBNIPOYXTLRYMD-UHFFFAOYSA-N 362.161 2.455 5 1 FEBF O=[N+]([O-])c1ccc(-c2nnc3n2N[C@@H](c2ccc([N+](=O)[O-])o2)S3)o1 72178182 HWWFQQWKJBDMBD-SNVBAGLBSA-N 350.272 2.296 5 1 FEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(Cl)ncnc2[nH]1 587116658 AIKSWDNEAVGZOS-UHFFFAOYSA-N 361.671 2.487 5 1 FEBF COC(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1OC 587274188 NWXDNUAYFKHFDN-VIFPVBQESA-N 359.342 2.267 5 1 FEBF COC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962898864 OZYGWPDJKZPENU-FUHWJXTLSA-N 360.341 2.223 5 1 FEBF CCOC(=O)c1nc2c(O)nc3cc(C(F)(F)F)c([N+](=O)[O-])cc3n2n1 13532632 OOBDJICWKJLCKX-UHFFFAOYSA-N 371.231 2.087 5 1 FEBF O=C(O)c1cccc2c(=O)c3ccccc3n(C[C@H](O)CN3CCCC3)c12 43016435 FVQFZPLQUXVAKS-CQSZACIVSA-N 366.417 2.310 5 1 FEBF O=Cc1cc(-c2cccc(C(=O)N3CCOCC3)c2)cc([N+](=O)[O-])c1O 169699647 AEEJJANOXYIVHN-UHFFFAOYSA-N 356.334 2.252 5 1 FEBF CCOC(=O)c1ccc(N2C/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)N2)cc1 1857652023 GHHMNZRXDAGSMI-FMIVXFBMSA-N 357.322 2.299 5 1 FEBF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2ncccc2[N+](=O)[O-])N1 963235799 SBNSUPKTDNGRQZ-ZBFHGGJFSA-N 350.334 2.226 5 1 FEBF O=c1c2ccccc2oc2cc(OC[C@H](O)CSCCO)cc(O)c12 71282355 YXSNIAXGRSSZJI-NSHDSACASA-N 362.403 2.117 5 1 FEBF COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)C[N+](=O)[O-] 169325996 RKTHRRBJFPHWFZ-ZWKOTPCHSA-N 370.405 2.023 5 1 FEBF C[C@]12COC(=O)N1C(=O)N(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C2=O 40577176 ZKDOBLOIJSTNBP-GFCCVEGCSA-N 359.216 2.291 5 1 FEBF COC(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1 84619902 JBFPVVBYJNOLOX-UHFFFAOYSA-N 358.306 2.420 5 1 FEBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 587270924 XEVAKFYLYYWXGB-UHFFFAOYSA-N 368.305 2.194 5 1 FEBF CC1CCC(NS(=O)(=O)Cc2nc3cccc([N+](=O)[O-])c3[nH]2)CC1 586952780 LJMLHVGYVHCXHJ-UHFFFAOYSA-N 352.416 2.469 5 1 FEBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)cc1[N+](=O)[O-] 587871943 QNVYYPWLAKPOEI-UHFFFAOYSA-N 359.317 2.418 5 1 FEBF O=CN1c2ccccc2[C@@]23CC[N+]4([O-])CCC[C@]5(CC[C@]12[C@H](C(=O)O)C5)[C@@H]34 238785661 AGZHUPIPORRGEL-SRRBXEMYSA-N 368.433 2.405 5 1 FEBF COc1cc(C[C@H](O)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1OC 1857643822 SJPIBQHORKGBBW-INIZCTEOSA-N 370.365 2.469 5 1 FEBF Cn1nc(-c2ccc(F)cc2)cc1CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 45257004 SMTGHEVWEFXSFU-AWEZNQCLSA-N 373.344 2.309 5 1 FEBF C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@H]1[C@]4(CO)C(=O)OC 253664777 FYFJKVNWEOWJJQ-MEGJFVKKSA-N 369.485 2.418 5 1 FEBF O=c1c2nc([N+](=O)[O-])cn2ccn1Cc1ccc(OC(F)(F)F)cc1 1857615119 YTJBEFHIUNRVAA-UHFFFAOYSA-N 354.244 2.351 5 1 FEBF O=C1CSC[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)N1 