smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[N@@+]1(C)CC[C@@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 253690597 NAGNEDWJLLWFMD-LEEZEASISA-N 393.334 4.550 5 1 GJBF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587052076 XRDYNQLZKZETCT-UHFFFAOYSA-N 376.775 4.525 5 1 GJBF O=[N+]([O-])c1ccc(OCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1F 587149452 SOKLKNXNEVRCGI-UHFFFAOYSA-N 379.347 4.982 5 1 GJBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(O)c(-c2ccccc2)c1 587926151 LKCBPFANZVTSAF-OAHLLOKOSA-N 396.443 4.985 5 1 GJBF O=[N+]([O-])c1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1F 587148330 BGXNPBRSOZHDJG-LJQANCHMSA-N 380.354 4.951 5 1 GJBF CCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645725 CDNVPQALKYUGFO-UHFFFAOYSA-N 378.306 4.939 5 1 GJBF Cc1ccc([C@@H]2[C@@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)cc1 1772642994 UWBNRUSVJMEGBI-AUSIDOKSSA-N 384.439 4.911 5 1 GJBF O=C(/C=C/c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] 1911582592 IWNGRHSWCRSUJT-NTCAYCPXSA-N 390.414 4.976 5 1 GJBF O=C(Cc1ccccc1)NCCc1nc2c3ccccc3c3ccccc3c2[nH]1 587228712 QFFXKCFXHWEDHV-UHFFFAOYSA-N 379.463 4.771 5 1 GJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(Br)c(F)c3[nH]2)c1F 587139914 SLZRPYFQQRHRFR-UHFFFAOYSA-N 388.555 4.832 5 1 GJBF CCCN1[C@H](C)Cc2ccccc2[C@@H]1/C(=C/Nc1ccc(OC)cc1)[N+](=O)[O-] 963244610 WUSKEQYYOCCGDU-PEDNONETSA-N 381.476 4.623 5 1 GJBF O=[N+]([O-])c1ccc(-c2nncn2-c2ccc3nc(-c4ccccc4)oc3c2)cc1 103290478 FUMCWIYIWMTQLT-UHFFFAOYSA-N 383.367 4.651 5 1 GJBF O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1-c1ccc([N+](=O)[O-])cc1 34821305 ALONNUQLOZMYJK-UHFFFAOYSA-N 391.814 4.538 5 1 GJBF CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(Cl)c1Cl 66074431 YRCUIVCMRIBNPT-INIZCTEOSA-N 378.215 4.599 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587036707 KGOOBYHBNZTLAE-CYBMUJFWSA-N 396.291 4.674 5 1 GJBF O=c1c(-c2ccccc2)coc2cc3occ(-c4ccccc4)c(=O)c3c(O)c12 653867782 PMGDYKBIQCWLQO-UHFFFAOYSA-N 382.371 4.939 5 1 GJBF O=C1c2ccccc2-c2cc(-c3cc(F)ccc3[N+](=O)[O-])nc3ccc(O)c1c23 586989140 YOLCWZXXGSOLCU-UHFFFAOYSA-N 386.338 4.866 5 1 GJBF CN(C)CCc1c2ncsc2c2c3c(c4ccccc4nc13)C=C[N+]2(C)[O-] 238762373 PZBHLJBFNAFPFJ-UHFFFAOYSA-N 376.485 4.521 5 1 GJBF CCCOc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1Br 587160641 YEORLWONVWIQLS-UHFFFAOYSA-N 394.200 4.829 5 1 GJBF C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 1911573074 SRCKHCDPKMRQCU-JWQCQUIFSA-N 388.531 4.793 5 1 GJBF Cc1ccc([C@@H](C)NC(=O)COc2ccc3c(=O)c4ccccc4oc3c2)cc1 103228896 QRNOUEXPWVKJPP-MRXNPFEDSA-N 387.435 4.511 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 587691135 CGJKOOMWMIIVPT-VPTHRUTESA-N 399.647 4.773 5 1 GJBF Oc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)c(Cl)c1 73160841 RRCCIDQPUXDUMY-UHFFFAOYSA-N 388.818 4.671 5 1 GJBF COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)ccc1Br 586977665 OOCXWTILRUXFTN-XQRVVYSFSA-N 388.221 4.721 5 1 GJBF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccc([N+](=O)[O-])cc1 587105310 XVOQFKZGXHSFJF-UHFFFAOYSA-N 394.386 4.780 5 1 GJBF O=C1C[C@]2(CCc3ccc([N+](=O)[O-])cc3CC2)Oc2c1ccc1c2CCCC1 587510557 BDBHQBOPAIHSKT-HSZRJFAPSA-N 377.440 4.757 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 587546382 QKZPVFKNCNPXHA-XLIONFOSSA-N 397.770 4.657 5 1 GJBF COc1ccc2c(ccn2CCCCCOC(=O)c2cccc([N+](C)(C)C)c2)c1 26996058 REFPWCGHYAJECZ-UHFFFAOYSA-N 395.523 4.874 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586883978 FSWHIFGXPNEBTG-KPZWWZAWSA-N 384.233 4.605 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc([N+](=O)[O-])cc3)cc1)O2 587391662 WTJJTBRDFNJUPC-OAQYLSRUSA-N 390.395 4.984 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1c(O)ccc3cc([N+](=O)[O-])ccc13)CC2=O 587470564 LFVPVIJNPQOXPW-HXUWFJFHSA-N 393.395 4.818 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cccnc3c1[N+](=O)[O-])CC2=O 587471306 PRSZPKOXOMQOGH-GOSISDBHSA-N 378.384 4.508 5 1 GJBF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587749866 ZVIMLECIJUKYQL-BBATYDOGSA-N 393.256 4.603 5 1 GJBF COc1ccc2c(c1)CN1C(=N2)CS[C@H]1c1c(Cl)cccc1[N+](=O)[O-] 6019826 ZOURWWZPLJKIOU-KRWDZBQOSA-N 375.837 4.548 5 1 GJBF O=[N+]([O-])c1cccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587166100 MMEQTZWLDYAAEO-UHFFFAOYSA-N 393.403 4.577 5 1 GJBF O=[N+]([O-])c1ccc([C@@H]2CCCc3c2nc2cccc4c2c3CC4)c([N+](=O)[O-])c1 587210524 DCHWJQJNTCXGTB-INIZCTEOSA-N 375.384 4.618 5 1 GJBF Cc1c([N+](=O)[O-])cccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748989 ZGUYVUBNDZNQDP-YPMLDQLKSA-N 393.256 4.603 5 1 GJBF CCn1c2ccccc2c2cc(/C=C(\[C@H](C)O)n3c([N+](=O)[O-])cnc3C)ccc21 1857753421 AKMIVRUAQPPYHJ-OMBDHMDGSA-N 390.443 4.606 5 1 GJBF CC(C)(C)C(=O)CSc1nc2ccccc2nc1Cc1cccc([N+](=O)[O-])c1 5640385 AKTCSZIVVFYJSH-UHFFFAOYSA-N 395.484 4.836 5 1 GJBF Cc1ccc(-n2cnc3c(sc4[nH]cc5sc(=S)nc-5c43)c2=O)cc1 169720347 WDEUNNDOSSELOW-UHFFFAOYSA-N 382.495 4.528 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc([N+](=O)[O-])c2Cl)N1 587691329 ATGOIAFSLKXOIQ-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF CCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587749889 ZXZREOSOLSKEMP-YPMLDQLKSA-N 393.256 4.682 5 1 GJBF CCOC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645942 FVMYAVJKYMENCR-UHFFFAOYSA-N 378.306 4.939 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2[N+](=O)[O-])N1 587696296 SWFBDDSXWSQGAY-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587784428 HALROJWHFRUGPY-CVEARBPZSA-N 394.434 4.603 5 1 GJBF CC1(C)Oc2c(c3nccnc3c3ccccc23)[C@@H]1n1cc(-c2ccccc2)nn1 96937843 PTIRYWCTCKOJNP-QHCPKHFHSA-N 393.450 4.802 5 1 GJBF Cc1ccc(CN(C(=O)OC2C[C@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)s1 101152343 NAXYIWZRBXAQKX-RTBURBONSA-N 385.553 4.970 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)ccc1[N+](=O)[O-])CC2=O 587464942 ZMGMWGIZEWIWHX-QGZVFWFLSA-N 395.333 4.978 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 587542830 JNHUCUYTRSZVSS-PXNSSMCTSA-N 397.770 4.657 5 1 GJBF CC(C)CN(C(=O)c1ccco1)c1c2ccccc2c(=O)n2c1[nH]c1ccccc12 1857768283 ONKPSRCGLDWVMX-UHFFFAOYSA-N 399.450 4.830 5 1 GJBF O=C1c2ccccc2-c2cc(COc3ccccc3[N+](=O)[O-])nc3ccc(O)c1c23 586987919 VHMIIDSXMSZFKJ-UHFFFAOYSA-N 398.374 4.639 5 1 GJBF O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1coc2cc([N+](=O)[O-])ccc12 587280198 NMHJAUGXJNBLMS-UHFFFAOYSA-N 378.296 4.740 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ccc([N+](=O)[O-])cc13)(C1CCC1)O2 587388390 ARFCFNGWVRSLQS-QFIPXVFZSA-N 391.427 4.628 5 1 GJBF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CC2=O 587473412 UGVPEQBQWLCDAV-QMHKHESXSA-N 395.455 5.000 5 1 GJBF C=Cc1c(OC)c(OC)cc2c1ccc1c3ccc(OC)c(OC)c3c[n+](C)c21 95559056 GHHBDVPUCAUDIJ-UHFFFAOYSA-N 390.459 4.648 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)ccc1[N+](=O)[O-])CC2=O 587462805 QPKTWOYUTPTWJD-IBGZPJMESA-N 375.808 4.787 5 1 GJBF O=[N+]([O-])c1cccc([C@@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)c1 19318909 IFTOJBGVZHGMAL-YMPZKCBVSA-N 388.471 4.542 5 1 GJBF O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587648314 CGGVFESNBHGAEG-UHFFFAOYSA-N 383.363 4.544 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2[N+](=O)[O-])N1 587691821 IQZSFMGKIWLBBG-VPTHRUTESA-N 399.647 4.773 5 1 GJBF O=[N+]([O-])c1cccc2c1NC[C@@H]1C2=NN(c2ccccc2)[C@@H]1c1ccc(F)cc1 1772599933 YOFVLHMYWGMMCQ-XMSQKQJNSA-N 388.402 4.741 5 1 GJBF CCN(CC)CCn1c(Cc2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21 4215423 GPZLDQAEBHTMPG-UHFFFAOYSA-N 386.883 4.531 5 1 GJBF in-man CCOc1ccc2c3cc[n+]4nc(C)c(C)cc4c3n(C(=O)OC(C)(C)C)c2c1 26577672 ZENLTJOWNWHMTI-UHFFFAOYSA-N 392.479 4.727 5 1 GJBF CC(C)CCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 776341 YXXDLPSJXSRGQN-UHFFFAOYSA-N 393.871 4.977 5 1 GJBF O=[N+]([O-])c1ccc([C@@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)cc1 254170093 ZQHNQGAJGJRLCF-MDNUFGMLSA-N 388.471 4.542 5 1 GJBF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)c([N+](=O)[O-])c1 586988027 VSRQCUDZQPCHOC-UHFFFAOYSA-N 398.374 4.741 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])cc3cccnc13)CC2=O 587470189 JCJOVJLOFQNYEQ-IBGZPJMESA-N 378.384 4.508 5 1 GJBF O=[N+]([O-])c1cc(OC(F)(F)F)ccc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963093996 BGWREUMSBLZGTE-UGSOOPFHSA-N 396.340 4.742 5 1 GJBF CC[C@@H](Oc1ccccc1F)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587156237 RCTZFHQDYJCILW-CYBMUJFWSA-N 394.200 4.903 5 1 GJBF O=C1c2ccccc2-c2cc(-c3ccc(F)cc3[N+](=O)[O-])nc3ccc(O)c1c23 586987111 AFXRHRMZFGHKSY-UHFFFAOYSA-N 386.338 4.866 5 1 GJBF COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc([N+](=O)[O-])c1O 587105158 QPPRHKUCDDYSTI-UHFFFAOYSA-N 398.374 4.736 5 1 GJBF O=C(c1c(Cl)cccc1Br)c1coc2cc([N+](=O)[O-])ccc12 587278927 BABXSAGULQNHGQ-UHFFFAOYSA-N 380.581 4.988 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 587542829 JNHUCUYTRSZVSS-FXAWDEMLSA-N 397.770 4.657 5 1 GJBF O=[N+]([O-])c1cccc2[nH]cc([C@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)c12 962721653 WBMIZZBZPDMPLX-LRTDBIEQSA-N 397.475 4.668 5 1 GJBF COc1ccc2cc([C@@H](C)c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)ccc2c1 587935367 UBAADYKDHCXWGT-LLVKDONJSA-N 392.371 4.693 5 1 GJBF COc1cc(C[C@@H](O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 653918590 FRVULPRWSDEMJB-HXUWFJFHSA-N 379.412 4.555 5 1 GJBF COc1cc(C[C@H](O)c2ccc(-c3ccsc3)cc2)c([N+](=O)[O-])cc1OC 1857645894 WEYIASOLEFCQPG-SFHVURJKSA-N 385.441 4.617 5 1 GJBF O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccc(Cl)c(Cl)c1Cl 45353644 DGKVYIKCEJWBLA-UHFFFAOYSA-N 376.583 4.905 5 1 GJBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587072084 VCQILOWCWFCNLS-UHFFFAOYSA-N 380.791 4.766 5 1 GJBF C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 1911575616 SRCKHCDPKMRQCU-RPBOFIJWSA-N 388.531 4.793 5 1 GJBF O=C(O)CCCCCC[C@@H]1CCC[C@H]1NCCCOc1ccc([N+](=O)[O-])cc1 28003463 NLNYYUVVZKHHCF-YLJYHZDGSA-N 392.496 4.547 5 1 GJBF COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1[N+](=O)[O-] 586986933 HQBIHXXURCVATM-UHFFFAOYSA-N 398.374 4.736 5 1 GJBF Cc1c(F)cccc1-c1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc([N+](=O)[O-])c1 587136531 JWBUWYAKEONQCC-UHFFFAOYSA-N 393.334 4.556 5 1 GJBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc([N+](=O)[O-])cc4)s1)[C@@H](C2)C3=O 587453162 VFWLRHNFIRKSTB-YCRPNKLZSA-N 393.420 4.821 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 587692682 LHNDRXZGEOMBIV-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF C[C@@H](N)c1ccc(-c2c(O)cc(Cl)c3nc(O)c4c(O)cccc4c23)cc1 1857588582 TXQYJUPBFIMEFE-SNVBAGLBSA-N 380.831 4.845 5 1 GJBF COc1cccc(CN(C(=O)OC2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)c1 28825410 RLCOOYBGUNLNOM-TYABSZSSSA-N 395.523 4.608 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Cl 587017195 HTVCITNGCATHFL-UHFFFAOYSA-N 398.831 4.850 5 1 GJBF COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587510361 AGHVJIUZXNAZBW-HSZRJFAPSA-N 393.439 4.679 5 1 GJBF CCCN1[C@H](C)Cc2ccccc2[C@@H]1/C(=C\Nc1ccc(OC)cc1)[N+](=O)[O-] 963244609 WUSKEQYYOCCGDU-NPRDNPRVSA-N 381.476 4.623 5 1 GJBF O=[N+]([O-])c1cc2c(Nc3cccc(Br)c3)ncnc2cc1Cl 3815212 DKKLUAKZWKFXMH-UHFFFAOYSA-N 379.601 4.698 5 1 GJBF C[N+]1(CCn2cc(C(=O)c3cccc4ccccc34)c3ccccc32)CCOCC1 13742580 FPWFPHBGBGFVQP-UHFFFAOYSA-N 399.514 4.502 5 1 GJBF CSc1nc2c(cnc3sc4c(=O)n(-c5ccc(C)cc5)cnc4c32)s1 28827149 MIHOPTCNVPPWSH-UHFFFAOYSA-N 396.522 4.635 5 1 GJBF CCOc1ccc(-c2nnc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)o2)cc1 103210251 FASZNIJMEQMWQI-UHFFFAOYSA-N 377.356 4.971 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([N+](=O)[O-])cc1Cl)CC2=O 587462209 NPXVFVUIDYWDNG-IBGZPJMESA-N 375.808 4.787 5 1 GJBF COc1cccc2c1CCC[C@H]2CCC[N+]1(C)CCN(C2CCCCC2)CC1 45319759 BGWHWCHPLYOFHN-NRFANRHFSA-N 385.616 4.990 5 1 GJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCC[N@@+]1([O-])C3 255237809 MUSNTDDWXDJEFG-JBEBIEQOSA-N 379.456 4.552 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587161185 LGTJTASUBSIXOT-GHMZBOCLSA-N 376.185 4.644 5 1 GJBF CCc1cnc(-c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174346 LVNQRKCZCWLUIK-UHFFFAOYSA-N 381.461 4.560 5 1 GJBF CCc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cs2)cc1 587016490 WVVQBJPENRGENO-UHFFFAOYSA-N 395.400 4.732 5 1 GJBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587160172 KBPVYQBINJPVBO-UHFFFAOYSA-N 375.665 4.829 5 1 GJBF O=[N+]([O-])c1cccc2c1NC[C@H]1C2=NN(c2ccccc2)[C@@H]1c1ccc(F)cc1 1772599932 YOFVLHMYWGMMCQ-PGRDOPGGSA-N 388.402 4.741 5 1 GJBF O=[N+]([O-])c1ccc2c(-n3ccnc3)c(-c3ccccc3Br)[nH]c2c1 587644317 UKMVNVSBLNAJKZ-UHFFFAOYSA-N 383.205 4.691 5 1 GJBF O=[N+]([O-])c1cccc2c1CCC[C@]21c2ccsc2CCN1Cc1cccnc1 962999929 SOMYMOKYICCLKE-JOCHJYFZSA-N 391.496 4.690 5 1 GJBF Brc1ccc2oc3nc4ccccc4c-3c(N3CCOCC3)c2c1 95572374 JXORDJXAXXMGOT-UHFFFAOYSA-N 383.245 4.685 5 1 GJBF Cc1ccc([C@H](C)NC(=O)COc2ccc3c(=O)c4ccccc4oc3c2)cc1 103228898 QRNOUEXPWVKJPP-INIZCTEOSA-N 387.435 4.511 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587161186 LGTJTASUBSIXOT-MNOVXSKESA-N 376.185 4.644 5 1 GJBF Nc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cnc2c(F)cccc12 587175795 BEBSVHHYIIPYMP-UHFFFAOYSA-N 380.386 4.596 5 1 GJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc([N+](=O)[O-])cc1C 587860005 LBHTWVSGMZPXMV-UHFFFAOYSA-N 393.230 4.856 5 1 GJBF O=C(Nc1ccc2c(c1)ncn2Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] 40865220 XNLATGADXHMGSW-UHFFFAOYSA-N 387.399 4.637 5 1 GJBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c2ccccc12 473167405 IFNPNABLSPAWJZ-UHFFFAOYSA-N 397.239 4.856 5 1 GJBF COc1ccc(OC)c(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)c1 587645340 RAGBJBAHNZKHGI-UHFFFAOYSA-N 394.305 4.505 5 1 GJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(OC(F)(F)F)cc1 587646353 PQBXEDHGTZXSFQ-UHFFFAOYSA-N 379.294 4.535 5 1 GJBF Cc1c([N+](=O)[O-])cccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748988 ZGUYVUBNDZNQDP-XTZNXHDOSA-N 393.256 4.603 5 1 GJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963115425 VJBQMHOQVMXAFV-KSSFIOAISA-N 380.341 4.863 5 1 GJBF CC1(C)C=Cc2c(cc3oc4cc(O)c5c(c4c(=O)c3c2O)C=CC(C)(C)O5)O1 14766824 CPBXNYZFGKIZDX-UHFFFAOYSA-N 392.407 4.726 5 1 GJBF biogenic,in-vitro CC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743512 AUMIRFHZEKYBHG-VOJFVSQTSA-N 393.256 4.684 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Cl 587116143 PPTSHNXQPPWKJN-UHFFFAOYSA-N 393.712 4.754 5 1 GJBF N[C@@H](N=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587272482 UILOOVOVVZIBOF-IBGZPJMESA-N 389.371 4.654 5 1 GJBF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587433078 NFNPWGWERZOWOL-CVDCTZTESA-N 387.391 4.759 5 1 GJBF Cc1ccc(O[C@@H]2CCC[C@H]2Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 73220859 FZHHRPHZFFMLDK-HUUCEWRRSA-N 383.231 4.984 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)s1)O2 587410015 KJHPMDWQPVFDRU-QGZVFWFLSA-N 380.425 4.920 5 1 GJBF COc1cccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)Cl)c1 587645174 KDIMNTLNKOKSGK-UHFFFAOYSA-N 380.734 4.766 5 1 GJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1[N+](=O)[O-] 587866137 UWROZIABQHMHPE-UHFFFAOYSA-N 377.322 4.865 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3ccc(F)cc3F)[nH]c12 587150283 ROEBIWAXAQKCBY-DUXPYHPUSA-N 380.148 4.682 5 1 GJBF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587431782 GMMMWPUTNDZNMW-WMZHIEFXSA-N 387.391 4.759 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2=O 587464920 ZEBSBJBKZIDLJB-QGZVFWFLSA-N 395.333 4.978 5 1 GJBF COc1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)cc1 587934446 AGMBQFYNPCNHFE-UHFFFAOYSA-N 390.355 4.722 5 1 GJBF CCOc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)cc1 587645341 RCIIHICVQUJALP-UHFFFAOYSA-N 378.306 4.887 5 1 GJBF O=C(c1cc(Cl)nc(-c2ccccc2)n1)c1coc2cc([N+](=O)[O-])ccc12 587280366 UYNXKJQJYPKJSE-UHFFFAOYSA-N 379.759 4.682 5 1 GJBF COC(=O)c1cc(-n2nc(C)c(-c3cccc([N+](=O)[O-])c3)c2C)ccc1Cl 1163157 NYTOKTUYIJWMEI-UHFFFAOYSA-N 385.807 4.504 5 1 GJBF C[C@@H]1CCCN1CCc1cc2cc(CNc3ccccc3[N+](=O)[O-])ccc2o1 13674331 PDXIFJXPEJAFEK-MRXNPFEDSA-N 379.460 4.980 5 1 GJBF CCOc1ccc(-c2nnc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 103210257 RIQWEZPHHNFSPL-UHFFFAOYSA-N 377.356 4.971 5 1 GJBF COC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 587271875 KGGFUCDYONQQAP-UHFFFAOYSA-N 389.367 4.717 5 1 GJBF O=[N+]([O-])c1cncc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159926 YTFPSNGDXOAEQA-GOSISDBHSA-N 398.781 4.827 5 1 GJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)c1 587270910 WSOYNTSYEUSKQV-UHFFFAOYSA-N 395.762 4.762 5 1 GJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Br)cc4[nH]3)c2)c1 587270366 MZXDZPVVFFZAHX-UHFFFAOYSA-N 395.216 4.963 5 1 GJBF COc1ccc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1[N+](=O)[O-] 587510335 AENUWTKNGQCPLC-IBGZPJMESA-N 392.411 4.670 5 1 GJBF O=[N+]([O-])c1cc(OC(F)(F)F)ccc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963093992 BGWREUMSBLZGTE-SCLBCKFNSA-N 396.340 4.742 5 1 GJBF COc1cc(C[C@@H](O)c2ccc(-c3ccsc3)cc2)c([N+](=O)[O-])cc1OC 1857645893 WEYIASOLEFCQPG-GOSISDBHSA-N 385.441 4.617 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2cc1[N+](=O)[O-] 587152741 FFUVUNWUAUMUJQ-UHFFFAOYSA-N 378.319 4.852 5 1 GJBF CCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746772 LEFYRSUMTGJJBD-MGNBDDOMSA-N 393.256 4.682 5 1 GJBF O[C@@H](C[C@H]1CCCCN1)c1cc2cc3c(cc2c2cc(Cl)ccc12)OCO3 169339507 AFJRESZEWIJSHC-QRWLVFNGSA-N 383.875 4.941 5 1 GJBF O=[N+]([O-])c1cccc(-n2c(COc3ccccc3)nnc2SC2CCCC2)c1 95597455 FYRJCGUTLDPNHN-UHFFFAOYSA-N 396.472 4.789 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccccc2[N+](=O)[O-])N1 587743354 APBNRXCNLAZBNH-AGGFGQPTSA-N 391.240 4.785 5 1 GJBF CCc1cnc(-c2cnc(N[C@@H](C)CC)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174699 UJASQLAXQNHNCV-LBPRGKRZSA-N 383.477 4.948 5 1 GJBF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586882605 ZVCCEBCPDCCJSQ-UHFFFAOYSA-N 394.434 4.588 5 1 GJBF Cc1cc2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc2cc1[N+](=O)[O-] 586997468 XJOAEQPHTSXSRC-UHFFFAOYSA-N 390.237 4.856 5 1 GJBF C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc([N+](=O)[O-])cc3)ccc2o1 13674333 JUSSVZPDQWWYHB-MRXNPFEDSA-N 379.460 4.980 5 1 GJBF CCC(C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F 68573023 UNUBAYPAQHDGCX-UHFFFAOYSA-N 378.656 4.708 5 1 GJBF biogenic O=[N+]([O-])c1c(Br)ccc2nc(-c3coc4cc(F)ccc34)[nH]c12 587175897 XSVZWAUWODSHQG-UHFFFAOYSA-N 376.141 4.786 5 1 GJBF CCN(CC)CCn1c2ccc(OC)cc2c2sc3ccccc3c(=O)c21 1857562610 CYDMNUYGOJAJNS-UHFFFAOYSA-N 380.513 4.720 5 1 GJBF Cc1cc(F)ccc1Oc1cc(NN2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] 15936230 PBJYPEOJUPVQDX-UHFFFAOYSA-N 390.371 4.556 5 3 GJBF CC1(C)COc2c(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cccc21 586912476 SWOVTOURMKCWOW-UHFFFAOYSA-N 388.221 4.571 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1[N+](=O)[O-] 587541028 CZTJKGROQXFXBS-PXNSSMCTSA-N 397.770 4.657 5 1 GJBF CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OC(F)F 57825954 WDEQQXMDJGHKTL-XBXARRHUSA-N 375.331 4.642 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1 587547953 OJQHGUKLJGINLX-PXNSSMCTSA-N 397.770 4.657 5 1 GJBF O=C(c1ccccc1)c1c(C(F)(F)Br)[nH]c2cc([N+](=O)[O-])ccc12 587645038 ICVGQFSADFGWGB-UHFFFAOYSA-N 395.159 4.751 5 1 GJBF Cc1cc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587721468 VXOYHSURRGUJDC-VVVCHXIZSA-N 397.219 4.568 5 1 GJBF CCn1c2ccccc2c2cc(/C=C(\[C@@H](C)O)n3c([N+](=O)[O-])cnc3C)ccc21 1857753422 AKMIVRUAQPPYHJ-STCDJXRXSA-N 390.443 4.606 5 1 GJBF CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1OC(F)F 587129147 CNNUVYGQQKTUMB-GQCTYLIASA-N 393.321 4.781 5 1 GJBF CNc1cccc(-c2cccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)c1 587233463 QATXHAGKPOUYMK-UHFFFAOYSA-N 389.371 4.755 5 1 GJBF Fc1ncc(Br)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587178073 OPJGSSIYBNZHGR-UHFFFAOYSA-N 394.207 4.623 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(F)c([N+](=O)[O-])c1)O2 587382340 PXRSQZUDXBJQGO-JOCHJYFZSA-N 392.386 4.534 5 1 GJBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc([N+](=O)[O-])cc4)s1)[C@@H](C2)C3=O 587453161 VFWLRHNFIRKSTB-BTYIYWSLSA-N 393.420 4.821 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2Cl)N1 587695401 NJWBGXZTSHAJOA-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF CC[N+](CC)(CC)Cc1ccc2oc(-c3ccc([N+](=O)[O-])cc3)cc(=O)c2c1 103170625 OVJBBKKLANHHRH-UHFFFAOYSA-N 381.452 4.745 5 1 GJBF Cc1ccc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1F 587146512 ONEYDBJMFWDAJU-PLNGDYQASA-N 376.185 4.852 5 1 GJBF O=C1C[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)Oc2c1ccc1c2CCCC1 587501318 BDEAKQNIRYVTNN-GOSISDBHSA-N 389.354 4.782 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586885439 MUFCSSCAOGDYEN-FZKQIMNGSA-N 384.233 4.605 5 1 GJBF Cc1onc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1COc1ccc(Cl)cc1 587075862 LQOZSKHWJJLAIQ-UHFFFAOYSA-N 384.779 4.667 5 1 GJBF Clc1ccc(C2=C[C@H](c3nc4cc5nc6ccccc6nc5cc4[nH]3)ON2)cc1 587076945 PTNGYBOSJLVKIN-OAQYLSRUSA-N 399.841 4.930 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC2=O 587459040 CFZZYVQDGMYHEN-QGZVFWFLSA-N 395.333 4.978 5 1 GJBF CC1(C)C=Cc2c(cc(O)c3c(=O)c4c5c(c(O)cc4oc23)OC(C)(C)C=C5)O1 13412018 SVAULSXFOCUPQP-UHFFFAOYSA-N 392.407 4.726 5 1 GJBF biogenic,in-vitro COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[C@@H]1CCCN1C3 38796306 ZRGRTHUWZSWRSQ-AWEZNQCLSA-N 393.483 4.548 5 1 GJBF biogenic,in-vitro O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)Oc2c1ccc1c2CCCC1 587513963 WAEWXNYPTIJJQG-QFIPXVFZSA-N 392.455 4.780 5 1 GJBF CCCCCN(CCCCC)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 29484839 HMBMWEPLDCEHPO-UHFFFAOYSA-N 376.906 4.619 5 1 GJBF C[C@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129690 ZLMPFAMKYFLYPH-RXMQYKEDSA-N 391.712 4.806 5 1 GJBF C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342867 QEIKUEWUHPWLBV-UNMCSNQZSA-N 393.370 4.714 5 1 GJBF Cc1oc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587268574 FJWBULJZMVFGAP-UHFFFAOYSA-N 390.115 4.821 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)s1)O2 587410014 KJHPMDWQPVFDRU-KRWDZBQOSA-N 380.425 4.920 5 1 GJBF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587749868 ZVIMLECIJUKYQL-ZMZPIMSZSA-N 393.256 4.603 5 1 GJBF COc1ccc(CCCc2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)c1 587928821 NBLOTUKYSMBNQG-UHFFFAOYSA-N 398.466 4.852 5 1 GJBF CCN(CC)CCn1[nH]c2c3cc(SC)ccc3nc3c([N+](=O)[O-])ccc1c32 27547314 QMAHMSAYJRADKT-UHFFFAOYSA-N 397.504 4.643 5 1 GJBF CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)cc(O)cc3c(=O)c2c1O 42921771 XFOVRUSXFOUQFT-UHFFFAOYSA-N 396.439 4.786 5 1 GJBF biogenic O=[N+]([O-])c1cc(-c2nnc(SCc3ccccc3)o2)cc(C(F)(F)F)c1 1772651663 AIXMLNIHIQKGEF-UHFFFAOYSA-N 381.335 4.956 5 1 GJBF CCCN1[C@H](/C(=C/Nc2ccc(OC)cc2)[N+](=O)[O-])c2ccccc2C[C@H]1C 963244611 WUSKEQYYOCCGDU-VHFLZWFGSA-N 381.476 4.623 5 1 GJBF COc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C 587046184 MKLDVPIBRGBPCA-UHFFFAOYSA-N 375.812 4.835 5 1 GJBF CCC(=O)C(CCCCCCOc1ccc(OC)cc1[N+](=O)[O-])C(=O)CC 32138831 GLPKXELJGVRXIA-UHFFFAOYSA-N 379.453 4.507 5 1 GJBF COc1cc2sc3cc(NCc4ccc(C)o4)ccc3c(=O)c2cc1OC 102832541 GNNKLEDARYCTMA-UHFFFAOYSA-N 381.453 4.945 5 3 GJBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc([N+](=O)[O-])cc4C)o1)[C@@H](C2)C3=O 587431822 HGRGGTQDGKCCET-AOMKIAJQSA-N 391.379 4.661 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(c1cc3cc([N+](=O)[O-])ccc3o1)CC2=O 587470911 MXMCTVMVEULNML-NRFANRHFSA-N 381.384 4.880 5 1 GJBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1cccc(Cl)c1)c1cccs1 13646328 JDOHJHUSZUBART-KRWDZBQOSA-N 377.853 4.621 5 1 GJBF Cc1c2c(NCCCN(C)C)nccc2c(C)c2c1c1cc(O)ccc1n2C 29546290 HAXZJVNGSUXYCM-UHFFFAOYSA-N 376.504 4.566 5 1 GJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc5[nH]c(O)nc5cc4[nH]3)cc2)cc1 587271859 JVZHMECAMBUWDP-UHFFFAOYSA-N 387.355 4.512 5 1 GJBF COc1ccc2c(=O)c3c(sc2c1)c1cc(Cl)ccc1n3CCN(C)C 42922656 BVQCKUOOIXTRSO-UHFFFAOYSA-N 386.904 4.593 5 1 GJBF O=C(O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1ncncc12 66112429 POQHHJKAKAWQES-UHFFFAOYSA-N 384.317 4.639 5 1 GJBF COc1cccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)c1 101152029 RLCOOYBGUNLNOM-SGRGSNTQSA-N 395.523 4.608 5 1 GJBF O=[N+]([O-])c1cccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 587068097 YKYHUONACAEGCO-UHFFFAOYSA-N 379.803 4.951 5 1 GJBF C[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340808 WSRZBYOCZUZXIU-IFMALSPDSA-N 393.370 4.714 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 587693627 FAPGZDZAGHMZFA-ZKANADHPSA-N 399.647 4.773 5 1 GJBF Nc1ccccc1Sc1ccc(CNc2ccc(C(=O)O)cc2)cc1[N+](=O)[O-] 1911570988 CBUCBXBWEDOUSB-UHFFFAOYSA-N 395.440 4.639 5 1 GJBF Cc1ccsc1CN(C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 28825412 LCFLTSGKHHHXPL-YOFSQIOKSA-N 385.553 4.970 5 1 GJBF O=[N+]([O-])c1cccc([C@@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)c1 19319248 IFTOJBGVZHGMAL-MDNUFGMLSA-N 388.471 4.542 5 1 GJBF CC(C)Oc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1Br 587160462 SQJYJOKWAQSWBH-UHFFFAOYSA-N 394.200 4.827 5 1 GJBF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1ccc([N+](=O)[O-])cc1 103232679 KUAUNEPSDUFXSY-FQEVSTJZSA-N 375.380 4.719 5 1 GJBF Cc1cc2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2cc1[N+](=O)[O-] 586914530 SVYBRXHUZQFKLS-UHFFFAOYSA-N 389.367 4.548 5 1 GJBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1[N+](=O)[O-] 587050500 PEYCIXYHXHLXOV-HTQZYQBOSA-N 393.186 4.957 5 1 GJBF O=[N+]([O-])c1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1F 587148328 BGXNPBRSOZHDJG-IBGZPJMESA-N 380.354 4.951 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(C(C)(C)c1ccc([N+](=O)[O-])cc1)CC2=O 587470537 KUVBHHNUMRSPCF-JOCHJYFZSA-N 383.444 4.955 5 1 GJBF CCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587646626 YHSUFQFJAJWQSI-UHFFFAOYSA-N 378.306 4.939 5 1 GJBF CC(C)=CCc1c2c(c3oc4c(O)cccc4c(=O)c3c1O)C(C)(C)[C@H](C)O2 13382739 MSWPZQDOORASGL-LBPRGKRZSA-N 380.440 4.925 5 1 GJBF biogenic COc1c(Cl)cc(Cl)cc1[C@@H](O)c1[nH]c(Cl)c(Cl)c1[N+](=O)[O-] 14684497 VVULWSWLJUXPTK-SNVBAGLBSA-N 386.018 4.627 5 1 GJBF biogenic,in-vitro COc1cc(OC)cc(C(=O)Nc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1 73198752 XSJYOPNWHMWAIG-UHFFFAOYSA-N 378.384 4.531 5 1 GJBF FC(F)(F)CCc1ocnc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587092503 QDTYQHVIZAERFX-UHFFFAOYSA-N 383.333 4.809 5 1 GJBF COc1cc2c3c(c1)O[C@@]1(C(=O)c4cccc5ccc6cccc1c6c45)[C@@H](C2)C3=O 587446748 FCVZJONEFUQNML-AFMDSPMNSA-N 392.410 4.841 5 1 GJBF CC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743508 AUMIRFHZEKYBHG-BBATYDOGSA-N 393.256 4.684 5 1 GJBF COc1ccc2c(ccc3c4ccc(OC)cc4c(NCCCN(C)C)nc23)c1 13600430 SBECIMMSUOMQEU-UHFFFAOYSA-N 389.499 4.922 5 1 GJBF COc1ccc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1 587105141 QBIDEIDVOGWDJI-UHFFFAOYSA-N 396.402 4.954 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 587693623 FAPGZDZAGHMZFA-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF C[C@H](OC(=O)c1ccc(F)cc1)c1cccc2nc3c(C(=O)O)cccc3nc12 29469408 QYEXVWMVCUVVII-LBPRGKRZSA-N 390.370 4.538 5 1 GJBF CS(=O)(=O)Nc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586950773 LSPBPNZUROORHR-UHFFFAOYSA-N 387.464 4.908 5 1 GJBF Cc1ccc(-n2ccnc2SCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(C)c1 586966421 MYVOWEIACXLHOB-UHFFFAOYSA-N 393.472 4.874 5 1 GJBF COc1cc2c3c(c1)O[C@]1(C(=O)c4cccc5cc6ccccc6c1c45)[C@@H](C2)C3=O 587447942 WWJYZCFYBWULRR-AFMDSPMNSA-N 392.410 4.841 5 1 GJBF Cc1c([N+](=O)[O-])cccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748361 WMKPZZLFBCRUHX-YPMLDQLKSA-N 393.256 4.603 5 1 GJBF Clc1ccc(C2=C[C@H](c3nc4c5cccnc5c5ncccc5c4[nH]3)ON2)cc1 587076940 PQAVWSHMGUXJRC-QGZVFWFLSA-N 399.841 4.930 5 1 GJBF CCOC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587265792 SUKQZQKUEMVECS-UHFFFAOYSA-N 377.356 4.575 5 1 GJBF Cc1oc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587268496 APIIUCILAUBNSI-UHFFFAOYSA-N 390.115 4.821 5 1 GJBF COc1ccc(/C=C\Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)c1 587930299 SQCKCCXKAPEPEO-UTCJRWHESA-N 396.450 4.932 5 1 GJBF COc1ccc2c(c1)[C@](c1cccc([N+](=O)[O-])c1)(C(F)(F)F)N(C(C)C)CC2 962092063 MCANMDMSFFONLQ-LJQANCHMSA-N 394.393 4.676 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1ccccc1[N+](=O)[O-])O2 587389987 OPQZGTKSZVYMND-OAQYLSRUSA-N 390.395 4.984 5 1 GJBF CC1(C)C=Cc2c(ccc3oc4cc5c(c(O)c4c(=O)c23)CCC(C)(C)O5)O1 14766819 NVPKQPPECRZGIP-UHFFFAOYSA-N 378.424 4.940 5 1 GJBF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1 587691737 DKGUWJJUEJWACL-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF Cc1ccc([N+](=O)[O-])c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587747619 PAZMBQYGUSULBU-BBATYDOGSA-N 393.256 4.603 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N1 587754387 YIQNBAFHLFJRDP-KDXHWZMMSA-N 391.240 4.785 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 587692680 LHNDRXZGEOMBIV-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF Cc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c(C)s2)cc1 587013248 PZYWDJTVKRDCJF-UHFFFAOYSA-N 395.400 4.787 5 1 GJBF COc1ccc(-c2nc3ccc(-c4nc5cc([N+](=O)[O-])ccc5[nH]4)cc3[nH]2)cc1 26730049 GUUVIWURBOFKQI-UHFFFAOYSA-N 385.383 4.690 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cc1[N+](=O)[O-] 587145566 MRLXWFVDFXICDL-UHFFFAOYSA-N 396.309 4.992 5 1 GJBF CC1=C(/C=C/C(=C/C=C/C(C)=C/C=C/C=C(\C)CO)CO)C(C)(C)C[C@@H](O)C1 238739632 SJIHBBFQZMANOC-GWBNPHFPSA-N 384.560 4.956 5 1 GJBF O=C(c1ccc(F)cc1)c1c(-c2ccccc2O)[nH]c2cccc([N+](=O)[O-])c12 587645827 KURFMPNCDPDFPA-UHFFFAOYSA-N 376.343 4.819 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N1 587754384 YIQNBAFHLFJRDP-IOKPOUQPSA-N 391.240 4.785 5 1 GJBF Cc1ccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1 586988082 YBDJBSIOJQJHPW-UHFFFAOYSA-N 396.402 4.959 5 1 GJBF CCOc1cc(/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1OC(F)F 587130641 NMOAJIYJFGTTGP-CLFYSBASSA-N 375.331 4.642 5 1 GJBF C[N+]1(CCCCCCOc2cc(O)c3c(=O)c4ccccc4oc3c2)CCCC1 299830139 NCQVSOHFXSNWGR-UHFFFAOYSA-O 396.507 4.831 5 1 GJBF O=[N+]([O-])c1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1F 587041921 PTULITLMMNJVAR-UHFFFAOYSA-N 391.449 4.668 5 1 GJBF C[C@@]1(COCc2ccc(-c3ccc(F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772646522 CEJMFBJXLHSSBS-FQEVSTJZSA-N 399.447 4.679 5 1 GJBF CC[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 299813016 OEBGFETZQKYEAP-GFRNBQLOSA-N 376.456 4.897 5 1 GJBF c1ccc(C[C@@H]2N[C@@H](c3nc4cc5nc6ccccc6nc5cc4[nH]3)CS2)cc1 587041320 MVQDLHSMGGEHAV-FGZHOGPDSA-N 397.507 4.606 5 1 GJBF Cc1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1C 587266961 CVUYMXSWZPYBJQ-UHFFFAOYSA-N 375.432 4.617 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O 587462549 OTSYNDKJCJRMCU-IBGZPJMESA-N 375.808 4.787 5 1 GJBF O=C1C[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587513947 VREYQUNHGZQCAA-QFIPXVFZSA-N 388.423 4.971 5 1 GJBF CC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579440 ZZCLSJXIUZVSNN-SIKLNZKXSA-N 391.379 4.568 5 1 GJBF Cc1cc(C)c2nc3c(Br)cc(Br)c(O)c3nc2c1 1857768710 VEDLAMYDYFRECT-UHFFFAOYSA-N 382.055 4.630 5 1 GJBF COc1ccc2cc([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2c1 1857774355 GZKDLJLTNJCZQV-ZDUSSCGKSA-N 375.384 4.958 5 1 GJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1ccc(I)cc1 587646156 VWHFXECGELHXRM-UHFFFAOYSA-N 392.196 4.580 5 1 GJBF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C[C@H]3CCC[N@@+]3([O-])C2)cc1 255226598 LKJDIDQKBASUHE-HOYKHHGWSA-N 381.472 4.504 5 1 GJBF O=C1C[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587513946 VREYQUNHGZQCAA-JOCHJYFZSA-N 388.423 4.971 5 1 GJBF O=[N+]([O-])c1ccc2nc(SCCN3CCC(Cc4ccccc4)CC3)[nH]c2c1 27625418 JCSFRTQDZHPDIT-UHFFFAOYSA-N 396.516 4.518 5 1 GJBF COc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)cc1 101152116 FJEQHMBUGJOIRZ-IUTQVRIDSA-N 395.523 4.608 5 1 GJBF O=C1CS[C@H](c2cc3ccccc3nc2Cl)N1c1cccc([N+](=O)[O-])c1 103168510 JATMFHVZUPTTGM-GOSISDBHSA-N 385.832 4.575 5 1 GJBF CC[N@+](C)(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1 253635843 GHBQNWUSTNMXSR-HSZRJFAPSA-O 