587044593 ZPIDBNLBBSDEOJ-SSDOTTSWSA-N 357.189 2.138 5 1 FEBF NS(=O)(=O)c1ccc(Nc2nccc(-c3ccccc3[N+](=O)[O-])n2)cc1 1772637607 MNNLYKPUXRSAHT-UHFFFAOYSA-N 371.378 2.443 5 1 FEBF Cn1c(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cnc1-c1ccc(F)cc1 45317733 YIUZTVPASICYDB-AWEZNQCLSA-N 373.344 2.309 5 1 FEBF Cc1cc2cc3oc4cc(O)cc(C(=O)O)c4c(=O)c3c(O)c2c(=O)o1 85996461 CCARJLWEQGBQOA-UHFFFAOYSA-N 354.270 2.470 5 1 FEBF biogenic Cn1cnc(CS(=O)(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 35075789 NAVDCANYRMNYTG-UHFFFAOYSA-N 360.189 2.065 5 1 FEBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1cnc([N+](=O)[O-])n1 587872506 YZSVPBDWFQOLLF-UHFFFAOYSA-N 374.332 2.318 5 1 FEBF COCCNc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1[N+](=O)[O-] 587262293 PZHNERFWEGARCE-UHFFFAOYSA-N 355.354 2.295 5 1 FEBF CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 6403772 ODNJPFDRXSFWLI-UHFFFAOYSA-N 358.759 2.463 5 1 FEBF COc1ccccc1CNC(=O)[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 8666498 KRLBEGGOJCZUBV-QGZVFWFLSA-N 355.350 2.413 5 3 FEBF COc1c2c(c(O)c3c(=O)c4cccc(O)c4n(C)c13)C[C@H](C(C)(C)O)O2 66077452 QHLDPWBFSQRVLN-GFCCVEGCSA-N 371.389 2.186 5 1 FEBF biogenic O=C(Cn1cc(COc2ccccc2[N+](=O)[O-])nn1)c1ccc(O)cc1 61931053 FBFRRCKZFYDVDD-UHFFFAOYSA-N 354.322 2.354 5 3 FEBF COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])c1ccc2c(O)nc(O)nc2n1 587556751 ZQFDCZLIKXBWJX-FLIBITNWSA-N 368.305 2.058 5 1 FEBF COc1cc([C@@H](O)C(=O)c2cnc3cc([N+](=O)[O-])ccc3n2)ccc1O 6403706 SVZARLQVPMDYQQ-MRXNPFEDSA-N 355.306 2.169 5 1 FEBF N#CN[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 26742828 LNNBQKUBVNOGDP-UHFFFAOYSA-N 359.312 2.409 5 1 FEBF O=C1C[C@@H]2OCC=C3C[N+]4([O-])CC[C@@]56c7ccccc7N1[C@H]5[C@@H]2[C@@H]3C[C@H]64 70454552 ADTDBAKUQAKBGZ-NTWMIIMGSA-N 350.418 2.105 5 1 FEBF biogenic,in-vitro Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CSC(=S)N1CCC(C)CC1 1772604464 CBWSATZVFDSDGM-GFCCVEGCSA-N 358.489 2.211 5 1 FEBF COc1c(O)ccc2c(=O)c3c(O)cc4c(c3oc12)C(C)(C)[C@@H](CO)O4 1857757651 DGPPUQGDNLFZCD-GFCCVEGCSA-N 358.346 2.397 5 1 FEBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnccc2[nH]1 587266785 ORUYEKNFEGNMCA-RTHLEPHNSA-N 358.314 2.308 5 1 FEBF Cc1nn(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] 587652452 FIHBWEKEVRIIFL-UHFFFAOYSA-N 361.745 2.194 5 1 FEBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(O)c2[nH]1 587267387 YFQQWVBJJBCOCH-JMCQJSRRSA-N 374.313 2.014 5 1 FEBF COC[C@@](C)(O)[C@H]1Cc2c(cc(OC)c3c(=O)c4cccc(O)c4oc23)O1 14682395 QAPTUHVMENLAPV-FOIQADDNSA-N 372.373 2.361 5 1 FEBF biogenic O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 586920873 SSBVZFZBVARGFR-UHFFFAOYSA-N 373.350 2.027 5 1 FEBF O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@H](O)CN3Cc3ccccn3)n2)c1 2356840101 DGALWRPPMHNKTE-HOTGVXAUSA-N 367.365 2.348 5 1 FEBF CSc1cccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1 1619726 DXGJAVBSXROSIS-UHFFFAOYSA-N 350.403 2.306 5 1 FEBF C/C=C1/C[N+]2([O-])CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@]4(CO)C(=O)OC 33830931 HRARARDBRKOTJJ-OBKPBRGMSA-N 368.433 2.229 5 1 FEBF COC(=O)c1ccnc2[nH]c(COc3ccc([N+](=O)[O-])c(OC)c3)nc12 587262011 MBRNMZCTMZIARI-UHFFFAOYSA-N 358.310 2.240 5 1 FEBF Cn1cc(C(=O)c2c(-c3cnn(C)c3)[nH]c3cc([N+](=O)[O-])ccc23)cn1 587647918 TUCDTPMVGBXQKX-UHFFFAOYSA-N 350.338 2.441 5 1 FEBF CC[C@](O)(CCO)[C@H]1Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1 2356778255 PXKGYRVTIKTSSM-QRWLVFNGSA-N 372.373 2.184 5 1 FEBF Cc1ncc([N+](=O)[O-])n1C[C@H](O)CSC(=S)N1CCCCCC1 1772624719 XJLONAMPQSWRSQ-LBPRGKRZSA-N 358.489 2.355 5 1 FEBF NS(=O)(=O)c1ccc(F)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587142235 OSYZGICUCJHMHF-UHFFFAOYSA-N 354.294 2.064 5 1 FEBF O=C(N=c1nc2nc(-c3ccccc3)ccn2[nH]1)c1cccc([N+](=O)[O-])c1 1857534995 WSZXSHRBDKCDPK-UHFFFAOYSA-N 360.333 2.374 5 1 FEBF C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@@H]1[C@@]4(CO)C(=O)OC 40943480 FYFJKVNWEOWJJQ-AENJVAMZSA-N 369.485 2.418 5 1 FEBF COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 4103725 KRABACTZJHRREP-XCCSTKFXSA-N 350.396 2.046 5 1 FEBF Cc1nc([N+](=O)[O-])cn1C[C@H](O)CSC(=S)N1CCC[C@@H](C)C1 1772638810 NYTJVRGQICAFPS-PWSUYJOCSA-N 358.489 2.211 5 1 FEBF O=c1c2ccccc2nnn1Cc1cc[n+](Cc2ccccc2[N+](=O)[O-])cc1 1857610857 IPAFJSSJLYZZPQ-UHFFFAOYSA-N 374.380 2.084 5 1 FEBF COc1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(OC)c([N+](=O)[O-])c1 587261068 RMEZSOQNDLZGGN-UHFFFAOYSA-N 370.321 2.486 5 1 FEBF CC(=O)Nc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1[N+](=O)[O-] 962898096 FCNXLANYWWBRBS-RDJZCZTQSA-N 373.340 2.381 5 1 FEBF Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)cc1 653795389 XIISVHFWHGKNPH-UHFFFAOYSA-N 365.411 2.003 5 1 FEBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587274132 GCUMMSAUHBSVCS-UHFFFAOYSA-N 366.131 2.332 5 1 FEBF COC(=O)c1cc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc([N+](=O)[O-])c1 962897833 CZXLXRLGOJUPLW-GOEBONIOSA-N 374.324 2.209 5 1 FEBF Cc1nc([N+](=O)[O-])cn1C[C@@H](O)CSC(=S)N1CCC[C@H](C)C1 1772638808 NYTJVRGQICAFPS-CMPLNLGQSA-N 358.489 2.211 5 1 FEBF CC(=O)/N=c1/n(C)c2ccccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1 29127714 KINDVBHJJRWAHG-HNENSFHCSA-N 352.350 2.218 5 1 FEBF COCCOc1ccc(-c2nc3cccc(C(N)=O)c3[nH]2)cc1[N+](=O)[O-] 587264789 JWYNJVGQESTIBC-UHFFFAOYSA-N 356.338 2.262 5 1 FEBF Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCN(CCO)CCO 1772651041 