391.333 4.536 5 1 GJBF CCCCOc1cc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2cc1Br 587268910 NCZHKJFBCSYRLY-UHFFFAOYSA-N 394.225 4.981 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1Cl 587548337 VXLFZRNJITZDEF-YLJYHZDGSA-N 397.770 4.657 5 1 GJBF COc1cc2c(cc1OCCC(C)C)ncc1c(N)nc3c(C)c(N)ccc3c12 14969858 AVNMSLURWXPXTP-UHFFFAOYSA-N 390.487 4.843 5 1 GJBF COc1ccc(C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3o2)c2ccccn2)cc1 28001442 MMOMWDGIWWFNAX-GOSISDBHSA-N 390.399 4.536 5 1 GJBF COc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1OC 82153505 JBONGJSFPJLWDX-UHFFFAOYSA-N 378.384 4.531 5 1 GJBF Cc1ccc([N+](=O)[O-])c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587746799 LHGAAAIFZVSHMO-VOJFVSQTSA-N 393.256 4.603 5 1 GJBF COc1ccc2c(c1)N=C1CS[C@@H](c3cc([N+](=O)[O-])ccc3Cl)N1C2 6019825 FJLHYKWVDCEEHV-KRWDZBQOSA-N 375.837 4.548 5 1 GJBF O=[N+]([O-])c1ccc2oc(N[C@H](Cc3ccc(F)cc3)c3ccccn3)nc2c1 28008203 YJECZOMEQLVBBG-QGZVFWFLSA-N 378.363 4.666 5 1 GJBF Cc1ccc2c3c(cc(-c4ccc(N)c([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O 587096951 FKVPKFBPYQUJIH-UHFFFAOYSA-N 381.391 4.912 5 1 GJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(C)(C)C)c2[nH]1 587265125 NESJZCKNQACHKV-NSHDSACASA-N 383.408 4.850 5 1 GJBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc([N+](=O)[O-])cc4)cc1)[C@@H](C2)C3=O 587434638 XKJHHQXPBAOWDO-WMZHIEFXSA-N 387.391 4.759 5 1 GJBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587265914 YERSNLPFTPUWHT-SFHVURJKSA-N 398.422 4.726 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(Cl)cc1[N+](=O)[O-])CC2=O 587462516 OOOLAMVGJQALGR-FQEVSTJZSA-N 389.835 4.873 5 1 GJBF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cccc([N+](=O)[O-])c3)c2c1 587641445 FYOJJFSRIPPNLS-LBPRGKRZSA-N 380.400 4.607 5 1 GJBF CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccccc3I)[C@@H]1C2 95562525 JEUMEOHFGKGIFC-IRXDYDNUSA-N 396.336 4.860 5 1 GJBF O=[N+]([O-])c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587001236 MHBRUANUQAXBBZ-UHFFFAOYSA-N 398.216 4.966 5 1 GJBF O=C(c1ccc2nc(Cl)c(Cl)nc2c1)c1coc2cc([N+](=O)[O-])ccc12 587280259 PYMFCRPFWOVIIN-UHFFFAOYSA-N 388.166 4.822 5 1 GJBF O=[N+]([O-])c1ccc([C@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)cc1 19319250 ZQHNQGAJGJRLCF-WWNPGLIZSA-N 388.471 4.542 5 1 GJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 587109746 NCDVVRRBFMFUDE-UHFFFAOYSA-N 391.136 4.783 5 1 GJBF O=C(c1ccc(Br)c(Cl)c1)c1coc2cc([N+](=O)[O-])ccc12 587278944 BRAVEQSZEZWDKY-UHFFFAOYSA-N 380.581 4.988 5 1 GJBF CCN(CC)C(=O)c1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 653850672 GYZDJLAFGXUVQI-UHFFFAOYSA-N 397.471 4.509 5 1 GJBF Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc2c1nc(O)c1ccccc12 1857628982 ZJIJGQSUYGWVGU-UHFFFAOYSA-N 375.268 4.714 5 1 GJBF CCN(CC)CCCNc1[nH]c2ccccc2c2nc3ccc(OC)cc3c1-2 102869095 KMQAOHHPIXCFCC-UHFFFAOYSA-N 376.504 4.973 5 1 GJBF Cc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)s2)cc1 221021016 QLDMGYDRSSVLEF-UHFFFAOYSA-N 388.430 4.622 5 1 GJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)cc1 587272406 SBDBJPQTCDIKHM-UHFFFAOYSA-N 375.340 4.659 5 1 GJBF CC[N+]1(C)CC[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1 1635911 NAGNEDWJLLWFMD-IRJALKPHSA-N 393.334 4.550 5 1 GJBF O=[N+]([O-])c1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1[N+](=O)[O-] 587055816 XUQIEWQLOQUMSK-PLNGDYQASA-N 379.159 4.857 5 1 GJBF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587121621 HRAHINWOMXRPCC-UHFFFAOYSA-N 388.305 4.893 5 1 GJBF CC(C)(C)Oc1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(N)cc1F 587136799 WCFBFOQAMIIXKZ-UHFFFAOYSA-N 378.791 4.690 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2=O 587458754 BGRRWTYPZAHRKR-KRWDZBQOSA-N 395.333 4.978 5 1 GJBF O=C(c1cc([N+](=O)[O-])ccc1Br)c1coc2ccc(Cl)cc12 587275443 AAIXAWJOULRYGX-UHFFFAOYSA-N 380.581 4.988 5 1 GJBF CCN(CC)CCOc1ccc2c(=O)c3ccc(Cl)c(Cl)c3[nH]c2c1 1857547919 XPCSQQXCPJEQBO-UHFFFAOYSA-N 379.287 4.709 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CC2=O 587473526 WYDMCSVMKYUQCG-NRFANRHFSA-N 396.443 4.560 5 1 GJBF CCCOc1cccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587569919 SYNVCAYYKIGXGJ-UHFFFAOYSA-N 390.237 4.613 5 1 GJBF O=C(O)/C(=C/c1cc(OCc2ccsc2)ccc1[N+](=O)[O-])c1ccccc1F 13780357 RSEIVZUEEGPHMZ-LICLKQGHSA-N 399.399 5.000 5 1 GJBF O=C(c1ccc(Cl)c(Br)c1)c1coc2cc([N+](=O)[O-])ccc12 587278932 BDZGBLDTZZPNSU-UHFFFAOYSA-N 380.581 4.988 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 587691133 CGJKOOMWMIIVPT-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF CN(C)CCCCCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21 45353789 JHODAQQDADRGHL-UHFFFAOYSA-N 396.491 4.646 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1F 587111775 HNIGMNUROBEDBD-UHFFFAOYSA-N 376.269 4.844 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Cl 587229906 LLFUMRUTXGJCEF-UHFFFAOYSA-N 379.807 4.799 5 1 GJBF Cc1nc(-c2cc3cc(Oc4ccccc4)cc([N+](=O)[O-])c3[nH]2)sc1C(=O)O 653707133 ANAPLCBLLYRRIC-UHFFFAOYSA-N 395.396 4.999 5 1 GJBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cccc(O)c4oc13)C(C)(C)[C@@H](C)O2 238785425 OILULLINVWDQIN-GFCCVEGCSA-N 380.440 4.925 5 1 GJBF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587035687 YFRRACAHASHBNO-AWEZNQCLSA-N 394.456 4.957 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2[N+](=O)[O-])N1 587698503 QKLNPZQDGQZGOY-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF OC[C@H](NCc1ccc2ccc3cccc4ccc1c2c34)[C@H](O)c1ccccc1 26400221 NRAYOGRHPDEHKT-JYFHCDHNSA-N 381.475 4.768 5 1 GJBF CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587509808 JKADKGCLYOEVEV-JOCHJYFZSA-N 381.428 4.753 5 1 GJBF COc1ccc(Cl)c2c1CCN[C@@]21C=C(Nc2ccccc2[N+](=O)[O-])CCC1 963257970 MPSPLKNJGHVFPN-NRFANRHFSA-N 399.878 4.778 5 1 GJBF CC(C)(C)C(=O)Oc1cc2c(s1)CC[N@+]([O-])(Cc1ccccc1Cl)C2 257838187 JWKGWMSSNIFDDO-NRFANRHFSA-N 379.909 4.924 5 1 GJBF investigational CC[N@+]1(C)CC[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 263603003 NAGNEDWJLLWFMD-ZCVJKFOLSA-N 393.334 4.550 5 1 GJBF COc1ccc(C(=O)c2ccccc2-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1F 587143922 FNCBGYMNOPDAPC-UHFFFAOYSA-N 391.358 4.517 5 1 GJBF COc1cccc(OCc2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)c1 587781057 CWXXTHLLWBIANK-UHFFFAOYSA-N 375.384 4.726 5 1 GJBF O=C(c1ccc([N+](=O)[O-])cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104162 DTDGTIFSMPAQBE-UHFFFAOYSA-N 380.359 4.585 5 1 GJBF CC1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc([N+](=O)[O-])ccc2O1 587512848 OYDUGRLGOYBBEF-HSZRJFAPSA-N 393.439 4.895 5 1 GJBF C[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC(=O)c2ccc3c(c2O1)CCCC3 587513296 RGZAEDBNMSIRQR-QFIPXVFZSA-N 376.412 4.836 5 1 GJBF Cc1c(Br)cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1C 587158227 ARZJOTFFKQEFBN-UHFFFAOYSA-N 394.200 4.569 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)O2 587388462 BYJLRMZXCRYHDV-HXUWFJFHSA-N 378.384 4.760 5 1 GJBF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1nc([N+](=O)[O-])cc1C 587627608 FHWNJCQHNFDBIJ-UHFFFAOYSA-N 392.259 4.916 5 1 GJBF O=C(O)c1cccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12 587273057 ZXMMWNDKJLKKBK-UHFFFAOYSA-N 375.340 4.629 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C)cc3[N+](=O)[O-])o1)O2 587389507 LGVMASFUEAODGM-FQEVSTJZSA-N 378.384 4.760 5 1 GJBF Cc1cccc(-c2cc(Nc3ccc([N+](=O)[O-])c4nonc34)ccc2C(=O)O)c1 1857586575 VBLVDCZNFGLPPA-UHFFFAOYSA-N 390.355 4.548 5 1 GJBF CC/N=c1/cc2oc3cc(NCCCC(=O)O)c4ccccc4c3nc-2cc1C 29057334 IMEGBIJTTINBGK-ULJHMMPZSA-N 389.455 4.592 5 1 GJBF O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1CC[C@H]3O1 101426159 UUGQYFCRDPAFOP-QZTJIDSGSA-N 379.419 4.967 5 1 GJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(F)(F)F)c2[nH]1 587267164 VBRXZOKQDJKYSP-QMMMGPOBSA-N 395.297 4.571 5 1 GJBF O=C(O)c1cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2cc1F 587273018 YUYNWRQVMPWMBD-UHFFFAOYSA-N 393.330 4.768 5 1 GJBF O=C(/C=C/c1c2ccccc2cc2ccccc12)N[C@H](Cc1ccccc1)C(=O)O 95554889 LGVGTMCMZLDDEF-DKUDOZJNSA-N 395.458 4.818 5 1 GJBF Cc1nc(-c2ccccn2)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1 13559876 UVHRIGKJFWKRMQ-UHFFFAOYSA-N 390.428 4.622 5 1 GJBF C[C@]1(CSc2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587534214 XPMFJMRBFSYGGD-OAQYLSRUSA-N 383.469 4.990 5 1 GJBF O=[N+]([O-])c1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1Cl 587127377 RTPMPDHHBDZTIR-UHFFFAOYSA-N 397.700 4.566 5 1 GJBF O=C1C[C@@](Cc2ccccc2[N+](=O)[O-])(C2CC2)Oc2c1ccc1c2CCCC1 587511168 FAQPDRIIJCHWNC-QHCPKHFHSA-N 377.440 4.830 5 1 GJBF COc1cc(C[C@@H](O)c2ccc(-c3cccs3)cc2)c([N+](=O)[O-])cc1OC 653717468 MFYBVZPMJWKTFF-QGZVFWFLSA-N 385.441 4.617 5 1 GJBF C[N+](C)(CCC[N+](C)(C)Cc1ccc(S)cc1)Cc1ccc(S)cc1 73277234 SAPXYTYDIJTRKN-UHFFFAOYSA-P 376.635 4.507 5 1 GJBF Fc1ncc(Br)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587178024 MFIRPFZVKQJGGI-UHFFFAOYSA-N 394.207 4.623 5 1 GJBF COc1cc(C)c2c(=O)c3c(O)c(Cl)c(O)c(Cl)c3oc2c1Cl 14769900 SMLUHOHPDVBXKH-UHFFFAOYSA-N 375.591 4.635 5 1 GJBF biogenic Cc1nc(COc2cccc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c2)cs1 587020222 IOUWPQMCZHYEKO-UHFFFAOYSA-N 380.429 4.790 5 1 GJBF O=[N+]([O-])c1cc(/C=C\c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1Cl 587047283 DYTZSXJQWLSRKD-RQOWECAXSA-N 379.159 4.857 5 1 GJBF O=[N+]([O-])c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587150568 MDVTTWSAXGTGMT-LJQANCHMSA-N 381.338 4.918 5 1 GJBF COc1ccc2c(c(OC)cc3c(=O)cc(-c4ccc(F)cc4)oc32)c1OC 1857567192 UELQOSZTECYCPD-UHFFFAOYSA-N 380.371 4.778 5 1 GJBF O=C1N[C@@H](O)c2c1c1c3cc(Cl)ccc3[nH]c1c1[nH]c3ccc(Cl)cc3c21 14767542 VPAUHAGHNLTFEI-IBGZPJMESA-N 396.233 4.997 5 1 GJBF biogenic CN(C)CCCNCc1c2c3ccccc3nc-2n(C)c2ccc(Cl)cc12 102995747 BORPJWKEENWSMM-UHFFFAOYSA-N 380.923 4.526 5 1 GJBF O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCc2c([nH]c3ccccc23)C1 299820916 INPKLPIXMWUVMT-UHFFFAOYSA-N 387.395 4.535 5 1 GJBF CC1(C)C[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2O1 35983463 VGYSEYVWIATBOW-HNNXBMFYSA-N 391.880 4.837 5 1 GJBF CC(C)=CCc1cc(=O)cc2n(CC=C(C)C)c3cccc(C(=O)O)c3nc1-2 169312186 JFKYKQNFSATCFS-UHFFFAOYSA-N 376.456 4.674 5 1 GJBF COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2c1 586969824 YXFDJRZQSCKEIP-UHFFFAOYSA-N 385.445 4.673 5 1 GJBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(Br)c(O)c3[nH]2)ccc1Cl 587047088 ATCHPYSQQGBUAT-QHHAFSJGSA-N 394.612 4.763 5 1 GJBF COc1ccc([C@H](O)[C@@H](C)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587938667 YMVYAIKXVSPNOJ-MCMMXHMISA-N 384.439 4.505 5 1 GJBF CC1=C[C@@H]2c3c(ccc4oc5cc(O)cc(O)c5c(=O)c34)OC(C)(C)[C@@H]2CC1 13382746 RBXROYGIOKBJIU-UONOGXRCSA-N 378.424 4.968 5 1 GJBF biogenic O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccnc1Nc1ccccc1 73389828 IGRRXZZSQGSYFW-UHFFFAOYSA-N 391.412 4.595 5 1 GJBF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C[C@H]3CCC[N@+]3([O-])C2)cc1 257473842 LKJDIDQKBASUHE-KOSHJBKYSA-N 381.472 4.504 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CC2=O 587473527 WYDMCSVMKYUQCG-OAQYLSRUSA-N 396.443 4.560 5 1 GJBF Cc1occc1Sc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-] 1911574986 VVESRVKWBHJLNT-UHFFFAOYSA-N 383.381 4.577 5 1 GJBF COc1ccc2c(ccc3c4ccc(OC)cc4c(NCCN(C)C)nc23)c1 13600428 ULEGGBUNYFBFCV-UHFFFAOYSA-N 375.472 4.532 5 1 GJBF C1=C[C@@H]2C[C@H]3CC=CCC3=C(c3nnc4nnc5c6ccccc6[nH]c5n34)[C@@H]2C=C1 169300867 YCOPCMNKNJLSFU-BZUAXINKSA-N 392.466 4.636 5 1 GJBF O=[N+]([O-])c1cc(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)ccc1Cl 587047533 KBQITRRBZWOYJR-RQOWECAXSA-N 397.591 4.592 5 1 GJBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587269036 HZVGABZREZIMKK-UHFFFAOYSA-N 399.712 4.535 5 1 GJBF C1=C[C@@H]2C[C@H]3CC=CCC3=C(c3nnc4nnc5c6ccccc6[nH]c5n34)[C@H]2C=C1 98081978 YCOPCMNKNJLSFU-OAGGEKHMSA-N 392.466 4.636 5 1 GJBF Cc1ccccc1NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1O2 103299707 ZWXMFZRTHVPHDJ-UHFFFAOYSA-N 397.412 4.553 5 1 GJBF O=C1c2ccccc2O[C@H](c2ccccc2)[C@]12N=NC[C@@H]2c1ccc([N+](=O)[O-])cc1 653857543 RPTGEOGRBJZGBQ-UEVCKROQSA-N 399.406 4.900 5 1 GJBF COc1cc2c(c3ccc4cc(O)ccc4c13)[C@]1(CCc3cc(O)ccc31)C(=O)O2 13378517 BQMXXGSXHXSQHS-RUZDIDTESA-N 398.414 4.564 5 1 GJBF biogenic CC(C)(C)c1ccc(COc2ccc(-c3cc(C(=O)O)no3)cc2[N+](=O)[O-])cc1 49802758 VQOQDYLJULXJJF-UHFFFAOYSA-N 396.399 4.825 5 1 GJBF CC(=O)Nc1ccc(Cl)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587049400 HWSFEPVABYUURN-UHFFFAOYSA-N 387.830 4.938 5 1 GJBF COc1cc(C[C@H](O)c2ccc(-c3ccc(C)cc3)cc2)c([N+](=O)[O-])cc1OC 653708463 KVRIOBMGNXKJCV-NRFANRHFSA-N 393.439 4.864 5 1 GJBF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587121824 MJHDASKNQMKFIT-UHFFFAOYSA-N 388.305 4.893 5 1 GJBF CC(C)Oc1ccc(OC(C)C)n1-c1cccc(Br)c1[N+](=O)[O-] 587936457 JFUXBQWVUWLHMT-UHFFFAOYSA-N 383.242 4.722 5 1 GJBF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 587272614 WNTYUDILRBUSJA-IBGZPJMESA-N 389.371 4.654 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccccc1[N+](=O)[O-])CC2=O 587472893 OCUMZHPJBFTBQY-NRFANRHFSA-N 392.411 4.750 5 1 GJBF O=C(O)c1cccc2c(-c3nc4ccccc4[nH]3)c(-c3cccc([N+](=O)[O-])c3)[nH]c12 587638606 STDSRRXGROCADC-UHFFFAOYSA-N 398.378 4.985 5 1 GJBF COc1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c2)cc1O 587786655 NLDRHKGPSNTKCU-UHFFFAOYSA-N 375.384 4.828 5 1 GJBF COc1cccc(C(=O)O)c1Nc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 84705676 JHJKRRSNWVIAJA-UHFFFAOYSA-N 394.383 4.624 5 1 GJBF CC(C)COc1cccc(OCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587566120 WGFBHAHJNRLURC-UHFFFAOYSA-N 375.812 4.738 5 1 GJBF O=[N+]([O-])c1cc(OC(F)(F)F)ccc1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963092961 BGWREUMSBLZGTE-ACJLOTCBSA-N 396.340 4.742 5 1 GJBF CCCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@+](C)([O-])[C@@H]1N2C 261191436 ZILUEQLFAVLYQS-RZPFDVGOSA-N 395.503 4.632 5 1 GJBF C[N@+]1([O-])c2ccccc2-c2cc(/C=C/Oc3ncccc3-c3cncnc3)cnc21 299849327 JIBUJZSHYBDUPZ-ITKCEANPSA-N 395.422 4.730 5 1 GJBF O=[N+]([O-])c1cnc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 587063494 OKMBNJIOJFKSHS-UHFFFAOYSA-N 380.791 4.766 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1 587691739 DKGUWJJUEJWACL-VPTHRUTESA-N 399.647 4.773 5 1 GJBF O=[N+]([O-])c1cc(-c2noc(-c3ccc(O)cc3)n2)ccc1Oc1ccccc1 653767613 GWXROFJXPUVZTF-UHFFFAOYSA-N 375.340 4.810 5 1 GJBF COc1ccc2c(c1)N=C1CS[C@H](c3cc([N+](=O)[O-])ccc3Cl)N1C2 1865075 FJLHYKWVDCEEHV-QGZVFWFLSA-N 375.837 4.548 5 1 GJBF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587109500 WJCKIBNWRMEDDI-UHFFFAOYSA-N 385.685 4.509 5 1 GJBF CN(C)C(=S)Oc1cccc(-c2cc(=O)c3ccc4ccccc4c3o2)c1 1857570001 XGUGZADSOZZDJC-UHFFFAOYSA-N 375.449 4.839 5 1 GJBF CCc1cnc(-c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163554 IBPNWSDTCKMWMR-UHFFFAOYSA-N 381.461 4.560 5 1 GJBF CCCN1CCc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)C1 95578175 LUGHKASLZDFZHW-UHFFFAOYSA-N 395.499 4.796 5 1 GJBF Cc1nn(Cc2ccccc2-c2nc3cnc4ccccc4c3[nH]2)c(C)c1[N+](=O)[O-] 587267121 FRXAHDWBBRSZEO-UHFFFAOYSA-N 398.426 4.548 5 1 GJBF O=C(c1cc2c(ccc3ccccc32)oc1=O)c1coc2cc([N+](=O)[O-])ccc12 587280196 NLDYMHGTUPIFSJ-UHFFFAOYSA-N 385.331 4.832 5 1 GJBF O=c1c2ccccc2oc2cc(OCCCCCCN3CCCC3)cc(O)c12 299823334 FDTJVJAPUIJMGT-UHFFFAOYSA-N 381.472 4.687 5 1 GJBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Cl 587265626 RJYMRPMXPQIMAR-UHFFFAOYSA-N 384.735 4.960 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1cc3c([N+](=O)[O-])cccc3cn1)CC2=O 587470492 KFTBBBCRVVKKQH-FQEVSTJZSA-N 378.384 4.508 5 1 GJBF Cc1cc(Br)ccc1OCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586980975 HYQCWOHNYAPALT-UHFFFAOYSA-N 396.628 4.774 5 1 GJBF Cc1ccc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1F 587146513 ONEYDBJMFWDAJU-SNAWJCMRSA-N 376.185 4.852 5 1 GJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587269305 LABVESFJYSPHML-UHFFFAOYSA-N 392.337 4.637 5 1 GJBF CCCc1c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cnn1-c1ccccc1 587279536 KNANAIGBVPCTLO-UHFFFAOYSA-N 375.384 4.710 5 1 GJBF CC1(C)C[C@@]2(CC(C)(C)c3ccc(O)c([N+](=O)[O-])c32)c2cc(O)c([N+](=O)[O-])cc21 26163267 MCRHMHKHIGHINP-NRFANRHFSA-N 398.415 4.563 5 1 GJBF Cc1c(Br)cnc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587047508 JIBKOFQHWYFIAW-HYXAFXHYSA-N 393.628 4.761 5 1 GJBF CCN(CC)CCOc1ccc2c(=O)c3cc(Cl)c(Cl)cc3[nH]c2c1 1857589746 MAGKXDLHIQOYFL-UHFFFAOYSA-N 379.287 4.709 5 1 GJBF CCOC(=O)c1c(-c2ccccc2Br)[nH]c2cccc([N+](=O)[O-])c12 587644157 OLGVWXSNTCJQNO-UHFFFAOYSA-N 389.205 4.682 5 1 GJBF CCOc1cc(/C=C\c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1OC(F)F 587131186 WDEQQXMDJGHKTL-YWEYNIOJSA-N 375.331 4.642 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 587691136 CGJKOOMWMIIVPT-ZKANADHPSA-N 399.647 4.773 5 1 GJBF CC(C)=CCC[C@]1(C)C=Cc2c(cc(O)c3c(=O)c4c(O)ccc(O)c4oc23)O1 13375540 HFJSQHGZXHTCLI-HSZRJFAPSA-N 394.423 4.974 5 1 GJBF biogenic CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cccc([N+](=O)[O-])c3)c2c1 587641444 FYOJJFSRIPPNLS-GFCCVEGCSA-N 380.400 4.607 5 1 GJBF COc1cc(OC)c2[nH]c(-c3cc([N+](=O)[O-])ccc3SCC(C)C)nc2c1 586968692 HSWXXQBRQVAEBT-UHFFFAOYSA-N 387.461 4.903 5 1 GJBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1cccs1)c1ccccc1Cl 28469641 VJERDNPSCOBYQV-KRWDZBQOSA-N 377.853 4.621 5 1 GJBF CCCCCc1cc(=O)c2cc([N+](=O)[O-])ccc2n1Cc1ccc(OC)cc1 1772588533 BLBDCKLPWFKOSV-UHFFFAOYSA-N 380.444 4.699 5 1 GJBF COc1cc2oc3c(Cl)c(O)c(Cl)c(C)c3c(=O)c2c(O)c1Cl 14769924 XDPKSPWTOCTICP-UHFFFAOYSA-N 375.591 4.635 5 1 GJBF biogenic Cc1ccc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1F 587146564 QITUDYYNEPESJY-DAXSKMNVSA-N 376.185 4.852 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2[N+](=O)[O-])N1 587699019 RBHMEJRXSRXMBI-ZKANADHPSA-N 399.647 4.773 5 1 GJBF O=[N+]([O-])c1cncc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587094995 LRZLVCXTVYHPHV-UHFFFAOYSA-N 376.216 4.571 5 1 GJBF C[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccccc1C(F)(F)F 587098692 SFABWIRIRIKPCY-QMMMGPOBSA-N 380.282 4.550 5 1 GJBF O=[N+]([O-])c1cccc(CCc2nc3cc(Cl)cc(Br)c3[nH]2)c1 587270309 LWACPHZNEUVHKD-UHFFFAOYSA-N 380.629 4.672 5 1 GJBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc([N+](=O)[O-])cc1Cl 587866667 INLRHVPMDNFYNR-UHFFFAOYSA-N 398.728 4.523 5 1 GJBF Cc1nc(-c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174348 WYONEOKSBJXQGO-UHFFFAOYSA-N 381.461 4.614 5 1 GJBF O=C(Nc1nc(-c2cccc(OC3CCCC3)c2)cs1)c1ccc([N+](=O)[O-])o1 653870741 QDMZJBPZJNKNCI-UHFFFAOYSA-N 399.428 4.885 5 1 GJBF CCCCCn1c2ccccc2c2cc(C(=O)N3CC[N+](C)(C)CC3)ccc21 96938354 CKXYOBYMFRCWHF-UHFFFAOYSA-N 378.540 4.517 5 1 GJBF CCOC(=O)c1c(-c2ccccc2)n2c3ccccc3c(=O)n2c2ccc(C)cc12 1911585685 ZUDCBIXVKUDTAJ-UHFFFAOYSA-N 396.446 4.858 5 1 GJBF Cc1ccc(-c2nc3sc(C)nn3c2-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 299854780 ANVSTPAWAWWILD-UHFFFAOYSA-N 390.428 4.526 5 1 GJBF NC[C@H](Cc1ccc(Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587068616 ADFWHCOFHVVLPG-AWEZNQCLSA-N 387.874 4.598 5 1 GJBF O=C(c1ccc(F)cc1)c1c(-c2ccccc2O)[nH]c2cc([N+](=O)[O-])ccc12 587645908 OJWGPCXCITWSGP-UHFFFAOYSA-N 376.343 4.819 5 1 GJBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1F 587076677 LREDRYHFHZVMCM-UHFFFAOYSA-N 384.754 4.698 5 1 GJBF O=[N+]([O-])c1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1F 587196908 YZLJVCJXAPYGCE-UHFFFAOYSA-N 376.391 4.817 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1Cl 587135301 WSAGPWPPOZAODZ-UHFFFAOYSA-N 377.706 4.637 5 1 GJBF O=C(c1ccccc1O)c1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645845 MCTXQXPZZXJMJR-UHFFFAOYSA-N 376.343 4.819 5 1 GJBF CCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2483409 AMUZWWVUECLLBS-UHFFFAOYSA-N 379.844 4.731 5 1 GJBF O=[N+]([O-])c1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1 143085295 GBOCYHNQTLBNDS-UHFFFAOYSA-N 382.383 4.825 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1[N+](=O)[O-] 587547347 LVHPYFJHFZUFBA-FXAWDEMLSA-N 397.770 4.657 5 1 GJBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cccc(O)c4[nH]c13)C[C@H](C(C)(C)C)O2 2356456327 ZOTFVFNDKOUSGN-QGZVFWFLSA-N 393.483 4.951 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2cc1[N+](=O)[O-] 587165324 QKKSNWIGDJHYCJ-UHFFFAOYSA-N 384.348 4.914 5 1 GJBF C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342864 QEIKUEWUHPWLBV-IFMALSPDSA-N 393.370 4.714 5 1 GJBF O=C(NCCc1cnc[nH]1)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccccc12 1857536106 LUNXXXRWWYBYCR-UHFFFAOYSA-N 393.450 4.651 5 1 GJBF c1ccc(CNc2nc(NCc3ccccc3)c3nc4ccccc4nc3n2)cc1 1663304 LCHPSBNZHKLZJT-UHFFFAOYSA-N 392.466 4.797 5 1 GJBF COc1ccc2c(c1)[C@@](c1cccc([N+](=O)[O-])c1)(C(F)(F)F)N(C(C)C)CC2 962092061 MCANMDMSFFONLQ-IBGZPJMESA-N 394.393 4.676 5 1 GJBF CC(C)=CCc1c(O)cc2c(c1O)c(=O)c1c(CC=C(C)C)ccc(O)c1n2C 14780679 DYCRIHPNHAPQTH-UHFFFAOYSA-N 393.483 4.826 5 1 GJBF biogenic O=C1CS[C@@H](c2cc3ccccc3nc2Cl)N1c1ccc([N+](=O)[O-])cc1 103168517 FHNGILCCXWPXTI-SFHVURJKSA-N 385.832 4.575 5 1 GJBF CCc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174258 HRRLAEDLYXPLRX-UHFFFAOYSA-N 397.504 4.830 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2[N+](=O)[O-])N1 587699017 RBHMEJRXSRXMBI-VPTHRUTESA-N 399.647 4.773 5 1 GJBF Cc1ccc(-c2cc(O)n(-c3cccc(Br)c3[N+](=O)[O-])c2O)cc1 587937830 ZABRQSYYXWBHMI-UHFFFAOYSA-N 389.205 4.535 5 1 GJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCCC[C@@H]1C3 13378557 ANTGAFQZQJMDNP-OAHLLOKOSA-N 377.484 4.929 5 1 GJBF biogenic COc1ccc2c(c1)c(=O)c1ccccc1n2Cc1nc(-c2ccc(C)cc2)no1 653746449 XOZOYKQEQLSDGA-UHFFFAOYSA-N 397.434 4.570 5 1 GJBF Cc1ccc(-n2ccnc2SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C)c1 586966466 NYFWAOJNQFQJKX-UHFFFAOYSA-N 397.435 4.705 5 1 GJBF O=[N+]([O-])c1cncc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159927 YTFPSNGDXOAEQA-SFHVURJKSA-N 398.781 4.827 5 1 GJBF COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587505490 PIAHMUPRRBSVJH-NRFANRHFSA-N 385.391 4.502 5 1 GJBF Cc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2[N+](=O)[O-])s1 95585315 LPWUOVPVOXZHPP-IBGZPJMESA-N 379.441 4.760 5 1 GJBF Fc1ccc(-c2cnn(Cc3nc4c5cccnc5c5ncccc5c4[nH]3)c2)cc1 587165576 ZYYZRPKEWXNDEG-UHFFFAOYSA-N 394.413 4.710 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1cccc([N+](=O)[O-])c1)O2 587389492 LAMVWZUECGSZSJ-HSZRJFAPSA-N 388.423 4.589 5 1 GJBF O=C(O)Cc1ccccc1Oc1c([N+](=O)[O-])cc(Cl)c(Cl)c1Cl 26387947 QTHOHIPHBLDCQE-UHFFFAOYSA-N 376.579 4.974 5 1 GJBF C[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340811 WSRZBYOCZUZXIU-RBBKRZOGSA-N 393.370 4.714 5 1 GJBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3nc4ccccc4[nH]3)c2c1 1772588015 KKWNPLFMJCNFKF-UHFFFAOYSA-N 388.858 4.960 5 1 GJBF COc1ccccc1N(Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccccc1 1911584558 DUNDXGPNJQDILH-FOCLMDBBSA-N 388.423 4.850 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1Cl 587548332 VXLFZRNJITZDEF-PXNSSMCTSA-N 397.770 4.657 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586883981 FSWHIFGXPNEBTG-XIKOKIGWSA-N 384.233 4.605 5 1 GJBF FC(F)(F)COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccn1 587092071 RIGSSADZXIGHBK-UHFFFAOYSA-N 395.344 4.662 5 1 GJBF COc1cc2oc3oc4c5c(ccc4c(=O)c3c2cc1OC)OC(C)(C)C=C5 238739635 YDVLAWUIRSKWMJ-UHFFFAOYSA-N 378.380 4.894 5 1 GJBF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587035691 YFRRACAHASHBNO-CQSZACIVSA-N 394.456 4.957 5 1 GJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 101152076 LMDNOMYZUIYOBM-PIIMJCKOSA-N 377.555 4.723 5 1 GJBF Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82174110 XPSNJTXJMDMULQ-UHFFFAOYSA-N 391.387 4.529 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)cc1[N+](=O)[O-])CC2=O 587460381 FTTCVQDRVBTFSN-LJQANCHMSA-N 375.808 4.787 5 1 GJBF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccccc1[N+](=O)[O-] 587623327 QBPCLHKRLLUZAR-UHFFFAOYSA-N 385.221 4.614 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccccc2[N+](=O)[O-])N1 587746849 LKXQNAOBDKPMGG-OQVJCZGCSA-N 391.240 4.785 5 1 GJBF COc1ccc([C@H](O)[C@H](C)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587938664 YJIQGHVMOPGDBK-WHEQGISXSA-N 384.439 4.505 5 1 GJBF COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3F)oc12 299866256 VOOIQLGTGQEVNL-UHFFFAOYSA-N 380.371 4.778 5 1 GJBF Clc1ccc(C2=C[C@@H](c3nc4cc5nc6ccccc6nc5cc4[nH]3)ON2)cc1 587076944 PTNGYBOSJLVKIN-NRFANRHFSA-N 399.841 4.930 5 1 GJBF C[C@@H](OC(=O)c1cccc(F)c1)c1cccc2nc3c(C(=O)O)cccc3nc12 29463932 KDSCBCVVFFESBR-GFCCVEGCSA-N 390.370 4.538 5 1 GJBF Cc1ccc(CN(C(=O)OC2C[C@@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)s1 101152353 NAXYIWZRBXAQKX-OALUTQOASA-N 385.553 4.970 5 1 GJBF COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Cl)c1O 587046196 MXCYLUUBDVUTMP-UHFFFAOYSA-N 376.803 4.694 5 1 GJBF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)c1 587051226 ZHPHVKMEKOFIBX-UHFFFAOYSA-N 378.775 4.666 5 1 GJBF O=[N+]([O-])c1cccc([C@@H]2NC(=S)Nc3c2sc2ccc(Cl)cc32)c1 1857534942 MGMRLJYASFFPOJ-ZDUSSCGKSA-N 375.862 4.852 5 1 GJBF O=c1cc(Cc2c3ccccc3nc3ccccc23)c2ccc([N+](=O)[O-])cc2o1 64528209 MSNWDAWRRSWRHO-UHFFFAOYSA-N 382.375 4.993 5 1 GJBF Cc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163710 MEHWPUBJAUAHJW-UHFFFAOYSA-N 393.447 4.560 5 1 GJBF O=C(c1cc(Br)ccc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587279690 OKVHSLYNMNFDMA-UHFFFAOYSA-N 380.581 4.988 5 1 GJBF O=[N+]([O-])c1cc(/C=C/c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1Cl 587047282 DYTZSXJQWLSRKD-DUXPYHPUSA-N 379.159 4.857 5 1 GJBF O=C(O)c1ccc(-c2cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)ccc2F)cc1F 587138437 IQTBOQQDTXTWTK-UHFFFAOYSA-N 395.321 4.782 5 1 GJBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587269382 BPTBQHYMHRACLB-SFHVURJKSA-N 390.468 4.865 5 1 GJBF Cc1cc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587721493 WDRRVHNUSJXSIR-XLFHBGCDSA-N 397.219 4.568 5 1 GJBF COc1ccc2c(c1)CN1C(=N2)CS[C@@H]1c1c(Cl)cccc1[N+](=O)[O-] 1865077 ZOURWWZPLJKIOU-QGZVFWFLSA-N 375.837 4.548 5 1 GJBF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587151615 SXMYJKILFBBHCH-ZETCQYMHSA-N 398.163 4.652 5 1 GJBF CSc1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 587266976 DAKNZNQCGJGDPF-UHFFFAOYSA-N 393.472 4.722 5 1 GJBF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4cc([N+](=O)[O-])c(C)o4)nc3c2)cc1 587268616 HBJGWNJBVXTFRI-UHFFFAOYSA-N 393.355 4.618 5 1 GJBF C[C@@H]1Oc2cc3oc4c(O)c5c(cc4c(=O)c3c(O)c2C1(C)C)C=CC(C)(C)O5 15256054 YNHZDINWEJCMRF-JTQLQIEISA-N 394.423 4.600 5 3 GJBF biogenic,in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc([N+](=O)[O-])cc3)cc1)O2 587391661 WTJJTBRDFNJUPC-NRFANRHFSA-N 390.395 4.984 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1ccc3cc([N+](=O)[O-])ccc3n1)CC2=O 587470571 LKHSVYOYQRJMQW-FQEVSTJZSA-N 378.384 4.508 5 1 GJBF CC(C)=CCc1c2c(c(O)c3c(=O)c4c(O)ccc(O)c4oc13)C=CC(C)(C)O2 14768873 KHYADOQANYCBIQ-UHFFFAOYSA-N 394.423 4.756 5 1 GJBF biogenic,in-vitro COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccccc4)c3oc2c1OC 96935356 ICZOJAIVELMTCG-UHFFFAOYSA-N 392.407 4.648 5 1 GJBF O=[N+]([O-])c1ccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1 587264048 JGCYPQUCCMIBPK-UHFFFAOYSA-N 398.322 4.582 5 1 GJBF CCCCN1Cc2c(c3ccc(OC)cc3c3cc(OC)c(OC)cc23)[C@@H](O)C1 95574557 UNIRICALLXCIJL-NRFANRHFSA-N 395.499 4.668 5 1 GJBF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1 586981192 MAULFQSBELSVIX-UHFFFAOYSA-N 397.232 5.000 5 1 GJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2)cc1 587271570 GNFVQTMSOINAQS-UHFFFAOYSA-N 389.367 4.702 5 1 GJBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc([N+](=O)[O-])c4)cc1)[C@@H](C2)C3=O 587433091 NIYQNPOLWNWKKZ-WMZHIEFXSA-N 387.391 4.759 5 1 GJBF C[C@@H]1CCCN(c2cc3nc(-c4ccccc4)nn4c5ccccc5c(c2=O)c34)C1 95576540 KMPZYVUPUXSUIK-MRXNPFEDSA-N 394.478 4.737 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cc([N+](=O)[O-])ccc1Cl)O2 587376273 RBTKNTCQQIDEMC-IBGZPJMESA-N 397.818 4.636 5 1 GJBF CCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587749887 ZXZREOSOLSKEMP-XTZNXHDOSA-N 393.256 4.682 5 1 GJBF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)(O)[C@@H]2N3C)cc1 13475500 QUIZUXGWWQDPKA-OYICLKKBSA-O 396.511 4.694 5 1 GJBF CCc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174530 ZUZQYOPFUALQSN-UHFFFAOYSA-N 395.488 4.728 5 1 GJBF COCCc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587643642 HXGGPNLJJGYNII-UHFFFAOYSA-N 375.222 4.695 5 1 GJBF CCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587749884 ZXZREOSOLSKEMP-MLCYQJTMSA-N 393.256 4.682 5 1 GJBF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)s1 587022978 HDJYMEXMPGWYSO-UHFFFAOYSA-N 395.828 4.595 5 1 GJBF Cc1oc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)cc1[N+](=O)[O-] 587269649 XSIIFUZFCOKQEJ-UHFFFAOYSA-N 394.225 4.837 5 1 GJBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(Cc2ccccc2)c1C 34034448 CSRPJQSEAQGGNZ-UHFFFAOYSA-N 378.428 4.905 5 1 GJBF Cc1nn(Cc2ccccc2-c2nc3ccc(Cl)cc3[nH]2)c(C)c1[N+](=O)[O-] 587264633 IZVUUABMGYARBN-UHFFFAOYSA-N 381.823 4.653 5 1 GJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)c1 587269429 CIXMUUICHAOAIT-UHFFFAOYSA-N 396.309 4.522 5 1 GJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587270481 ZONXVZMLDXPLQE-UHFFFAOYSA-N 394.328 4.896 5 1 GJBF C[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC(=O)c2ccc3c(c2O1)CCCC3 587513292 RGZAEDBNMSIRQR-JOCHJYFZSA-N 376.412 4.836 5 1 GJBF CCOCc1c(OCC)c2c3c(cc4ccccc4c3c1OC)N(CC)C2=O 238766143 MZXJPBHURNDOQR-UHFFFAOYSA-N 379.456 4.917 5 1 GJBF CC[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 299813015 OEBGFETZQKYEAP-CIQXWFTPSA-N 376.456 4.897 5 1 GJBF O=[N+]([O-])c1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Cl 587132808 VJRVEYDXDXBILA-UPHRSURJSA-N 389.667 4.990 5 1 GJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)cncc3[nH]2)o1 587264156 CFUCNJHBWOUDPX-UHFFFAOYSA-N 385.177 4.556 5 1 GJBF O=[N+]([O-])c1cnc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2c1 587095128 QDGFZPPUMMARDD-UHFFFAOYSA-N 376.216 4.571 5 1 GJBF CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)ccc1OC(F)F 587129753 FUDVXNDTWLRKIX-FNORWQNLSA-N 389.358 4.950 5 1 GJBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 587267905 IBMAVELCDDVKLY-UHFFFAOYSA-N 377.404 4.632 5 1 GJBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513720 UITIARGATNVIGG-HXUWFJFHSA-N 376.412 4.970 5 1 GJBF CN1CCC[C@H]1CCOc1ccc2c(=O)c3c(Cl)c(Cl)ccc3[nH]c2c1 1857606823 NLYZKSLDJNPZKX-LBPRGKRZSA-N 391.298 4.851 5 1 GJBF COC(=O)CCc1ccc2c(c1)c1cccc3c1c(c1ccccc1n3C)[n+]2C 13675635 REWHEOTUWUJXRY-UHFFFAOYSA-N 383.471 4.568 5 1 GJBF COc1cc2oc3cc4occc4c(O)c3c(=O)c2c(CC=C(C)C)c1OC 15252021 RJQGTNXLUPWEKK-UHFFFAOYSA-N 380.396 4.924 5 1 GJBF biogenic Clc1ccc(-n2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)nn2)cc1 587075968 NASDVJPEXWAHDQ-UHFFFAOYSA-N 397.829 4.560 5 1 GJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587159761 XHTYROKNWDYZKI-UHFFFAOYSA-N 389.692 4.861 5 1 GJBF COc1cc(C[C@H](O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 653918589 FRVULPRWSDEMJB-FQEVSTJZSA-N 379.412 4.555 5 1 GJBF Cc1ccc(C)c(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 15935122 IKQVAUNKTTZZLB-UHFFFAOYSA-N 386.408 4.725 5 3 GJBF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1[N+](=O)[O-])(C1CC1)CC2=O 587473685 ZHQNZDLAEAAXKJ-QFIPXVFZSA-N 381.428 4.610 5 1 GJBF COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(Cl)cc3C)c[n+]12 299844623 LJJSBTNQVGOBKH-UHFFFAOYSA-O 390.850 4.599 5 1 GJBF O=C1C[C@H](c2cccn2-c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587514526 ZIKBSGLSQLPUML-JOCHJYFZSA-N 388.423 4.971 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccccc2[N+](=O)[O-])N1 587743373 APBNRXCNLAZBNH-GPZUXWMISA-N 391.240 4.785 5 1 GJBF COc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2nc1-c1ccccc1OC 71280487 FGYRFAZSXZANAR-UHFFFAOYSA-N 387.395 4.889 5 1 GJBF Cc1cc2nc(-c3noc(C)c3COc3ccc(Cl)cc3)[nH]c2cc1[N+](=O)[O-] 587075944 MTBSEQUEXDYUOG-UHFFFAOYSA-N 398.806 4.975 5 1 GJBF C[C@H](Oc1ccc(F)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587169161 UUURQCYPSHXHIG-QMMMGPOBSA-N 380.173 4.513 5 1 GJBF CS(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])sc2-c2ccc(F)cc2)cc1 26739256 LOSPPOPSQTVSGF-UHFFFAOYSA-N 377.418 4.533 5 1 GJBF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc([N+](=O)[O-])cc2)nc1 145239665 ARSWLECEUGEWQH-UHFFFAOYSA-N 383.404 4.674 5 1 GJBF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 587157678 DBKLLKUXNWQHFB-UHFFFAOYSA-N 379.322 4.896 5 1 GJBF O=C(c1csc(-c2ccc3c(c2)CCO3)n1)c1coc2cc([N+](=O)[O-])ccc12 587280745 WXCOMBZXIXVFJJ-UHFFFAOYSA-N 392.392 4.630 5 1 GJBF O=[N+]([O-])c1cccc2c1CCC[C@@]21c2ccsc2CCN1Cc1cccnc1 962999931 SOMYMOKYICCLKE-QFIPXVFZSA-N 391.496 4.690 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587151802 IVHGCDNBAWDLEO-RKDXNWHRSA-N 394.175 4.783 5 1 GJBF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3[N+](=O)[O-])c(C(=O)C(=O)OC)c2c1 587643417 UEOGYFQPDJWJAL-LBPRGKRZSA-N 380.400 4.612 5 1 GJBF O=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 84654080 HRXLAHOJBWXZSD-UHFFFAOYSA-N 384.395 4.700 5 1 GJBF C[C@@H]1CCCCN1c1ccc(NC(=O)c2cc(Cl)ccc2O)cc1[N+](=O)[O-] 169339445 NGBZJKWXLGTYPW-GFCCVEGCSA-N 389.839 4.585 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(C(C)(C)c1ccc([N+](=O)[O-])cc1)CC2=O 587470538 KUVBHHNUMRSPCF-QFIPXVFZSA-N 383.444 4.955 5 1 GJBF Nc1c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc2ccccc12 587253641 FHZUCNNSCZUKIN-UHFFFAOYSA-N 383.205 4.636 5 1 GJBF CCCOc1cc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2cc1Br 587261174 XJIKBOZIACRQST-UHFFFAOYSA-N 390.237 4.998 5 1 GJBF O=[N+]([O-])c1ccccc1-c1ccc(CSc2nnc(-c3ccncc3)o2)cc1 96271057 PSLRGVBAUBPLDY-UHFFFAOYSA-N 390.424 4.999 5 1 GJBF Cc1c(F)cccc1-c1cc(-c2nc3cnc(Cl)[nH]c-3n2)cc([N+](=O)[O-])c1 587135449 AWHKKHCVTNDWDC-UHFFFAOYSA-N 383.770 4.648 5 1 GJBF O=c1c2ccccc2c(O)nc2c(-c3nnc(/C=C/c4ccccc4)o3)cccc12 1857754580 CJSIXNYDSYGXRG-BUHFOSPRSA-N 393.402 4.674 5 1 GJBF O=[N+]([O-])c1ccc(N2CCN(c3cccc(Cl)c3)CC2)c(C(F)(F)F)c1 66105139 YGFKVGVDCVYWMR-UHFFFAOYSA-N 385.773 4.594 5 1 GJBF COc1ccc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2n1 587136439 GVBQJUILHCODRW-UHFFFAOYSA-N 378.363 4.656 5 1 GJBF C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342865 QEIKUEWUHPWLBV-IRLDBZIGSA-N 393.370 4.714 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O 587458388 AXGBIPKZKLZZDX-LJQANCHMSA-N 375.808 4.787 5 1 GJBF O=C1c2ccccc2O[C@H](c2ccccc2)[C@]12N=NC[C@H]2c1ccc([N+](=O)[O-])cc1 653857544 RPTGEOGRBJZGBQ-WWPVKYPJSA-N 399.406 4.900 5 1 GJBF CC(C=CC=C(C=CC1=C(C)C[C@@H](O)CC1(C)C)CO)=CC=CC=C(C)CO 2356599960 SJIHBBFQZMANOC-HSZRJFAPSA-N 384.560 4.956 5 1 GJBF CC(C)([C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)[C@H](C[N+](=O)[O-])c1ccccc1 587512055 UAWRSOANLOYCSB-IFMALSPDSA-N 393.483 4.986 5 1 GJBF Cc1ccc([N+](=O)[O-])c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587747623 PAZMBQYGUSULBU-ZMZPIMSZSA-N 393.256 4.603 5 1 GJBF COc1cc(C)c2c(=O)c3c(O)c(Cl)c(OC)c(Cl)c3oc2c1Cl 14769903 IKROECYDDLFKEA-UHFFFAOYSA-N 389.618 4.938 5 1 GJBF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1 587696088 PFASUCSOCILZFN-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)(C)[C@H]2N3C)cc1 53230575 IZIGCHHIRHKMJQ-VWNXMTODSA-O 394.539 4.935 5 1 GJBF COc1cc(OCc2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc1[N+](=O)[O-] 587262586 CWYWHLMRBUVRPX-UHFFFAOYSA-N 391.383 4.851 5 1 GJBF O=[N+]([O-])c1ccc([C@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)cc1 19321990 ZQHNQGAJGJRLCF-MZYLBHOOSA-N 388.471 4.542 5 1 GJBF O=[N+]([O-])c1ccc(C2=NC(=S)N[C@@H](c3ccc(Cl)cc3Cl)C2)cc1 103164300 BIPDITDVSFECFZ-OAHLLOKOSA-N 380.256 4.710 5 1 GJBF c1coc(-c2nc(Cc3nc4c5cccnc5c5ncccc5c4[nH]3)cs2)c1 587018326 ZKCBMDQIHDKWOC-UHFFFAOYSA-N 383.436 4.967 5 1 GJBF O=[N+]([O-])c1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1[N+](=O)[O-] 587050508 PEYCIXYHXHLXOV-SFYZADRCSA-N 393.186 4.957 5 1 GJBF CCOC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644366 WGNPALSCCYKVAX-UHFFFAOYSA-N 389.205 4.682 5 1 GJBF Cc1cc([N+](=O)[O-])ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587749910 ZZZXJPRPRJWMBC-ADLMAVQZSA-N 393.256 4.603 5 1 GJBF COc1ccc2[nH]c3c(C)c4ccnc(NCCCn5ccnc5)c4cc3c2c1 28227261 VCDSTSFSKLVOFE-UHFFFAOYSA-N 385.471 4.885 5 1 GJBF CCNCCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12 29545151 VIWUDYABBPMENV-UHFFFAOYSA-N 376.504 4.906 5 1 GJBF O=c1c(-c2cccc([N+](=O)[O-])c2)nc2ccc(Cl)cc2n1Cc1ccccc1 1772590394 HDSUGCOOHHTDBT-UHFFFAOYSA-N 391.814 4.673 5 1 GJBF O=[N+]([O-])c1cccc([C@@H]2c3sc4ccc(Cl)cc4c3N=C3N=NNN32)c1 1857556130 GFEAPWKLLGGQSE-CQSZACIVSA-N 384.808 4.741 5 1 GJBF N[C@H](N=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587272483 UILOOVOVVZIBOF-LJQANCHMSA-N 389.371 4.654 5 1 GJBF O=[N+]([O-])c1cc([C@@H]2NCCc3ccc(O)cc32)ccc1Oc1ccc(Cl)cc1 963354740 ZHHKDAYBKUOYKW-NRFANRHFSA-N 396.830 4.981 5 1 GJBF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c3ccccc3c3ccccc3c2[nH]1 587225773 TVDBJTPSXGBXML-MRXNPFEDSA-N 395.462 4.953 5 1 GJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)o1 587264709 JVKOHOZNNIYXLA-UHFFFAOYSA-N 389.346 4.723 5 1 GJBF COc1ccc(Cl)cc1C(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 4108175 RXYMJQHCIOBRSP-UHFFFAOYSA-N 394.814 4.564 5 1 GJBF Cc1cccc(C)c1Oc1nc(Nc2ccc([N+](=O)[O-])cc2)cn2ccnc12 219785813 BNKDKXJXUKZIIL-UHFFFAOYSA-N 375.388 4.790 5 1 GJBF COc1ccccc1-c1cc(=O)c2cc(OC)c3c(OC)ccc(OC)c3c2o1 299867769 YSYCPHWLOREMEA-UHFFFAOYSA-N 392.407 4.648 5 1 GJBF O=[N+]([O-])c1cncc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587070469 HEJJSQFAMLBHRZ-UHFFFAOYSA-N 386.198 4.902 5 1 GJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587261657 FMSUFATYAYJSPT-UHFFFAOYSA-N 383.301 4.559 5 1 GJBF Cc1cc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587721469 VXOYHSURRGUJDC-XLFHBGCDSA-N 397.219 4.568 5 1 GJBF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587784415 GXRBPMQUTOZUFE-QZTJIDSGSA-N 394.434 4.603 5 1 GJBF CC(C)(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 473115330 RXRJCVPLZXHKHH-UHFFFAOYSA-N 377.238 4.907 5 1 GJBF Cc1onc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)c1COc1ccc(Cl)cc1 587075031 DKZIYVYJXRPOOR-UHFFFAOYSA-N 384.779 4.667 5 1 GJBF O=C1C[C@H](c2cc([N+](=O)[O-])c(F)cc2Cl)Oc2c1ccc1c2CCCC1 587502521 FDVRZBQSQRRPKI-GOSISDBHSA-N 375.783 4.973 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc([N+](=O)[O-])c1 587547951 OJQHGUKLJGINLX-FXAWDEMLSA-N 397.770 4.657 5 1 GJBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc([N+](=O)[O-])c1C 587863332 YKEYDCAWZBAZKI-UHFFFAOYSA-N 377.322 4.783 5 1 GJBF Cn1c2nc3ccccc3c-2c(NCCN2CCCC2)c2cc(Cl)ccc21 101639530 YIDNXVREJFGIOS-UHFFFAOYSA-N 378.907 4.992 5 1 GJBF O=[N+]([O-])c1ccc(OCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1F 587148537 JVRQUYQOOADTAA-UHFFFAOYSA-N 393.374 4.768 5 1 GJBF COc1cccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)Cl)c1 587645017 HNKVNBMWOPJOID-UHFFFAOYSA-N 380.734 4.766 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(CSc1ccccc1[N+](=O)[O-])CC2=O 587491772 NFORVPYFBNAYBB-FQEVSTJZSA-N 387.457 4.769 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1[N+](=O)[O-] 587547299 LODQSSKTOXLPCD-XLIONFOSSA-N 397.770 4.657 5 1 GJBF Cc1cc([N+](=O)[O-])ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587749912 ZZZXJPRPRJWMBC-VOJFVSQTSA-N 393.256 4.603 5 1 GJBF COc1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc(N(C)C)ccc23)cc1 40422915 AHBSCHSLTCXCQW-UHFFFAOYSA-N 389.544 4.780 5 1 GJBF CNC(=O)c1cccc2c1nc(Nc1cccc(OC)c1Cl)c1ccncc12 73158882 IUFOLPOPTPIBRL-UHFFFAOYSA-N 392.846 4.548 5 1 GJBF Cn1c2c(O)cccc2c(=O)c2c(O)c(-c3ccccc3)c3c(c21)C=CC(C)(C)O3 2356341821 XUKLYSDKXYYBGC-UHFFFAOYSA-N 399.446 4.954 5 1 GJBF Fc1ccc(-n2cc(Cn3c4ccccc4c4nc5ccccc5nc43)nn2)cc1 98084910 GGRRQQQJCVRIFD-UHFFFAOYSA-N 394.413 4.506 5 1 GJBF Cc1cc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1Br 586977505 QACRAWUXFVIPFZ-UHFFFAOYSA-N 380.629 4.786 5 1 GJBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cccc(O)c4n(C)c13)C=CC(C)(C)O2 143778894 BZXCRWFCTAZFHE-UHFFFAOYSA-N 391.467 4.796 5 1 GJBF O=[N+]([O-])c1cc(/C=C/c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1Cl 587047822 OHTPAXFYMDHYIL-DUXPYHPUSA-N 379.706 4.616 5 1 GJBF O=[N+]([O-])c1cccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587148562 CHTLORDONOHUTJ-IBGZPJMESA-N 381.338 4.918 5 1 GJBF O=C(c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)Br 587644869 FIQJQEKVAVTYKO-UHFFFAOYSA-N 395.159 4.914 5 1 GJBF C[C@@]1(COc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772626491 HDVKTEZLHDJYRW-IBGZPJMESA-N 383.429 4.527 5 1 GJBF COc1cc2ccc3c4cc(OC)c(OC(C)C)cc4c[n+](C)c3c2cc1OC 1629536 ZMYJZDMCXISLFB-UHFFFAOYSA-N 392.475 4.784 5 1 GJBF CS(=O)(=O)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)c(-c3ccccc3)c2c1 587649963 FOSHRADBJFEQQJ-UHFFFAOYSA-N 392.436 4.814 5 1 GJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 587110088 RUWSJPNNIICANY-UHFFFAOYSA-N 391.136 4.783 5 1 GJBF COc1cccc(-c2nc3ccccc3c(=Nc3ccc(F)c([N+](=O)[O-])c3)[nH]2)c1 1857635445 WJKWXHAKDZLYRE-UHFFFAOYSA-N 390.374 4.518 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3SCCc4sccc43)[nH]c12 587036708 KGOOBYHBNZTLAE-ZDUSSCGKSA-N 396.291 4.674 5 1 GJBF O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1noc2cc3ccccc3cc12 206029194 YXTXBGSIIDIBAT-LJQANCHMSA-N 387.395 4.867 5 3 GJBF CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2cccc([N+](=O)[O-])c2)n1 45322199 CAAUAHMTZOTHGG-UHFFFAOYSA-N 379.420 4.722 5 1 GJBF CC(C)=CCc1c2c(c3[nH]c4c(O)cccc4c(=O)c3c1O)C=CC(C)(C)O2 5114123 QJMYUQUOPGKBEZ-UHFFFAOYSA-N 377.440 4.785 5 1 GJBF biogenic,in-vitro CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646638 YXOMIOIAOJGKKL-UHFFFAOYSA-N 378.306 4.939 5 1 GJBF c1ccc2nc3c(nc2c1)c1ccccc1n3CCCCCCN1CCOCC1 1772635777 UUXNRUKCKMJXAI-UHFFFAOYSA-N 388.515 4.630 5 1 GJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1F 587139015 CAZYFDKVTCYMFV-UHFFFAOYSA-N 375.665 4.829 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc3ncccc3c1[N+](=O)[O-])CC2=O 587469290 CECSYCLTDIDJOH-LJQANCHMSA-N 378.384 4.508 5 1 GJBF O=[N+]([O-])c1ccccc1[C@H]1N2CCCC[C@H]2[C@@H]2c3[nH]c4ccccc4c3CCN12 19329025 CLPYZIKKIHOWQZ-WWNPGLIZSA-N 388.471 4.542 5 1 GJBF CCOC(=O)c1c(-c2cc(F)c(F)c(C)c2F)[nH]c2cc([N+](=O)[O-])ccc12 587645813 DPEKMCYXMMSDGW-UHFFFAOYSA-N 378.306 4.646 5 1 GJBF Cc1cc([N+](=O)[O-])ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587749911 ZZZXJPRPRJWMBC-BBATYDOGSA-N 393.256 4.603 5 1 GJBF COc1ccc2c(c1)C[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)CC2 587947604 YLFILJOAJNQVNQ-OAHLLOKOSA-N 380.451 4.940 5 1 GJBF Cc1nnc(-c2ccc3ccccc3c2)c2cn(-c3cccc([N+](=O)[O-])c3)nc12 45321949 CRGMXPIVQGXHTR-UHFFFAOYSA-N 381.395 4.852 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 587542831 JNHUCUYTRSZVSS-XLIONFOSSA-N 397.770 4.657 5 1 GJBF COc1cc2oc3ccc(Cl)c(OC)c3c(=O)c2c(OC)c1-c1ccoc1 13386138 OPCFDRMIFKWCJY-UHFFFAOYSA-N 386.787 4.885 5 1 GJBF biogenic O=[N+]([O-])c1cnc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 587015601 RWGFZCPRNMAYPX-UHFFFAOYSA-N 392.227 4.963 5 1 GJBF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 587245047 VCOIDTFVGSXSCM-UHFFFAOYSA-N 376.347 4.530 5 1 GJBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1CC[C@@H]3O1 100373663 OTPNDVKVEAIXTI-HOTGVXAUSA-N 393.402 4.607 5 3 GJBF in-vitro CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586969461 SEPWPPTXNWZAHN-UHFFFAOYSA-N 390.396 4.934 5 1 GJBF CC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579441 ZZCLSJXIUZVSNN-UGKGYDQZSA-N 391.379 4.568 5 1 GJBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2c1 587094597 DFJLQYJGSXRFAZ-UHFFFAOYSA-N 376.216 4.571 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(CC)cc([N+](=O)[O-])c1OC)CC2=O 587472338 GYEJZHYXJAJXBB-JOCHJYFZSA-N 399.443 4.705 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2=O 587468902 BSTZYBZWTBUUJE-NRFANRHFSA-N 380.400 4.615 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c3ccc([N+](=O)[O-])cc13)CC2=O 587472080 XSTAWDILIGNRHR-IBGZPJMESA-N 380.400 4.749 5 1 GJBF C[C@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2cc([N+](=O)[O-])ccc12 587644543 ZOYNMQBIYZBXFH-VIFPVBQESA-N 389.205 4.694 5 1 GJBF Cc1c(F)ccc2c1[C@@H](c1ccc(OCc3ccccc3)cc1[N+](=O)[O-])NCC2 962090396 IMYFCYHTIDGSEH-HSZRJFAPSA-N 392.430 4.856 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc(CCc3ccccc3Cl)[nH]c12 587057729 DDJPQYAFQPGWFS-UHFFFAOYSA-N 380.629 4.672 5 1 GJBF CC[C@@]1(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC(=O)c2ccccc2C1 587961002 PADOJEAJHCHKHQ-FQEVSTJZSA-N 383.835 4.893 5 1 GJBF COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1Br 586975348 AXHFTLDXDCFPHG-HWKANZROSA-N 392.184 4.552 5 1 GJBF Cc1ccc(CN(C(=O)OC2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)s1 28825411 NAXYIWZRBXAQKX-YOFSQIOKSA-N 385.553 4.970 5 1 GJBF CC1(C)Oc2c(c3nccnc3c3ccccc23)[C@H]1n1cc(-c2ccccc2)nn1 96937842 PTIRYWCTCKOJNP-HSZRJFAPSA-N 393.450 4.802 5 1 GJBF O=C1OCC2=C1[C@H](c1cccc(Cl)c1)c1c(c3cccnc3c3ncccc13)N2 299840656 YFXWQIFQGKULNG-QGZVFWFLSA-N 399.837 4.805 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c12 587148086 FREQWWWNIXMQJW-KXFIGUGUSA-N 380.148 4.682 5 1 GJBF COc1cccc(-c2cc(O)cc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c2)c1 587933897 ZCFZTGJJEKWSEO-UHFFFAOYSA-N 375.384 4.828 5 1 GJBF Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2O)nc2ccc([N+](=O)[O-])cn12 72123308 GHTFRLHOFPAVIJ-UHFFFAOYSA-N 390.399 4.681 5 1 GJBF Cc1ccc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1F 587146565 QITUDYYNEPESJY-QPJJXVBHSA-N 376.185 4.852 5 1 GJBF Cc1cccc([N+](=O)[O-])c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587742961 BXUHHJSSLXWOHO-VOJFVSQTSA-N 393.256 4.603 5 1 GJBF C[C@H]1CCCCN1c1ccc(NC(=O)c2cc(Cl)ccc2O)cc1[N+](=O)[O-] 169339449 NGBZJKWXLGTYPW-LBPRGKRZSA-N 389.839 4.585 5 1 GJBF O=C(c1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)F 587646373 QLXZTFIYUSJJPO-UHFFFAOYSA-N 395.159 4.953 5 1 GJBF COc1cc2sc3ccc(-c4ccc(N(C)C)nc4)cc3c(=O)c2cc1OC 12477581 DCFYBWHYULOOLO-UHFFFAOYSA-N 392.480 4.560 5 3 GJBF COc1oc([C@@H](O)CC(C)=CC(C)=Cc2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C 2356862789 ROROIGVKZSMGBC-IBGZPJMESA-N 399.443 4.647 5 1 GJBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1ccc(Cl)s1 28466306 PSACVIHUZZPVQL-QGZVFWFLSA-N 377.853 4.621 5 1 GJBF O=C1c2ccccc2O[C@H](c2ccccc2)[C@@]12N=NC[C@@H]2c1ccc([N+](=O)[O-])cc1 653857542 RPTGEOGRBJZGBQ-PTUXOGIPSA-N 399.406 4.900 5 1 GJBF CC1(C)C=Cc2c(c(-c3ccccc3)c(O)c3c(=O)c4cccc(O)c4[nH]c23)O1 2356773998 OKQCZZWIGHSNHJ-UHFFFAOYSA-N 385.419 4.944 5 1 GJBF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587199096 ZRNYJFLSJQKGNG-UHFFFAOYSA-N 382.420 4.818 5 1 GJBF CCOc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCCN1C3 103188837 KOPYHSCOVDZYAS-HNNXBMFYSA-N 377.484 4.929 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Cl 587005320 SRHHGZCMCAMEPK-UHFFFAOYSA-N 388.008 4.602 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cc([N+](=O)[O-])ccc1Cl)O2 587376274 RBTKNTCQQIDEMC-LJQANCHMSA-N 397.818 4.636 5 1 GJBF CCCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O 587512437 XSGPMNWYVOYILM-LJQANCHMSA-N 397.427 4.675 5 1 GJBF Cc1cc(Br)ccc1-n1cccc1-c1nc2c([N+](=O)[O-])cccc2[nH]1 586982048 YQTZNEFJORUCMD-UHFFFAOYSA-N 397.232 5.000 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)CC2=O 587460242 HLVZRLLANHGESZ-KRWDZBQOSA-N 395.333 4.978 5 1 GJBF CN(C)CCCN=c1[nH]c(/C=C/c2cccs2)nc2cc3ccccc3cc12 1857554447 PDYADBYCLHMFEE-ZHACJKMWSA-N 388.540 4.800 5 1 GJBF O=C(c1cccc2c(Oc3ccccc3)c3ccccc3nc12)N1CCOCC1 28571090 TZEXUJPWOYYIFY-UHFFFAOYSA-N 384.435 4.653 5 1 GJBF O=c1oc2ccccc2cc1-c1ccc2c(=O)oc3ccc(Cl)cc3c2n1 103186178 KYXBXGVTXHHMSX-UHFFFAOYSA-N 375.767 4.768 5 1 GJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cccc(Br)c4[nH]3)c2)c1 587270743 RXMJZCYIHKDMLY-UHFFFAOYSA-N 395.216 4.963 5 1 GJBF O=C(O)/C(=C/c1cc(OCc2ccsc2)ccc1[N+](=O)[O-])c1ccccc1 13780360 AGOVSIKFPHYVCX-WOJGMQOQSA-N 381.409 4.861 5 1 GJBF O=c1oc(-c2ccccc2I)nc2cc3ccccc3cc12 27736982 XFNPMJKSZRHXQE-UHFFFAOYSA-N 399.187 4.613 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1Cl)O2 587375776 OVXIDCSBRLAYSS-IBGZPJMESA-N 397.818 4.636 5 1 GJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(F)cc(Br)c3[nH]2)c1F 587140286 XJXMBTKDGSSKSQ-UHFFFAOYSA-N 388.555 4.832 5 1 GJBF CCc1noc(CC)c1CCCCCCOc1ccc(OC)cc1[N+](=O)[O-] 27848220 FKBFGOQSALTSKU-UHFFFAOYSA-N 376.453 4.898 5 1 GJBF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)c21 587032668 MMBDSJWJEZLMGN-NSHDSACASA-N 379.445 4.825 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(Cl)c2)N1 587696686 QSEZPWQPASXNJM-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF C[C@@H](CN)c1ccc(-c2c(O)cc(Cl)c3nc(O)c4c(O)cccc4c23)cc1 1857614745 QFIJTMJLDZIYDK-NSHDSACASA-N 394.858 4.887 5 1 GJBF CC(=O)NC[C@]1(C)CCC[C@]2(C)c3cc([N+](=O)[O-])c(C(C)C)cc3C(=O)C[C@H]21 1772653392 WXMASIXGDZZILW-FDFHNCONSA-N 386.492 4.505 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1Cl 587030045 ZDESWXFRAFWPQR-UHFFFAOYSA-N 386.820 4.827 5 1 GJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2)cc1 587272664 XMHISHLVNGYQEL-UHFFFAOYSA-N 394.318 4.978 5 1 GJBF O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1coc2cc([N+](=O)[O-])ccc12 587280330 UFPLASNTJKMLMF-UHFFFAOYSA-N 378.296 4.740 5 1 GJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C[C@@](F)(Cl)C(F)(F)Br 587644917 FRAPJBAZUCYGTK-NSHDSACASA-N 385.567 4.819 5 1 GJBF O=c1c(-c2cccc([N+](=O)[O-])c2)nc2c(Cl)cccc2n1Cc1ccccc1 1772638677 WKFQILBQIFFTAO-UHFFFAOYSA-N 391.814 4.673 5 1 GJBF CC[C@@H]1CC=C[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(Cc3ccccc3)C(=O)[C@@H]21 13830256 OEBGFETZQKYEAP-XYEHWOGUSA-N 376.456 4.897 5 1 GJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(F)c(Br)c3[nH]2)c1F 587140244 VMLPCDADRILUHC-UHFFFAOYSA-N 388.555 4.832 5 1 GJBF O=[N+]([O-])c1ccc(-c2cc3c(NCCc4ccccc4)ncnc3s2)cc1 1857770708 GVLCYHCTFBBNPN-UHFFFAOYSA-N 376.441 4.921 5 1 GJBF O=C1C[C@@H](c2cc([N+](=O)[O-])c(F)cc2Cl)Oc2c1ccc1c2CCCC1 587502526 FDVRZBQSQRRPKI-SFHVURJKSA-N 375.783 4.973 5 1 GJBF CC[C@@H](C)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)c(C(=O)C(=O)OC)c2c1 587642250 KJEUBTFWXVKBPJ-GFCCVEGCSA-N 380.400 4.612 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2[N+](=O)[O-])N1 587698505 QKLNPZQDGQZGOY-VPTHRUTESA-N 399.647 4.773 5 1 GJBF COC(=O)[C@H](Cc1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 26753052 KXSQTEDQWJHEDB-GOSISDBHSA-N 385.419 4.616 5 1 GJBF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c([N+](=O)[O-])cncc4[nH]3)c21 587032228 GONXBTGMQDYRDM-LLVKDONJSA-N 379.445 4.825 5 1 GJBF Cc1c(F)cccc1-c1cc(-c2nc3c(Cl)ncnc3[nH]2)cc([N+](=O)[O-])c1 587135717 NKXJEELYHDMVHF-UHFFFAOYSA-N 383.770 4.696 5 1 GJBF C[C@@H]1CC(=O)[C@H](Cc2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H]1C[N+](=O)[O-] 587263675 NMZQVYMXBNZVAF-ZNOIYHFQSA-N 387.439 4.530 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc([N+](=O)[O-])c1Cl 587542778 JJKJLFARLLQAFP-OXQOHEQNSA-N 397.770 4.657 5 1 GJBF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)c21 587032667 MMBDSJWJEZLMGN-LLVKDONJSA-N 379.445 4.825 5 1 GJBF C[C@]1(COc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772626493 HDVKTEZLHDJYRW-LJQANCHMSA-N 383.429 4.527 5 1 GJBF COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(F)cc3)oc12 299856661 DBTQQYLAROUPHO-UHFFFAOYSA-N 380.371 4.778 5 1 GJBF O=C1c2ccccc2-c2cc(-c3ccc(F)c([N+](=O)[O-])c3)nc3ccc(O)c1c23 586986813 OQVJTMRYTHGGDG-UHFFFAOYSA-N 386.338 4.866 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(Cl)c2)N1 587696684 QSEZPWQPASXNJM-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF Cc1cccc([N+](=O)[O-])c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587742962 BXUHHJSSLXWOHO-ZMZPIMSZSA-N 393.256 4.603 5 1 GJBF Cc1ccccc1-c1cc(C(=O)O)ccc1Nc1ccc([N+](=O)[O-])c2nonc12 1857616998 ARMKBCGRTBHWGU-UHFFFAOYSA-N 390.355 4.548 5 1 GJBF CCCN1[C@H](/C(=C\Nc2ccc(OC)cc2)[N+](=O)[O-])c2ccccc2C[C@H]1C 963244608 WUSKEQYYOCCGDU-BRPJJHRWSA-N 381.476 4.623 5 1 GJBF C[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)C=C(c2ccccc2F)NO1 587153907 BKTQQWXWOFYABN-HSZRJFAPSA-N 397.413 4.590 5 1 GJBF O=C(c1ccc(COCC(F)(F)F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280505 YPSHUDCYOHOQIA-UHFFFAOYSA-N 379.290 4.651 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Cl 587017698 OUJYLBUQYZBMHN-UHFFFAOYSA-N 392.227 4.963 5 1 GJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587270462 YTHDKEWIKQAKEX-UHFFFAOYSA-N 376.338 4.757 5 1 GJBF CC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587747107 MAMNOKSYCJXEPF-ZMZPIMSZSA-N 393.256 4.684 5 1 GJBF O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])o1 35272357 CZMNCJGKSUAYGO-UHFFFAOYSA-N 375.340 4.762 5 1 GJBF O=[N+]([O-])c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587150567 MDVTTWSAXGTGMT-IBGZPJMESA-N 381.338 4.918 5 1 GJBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)nn2)c1 587269170 HTIWPWMILFYJOS-UHFFFAOYSA-N 398.382 4.511 5 1 GJBF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccccc3[N+](=O)[O-])c2c1 587644024 ZDMZTJRFCTZNKR-GFCCVEGCSA-N 380.400 4.607 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 587693622 FAPGZDZAGHMZFA-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF Cc1ccc([C@H]2[C@@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)cc1 1772642997 UWBNRUSVJMEGBI-XXBNENTESA-N 384.439 4.911 5 1 GJBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(C(C)C)CC3 72317695 YIPIINKKAYVXRA-UHFFFAOYSA-N 395.499 4.794 5 1 GJBF Cc1c(F)cccc1-c1cc(-c2nc3cc4c(cc3[nH]2)OCO4)cc([N+](=O)[O-])c1 587136095 CCHLQCYIRFLSLP-UHFFFAOYSA-N 391.358 4.981 5 1 GJBF Fc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)nc1Br 587155740 QRXIXWDWFWSQNK-UHFFFAOYSA-N 394.207 4.623 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2=O 587458767 BGRRWTYPZAHRKR-QGZVFWFLSA-N 395.333 4.978 5 1 GJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc([N+](=O)[O-])cc1 587866383 ZKOIOSUXSULQGE-UHFFFAOYSA-N 377.322 4.865 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)ccc1[N+](=O)[O-])CC2=O 587462807 QPKTWOYUTPTWJD-LJQANCHMSA-N 375.808 4.787 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(Cl)c2)N1 587691664 CNNPOJBPCZRBRA-ZKANADHPSA-N 399.647 4.773 5 1 GJBF Cc1ccccc1Nc1nc(C)n(CC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] 40406645 DZFMMMBHJHHGBA-UHFFFAOYSA-N 384.823 4.688 5 1 GJBF COc1ccc2c(ccc3c2c2c(NCCCN(C)C)ncc(C)c2n3C)c1 29318091 GLSFMBYLYOEMTQ-UHFFFAOYSA-N 376.504 4.560 5 1 GJBF Cc1nn(Cc2ccccc2-c2nc3cc(Cl)cc(C)c3[nH]2)c(C)c1[N+](=O)[O-] 587264097 BDSCFBWNWAVDMJ-UHFFFAOYSA-N 395.850 4.962 5 1 GJBF O=C1C[C@@]2(CCc3ccc([N+](=O)[O-])cc3CC2)Oc2c1ccc1c2CCCC1 587510558 BDBHQBOPAIHSKT-QHCPKHFHSA-N 377.440 4.757 5 1 GJBF Cc1cc([N+](=O)[O-])ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748815 WPVNQOQCOOTOHE-VOJFVSQTSA-N 393.256 4.603 5 1 GJBF Cc1nn(Cc2ccccc2-c2nc3cc(Cl)cc(F)c3[nH]2)c(C)c1[N+](=O)[O-] 587267507 LIGCCTCFSNDFLI-UHFFFAOYSA-N 399.813 4.792 5 1 GJBF CC(C)c1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(O)c(C(C)C)c1 586896890 UEUCORPBUBLUAI-UHFFFAOYSA-N 384.392 4.999 5 1 GJBF C[C@H]1Oc2cc(O)c3c(=O)c4c5c(c(O)cc4oc3c2C1(C)C)OC(C)(C)C=C5 1772624515 VNIIWYXDSWVLIC-SNVBAGLBSA-N 394.423 4.600 5 1 GJBF CC[N+](C)(C)CCCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1857597941 YAGOSXCARNJAQN-UHFFFAOYSA-O 391.620 4.522 5 1 GJBF CCOC(=O)c1c(Cc2ccccc2[N+](=O)[O-])[nH]c2cc(Cl)c(F)cc12 587630931 FGBXWBHPOMXOIA-UHFFFAOYSA-N 376.771 4.636 5 1 GJBF O=[N+]([O-])c1cccc2[nH]c(CCCCC3OCCO3)c(-c3ccc(F)cc3)c12 587645561 CKRNVOWDEVGWLO-UHFFFAOYSA-N 384.407 4.968 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586885441 MUFCSSCAOGDYEN-SCLBCKFNSA-N 384.233 4.605 5 1 GJBF Cc1cc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2cc1[N+](=O)[O-] 587016731 BKYVSXZVTPXHSW-UHFFFAOYSA-N 378.413 4.505 5 1 GJBF CCOC(=O)c1c(-c2ccccc2Br)[nH]c2cc([N+](=O)[O-])ccc12 587644298 SYHAIILHIQFQKP-UHFFFAOYSA-N 389.205 4.682 5 1 GJBF Cc1c(F)ccc2c1[C@](Cc1ccccc1)(c1cccc([N+](=O)[O-])c1)NCC2 962299531 OISZUXJNLRFEBV-QHCPKHFHSA-N 376.431 4.674 5 1 GJBF COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[N+](C)(Cc3ccccc3)CC1)C2 13817946 MNJMLCSCGCADPC-DRMRFRMASA-N 394.535 4.506 5 1 GJBF OC[C@@H](NCc1ccc2ccc3cccc4ccc1c2c34)[C@H](O)c1ccccc1 26400219 NRAYOGRHPDEHKT-ZEQKJWHPSA-N 381.475 4.768 5 1 GJBF CC(C)=CCc1c(O)ccc2oc3c(O)c4c(c(O)c3c(=O)c12)C=CC(C)(C)O4 28638857 LIBMYNVOSDZKIY-UHFFFAOYSA-N 394.423 4.756 5 1 GJBF biogenic Cc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174263 UZPFEJYNRCSWPU-UHFFFAOYSA-N 397.504 4.884 5 1 GJBF Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82163445 MBKVRXBJIDIAFU-UHFFFAOYSA-N 391.387 4.529 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Cl 587541976 GYPRMFZSXOVHIM-XLIONFOSSA-N 397.770 4.657 5 1 GJBF O=C(O)CCc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644376 WUEITBOCEXDIAM-UHFFFAOYSA-N 389.205 4.523 5 1 GJBF CC(C)=CCc1c2c(c3oc4c(O)cccc4c(=O)c3c1O)CCC(C)(C)O2 14610234 KNIWDQZUTDLRKZ-UHFFFAOYSA-N 380.440 4.970 5 1 GJBF biogenic,in-vitro CC1(C)CC2(CC(C)(C)c3cc([N+](=O)[O-])c(O)cc32)c2cc(O)c([N+](=O)[O-])cc21 26154851 ZHJVMMFKPYUQIQ-UHFFFAOYSA-N 398.415 4.563 5 1 GJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587269437 NNQQCWXAOVTKQU-UHFFFAOYSA-N 394.328 4.896 5 1 GJBF COc1ccc(CCCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1OC 587924763 FLDDEEXASALZMN-UHFFFAOYSA-N 398.466 4.852 5 1 GJBF Cc1cc2oc(=O)c3c(oc4ccc5c(c43)CN(CC3CC3)CO5)c2cc1C 1772605640 UDGQQJZOJSSQDE-UHFFFAOYSA-N 375.424 4.871 5 1 GJBF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587080182 NMTQFXADJQEZST-GFCCVEGCSA-N 390.230 4.502 5 1 GJBF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746413 JVGLKGMTVIIQEM-BBATYDOGSA-N 393.256 4.603 5 1 GJBF Cc1cc([N+](=O)[O-])ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748813 WPVNQOQCOOTOHE-BBATYDOGSA-N 393.256 4.603 5 1 GJBF O=C(NCCN1CCCC1)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccccc12 1857548696 FWLACBXALHJLHN-UHFFFAOYSA-N 396.494 4.781 5 1 GJBF O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])c1coc2ccccc12 587280385 CGLHEIUEANJZHI-UHFFFAOYSA-N 391.427 4.694 5 1 GJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C[C@@](F)(Cl)C(F)(F)Br 587645605 ZMBMMRLRNGWQGT-NSHDSACASA-N 385.567 4.819 5 1 GJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(OC(F)(F)F)cc1[N+](=O)[O-] 587646557 UWWARKZWRPIPOH-UHFFFAOYSA-N 381.266 4.858 5 1 GJBF Cc1nc(-c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174532 MCAKXDMEKAIZCJ-UHFFFAOYSA-N 395.488 4.782 5 1 GJBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cccc(O)c4[nH]c13)C[C@@H](C(C)(C)C)O2 238781906 ZOTFVFNDKOUSGN-KRWDZBQOSA-N 393.483 4.951 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587161683 PFIBCPPAJLPVHF-NEPJUHHUSA-N 376.185 4.644 5 1 GJBF C[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340812 WSRZBYOCZUZXIU-UNMCSNQZSA-N 393.370 4.714 5 1 GJBF COc1ccc(/C=C/Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)c1 587930301 SQCKCCXKAPEPEO-ZZXKWVIFSA-N 396.450 4.932 5 1 GJBF CC(C)OC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1cc2c3c(cccc3n1)CC2 587210482 CRHPWHWZMTWLGD-UNOMPAQXSA-N 388.423 4.734 5 1 GJBF O=C(O)c1cccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12 587272548 VBULQNZCZGNJPJ-UHFFFAOYSA-N 375.340 4.629 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc([N+](=O)[O-])c2Cl)N1 587691675 CTMMDCPZNALPBO-VPTHRUTESA-N 399.647 4.773 5 1 GJBF Cc1c([N+](=O)[O-])cccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748360 WMKPZZLFBCRUHX-XTZNXHDOSA-N 393.256 4.603 5 1 GJBF CCC(=O)c1ccc(Nc2c3cccc([N+](=O)[O-])c3nc3c2c(C)nn3C)cc1 29037867 HIHCQZLUBPTDQK-UHFFFAOYSA-N 389.415 4.674 5 1 GJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2cccc(Cl)c2)CC1 66156608 DNIREJHVFWESQF-UHFFFAOYSA-N 385.773 4.594 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2cccc3cc4ccccc4c1c23 587406505 HXAFIGUIBONSHU-VWLOTQADSA-N 379.415 4.941 5 1 GJBF Cc1cnc(-c2cnc(NCc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174736 ZKDPHJYPAGCPOX-UHFFFAOYSA-N 387.399 4.627 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2cc1[N+](=O)[O-] 587083981 PWPGHZKWDOEZQI-UHFFFAOYSA-N 395.762 4.762 5 1 GJBF COC(=O)c1cccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12 587271493 DDPHDMFYACYNDA-UHFFFAOYSA-N 389.367 4.717 5 1 GJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCCC[C@@H]1C3=O 1857544407 PKZTZUDXXPWWCK-HXUWFJFHSA-N 391.467 4.570 5 1 GJBF COc1cccc([C@@H](C)Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587931061 LVGASMZIDVQCCY-JTQLQIEISA-N 390.237 4.588 5 1 GJBF CC(=O)O[C@H](C)c1nc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1 1772590308 CJXCRADCCGMMQS-RXMQYKEDSA-N 394.261 4.528 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1Cl 587548326 VXLFZRNJITZDEF-FXAWDEMLSA-N 397.770 4.657 5 1 GJBF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746417 JVGLKGMTVIIQEM-ZMZPIMSZSA-N 393.256 4.603 5 1 GJBF Cc1cccc([N+](=O)[O-])c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587742959 BXUHHJSSLXWOHO-ADLMAVQZSA-N 393.256 4.603 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1F 587782914 SCUSMBXLPIKFNI-UHFFFAOYSA-N 379.347 4.562 5 1 GJBF O=C1OCC2=C1[C@@H](c1cccc(Cl)c1)c1c(c3cccnc3c3ncccc13)N2 299840655 YFXWQIFQGKULNG-KRWDZBQOSA-N 399.837 4.805 5 1 GJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 586968323 CCXJZFJFCFQKMW-UHFFFAOYSA-N 389.408 4.724 5 1 GJBF CCN(CCCCN)CCCCNCc1c2ccccc2cc2ccccc12 29055552 IQXMRBSNLKAISX-UHFFFAOYSA-N 377.576 4.924 5 1 GJBF COc1cc2oc3c(O)c4c(oc5cc(O)c(OC)cc54)c(OC)c3c2cc1O 13376235 MANAPGLVDXCTAT-UHFFFAOYSA-N 396.351 4.628 5 1 GJBF biogenic O=[N+]([O-])c1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Cl 587005609 MQEXLQBTQVOLNR-UHFFFAOYSA-N 388.008 4.602 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587151800 IVHGCDNBAWDLEO-DTWKUNHWSA-N 394.175 4.783 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 587546380 QKZPVFKNCNPXHA-PXNSSMCTSA-N 397.770 4.657 5 1 GJBF O=C(O)CCc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644478 XBCIUFZYKDXNGK-UHFFFAOYSA-N 389.205 4.523 5 1 GJBF COc1ccc(/C=C/Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c(OC)c1 587928676 HBUOZYUPIBXJDC-AATRIKPKSA-N 396.450 4.932 5 1 GJBF Cc1cc2nc(-c3cccc([N+](=O)[O-])c3)c(=O)n(Cc3ccccc3)c2cc1C 1772584290 DTRGKVZXGWAEKQ-UHFFFAOYSA-N 385.423 4.637 5 1 GJBF COc1ccc(C=O)c2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)oc12 586904585 XYHBGAOKCCTRIF-UHFFFAOYSA-N 394.390 4.894 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC)c([N+](=O)[O-])c1)CC2=O 587473456 VHZVEJOBMHPGJH-NRFANRHFSA-N 385.416 4.532 5 1 GJBF CCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc2c1nc(O)c1ccccc12 1857744925 RRTDJKNPVZWKBV-UHFFFAOYSA-N 389.295 4.968 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1Cl)O2 587375777 OVXIDCSBRLAYSS-LJQANCHMSA-N 397.818 4.636 5 1 GJBF Cc1c([N+](=O)[O-])cccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587748986 ZGUYVUBNDZNQDP-MGNBDDOMSA-N 393.256 4.603 5 1 GJBF C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)N(Cc1ccsc1)c1ccsc1)C2 101152074 LMDNOMYZUIYOBM-IRXDYDNUSA-N 377.555 4.723 5 1 GJBF O=C(O)CCCCCC[C@H]1CCC[C@H]1NCCCOc1ccc([N+](=O)[O-])cc1 28003467 NLNYYUVVZKHHCF-FXAWDEMLSA-N 392.496 4.547 5 1 GJBF CN1CCc2c(Br)cccc2[C@]1(C)c1cc(Cl)ccc1[N+](=O)[O-] 963279820 JKNPNOIUUQNVBR-QGZVFWFLSA-N 395.684 4.762 5 1 GJBF CCOC(=O)N=c1ccc2c3cccc4c3c(c3ccccc3n4C)n(C)c-2c1 377819890 LPJPHDAJJPYVRZ-UHFFFAOYSA-N 383.451 4.985 5 1 GJBF O=[N+]([O-])c1cccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587000609 IMMNZYVCRMHCQZ-UHFFFAOYSA-N 398.216 4.966 5 1 GJBF Cc1cc2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587191474 VECCZPRJSIQLBY-SFHVURJKSA-N 396.447 4.736 5 1 GJBF COc1cc2c(=O)n(C3CCCCCC3)c3c4ccnc-4[nH]cc3c2cc1OC 1857653487 ZWRZDGRGEBEZTR-UHFFFAOYSA-N 391.471 4.895 5 1 GJBF CC(C)C(=O)NCCc1c2[nH]c3ccccc3c3ccnc(c4ncsc14)c23 13432828 AAQHWEJDBWNALT-UHFFFAOYSA-N 388.496 4.794 5 1 GJBF biogenic CN(C)C(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12 73196005 JKKJNVZWKOURFO-UHFFFAOYSA-N 376.847 4.882 5 1 GJBF COc1cc(O)c2c(=O)c3c(C)c(Cl)c(O)c(Cl)c3oc2c1Cl 14769912 RMZVGXZIOZSDGN-UHFFFAOYSA-N 375.591 4.635 5 1 GJBF biogenic CC(=O)c1ccc(Nc2ccnc3cc(Cl)c([N+](=O)[O-])cc23)c([N+](=O)[O-])c1 26661214 YPBULUFBYYIDBT-UHFFFAOYSA-N 386.751 4.651 5 1 GJBF O[C@]1(c2ccc(Cl)cc2)c2c(c3ccccc3c3ccccc23)C2=NCCN21 6041419 BNGGAXDPIFCFSB-XMMPIXPASA-N 384.866 4.916 5 1 GJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCC[N@+]1([O-])C3 