OJXGDCVVEXNSPG-UHFFFAOYSA-N 368.477 2.448 5 1 FEBF COC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962898869 OZYGWPDJKZPENU-WMZOPIPTSA-N 360.341 2.223 5 1 FEBF N[C@H](N=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587270267 UGSUKOJXNGNFKO-OAHLLOKOSA-N 364.325 2.443 5 1 FEBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(Br)nc3[nH]2)n1 587274670 YHCZQNYTPPMSAK-UHFFFAOYSA-N 351.164 2.458 5 1 FEBF CCOC(=O)[C@H](C[C@@H]1C(=O)C2CCN1CC2)C(=O)c1ccc([N+](=O)[O-])cc1 64254266 NIKBGARVJSHMFV-HZPDHXFCSA-N 374.393 2.010 5 1 FEBF CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC/C=C/c1ccc([N+](=O)[O-])cc1 26014234 GACNQDOXLVPFKD-MEQKGCOVSA-N 367.405 2.472 5 1 FEBF COC(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1OC 587267876 TTXYRTOWMDMWHB-SECBINFHSA-N 359.342 2.381 5 1 FEBF CCN(CC)CCOC(=O)c1ccc2nc3ccc(OC)cc3c(=O)n2c1 29391327 OUNMDQGVAGJXJI-UHFFFAOYSA-N 369.421 2.355 5 1 FEBF COC(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 587263482 AFAQVTVGOMVHKR-NSHDSACASA-N 356.338 2.206 5 1 FEBF COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1OC=C[C@@]41O 6019184 QRARGUIFAGCOOA-RTBURBONSA-N 354.314 2.413 5 1 FEBF biogenic O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)nn2)c1 587269194 ICDYBJBQKFARME-UHFFFAOYSA-N 362.309 2.301 5 1 FEBF CC[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc([N+](=O)[O-])cn1 587652745 HNROTZKUFXJJBS-ZDUSSCGKSA-N 361.745 2.446 5 1 FEBF N=C(N)c1cccc(-c2cc(-c3ccc(C(=N)N)cc3[N+](=O)[O-])on2)c1 28643882 MKCZRXJBAALQML-UHFFFAOYSA-N 350.338 2.485 5 1 FEBF O=S(=O)(c1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCOCC1 1857765959 VBJSNSGMZSLMAR-UHFFFAOYSA-N 368.418 2.285 5 1 FEBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)C(=O)[C@@H](O)C(C)(C)O2 40867161 HPSMPQLXGNXKOB-LJQANCHMSA-N 353.374 2.415 5 1 FEBF Cc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1C 587273416 SRTSLWRBNOCQRV-HOTGVXAUSA-N 370.365 2.121 5 1 FEBF O=C(O)C[C@H]1OCC=C2C[N+]3([O-])CC[C@]45c6ccccc6N[C@@H]4[C@@H]1[C@H]2C[C@H]53 102833482 LKMZZBZFIQDLES-VCMMOVJXSA-N 368.433 2.255 5 1 FEBF O=c1c([N+](=O)[O-])c(NCCc2ccc(Cl)cc2)nc2scnn12 1857613179 UHAKXUBIVCJQPB-UHFFFAOYSA-N 351.775 2.367 5 1 FEBF Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CSC(=S)N1CCC[C@@H](C)C1 1772641525 PBDSGXQJJPUKNT-ZYHUDNBSSA-N 358.489 2.211 5 1 FEBF COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)=NN(C)C(=O)C2 28261140 HJLKOXCZDNIFNA-UHFFFAOYSA-N 355.350 2.379 5 1 FEBF CCCC[C@@H](Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-])[C@H](C)O 27194476 HJFBVCZUTHYPEP-VHSXEESVSA-N 355.395 2.492 5 1 FEBF Cc1nc(C)c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1C 42888737 LOVCMHGAXNVELN-UHFFFAOYSA-N 369.425 2.268 5 1 FEBF