257487641 MUSNTDDWXDJEFG-SHACYNPGSA-N 379.456 4.552 5 1 GJBF CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2cccc([N+](=O)[O-])c12 587644323 USUWREHDTRPVGP-UHFFFAOYSA-N 389.205 4.682 5 1 GJBF Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)c(OCC(F)(F)F)c12 1628729 ACIYKIGHVRYKTA-UHFFFAOYSA-O 375.370 4.562 5 1 GJBF O=c1[nH]ccc2c(Nc3c(Cl)cc(F)cc3Cl)nc3ccncc3c12 103239745 CODIBUDSZRMNBU-UHFFFAOYSA-N 375.190 4.661 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC)c([N+](=O)[O-])c1)CC2=O 587473457 VHZVEJOBMHPGJH-OAQYLSRUSA-N 385.416 4.532 5 1 GJBF COc1c(O)c(Cc2ccc(O)cc2)c2ccc3cc(O)ccc3c2c1OC 1772634851 ACOQIWIMHKBYTQ-UHFFFAOYSA-N 376.408 4.718 5 1 GJBF Cc1ccc(F)c(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 15936810 MOTSHSCQMRKPHS-UHFFFAOYSA-N 390.371 4.556 5 3 GJBF O=c1c2ccc(O)cc2oc2cc(O)c(-c3c(O)ccc4ccccc34)c(O)c12 72181421 YHAVGDLFZJKGDF-UHFFFAOYSA-N 386.359 4.589 5 1 GJBF Cc1ccc2c(=O)c3cccc(CC(=O)Nc4ccc(Cl)cn4)c3oc2c1C 103299286 CZXXSNDEUVMVGD-UHFFFAOYSA-N 392.842 4.793 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1F 587157595 AQMKTSAQOFDCLE-UHFFFAOYSA-N 391.337 4.755 5 1 GJBF O=[N+]([O-])c1cccc([C@H]2NC(=S)Nc3c2sc2ccc(Cl)cc32)c1 1857534941 MGMRLJYASFFPOJ-CYBMUJFWSA-N 375.862 4.852 5 1 GJBF NCCCCNCCCCCCNCc1c2ccccc2cc2ccccc12 13585468 HWIGQNAIZLJHDJ-UHFFFAOYSA-N 377.576 4.972 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc([N+](=O)[O-])c1Cl 587542777 JJKJLFARLLQAFP-OXJNMPFZSA-N 397.770 4.657 5 1 GJBF CC1(C)CC(=O)C(c2c(-c3ccc(F)cc3)[nH]c3cc([N+](=O)[O-])ccc23)C(=O)C1 587645913 OMONQGNSWLZVJK-UHFFFAOYSA-N 394.402 4.924 5 1 GJBF CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc12 40953943 YRPMKMASAGNATL-UHFFFAOYSA-N 393.443 4.574 5 1 GJBF Cn1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(-c2ccc(F)cc2)n1 1772638713 XPVVMCRWUMUYBE-UHFFFAOYSA-N 394.413 4.866 5 1 GJBF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511668 RFWAWJVJKDTNDO-HSZRJFAPSA-N 395.455 4.925 5 1 GJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C[C@](F)(Cl)C(F)(F)Br 587645604 ZMBMMRLRNGWQGT-LLVKDONJSA-N 385.567 4.819 5 1 GJBF Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1nc(O)c1c(F)cccc12 1857590670 RSNXQLCFTDYTSU-ZDUSSCGKSA-N 376.431 4.976 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 587693625 FAPGZDZAGHMZFA-VPTHRUTESA-N 399.647 4.773 5 1 GJBF O=C1c2ccccc2-c2cc(CCc3ccccc3[N+](=O)[O-])nc3ccc(O)c1c23 586987902 UWEZBQIHWWRYMN-UHFFFAOYSA-N 396.402 4.845 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(F)c([N+](=O)[O-])c1)O2 587382345 PXRSQZUDXBJQGO-QFIPXVFZSA-N 392.386 4.534 5 1 GJBF Cc1[nH]c2c(C(=O)O)cccc2c1-c1ccc(OC(F)(F)F)cc1[N+](=O)[O-] 587637714 OMAGQVDFJTWQHG-UHFFFAOYSA-N 380.278 4.648 5 1 GJBF COc1ccc(CCCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c(OC)c1 587928477 GGPZRQWGVLWCAR-UHFFFAOYSA-N 398.466 4.852 5 1 GJBF COc1ccc([C@H](O)[C@@H](C)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587938663 YJIQGHVMOPGDBK-MCMMXHMISA-N 384.439 4.505 5 1 GJBF COc1ccc([C@@H](O)[C@@H](C)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587938666 YMVYAIKXVSPNOJ-DMZKTXOQSA-N 384.439 4.505 5 1 GJBF CC(C)=CCc1ccc2c(c1O)c(=O)c1c(O)c(CC=C(C)C)c(O)cc1n2C 238773306 FVTAUHKNVFCMOH-UHFFFAOYSA-N 393.483 4.826 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587084226 JZWXRLKHZKOHJE-UHFFFAOYSA-N 388.008 4.602 5 1 GJBF Cc1[nH]c2c(C(=O)O)cccc2c1-c1ccc(Br)cc1[N+](=O)[O-] 587636717 FKFMVIVWWGFUEP-UHFFFAOYSA-N 375.178 4.512 5 1 GJBF Cc1ccc2nc3c(Br)cc(Br)c(O)c3nc2c1C 1857650299 OQQKSOCNFFYDIV-UHFFFAOYSA-N 382.055 4.630 5 1 GJBF COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1OC)C[C@@]1(C)CCCN1C3 14593899 RQYAMGQPSTUKBA-XMMPIXPASA-N 393.483 4.635 5 1 GJBF biogenic COc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1C 586980230 SPKJZTLDIKRWOZ-UHFFFAOYSA-N 376.210 4.526 5 1 GJBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(F)c1 587144959 OTZQUOCEJNRAIB-UHFFFAOYSA-N 391.358 4.951 5 1 GJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(Br)cc1[N+](=O)[O-] 587643461 FPAKGXMDPPRVMW-UHFFFAOYSA-N 376.166 4.722 5 1 GJBF Cc1cc2nc3c(O)c(Br)cc(Br)c3nc2c(C)c1C 1857650379 JFNLWCBXHGSRGG-UHFFFAOYSA-N 396.082 4.939 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1Cl 587548335 VXLFZRNJITZDEF-XLIONFOSSA-N 397.770 4.657 5 1 GJBF O=[N+]([O-])c1ccccc1CNc1ccc(NCc2ccccc2[N+](=O)[O-])cc1 206038002 FYZBZFGKFDMFNF-UHFFFAOYSA-N 378.388 4.727 5 3 GJBF COc1ccc(-c2cocc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 36477143 HVEZKGLOMZRUCN-UHFFFAOYSA-N 385.372 4.556 5 1 GJBF O=[N+]([O-])c1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Cl 586996707 XUELFGOYBNTUFF-UHFFFAOYSA-N 395.644 4.542 5 1 GJBF Cc1c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cccc1[N+](=O)[O-] 587657028 QKQQWNNJDMJLRS-UHFFFAOYSA-N 393.349 4.548 5 1 GJBF COc1cc(C[C@@H](O)c2ccc(-c3cccc(F)c3)cc2)c([N+](=O)[O-])cc1OC 653714227 CKYUWESAPUOLPB-HXUWFJFHSA-N 397.402 4.694 5 1 GJBF O=[N+]([O-])c1ccc(C2=NN=C3C(Cc4ccccc4)=Nc4ccccc4N3C2)cc1 473111558 BSBRTQRJUAKZLW-UHFFFAOYSA-N 395.422 4.546 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1 587696086 PFASUCSOCILZFN-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF Cc1noc(/C=C/c2ccccc2)c1-n1c(C)nc2nc3ccccc3cc2c1=O 84709330 GOPJLLOVDXCFKA-OUKQBFOZSA-N 394.434 4.709 5 1 GJBF CC[C@@H](Oc1ccccc1Cl)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587061181 BZPSZGIQMJQUJQ-CQSZACIVSA-N 376.756 4.563 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C)cc3[N+](=O)[O-])o1)O2 587389508 LGVMASFUEAODGM-HXUWFJFHSA-N 378.384 4.760 5 1 GJBF O=C(O)CCCCCC[C@H]1CCC[C@@H]1NCCCOc1ccc([N+](=O)[O-])cc1 28003458 NLNYYUVVZKHHCF-PXNSSMCTSA-N 392.496 4.547 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1 587691740 DKGUWJJUEJWACL-ZKANADHPSA-N 399.647 4.773 5 1 GJBF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587784417 GXRBPMQUTOZUFE-ROUUACIJSA-N 394.434 4.603 5 1 GJBF COc1cc(O)cc(-c2cccc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c2)c1 587930494 CTFRYCMEXQHXJZ-UHFFFAOYSA-N 375.384 4.828 5 1 GJBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccc(Cl)cc1)c1cccs1 28469116 XFJFPNWGBBABIW-KRWDZBQOSA-N 377.853 4.621 5 1 GJBF CCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c-2nc1=O)c43 95596816 OBOMQVHVCNBULB-UHFFFAOYSA-N 391.540 4.884 5 1 GJBF O=[N+]([O-])c1cnc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 587159891 XJCZIZRVIBMYND-KRWDZBQOSA-N 398.781 4.827 5 1 GJBF COc1ccc(C(=O)Nc2ccc3cc4ccc(NC(C)=O)cc4nc3c2)cc1 28712672 PVHHQYDVVNFVFI-UHFFFAOYSA-N 385.423 4.607 5 1 GJBF Nc1c(C(=O)c2cccc([N+](=O)[O-])c2)sc2nc(-c3cccs3)ccc12 27091339 KTDPAKDXBNTWDP-UHFFFAOYSA-N 381.438 4.746 5 1 GJBF COc1cc2c3c(c1)O[C@]1(C(=O)c4cccc5ccc6cccc1c6c45)[C@@H](C2)C3=O 587446749 FCVZJONEFUQNML-SIBVEZHUSA-N 392.410 4.841 5 1 GJBF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587784418 GXRBPMQUTOZUFE-ZWKOTPCHSA-N 394.434 4.603 5 1 GJBF Fc1ccc(-c2n[nH]cc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 1772607405 IMFINYUVJXXYBO-UHFFFAOYSA-N 380.386 4.856 5 1 GJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc3c(c2[nH]1)CCCC3 587109819 NZBNIFVGCMCVGW-UHFFFAOYSA-N 375.350 4.960 5 1 GJBF O=S(=O)(Nc1ccc2nc(O)c3ccccc3c2c1)c1cccc(Cl)c1 1857568552 FLEGIYNIEKIFFB-UHFFFAOYSA-N 384.844 4.548 5 1 GJBF CCC(NC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F 68573284 LTBIFUHKBUBYGR-UHFFFAOYSA-N 393.671 4.643 5 1 GJBF biogenic COc1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2C)c(OC)c1 587929019 JXNKFUGFLWSNJB-UHFFFAOYSA-N 390.399 4.526 5 1 GJBF O=[N+]([O-])c1ccc2oc(N[C@@H](Cc3ccc(F)cc3)c3ccccn3)nc2c1 28008207 YJECZOMEQLVBBG-KRWDZBQOSA-N 378.363 4.666 5 1 GJBF Cc1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 587056679 SRVFXOXLIFEAGX-QGZVFWFLSA-N 386.839 4.560 5 1 GJBF Cc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Cl 587267449 YZYXXZKDBRLGIC-VIFPVBQESA-N 375.772 4.514 5 1 GJBF CCOC(=O)c1c(-c2cc(F)c(Cl)nc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587645445 BGQPJFYWXRULMA-UHFFFAOYSA-N 398.177 4.761 5 1 GJBF CCCN(CCC)CCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1 1857586975 YGVVLEXGNBMTNX-UHFFFAOYSA-N 388.458 4.850 5 1 GJBF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586961976 MXEASBOMKRYEEB-LLVKDONJSA-N 387.468 4.800 5 1 GJBF CC(=O)Nc1ccc(Cl)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587051630 ZREQCCHXGVDNSU-UHFFFAOYSA-N 387.830 4.938 5 1 GJBF CC(C)(C)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2n1 587110062 RDFLHRWJCHXMSU-UHFFFAOYSA-N 378.354 4.773 5 1 GJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 587269046 ILEKCUVCLOCUFC-UHFFFAOYSA-N 376.338 4.757 5 1 GJBF COc1c(Cl)c(O)c2c(=O)c3c(C)cc(O)c(Cl)c3oc2c1Cl 14769897 SWYXXNJANIXCRQ-UHFFFAOYSA-N 375.591 4.635 5 1 GJBF biogenic CC(C)c1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1 45284266 HCVRZNYMYQHMLS-FQEVSTJZSA-N 393.443 4.560 5 1 GJBF O=[N+]([O-])c1cc(Br)ccc1-n1nc2cc1Oc1ccc(F)cc1-2 587872869 SAOCPLZKPLOICD-UHFFFAOYSA-N 376.141 4.455 5 1 GJBF O=c1c2ccc(Cl)cc2sc2c(N3CCC(O)CC3)nc3ccccc3c12 473172827 YTYQGEUMCNKLSR-UHFFFAOYSA-N 396.899 4.577 5 1 GJBF Cc1cccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 587055254 NWCARVHRPLGLEJ-INIZCTEOSA-N 386.839 4.560 5 1 GJBF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587065940 FVHOAUYXYQJOFV-UHFFFAOYSA-N 397.778 4.799 5 1 GJBF COc1ccc2c(c1)O[C@H](c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)C2=O 49803022 PEDGTJVKEYCMHP-IFMALSPDSA-N 375.380 4.704 5 1 GJBF O=[N+]([O-])c1cc(/C=C/c2nc3c(F)cnc(Br)c3[nH]2)ccc1Cl 587047532 KBQITRRBZWOYJR-DUXPYHPUSA-N 397.591 4.592 5 1 GJBF Cc1nc(-c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163516 SKBJXRQFNCUKMB-UHFFFAOYSA-N 397.504 4.884 5 1 GJBF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c3cccnc3c3ncccc3c2[nH]1 587174496 JVOPWFIVJQOTHY-QGZVFWFLSA-N 396.429 4.522 5 1 GJBF C[C@@]1(COc2ccc(-c3ccc(F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772625421 OKSGGYFLUQQQDC-IBGZPJMESA-N 385.420 4.541 5 1 GJBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(F)c1 587145417 WENKKUHWQLEVAO-UHFFFAOYSA-N 391.358 4.951 5 1 GJBF CC(C)([C@@H](C[N+](=O)[O-])c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512081 UAWRSOANLOYCSB-RBBKRZOGSA-N 393.483 4.986 5 1 GJBF COC(=O)/C=C/c1ccc2c(c1)c1cccc3c1c(c1ccccc1n3C)[n+]2C 13675633 RQRWUNLGTDPEIE-WYMLVPIESA-N 381.455 4.649 5 1 GJBF Cc1nn(Cc2ccccc2-c2nc3ccc(Cl)c(C)c3[nH]2)c(C)c1[N+](=O)[O-] 587265086 MDQDDNNSFQYCQE-UHFFFAOYSA-N 395.850 4.962 5 1 GJBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NC1CCCC1 775605 FINRITVGVFGFRU-UHFFFAOYSA-N 391.855 4.873 5 1 GJBF CCN(CC)CCOc1ccc2c(=O)c3c(Cl)c(Cl)ccc3[nH]c2c1 1857596445 FHHZLCVPZOOOQE-UHFFFAOYSA-N 379.287 4.709 5 1 GJBF CC[C@H](Oc1ccccc1F)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587156238 RCTZFHQDYJCILW-ZDUSSCGKSA-N 394.200 4.903 5 1 GJBF CCOC(=O)c1c(Cc2ccccc2[N+](=O)[O-])[nH]c2ccc(F)c(Cl)c12 587631183 IOCBVRQKHUJYAR-UHFFFAOYSA-N 376.771 4.636 5 1 GJBF CN(C)CCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3 3797035 GFPMZWGDMXJVLR-UHFFFAOYSA-N 396.494 4.624 5 1 GJBF CCN(CC)CCNc1nccc2c(C)c3c(cc12)c1cc(OC)ccc1n3C 29545843 FIRFTJHDICWOJW-UHFFFAOYSA-N 390.531 4.950 5 1 GJBF Clc1ccc(-n2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)nn2)cc1 587076452 TVYZUPXMJDDQHA-UHFFFAOYSA-N 397.829 4.560 5 1 GJBF O=[N+]([O-])c1cccc2c1NC[C@H]1C2=NN(c2ccccc2)[C@H]1c1ccc(F)cc1 1772599930 YOFVLHMYWGMMCQ-AVRDEDQJSA-N 388.402 4.741 5 1 GJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1 13744700 FGQBGBIHWBTRKP-UHFFFAOYSA-N 378.215 4.542 5 1 GJBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587269511 PJVRWANXJQUKPG-UHFFFAOYSA-N 389.367 4.655 5 1 GJBF Cc1ccc2c3c(cc(-c4cc(N)ccc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 587097462 IJNXVKCCECQOAY-UHFFFAOYSA-N 381.391 4.912 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2Cl)N1 587691494 BQMWIBDMQXDPSA-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF CC(C)NC(=O)c1cccc2c(Cc3ccc(C(=O)O)cc3)c3ccccc3nc12 1772615889 BPLFBNMWPPIVGH-UHFFFAOYSA-N 398.462 4.815 5 1 GJBF CCCCn1c(=O)c2ccccc2c2cc(C(=O)NCc3ccccc3)ccc21 169327710 SHSSMBUEGZIXGL-UHFFFAOYSA-N 384.479 4.885 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c12 587113640 RGTOFWQGRREGAP-UHFFFAOYSA-N 386.127 4.919 5 1 GJBF Cc1ccc2c3c(cc(-c4cc([N+](=O)[O-])ccc4N)nc13)-c1ccccc1C2=O 587098131 NRIRNNPKTMFCDE-UHFFFAOYSA-N 381.391 4.912 5 1 GJBF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587108703 PRGLYAJWTBQMRU-UHFFFAOYSA-N 385.685 4.509 5 1 GJBF C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342866 QEIKUEWUHPWLBV-RBBKRZOGSA-N 393.370 4.714 5 1 GJBF CCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746773 LEFYRSUMTGJJBD-MLCYQJTMSA-N 393.256 4.682 5 1 GJBF COC(=O)c1cccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c12 586972235 FQZMZHDYNRVQGW-UHFFFAOYSA-N 385.445 4.673 5 1 GJBF CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1OC(F)F 587129149 CNNUVYGQQKTUMB-XQRVVYSFSA-N 393.321 4.781 5 1 GJBF C[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340810 WSRZBYOCZUZXIU-IRLDBZIGSA-N 393.370 4.714 5 1 GJBF CCN(CC)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccc(F)cc12 40421353 IZOSXZOOISAAHJ-UHFFFAOYSA-O 379.503 4.582 5 1 GJBF CC(C)c1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 40976783 IQLOISRIXAXOQD-CDHQVMDDSA-N 390.436 4.721 5 1 GJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc([N+](=O)[O-])cn1 587860590 YLSWWEZZLPMCFS-UHFFFAOYSA-N 379.203 4.548 5 1 GJBF Cc1ccc(-c2noc(Cn3c4ccccc4c(=O)c4cc(C)ccc43)n2)cc1 653746442 VCZNIVCELDWSCP-UHFFFAOYSA-N 381.435 4.870 5 1 GJBF CC(=O)C(C(C)=O)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586881733 IGWKEQYQCWUNFB-UHFFFAOYSA-N 394.434 4.588 5 1 GJBF O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 28569729 NSRFGHDKVJDFJE-GOSISDBHSA-N 377.425 4.648 5 1 GJBF CC[C@H](C)n1cc(Cl)c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)n1 587079533 IYKCOVNNOIVPLE-ZETCQYMHSA-N 398.648 4.722 5 1 GJBF Cc1ccsc1CN(C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 101152323 LCFLTSGKHHHXPL-ACDBMABISA-N 385.553 4.970 5 1 GJBF COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1Br 586975349 AXHFTLDXDCFPHG-HYXAFXHYSA-N 392.184 4.552 5 1 GJBF C[C@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128436 MEUIWLVPNCJAKW-RXMQYKEDSA-N 391.712 4.806 5 1 GJBF CC[C@]1(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC(=O)c2ccccc2C1 587961007 PADOJEAJHCHKHQ-HXUWFJFHSA-N 383.835 4.893 5 1 GJBF COc1cc(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC 40430367 LCZKQIPOJZQKBG-UHFFFAOYSA-N 399.424 4.580 5 1 GJBF Cc1nc2ccc(O)c3c2c(c1Cc1ccccc1[N+](=O)[O-])-c1ccccc1C3=O 586986563 CRAKNXHKLMRFAP-UHFFFAOYSA-N 396.402 4.959 5 1 GJBF O=[N+]([O-])c1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Cl 587132805 VJRVEYDXDXBILA-OWOJBTEDSA-N 389.667 4.990 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc([N+](=O)[O-])c1 587547959 OJQHGUKLJGINLX-YLJYHZDGSA-N 397.770 4.657 5 1 GJBF CN1CCCN(c2c3c4ccccc4nc-3n(C)c3ccc(Cl)cc23)CC1 102994622 AETGIOCUWKKXKP-UHFFFAOYSA-N 378.907 4.627 5 1 GJBF COc1cncc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c12 587136115 CJWSBYVNINHZTP-UHFFFAOYSA-N 378.363 4.656 5 1 GJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)cc(F)c3[nH]2)c1F 587139060 DDQHDMKHOZJKID-UHFFFAOYSA-N 388.555 4.832 5 1 GJBF CC1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc([N+](=O)[O-])ccc2O1 587512851 OYDUGRLGOYBBEF-QHCPKHFHSA-N 393.439 4.895 5 1 GJBF CCOC(=O)c1c(-c2cc(F)c(F)c(Cl)c2F)[nH]c2cc([N+](=O)[O-])ccc12 587646325 NZPHOKDYMUYQDZ-UHFFFAOYSA-N 398.724 4.991 5 1 GJBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cc(O)cc(O)c4oc13)C=CC(C)(C)O2 43022312 QFONJGHMNNNIHT-UHFFFAOYSA-N 394.423 4.756 5 1 GJBF biogenic O=c1c(/C=C/c2ccccc2)nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 169342597 BANPKMFZIRGPHP-NTCAYCPXSA-N 383.407 4.523 5 1 GJBF COC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ncncc12 199790631 XJYPFCRZPRXEHU-UHFFFAOYSA-N 382.782 4.501 5 1 GJBF O=C1c2ccccc2-c2cc(-c3cc([N+](=O)[O-])ccc3F)nc3ccc(O)c1c23 586986330 LDHVVZOLOHGJHZ-UHFFFAOYSA-N 386.338 4.866 5 1 GJBF O=[N+]([O-])c1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1[N+](=O)[O-] 587055817 XUQIEWQLOQUMSK-SNAWJCMRSA-N 379.159 4.857 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1)CC2=O 587471759 UFGROMVJRGOESC-NRFANRHFSA-N 392.411 4.750 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(Cl)c2)N1 587691662 CNNPOJBPCZRBRA-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF O=[N+]([O-])c1ccccc1Oc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 653775572 YWVLJSAVIDNNNM-UHFFFAOYSA-N 375.340 4.810 5 1 GJBF CC(C)=CCc1ccc2[nH]c3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1O 14780681 FTQKOQDXYSCLPI-UHFFFAOYSA-N 379.456 4.816 5 1 GJBF biogenic CCN(CC)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1c(F)cc(F)cc12 40422398 NPLYGLRDIAJKQK-UHFFFAOYSA-O 397.493 4.721 5 1 GJBF CCNc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 66112667 NVAFTCLAWKCJLO-UHFFFAOYSA-N 393.834 4.705 5 1 GJBF CCNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12 73142130 FOPGQICEKPAAOV-UHFFFAOYSA-N 376.847 4.930 5 1 GJBF CC(=O)c1c(Nc2ccc(F)cc2)nc2c([N+](=O)[O-])cc(Cl)cc2c1O 84614674 FQCHKWCUQOMVKL-UHFFFAOYSA-N 375.743 4.587 5 1 GJBF C[C@H]1Oc2cc3oc4c(O)c5c(cc4c(=O)c3c(O)c2C1(C)C)C=CC(C)(C)O5 15256057 YNHZDINWEJCMRF-SNVBAGLBSA-N 394.423 4.600 5 3 GJBF biogenic OC1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCC(C(F)(F)F)CC1 587125488 GCSRXLOESVBXCY-UHFFFAOYSA-N 386.377 4.599 5 1 GJBF CCc1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 587267038 DHGQKQBYENFFQQ-UHFFFAOYSA-N 375.432 4.562 5 1 GJBF O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1CC[C@@H]3O1 29321693 UUGQYFCRDPAFOP-MSOLQXFVSA-N 379.419 4.967 5 1 GJBF CCC[C@H](C)COC(=O)c1cc(C(=O)OC[C@H](C)CCC)cc([N+](=O)[O-])c1 40876723 AAFNISXYCGJZPH-GASCZTMLSA-N 379.453 4.781 5 1 GJBF Cc1nc(-c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163555 QXOMOWOAVJNQOW-UHFFFAOYSA-N 381.461 4.614 5 1 GJBF CNc1cc(Cl)ccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587067343 VNFJKLOBHDTKAQ-UHFFFAOYSA-N 381.617 4.596 5 1 GJBF CC(C)(C)OC(=O)N[C@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C1CCCC1 587227223 WYOLLDTVHRFQNO-HNNXBMFYSA-N 394.859 4.881 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc([N+](=O)[O-])c2Cl)N1 587691673 CTMMDCPZNALPBO-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF O=[N+]([O-])c1cccc2[nH]cc([C@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)c12 962721656 WBMIZZBZPDMPLX-YEJXKQKISA-N 397.475 4.668 5 1 GJBF O=c1cc(NCc2cccc(F)c2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857539056 OKFPIUUUVIVSKK-UHFFFAOYSA-N 398.337 4.940 5 1 GJBF COc1c2ccc(C)cc2nc2c(OC)c3c(c(O)nc4ccccc43)c(O)c12 2356573785 AFFNBCRLIXERJL-UHFFFAOYSA-N 386.407 4.826 5 1 GJBF CC[N@+]1(C)CC[C@@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 253690604 NAGNEDWJLLWFMD-XZDHIHRUSA-N 393.334 4.550 5 1 GJBF N=c1[nH]c(-c2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)cs1 587021227 JVEWMKRSQPEDJT-UHFFFAOYSA-N 394.463 4.862 5 1 GJBF COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 587048296 RZHGPTXDZFDQEA-HYXAFXHYSA-N 392.198 4.735 5 1 GJBF CC[C@@H](C)n1cc(Cl)c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)n1 587080879 UWLJKDSVWHHMPQ-SSDOTTSWSA-N 398.648 4.722 5 1 GJBF COc1cc2c3c(c1)O[C@@]1(C(=O)c4c5ccccc5cc5cccc1c45)[C@@H](C2)C3=O 587447325 QBQQDGXASKTESG-AFMDSPMNSA-N 392.410 4.841 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2Cl)N1 587691493 BQMWIBDMQXDPSA-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF COc1ccccc1NC(=O)c1cc(N)ccc1Sc1ccc([N+](=O)[O-])cc1 1772614201 KIACDNQBVYYMEZ-UHFFFAOYSA-N 395.440 4.589 5 1 GJBF CC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579439 ZZCLSJXIUZVSNN-KNQAVFIVSA-N 391.379 4.568 5 1 GJBF O=C(c1ccc(-c2cc3c(ccc4ccccc43)oc2=O)nc1)c1ccccc1O 98085077 BJLIUXOTLCZEBV-UHFFFAOYSA-N 393.398 4.945 5 1 GJBF O=C(c1cnc(Nc2cccc([N+](=O)[O-])c2F)s1)c1ccccc1Cl 473131983 QHANIENOJITSRW-UHFFFAOYSA-N 377.784 4.818 5 1 GJBF CCc1ccc2nc3c(O)c(Br)cc(Br)c3nc2c1 1857652204 LRDXHWYFJLTNIJ-UHFFFAOYSA-N 382.055 4.576 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Cl 587006066 GNJPFDFRVXLRSP-UHFFFAOYSA-N 391.612 4.807 5 1 GJBF C[C@@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2cc([N+](=O)[O-])ccc12 587644542 ZOYNMQBIYZBXFH-SECBINFHSA-N 389.205 4.694 5 1 GJBF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@+](C)([O-])[C@@H]2N3C)cc1 253650485 BUFXKBAJCGWYSI-RZPFDVGOSA-N 395.503 4.803 5 1 GJBF Cc1cc2[nH]c(-c3nc(Br)sc3C3CC3)nc2cc1[N+](=O)[O-] 587012842 LEEPBEDEKLEMKY-UHFFFAOYSA-N 379.239 4.543 5 1 GJBF CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)c(=O)c1cccc(O)c1n2C 14780661 ISJBDHUGVDBULE-UHFFFAOYSA-N 393.483 4.826 5 1 GJBF biogenic,in-vitro O=C(Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1)c1ccc(F)cc1 587163189 ICTPVWLFLLOYFL-UHFFFAOYSA-N 376.347 4.530 5 1 GJBF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511670 RFWAWJVJKDTNDO-QHCPKHFHSA-N 395.455 4.925 5 1 GJBF O=[N+]([O-])c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587166569 WLORMOBHLDRUEZ-UHFFFAOYSA-N 393.403 4.577 5 1 GJBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587267899 UFAYCFPJWUYOJE-ZDUSSCGKSA-N 379.445 4.737 5 1 GJBF O=C(CCCCCOc1cccc([N+](=O)[O-])c1)Nc1ccnc(C(F)(F)F)c1 299863327 KYJGLCSOXMECRW-UHFFFAOYSA-N 397.353 4.587 5 1 GJBF O=[N+]([O-])c1cncc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586975410 CHULWRBQSKPHQJ-UHFFFAOYSA-N 388.008 4.602 5 1 GJBF CCN(CCCCNCCCCN)Cc1c2ccccc2cc2ccccc12 13644759 GBDPXYDFTIIEBD-UHFFFAOYSA-N 377.576 4.924 5 1 GJBF NC1=NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1CC[C@H]3O1 29327300 SJUBTBKHEUROTP-CVEARBPZSA-N 392.418 4.583 5 1 GJBF Cc1ccc(-n2ccnc2SCc2nc3cccc([N+](=O)[O-])c3[nH]2)c(C)c1 586966706 QLQXTDQNEZCDJI-UHFFFAOYSA-N 379.445 4.566 5 1 GJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 587109391 ISLZURDAGSUQSD-UHFFFAOYSA-N 391.136 4.783 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c12 587148087 FREQWWWNIXMQJW-QHHAFSJGSA-N 380.148 4.682 5 1 GJBF O=[N+]([O-])c1cnc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071210 MOLGRJLAHYQAFS-UHFFFAOYSA-N 380.791 4.766 5 1 GJBF O=[N+]([O-])c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081957 ZYTFDXOKVYBXFH-UHFFFAOYSA-N 390.790 4.501 5 1 GJBF Cc1cc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2cc1[N+](=O)[O-] 587159685 SSIWEJZKEXKAQD-UHFFFAOYSA-N 387.374 4.925 5 1 GJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(F)(F)F)cc2[nH]1 587266609 LRGFDPYRUPFRDC-QMMMGPOBSA-N 395.297 4.571 5 1 GJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963115423 VJBQMHOQVMXAFV-KDOFPFPSSA-N 380.341 4.863 5 1 GJBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(C(=N)N)cc3[nH]2)cc([N+](=O)[O-])c1 587135550 HCRPXJDFBIWHQL-UHFFFAOYSA-N 389.390 4.537 5 1 GJBF CCCOc1cc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2cc1Br 587269174 RMDSFCNTIMNJRU-UHFFFAOYSA-N 380.198 4.591 5 1 GJBF O=C(O)CCCCCC[C@H]1CCC[C@H]1NCCCc1ccc([N+](=O)[O-])cc1 27999767 WKSMDQKHMKWDGQ-AZUAARDMSA-N 376.497 4.711 5 1 GJBF CCN(C)c1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163976 ALKWHPVAZSFYFA-UHFFFAOYSA-N 391.456 4.785 5 1 GJBF COc1cccc(CN(C(=O)OC2C[C@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)c1 101152041 RLCOOYBGUNLNOM-NHCUHLMSSA-N 395.523 4.608 5 1 GJBF O=C1C[C@@H](c2cccn2-c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587514527 ZIKBSGLSQLPUML-QFIPXVFZSA-N 388.423 4.971 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 587697203 MZVVUKPLKQZYOV-VPTHRUTESA-N 399.647 4.773 5 1 GJBF COc1cc2c(c3ccccc3n2C)c2c(NCCN3CCCCC3)nccc12 5932670 FFKACQYTWXHHEG-UHFFFAOYSA-N 388.515 4.786 5 1 GJBF C[N+](C)(C)CCO[P@](=O)(O)OCCCCCC12CC3CC(CC(C3)C1)C2 27860267 YXLOSIFRXFMMCF-UHFFFAOYSA-O 388.509 4.603 5 1 GJBF CCc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc([N+](=O)[O-])cc2)s1 206864996 LKPRWDJJVKRPFB-FQEVSTJZSA-N 393.468 4.985 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](C(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1)CC2=O 587472302 FXALHMGYDQLDOX-RXVVDRJESA-N 397.471 4.765 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc(CCc3cc4ccccc4o3)[nH]c12 586903682 LFIOHNBHBPKRPE-UHFFFAOYSA-N 386.205 4.765 5 1 GJBF c1ccc(C[C@H]2N[C@@H](c3nc4c5cccnc5c5ncccc5c4[nH]3)CS2)cc1 587042353 SPLAJUXWYXEYJU-MSOLQXFVSA-N 397.507 4.606 5 1 GJBF O=[N+]([O-])c1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587067826 QWKJONWWWBNFPS-UHFFFAOYSA-N 379.803 4.951 5 1 GJBF O=[N+]([O-])c1ccc(OCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1F 587148961 NQWUAZFBSHWHSV-UHFFFAOYSA-N 387.314 4.801 5 1 GJBF COc1cccc2sc3cc(NCc4ccc5c(c4)OCO5)ccc3c(=O)c12 100562878 UMIUFTMTIDFOLP-UHFFFAOYSA-N 391.448 4.764 5 3 GJBF CCN(CC)c1ccc2nc3c4ccccc4/c(=N\c4ncccn4)cc-3oc2c1 102893478 HBZOIQRVTZEZHG-RRAHZORUSA-N 395.466 4.954 5 1 GJBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN1CCCC1=C3 238747453 RTBXEALUGGGUOM-UHFFFAOYSA-N 391.467 4.978 5 1 GJBF O=C1c2ccccc2-c2cc(-c3cc(F)cc([N+](=O)[O-])c3O)nc3cccc1c23 587104509 XRKLFTDDJUGYKX-UHFFFAOYSA-N 386.338 4.866 5 1 GJBF C[C@]1(COCc2ccc(-c3ccc(F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772646524 CEJMFBJXLHSSBS-HXUWFJFHSA-N 399.447 4.679 5 1 GJBF O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 28975864 YEGHZGNCUKGRIS-UHFFFAOYSA-N 379.155 4.776 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587161685 PFIBCPPAJLPVHF-RYUDHWBXSA-N 376.185 4.644 5 1 GJBF Cc1ccc([C@H]2[C@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)cc1 1772642995 UWBNRUSVJMEGBI-CVDCTZTESA-N 384.439 4.911 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1)CC2=O 587472303 FXALHMGYDQLDOX-WIYYLYMNSA-N 397.471 4.765 5 1 GJBF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[N+]1(C)CCCC1 6010179 BNGLMWNLXJDGMK-OALUTQOASA-N 384.371 4.546 5 1 GJBF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587168994 PPWNXJXZBXFROB-QMMMGPOBSA-N 380.173 4.513 5 1 GJBF CCN(CC)CCCNc1nncc2c(C)c3[nH]c4ccc(OC)cc4c3cc12 33917321 MDLJIACDWXEWDH-UHFFFAOYSA-N 391.519 4.725 5 1 GJBF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1cc([N+](=O)[O-])cn1 587627559 CMAREAVYPGIXEP-UHFFFAOYSA-N 378.232 4.608 5 1 GJBF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587928218 YMWQLHUAAJUXKH-LLVKDONJSA-N 375.812 4.684 5 1 GJBF O=C(OCCCCCCCn1ccc2cc([N+](=O)[O-])ccc21)c1cccnc1 13524825 DAXKIXKVMAVRDU-UHFFFAOYSA-N 381.432 4.752 5 1 GJBF OCCOCCOc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 95561165 GILLTFKOXMEGQN-UHFFFAOYSA-N 398.462 4.924 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 587542832 JNHUCUYTRSZVSS-YLJYHZDGSA-N 397.770 4.657 5 1 GJBF C[C@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2cccc([N+](=O)[O-])c12 587644538 ZKUNDNZKOOVXKC-VIFPVBQESA-N 389.205 4.694 5 1 GJBF Cc1cc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587721491 WDRRVHNUSJXSIR-HUTHGQBESA-N 397.219 4.568 5 1 GJBF CCN(CC)CCCNc1nccc2c(C)c3c(cc12)c1cnccc1n3C 1546839 ZNMIFTUBWAIEIC-UHFFFAOYSA-N 375.520 4.727 5 1 GJBF CC(C)=CCc1c(O)cc2oc3c(O)c4c(cc3c(=O)c2c1O)C=CC(C)(C)O4 40896604 WONKAIBLCNOWOP-UHFFFAOYSA-N 394.423 4.756 5 1 GJBF biogenic,in-vitro c1ccc(C[C@H]2N[C@H](c3nc4c5cccnc5c5ncccc5c4[nH]3)CS2)cc1 587042355 SPLAJUXWYXEYJU-ROUUACIJSA-N 397.507 4.606 5 1 GJBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H]1C[N+](=O)[O-] 587263674 NMZQVYMXBNZVAF-VMDGZTHMSA-N 387.439 4.530 5 1 GJBF CCN(C)c1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174926 HLXFINXBSRXZFG-UHFFFAOYSA-N 391.456 4.785 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])c(F)cc1Cl)CC2=O 587464829 AQWNZEYJMFHZHR-QGZVFWFLSA-N 379.771 4.752 5 1 GJBF Cc1c(-c2nc3c(C)cnc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979505 DOYMNMUBWNVOAR-UHFFFAOYSA-N 381.617 4.566 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2ccc([N+](=O)[O-])cc21 587389683 MZSREFLDZVMMHA-JOCHJYFZSA-N 388.379 4.500 5 1 GJBF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[N+](C)(Cc3ccccc3)CC1)C2 13817949 MNJMLCSCGCADPC-WYBLULDQSA-N 394.535 4.506 5 1 GJBF C[C@H]1Oc2cc(O)c3c(=O)c4cc5c(c(O)c4oc3c2C1(C)C)OC(C)(C)C=C5 2356624669 JLUDWKYIDWFAGN-SNVBAGLBSA-N 394.423 4.600 5 1 GJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586968486 FHVCNOCMCXBLLM-KRWDZBQOSA-N 385.449 4.610 5 1 GJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 586968487 FHVCNOCMCXBLLM-QGZVFWFLSA-N 385.449 4.610 5 1 GJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(Br)cc1[N+](=O)[O-] 587644270 SHMCGZDHDIOLFW-UHFFFAOYSA-N 376.166 4.722 5 1 GJBF O=S(=O)(Nc1ccc2nc(O)c3ccccc3c2c1)c1ccc(Cl)cc1 1857571164 GPBOUZKGKZUBFL-UHFFFAOYSA-N 384.844 4.548 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC2=O 587464389 PJCNQJPGWRHMCP-QGZVFWFLSA-N 395.333 4.978 5 1 GJBF CC1(C)C=Cc2cc3c(=O)c4c(O)c5c(cc4oc3c(O)c2O1)OC(C)(C)CC5 14684035 ITBVNXOQWXMFFG-UHFFFAOYSA-N 394.423 4.645 5 1 GJBF biogenic,in-vitro CC(C)=CCc1c2c(c3c(=O)c4c(O)cc(O)cc4oc3c1O)C=CC(C)(C)O2 238768600 NJRXVBOOKYQPSA-UHFFFAOYSA-N 394.423 4.756 5 1 GJBF Cc1ccc(F)cc1NC(=O)Cn1c2ccccc2c(=O)c2cc(Cl)ccc21 34138353 BGSKBNNUAUOYFV-UHFFFAOYSA-N 394.833 4.894 5 1 GJBF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587265593 QVJRVHYJUIATBU-UHFFFAOYSA-N 391.383 4.504 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc([N+](=O)[O-])c2Cl)N1 587691676 CTMMDCPZNALPBO-ZKANADHPSA-N 399.647 4.773 5 1 GJBF O=C1N[C@@H](O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21 6567617 WGAFRSXCWMBYJY-IBGZPJMESA-N 396.233 4.997 5 1 GJBF biogenic CC[C@H](Oc1ccccc1F)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587155962 PGSIAWJFVVHUNL-LBPRGKRZSA-N 394.200 4.903 5 1 GJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(SC(F)(F)F)cc2[nH]1 587159570 SEFCZHKXXWNLAF-UHFFFAOYSA-N 387.314 4.801 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cc([N+](=O)[O-])ccc3o1)CC2=O 587470914 MXMCTVMVEULNML-OAQYLSRUSA-N 381.384 4.880 5 1 GJBF Cc1cc(-c2cccc(OCCn3c([N+](=O)[O-])cnc3C)c2)nc2ccccc12 1857561024 BFZMMAQQWLTPPR-UHFFFAOYSA-N 388.427 4.702 5 1 GJBF COc1cccc2c1ccc1c3c(NCCCN(C)C)ncc(C)c3n(C)c21 29325354 ZYGRTNVWEAAOMR-UHFFFAOYSA-N 376.504 4.560 5 1 GJBF O=[N+]([O-])c1cccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586961202 SRPNNRKVAWQYPA-NDEPHWFRSA-N 391.452 4.509 5 1 GJBF O=C(c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)Br 587645442 VKYSTPFEJRWYGV-UHFFFAOYSA-N 395.159 4.914 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2)N1 587701588 NZLGYWXMGRPQKS-VPTHRUTESA-N 399.647 4.773 5 1 GJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 587109868 OUQAMQNBOAGCPA-UHFFFAOYSA-N 391.136 4.783 5 1 GJBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4[N+](=O)[O-])s1)[C@@H](C2)C3=O 587452669 SOTGQDVEDNCJJG-LHSJRXKWSA-N 393.420 4.821 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)CC2=O 587460245 HLVZRLLANHGESZ-QGZVFWFLSA-N 395.333 4.978 5 1 GJBF O=[N+]([O-])c1cc([C@H]2NCCc3ccc(O)cc32)ccc1Oc1ccc(Cl)cc1 963354741 ZHHKDAYBKUOYKW-OAQYLSRUSA-N 396.830 4.981 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc([N+](=O)[O-])c(Cl)s1)CC2=O 587493053 QCZBTDDQPXMHLC-QGZVFWFLSA-N 381.837 4.848 5 1 GJBF Cc1onc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)c1COc1ccccc1Cl 587063838 ZGHLOCSEJDFABH-UHFFFAOYSA-N 384.779 4.667 5 1 GJBF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587234046 VPACQQJYTDSQNL-ZYHUDNBSSA-N 394.859 4.675 5 1 GJBF CC(C)[C@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 776239 LIDLAPKIGZTAAS-NSHDSACASA-N 393.871 4.975 5 1 GJBF Cc1cc(OCC[N+](C)(C)Cc2ccc([N+](=O)[O-])o2)c(C(C)C)cc1Cl 59720884 FPNPFLNJDWWHFR-UHFFFAOYSA-N 381.880 4.928 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587081084 RHLJNUJCFCSLPN-GFCCVEGCSA-N 394.612 4.563 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(Cl)cc1[N+](=O)[O-])CC2=O 587462519 OOOLAMVGJQALGR-HXUWFJFHSA-N 389.835 4.873 5 1 GJBF O=[N+]([O-])c1cc(OC(F)(F)F)ccc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963092964 BGWREUMSBLZGTE-FZKQIMNGSA-N 396.340 4.742 5 1 GJBF COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)cc1 101152111 FJEQHMBUGJOIRZ-SGRGSNTQSA-N 395.523 4.608 5 1 GJBF O=C1c2ccccc2O[C@H](c2ccccc2)[C@@]12N=NC[C@H]2c1ccc([N+](=O)[O-])cc1 653857541 RPTGEOGRBJZGBQ-PMOQBDJRSA-N 399.406 4.900 5 1 GJBF