CCS(=O)(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587267800 RCXBTUNVANMDAO-SNVBAGLBSA-N 363.399 2.379 5 1 FEBF CN(C)CCNC(=O)c1cccc(C(=O)Nc2ccccc2)c1[N+](=O)[O-] 1627731 UKVCRKTZGCLQLW-UHFFFAOYSA-N 356.382 2.139 5 1 FEBF CCOC(=O)Cc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587261626 CUHBJGFNJXSXSL-XBFCOCLRSA-N 373.409 2.329 5 1 FEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)nn2)c1 587269121 GSYMUQNGRCIJQC-UHFFFAOYSA-N 352.270 2.022 5 1 FEBF C[C@@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276647 NLKCMJZTHYYCJZ-LBPRGKRZSA-N 355.402 2.029 5 1 FEBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(O)nc(O)nc4[nH]3)c2)c1 587268823 BKARZQUZEBDLFB-UHFFFAOYSA-N 350.294 2.401 5 1 FEBF COc1ccc(Cn2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1772574134 IQBMHPWTPJKGKJ-UHFFFAOYSA-N 356.298 2.213 5 1 FEBF CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cnc([N+](=O)[O-])c3)[C@@H]2CC1 96910784 NVZQRTSHUVNHRU-GYNLQCIHSA-N 359.382 2.237 5 1 FEBF CC(=O)O[C@@H]1[C@H]2[C@H]3C[C@H]4C5=Nc6ccccc6[C@]51C[C@@H]2[N+]4([O-])[C@@H](C)[C@@H]3CO 238789765 IZUNKTAHEFNYCJ-QIJASBNMSA-N 368.433 2.058 5 1 FEBF COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)=NN(C)C(=O)C2 28261299 NSYNMKLIUFYQED-UHFFFAOYSA-N 355.350 2.379 5 1 FEBF O=[N+]([O-])c1ccc(CCN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 26728919 FRGZJNWWOANSTI-UHFFFAOYSA-N 357.370 2.263 5 1 FEBF Cc1onc(-c2nc3nccc(N)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587078741 AMHSIFCJMYTIMU-UHFFFAOYSA-N 374.748 2.310 5 1 FEBF COc1cccc2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1[C@H]4OC[C@]1(C)O 28473075 NAOMBKOSLWWBDZ-OTWHNJEPSA-N 356.330 2.244 5 1 FEBF CCCNC[C@@H](O)COc1cc(O)c2c(=O)c3cccc(OC)c3oc2c1 96933347 NMZVGIDPMPHLGZ-GFCCVEGCSA-N 373.405 2.400 5 1 FEBF N=C(N)NCCC[C@@H](NCc1c2ccccc2nc2ccccc12)C(=O)O 5615963 FVMRGTYRGOCMEN-GOSISDBHSA-N 365.437 2.194 5 1 FEBF N[C@H](Cc1cc(-c2cc(O)ccc2O)c(Cl)c([N+](=O)[O-])c1)C(=O)O 1857761834 XSAWTCPSWFHFII-LLVKDONJSA-N 352.730 2.281 5 1 FEBF Cc1onc(-c2nc3cnc(N)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080216 SKSJHPFMMCVRIS-UHFFFAOYSA-N 374.748 2.310 5 1 FEBF NC(=O)c1cccc2c(N[C@H](CCO)c3cccc([N+](=O)[O-])c3)ncnc12 169700718 IONRIYXEGHCPEC-OAHLLOKOSA-N 367.365 2.173 5 1 FEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccnc(F)c3)cn1)C2 66251274 UQECJRUDQFNKPH-AWEZNQCLSA-N 371.328 2.365 5 1 FEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(Br)c(O)c2[nH]1 587272924 BKRLJTVBDGFTOT-UHFFFAOYSA-N 352.148 2.492 5 1 FEBF CCOc1ccc([C@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc1 96929456 CWHICBRZORJFCP-QGZVFWFLSA-N 373.369 2.389 5 1 FEBF Cn1nccc1C(=O)c1c(-c2ccnn2C)[nH]c2cccc([N+](=O)[O-])c12 587647397 GTRBZFVZHDRMEH-UHFFFAOYSA-N 350.338 2.441 5 1 FEBF CN(C)CCN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21 26576719 FIGUZKDKRDZRIW-UHFFFAOYSA-N 352.394 2.340 5 1 FEBF O=[N+]([O-])c1ccc(C=c2nc(O)c(=Cc3ccc(Cl)cc3)nc2O)cc1 253637998 MXUQYPLKRWOCEX-UHFFFAOYSA-N 369.764 2.107 5 1 FEBF CC(C)CN(CC(C)C)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-] 58592353 XUINYTUWSNQCGF-UHFFFAOYSA-N 374.419 2.269 5 1 FEBF O=C(C1CCCCC1)N1CC(=O)N2CCc3ccc([N+](=O)[O-])cc3[C@@H]2C1 28823651 XUBJLWPYSUCWCD-KRWDZBQOSA-N 357.410 2.443 5 1 FEBF O=[N+]([O-])c1nc2n(n1)C[C@@H](OCc1ccc(OC(F)(F)F)cc1)CO2 40892095 GYJUMJNTXHCSKW-SNVBAGLBSA-N 360.248 2.063 5 1 FEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(CCO)cc4[nH]3)nn2)c1 587269833 PMRQPXMGCSADOX-UHFFFAOYSA-N 350.338 2.254 5 1 FEBF COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2n1 587091953 JWXOVRFXJAOCMO-UHFFFAOYSA-N 370.247 2.079 5 1 FEBF CC[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc([N+](=O)[O-])cn1 587652744 HNROTZKUFXJJBS-CYBMUJFWSA-N 361.745 2.446 5 1 FEBF CCOc1ccc([C@@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc1 96929457 CWHICBRZORJFCP-KRWDZBQOSA-N 373.369 2.389 5 1 FEBF Cc1cc2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2cc1[N+](=O)[O-] 586936523 RBFYWGUQPHNBCO-UHFFFAOYSA-N 363.399 2.461 5 1 FEBF O=C(NCCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 13456461 WLSODALTPJSICT-UHFFFAOYSA-N 353.334 2.323 5 1 FEBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnccc2[nH]1 587266783 ORUYEKNFEGNMCA-RMLUDKJBSA-N 358.314 2.308 5 1 FEBF COC(=O)c1c2nc3c(C(=O)OC)ccc(C)c3oc-2c(C)c(=O)c1N 95585494 GQIPYCKXCGZSCD-UHFFFAOYSA-N 356.334 2.065 5 1 FEBF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(F)cc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587426601 DJHYPPGDJCUYRA-BBATYDOGSA-N 370.292 2.338 5 1 FEBF O=c1[nH]c2cc(C(F)(F)F)c(Br)c([N+](=O)[O-])c2nc1O 13743957 HJUBXZRWBQTYMG-UHFFFAOYSA-N 354.038 2.318 5 1 FEBF O=C(N[C@H]1CCCCNC1=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086284 FSDORRKWWAAKOC-NSHDSACASA-N 360.395 2.117 5 1 FEBF O=C(O)c1cccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 586920764 QPUCLVBDRVTIEN-UHFFFAOYSA-N 361.335 2.143 5 1 FEBF Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652901 NLWDDHMGOXJNPZ-SECBINFHSA-N 361.745 2.364 5 1 FEBF COc1cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1O 13760660 XAMVDLCXXPEEEG-UHFFFAOYSA-N 369.333 2.289 5 1 FEBF COc1cc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc(OC)c1OC 71334509 FCQFHRMDZZRIPV-UHFFFAOYSA-N 358.306 2.421 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1nn(C)cc1[N+](=O)[O-])O2 587388482 CUBWIOMEHNVBKY-OOFWQKGWSA-N 371.397 2.155 5 1 FEBF COc1cccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587271616 