CC(C)=CCc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1O 1772570395 SQOFWHHFHNJENR-UHFFFAOYSA-N 396.439 4.786 5 1 GJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)cc2[nH]1 587267443 YWKPKLXWCRDPHP-ZETCQYMHSA-N 396.190 4.859 5 1 GJBF CC(C)[C@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587198344 YYEUIYXPFUGQFR-CQSZACIVSA-N 382.848 4.689 5 1 GJBF CCOC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587643369 DRLSFIHOSXGUGD-UHFFFAOYSA-N 389.205 4.682 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2[N+](=O)[O-])N1 587699014 RBHMEJRXSRXMBI-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF O=c1c2ccccc2oc2cc(O)c(-c3c(O)ccc4ccc(O)cc34)c(O)c12 72178630 JCVXRBUJNBGXCH-UHFFFAOYSA-N 386.359 4.589 5 1 GJBF O=[N+]([O-])c1ccc(-c2csc3ncnc(NCCc4ccccc4)c23)cc1 299828800 IUXJMFLVCKLMME-UHFFFAOYSA-N 376.441 4.921 5 1 GJBF O=[N+]([O-])c1ccc(-n2ccc([C@@H](c3ccc(Cl)cc3)n3ccnc3)c2)cc1 1857610766 QTULDPYLTJTMSM-HXUWFJFHSA-N 378.819 4.873 5 1 GJBF Cc1ccsc1CN(C(=O)OC1C[C@@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1 101152328 LCFLTSGKHHHXPL-OALUTQOASA-N 385.553 4.970 5 1 GJBF O=C(c1ccc(Br)cc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280054 ZJNACFSDFZANRO-UHFFFAOYSA-N 380.581 4.988 5 1 GJBF COc1cccc(-c2ccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c(Cl)c2)c1 587052400 RRPKMVWSGDHPON-UHFFFAOYSA-N 380.791 4.862 5 1 GJBF COc1ccc2nc3ccc(OC)cc3c([S@@](=O)Cc3ccccc3)c2c1 5854538 MSLAKSKHMJRNRM-HHHXNRCGSA-N 377.465 4.713 5 1 GJBF O=[N+]([O-])c1cnc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 587069487 BYGUEAHHYFIJNF-UHFFFAOYSA-N 386.198 4.902 5 1 GJBF CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)ccc1OC(F)F 587129750 FUDVXNDTWLRKIX-ALCCZGGFSA-N 389.358 4.950 5 1 GJBF COc1cc(OC)c2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc2c1 587272470 UGFJGYUIRJTLSW-UHFFFAOYSA-N 391.383 4.948 5 1 GJBF COc1cc(C[C@@H](O)c2ccc(-c3ccc(C)cc3)cc2)c([N+](=O)[O-])cc1OC 653708464 KVRIOBMGNXKJCV-OAQYLSRUSA-N 393.439 4.864 5 1 GJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc3c(cc2[nH]1)OCCO3 586974469 UQOGCBXYDPHIFQ-UHFFFAOYSA-N 385.445 4.657 5 1 GJBF CC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747104 MAMNOKSYCJXEPF-VOJFVSQTSA-N 393.256 4.684 5 1 GJBF O=C(Nc1ccc(NC2CCCCC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1O 38171442 UBXDUTCFYOONBL-UHFFFAOYSA-N 389.839 4.951 5 1 GJBF O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1)c1csc2ccccc12 71294562 VPWPLNMNZHQEIO-MRXNPFEDSA-N 395.484 4.569 5 1 GJBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cccc(O)c4[nH]c13)CCC(C)(C)O2 238755451 FLXKCCVEJAHWOT-UHFFFAOYSA-N 379.456 4.705 5 1 GJBF Fc1cc(Br)cnc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587157428 LLQVBQIBLVKYIS-UHFFFAOYSA-N 394.207 4.623 5 1 GJBF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccc([N+](=O)[O-])cc2s1 587873244 WMVVLINWOJZDIN-UHFFFAOYSA-N 384.392 4.595 5 1 GJBF CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1cccc(Cl)c1Cl 66074432 YRCUIVCMRIBNPT-MRXNPFEDSA-N 378.215 4.599 5 1 GJBF O=C(/C=C/c1c2ccccc2c(Br)c2ccccc12)N1CCOCC1 169321711 OVGVTPXDDFVGFM-MDZDMXLPSA-N 396.284 4.628 5 1 GJBF O=[N+]([O-])c1cncc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587041384 YXHDGNPIFPUBLU-UHFFFAOYSA-N 389.440 4.712 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc([N+](=O)[O-])c1Cl 587542779 JJKJLFARLLQAFP-UZLBHIALSA-N 397.770 4.657 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586885444 MUFCSSCAOGDYEN-UGSOOPFHSA-N 384.233 4.605 5 1 GJBF CCC[C@H](C)COC(=O)c1cc(C(=O)OC[C@@H](C)CCC)cc([N+](=O)[O-])c1 40876726 AAFNISXYCGJZPH-GJZGRUSLSA-N 379.453 4.781 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3csc4ccc(O)cc34)[nH]c12 587031938 CKXWWCPKTVFPLB-UHFFFAOYSA-N 390.218 4.821 5 1 GJBF Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)nc2cccc3c2c1CC3 587207592 GZFFAQBCRVUADZ-UHFFFAOYSA-N 385.217 4.685 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1[N+](=O)[O-] 587547297 LODQSSKTOXLPCD-PXNSSMCTSA-N 397.770 4.657 5 1 GJBF O=C1N[C@H](O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21 6567616 WGAFRSXCWMBYJY-LJQANCHMSA-N 396.233 4.997 5 1 GJBF biogenic CCc1cccc2nc3c(Br)cc(Br)c(O)c3nc12 1857651944 GOFCPRUXLXKCQV-UHFFFAOYSA-N 382.055 4.576 5 1 GJBF Cc1cc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587721470 VXOYHSURRGUJDC-XYZCENFISA-N 397.219 4.568 5 1 GJBF COc1ccc(C(=O)c2c(C(F)(F)Cl)[nH]c3cccc([N+](=O)[O-])c23)cc1 587645063 JOFDMTJKTUUARK-UHFFFAOYSA-N 380.734 4.604 5 1 GJBF Cc1cc([N+](=O)[O-])ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587749913 ZZZXJPRPRJWMBC-ZMZPIMSZSA-N 393.256 4.603 5 1 GJBF CCCOc1ccc(NCCN(CC)CC)c2c(=O)c3ccccc3sc12 205260063 UYPYDENHZQTIEG-UHFFFAOYSA-N 384.545 4.957 5 1 GJBF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cccc([N+](=O)[O-])c1Cl 962373488 MPDICWQNKMGZHL-LJQANCHMSA-N 387.892 4.796 5 1 GJBF CCN(CC)CCOc1ccc2c(=O)c3c(Cl)cc(Cl)cc3[nH]c2c1 1857615011 HVYHDOVIJLFLJJ-UHFFFAOYSA-N 379.287 4.709 5 1 GJBF Cc1cccc([N+](=O)[O-])c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748549 XPFGXGJRAPWIPC-BBATYDOGSA-N 393.256 4.603 5 1 GJBF CCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587749881 ZXZREOSOLSKEMP-MGNBDDOMSA-N 393.256 4.682 5 1 GJBF Cc1cccc2/c(=N/C(=S)NCCc3cccs3)c3ccccc3[nH]c12 45245414 SWUMGZGZGFHPHP-UHFFFAOYSA-N 377.538 4.709 5 1 GJBF Cc1c(-c2cc([N+](=O)[O-])ccc2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987679 QGXHEURLHCTSRV-UHFFFAOYSA-N 398.374 4.741 5 1 GJBF CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)c3cc(C)cc(N)c3O2)o1 587391791 YYCMRPFGTKDAJY-QFIPXVFZSA-N 392.411 4.550 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1ccnc3c([N+](=O)[O-])cccc13)CC2=O 587468825 BIDPJOKPNXVLOE-LJQANCHMSA-N 378.384 4.508 5 1 GJBF CC(C)([C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)[C@@H](C[N+](=O)[O-])c1ccccc1 587512084 UAWRSOANLOYCSB-UNMCSNQZSA-N 393.483 4.986 5 1 GJBF O=[N+]([O-])c1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1[N+](=O)[O-] 587050510 PEYCIXYHXHLXOV-YUMQZZPRSA-N 393.186 4.957 5 1 GJBF Fc1cc(Br)cnc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587158296 WAQILJMGBRNEBZ-UHFFFAOYSA-N 394.207 4.623 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 587541972 GYPRMFZSXOVHIM-FXAWDEMLSA-N 397.770 4.657 5 1 GJBF CN1CCC(NC(=O)c2cc3c4ccccc4[nH]c3c3c2[nH]c2ccccc23)CC1 1857555604 MJUXGYDNNOAUNU-UHFFFAOYSA-N 396.494 4.780 5 1 GJBF Cc1ccc([C@]2(c3ccccc3)NCCc3ccc(F)c(C)c32)cc1[N+](=O)[O-] 962144516 LHEBDEAPYJJXDO-QHCPKHFHSA-N 376.431 4.788 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882922 CYQOMASKGFKOOW-WOLPVMLTSA-N 376.254 4.701 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3Cc4ccccc4S3)[nH]c12 587043527 RAUFMVCORJTLFP-ZDUSSCGKSA-N 376.235 4.623 5 1 GJBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263676 NMZQVYMXBNZVAF-ZNZDAUKMSA-N 387.439 4.530 5 1 GJBF COc1ccc(C)cc1C(=O)CCc1nc2c3cccnc3c3ncccc3c2[nH]1 587787707 QPVGSQSUMWVXIR-UHFFFAOYSA-N 396.450 4.792 5 1 GJBF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1[N+](=O)[O-] 586986544 CMAVUIHDRCOKNA-UHFFFAOYSA-N 398.374 4.736 5 1 GJBF O=c1c(-c2cccc([N+](=O)[O-])c2)nc2cc(Cl)ccc2n1Cc1ccccc1 1772627681 FWRKYYCNHIXJGN-UHFFFAOYSA-N 391.814 4.673 5 1 GJBF CCc1cnc(-c2cnc(N[C@@H](C)CC)nc2-c2cccc([N+](=O)[O-])c2)s1 82163796 JCPHQMDTJIFHPF-LBPRGKRZSA-N 383.477 4.948 5 1 GJBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cccc(O)c4oc13)C(C)(C)[C@H](C)O2 2356580111 OILULLINVWDQIN-LBPRGKRZSA-N 380.440 4.925 5 1 GJBF COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)c1 101152035 RLCOOYBGUNLNOM-IUTQVRIDSA-N 395.523 4.608 5 1 GJBF CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622476 BUSVXMWQBJTXJU-UHFFFAOYSA-N 385.221 4.944 5 1 GJBF C[C@]1(COCc2ccc(Oc3ccccc3)cc2)Cn2c([N+](=O)[O-])cnc2S1 1772585963 IZPWIFQTMIXZPD-HXUWFJFHSA-N 397.456 4.665 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1ccc3ncccc3c1[N+](=O)[O-])CC2=O 587468989 CECSYCLTDIDJOH-IBGZPJMESA-N 378.384 4.508 5 1 GJBF O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2OC(F)F)Oc2c1ccc1c2CCCC1 587501322 BDEAKQNIRYVTNN-SFHVURJKSA-N 389.354 4.782 5 1 GJBF COc1ccc2c(=O)c3cc(C(=O)N[C@H](C)c4ccc(C)cc4)ccc3oc2c1 103228850 MLJXJNPFRHEGRJ-OAHLLOKOSA-N 387.435 4.754 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1[N+](=O)[O-] 587541029 CZTJKGROQXFXBS-XLIONFOSSA-N 397.770 4.657 5 1 GJBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2NCCc3c2sc(C)c3C)o1 963034079 XHUQJNRAXZBNOT-IBGZPJMESA-N 384.457 4.777 5 1 GJBF CC(C)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3=O 5834851 RNHRERUWTCRGAX-UHFFFAOYSA-N 381.435 4.969 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1c(O)ccc3cc([N+](=O)[O-])ccc13)CC2=O 587470563 LFVPVIJNPQOXPW-FQEVSTJZSA-N 393.395 4.818 5 1 GJBF O=[N+]([O-])c1ccccc1[C@@H]1N2CCCC[C@H]2[C@@H]2c3[nH]c4ccccc4c3CCN21 19319246 CLPYZIKKIHOWQZ-MDNUFGMLSA-N 388.471 4.542 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc(CCCCc3cccc(O)c3)[nH]c12 586896060 IHKSMRNDVNNOMA-UHFFFAOYSA-N 390.237 4.505 5 1 GJBF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc([N+](=O)[O-])cc3CC1)CC2=O 587468953 CCLBEVPOTWIRBB-QFIPXVFZSA-N 381.428 4.536 5 1 GJBF COc1ccc(-c2ccc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2)cc1OC 587928806 MMNZNCSUPSMQDZ-UHFFFAOYSA-N 375.384 4.822 5 1 GJBF O=[N+]([O-])c1ccc(OCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1F 587151854 UXKYCJMZMMIDPV-UHFFFAOYSA-N 389.692 4.861 5 1 GJBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587268192 NPZCWSHEOJEBKT-UHFFFAOYSA-N 387.749 4.512 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cccc([N+](=O)[O-])c1)CC2=O 587473353 SKLHYTWBOVWKJE-NRFANRHFSA-N 392.411 4.750 5 1 GJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[N+]1([O-])CCC[C@H]1C3 14824831 XONNMKIJHBQVSA-LNYMIDHXSA-N 379.456 4.552 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Cl 587012209 HKDYGXWSFKTSKN-UHFFFAOYSA-N 399.657 4.888 5 1 GJBF CC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747102 MAMNOKSYCJXEPF-BBATYDOGSA-N 393.256 4.684 5 1 GJBF C[C@H]1Oc2cc3oc4c5c(c(O)cc4c(=O)c3c(O)c2C1(C)C)OC(C)(C)C=C5 2356337059 UNAGKSRBZSVESZ-SNVBAGLBSA-N 394.423 4.600 5 1 GJBF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1ccc([N+](=O)[O-])cc1 103232682 KUAUNEPSDUFXSY-HXUWFJFHSA-N 375.380 4.719 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@H]3SCCc4sccc43)[nH]c12 587036417 ANAVFYTYWGINDQ-ZDUSSCGKSA-N 396.291 4.674 5 1 GJBF C[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)C=C(c2ccccc2F)NO1 587156707 PDAMPILMEWJQOC-HSZRJFAPSA-N 397.413 4.590 5 1 GJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Br)cc3[nH]2)c1 587269016 HCVQKONFLGXWOA-UHFFFAOYSA-N 387.237 4.501 5 1 GJBF O=C(Nc1nc2c(ccc3onc(-c4ccccc4[N+](=O)[O-])c32)s1)C1CCC1 13660919 GYCNAFKKZSIOFO-UHFFFAOYSA-N 394.412 4.751 5 3 GJBF CCc1cnc(-c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163647 BFMZMAUNJSAGRM-UHFFFAOYSA-N 395.488 4.728 5 1 GJBF C[C@H](Sc1nc(N)cc(O)n1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586961977 MXEASBOMKRYEEB-NSHDSACASA-N 387.468 4.800 5 1 GJBF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587068623 ADFWHCOFHVVLPG-CQSZACIVSA-N 387.874 4.598 5 1 GJBF O=C1C[C@@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587512596 ZHWMCDIWBUYDSG-QFIPXVFZSA-N 392.455 4.780 5 1 GJBF CCOC(=O)c1c(-c2cc(F)c(Cl)nc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587645667 HCBXBBCILKABFH-UHFFFAOYSA-N 398.177 4.761 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccccc2[N+](=O)[O-])N1 587746846 LKXQNAOBDKPMGG-GVMAILNXSA-N 391.240 4.785 5 1 GJBF COc1cc(C[C@H](O)c2ccc(-c3cccc(F)c3)cc2)c([N+](=O)[O-])cc1OC 653714226 CKYUWESAPUOLPB-FQEVSTJZSA-N 397.402 4.694 5 1 GJBF Nc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cnc2c(F)cccc12 587175751 AIRJQWXGWVAGSP-UHFFFAOYSA-N 380.386 4.596 5 1 GJBF O=C(O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587273052 ZWHASDAXLDRJJD-UHFFFAOYSA-N 375.340 4.629 5 1 GJBF Cc1c(F)ccc2c1[C@](c1ccc(F)cc1)(c1ccc([N+](=O)[O-])cc1)NCC2 962297138 IJCIEQBDPOHGSJ-QFIPXVFZSA-N 380.394 4.619 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1F 587137078 RTNUZTVHONNLCM-UHFFFAOYSA-N 388.555 4.832 5 1 GJBF CC[C@H](C)NC(=O)c1cc2ccccc2c(-c2cc([N+](=O)[O-])ccc2Cl)n1 28333716 JOEJSBQZAAFMQL-LBPRGKRZSA-N 383.835 4.992 5 1 GJBF O=C(O)c1cc(F)cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12 587271900 KUVHLCVAGHPFIJ-UHFFFAOYSA-N 393.330 4.768 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N1 587754393 YIQNBAFHLFJRDP-WLWFQKCCSA-N 391.240 4.785 5 1 GJBF COc1ccc(-c2ccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c(O)c2)cc1OC 587928132 ZAASTCNWSFRGBR-UHFFFAOYSA-N 391.383 4.528 5 1 GJBF O=C(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccc([N+](=O)[O-])cc1 28569730 NSRFGHDKVJDFJE-SFHVURJKSA-N 377.425 4.648 5 1 GJBF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c(F)c2)c1 587138526 MASSONIAXKKOBY-UHFFFAOYSA-N 395.321 4.782 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2Cl)N1 587691496 BQMWIBDMQXDPSA-ZKANADHPSA-N 399.647 4.773 5 1 GJBF O=[N+]([O-])c1ccccc1COc1nc(C(Cl)(Cl)Cl)nc2ccccc12 653891141 IBROXRGQAMBOFY-UHFFFAOYSA-N 398.633 4.944 5 1 GJBF Cc1nc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2cc1Br 587265119 MWHGGKSBKUSECV-UHFFFAOYSA-N 399.204 4.864 5 1 GJBF Nc1ccccc1Sc1ccc(CNc2ccccc2C(=O)O)cc1[N+](=O)[O-] 1911578224 CIKWSIPNUVMDQN-UHFFFAOYSA-N 395.440 4.639 5 1 GJBF Cc1ccsc1CN(C(=O)OC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 101152321 LCFLTSGKHHHXPL-RTBURBONSA-N 385.553 4.970 5 1 GJBF Cc1csc(SCc2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)n1 587021454 LSKFMKCZJAGYNE-UHFFFAOYSA-N 383.458 4.590 5 1 GJBF CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587579089 YHVPQMCNNYESHT-DENIHFKCSA-N 391.379 4.566 5 1 GJBF Cc1c(-c2nc3ccc4ncccc4c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979292 AMBHPPFWZIGGQP-UHFFFAOYSA-N 383.205 4.757 5 1 GJBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587062868 BXMBFKLSIIKMEQ-UHFFFAOYSA-N 380.791 4.766 5 1 GJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 586968328 CDMBXWNTTZBAJC-UHFFFAOYSA-N 397.382 4.647 5 1 GJBF O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1coc2cc([N+](=O)[O-])ccc12 587279788 ATHNKHAGFPQPLR-UHFFFAOYSA-N 378.296 4.740 5 1 GJBF COc1ccc(CCCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1OC 587926297 WGLSSGIDZNPFFF-UHFFFAOYSA-N 398.466 4.852 5 1 GJBF CC(=O)Oc1ccc(Cn2c(C)nc3c([N+](=O)[O-])c(Cl)c(Cl)cc32)cc1 653700478 HXBWTZQQMLTAEX-UHFFFAOYSA-N 394.214 4.533 5 1 GJBF Cc1c2cccc-2c(OCCOC(=O)n2ccnc2)cc2c1[nH]c1ccccc12 1659269 PYPCCZJSFSVNLG-UHFFFAOYSA-N 385.423 4.995 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3SCCc4sccc43)[nH]c12 587036416 ANAVFYTYWGINDQ-CYBMUJFWSA-N 396.291 4.674 5 1 GJBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc([N+](=O)[O-])cc4C)o1)[C@@H](C2)C3=O 587431823 HGRGGTQDGKCCET-KSFYIVLOSA-N 391.379 4.661 5 1 GJBF COc1cc(C[C@H](O)c2ccc(-c3ccccc3F)cc2)c([N+](=O)[O-])cc1OC 653714230 DBEWJYRQFDHPDF-FQEVSTJZSA-N 397.402 4.694 5 1 GJBF CCNCCCNc1nccc2c(C)c3c(c(C)c12)c1cc(O)ccc1n3C 29488516 IIKWVXMURNUUFB-UHFFFAOYSA-N 376.504 4.614 5 1 GJBF COc1cc(-c2ccc3ncnc(Nc4cccc([N+](=O)[O-])c4)c3c2)ccc1O 143284173 BVLCRQIUDNYCEV-UHFFFAOYSA-N 388.383 4.663 5 1 GJBF CC1(C)C=Cc2cc3c(=O)c4c(O)cc5c(c4oc3c(O)c2O1)OC(C)(C)C=C5 238789802 BBFIJCDLXSWNIO-UHFFFAOYSA-N 392.407 4.726 5 1 GJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 586968742 IJPWFIMTPMYMKH-UHFFFAOYSA-N 389.408 4.724 5 1 GJBF Oc1c(Br)cc(Br)c2nc3cc(Cl)ccc3nc12 1857768481 VIHLJEGPDPQBMQ-UHFFFAOYSA-N 388.446 4.667 5 1 GJBF O=[N+]([O-])c1ccc(Nc2nnc(-c3cccnc3Nc3ccc(F)cc3)o2)cc1 169325152 QAEJHIFITWSWDP-UHFFFAOYSA-N 392.350 4.666 5 1 GJBF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587070946 UMSUDKVXYHQSCB-AWEZNQCLSA-N 387.874 4.598 5 1 GJBF COc1c(Cl)cc(Cl)cc1[C@H](O)c1[nH]c(Cl)c(Cl)c1[N+](=O)[O-] 14684498 VVULWSWLJUXPTK-JTQLQIEISA-N 386.018 4.627 5 1 GJBF biogenic,in-vitro Cc1cc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2cc1[N+](=O)[O-] 587077395 WTNIHAUXCBBCKJ-UHFFFAOYSA-N 380.791 4.868 5 1 GJBF Cc1ccc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c([N+](=O)[O-])c1 587623200 NRIGOOMQYLKQES-UHFFFAOYSA-N 385.221 4.999 5 1 GJBF COc1ccc(Cl)c2c1CCN[C@]21C=C(Nc2ccccc2[N+](=O)[O-])CCC1 963257971 MPSPLKNJGHVFPN-OAQYLSRUSA-N 399.878 4.778 5 1 GJBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cc(C(F)(F)F)ccc3c21 13519380 WMGQBOOUMYHZOR-UHFFFAOYSA-N 393.324 4.858 5 1 GJBF Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cn(-c2ccccc2)nn1 98083161 XDKDKWCIMKPUSY-UHFFFAOYSA-N 394.413 4.506 5 1 GJBF CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc([N+](=O)[O-])cc2)s1 206864949 LKPRWDJJVKRPFB-HXUWFJFHSA-N 393.468 4.985 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882869 CLZTWTMURQFPAL-YBIKONCISA-N 376.254 4.701 5 1 GJBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1Cl 587232217 OTFSMALUDIUVOA-UHFFFAOYSA-N 382.807 4.674 5 1 GJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2)cc1 587271522 DYLMIMRSHVDDPC-UHFFFAOYSA-N 375.340 4.659 5 1 GJBF CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587509810 JKADKGCLYOEVEV-QFIPXVFZSA-N 381.428 4.753 5 1 GJBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 586978138 XXTJWDVZWRJEQP-UHFFFAOYSA-N 388.008 4.602 5 1 GJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587268732 CICXITGJDHXGPC-UHFFFAOYSA-N 378.766 4.670 5 1 GJBF O=C(c1cc(Cl)cc(Br)c1)c1coc2cc([N+](=O)[O-])ccc12 587279960 WPCSXPRKMYTVOG-UHFFFAOYSA-N 380.581 4.988 5 1 GJBF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Oc1ccccc1[N+](=O)[O-] 587622867 INMQCQJVDGLMFR-UHFFFAOYSA-N 387.193 4.816 5 1 GJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C[C@](F)(Cl)C(F)(F)Br 587644913 FRAPJBAZUCYGTK-LLVKDONJSA-N 385.567 4.819 5 1 GJBF CC1(C)C=Cc2c(cc3oc4cc(O)c5c(c4c(=O)c3c2O)CCC(C)(C)O5)O1 98206543 GNAKQPCICCWJIB-UHFFFAOYSA-N 394.423 4.645 5 1 GJBF O=C(Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1O 169323604 MBMZSMSWYWIIFK-UHFFFAOYSA-N 391.427 4.696 5 1 GJBF FC(F)(F)COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccn1 587092018 QONIEMMUYNNTSD-UHFFFAOYSA-N 395.344 4.662 5 1 GJBF C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 84759385 GPZMWOXSIRVXQW-OAHLLOKOSA-N 378.428 4.599 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cc([N+](=O)[O-])ccc3n1)CC2=O 587470572 LKHSVYOYQRJMQW-HXUWFJFHSA-N 378.384 4.508 5 1 GJBF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)([O-])[C@@H]2N3C)cc1 27195333 BUFXKBAJCGWYSI-OYICLKKBSA-N 395.503 4.803 5 1 GJBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(C)(C)C 587203239 DNTULFMBAOQYPY-AWEZNQCLSA-N 396.875 4.606 5 1 GJBF COc1cc2oc3c(Cl)c(OC)c(Cl)c(C)c3c(=O)c2c(O)c1Cl 2356854615 RQSKYECJFBMMPK-UHFFFAOYSA-N 389.618 4.938 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc(CCCCc3cccc(O)c3)[nH]c12 586896081 JFOMXBAPESQUMP-UHFFFAOYSA-N 390.237 4.505 5 1 GJBF Cc1cc(N(C)Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F 587136993 NOOSBUVOPZWXNP-UHFFFAOYSA-N 383.210 4.862 5 1 GJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nc(Br)ccc3[nH]2)o1 587266124 VKMOLXWIGIEDIZ-UHFFFAOYSA-N 385.177 4.556 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2=O 587468903 BSTZYBZWTBUUJE-OAQYLSRUSA-N 380.400 4.615 5 1 GJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)o1 587266196 WVWBALZQKTUEPU-UHFFFAOYSA-N 377.253 4.955 5 1 GJBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587267897 UFAYCFPJWUYOJE-CYBMUJFWSA-N 379.445 4.737 5 1 GJBF Cc1nc(-c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174089 DHUMBRVOANLXHO-UHFFFAOYSA-N 379.420 4.678 5 1 GJBF O=[N+]([O-])c1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)ccc1O 299870599 WNVWVOQQTZUKEH-UHFFFAOYSA-N 393.330 4.949 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 587697200 MZVVUKPLKQZYOV-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF COc1cc(OC)c(/C=C/SCc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 84614521 LUDRFOOMDPFNOC-BQYQJAHWSA-N 391.445 4.533 5 1 GJBF O=[N+]([O-])c1ccc(Cn2ccc3c4cc(Br)ccc4nc-3c2)cc1 377816226 FNBPKYVATQXMQZ-UHFFFAOYSA-N 382.217 4.860 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586883979 FSWHIFGXPNEBTG-KZULUSFZSA-N 384.233 4.605 5 1 GJBF Cc1cc2[nH]c([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)nc2cc1[N+](=O)[O-] 587198521 ICOBURVSDKFEJX-IBGZPJMESA-N 396.447 4.745 5 1 GJBF O=C(O)CCCCCCCCCCCCc1nc2cncc([N+](=O)[O-])c2[nH]1 587957518 MMPWMUKQANLJGH-UHFFFAOYSA-N 376.457 4.784 5 1 GJBF O[C@H](C[C@H]1CCCCN1)c1cc2cc3c(cc2c2cc(Cl)ccc12)OCO3 169339508 AFJRESZEWIJSHC-FOIQADDNSA-N 383.875 4.941 5 1 GJBF COc1cc(Cc2c(O)cc(OC)c3c2ccc2cc(O)ccc23)ccc1O 238784180 VBYBLUADDQAWPX-UHFFFAOYSA-N 376.408 4.718 5 1 GJBF COc1cccc(-c2ccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c(Cl)c2)c1 587052340 OTZYLWDUYNBVIU-UHFFFAOYSA-N 380.791 4.862 5 1 GJBF C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339475 UFUHYHUDSYZZOH-UNMCSNQZSA-N 393.370 4.714 5 1 GJBF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)Cl)cc1 587644868 FGOHFNVMZHVHEW-UHFFFAOYSA-N 380.734 4.766 5 1 GJBF CCN(CC)CCCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12 64540917 SZDYBGAMMLTHJO-UHFFFAOYSA-O 375.540 4.833 5 1 GJBF CCOc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCCN1C3 103187335 KOPYHSCOVDZYAS-OAHLLOKOSA-N 377.484 4.929 5 1 GJBF O=C1CS[C@@H](c2cc3ccccc3nc2Cl)N1c1ccccc1[N+](=O)[O-] 103194983 KEELBRCNCWEOAL-SFHVURJKSA-N 385.832 4.575 5 1 GJBF O=[N+]([O-])c1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] 587956342 XSHVCOXXAUGYJH-INIZCTEOSA-N 388.383 4.754 5 1 GJBF CO[C@](C(=O)c1coc2cc([N+](=O)[O-])ccc12)(c1ccccc1)C(F)(F)F 587280060 HYIGYUZEBAPWHX-KRWDZBQOSA-N 379.290 4.628 5 1 GJBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cccc(O)c4n(C)c13)CCC(C)(C)O2 238735478 PPAVBDPVSWCJDM-UHFFFAOYSA-N 393.483 4.715 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1[N+](=O)[O-] 587541027 CZTJKGROQXFXBS-FXAWDEMLSA-N 397.770 4.657 5 1 GJBF COc1cccc([C@H](C)Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587930489 IRLHAJBNQDYSOB-SNVBAGLBSA-N 390.237 4.588 5 1 GJBF COc1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260829 HWOCRMWFICDKAV-UHFFFAOYSA-N 399.350 4.767 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)ccc1[N+](=O)[O-])CC2=O 587464941 ZMGMWGIZEWIWHX-KRWDZBQOSA-N 395.333 4.978 5 1 GJBF O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3Br)c(-n3ccnc3)c12 587643946 LBLLSKYZHXHSOJ-UHFFFAOYSA-N 383.205 4.691 5 1 GJBF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587950574 CYAFZFSRLKGLJZ-NSHDSACASA-N 378.344 4.673 5 1 GJBF Cc1nc(-c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163435 JKVKPLSSEUOBRJ-UHFFFAOYSA-N 379.420 4.678 5 1 GJBF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587784414 GXRBPMQUTOZUFE-MSOLQXFVSA-N 394.434 4.603 5 1 GJBF COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)C)c4c(C)c3c2c1 6069477 SGVCFQKSBLMBTC-UHFFFAOYSA-N 376.504 4.858 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3ccc(F)cc3F)[nH]c12 587150284 ROEBIWAXAQKCBY-RQOWECAXSA-N 380.148 4.682 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1)O2 587372877 BBBHJQFZRQGMHL-IBGZPJMESA-N 397.818 4.636 5 1 GJBF CC(C=CC=C(C=CC1=C(C)C[C@H](O)CC1(C)C)CO)=CC=CC=C(C)CO 2356599961 SJIHBBFQZMANOC-QHCPKHFHSA-N 384.560 4.956 5 1 GJBF O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1CC[C@@H]3O1 101426157 UUGQYFCRDPAFOP-ROUUACIJSA-N 379.419 4.967 5 1 GJBF Cc1ccc(-c2cc(C(=O)NCCN(C)C)c3ccc4ccccc4c3n2)cc1 1857561909 RTKAXONDKFWANQ-UHFFFAOYSA-N 383.495 4.655 5 1 GJBF c1ccc(Oc2cccc(-c3nnc4nnc5c6ccccc6[nH]c5n34)c2)cc1 98083615 WNTYPYVIXYEKAR-UHFFFAOYSA-N 378.395 4.613 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)O2 587389142 JFOVEZQVSJVBSP-NRFANRHFSA-N 390.395 4.984 5 1 GJBF CCN(CC)c1ccc2c(=O)c3cc4c(c(OC)c3oc2c1)C=CC(C)(C)O4 103146643 ILUBHRYAVPXECA-UHFFFAOYSA-N 379.456 4.985 5 1 GJBF Nc1c(NC(=O)CCc2cc(Cl)cc(Cl)c2)cc(Cl)cc1[N+](=O)[O-] 299864070 LTWWQICPXULSAT-UHFFFAOYSA-N 388.638 4.709 5 1 GJBF COc1ccccc1OCc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)o1 587279996 GDEOXJPXAUYWFT-UHFFFAOYSA-N 393.351 4.753 5 1 GJBF CCCSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1 100705959 URQUKIWRNLHGSW-UHFFFAOYSA-N 380.429 4.641 5 1 GJBF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587163301 OIAJJWVTGPFNGJ-UHFFFAOYSA-N 379.322 4.647 5 1 GJBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(O)c(-c2ccccc2)c1 587926150 LKCBPFANZVTSAF-HNNXBMFYSA-N 396.443 4.985 5 1 GJBF Cc1cc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2cc1Cl 587265159 PIUVJESBRJPJHB-UHFFFAOYSA-N 395.850 4.962 5 1 GJBF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587158348 CWKLTUISNXFWCV-UHFFFAOYSA-N 377.375 4.877 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)s1)O2 587410753 PAPVBNKYFOMVPQ-QGZVFWFLSA-N 380.425 4.920 5 1 GJBF O=C(/C=C/c1ccccc1)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772615512 HMTUJQFIHIDNOT-CCEZHUSRSA-N 393.490 4.750 5 1 GJBF NC1CCC(NCCCCNCc2c3ccccc3cc3ccccc23)CC1 13529684 WZMGVGQCDBCNHZ-UHFFFAOYSA-N 375.560 4.722 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2cccc3ccc4cccc1c4c23 587410306 ZORMZGVFAXWBIT-VWLOTQADSA-N 379.415 4.941 5 1 GJBF O=[N+]([O-])c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586960801 PLTIBNKYUPXGFJ-NDEPHWFRSA-N 391.452 4.509 5 1 GJBF CC1(C)CC(=O)C(c2c(-c3ccc(F)cc3)[nH]c3cccc([N+](=O)[O-])c23)C(=O)C1 587645972 PBRYYBHEEOQEAD-UHFFFAOYSA-N 394.402 4.924 5 1 GJBF COc1ccc2c(c1)C[C@@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)CC2 587946100 JSMGQRVDLQNILQ-HNNXBMFYSA-N 380.451 4.940 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1Cl 587120374 GOVGTGCPWRZFFK-UHFFFAOYSA-N 381.701 4.687 5 1 GJBF CC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587743505 AUMIRFHZEKYBHG-ADLMAVQZSA-N 393.256 4.684 5 1 GJBF CCN(CC)CCCNc1nncc2cc3c([nH]c4ccc(OC)cc43)c(C)c12 1862639 IJOMQPXTLOZXNS-UHFFFAOYSA-N 391.519 4.725 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587153181 WREKPTVONTWVCR-ZJUUUORDSA-N 394.175 4.783 5 1 GJBF O=C(c1ccccc1O)c1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645872 NDEJFLMIOGKXKH-UHFFFAOYSA-N 376.343 4.819 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882919 CYQOMASKGFKOOW-OXKORPGDSA-N 376.254 4.701 5 1 GJBF O=[N+]([O-])c1cccc(COc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 653891171 QUVOQWSODIDVOA-UHFFFAOYSA-N 398.633 4.944 5 1 GJBF COc1ccc2c(c1)N=C1CS[C@@H](c3c(Cl)cccc3[N+](=O)[O-])N1C2 6019828 NETABVDJINAVFY-KRWDZBQOSA-N 375.837 4.548 5 1 GJBF O=C(/C=C/c1c2ccccc2cc2ccccc12)N[C@@H](Cc1ccccc1)C(=O)O 95554888 LGVGTMCMZLDDEF-ZXYASIKESA-N 395.458 4.818 5 1 GJBF O=[N+]([O-])c1ccc(Nc2ccc(NC(=S)Oc3ccc(O)cc3)cc2)cc1 1857770393 OJGKCHGMFMJGBT-UHFFFAOYSA-N 381.413 4.820 5 1 GJBF COc1cccc2c1CCC[C@@H]2CCC[N+]1(C)CCN(C2CCCCC2)CC1 45319763 BGWHWCHPLYOFHN-OAQYLSRUSA-N 385.616 4.990 5 1 GJBF COc1ccc2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)sc2c1 587034131 DKFMOCHBJUVQCO-UHFFFAOYSA-N 383.436 4.945 5 1 GJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Cl)c2[nH]1 587267075 SUFCKCHXWBVVMN-ZETCQYMHSA-N 396.190 4.859 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N1 587752331 RDEHBWMWYODKLL-SVYRJTOJSA-N 391.240 4.785 5 1 GJBF CN(C)CCN(C)C(=O)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccccc12 1857562615 GCAZSFFCWTWHFU-UHFFFAOYSA-N 384.483 4.589 5 1 GJBF Cc1cccc(-c2cc(C(=O)O)ccc2Nc2ccc([N+](=O)[O-])c3nonc23)c1 1857584422 VZAYXOHJCZDGBP-UHFFFAOYSA-N 390.355 4.548 5 1 GJBF CCCc1ccc2nc3c(O)c(Br)cc(Br)c3nc2c1 1857651402 XFZFPRPJDHCMMZ-UHFFFAOYSA-N 396.082 4.966 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)O2 587389143 JFOVEZQVSJVBSP-OAQYLSRUSA-N 390.395 4.984 5 1 GJBF Cc1cc(N(C)Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c([N+](=O)[O-])cc1F 587137410 YWSRGMFTMHWCMP-UHFFFAOYSA-N 383.210 4.862 5 1 GJBF CC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622537 CJDGEHDMANNYDA-UHFFFAOYSA-N 399.204 4.585 5 1 GJBF O=[N+]([O-])c1ccc(-c2cc(O)n(-c3ccc(O)c(-c4ccccc4)c3)c2O)cc1 587927495 VIEBBLLKTNYSLE-UHFFFAOYSA-N 388.379 4.836 5 1 GJBF O=[N+]([O-])c1ccc(C2=NC(=S)N[C@H](c3ccc(Cl)cc3Cl)C2)cc1 103164297 BIPDITDVSFECFZ-HNNXBMFYSA-N 380.256 4.710 5 1 GJBF CCOc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1C 587778699 POVCANWCKFPIMO-UHFFFAOYSA-N 376.210 4.608 5 1 GJBF COc1ccc2c(c1)[C@@](C)(c1cc([N+](=O)[O-])c(Cl)s1)N(C(C)C)CC2 962087022 DZOGEZWGRRJOML-SFHVURJKSA-N 380.897 4.848 5 1 GJBF C[C@@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)C=C(c2ccccc2F)NO1 587156710 PDAMPILMEWJQOC-QHCPKHFHSA-N 397.413 4.590 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1OC(F)F)CC2=O 587467243 RUQMQGYZJLJHBO-KRWDZBQOSA-N 393.342 4.561 5 1 GJBF CCOc1ccc2oc3c4ccccc4oc(=O)c3c2c1CN1CCCCC1=O 1857597158 IRMHLTDMYMJRJV-UHFFFAOYSA-N 391.423 4.604 5 1 GJBF O=[N+]([O-])c1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1[N+](=O)[O-] 587949914 NBZXMYMMMBWYDE-UHFFFAOYSA-N 390.355 4.762 5 1 GJBF O=C(c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cn1ccnc1 28709495 QAXQCKMQFQPMKA-UHFFFAOYSA-N 383.407 4.738 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc(CSCc3ccsc3)[nH]c12 587027118 PMIIOJABHPFHOU-UHFFFAOYSA-N 384.280 4.729 5 1 GJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)cc2[nH]1 587265879 UJTVMGAXOIGHJW-NSHDSACASA-N 383.408 4.850 5 1 GJBF O=[N+]([O-])c1ccc(-n2ccc([C@H](c3ccc(Cl)cc3)n3ccnc3)c2)cc1 1857610765 QTULDPYLTJTMSM-FQEVSTJZSA-N 378.819 4.873 5 1 GJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCCC[C@H]1C3 13378556 ANTGAFQZQJMDNP-HNNXBMFYSA-N 377.484 4.929 5 1 GJBF biogenic,in-vitro CN1CCN(C(=O)c2ccc3nc4ccccc4c(Oc4ccccc4)c3c2)CC1 28571333 FLONJMXROIQCQL-UHFFFAOYSA-N 397.478 4.568 5 1 GJBF O=[N+]([O-])c1cnc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 587015339 MRVHIKVOINGKKU-UHFFFAOYSA-N 392.227 4.963 5 1 GJBF Cc1nn(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1[N+](=O)[O-] 587097939 LSULZIMIIPJSKR-UHFFFAOYSA-N 398.422 4.524 5 1 GJBF O=C(O)c1ccc(-c2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)ccc2F)cc1F 587138739 STZPHYZQIIBIGO-UHFFFAOYSA-N 395.321 4.782 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1[N+](=O)[O-])(C1CC1)CC2=O 587473683 ZHQNZDLAEAAXKJ-JOCHJYFZSA-N 381.428 4.610 5 1 GJBF CC(C)([C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)[C@H](C[N+](=O)[O-])c1ccccc1 587512077 UAWRSOANLOYCSB-IRLDBZIGSA-N 393.483 4.986 5 1 GJBF C[C@]1(COCc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772623666 OFFDABWSQNAUDL-HXUWFJFHSA-N 397.456 4.665 5 1 GJBF CC(=O)c1cc2oc3cc(=O)c4cc(C(C)=O)cc5oc6cc(=O)c(c1)c2c6c3c54 146030074 CYYKWNPPQDVTRV-UHFFFAOYSA-N 396.354 4.640 5 1 GJBF CSc1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1 586980000 MBNYKMZCTXGZJO-UHFFFAOYSA-N 378.251 4.931 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587161686 PFIBCPPAJLPVHF-VXGBXAGGSA-N 376.185 4.644 5 1 GJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3ccccc3cc2[nH]1 587265963 VDMLBNDDWUVREY-NSHDSACASA-N 377.360 4.706 5 1 GJBF Cc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587643583 GMZPFDZNIWRWTJ-UHFFFAOYSA-N 386.622 4.933 5 1 GJBF Cc1ccc([N+](=O)[O-])c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587747617 PAZMBQYGUSULBU-ADLMAVQZSA-N 393.256 4.603 5 1 GJBF COc1ccc(C2(c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)CC3(CCC3)C2)cc1 587934555 CSQWHDZYXAHERD-UHFFFAOYSA-N 381.407 4.869 5 1 GJBF COc1ccc([C@@H](c2ccccc2)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 587937550 PFOFUFPVAUUKND-HXUWFJFHSA-N 377.375 4.799 5 1 GJBF Cc1ccccc1-c1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O 587937277 OVYUQCRSMCRZJM-UHFFFAOYSA-N 389.205 4.535 5 1 GJBF O=[N+]([O-])c1ccc([C@@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)cc1 19321916 ZQHNQGAJGJRLCF-YMPZKCBVSA-N 388.471 4.542 5 1 GJBF COc1ccc(-c2cc(=O)c3cc(OC)c4c(OC)ccc(OC)c4c3o2)cc1 299861195 KUFABZUNUBSUDC-UHFFFAOYSA-N 392.407 4.648 5 1 GJBF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccccc3[N+](=O)[O-])c2c1 587644025 ZDMZTJRFCTZNKR-LBPRGKRZSA-N 380.400 4.607 5 1 GJBF COc1cc(C[C@H](O)c2ccc(-c3ccc(F)cc3)cc2)c([N+](=O)[O-])cc1OC 653708448 GTRSWTFAACLWOR-FQEVSTJZSA-N 397.402 4.694 5 1 GJBF Cc1cc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880244 VZYLUEPAAWYHGV-UHFFFAOYSA-N 391.358 4.951 5 1 GJBF COc1ccc2c(c1)O[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)C2=O 49803025 PEDGTJVKEYCMHP-UNMCSNQZSA-N 375.380 4.704 5 1 GJBF O=C1c2ccccc2-c2cc(-c3cc4c(cc3[N+](=O)[O-])OCO4)nc3cccc1c23 587104253 FQLUTQOKRIQAKT-UHFFFAOYSA-N 396.358 4.750 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(Cl)c2)N1 587691663 CNNPOJBPCZRBRA-VPTHRUTESA-N 399.647 4.773 5 1 GJBF O=[N+]([O-])c1cccc2[nH]cc([C@@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)c12 962721659 WBMIZZBZPDMPLX-ZSEKCTLFSA-N 397.475 4.668 5 1 GJBF CCN(CC)C(=O)c1ccc2c(c1)c1ccccc1c(=O)n2Cc1ccccc1 169327719 ZNTCYNNJLGEPDK-UHFFFAOYSA-N 384.479 4.685 5 1 GJBF COc1ccc([N+]2=NC(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)C2)cc1 5360686 BUGDHZQZYREZCQ-UHFFFAOYSA-N 388.407 4.539 5 1 GJBF COc1ccc2c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)C2=O 49803096 YNIYQKMSQKDKEV-IRLDBZIGSA-N 375.380 4.704 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587151801 IVHGCDNBAWDLEO-IUCAKERBSA-N 394.175 4.783 5 1 GJBF Cc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587644315 UIUBTYDIIPSOSA-UHFFFAOYSA-N 386.622 4.933 5 1 GJBF CCOC(=O)c1c(-c2ccc(OCC)c(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587644628 IWORNGYCJLVXCK-UHFFFAOYSA-N 388.807 4.972 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc([N+](=O)[O-])c2Cl)N1 587691674 CTMMDCPZNALPBO-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF CNc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1[N+](=O)[O-] 586986400 AVUDLOBSWGVBFD-UHFFFAOYSA-N 397.390 4.769 5 1 GJBF COc1cccc(C(=O)c2c(C(F)(F)Cl)[nH]c3cc([N+](=O)[O-])ccc23)c1 587645308 PCXNXGZLOASMKO-UHFFFAOYSA-N 380.734 4.604 5 1 GJBF CC(=O)c1c(Nc2cc(F)cc(F)c2)nc2c([N+](=O)[O-])cc(Cl)cc2c1O 84634016 RFQGGYRAILCTMW-UHFFFAOYSA-N 393.733 4.726 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc([N+](=O)[O-])c2)N1 587701506 NOHWBHRCGNIGSH-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF O=C(O)/C(=C/c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1F 13780356 RLQSDBBDILNAMX-CPNJWEJPSA-N 393.370 4.938 5 1 GJBF Cc1c(-c2nc3ccc(OC(C)C)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979449 CTGVSGYMDMJXMD-UHFFFAOYSA-N 390.237 4.996 5 1 GJBF O=C(CCn1nc(C(F)(F)F)cc1C1CC1)c1coc2cc([N+](=O)[O-])ccc12 587280246 PLZYFFKOUSGELH-UHFFFAOYSA-N 393.321 4.707 5 1 GJBF O=[N+]([O-])c1ccc2[nH]c3nccc(NCc4cccc(Br)c4)c3c2c1 1857645023 WNIMGBYJJBDBEY-UHFFFAOYSA-N 397.232 4.999 5 1 GJBF CCOc1c(F)c(F)c2[nH]oc3c(F)c(F)c(OCC)c(F)c3[nH]c2c1F 26496200 KYRJLBNYPXTJCC-UHFFFAOYSA-N 394.271 4.999 5 1 GJBF CCCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@+](C)([O-])[C@@H]1N2C 261191435 ZILUEQLFAVLYQS-KJOQGJGQSA-N 395.503 4.632 5 1 GJBF COc1oc([C@H](O)CC(C)=CC(C)=Cc2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C 2356862790 ROROIGVKZSMGBC-LJQANCHMSA-N 399.443 4.647 5 1 GJBF O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccc(Br)cc1 5257814 UFWHQAPYEZNGQU-UHFFFAOYSA-N 378.229 4.798 5 3 GJBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)nc2ccccc12 64426417 XPDBDOFBEVEQQS-UHFFFAOYSA-N 376.294 4.806 5 1 GJBF Cn1c(C(=O)Nc2ccccc2[N+](=O)[O-])nc(-c2ccccc2)c1-c1ccccc1 96914894 VXTOINYPEDBODD-UHFFFAOYSA-N 398.422 4.915 5 1 GJBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1Cl 587047715 LJGBDQBRVRKSMD-HYXAFXHYSA-N 383.770 4.620 5 1 GJBF O=[N+]([O-])c1ccccc1[C@@H]1N2CCCC[C@@H]2[C@@H]2c3[nH]c4ccccc4c3CCN21 19320057 CLPYZIKKIHOWQZ-YMPZKCBVSA-N 388.471 4.542 5 1 GJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCC[N+]1([O-])C3 154263470 MUSNTDDWXDJEFG-LNYMIDHXSA-N 379.456 4.552 5 1 GJBF CC[N@@+](C)(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1 253635846 GHBQNWUSTNMXSR-QHCPKHFHSA-O 391.333 4.536 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O 587462550 OTSYNDKJCJRMCU-LJQANCHMSA-N 375.808 4.787 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1[N+](=O)[O-] 587547349 LVHPYFJHFZUFBA-PXNSSMCTSA-N 397.770 4.657 5 1 GJBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc([N+](=O)[O-])c1CC3 586987866 TVVIUNZFPKVFOB-UHFFFAOYSA-N 394.386 4.826 5 1 GJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1F 587140324 ZBKQWNCCMOBDKS-UHFFFAOYSA-N 375.665 4.829 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2[N+](=O)[O-])N1 587696298 SWFBDDSXWSQGAY-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF CCCCSC[C@@](C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820545 XRMJFKDBDARRQE-OAHLLOKOSA-N 376.400 4.836 5 1 GJBF COc1cc(F)ccc1-c1cccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587158382 DNGPEBOCMQGPCA-UHFFFAOYSA-N 377.375 4.877 5 1 GJBF CC(C)(C)OC(=O)N[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C1CCCC1 587227224 WYOLLDTVHRFQNO-OAHLLOKOSA-N 394.859 4.881 5 1 GJBF CC(=O)c1ccc(-c2cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)ccc2F)cc1 587139761 VFSOQHWFBNNIJR-UHFFFAOYSA-N 376.347 4.542 5 1 GJBF O=[N+]([O-])c1ccc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c([N+](=O)[O-])c1 587263823 FQZSXULCWONECB-UHFFFAOYSA-N 390.355 4.762 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c3cccnc13)CC2=O 587468941 CCDYORJLIGYXLR-LJQANCHMSA-N 378.384 4.508 5 1 GJBF CCOC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1[N+](=O)[O-] 587631393 KXFXQRBKXWSGDG-UHFFFAOYSA-N 376.771 4.641 5 1 GJBF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587150646 OCQOOTXFGMPAPI-ZETCQYMHSA-N 398.163 4.652 5 1 GJBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc([N+](=O)[O-])c4)s1)[C@@H](C2)C3=O 587449778 HDSASAAVDUZDQS-YCRPNKLZSA-N 393.420 4.821 5 1 GJBF CCOC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccccc1[N+](=O)[O-] 587631273 JVQMLDYWQKAGLM-UHFFFAOYSA-N 376.771 4.641 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1 587696091 PFASUCSOCILZFN-ZKANADHPSA-N 399.647 4.773 5 1 GJBF CC(=O)O[C@@H](C)c1nc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1 1772590312 CJXCRADCCGMMQS-YFKPBYRVSA-N 394.261 4.528 5 1 GJBF COc1cc2c(c(OC)c1OC)[C@H](Cc1ccc3ccccc3c1)[N+](C)(C)CC2 36184620 XPGJMSLOJIEWIQ-NRFANRHFSA-N 392.519 4.782 5 1 GJBF O=C1C[C@@H](c2cccn2-c2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587513457 SXOJINLQHIGSAE-QFIPXVFZSA-N 388.423 4.971 5 1 GJBF CCCC(Br)(CCC)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586970242 CHAVAVZZAYHQDQ-UHFFFAOYSA-N 385.218 4.570 5 1 GJBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc4ccccc4c3)c(CN3CCOCC3)c12 587648820 MANLETYXLGWHGN-UHFFFAOYSA-N 387.439 4.729 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2cc1[N+](=O)[O-] 587077143 ROWWDHAXCFTVKY-UHFFFAOYSA-N 395.762 4.762 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 587130475 KRCLDBWQNOFNGR-UHFFFAOYSA-N 384.136 4.502 5 1 GJBF COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587510614 MDCDZVSEMZWSEZ-JOCHJYFZSA-N 381.428 4.671 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccccc2[N+](=O)[O-])N1 587746850 LKXQNAOBDKPMGG-OSXSJPMVSA-N 391.240 4.785 5 1 GJBF Cc1cc(O)c(O)c(=O)cc1C(=O)c1ccc2ccc3cccc4ccc1c2c34 1857614552 JDXZFBHVKJDWPI-UHFFFAOYSA-N 380.399 4.895 5 1 GJBF COc1cc(-c2noc(C)c2/C=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 12474362 ZBHNVUQCYBDIJW-CMDGGOBGSA-N 396.399 4.754 5 3 GJBF COc1cccc(-c2cc(O)cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)c1 587933855 XCGUGVDDBMKOSL-UHFFFAOYSA-N 379.347 4.658 5 1 GJBF COc1c(Cl)c(O)c2c(=O)c3c(C)c(Cl)c(O)cc3oc2c1Cl 14769918 LECQPQROYCLIGV-UHFFFAOYSA-N 375.591 4.635 5 1 GJBF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccc([N+](=O)[O-])cc1)O2 587383865 HGAWLSPFIOVWDD-JOCHJYFZSA-N 392.386 4.534 5 1 GJBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4[N+](=O)[O-])s1)[C@@H](C2)C3=O 587452670 SOTGQDVEDNCJJG-QKKBWIMNSA-N 393.420 4.821 5 1 GJBF Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C(F)(F)F)c1 587095492 GSLAXDNNEVHCKD-UHFFFAOYSA-N 379.345 4.927 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1[N+](=O)[O-] 587547352 LVHPYFJHFZUFBA-YLJYHZDGSA-N 397.770 4.657 5 1 GJBF CCOc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1C 587778043 IBQYSUGBAJQNMT-UHFFFAOYSA-N 376.210 4.608 5 1 GJBF CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3o2)c(=O)c2cc(F)c(Cl)cc21 43014178 JMXVAMSPXYZCID-UHFFFAOYSA-N 387.754 4.530 5 1 GJBF CC1(C)C[C@@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc2O1 45350820 AXJORAYOMXRLIH-OAHLLOKOSA-N 391.880 4.837 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2=O 587468198 BWZAMNIRCHJGRC-RCDICMHDSA-N 383.444 4.856 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2)N1 587701590 NZLGYWXMGRPQKS-ZKANADHPSA-N 399.647 4.773 5 1 GJBF CO[C@@H](C)COC1CCC(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 587952044 LLHFKZXKGUQGRY-FHERZECASA-N 390.487 4.737 5 1 GJBF COc1ccc2c(c1)[C@](C)(c1cc([N+](=O)[O-])c(Cl)s1)N(C(C)C)CC2 962087005 DZOGEZWGRRJOML-GOSISDBHSA-N 380.897 4.848 5 1 GJBF CCN(CC)CCn1nc2c3ccccc3sc3c(NCCCN)ccc1c32 29331220 BVUVRHREFJDHRQ-UHFFFAOYSA-N 395.576 4.507 5 1 GJBF Cc1cccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 587055255 NWCARVHRPLGLEJ-MRXNPFEDSA-N 386.839 4.560 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc([N+](=O)[O-])c1Cl 587542776 JJKJLFARLLQAFP-JXFKEZNVSA-N 397.770 4.657 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N1 587752329 RDEHBWMWYODKLL-HBRSOCQSSA-N 391.240 4.785 5 1 GJBF CN1CCc2c(Br)cccc2[C@@]1(C)c1cc(Cl)ccc1[N+](=O)[O-] 963279818 JKNPNOIUUQNVBR-KRWDZBQOSA-N 395.684 4.762 5 1 GJBF O=C(O)/C(=C/c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 13780355 HOOHPSYLYHSHRS-XSFVSMFZSA-N 375.380 4.799 5 1 GJBF Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)c12 14975367 SECLOTHQGDJSCB-UHFFFAOYSA-N 389.371 4.629 5 1 GJBF COc1ccccc1-c1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587933441 XPLHQDDEXKBNCP-UHFFFAOYSA-N 390.355 4.722 5 1 GJBF COc1ccc2c(c1)c1sc3cc(Cl)ccc3c(=O)c1n2CCN(C)C 1857561108 AYGWUGISZGTQOY-UHFFFAOYSA-N 386.904 4.593 5 1 GJBF CC(C)(C)C(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc([N+](=O)[O-])cc1 199709734 FTBBHWNXIMLORX-UHFFFAOYSA-N 391.427 4.632 5 3 GJBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587274936 XEKWYZXLJDPPAU-ZDUSSCGKSA-N 379.445 4.623 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Cl 587541974 GYPRMFZSXOVHIM-PXNSSMCTSA-N 397.770 4.657 5 1 GJBF OC[C@H](NCc1ccc2ccc3cccc4ccc1c2c34)[C@@H](O)c1ccccc1 26400217 NRAYOGRHPDEHKT-OZXSUGGESA-N 381.475 4.768 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2Cl)N1 587695404 NJWBGXZTSHAJOA-ZKANADHPSA-N 399.647 4.773 5 1 GJBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)nc2c1 66074165 OCPGNZBDIMPSIP-UHFFFAOYSA-N 395.382 4.558 5 1 GJBF Cc1cc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2cc1C 587268282 ZWJUCLSQRIUOQD-UHFFFAOYSA-N 375.432 4.617 5 1 GJBF CC(C)=CCc1c(O)cc2oc3c(O)cc(O)c(CC=C(C)C)c3c(=O)c2c1O 14727621 AVGUAOZYPIBDIZ-UHFFFAOYSA-N 396.439 4.786 5 1 GJBF biogenic,in-vitro O=[N+]([O-])c1cnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 587041473 ZSFNPBHOZUNKFF-UHFFFAOYSA-N 389.440 4.712 5 1 GJBF COc1ccccc1NC(=O)c1ccc(C)nc1Sc1ccc([N+](=O)[O-])cc1 87328089 GCVMJFQVPBURHT-UHFFFAOYSA-N 395.440 4.710 5 1 GJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587159793 YXIPADPBLSMIHR-UHFFFAOYSA-N 379.347 4.982 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 587541978 GYPRMFZSXOVHIM-YLJYHZDGSA-N 397.770 4.657 5 1 GJBF CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3cccc(I)c3)[C@@H]1C2 95561056 YWAJVPIHRWSFPL-WMZOPIPTSA-N 396.336 4.860 5 1 GJBF COc1ccc2c(ccn2CCCCCOC(=O)c2ccc([N+](C)(C)C)cc2)c1 27084436 TXZZABQYTUGDAL-UHFFFAOYSA-N 395.523 4.874 5 1 GJBF Cc1cc(N(C)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])cc1F 587136387 FDNXBMKAIKYKHK-UHFFFAOYSA-N 382.317 4.574 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3coc4cc(F)ccc34)[nH]c12 587174146 FGDCTDXHFCBLIE-UHFFFAOYSA-N 376.141 4.786 5 1 GJBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587269942 UJJUHGLDWNZCBA-UHFFFAOYSA-N 399.712 4.535 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@H]3Cc4ccccc4S3)[nH]c12 587043524 RAUFMVCORJTLFP-CYBMUJFWSA-N 376.235 4.623 5 1 GJBF O=c1cc(NCc2ccccc2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857602534 CXCACMUEQMVWON-UHFFFAOYSA-N 380.347 4.801 5 1 GJBF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586995893 KUICJPTUYODBIQ-UHFFFAOYSA-N 376.210 4.548 5 1 GJBF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587784431 HALROJWHFRUGPY-HZPDHXFCSA-N 394.434 4.603 5 1 GJBF COc1cccc2sc3ccc(NCc4ccc5c(c4)OCO5)cc3c(=O)c12 15933831 QJXVXKPKKNQFAT-UHFFFAOYSA-N 391.448 4.764 5 3 GJBF CC(C)(C)c1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(F)(F)F)c1O 45301388 ZBNPZVDRVSTKFY-UHFFFAOYSA-N 382.338 4.869 5 1 GJBF O=[N+]([O-])c1ccc(N2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1 103264634 FIKTZRUOWOLPDY-UHFFFAOYSA-N 384.439 4.623 5 1 GJBF COc1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2cc1OC 587271500 DGYMAGJYGGFMBL-UHFFFAOYSA-N 391.383 4.948 5 1 GJBF CCCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O 587512435 XSGPMNWYVOYILM-IBGZPJMESA-N 397.427 4.675 5 1 GJBF COc1ccc([C@H](O)[C@H](C)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587938668 YMVYAIKXVSPNOJ-WHEQGISXSA-N 384.439 4.505 5 1 GJBF COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)ccc1Br 586977664 OOCXWTILRUXFTN-GQCTYLIASA-N 388.221 4.721 5 1 GJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)cc1 587271416 BUDNUQOESVRQQN-UHFFFAOYSA-N 376.328 4.839 5 1 GJBF CCc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCC[C@@H]1[C@@H]3O 66259905 HQLMQXGIZHMQJJ-YKSBVNFPSA-N 377.484 4.584 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c3cccnc13)CC2=O 587468937 CCDYORJLIGYXLR-IBGZPJMESA-N 378.384 4.508 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc([N+](=O)[O-])c2)N1 587701586 NZLGYWXMGRPQKS-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF COc1ccc(CN(C(=O)OC2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)cc1 28825406 FJEQHMBUGJOIRZ-TYABSZSSSA-N 395.523 4.608 5 1 GJBF O=C1C[C@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)Oc2c1ccc1c2CCCC1 587513962 WAEWXNYPTIJJQG-JOCHJYFZSA-N 392.455 4.780 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1[N+](=O)[O-] 587547296 LODQSSKTOXLPCD-FXAWDEMLSA-N 397.770 4.657 5 1 GJBF C[C@]1(COc2ccc(-c3ccc(F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772625422 OKSGGYFLUQQQDC-LJQANCHMSA-N 385.420 4.541 5 1 GJBF Cc1onc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1COc1ccccc1Cl 587063593 QHKMRSZXNSMABP-UHFFFAOYSA-N 384.779 4.667 5 1 GJBF O=c1oc2ccc(Cl)cc2c2oc3ccc4c(c3c12)CN(CC1CC1)CO4 1772594367 XYWDWAUBCMESBZ-UHFFFAOYSA-N 381.815 4.908 5 1 GJBF CCOC(=O)c1c(-c2ccc(C)cc2)n2c3ccccc3c(=O)n2c2ccccc12 1911574152 WBQFSDMBRQSQIB-UHFFFAOYSA-N 396.446 4.858 5 1 GJBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cc1Cl 587085351 PPHLLOKABBPHFS-UHFFFAOYSA-N 386.198 4.902 5 1 GJBF C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339470 UFUHYHUDSYZZOH-IRLDBZIGSA-N 393.370 4.714 5 1 GJBF O=[N+]([O-])c1cc(O)cc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)c1 1772630574 FMSSJWHZHAWXKT-UHFFFAOYSA-N 398.227 4.950 5 1 GJBF O=C(c1ccco1)n1c2ccc(Br)cc2c2nc3ccccc3nc21 1860784 ILWLLMWKPUHVMJ-UHFFFAOYSA-N 392.212 4.782 5 1 GJBF CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3[N+](=O)[O-])noc2C)cc1 28129932 HOVHCAVTBXDSSR-UHFFFAOYSA-N 394.431 4.657 5 1 GJBF COc1ccc2c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)C2=O 49803097 YNIYQKMSQKDKEV-RBBKRZOGSA-N 375.380 4.704 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c(Cl)c2)N1 587696689 QSEZPWQPASXNJM-ZKANADHPSA-N 399.647 4.773 5 1 GJBF O=C(O)CCCCCC[C@@H]1CCC[C@@H]1NCCCc1ccc([N+](=O)[O-])cc1 27999754 WKSMDQKHMKWDGQ-QUCCMNQESA-N 376.497 4.711 5 1 GJBF O=Cc1ccc(OCc2occc2-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 586901158 QDHVNUDCERZNKG-UHFFFAOYSA-N 397.774 4.776 5 1 GJBF COCCNc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587262519 VTQUMZNEPVAKHG-UHFFFAOYSA-N 381.219 4.503 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cccc([N+](=O)[O-])c3)cc1)O2 587388958 IAANRRAFKYZMKP-NRFANRHFSA-N 390.395 4.984 5 1 GJBF Cc1ccccc1-c1ccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587959264 MDADVNSFLTXHBE-UHFFFAOYSA-N 388.383 4.946 5 1 GJBF COc1cc2c(=O)n(C3CCCCC3)c3c4ccnc-4[nH]cc3c2cc1OC 1857774913 WNRXTALSWGUQLZ-UHFFFAOYSA-N 377.444 4.505 5 1 GJBF C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccsc1)c1ccsc1)C2 28825417 LMDNOMYZUIYOBM-JWTNVVGKSA-N 377.555 4.723 5 1 GJBF CCN(CC)C(=O)NCCCNc1nc2ccccc2c2[nH]c3ccccc3c12 169348193 RJDHKMFOHKPUGX-UHFFFAOYSA-N 389.503 4.723 5 1 GJBF O=[N+]([O-])c1ccc(OCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1F 587148606 COBCITWVOYUZOE-UHFFFAOYSA-N 389.692 4.861 5 1 GJBF COc1ccc2cc([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2c1 1857774354 GZKDLJLTNJCZQV-CYBMUJFWSA-N 375.384 4.958 5 1 GJBF Cc1c(-c2nc3cnc4ccccc4c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980056 OFAFKNSVHDNOER-UHFFFAOYSA-N 383.205 4.757 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])cc3cccnc13)CC2=O 587470190 JCJOVJLOFQNYEQ-LJQANCHMSA-N 378.384 4.508 5 1 GJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(OC(F)(F)F)cc1[N+](=O)[O-] 587646648 ZDHMNFQWHXCGKT-UHFFFAOYSA-N 381.266 4.858 5 1 GJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@]1(C)CCCN1C3 14514405 MEDVIHNIGHWCNB-DEOSSOPVSA-N 377.484 4.929 5 1 GJBF biogenic CN(c1ccccc1Cl)c1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 73404103 LHJWKHNEQQVHNI-UHFFFAOYSA-N 386.846 4.989 5 1 GJBF C1=CCC[C@]23C[N@+]45CCCCC=CCC[C@]67O[C@H]([C@@H]([C@@H]2CC4)[C@H]65)N(CCCC1)[C@H]37 255221344 JMHLAJDWOVXASI-FBZVPOGFSA-N 395.611 4.641 5 1 GJBF Nc1ccc(-c2ccc3nc(-c4cc(Cl)cc([N+](=O)[O-])c4F)[nH]c3c2)cc1N 587139303 GVFNDVLXMCLZPV-UHFFFAOYSA-N 397.797 4.762 5 1 GJBF CCCOc1cccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587569269 PTRBESSOSNHTRN-UHFFFAOYSA-N 390.237 4.613 5 1 GJBF COc1ccc2c(c1)N=C1CS[C@H](c3c(Cl)cccc3[N+](=O)[O-])N1C2 1865078 NETABVDJINAVFY-QGZVFWFLSA-N 375.837 4.548 5 1 GJBF Cc1ccc(-n2ccnc2SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C)c1 586966885 UWQZUJLOEIJTHN-UHFFFAOYSA-N 379.445 4.566 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587083898 BOOHBSHUIQYPJE-UHFFFAOYSA-N 388.008 4.602 5 1 GJBF COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587505565 PIAHMUPRRBSVJH-OAQYLSRUSA-N 385.391 4.502 5 1 GJBF Cc1ccccc1-c1cc(Nc2ccc([N+](=O)[O-])c3nonc23)ccc1C(=O)O 1857600917 NLQGXKQCXWULSI-UHFFFAOYSA-N 390.355 4.548 5 1 GJBF Nn1c(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c1=O 28708388 SIELENLMIITDQV-UHFFFAOYSA-N 398.853 4.646 5 1 GJBF O=C(Nc1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1O 169339443 KMNDHTZXSVIVCW-UHFFFAOYSA-N 389.839 4.587 5 1 GJBF CC[C@@H](C)NC(=O)c1cc2ccccc2c(-c2cc([N+](=O)[O-])ccc2Cl)n1 28333709 JOEJSBQZAAFMQL-GFCCVEGCSA-N 383.835 4.992 5 1 GJBF COc1cccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc(N(C)C)ccc23)c1 45506049 DNCPXVSHQLPHLZ-UHFFFAOYSA-N 389.544 4.780 5 1 GJBF C1=C[C@@H]2C[C@@H]3CC=CCC3=C(c3nnc4nnc5c6ccccc6[nH]c5n34)[C@@H]2C=C1 169300868 YCOPCMNKNJLSFU-OWCLPIDISA-N 392.466 4.636 5 1 GJBF Cc1c(Br)cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1C 587151723 TYKISUWCLHVXKO-UHFFFAOYSA-N 394.200 4.569 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587153177 WREKPTVONTWVCR-UWVGGRQHSA-N 394.175 4.783 5 1 GJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cnc(Br)cc3[nH]2)o1 587265693 SDLWFWBBOSSFJC-UHFFFAOYSA-N 385.177 4.556 5 1 GJBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2ccc([N+](=O)[O-])cc21 587472281 ZXMCHNQTBHPOFH-QFIPXVFZSA-N 397.427 4.675 5 1 GJBF Cc1cc([N+](=O)[O-])ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587748817 WPVNQOQCOOTOHE-ZMZPIMSZSA-N 393.256 4.603 5 1 GJBF O=C(NCCSCc1cccc([N+](=O)[O-])c1)c1c(Cl)cccc1Cl 49803642 RYGPNNDWWSVWKW-UHFFFAOYSA-N 385.272 4.565 5 1 GJBF O=[N+]([O-])c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587121788 GSPFAQRVECNDGH-UHFFFAOYSA-N 383.351 4.803 5 1 GJBF COc1ccc([C@@H](O)[C@H](C)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587938669 YMVYAIKXVSPNOJ-XMHCIUCPSA-N 384.439 4.505 5 1 GJBF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(Cl)cc1[N+](=O)[O-] 587657554 XMKCODMQCNZGPK-UHFFFAOYSA-N 395.777 4.753 5 1 GJBF O=[N+]([O-])c1ccc(COc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 653861810 PHJOXAGLWOIBST-UHFFFAOYSA-N 398.633 4.944 5 1 GJBF CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cc2c3c(cccc3n1)CC2 587210485 CRHPWHWZMTWLGD-XDHOZWIPSA-N 388.423 4.734 5 1 GJBF Cc1c(Cl)ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587265447 FBZHDANNELWEFG-VIFPVBQESA-N 375.772 4.514 5 1 GJBF CCN(CC)CCCNc1[nH]cc(C)c2nc3ccc4cc(O)ccc4c3c1-2 101199759 KIQZWPRHMJTDCT-UHFFFAOYSA-N 376.504 4.979 5 1 GJBF Cc1nn(Cc2ccccc2-c2nc3cc(Cl)c(F)cc3[nH]2)c(C)c1[N+](=O)[O-] 587268235 YCKOOAVABUDLKJ-UHFFFAOYSA-N 399.813 4.792 5 1 GJBF COc1ccc(-c2noc(C)c2C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279482 JKZYFXNCLGBYCM-UHFFFAOYSA-N 378.340 4.544 5 1 GJBF COc1ccc2c(c1)CN1C(=N2)CS[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 1865073 XLTKGSJZLBPBBR-QGZVFWFLSA-N 375.837 4.548 5 1 GJBF CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C=CC(C)(C)O2 29226132 QSSUCWQFSMDTOE-UHFFFAOYSA-N 392.499 4.884 5 1 GJBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 586880282 WWQYHOLCTVFNBO-UHFFFAOYSA-N 391.358 4.951 5 1 GJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cccc(OCc3ccccc3)c2[nH]1 587158321 CCGUUZOXQFGACZ-UHFFFAOYSA-N 393.374 4.768 5 1 GJBF COc1ccc2c(c1)C[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)CC2 587946110 JSMGQRVDLQNILQ-OAHLLOKOSA-N 380.451 4.940 5 1 GJBF CC(C)[C@@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 776238 LIDLAPKIGZTAAS-LLVKDONJSA-N 393.871 4.975 5 1 GJBF CC(C)=CCc1c2c(c3c(c1O)c(=O)c1cccc(O)c1n3C)C=CC(C)(C)O2 14697187 JLDLLLFQYFAMHX-UHFFFAOYSA-N 391.467 4.796 5 1 GJBF biogenic C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c([N+](=O)[O-])cncc4[nH]3)c21 587032236 GONXBTGMQDYRDM-NSHDSACASA-N 379.445 4.825 5 1 GJBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(C(=O)c2ccccc2)c1C 82157888 MVNIYTMIQYQCPO-UHFFFAOYSA-N 392.411 4.545 5 1 GJBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc([N+](=O)[O-])c4)s1)[C@@H](C2)C3=O 587449777 HDSASAAVDUZDQS-BTYIYWSLSA-N 393.420 4.821 5 1 GJBF CC[C@H]1CC=C[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(Cc3ccccc3)C(=O)[C@H]12 13830258 OEBGFETZQKYEAP-GUGJDKNPSA-N 376.456 4.897 5 1 GJBF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587200898 BHZKXPLAITXGLA-UHFFFAOYSA-N 396.875 4.705 5 1 GJBF Nc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c2ccccc2c1 587251554 IUFZMSYPYLLYDZ-UHFFFAOYSA-N 383.205 4.636 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)O2 587388461 BYJLRMZXCRYHDV-FQEVSTJZSA-N 378.384 4.760 5 1 GJBF CCOC(=O)c1c(-c2cc(F)c(F)c(Cl)c2F)[nH]c2cccc([N+](=O)[O-])c12 587646580 VWOBBAMMQHEGCM-UHFFFAOYSA-N 398.724 4.991 5 1 GJBF COc1c(O)ccc2c1ccc1c(Cc3ccc(O)cc3)c(O)cc(OC)c12 28361177 FTRCSQQUXKTUOD-UHFFFAOYSA-N 376.408 4.718 5 1 GJBF biogenic,in-vitro O=C1c2ccccc2-c2cc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3cccc1c23 587105195 SFROGONUEJWLIC-UHFFFAOYSA-N 397.346 4.930 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587153175 WREKPTVONTWVCR-NXEZZACHSA-N 394.175 4.783 5 1 GJBF O=[N+]([O-])c1cc(Br)ccc1C[C@H](O)c1ccc(-c2ccncc2)cc1 1857755659 HJSYXEXCWPMCRT-IBGZPJMESA-N 399.244 4.695 5 1 GJBF COc1ccc2c(c1)O[C@H](c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)C2=O 49803024 PEDGTJVKEYCMHP-RBBKRZOGSA-N 375.380 4.704 5 1 GJBF Cc1ccc(O[C@@H]2CCC[C@@H]2Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 73220853 FZHHRPHZFFMLDK-LSDHHAIUSA-N 383.231 4.984 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c12 587042802 MMTLDAMKGKNIPQ-LBPRGKRZSA-N 376.235 4.623 5 1 GJBF O=C1C[C@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587512595 ZHWMCDIWBUYDSG-JOCHJYFZSA-N 392.455 4.780 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2[N+](=O)[O-])N1 587696302 SWFBDDSXWSQGAY-ZKANADHPSA-N 399.647 4.773 5 1 GJBF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587168993 PPWNXJXZBXFROB-MRVPVSSYSA-N 380.173 4.513 5 1 GJBF COc1cc2oc3cc(CN(C)Cc4ccccc4)ccc3c(=O)c2cc1OC 28710701 YUCQAPNOOUWMMP-UHFFFAOYSA-N 389.451 4.595 5 1 GJBF CCOc1ccc(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)cc1[N+](=O)[O-] 68583998 JKCHZOVHLZRKHL-UHFFFAOYSA-N 386.389 4.769 5 1 GJBF biogenic O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c12 587112264 RTWDUDJTWYXRPP-UHFFFAOYSA-N 386.127 4.919 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O 587458385 AXGBIPKZKLZZDX-IBGZPJMESA-N 375.808 4.787 5 1 GJBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1cccc(Cl)c1)c1cccs1 13646331 JDOHJHUSZUBART-QGZVFWFLSA-N 377.853 4.621 5 1 GJBF Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ncccc1OCc1ccccc1 13680247 UVITWSMEXKYNEK-UHFFFAOYSA-N 378.388 4.521 5 1 GJBF Cc1onc(-c2c3ccccc3cc3ccccc23)c1C(=O)NCCCN(C)C 40872352 IQNSMDKPKCMUNQ-UHFFFAOYSA-N 387.483 4.638 5 1 GJBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 587268187 NKQOOQIDGPRMJO-UHFFFAOYSA-N 393.472 4.991 5 1 GJBF Cc1oc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1[N+](=O)[O-] 587269252 UPYCZZDVLRDBJD-UHFFFAOYSA-N 390.115 4.821 5 1 GJBF C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 1857630648 IIKAANYXSRDYLO-UHFFFAOYSA-N 399.321 4.581 5 1 GJBF O=C(c1c(F)cc(Br)cc1F)c1coc2cc([N+](=O)[O-])ccc12 587280166 MGGMTJZJSOGKQT-UHFFFAOYSA-N 382.116 4.613 5 1 GJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587262395 RFXLTHLGFMXQBT-UHFFFAOYSA-N 383.301 4.559 5 1 GJBF CC[N+](C)(CC)CCn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1ccccc1 377815836 VJARIUGXGQNXSL-UHFFFAOYSA-N 399.562 4.961 5 1 GJBF CC(C)c1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)([O-])[C@@H]1N2C 14948521 QHRLNUUKYIOMLK-OYICLKKBSA-N 395.503 4.803 5 1 GJBF CCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746774 LEFYRSUMTGJJBD-XTZNXHDOSA-N 393.256 4.682 5 1 GJBF COc1c(O)cc2ccc3c(Cc4ccc(O)cc4)c(O)ccc3c2c1OC 1772651998 IGTVSCBNMFRKPM-UHFFFAOYSA-N 376.408 4.718 5 1 GJBF O=S(=O)(Nc1ccc2nc(O)c3ccccc3c2c1)c1ccccc1Cl 1857556947 YAMAUPSMEWXDON-UHFFFAOYSA-N 384.844 4.548 5 1 GJBF O=C1c2ccccc2-c2cc(COc3ccccc3[N+](=O)[O-])nc3cccc1c23 587105080 NQUXVFXZQYCSPU-UHFFFAOYSA-N 382.375 4.933 5 1 GJBF COc1cc2c[n+](C)c3c4cc(OC)c(OC(C)C)cc4ccc3c2cc1OC 1629538 FMWBRWXIGDBCDH-UHFFFAOYSA-N 392.475 4.784 5 1 GJBF Cc1ncc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C)c1Br 586978740 FCWMCVCWHZFVEP-UHFFFAOYSA-N 381.617 4.566 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])s1)O2 587409729 JHLMYCTUADTQOC-KRWDZBQOSA-N 380.425 4.920 5 1 GJBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(C2CCCCC2)c1O 587937499 SUMDDOWJRKKFOL-UHFFFAOYSA-N 381.226 4.607 5 1 GJBF O=[N+]([O-])c1c(O)c(F)c(OCc2ccc(-c3ccccc3)cc2)c(F)c1F 27716934 PQALVGXQFYKREZ-UHFFFAOYSA-N 375.302 4.964 5 1 GJBF CCCNCCCCNCCCNCc1c2ccccc2cc2ccccc12 40863678 BAEPZNQTKQMQPK-UHFFFAOYSA-N 377.576 4.842 5 1 GJBF C[C@@H]1Oc2cc(O)c3c(=O)c4c5c(c(O)cc4oc3c2C1(C)C)OC(C)(C)C=C5 1772624514 VNIIWYXDSWVLIC-JTQLQIEISA-N 394.423 4.600 5 1 GJBF O=[N+]([O-])c1cccc2c1NC[C@@H]1C2=NN(c2ccccc2)[C@H]1c1ccc(F)cc1 1772599931 YOFVLHMYWGMMCQ-GCJKJVERSA-N 388.402 4.741 5 1 GJBF O=[N+]([O-])c1cnc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 587159892 XJCZIZRVIBMYND-QGZVFWFLSA-N 398.781 4.827 5 1 GJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)cc1 587271415 BSGJBXPTKUFYFR-UHFFFAOYSA-N 387.355 4.512 5 1 GJBF O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3c(=Nc3cccc(O)c3)[nH]2)c1 1857539891 WKCFYOHIHUZMEB-VAWYXSNFSA-N 384.395 4.580 5 1 GJBF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12 587271763 IAXGKTKBDGLTTM-UHFFFAOYSA-N 393.330 4.768 5 1 GJBF Cc1c([N+](=O)[O-])cccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587748358 WMKPZZLFBCRUHX-MGNBDDOMSA-N 393.256 4.603 5 1 GJBF COc1ccc(C)cc1C(=O)CCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587787214 LMXCUCGEUQWASI-UHFFFAOYSA-N 396.450 4.792 5 1 GJBF O=c1c2sccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccc(Cl)cc1 1857539420 GIVOJBJSGLIWFK-FNORWQNLSA-N 399.815 4.772 5 1 GJBF Cn1c2c3cccc(F)c3nc-2c(I)c2ccccc21 147803700 IFONVXHKTAWQCC-UHFFFAOYSA-N 376.172 4.575 5 1 GJBF O=C(O)c1ccc2c(c1)nc(NCCc1cccc(Cl)c1)c1ccncc12 199791832 CKWLPIWZGQPVEB-UHFFFAOYSA-N 377.831 4.789 5 1 GJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587269841 RJTHGOSBURDXDI-UHFFFAOYSA-N 392.337 4.637 5 1 GJBF O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(Cc3ccccc3)nc2c1 28712389 QTJYXAUUQDLGSF-UHFFFAOYSA-N 387.395 4.508 5 1 GJBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc([N+](=O)[O-])c1C3 586986315 AHTZCZHACBWASV-UHFFFAOYSA-N 380.359 4.631 5 1 GJBF Nc1c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)sc2cc(Br)ccc12 587030167 AFSJEEHNSBSHTI-UHFFFAOYSA-N 389.234 4.698 5 1 GJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(C)cc1[N+](=O)[O-] 587860159 NIXCFQVZVMZMLV-UHFFFAOYSA-N 393.230 4.856 5 1 GJBF O=[N+]([O-])c1cccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587121910 HKBMZHROMYCQDZ-UHFFFAOYSA-N 383.351 4.803 5 1 GJBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)c2ccc([N+](=O)[O-])cc21 587469403 DQJBZTIVSGZRSK-JOCHJYFZSA-N 381.428 4.795 5 1 GJBF CC(C)(C)OC(=O)NCCc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587647085 PEAOBDXVNKCXNX-UHFFFAOYSA-N 381.432 4.810 5 1 GJBF CO[C@H](C)COC1CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 587952300 OJCCCLVIBOYSOT-QQFBHYJXSA-N 390.487 4.737 5 1 GJBF Cc1c(Cl)c(O)c(Cl)c2oc3c(Cl)c(O)c(Cl)c(O)c3c(=O)c12 5493221 MYBIAUJNAXMGTF-UHFFFAOYSA-N 396.009 4.985 5 1 GJBF biogenic CC(C)N(CCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21)C(C)C 45340307 SPXYPCZEVFXCRG-UHFFFAOYSA-N 396.491 4.642 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Cl 586979429 MFJHVBYHSPZCFU-UHFFFAOYSA-N 388.008 4.602 5 1 GJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccncc1[N+](=O)[O-] 587859176 CEVPCLRABQQUQO-UHFFFAOYSA-N 379.203 4.548 5 1 GJBF COc1cc(Cl)ccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587066041 FMNMYTOPQNLDPC-UHFFFAOYSA-N 382.601 4.563 5 1 GJBF Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c([N+](=O)[O-])n1 66148055 CLAHWMCGEBXKHS-UHFFFAOYSA-N 377.611 4.716 5 3 GJBF Fc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)nc1Br 587155545 NXDMHEYLHZATQA-UHFFFAOYSA-N 394.207 4.623 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(Cl)c2)N1 587691661 CNNPOJBPCZRBRA-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF Cc1sc2c(c1C)CCN[C@]2(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 963016332 YGZXVAGYXBVOJC-OAQYLSRUSA-N 382.460 4.850 5 1 GJBF COc1ccc(C=O)c2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)oc12 586903338 IVSWPTMRCNOVHY-UHFFFAOYSA-N 394.390 4.894 5 1 GJBF O=[N+]([O-])c1cn(C[C@@H](OCc2ccc(Cl)cc2)c2ccc(F)cc2F)cn1 66078772 XEWKTJSPQLSUMP-QGZVFWFLSA-N 393.777 4.681 5 1 GJBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(CO)cc3[nH]2)cc([N+](=O)[O-])c1 587135502 DUTJPADVKVCVLZ-UHFFFAOYSA-N 377.375 4.745 5 1 GJBF CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2cc([N+](=O)[O-])ccc12 587643451 FMOSACXYBFYBFC-UHFFFAOYSA-N 389.205 4.682 5 1 GJBF Cc1c/c(=N\C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc2[nH]1 66122727 MPIXFKUKAYSXFQ-UHFFFAOYSA-N 390.321 4.536 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)cc1[N+](=O)[O-])CC2=O 587460378 FTTCVQDRVBTFSN-IBGZPJMESA-N 375.808 4.787 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2=O 587468196 BWZAMNIRCHJGRC-PEBXRYMYSA-N 383.444 4.856 5 1 GJBF CCC(C)(C)c1ccc(OCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587565397 GKJRNXOBKCKKMQ-UHFFFAOYSA-N 384.392 4.646 5 1 GJBF CN(C)CCCNC(=O)c1cccc2c1nc(-c1ccccc1)c1ccccc12 27873967 JBMMHIJVUJREQY-UHFFFAOYSA-N 383.495 4.737 5 1 GJBF Cc1csc(SCc2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)n1 587021947 RKXLOMDIIZVYAF-UHFFFAOYSA-N 383.458 4.590 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3csc4ccc(O)cc34)[nH]c12 587033705 ZVNOGHMDIFAATD-UHFFFAOYSA-N 390.218 4.821 5 1 GJBF Cc1cc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587721494 WDRRVHNUSJXSIR-XYZCENFISA-N 397.219 4.568 5 1 GJBF COc1cccc([C@@H](C)Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587930487 IRLHAJBNQDYSOB-JTQLQIEISA-N 390.237 4.588 5 1 GJBF