HFDPBSOBTOXDJN-ZDUSSCGKSA-N 369.381 2.378 5 1 FEBF CC(C)[C@@H](CO)NC(=O)COc1ccc2c(=O)c3ccccc3oc2c1 103228904 YHRAHQZZVPYXMS-MRXNPFEDSA-N 355.390 2.458 5 1 FEBF COc1ccc(O)c2c(=O)c3c(NCCN(C)C)ccc4ncn(c12)c43 100754659 IEXSFRBMFDIBCM-UHFFFAOYSA-N 352.394 2.126 5 1 FEBF COc1ccc(-n2nc([N+](=O)[O-])c(=NCCc3ccc(C)cc3)n2O)cc1 263592022 VXEANHMYXGSPLK-UHFFFAOYSA-N 369.381 2.280 5 3 FEBF COCCOc1ccc(-c2nc3ccc(C(=O)OC)nc3[nH]2)cc1[N+](=O)[O-] 587264718 IEKMPWUQWTWGNX-UHFFFAOYSA-N 372.337 2.345 5 1 FEBF CN1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 28647713 XTKUJSJORUWFJY-HRCADAONSA-N 353.334 2.071 5 1 FEBF CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cnc([N+](=O)[O-])c3)c(F)c21 26256012 XZVLQOIDWIQFIT-UHFFFAOYSA-N 364.264 2.092 5 1 FEBF C=C/C1=C\Cc2ccccc2[C@H](C[N+](=O)[O-])C(C(=O)OC)(C(=O)OC)C1 36384609 LQJWLPILMCPRCM-WQMJKPAKSA-N 359.378 2.438 5 1 FEBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587263114 MHFFJETUNNDIFN-UHFFFAOYSA-N 365.353 2.377 5 1 FEBF CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)(C(O)O)CC2=O 587472912 OHQZDGLTFCPLHA-IBGZPJMESA-N 373.361 2.424 5 1 FEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 587268384 UWPJRFOUAXYAQZ-UHFFFAOYSA-N 356.342 2.170 5 1 FEBF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]13 1772574542 VPAIGLONQHAARG-ODZKNYGOSA-N 368.389 2.417 5 1 FEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccnc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263427 MOHMIETUCZKXHL-IWSPIJDZSA-N 367.203 2.381 5 1 FEBF COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])c1ccc2c(O)nc(O)nc2n1 587556750 ZQFDCZLIKXBWJX-DHZHZOJOSA-N 368.305 2.058 5 1 FEBF CNC1=C(C(=O)OC)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C(C)C1 28121528 PRPYMGVAGJGDPW-HNNXBMFYSA-N 360.366 2.218 5 1 FEBF CCOC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587263788 OMFMBZRMUMNQKP-DRZSPHRISA-N 359.382 2.400 5 1 FEBF COC[C@](C)(O)[C@@H]1Cc2c(cc(OC)c3c(=O)c4cccc(O)c4oc23)O1 14682393 QAPTUHVMENLAPV-YWZLYKJASA-N 372.373 2.361 5 1 FEBF biogenic O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1nnc2ccccc21 95577279 YDWZVXIZDHXYDW-UHFFFAOYSA-N 352.354 2.130 5 1 FEBF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 586940985 LZWAGGIQRGHJRT-SREVYHEPSA-N 373.394 2.265 5 1 FEBF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)c1 586935448 HDMKNHZTOAYWRQ-UHFFFAOYSA-N 367.362 2.292 5 1 FEBF Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CN1CCC(Cc2ccccc2)CC1 1772642437 OXQWIDCGEAEFSV-SFHVURJKSA-N 358.442 2.415 5 1 FEBF COc1cc(COC(=O)N2CCCC[C@H]2C(=O)O)c([N+](=O)[O-])cc1OC 5848173 OUMMFGKKQUIMBO-NSHDSACASA-N 368.342 2.188 5 1 FEBF COc1cc2oc(=O)c3ccccc3n3c([C@H]4CCCN4)nc(=O)c(c1)c23 2356553505 