CN1CCN(C(=O)c2cccc3c(Oc4ccccc4)c4ccccc4nc23)CC1 84804823 LXVPMKZOJJYDBP-UHFFFAOYSA-N 397.478 4.568 5 1 GJBF CN(C)CCCNC(=O)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccccc12 1857535440 HUZULLGKOWJUQY-UHFFFAOYSA-N 384.483 4.637 5 1 GJBF CCCCCC(CO)(CO)NCc1ccc2ccc3cccc4ccc1c2c34 26485603 VIKOKPIRKFVFJR-UHFFFAOYSA-N 375.512 4.977 5 1 GJBF O=C(O)c1ccccc1C(=O)c1ccc(Nc2cccc(Cl)c2)c([N+](=O)[O-])c1 1911581726 YBAPFFSSUYBMCR-UHFFFAOYSA-N 396.786 4.921 5 1 GJBF Cc1nc(C2CC2)sc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587012824 VFJUEZZSRWCTKG-UHFFFAOYSA-N 379.239 4.543 5 1 GJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCC[N+]1([O-])C3 13370327 MUSNTDDWXDJEFG-GMBBYQRISA-N 379.456 4.552 5 1 GJBF biogenic,in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc([N+](=O)[O-])c2Cl)N1 587691331 ATGOIAFSLKXOIQ-VPTHRUTESA-N 399.647 4.773 5 1 GJBF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587784432 HALROJWHFRUGPY-JKSUJKDBSA-N 394.434 4.603 5 1 GJBF C[C@@]1(Cc2c([N+](=O)[O-])ccc(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501136 AKNYJXYLHUTTIS-OAQYLSRUSA-N 387.382 4.718 5 1 GJBF O=[N+]([O-])c1ccc2c(CN3CCOCC3)c(-c3ccc4ccccc4c3)[nH]c2c1 587649096 PSEMZBWEYGQDMU-UHFFFAOYSA-N 387.439 4.729 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2Cl)N1 587695399 NJWBGXZTSHAJOA-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF O=[N+]([O-])c1cccc2[nH]cc([C@@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)c12 962721650 WBMIZZBZPDMPLX-ASSNKEHSSA-N 397.475 4.668 5 1 GJBF CN(C)C(=S)Oc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1 1857614079 MIWCCCFVVYMRFT-UHFFFAOYSA-N 375.449 4.839 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882921 CYQOMASKGFKOOW-RVOMIOKESA-N 376.254 4.701 5 1 GJBF CC(C)(Oc1ccc(Br)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586995953 MHXYSMFPCTZTPM-UHFFFAOYSA-N 394.200 4.687 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c3ccccc3cc3cccc1c23 587406006 CGOOJQOMLCTRMP-VWLOTQADSA-N 379.415 4.941 5 1 GJBF O=C1NC(=O)c2c1c1c3ccc(Cl)cc3[nH]c1c1c2c2cccc3c2n1CCC3 14945580 DPYREHVOBHTMGC-UHFFFAOYSA-N 399.837 4.912 5 1 GJBF CCCCCSc1nc(C)c(C(=O)OCC)c(-c2cccc([N+](=O)[O-])c2)n1 29326223 PUSHWNIBGWRQCT-UHFFFAOYSA-N 389.477 4.819 5 1 GJBF Cc1cnc(-c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174153 TWBHVUBIEUQWLK-UHFFFAOYSA-N 379.420 4.760 5 1 GJBF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746414 JVGLKGMTVIIQEM-VOJFVSQTSA-N 393.256 4.603 5 1 GJBF O=[N+]([O-])c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586960800 PLTIBNKYUPXGFJ-MUUNZHRXSA-N 391.452 4.509 5 1 GJBF COC(=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587271538 FDPDXVBWFFKZBW-UHFFFAOYSA-N 389.367 4.717 5 1 GJBF CCOc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc(OCC)c1OCC 587279308 FXGFMRSUPDAJLB-UHFFFAOYSA-N 399.399 4.768 5 1 GJBF O=[N+]([O-])c1cnc(NCc2ccccc2Cl)nc1NCC1CCCCC1 28898808 VNTICGQHBTXWMX-UHFFFAOYSA-N 375.860 4.643 5 1 GJBF CCOC(=O)C1=C(C)NC(c2ccc(Cl)cc2)=C[C@@H]1c1ccccc1[N+](=O)[O-] 169348111 GGALZRHFGYBGFJ-QGZVFWFLSA-N 398.846 4.813 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1[N+](=O)[O-] 587547350 LVHPYFJHFZUFBA-XLIONFOSSA-N 397.770 4.657 5 1 GJBF CN1CCCN(Cc2c3c4ccccc4nc-3n(C)c3ccc(Cl)cc23)CC1 102996570 CVWXHZZWRHRFIT-UHFFFAOYSA-N 392.934 4.622 5 1 GJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587159786 YOZWIKCCPYOFSJ-UHFFFAOYSA-N 393.374 4.768 5 1 GJBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587268641 HTBVMPXYRPOOKM-UHFFFAOYSA-N 377.429 4.629 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1ccc3cccnc3c1[N+](=O)[O-])CC2=O 587471309 PRSZPKOXOMQOGH-SFHVURJKSA-N 378.384 4.508 5 1 GJBF CCC[C@@H](C)COC(=O)c1cc(C(=O)OC[C@H](C)CCC)cc([N+](=O)[O-])c1 40876729 AAFNISXYCGJZPH-HUUCEWRRSA-N 379.453 4.781 5 1 GJBF COc1cccc(-c2nc3ccc([N+](=O)[O-])cc3nc2-c2cccc(OC)c2)c1 71295476 LWBFXTOCHYGBNB-UHFFFAOYSA-N 387.395 4.889 5 1 GJBF Nc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c2ccccc2c1 587252474 WTVGJTLBZBJNQJ-UHFFFAOYSA-N 383.205 4.636 5 1 GJBF COc1ccc(-c2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)cc1OC 587929108 QOWQCHNUSOEIGR-UHFFFAOYSA-N 375.384 4.822 5 1 GJBF Cc1sc2c(c1C)CCN[C@@]2(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 963016328 YGZXVAGYXBVOJC-NRFANRHFSA-N 382.460 4.850 5 1 GJBF O=[N+]([O-])c1cccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587148563 CHTLORDONOHUTJ-LJQANCHMSA-N 381.338 4.918 5 1 GJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)cc1 587271888 KPWHAWDLBSBULI-UHFFFAOYSA-N 376.328 4.839 5 1 GJBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)c2ccc([N+](=O)[O-])cc21 587469405 DQJBZTIVSGZRSK-QFIPXVFZSA-N 381.428 4.795 5 1 GJBF O=[N+]([O-])c1cnc(NC2CCCCCC2)nc1Nc1ccc2ncsc2c1 64553085 HKTSWBVSVIDTCP-UHFFFAOYSA-N 384.465 4.873 5 1 GJBF CCCCN1Cc2c(c3ccc(OC)cc3c3cc(OC)c(OC)cc23)[C@H](O)C1 95574556 UNIRICALLXCIJL-OAQYLSRUSA-N 395.499 4.668 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1Cl 586895066 NGZLWLJRRIWFCD-UHFFFAOYSA-N 379.803 4.951 5 1 GJBF CCOc1cc(CC[N+](C)(C)C)c2c(ccc3ccc(OC)c(OC)c32)c1OC 1611790 SCJHPSUQLNIRMF-UHFFFAOYSA-N 398.523 4.666 5 1 GJBF CC1(C)C=Cc2c(cc3oc4c5c(c(O)cc4c(=O)c3c2O)OC(C)(C)C=C5)O1 14686337 KDOCRANJCODQMR-UHFFFAOYSA-N 392.407 4.726 5 1 GJBF biogenic,in-vitro CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(C)cc1[N+](=O)[O-] 587866357 YYNYLWAWJPKVST-UHFFFAOYSA-N 392.337 4.568 5 1 GJBF CCN1C(=O)C[C@@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@@H]1c1ccccc1Cl 587061508 MTVBIQLLQFYUCV-YJYMSZOUSA-N 398.850 4.510 5 1 GJBF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587076233 RLRQVLBIWCCWRB-UHFFFAOYSA-N 388.214 4.939 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2[N+](=O)[O-])N1 587698500 QKLNPZQDGQZGOY-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF CC(C)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 776339 PUSNZRZBDUWZES-UHFFFAOYSA-N 379.844 4.587 5 1 GJBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513715 UITIARGATNVIGG-FQEVSTJZSA-N 376.412 4.970 5 1 GJBF CCOc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587645446 VPJLEWXNQCPNDE-UHFFFAOYSA-N 378.306 4.725 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587950929 HCMHFUSGMUTUCS-UHFFFAOYSA-N 388.221 4.832 5 1 GJBF O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 13704324 NTGZFLVYBRAVEA-UHFFFAOYSA-N 384.395 4.700 5 1 GJBF in-vivo Cc1nc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Br 587048478 WFQZPLFYSBBDSX-HYXAFXHYSA-N 393.628 4.761 5 1 GJBF COc1ccc(CN(C(=O)OC2C[C@@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)cc1 101152107 FJEQHMBUGJOIRZ-SFTDATJTSA-N 395.523 4.608 5 1 GJBF Cc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)s1 101152348 NAXYIWZRBXAQKX-PMOLBWCYSA-N 385.553 4.970 5 1 GJBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C)cc4[N+](=O)[O-])o1)[C@@H](C2)C3=O 587431948 IJSBWMWRDRJCNL-NYHFZMIOSA-N 391.379 4.661 5 1 GJBF O=C(c1ccccc1)c1c(C(F)(F)Br)[nH]c2cccc([N+](=O)[O-])c12 587644859 DUENQYCIHGWORQ-UHFFFAOYSA-N 395.159 4.751 5 1 GJBF O=[N+]([O-])c1cn(C[C@H](OCc2ccc(Cl)cc2)c2ccc(F)cc2F)cn1 66078770 XEWKTJSPQLSUMP-KRWDZBQOSA-N 393.777 4.681 5 1 GJBF CC[N@+]1(C)CC[C@@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1 263603004 NAGNEDWJLLWFMD-ZILOHOTNSA-N 393.334 4.550 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1Cl 587138133 XCJQYGDOERFDHI-UHFFFAOYSA-N 388.555 4.832 5 1 GJBF FC(F)c1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cnc2ncnn12 587128959 VLOAYLOJAREJRX-UHFFFAOYSA-N 386.365 4.912 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccccc2[N+](=O)[O-])N1 587743374 APBNRXCNLAZBNH-MANSABKXSA-N 391.240 4.785 5 1 GJBF Cc1nc(SCc2nc3c([N+](=O)[O-])cccc3[nH]2)c2oc3ccccc3c2n1 36380925 FHZIEBDKFDMIAE-UHFFFAOYSA-N 391.412 4.761 5 3 GJBF CC(C)=CCc1c2c(c3oc4c(O)cccc4c(=O)c3c1O)C(C)(C)[C@@H](C)O2 13382738 MSWPZQDOORASGL-GFCCVEGCSA-N 380.440 4.925 5 1 GJBF biogenic,in-vitro OC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCC(C(F)(F)F)CC1 587126674 MBHVQAYTLFGAIT-UHFFFAOYSA-N 386.377 4.599 5 1 GJBF COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)CC1=CCCN1C3 14824728 SHYRZFFAMWYGTN-UHFFFAOYSA-N 391.467 4.673 5 1 GJBF biogenic Cc1nn(Cc2ccccc2-c2nc3ccc4ncccc4c3[nH]2)c(C)c1[N+](=O)[O-] 587267046 DQLWATJAUMUZNG-UHFFFAOYSA-N 398.426 4.548 5 1 GJBF Cc1cc(C)c2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2c1 587267838 SEJHCFFEFQFUAX-UHFFFAOYSA-N 375.432 4.617 5 1 GJBF O=C1C[C@H](c2cccn2-c2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587513456 SXOJINLQHIGSAE-JOCHJYFZSA-N 388.423 4.971 5 1 GJBF Cc1cc2nc(-c3noc(C)c3COc3ccccc3Cl)[nH]c2cc1[N+](=O)[O-] 587063158 FYRSILCUSAUXAU-UHFFFAOYSA-N 398.806 4.975 5 1 GJBF C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1)C2 1911577457 PRPBOUUIRMITJF-WDHIMTGQSA-O 389.878 4.933 5 1 GJBF O=[N+]([O-])c1cccc2c(Sc3ccc(Br)cc3)cc(O)nc12 299868504 ROQJUFKHEAOWKT-UHFFFAOYSA-N 377.219 4.762 5 1 GJBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc([N+](=O)[O-])cc4)cc1)[C@@H](C2)C3=O 587434637 XKJHHQXPBAOWDO-CVDCTZTESA-N 387.391 4.759 5 1 GJBF CCN(CC)CCn1nc2c3cc(OC)ccc3sc3c([N+](=O)[O-])ccc1c32 29326209 IVWPGPMPNFUMHE-UHFFFAOYSA-N 398.488 4.663 5 1 GJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586968650 GYSKKFMAZHFJRG-UHFFFAOYSA-N 398.488 4.588 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587081085 RHLJNUJCFCSLPN-LBPRGKRZSA-N 394.612 4.563 5 1 GJBF COc1c(C)c([C@@H]2CC(=CC(C)=Cc3ccc([N+](=O)[O-])cc3)CO2)oc(=O)c1C 2356815235 LKHKXHOLATYTGS-IBGZPJMESA-N 397.427 4.665 5 1 GJBF CC1(C)CCC(C)(C)c2cc([N+](=O)[O-])c(NC(=O)c3ccc(C(=O)O)cc3)cc21 26282120 YZIIJXWPMWBEGS-UHFFFAOYSA-N 396.443 4.894 5 1 GJBF CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(I)cc3)[C@@H]1C2 95558592 ZMWVXLZQPUFEFZ-WMZOPIPTSA-N 396.336 4.860 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2[N+](=O)[O-])N1 587698507 QKLNPZQDGQZGOY-ZKANADHPSA-N 399.647 4.773 5 1 GJBF COc1cc(C[C@H](O)c2ccc(-c3cccs3)cc2)c([N+](=O)[O-])cc1OC 653717467 MFYBVZPMJWKTFF-KRWDZBQOSA-N 385.441 4.617 5 1 GJBF CC1(C)C[C@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc2O1 45350816 AXJORAYOMXRLIH-HNNXBMFYSA-N 391.880 4.837 5 1 GJBF CCc1cnc(-c2cnc(N[C@H](C)CC)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174700 UJASQLAXQNHNCV-GFCCVEGCSA-N 383.477 4.948 5 1 GJBF C[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccccc1C(F)(F)F 587098691 SFABWIRIRIKPCY-MRVPVSSYSA-N 380.282 4.550 5 1 GJBF COC(=O)c1cc(Cl)c2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c1 587264267 DYKHKHBKLGQDAL-UHFFFAOYSA-N 397.774 4.838 5 1 GJBF COc1ccc(COC(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 84725596 ZTDWKRICEKWKMK-UHFFFAOYSA-N 387.775 4.874 5 1 GJBF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587035189 POZSCKOOPRNOTQ-OAHLLOKOSA-N 394.456 4.957 5 1 GJBF Cc1nn(Cc2ccccc2-c2nc3c(C)ccc(C)c3[nH]2)c(C)c1[N+](=O)[O-] 587268276 ZRLDECJFSHUKPY-UHFFFAOYSA-N 375.432 4.617 5 1 GJBF CC(C)Oc1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587108912 CNMJLUIOOAXURM-UHFFFAOYSA-N 379.338 4.868 5 1 GJBF COc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Cl 587269464 CUCXVSHMHOVOKS-UHFFFAOYSA-N 380.791 4.862 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1ccc3cccc([N+](=O)[O-])c3n1)CC2=O 587470982 OAGNPNUDPIVVDJ-IBGZPJMESA-N 378.384 4.508 5 1 GJBF CCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1 1625027 AGKXEVPWSAEPDK-UHFFFAOYSA-O 377.464 4.688 5 1 GJBF CCc1cnc(-c2cnc(N[C@H](C)CC)nc2-c2cccc([N+](=O)[O-])c2)s1 82163797 JCPHQMDTJIFHPF-GFCCVEGCSA-N 383.477 4.948 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1)CC2=O 587472300 FXALHMGYDQLDOX-GHTZIAJQSA-N 397.471 4.765 5 1 GJBF CC(C)n1cc(-c2ccc(Oc3ccccc3[N+](=O)[O-])cc2)c2c(N)ncnc21 26264152 PWEMILVNKQAISL-UHFFFAOYSA-N 389.415 4.962 5 1 GJBF CCN(CC)CCNc1c2c(cc3oc4ccccc4c(=O)c13)OC(C)(C)C=C2 29231228 IOLGSVQUUTWJAO-UHFFFAOYSA-N 392.499 4.884 5 1 GJBF CCCCN(CCCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-] 58592840 HQRMIBOUBPPPMX-UHFFFAOYSA-N 378.351 4.511 5 1 GJBF Cc1ccc(O[C@H]2CCC[C@@H]2Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 73220857 FZHHRPHZFFMLDK-GJZGRUSLSA-N 383.231 4.984 5 1 GJBF O=C1NC(=O)/C(=C/c2ccc(OCCCC3CCCCC3)c([N+](=O)[O-])c2)S1 115790607 ORZINZSKSSWWJL-ATVHPVEESA-N 390.461 4.658 5 1 GJBF O=C(Nc1cccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1)c1ccc(F)cc1 587163729 NWMCOXJMAJUQCQ-UHFFFAOYSA-N 376.347 4.530 5 1 GJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 587546378 QKZPVFKNCNPXHA-FXAWDEMLSA-N 397.770 4.657 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc([N+](=O)[O-])c2Cl)N1 587691332 ATGOIAFSLKXOIQ-ZKANADHPSA-N 399.647 4.773 5 1 GJBF CC[C@H](Oc1ccccc1Cl)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587061180 BZPSZGIQMJQUJQ-AWEZNQCLSA-N 376.756 4.563 5 1 GJBF Cc1cc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc2cc1[N+](=O)[O-] 587782251 KKLRVVVUINWYTH-UHFFFAOYSA-N 375.384 4.731 5 1 GJBF O=C(O)CCCCCCCCCCCCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587956844 CKLBRYVMOGIMRD-UHFFFAOYSA-N 376.457 4.784 5 1 GJBF Cc1c(Br)cnc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587047507 JIBKOFQHWYFIAW-HWKANZROSA-N 393.628 4.761 5 1 GJBF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587044404 AQWLNEKKHKENTR-UHFFFAOYSA-N 386.166 4.601 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 587692686 LHNDRXZGEOMBIV-ZKANADHPSA-N 399.647 4.773 5 1 GJBF COc1cccc(C(=O)c2ccc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2)c1 587933051 UFBCMMNERCOGEU-UHFFFAOYSA-N 391.358 4.517 5 1 GJBF COc1ccc(-c2cc3cc(C)c4ccccc4c3oc2=O)c(OC)c1OC 71296894 PSKBLOBEBVJJOP-UHFFFAOYSA-N 376.408 4.947 5 1 GJBF COc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(Cl)c1OCC(C)C 587045848 GRAVNTCIXUSOHI-UHFFFAOYSA-N 375.812 4.835 5 1 GJBF Cc1nn(-c2cccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)c(C)c1Cl 587064774 GNIFZPSOFSJXJJ-UHFFFAOYSA-N 385.786 4.733 5 1 GJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)o1 587264599 IOMFWASQYJWZMM-UHFFFAOYSA-N 377.356 4.559 5 1 GJBF O=[N+]([O-])c1cccc2[nH]c(Cc3ccc(F)cc3)c(CCCC3OCCO3)c12 587645760 JNECEYDHWDBCFN-UHFFFAOYSA-N 384.407 4.502 5 1 GJBF CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587579091 YHVPQMCNNYESHT-SIKLNZKXSA-N 391.379 4.566 5 1 GJBF COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[C@H]1CCCN1C3 38796305 ZRGRTHUWZSWRSQ-CQSZACIVSA-N 393.483 4.548 5 1 GJBF biogenic O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)c1 587269933 JNNNYLDBPRGEFC-UHFFFAOYSA-N 386.198 4.902 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c(Cl)c2)N1 587696688 QSEZPWQPASXNJM-VPTHRUTESA-N 399.647 4.773 5 1 GJBF O[C@@]1(c2ccc(Cl)cc2)c2c(c3ccccc3c3ccccc23)C2=NCCN21 1662063 BNGGAXDPIFCFSB-DEOSSOPVSA-N 384.866 4.916 5 1 GJBF CC(C)c1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@+](C)([O-])[C@@H]1N2C 253651316 QHRLNUUKYIOMLK-KJOQGJGQSA-N 395.503 4.803 5 1 GJBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(F)c1[N+](=O)[O-] 587861958 YMHYBZZUWYQUFV-UHFFFAOYSA-N 381.285 4.614 5 1 GJBF COc1cccc(C(=O)c2ccc(-c3nc4cc(C)c([N+](=O)[O-])cc4[nH]3)cc2)c1 587933000 YCYBCDHYSNJTBG-UHFFFAOYSA-N 387.395 4.686 5 1 GJBF CC(C)CN1CCC(Nc2c3ccccc3[n+](C)c3c2[nH]c2ccccc23)CC1 64550035 BOASWLCVNBADRS-UHFFFAOYSA-O 387.551 4.831 5 1 GJBF CCOc1ccc2[nH]c3cc(NC(=O)c4ccc(F)cc4)ccc3c(=N)c2c1 1772655293 RHQJFFKQSQIYJX-UHFFFAOYSA-N 375.403 4.591 5 1 GJBF COc1cc2c3c(c1)O[C@@]1(C(=O)c4cccc5cc6ccccc6c1c45)[C@@H](C2)C3=O 587447945 WWJYZCFYBWULRR-SIBVEZHUSA-N 392.410 4.841 5 1 GJBF Cc1cnc(Nc2ccc([N+](=O)[O-])cc2)nc1Nc1nc2ccccc2s1 1857550092 GSHYADWDCNPMQW-UHFFFAOYSA-N 378.417 4.790 5 1 GJBF COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2cc3ccc(C)cc3nc2s1 4885959 LJKZBRUKQMVVKA-UHFFFAOYSA-N 393.424 4.927 5 1 GJBF COc1ccc2nc3ccc(OC)cc3c([S@](=O)Cc3ccccc3)c2c1 5582584 MSLAKSKHMJRNRM-MHZLTWQESA-N 377.465 4.713 5 1 GJBF COc1cc2ccc3c4cc(OC)c(SC)cc4c[n+](C)c3c2cc1OC 28523397 FLQSSCJUYSBMLO-UHFFFAOYSA-N 380.489 4.718 5 1 GJBF COc1cc(C[C@@H](O)c2ccc(-c3ccccc3F)cc2)c([N+](=O)[O-])cc1OC 653714231 DBEWJYRQFDHPDF-HXUWFJFHSA-N 397.402 4.694 5 1 GJBF c1ccc(C[C@@H]2N[C@@H](c3nc4c5cccnc5c5ncccc5c4[nH]3)CS2)cc1 587042354 SPLAJUXWYXEYJU-QZTJIDSGSA-N 397.507 4.606 5 1 GJBF O=[N+]([O-])c1ccc2c(-c3ccc(F)cc3)c(CCCCC3OCCO3)[nH]c2c1 587646301 ZPRUZEMOVJGCRK-UHFFFAOYSA-N 384.407 4.968 5 1 GJBF CCNCCCCNCCCCNCc1c2ccccc2cc2ccccc12 29055556 QZDQDSKRTXBGGT-UHFFFAOYSA-N 377.576 4.842 5 1 GJBF CCNc1ncc2c(n1)c(-c1ccc(Cl)cc1)nc1cc(C(=O)O)ccc12 73222386 SBPXCMXKIPTYLQ-UHFFFAOYSA-N 378.819 4.628 5 1 GJBF Cc1ccc2c3c(cc(-c4ccc(O)c([N+](=O)[O-])c4O)nc13)-c1ccccc1C2=O 587098652 RHUOFRBONWWCKZ-UHFFFAOYSA-N 398.374 4.741 5 1 GJBF Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1 587278454 NRDUKDVKJDVGEV-UHFFFAOYSA-N 395.802 4.779 5 1 GJBF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(C)(C)C 587203240 DNTULFMBAOQYPY-CQSZACIVSA-N 396.875 4.606 5 1 GJBF Cc1sc2c(c1C)CCN[C@@]2(c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 963010409 ODRMVSZPBRMLFC-NRFANRHFSA-N 382.460 4.850 5 1 GJBF CCc1cccc2nc3c(O)c(Br)cc(Br)c3nc12 1857613125 YPHLZJUMBFYLRN-UHFFFAOYSA-N 382.055 4.576 5 1 GJBF CC(C)=CCC[C@@]1(C)C=Cc2c(cc(O)c3c(=O)c4c(O)ccc(O)c4oc23)O1 13375542 HFJSQHGZXHTCLI-QHCPKHFHSA-N 394.423 4.974 5 1 GJBF biogenic,in-vitro Cc1ccc([N+](=O)[O-])c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587746797 LHGAAAIFZVSHMO-BBATYDOGSA-N 393.256 4.603 5 1 GJBF O=[N+]([O-])c1ccc(S(=O)(=O)Oc2c3ccccc3cc3sccc23)cc1 28826834 OIXNNPKZBNYOPQ-UHFFFAOYSA-N 385.422 4.730 5 1 GJBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1cccs1)c1ccccc1Cl 28469637 VJERDNPSCOBYQV-QGZVFWFLSA-N 377.853 4.621 5 1 GJBF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587749865 ZVIMLECIJUKYQL-ADLMAVQZSA-N 393.256 4.603 5 1 GJBF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587174258 IGYOJPCSLFWIHH-HNNXBMFYSA-N 396.429 4.522 5 1 GJBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3ccc4c(c3)OCO4)c2c1 653711378 DSCDVEXWQKPSFK-UHFFFAOYSA-N 392.842 4.813 5 1 GJBF CCCCNc1ncc(-c2ncc(CC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163410 DVSFAAZAPDOELU-UHFFFAOYSA-N 383.477 4.950 5 1 GJBF CC[C@@H](C)n1cc(Cl)c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)n1 587079532 IYKCOVNNOIVPLE-SSDOTTSWSA-N 398.648 4.722 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)cc([N+](=O)[O-])c1)CC2=O 587459152 CJKDTYYIQMNGKQ-LJQANCHMSA-N 375.808 4.787 5 1 GJBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2NCCc3c2sc(C)c3C)o1 963034085 XHUQJNRAXZBNOT-LJQANCHMSA-N 384.457 4.777 5 1 GJBF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587198694 QCWPLAHGADCJNC-UHFFFAOYSA-N 382.420 4.818 5 1 GJBF Cc1ccc([C@@]2(c3ccccc3)NCCc3ccc(F)c(C)c32)cc1[N+](=O)[O-] 962144509 LHEBDEAPYJJXDO-HSZRJFAPSA-N 376.431 4.788 5 1 GJBF Cc1nc(C2CC2)sc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587012061 MNNIJDNYMYIAPR-UHFFFAOYSA-N 379.239 4.543 5 1 GJBF C[C@@H]1CC(=O)[C@H](Cc2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263671 NMZQVYMXBNZVAF-UPRAQXHNSA-N 387.439 4.530 5 1 GJBF CCCCOc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1[N+](=O)[O-] 587279074 FHBWNQAGQCLDLI-UHFFFAOYSA-N 384.344 4.659 5 1 GJBF NCCCCNc1c2c3ccccc3nc-2oc2ccc(Br)cc12 95577212 YFGMWUOOHCUYAN-UHFFFAOYSA-N 384.277 4.999 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)cccc1[N+](=O)[O-])CC2=O 587460480 MYAZBIWEMPLPQS-IBGZPJMESA-N 375.808 4.787 5 1 GJBF COc1ccc2c(c1)CN1C(=N2)CS[C@H]1c1cc([N+](=O)[O-])ccc1Cl 6019824 XLTKGSJZLBPBBR-KRWDZBQOSA-N 375.837 4.548 5 1 GJBF Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(C(F)(F)F)c1 587095503 HMGWZNIZQWYOGX-UHFFFAOYSA-N 379.345 4.927 5 1 GJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)cc1 587272024 NMPBMTWYBRMINK-UHFFFAOYSA-N 389.367 4.702 5 1 GJBF COc1cc2c3c(c1)O[C@]1(C(=O)c4c5ccccc5cc5cccc1c45)[C@@H](C2)C3=O 587447326 QBQQDGXASKTESG-SIBVEZHUSA-N 392.410 4.841 5 1 GJBF CCCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)([O-])[C@@H]1N2C 14948523 ZILUEQLFAVLYQS-OYICLKKBSA-N 395.503 4.632 5 1 GJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(OC(F)(F)F)cc1 587645932 FJBHZMGTJAVUIG-UHFFFAOYSA-N 379.294 4.535 5 1 GJBF CCOC(=O)c1c(C)nn(-c2cccc(Cl)c2)c1-c1ccc([N+](=O)[O-])cc1 1857769035 XFDVFWVRKZBXSU-UHFFFAOYSA-N 385.807 4.586 5 1 GJBF O=[N+]([O-])c1cncc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015190 FYLBLWKWMLPPBW-UHFFFAOYSA-N 392.227 4.963 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1Cl 587092534 VNEHLTMXLXVOFU-UHFFFAOYSA-N 388.758 4.841 5 1 GJBF Cc1ccc(NC2(c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)CCCC2)cc1 587237047 LLKBTEPRDGMUCK-UHFFFAOYSA-N 381.392 4.569 5 1 GJBF Cc1cccc([N+](=O)[O-])c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587742960 BXUHHJSSLXWOHO-BBATYDOGSA-N 393.256 4.603 5 1 GJBF CC(C)=CCc1c(O)cc(O)c2c(=O)c3c4c(c(O)cc3oc12)OC(C)(C)C=C4 14638101 MKDFLYYRVUXINI-UHFFFAOYSA-N 394.423 4.756 5 1 GJBF biogenic COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C[C@H]3CCC[N+]3([O-])C2)cc1 14696001 LKJDIDQKBASUHE-QFADGXAASA-N 381.472 4.504 5 1 GJBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1CCCC3 14945572 QOACHGCSGQZXAL-UHFFFAOYSA-N 379.419 4.649 5 1 GJBF CCOC(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])cc1)n2-c1ccccc1 169353543 LWECYQHFOBASBI-UHFFFAOYSA-N 387.395 4.777 5 1 GJBF CC[C@H](C)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)c(C(=O)C(=O)OC)c2c1 587642251 KJEUBTFWXVKBPJ-LBPRGKRZSA-N 380.400 4.612 5 1 GJBF CCOc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)cc1 587645348 RHIAGMYVECWPAP-UHFFFAOYSA-N 378.306 4.725 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc([N+](=O)[O-])c2Cl)N1 587691330 ATGOIAFSLKXOIQ-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF Cc1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587143826 AYDXOFQZFAKSED-UHFFFAOYSA-N 391.358 4.951 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1)O2 587372886 BBBHJQFZRQGMHL-LJQANCHMSA-N 397.818 4.636 5 1 GJBF C[C@@H](OC(=O)c1ccccc1F)c1cccc2nc3c(C(=O)O)cccc3nc12 29466182 GBMRNUMRNQLJJN-GFCCVEGCSA-N 390.370 4.538 5 1 GJBF COc1cccc2oc3c(Cl)c(O)c([C@H]4CCC[C@@H](C)O4)c(O)c3c(=O)c12 40972698 MWYMVCYBLZZWPG-BXKDBHETSA-N 390.819 4.650 5 1 GJBF biogenic,in-vitro O=C1c2ccccc2-c2cc(-c3cccc([N+](=O)[O-])c3F)nc3ccc(O)c1c23 586989145 YTFFMQSVZCFODR-UHFFFAOYSA-N 386.338 4.866 5 1 GJBF Cc1nc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Br 587048477 WFQZPLFYSBBDSX-HWKANZROSA-N 393.628 4.761 5 1 GJBF O=C(O)c1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2cc1F 587272257 LUCXBSWKPBYJQD-UHFFFAOYSA-N 393.330 4.768 5 1 GJBF Cc1cc2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587191472 VECCZPRJSIQLBY-GOSISDBHSA-N 396.447 4.736 5 1 GJBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccc(Cl)cc1)c1cccs1 28469117 XFJFPNWGBBABIW-QGZVFWFLSA-N 377.853 4.621 5 1 GJBF C[N@@+]1([O-])c2ccccc2-c2cc(/C=C/Oc3ncccc3-c3cncnc3)cnc21 299849329 JIBUJZSHYBDUPZ-SJKFYFSZSA-N 395.422 4.730 5 1 GJBF Cc1cccc(Nc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])c1 1911572536 CWULAUQUQTXVSO-UHFFFAOYSA-N 376.368 4.576 5 1 GJBF CC1(C)Cc2c(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c(CC(=O)O)n2C1 13737365 VYMSMZLVFCEANQ-UHFFFAOYSA-N 390.439 4.940 5 1 GJBF O=[N+]([O-])c1cccc(-c2nc(-c3nnc(S)o3)cc3c2[nH]c2ccccc23)c1 40380018 JGOMOMGUKRNPMY-UHFFFAOYSA-N 389.396 4.630 5 1 GJBF Cc1ccc2c3c(cc(C(=O)c4ccc([N+](=O)[O-])cc4)nc13)-c1ccccc1C2=O 587097497 JNMJHICWICPSNT-UHFFFAOYSA-N 394.386 4.894 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587161188 LGTJTASUBSIXOT-WDEREUQCSA-N 376.185 4.644 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2=O 587464919 ZEBSBJBKZIDLJB-KRWDZBQOSA-N 395.333 4.978 5 1 GJBF O=C(/C=C/c1ccc(F)cc1)N(Cc1ccco1)Cc1ccccc1[N+](=O)[O-] 1911578965 CKLLJEQAHKPUQH-FMIVXFBMSA-N 380.375 4.569 5 1 GJBF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587044466 BYOLTMFNKNKOOO-UHFFFAOYSA-N 382.203 4.771 5 1 GJBF CC(C)c1cccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)c1 45258281 WWPXQMVCMYXKDG-FQEVSTJZSA-N 393.443 4.560 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N1 587752332 RDEHBWMWYODKLL-ZAIXAGPMSA-N 391.240 4.785 5 1 GJBF O[C@H](C[C@@H]1CCCCN1)c1cc2cc3c(cc2c2cc(Cl)ccc12)OCO3 169339505 AFJRESZEWIJSHC-MGPUTAFESA-N 383.875 4.941 5 1 GJBF COC(=O)[C@H](c1ccc(OC)c(OC)c1)c1c2ccccc2nc2ccccc12 26820006 WBBHMOSIDJLELA-JOCHJYFZSA-N 387.435 4.710 5 1 GJBF C[C@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339458 UFUHYHUDSYZZOH-IFMALSPDSA-N 393.370 4.714 5 1 GJBF COCCc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644214 QBOMODZZIHGFDV-UHFFFAOYSA-N 375.222 4.695 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2cccc3ccc4cccc1c4c23 587410302 ZORMZGVFAXWBIT-RUZDIDTESA-N 379.415 4.941 5 1 GJBF O=c1c(-c2ccccc2)coc2c1c(O)cc1occ(-c3ccccc3)c(=O)c12 653916410 UXLUXRYROFCXGA-UHFFFAOYSA-N 382.371 4.939 5 1 GJBF CCOC(=O)c1c(-c2ccc(OC)cc2)cc(-c2cccs2)c([N+](=O)[O-])c1N 96931786 XUMJZIFOZGENCO-UHFFFAOYSA-N 398.440 4.758 5 1 GJBF COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(F)c3)oc12 299861595 LQGDNWFXAHWZQN-UHFFFAOYSA-N 380.371 4.778 5 1 GJBF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587112945 IOAMRENJUPYEPO-VIFPVBQESA-N 394.309 4.744 5 1 GJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1Cc1ccc(I)cc1 587646102 TUEUZBXCJVFHQA-UHFFFAOYSA-N 392.196 4.580 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N1 587752330 RDEHBWMWYODKLL-PMLKMTPKSA-N 391.240 4.785 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1ccccc1[N+](=O)[O-])O2 587389985 OPQZGTKSZVYMND-NRFANRHFSA-N 390.395 4.984 5 1 GJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCCC[C@H]1C3=O 1857544406 PKZTZUDXXPWWCK-FQEVSTJZSA-N 391.467 4.570 5 1 GJBF Clc1ccc(C2=C[C@@H](c3nc4c5cccnc5c5ncccc5c4[nH]3)ON2)cc1 587076939 PQAVWSHMGUXJRC-KRWDZBQOSA-N 399.841 4.930 5 1 GJBF Cc1oc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1[N+](=O)[O-] 587269250 UPLFRJFOBWFMQA-UHFFFAOYSA-N 390.115 4.821 5 1 GJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)nccc3[nH]2)o1 587264477 GBCIOHLGJDTMTO-UHFFFAOYSA-N 385.177 4.556 5 1 GJBF C[C@@]1(CSc2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587534213 XPMFJMRBFSYGGD-NRFANRHFSA-N 383.469 4.990 5 1 GJBF O=[N+]([O-])c1cccc([C@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1 19318911 IFTOJBGVZHGMAL-MZYLBHOOSA-N 388.471 4.542 5 1 GJBF CCc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2cccc([N+](=O)[O-])c2)s1 206865097 VJKAHYADQBLDBL-FQEVSTJZSA-N 393.468 4.985 5 1 GJBF COCCNc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587262302 QKXPUDXTONSYTF-UHFFFAOYSA-N 381.219 4.503 5 1 GJBF CC/N=c1/cc2sc3cc(N(CC)CC)ccc3nc-2c2c(N)cccc12 103257735 OIEKUCLSOZADJR-MOHJPFBDSA-N 376.529 4.903 5 1 GJBF O=[N+]([O-])c1cccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586961200 SRPNNRKVAWQYPA-MUUNZHRXSA-N 391.452 4.509 5 1 GJBF COc1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)cc1O 587785707 FQFCMKPJBBOYNP-UHFFFAOYSA-N 379.347 4.658 5 1 GJBF N=c1[nH]c(-c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)cs1 587021319 KUGNYMSVHNUCKU-UHFFFAOYSA-N 394.463 4.862 5 1 GJBF O=[N+]([O-])c1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1Cl 587120247 FATTYRXRLOJPLW-UHFFFAOYSA-N 399.638 4.552 5 1 GJBF Nc1ccccc1Sc1ccc(CNc2cccc(C(=O)O)c2)cc1[N+](=O)[O-] 1911586094 REELWSSSKMUVLH-UHFFFAOYSA-N 395.440 4.639 5 1 GJBF COc1cc(Cl)ccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587066051 FVPQMRJXTGCEIC-UHFFFAOYSA-N 382.601 4.563 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2[N+](=O)[O-])N1 587691820 IQZSFMGKIWLBBG-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF CC(C)=CCc1ccc(O)c2oc3cc4c(c(O)c3c(=O)c12)CCC(C)(C)O4 14613748 ZNUHDTCPGJNVHM-UHFFFAOYSA-N 380.440 4.970 5 1 GJBF biogenic,in-vitro O=[N+]([O-])c1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] 587956343 XSHVCOXXAUGYJH-MRXNPFEDSA-N 388.383 4.754 5 1 GJBF Cc1c(F)cccc1-c1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc([N+](=O)[O-])c1 587136838 ONIFFASUUWZREU-UHFFFAOYSA-N 393.334 4.556 5 1 GJBF COc1cc(OC)c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1 587272625 WUPFCSQSINGQIK-UHFFFAOYSA-N 391.383 4.948 5 1 GJBF C[C@]1(Cc2c([N+](=O)[O-])ccc(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501134 AKNYJXYLHUTTIS-NRFANRHFSA-N 387.382 4.718 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882866 CLZTWTMURQFPAL-IJZKUYQOSA-N 376.254 4.701 5 1 GJBF Cc1nc(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2oc3ccccc3c2n1 36380926 ZYFMJRNZXALQIJ-UHFFFAOYSA-N 391.412 4.761 5 3 GJBF CC[C@H](C)n1cc(Cl)c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)n1 587080880 UWLJKDSVWHHMPQ-ZETCQYMHSA-N 398.648 4.722 5 1 GJBF Cc1c([N+](=O)[O-])cccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587748359 WMKPZZLFBCRUHX-MLCYQJTMSA-N 393.256 4.603 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc(CCc3cc4ccccc4o3)[nH]c12 586904183 RVYPAEBOIJXWAP-UHFFFAOYSA-N 386.205 4.765 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882868 CLZTWTMURQFPAL-NOTQWWDFSA-N 376.254 4.701 5 1 GJBF Cc1ccc([N+](=O)[O-])c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587746800 LHGAAAIFZVSHMO-ZMZPIMSZSA-N 393.256 4.603 5 1 GJBF O=C(O)CCCCCC[C@H]1CCC[C@@H]1NCCCc1ccc([N+](=O)[O-])cc1 27999759 WKSMDQKHMKWDGQ-ICSRJNTNSA-N 376.497 4.711 5 1 GJBF CCCCCNc1oc2c(C)ncc(CO)c2c1Nc1cccc([N+](=O)[O-])c1 95571684 PEWKBGWLJDXYGN-UHFFFAOYSA-N 384.436 4.882 5 1 GJBF O=C1C[C@](Cc2ccccc2[N+](=O)[O-])(C2CC2)Oc2c1ccc1c2CCCC1 587511166 FAQPDRIIJCHWNC-HSZRJFAPSA-N 377.440 4.830 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2[N+](=O)[O-])N1 587699011 RBHMEJRXSRXMBI-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF O=c1cc(N2CCN(c3ccccc3Cl)CC2)c2ccc3ccccc3c2o1 1857606306 NKMICRKLPSEIJQ-UHFFFAOYSA-N 390.870 4.926 5 1 GJBF C[C@@H]1Oc2cc(O)c3c(=O)c4cc5c(c(O)c4oc3c2C1(C)C)OC(C)(C)C=C5 238775745 JLUDWKYIDWFAGN-JTQLQIEISA-N 394.423 4.600 5 1 GJBF COc1nccc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c12 587136433 GLDCHTHBGSISPP-UHFFFAOYSA-N 378.363 4.656 5 1 GJBF CCOc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)cc1 587644864 FDCFCUZTEZSALP-UHFFFAOYSA-N 378.306 4.887 5 1 GJBF COC(=O)[C@@H](Cc1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 26753048 KXSQTEDQWJHEDB-SFHVURJKSA-N 385.419 4.616 5 1 GJBF O=c1c2ccccc2[nH]c2c(Cl)c3c(=O)c4ccccc4[nH]c3c(Cl)c12 84403464 UFLLEPHODSEMJD-UHFFFAOYSA-N 381.218 4.983 5 1 GJBF CC1=C[C@@H]2c3c(ccc4oc5cc(O)cc(O)c5c(=O)c34)OC(C)(C)[C@H]2CC1 13382748 RBXROYGIOKBJIU-KBPBESRZSA-N 378.424 4.968 5 1 GJBF biogenic Cc1cc2[nH]c(-c3cccc(-n4nc(C)c(Cl)c4C)c3)nc2cc1[N+](=O)[O-] 587064569 DFZARAVEVFPBEE-UHFFFAOYSA-N 381.823 4.902 5 1 GJBF COc1cc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2cn1 587136270 FJRFXHUDSITEPZ-UHFFFAOYSA-N 378.363 4.656 5 1 GJBF O=[N+]([O-])c1cccc(CNCC2CCN(Cc3ccc4ccccc4c3)CC2)c1 45325207 OEERRRATALFBSZ-UHFFFAOYSA-N 389.499 4.750 5 1 GJBF Cc1cc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587721492 WDRRVHNUSJXSIR-VVVCHXIZSA-N 397.219 4.568 5 1 GJBF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)c1 587048430 BGOUNGONKFGMPZ-UHFFFAOYSA-N 378.775 4.666 5 1 GJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)c(F)cc3[nH]2)c1F 587139291 FYTDRDSQIREFSZ-UHFFFAOYSA-N 388.555 4.832 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1 587696089 PFASUCSOCILZFN-VPTHRUTESA-N 399.647 4.773 5 1 GJBF CC[N+]1(C)CC[C@@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1 31852370 NAGNEDWJLLWFMD-MRBOTJLVSA-N 393.334 4.550 5 1 GJBF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1O 473147441 FCRJDUUJRDJWAT-UHFFFAOYSA-N 394.227 4.590 5 1 GJBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2ccc([N+](=O)[O-])cc21 587472273 ZXMCHNQTBHPOFH-JOCHJYFZSA-N 397.427 4.675 5 1 GJBF COc1cc(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc(OC)c1OC 40956926 QXFSWZVSCXDNAL-UHFFFAOYSA-N 399.424 4.580 5 1 GJBF CCOC(=O)c1ccc(-c2ccc3c(=O)c4ccccc4n(C)c3c2)cc1F 15935758 QLFVFCNHGQVBEQ-UHFFFAOYSA-N 375.399 4.675 5 3 GJBF COc1ccc(C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3o2)c2ccccn2)cc1 28001448 MMOMWDGIWWFNAX-SFHVURJKSA-N 390.399 4.536 5 1 GJBF COc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1Cl 586979702 ICDHWVUIQXWLSU-UHFFFAOYSA-N 396.628 4.871 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587161187 LGTJTASUBSIXOT-QWRGUYRKSA-N 376.185 4.644 