CNJSVNCVRSJABJ-CQSZACIVSA-N 363.373 2.387 5 1 FEBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(F)cc([N+](=O)[O-])cc21 587387763 WMKWKPQXQUOSBL-KRWDZBQOSA-N 357.297 2.437 5 1 FEBF CCCC[C@@H](O)[C@H](C)Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-] 27194498 KXDMBILGHSAEAI-GXSJLCMTSA-N 355.395 2.492 5 1 FEBF COC(=O)c1ccccc1-c1ccc(C(=O)CC(=O)C(=O)O)cc1[N+](=O)[O-] 28645799 KDKKTFKJWZJYAG-UHFFFAOYSA-N 371.301 2.275 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cnc3[nH]2)[C@H]1C[N+](=O)[O-] 587261355 BLQJYTVKHDXZNW-JEZHCXPESA-N 367.203 2.381 5 1 FEBF N[C@@H](CCc1nc2cccc(O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587273295 SLBSXDGFJLOUGW-LBPRGKRZSA-N 355.354 2.075 5 1 FEBF O=C(NN1C(=O)CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 84631966 HXIDYKBVCYFFPG-MRXNPFEDSA-N 358.379 2.299 5 1 FEBF Cc1nc2[nH]c(Cn3c([N+](=O)[O-])cnc3C)nc2cc1Br 587274825 UEFIMTYVPRQKAX-UHFFFAOYSA-N 351.164 2.490 5 1 FEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@H]1C[N+](=O)[O-] 587262236 GPCNKCTYXYNDOE-USWWRNFRSA-N 356.382 2.108 5 1 FEBF COc1cc(OS(=O)(=O)O)c2c(cc(O)c3c(=O)cc(C)oc32)c1C 13384042 LZZSHNAMCXXGGT-UHFFFAOYSA-N 366.347 2.459 5 1 FEBF biogenic,in-vitro O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)CN[C@@H](CF)C3)c1 13581973 YVBDFPWDLYAGPR-CQSZACIVSA-N 365.386 2.379 5 1 FEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc5c(cc4[nH]3)OCO5)nn2)c1 587268964 FPBKESMCTIHESM-UHFFFAOYSA-N 350.294 2.448 5 1 FEBF COc1cc(C[C@@H](O)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1OC 1857645976 SJPIBQHORKGBBW-MRXNPFEDSA-N 370.365 2.469 5 1 FEBF COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@@+]2([O-])C[C@@H](C(C)=O)[C@@H]1C[C@@H]32 254010378 DHECBQUIZKPOOU-FXSJQETJSA-N 354.406 2.103 5 1 FEBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cnnc(O)c2[nH]1 587262189 FZDIODPGKXWURY-QMMMGPOBSA-N 373.325 2.318 5 1 FEBF COc1ccc(CCNC(=O)[C@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)cc1 8666500 KKFDLBPFRSCRJM-GOSISDBHSA-N 369.377 2.455 5 3 FEBF O=C(Nc1ccc([N+](=O)[O-])cc1)OCCN1C(=O)c2ccccc2C1=O 28521805 QJVNNCYAELTOME-UHFFFAOYSA-N 355.306 2.440 5 1 FEBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccs1 13863146 XOPIHCPBUCTPGS-JTQLQIEISA-N 370.408 2.320 5 1 FEBF CNc1ccc2cc3ccc4c(c3nc2c1CO)COCN4S(C)(=O)=O 28022432 JBOJZTYLJVAMBU-UHFFFAOYSA-N 373.434 2.176 5 1 FEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587266805 ATVUTSQTCBXCLT-ZETCQYMHSA-N 361.274 2.402 5 1 FEBF NC(=O)c1cccc(C[C@H](N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587259710 HQPDRRWHDXRMAI-NSHDSACASA-N 359.773 2.466 5 1 FEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587274651 RNNZHVQCVVVUCA-SSDOTTSWSA-N 361.274 2.288 5 1 FEBF