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2ccc([N+](=O)[O-])cc21 587389686 MZSREFLDZVMMHA-QFIPXVFZSA-N 388.379 4.500 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1[N+](=O)[O-] 587547301 LODQSSKTOXLPCD-YLJYHZDGSA-N 397.770 4.657 5 1 GJBF CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12 587645741 CIYTZKFHTRHUIC-UHFFFAOYSA-N 378.306 4.939 5 1 GJBF CCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746775 LEFYRSUMTGJJBD-YPMLDQLKSA-N 393.256 4.682 5 1 GJBF COc1ccc2c(c1)C[C@@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)CC2 587947600 YLFILJOAJNQVNQ-HNNXBMFYSA-N 380.451 4.940 5 1 GJBF CCOC(=O)c1c(-c2ccccc2)n2c3ccccc3c(=O)n2c2ccccc12 1911581962 SBCHZZHMMIMVDI-UHFFFAOYSA-N 382.419 4.549 5 1 GJBF CC(C)=CCc1c2c(c3oc4c(O)ccc(O)c4c(=O)c3c1O)C=CC(C)(C)O2 14610230 UTJUCKQNRWMQHF-UHFFFAOYSA-N 394.423 4.756 5 1 GJBF biogenic,in-vitro O=[N+]([O-])c1cc(Br)cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586885437 MUFCSSCAOGDYEN-ACJLOTCBSA-N 384.233 4.605 5 1 GJBF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3[N+](=O)[O-])c(C(=O)C(=O)OC)c2c1 587643416 UEOGYFQPDJWJAL-GFCCVEGCSA-N 380.400 4.612 5 1 GJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc([N+](=O)[O-])c1 587865951 QLRZTLWCPUVQNQ-UHFFFAOYSA-N 377.322 4.865 5 1 GJBF NC(=O)c1ccsc1NC(=O)Cc1ccc2ccc3cccc4ccc1c2c34 71316936 DJINZTNHFHWYFN-UHFFFAOYSA-N 384.460 4.926 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(CC)cc([N+](=O)[O-])c1OC)CC2=O 587472339 GYEJZHYXJAJXBB-QFIPXVFZSA-N 399.443 4.705 5 1 GJBF Cc1ccc(O[C@H]2CCC[C@H]2Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 73220861 FZHHRPHZFFMLDK-CABCVRRESA-N 383.231 4.984 5 1 GJBF O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1CC[C@H]3O1 63291224 UUGQYFCRDPAFOP-ZWKOTPCHSA-N 379.419 4.967 5 1 GJBF O=[N+]([O-])c1cccc(CCc2nc3cc(Br)cc(Cl)c3[nH]2)c1 587269842 HLZJRYGNZVMTJV-UHFFFAOYSA-N 380.629 4.672 5 1 GJBF CC[N+](C)(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1 14973957 GHBQNWUSTNMXSR-UHFFFAOYSA-O 391.333 4.536 5 1 GJBF Cc1c2c(c3oc4cc(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@H]5C)O[C@H](C)[C@H]2C 38238691 WZDGQCYEIYZRBL-NRMKKVEVSA-N 380.440 4.989 5 1 GJBF Nc1nc(-c2ccc(Cl)cc2)nc2nc3c(Cl)ccc(Cl)c3nc12 96915916 JPULOSGVYLLTIW-UHFFFAOYSA-N 376.634 4.782 5 1 GJBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc([N+](=O)[O-])c1 587135629 KKWATPOXZVXMEJ-UHFFFAOYSA-N 391.358 4.951 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cccc([N+](=O)[O-])c3)cc1)O2 587388960 IAANRRAFKYZMKP-OAQYLSRUSA-N 390.395 4.984 5 1 GJBF O=[N+]([O-])c1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1[N+](=O)[O-] 587145381 LWCOBDSQRRADQR-UHFFFAOYSA-N 392.346 4.776 5 1 GJBF CCOC(=O)c1c(-c2cc(F)c(F)c(C)c2F)[nH]c2cccc([N+](=O)[O-])c12 587645632 AHARTFRKAFJXKI-UHFFFAOYSA-N 378.306 4.646 5 1 GJBF C[C@@]1(COCc2ccc(Oc3ccccc3)cc2)Cn2c([N+](=O)[O-])cnc2S1 1772585962 IZPWIFQTMIXZPD-FQEVSTJZSA-N 397.456 4.665 5 1 GJBF O=C(O)CCCCCC[C@@H]1CCC[C@H]1NCCCc1ccc([N+](=O)[O-])cc1 27999762 WKSMDQKHMKWDGQ-UYAOXDASSA-N 376.497 4.711 5 1 GJBF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)(C)[C@@H]2N3C)cc1 53230573 IZIGCHHIRHKMJQ-UPVQGACJSA-O 394.539 4.935 5 1 GJBF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CC2=O 587473411 UGVPEQBQWLCDAV-MWTRTKDXSA-N 395.455 5.000 5 1 GJBF O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587649071 OZLIQXUSIVPPKW-UHFFFAOYSA-N 383.363 4.544 5 1 GJBF COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(F)cc2)cc1 28347113 YCMFUIBINRGXRN-UHFFFAOYSA-N 382.347 4.787 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882864 CLZTWTMURQFPAL-BHGXRVDKSA-N 376.254 4.701 5 1 GJBF c1ccc(C[C@@H]2N[C@H](c3nc4cc5nc6ccccc6nc5cc4[nH]3)CS2)cc1 587041317 MVQDLHSMGGEHAV-FCHUYYIVSA-N 397.507 4.606 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)cc([N+](=O)[O-])c1)CC2=O 587459151 CJKDTYYIQMNGKQ-IBGZPJMESA-N 375.808 4.787 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc(CSCc3ccsc3)[nH]c12 587025993 JSENTMROYIXYSV-UHFFFAOYSA-N 384.280 4.729 5 1 GJBF CCOC(=O)c1c(-c2ccc(OCC)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587644668 KEUVNRVQQHAPJC-UHFFFAOYSA-N 388.807 4.972 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587952591 UHNMEQLEEAPWQR-UHFFFAOYSA-N 388.221 4.832 5 1 GJBF COc1cc(C[C@@H](O)c2ccc(-c3ccc(F)cc3)cc2)c([N+](=O)[O-])cc1OC 653708449 GTRSWTFAACLWOR-HXUWFJFHSA-N 397.402 4.694 5 1 GJBF CCN(CC)c1ccc2c(=O)c3cc4c(c(OC)c3oc2c1)CCC(C)(C)O4 103146646 INRPKKOPBSKFGV-UHFFFAOYSA-N 381.472 4.905 5 1 GJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cccc(Br)c3[nH]2)c1 587269056 JBSKQRLCSJLAOC-UHFFFAOYSA-N 387.237 4.501 5 1 GJBF COc1ccc2c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)C2=O 49803098 YNIYQKMSQKDKEV-UNMCSNQZSA-N 375.380 4.704 5 1 GJBF COc1ccc(CN(C(=O)OC2C[C@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)cc1 101152121 FJEQHMBUGJOIRZ-NHCUHLMSSA-N 395.523 4.608 5 1 GJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963115428 VJBQMHOQVMXAFV-RDTXWAMCSA-N 380.341 4.863 5 1 GJBF CC1=C[C@H]2c3c(ccc4oc5cc(O)cc(O)c5c(=O)c34)OC(C)(C)[C@H]2CC1 13382749 RBXROYGIOKBJIU-KGLIPLIRSA-N 378.424 4.968 5 1 GJBF biogenic CC[C@@H]1CC=C[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(Cc3ccccc3)C(=O)[C@H]12 13830252 OEBGFETZQKYEAP-BRKWEVRTSA-N 376.456 4.897 5 1 GJBF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc([N+](=O)[O-])cc3CC1)CC2=O 587468945 CCLBEVPOTWIRBB-JOCHJYFZSA-N 381.428 4.536 5 1 GJBF Cc1c(F)ccc2c1[C@H](c1ccc(OCc3ccccc3)cc1[N+](=O)[O-])NCC2 962090406 IMYFCYHTIDGSEH-QHCPKHFHSA-N 392.430 4.856 5 1 GJBF O=[N+]([O-])c1ccccc1[C@H]1N2CCCC[C@@H]2[C@@H]2c3[nH]c4ccccc4c3CCN12 19321919 CLPYZIKKIHOWQZ-MZYLBHOOSA-N 388.471 4.542 5 1 GJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nccc(Br)c3[nH]2)o1 587266328 YMQZARDIERUBIS-UHFFFAOYSA-N 385.177 4.556 5 1 GJBF CC1(C)C[C@]2(CC(C)(C)c3ccc(O)c([N+](=O)[O-])c32)c2cc(O)c([N+](=O)[O-])cc21 26163274 MCRHMHKHIGHINP-OAQYLSRUSA-N 398.415 4.563 5 1 GJBF Cn1c2nc(-c3ccccc3)nc(=O)c-2c(NCc2ccccc2)c2ccccc21 40938993 FUIVDCJWBPAFMQ-UHFFFAOYSA-N 392.462 4.712 5 1 GJBF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587151613 SXMYJKILFBBHCH-SSDOTTSWSA-N 398.163 4.652 5 1 GJBF Cc1c(F)ccc2c1[C@@](Cc1ccccc1)(c1cccc([N+](=O)[O-])c1)NCC2 962299524 OISZUXJNLRFEBV-HSZRJFAPSA-N 376.431 4.674 5 1 GJBF CC(C)=CCC[C@]1(C)C=Cc2c(cc3oc4c(O)ccc(O)c4c(=O)c3c2O)O1 13335024 UHEJIRYUKLACET-HSZRJFAPSA-N 394.423 4.974 5 1 GJBF biogenic,in-vitro COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Cl)c1O 587046185 MMQKLODCWQTFIM-UHFFFAOYSA-N 376.803 4.694 5 1 GJBF Cn1c2c(O)cccc2c(=O)c2c3c(c4c(c21)CCC(C)(C)O4)CCC(C)(C)O3 14590516 BQUBVBNXXOHNRM-UHFFFAOYSA-N 393.483 4.605 5 1 GJBF biogenic COc1c(C)c([C@H]2C/C(=C/C(C)=C/c3ccc([N+](=O)[O-])cc3)CO2)oc(=O)c1C 85602146 LKHKXHOLATYTGS-WACKOAQBSA-N 397.427 4.665 5 1 GJBF COc1ccc2[nH]c3c(C)c4cc[n+](CCCCC(=O)O)cc4c(C)c3c2c1 28002479 VHNWKMFCMQJQEY-UHFFFAOYSA-O 377.464 4.642 5 1 GJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)o1 587266201 XBELJGFMMXVGOR-UHFFFAOYSA-N 385.282 4.720 5 1 GJBF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587080183 NMTQFXADJQEZST-LBPRGKRZSA-N 390.230 4.502 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1)CC2=O 587471760 UFGROMVJRGOESC-OAQYLSRUSA-N 392.411 4.750 5 1 GJBF COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587510365 AGHVJIUZXNAZBW-QHCPKHFHSA-N 393.439 4.679 5 1 GJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 101152079 LMDNOMYZUIYOBM-BCDXTJNWSA-N 377.555 4.723 5 1 GJBF C[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128439 MEUIWLVPNCJAKW-YFKPBYRVSA-N 391.712 4.806 5 1 GJBF COc1ccc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1[N+](=O)[O-] 587510340 AENUWTKNGQCPLC-LJQANCHMSA-N 392.411 4.670 5 1 GJBF CN1CCC[C@@H]1CCOc1ccc2c(=O)c3c(Cl)c(Cl)ccc3[nH]c2c1 1857606822 NLYZKSLDJNPZKX-GFCCVEGCSA-N 391.298 4.851 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587153179 WREKPTVONTWVCR-VHSXEESVSA-N 394.175 4.783 5 1 GJBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1cc(O)nc2c1ccc1ccccc12 1772632521 MIWBKLSDARDEAG-KPKJPENVSA-N 386.363 4.621 5 1 GJBF CNc1cc(Cl)ccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587067330 UWZKMBASLFEUAO-UHFFFAOYSA-N 381.617 4.596 5 1 GJBF Cc1c(F)cccc1-c1cc(-c2nc3nc(Cl)c[nH]c-3n2)cc([N+](=O)[O-])c1 587136353 YPYOMXJZAYICDG-UHFFFAOYSA-N 383.770 4.648 5 1 GJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2)cc1 587272176 OWKKOWNLFSAWQS-UHFFFAOYSA-N 376.328 4.839 5 1 GJBF CCN(CC)CCOc1ccc2c(=O)c3c(Cl)ccc(Cl)c3[nH]c2c1 1857589072 IVUGPYBIYNZRRI-UHFFFAOYSA-N 379.287 4.709 5 1 GJBF CN1CCN(c2c3c4ccccc4nc-3n(C)c3ccc(C(F)(F)F)cc23)CC1 103172635 IMVRSMJBVJPRNH-UHFFFAOYSA-N 398.432 4.602 5 1 GJBF Cc1c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075649 KHXBQCBROTUHOS-UHFFFAOYSA-N 388.214 4.939 5 1 GJBF Cc1cc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587721467 VXOYHSURRGUJDC-HUTHGQBESA-N 397.219 4.568 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3Cc4ccccc4S3)[nH]c12 587042797 MMTLDAMKGKNIPQ-GFCCVEGCSA-N 376.235 4.623 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2[N+](=O)[O-])N1 587691822 IQZSFMGKIWLBBG-ZKANADHPSA-N 399.647 4.773 5 1 GJBF CC(C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1 100705976 KRCUVBZXPJPKKG-UHFFFAOYSA-N 380.429 4.640 5 1 GJBF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587433079 NFNPWGWERZOWOL-WMZHIEFXSA-N 387.391 4.759 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1 587547956 OJQHGUKLJGINLX-XLIONFOSSA-N 397.770 4.657 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1 587691738 DKGUWJJUEJWACL-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF COc1oc([C@@H]2C/C(=C\C(C)=C/c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C 106991117 GQKXCBCSVYJUMI-WOLXHCTKSA-N 397.427 4.665 5 1 GJBF CC[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 299813017 OEBGFETZQKYEAP-HLRQEUIKSA-N 376.456 4.897 5 1 GJBF O=[N+]([O-])c1cccc(CCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587269982 KHDJSOFVMIKPAV-UHFFFAOYSA-N 385.729 4.808 5 1 GJBF COc1cc(Br)c(Br)c2nc3cc(C)c(C)cc3nc12 72109901 HPOJFIQNVXUHDL-UHFFFAOYSA-N 396.082 4.933 5 1 GJBF O=c1c2ccccc2oc2c1c(O)cc1oc(-c3c(F)cc(F)cc3F)nc12 1857752102 RZKPUFWXQJJAHE-UHFFFAOYSA-N 383.281 4.877 5 1 GJBF CCCC(=O)Nc1nc2c(ccc3onc(-c4ccccc4[N+](=O)[O-])c32)s1 13660901 PEIXWRAZGWQKAS-UHFFFAOYSA-N 382.401 4.751 5 3 GJBF C[n+]1c2ccc(Br)cc2cc2[nH]c3ccc(Br)cc3c21 1494205 JXZJTCBXPUJTCV-UHFFFAOYSA-O 391.086 4.824 5 1 GJBF CCc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)s1 82163515 YDVRASMHUWEKBO-UHFFFAOYSA-N 397.504 4.830 5 1 GJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc([N+](=O)[O-])cc1C 587865708 FXAVCPCEVONSSR-UHFFFAOYSA-N 392.337 4.568 5 1 GJBF CCN(CC)CCOc1ccc2c(=O)c3cc(Cl)cc(Cl)c3[nH]c2c1 1857552912 SJSKWECHPYQNHV-UHFFFAOYSA-N 379.287 4.709 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587161684 PFIBCPPAJLPVHF-NWDGAFQWSA-N 376.185 4.644 5 1 GJBF O=[N+]([O-])c1cccc([C@H]2c3sc4ccc(Cl)cc4c3N=C3N=NNN32)c1 1857556129 GFEAPWKLLGGQSE-AWEZNQCLSA-N 384.808 4.741 5 1 GJBF COc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1[N+](=O)[O-] 586987066 JYLYONUCSDHEDC-UHFFFAOYSA-N 398.374 4.736 5 1 GJBF COc1ccc2c(c1[N+](=O)[O-])-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587104848 KUGXRGKILKHAHN-UHFFFAOYSA-N 394.386 4.934 5 1 GJBF CN(Cc1ccccc1)c1cc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1 1857584355 INMJFUDWIZUNFQ-UHFFFAOYSA-N 394.374 4.825 5 1 GJBF Cc1cc(Cl)cc(Cl)c1CN=c1c([N+](=O)[O-])c(O)oc2ccccc12 299872427 OBOQPMZDTABMPY-UHFFFAOYSA-N 379.199 4.763 5 1 GJBF aggregator COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc([N+](=O)[O-])c4)cc1)[C@@H](C2)C3=O 587433090 NIYQNPOLWNWKKZ-CVDCTZTESA-N 387.391 4.759 5 1 GJBF O=c1c2ccccc2c(Cc2ccccc2Cl)nn1-c1ccc([N+](=O)[O-])cc1 40565252 GNBQTKYUBYYNPM-UHFFFAOYSA-N 391.814 4.538 5 1 GJBF CC(=O)c1ccc(-c2cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)ccc2F)cc1 587139218 CDCSYTMFGVCYCM-UHFFFAOYSA-N 376.347 4.542 5 1 GJBF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587174259 IGYOJPCSLFWIHH-OAHLLOKOSA-N 396.429 4.522 5 1 GJBF Cn1ccc2c3ccccc3nc3c(CC[N+](C)(C)[O-])c4ncsc4c1c32 238752282 SBIAUCKJWYZOBN-UHFFFAOYSA-N 376.485 4.606 5 1 GJBF O=[N+]([O-])c1cc(/C=C\c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1Cl 587047823 OHTPAXFYMDHYIL-RQOWECAXSA-N 379.706 4.616 5 1 GJBF O=C1CS[C@@H](c2cc3ccccc3nc2Cl)N1c1cccc([N+](=O)[O-])c1 103168512 JATMFHVZUPTTGM-SFHVURJKSA-N 385.832 4.575 5 1 GJBF COc1cc2c(c(OC)c1OC)[C@@H](Cc1ccc3ccccc3c1)[N+](C)(C)CC2 36184621 XPGJMSLOJIEWIQ-OAQYLSRUSA-N 392.519 4.782 5 1 GJBF CC(C)=CCc1c2c(O)c3c(O)c(CC=C(C)C)c(O)cc3oc-2cc(=O)c1O 100307843 IJFBHFDLMBLGQY-UHFFFAOYSA-N 396.439 4.738 5 1 GJBF in-vitro O=[N+]([O-])c1ccc(Oc2ccc(NC(=S)Oc3ccc(O)cc3)cc2)cc1 1857775276 NJWAGRXGNNMJEP-UHFFFAOYSA-N 382.397 4.869 5 1 GJBF Cc1cnc(-c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163465 QDCXSIBRDVCLJY-UHFFFAOYSA-N 379.420 4.760 5 1 GJBF O=c1cc(NCc2ccc(F)cc2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857547701 NVCGUOPIZHSYTE-UHFFFAOYSA-N 398.337 4.940 5 1 GJBF C[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129692 ZLMPFAMKYFLYPH-YFKPBYRVSA-N 391.712 4.806 5 1 GJBF COc1cccc(OCc2ccc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2)c1 587781293 IEBUOWNJTWXGHQ-UHFFFAOYSA-N 375.384 4.726 5 1 GJBF C[C@H]1CCCN(c2cc3nc(-c4ccccc4)nn4c5ccccc5c(c2=O)c34)C1 95576541 KMPZYVUPUXSUIK-INIZCTEOSA-N 394.478 4.737 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc(CCc3ccccc3Cl)[nH]c12 587059069 LYHKXEAANKCJLI-UHFFFAOYSA-N 380.629 4.672 5 1 GJBF C[C@H](Oc1ccccc1)C(=O)NCc1nc2c3ccccc3c3ccccc3c2[nH]1 587225772 TVDBJTPSXGBXML-INIZCTEOSA-N 395.462 4.953 5 1 GJBF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CC2=O 587473410 UGVPEQBQWLCDAV-HJPURHCSSA-N 395.455 5.000 5 1 GJBF Nc1ncc(-c2cncc(OCc3ccc(Cl)cc3Cl)c2)cc1[N+](=O)[O-] 1857654336 DAJSYFWBEZYECY-UHFFFAOYSA-N 391.214 4.520 5 1 GJBF O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Nc1ncccc1OCc1ccccc1 13680249 SLCYSNLDYSIQGB-UHFFFAOYSA-N 398.806 4.866 5 1 GJBF C[C@@H]1Oc2cc3oc4c5c(c(O)cc4c(=O)c3c(O)c2C1(C)C)OC(C)(C)C=C5 299840119 UNAGKSRBZSVESZ-JTQLQIEISA-N 394.423 4.600 5 1 GJBF Cc1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 587056676 SRVFXOXLIFEAGX-KRWDZBQOSA-N 386.839 4.560 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])c(F)cc1Cl)CC2=O 587464828 AQWNZEYJMFHZHR-KRWDZBQOSA-N 379.771 4.752 5 1 GJBF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587749867 ZVIMLECIJUKYQL-VOJFVSQTSA-N 393.256 4.603 5 1 GJBF COc1cc2oc(=O)c3c4ccc(O)cc4oc3c2c(OC)c1CC=C(C)C 14682349 ACDSUMGMZHXCRO-UHFFFAOYSA-N 380.396 4.924 5 1 GJBF endogenous,in-man CCOc1cc(/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1OC(F)F 587130643 NMOAJIYJFGTTGP-VQHVLOKHSA-N 375.331 4.642 5 1 GJBF COc1cccc(C(=O)c2c(C(F)(F)Cl)[nH]c3cccc([N+](=O)[O-])c23)c1 587644762 BRKGEMCCDJAJEO-UHFFFAOYSA-N 380.734 4.604 5 1 GJBF COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)Cl)cc1 587644824 CKGQVPSAJPAZKX-UHFFFAOYSA-N 380.734 4.766 5 1 GJBF Cc1cccc([N+](=O)[O-])c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748551 XPFGXGJRAPWIPC-VOJFVSQTSA-N 393.256 4.603 5 1 GJBF COc1ccc([C@@H](O)[C@H](C)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587938665 YJIQGHVMOPGDBK-XMHCIUCPSA-N 384.439 4.505 5 1 GJBF CC[C@H]1CC=C[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(Cc3ccccc3)C(=O)[C@H]12 13830254 OEBGFETZQKYEAP-ZHNGQKSSSA-N 376.456 4.897 5 1 GJBF O[C@@H](C[C@@H]1CCCCN1)c1cc2cc3c(cc2c2cc(Cl)ccc12)OCO3 169339503 AFJRESZEWIJSHC-YWZLYKJASA-N 383.875 4.941 5 1 GJBF CC[N@+]1(C)CC[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1 263603002 NAGNEDWJLLWFMD-NHCICSSKSA-N 393.334 4.550 5 1 GJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586974985 ZQFYUGLBQWYXDV-UHFFFAOYSA-N 396.472 4.771 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2cccc3cc4ccccc4c1c23 587406501 HXAFIGUIBONSHU-RUZDIDTESA-N 379.415 4.941 5 1 GJBF COc1ccc(C(=O)c2c(C(F)(F)Cl)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587645265 NIQUSCGDSLEJSB-UHFFFAOYSA-N 380.734 4.604 5 1 GJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)c1 587270833 UXBRWQRGYLARCQ-UHFFFAOYSA-N 386.198 4.902 5 1 GJBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1Cl 587047714 LJGBDQBRVRKSMD-HWKANZROSA-N 383.770 4.620 5 1 GJBF COc1ccc2c(c1)O[C@@H](c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)C2=O 49803023 PEDGTJVKEYCMHP-IRLDBZIGSA-N 375.380 4.704 5 1 GJBF O=C(COc1ccc(OC(F)(F)F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280254 PUQGBPKVLQHVQQ-UHFFFAOYSA-N 381.262 4.501 5 1 GJBF CC(C)(C)OC(=O)NCCc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587647264 TWQPPZCMVWYQPI-UHFFFAOYSA-N 381.432 4.810 5 1 GJBF CCN(CC)CCn1c2ccccc2c2sc3cc(OC)ccc3c(=O)c21 43011228 DUMKAGBUDVYFSD-UHFFFAOYSA-N 380.513 4.720 5 1 GJBF COc1cc(CNc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc(OC)c1OC 82154423 CMLXRWBZHMCTCE-UHFFFAOYSA-N 394.427 4.900 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882920 CYQOMASKGFKOOW-PRTSGDIISA-N 376.254 4.701 5 1 GJBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1ccc(Cl)s1 28466302 PSACVIHUZZPVQL-KRWDZBQOSA-N 377.853 4.621 5 1 GJBF O=C(O)c1cccc2c(-c3nc4ccccc4[nH]3)c(-c3ccc([N+](=O)[O-])cc3)[nH]c12 587638861 WTXJYZJCRCFORZ-UHFFFAOYSA-N 398.378 4.985 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)cccc1[N+](=O)[O-])CC2=O 587460481 MYAZBIWEMPLPQS-LJQANCHMSA-N 375.808 4.787 5 1 GJBF Cc1nc(SCc2nc3ccccc3[nH]2)c2oc3cc([N+](=O)[O-])ccc3c2n1 36380950 MQDMRYMAMQGPNV-UHFFFAOYSA-N 391.412 4.761 5 3 GJBF CC1=C[C@H]2c3c(ccc4oc5cc(O)cc(O)c5c(=O)c34)OC(C)(C)[C@@H]2CC1 13382747 RBXROYGIOKBJIU-ZIAGYGMSSA-N 378.424 4.968 5 1 GJBF biogenic O=[N+]([O-])c1ccc(NCc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)cc1 28863078 SFYPSJQMWPLISV-UHFFFAOYSA-N 378.388 4.727 5 1 GJBF Cc1c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cccc1[N+](=O)[O-] 587260808 GCNLVRWHFDLNGM-UHFFFAOYSA-N 390.237 4.996 5 1 GJBF O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 40873639 DABZDJSBKDSASC-UHFFFAOYSA-N 391.358 4.723 5 1 GJBF Cc1cnc(-c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163810 XVIRYILONWZVOQ-UHFFFAOYSA-N 387.399 4.627 5 1 GJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 587546384 QKZPVFKNCNPXHA-YLJYHZDGSA-N 397.770 4.657 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2[N+](=O)[O-])N1 587691819 IQZSFMGKIWLBBG-BCTVWOGZSA-N 399.647 4.773 5 1 GJBF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c(F)c2)c1 587138571 NCYNYEMBQWPHDB-UHFFFAOYSA-N 395.321 4.782 5 1 GJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587159721 VIANJWPAVIIZSX-UHFFFAOYSA-N 389.692 4.861 5 1 GJBF O=[N+]([O-])c1cncc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587095260 TXGLEMFBVLAPGD-UHFFFAOYSA-N 376.216 4.571 5 1 GJBF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 587272616 WNTYUDILRBUSJA-LJQANCHMSA-N 389.371 4.654 5 1 GJBF Nc1c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc2ccccc12 587254379 ODBQKYOLXKJVBW-UHFFFAOYSA-N 383.205 4.636 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccccc1[N+](=O)[O-])CC2=O 587472894 OCUMZHPJBFTBQY-OAQYLSRUSA-N 392.411 4.750 5 1 GJBF COc1ccc([C@H](c2ccccc2)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 587937549 PFOFUFPVAUUKND-FQEVSTJZSA-N 377.375 4.799 5 1 GJBF C[N+](C)(CCCCCCCCCc1ccccc1)CCCCS(=O)(=O)O 26576285 MFCJHDHTDIKHEA-UHFFFAOYSA-O 384.606 4.704 5 1 GJBF in-vivo O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1[N+](=O)[O-] 587541030 CZTJKGROQXFXBS-YLJYHZDGSA-N 397.770 4.657 5 1 GJBF Cn1c2ccccc2c2c3c(c4c5ccccc5n(CC(F)F)c4c21)CNC3=O 5932661 SEAHSSUYMJWMKY-UHFFFAOYSA-N 389.405 4.948 5 1 GJBF CCCNCCCNCCCCNCc1c2ccccc2cc2ccccc12 40848152 RQNLDFVGIBJEKQ-UHFFFAOYSA-N 377.576 4.842 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1OC(F)F)CC2=O 587467247 RUQMQGYZJLJHBO-QGZVFWFLSA-N 393.342 4.561 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCCC1)CC2=O 587472565 JYVFLNAOVQMGOA-NRFANRHFSA-N 396.443 4.560 5 1 GJBF COc1ccc(C(=O)c2ccccc2-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1F 587143604 AQJXMGZTKWCEIK-UHFFFAOYSA-N 391.358 4.517 5 1 GJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963115422 VJBQMHOQVMXAFV-KBXCAEBGSA-N 380.341 4.863 5 1 GJBF CCCN(CCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 40952622 ZHDGKCYNNBNSNX-UHFFFAOYSA-N 393.443 4.574 5 1 GJBF C1=C[C@@H]2C[C@@H]3CC=CCC3=C(c3nnc4nnc5c6ccccc6[nH]c5n34)[C@H]2C=C1 98081979 YCOPCMNKNJLSFU-PMPSAXMXSA-N 392.466 4.636 5 1 GJBF Cc1sc2c(c1C)CCN[C@]2(c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 963010410 ODRMVSZPBRMLFC-OAQYLSRUSA-N 382.460 4.850 5 1 GJBF Cn1c2nc3ccccc3c-2c(NCCCCN)c2cc(Br)ccc21 103006018 QOYUKAQNZHXJJL-UHFFFAOYSA-N 397.320 4.745 5 1 GJBF COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(C)cc3Cl)c[n+]12 299844612 KGHSQTDIGRLGFR-UHFFFAOYSA-O 390.850 4.599 5 1 GJBF O=C(Nc1cccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1)c1ccc(F)cc1 587162753 IVRFEEIEJHHVTR-UHFFFAOYSA-N 394.337 4.669 5 1 GJBF CC1(C)COc2c(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cccc21 586911563 IONNHWKXXDUQII-UHFFFAOYSA-N 388.221 4.571 5 1 GJBF Cc1cc2[nH]c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2cc1[N+](=O)[O-] 587164616 XZXOURZKLMQHRV-UHFFFAOYSA-N 390.374 4.838 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1ccnc3c([N+](=O)[O-])cccc13)CC2=O 587468824 BIDPJOKPNXVLOE-IBGZPJMESA-N 378.384 4.508 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2Cl)N1 587695403 NJWBGXZTSHAJOA-VPTHRUTESA-N 399.647 4.773 5 1 GJBF Cc1cc(-c2ccc(OCCn3c([N+](=O)[O-])cnc3C)cc2)nc2ccccc12 1857541325 UFRLVOYNESDMHM-UHFFFAOYSA-N 388.427 4.702 5 1 GJBF Cc1ccc(-c2cc(C(=O)O)ccc2Nc2ccc([N+](=O)[O-])c3nonc23)cc1 1857599100 LZQZNFCYICMVKC-UHFFFAOYSA-N 390.355 4.548 5 1 GJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)c1 587270374 NDGXBYFSRFAYPH-UHFFFAOYSA-N 386.198 4.902 5 1 GJBF O=c1c2sccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccccc1Cl 1857619622 KTSXOCXKTLMZAU-FNORWQNLSA-N 399.815 4.772 5 1 GJBF COc1cccc2c1oc1c3c(cc4c1c2nn4CCN(C)C)OC(C)(C)C=C3 26575944 SGOGJXXSYFPGJQ-UHFFFAOYSA-N 391.471 4.690 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cccc([N+](=O)[O-])c3n1)CC2=O 587470983 OAGNPNUDPIVVDJ-LJQANCHMSA-N 378.384 4.508 5 1 GJBF C[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275340 CEJZJXKVIDNFDU-NSHDSACASA-N 390.428 4.554 5 1 GJBF Fc1ccc(-c2cnn(Cc3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)cc1 587165183 LYWKVAGZMMHNKC-UHFFFAOYSA-N 394.413 4.710 5 1 GJBF Fc1cc(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(F)c1F 587138018 BWAQATMKLFPYPO-UHFFFAOYSA-N 378.357 4.862 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccc([N+](=O)[O-])cc1)O2 587383867 HGAWLSPFIOVWDD-QFIPXVFZSA-N 392.386 4.534 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc([N+](=O)[O-])c2)N1 587701507 NOHWBHRCGNIGSH-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF CCN(CC)CCn1c2ccc(Cl)cc2c2sc3ncccc3c(=O)c21 1857570054 AQIFQWXYPUGNNI-UHFFFAOYSA-N 385.920 4.760 5 1 GJBF CC(C)=CCc1c2c(c3oc4c(O)cc(O)cc4c(=O)c3c1O)C=CC(C)(C)O2 43021468 OCHLEASELDOLFH-UHFFFAOYSA-N 394.423 4.756 5 1 GJBF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1cccc([N+](=O)[O-])c1)O2 587389499 LAMVWZUECGSZSJ-QHCPKHFHSA-N 388.423 4.589 5 1 GJBF CCCC(=O)Oc1ccc(COc2ccc3nc4ccc(=O)cc-4oc3c2)cc1 71340281 ZXYALKJYQTXQPR-UHFFFAOYSA-N 389.407 4.577 5 1 GJBF COc1ccc2c(=O)c3cc(C(=O)N[C@@H](C)c4ccc(C)cc4)ccc3oc2c1 95556396 MLJXJNPFRHEGRJ-HNNXBMFYSA-N 387.435 4.754 5 1 GJBF CC1(C)C=Cc2c(cc(O)c3c(=O)c4ccc5c(c4[nH]c23)OC(C)(C)C=C5)O1 238744143 CAGZUCKUDRONAO-UHFFFAOYSA-N 375.424 4.755 5 1 GJBF CC(C)c1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@+](C)([O-])[C@@H]1N2C 253651317 QHRLNUUKYIOMLK-RZPFDVGOSA-N 395.503 4.803 5 1 GJBF NC(=O)Oc1cc([N+](=O)[O-])ccc1CSCc1ccc(Cl)c(Cl)c1 26640626 NLMWXMODDAEQEQ-UHFFFAOYSA-N 387.244 4.793 5 1 GJBF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587035188 POZSCKOOPRNOTQ-HNNXBMFYSA-N 394.456 4.957 5 1 GJBF COc1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046606 XYPYZUVXNSQXNX-UHFFFAOYSA-N 393.802 4.974 5 1 GJBF COc1ccc(-c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2C)c(OC)c1 587930186 QSWBPPSXSPEQEB-UHFFFAOYSA-N 390.399 4.526 5 1 GJBF c1ccc(C[C@H]2N[C@H](c3nc4cc5nc6ccccc6nc5cc4[nH]3)CS2)cc1 587041322 MVQDLHSMGGEHAV-VXKWHMMOSA-N 397.507 4.606 5 1 GJBF FC(F)(F)CCc1ocnc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587092474 PLSAARBVZKNKNA-UHFFFAOYSA-N 383.333 4.809 5 1 GJBF Cc1c([N+](=O)[O-])cccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587748987 ZGUYVUBNDZNQDP-MLCYQJTMSA-N 393.256 4.603 5 1 GJBF COc1cccc(OCc2ccc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2)c1 587781362 UGFBUNOZLHIPSJ-UHFFFAOYSA-N 393.374 4.865 5 1 GJBF CC(C)=CCc1c(O)cc2oc3cc(O)c4c(c3c(=O)c2c1O)CCC(C)(C)O4 15252166 VEUQWGPUUYXBDE-UHFFFAOYSA-N 396.439 4.675 5 1 GJBF biogenic,in-vitro C[C@@H](OC(=O)c1ccc(F)cc1)c1cccc2nc3c(C(=O)O)cccc3nc12 29469405 QYEXVWMVCUVVII-GFCCVEGCSA-N 390.370 4.538 5 1 GJBF Cc1nc(-c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163648 MJQXHJANLIYSHZ-UHFFFAOYSA-N 395.488 4.782 5 1 GJBF c1ccc(C[C@@H]2N[C@H](c3nc4c5cccnc5c5ncccc5c4[nH]3)CS2)cc1 587042356 SPLAJUXWYXEYJU-ZWKOTPCHSA-N 397.507 4.606 5 1 GJBF CCc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCC[C@H]1[C@H]3O 66259904 HQLMQXGIZHMQJJ-GBXCKJPGSA-N 377.484 4.584 5 1 GJBF COc1cccc(CN(C(=O)OC2C[C@@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)c1 101152027 RLCOOYBGUNLNOM-SFTDATJTSA-N 395.523 4.608 5 1 GJBF Cc1c(Br)cnc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c12 587264535 HRPDIHCOIDSJBX-UHFFFAOYSA-N 399.204 4.864 5 1 GJBF Cc1cccc([N+](=O)[O-])c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587748547 XPFGXGJRAPWIPC-ADLMAVQZSA-N 393.256 4.603 5 1 GJBF Cc1c(F)ccc2c1[C@@](c1ccc(F)cc1)(c1ccc([N+](=O)[O-])cc1)NCC2 962297133 IJCIEQBDPOHGSJ-JOCHJYFZSA-N 380.394 4.619 5 1 GJBF CCOC(=O)c1c(C)nn(-c2ccc(C)cc2C)c1-c1ccc([N+](=O)[O-])cc1 1857771272 UZIWZWMPNUKTDC-UHFFFAOYSA-N 379.416 4.549 5 1 GJBF CCC(=O)NCCc1c(SC)c(OC)c2nccc3c4ccccc4[nH]c1c23 5138636 ATGZYGBQIFBZRA-UHFFFAOYSA-N 393.512 4.669 5 1 GJBF biogenic N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c3cccnc3c3ncccc3c2[nH]1 587174493 JVOPWFIVJQOTHY-KRWDZBQOSA-N 396.429 4.522 5 1 GJBF CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587579092 YHVPQMCNNYESHT-UGKGYDQZSA-N 391.379 4.566 5 1 GJBF CCCCNc1ncc(-c2ncc(CC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174035 PQDRDTGOKGSGKI-UHFFFAOYSA-N 383.477 4.950 5 1 GJBF CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccc([N+](=O)[O-])c2)s1 206865058 VJKAHYADQBLDBL-HXUWFJFHSA-N 393.468 4.985 5 1 GJBF CC(C)(C)NCCOc1ccc2c(=O)c3c(Cl)c(Cl)ccc3[nH]c2c1 1857567921 OOKMDDMDJRQPFK-UHFFFAOYSA-N 379.287 4.755 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ccc([N+](=O)[O-])cc13)(C1CCC1)O2 587388389 ARFCFNGWVRSLQS-JOCHJYFZSA-N 391.427 4.628 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2=O 587468191 BWZAMNIRCHJGRC-FPTDNZKUSA-N 383.444 4.856 5 1 GJBF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587150643 OCQOOTXFGMPAPI-SSDOTTSWSA-N 398.163 4.652 5 1 GJBF Cc1oc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)cc1[N+](=O)[O-] 587269714 ZMCXCWVLXAEIEM-UHFFFAOYSA-N 380.198 4.589 5 1 GJBF CC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587743514 AUMIRFHZEKYBHG-ZMZPIMSZSA-N 393.256 4.684 5 1 GJBF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587928219 YMWQLHUAAJUXKH-NSHDSACASA-N 375.812 4.684 5 1 GJBF Cc1ccc([C@@H]2[C@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)cc1 1772642996 UWBNRUSVJMEGBI-WMZHIEFXSA-N 384.439 4.911 5 1 GJBF CC(C)=CCC[C@@]1(C)C=Cc2c(cc3oc4c(O)ccc(O)c4c(=O)c3c2O)O1 13335025 UHEJIRYUKLACET-QHCPKHFHSA-N 394.423 4.974 5 1 GJBF biogenic Cc1nn(Cc2ccccc2-c2nc3cccc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] 587265582 QFRFFAHOYPMKAF-UHFFFAOYSA-N 381.823 4.653 5 1 GJBF O=C(c1cccs1)N(c1c2ccccc2c(=O)n2c1[nH]c1ccccc12)C1CC1 1857768259 HXJCBEAFJSMSAS-UHFFFAOYSA-N 399.475 4.805 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2)N1 587701509 NOHWBHRCGNIGSH-VPTHRUTESA-N 399.647 4.773 5 1 GJBF O=c1c2sccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1cccc(Cl)c1 1857614594 PSBOPPJWDGHYGQ-GQCTYLIASA-N 399.815 4.772 5 1 GJBF O=C(c1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])s1 40411647 JUHUVWFFHSAEHD-UHFFFAOYSA-N 375.409 4.740 5 1 GJBF Cc1cc([N+](=O)[O-])ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587748811 WPVNQOQCOOTOHE-ADLMAVQZSA-N 393.256 4.603 5 1 GJBF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1ccc([N+](=O)[O-])n1 587627897 LQSRDDQNSQBEPQ-UHFFFAOYSA-N 378.232 4.608 5 1 GJBF Cc1c(F)cccc1-c1cc(-c2nc3cccc(C(=O)O)c3[nH]2)cc([N+](=O)[O-])c1 587136901 PKTPZPDYIFKEEM-UHFFFAOYSA-N 391.358 4.951 5 1 GJBF Cc1cc(N(C)Cc2nc3cccc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])cc1F 587136708 JLTJVZZRUCLNGY-UHFFFAOYSA-N 382.317 4.574 5 1 GJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2)c1 587269400 BXIFXOWPNRTQMW-UHFFFAOYSA-N 385.305 4.614 5 1 GJBF COc1ccc(Cn2nc(OCc3ccccc3)c3cc([N+](=O)[O-])ccc32)cc1 1647168 UQBHBWVGTVDYOE-UHFFFAOYSA-N 389.411 4.580 5 1 GJBF CC(C)(C)C(=O)Oc1cc2c(s1)CC[N@@+]([O-])(Cc1ccccc1Cl)C2 257838199 JWKGWMSSNIFDDO-OAQYLSRUSA-N 379.909 4.924 5 1 GJBF investigational c1ccc(C[C@H]2N[C@@H](c3nc4cc5nc6ccccc6nc5cc4[nH]3)CS2)cc1 587041325 MVQDLHSMGGEHAV-YADHBBJMSA-N 397.507 4.606 5 1 GJBF COc1cc2c(=O)n(CC3CCCCC3)c3c4ccnc-4[nH]cc3c2cc1OC 1857654568 RSFALMGMTQBFJZ-UHFFFAOYSA-N 391.471 4.580 5 1 GJBF O=C1CS[C@H](c2cc3ccccc3nc2Cl)N1c1ccc([N+](=O)[O-])cc1 103168515 FHNGILCCXWPXTI-GOSISDBHSA-N 385.832 4.575 5 1 GJBF COc1ccc(-c2ccc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2)cc1OC 587929534 WEAYDUFOOLJZMU-UHFFFAOYSA-N 393.374 4.961 5 1 GJBF COC(=O)c1cccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12 587271864 JYNNLRMUPCBHLW-UHFFFAOYSA-N 389.367 4.717 5 1 GJBF CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)c3cc(C)cc(N)c3O2)o1 587391789 YYCMRPFGTKDAJY-JOCHJYFZSA-N 392.411 4.550 5 1 GJBF CC1=C(c2cccc([N+](=O)[O-])c2)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 103198908 XHVBSOWBSINWQG-UHFFFAOYSA-N 393.468 4.756 5 1 GJBF Cc1cc2[nH]c(COc3ccccc3C3SCCS3)nc2cc1[N+](=O)[O-] 587043907 OUDQYFUNNDVXJA-UHFFFAOYSA-N 387.486 4.837 5 1 GJBF COc1ccc2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)sc2c1 587033930 ADJVFBSQDZTJKD-UHFFFAOYSA-N 383.436 4.945 5 1 GJBF C[N+](C)(C)CCCNCc1ccc(-c2ccc(Cl)cc2Br)o1 1857538425 JYNFKAYQORLSFV-UHFFFAOYSA-N 386.741 4.548 5 1 GJBF C[C@@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)C=C(c2ccccc2F)NO1 587153910 BKTQQWXWOFYABN-QHCPKHFHSA-N 397.413 4.590 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC2=O 587464388 PJCNQJPGWRHMCP-KRWDZBQOSA-N 395.333 4.978 5 1 GJBF C[C@@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2cccc([N+](=O)[O-])c12 587644537 ZKUNDNZKOOVXKC-SECBINFHSA-N 389.205 4.694 5 1 GJBF COc1cccc([C@H](C)Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587931065 LVGASMZIDVQCCY-SNVBAGLBSA-N 390.237 4.588 5 1 GJBF CN1CCCN(c2c3cc(Cl)ccc3nc3c2c2ccccc2n3C)CC1 84687223 BMOVADJLKMAVPB-UHFFFAOYSA-N 378.907 4.675 5 1 GJBF CCOc1cc2c3c(c4ccc(O)cc4c2cc1OCC)[C@H](O)[C@@H]1CCCN1C3 66259525 QPVURBGIVVOVFI-GBXCKJPGSA-N 393.483 4.507 5 1 GJBF N=c1ccc2c3ccc(N)cc3c(-c3ccccc3)n(CCCCCC(N)=O)c-2c1 377841296 FAUXBCCFVOVSMS-UHFFFAOYSA-N 398.510 4.520 5 1 GJBF Cc1nc(Br)sc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587010627 FNXBYDXSVNVTOI-UHFFFAOYSA-N 396.273 4.854 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(CSc1ccccc1[N+](=O)[O-])CC2=O 587491775 NFORVPYFBNAYBB-HXUWFJFHSA-N 387.457 4.769 5 1 GJBF O=[N+]([O-])c1cncc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587015874 WFHOOEPPJKWDGE-UHFFFAOYSA-N 392.227 4.963 5 1 GJBF Cc1cccc([N+](=O)[O-])c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587748553 XPFGXGJRAPWIPC-ZMZPIMSZSA-N 393.256 4.603 5 1 GJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccc1[N+](=O)[O-] 587859009 ATDKUBYKGSPNJQ-UHFFFAOYSA-N 379.203 4.548 5 1 GJBF O=C(Nc1cc([N+](=O)[O-])c(C=Cc2ccccc2)cc1C(=O)O)c1ccccc1 2356815280 ACPPMSIYMNLOFM-UHFFFAOYSA-N 388.379 4.716 5 1 GJBF O=[N+]([O-])c1cccc(NCc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)c1 7115958 SFQVHBJWVVSXHK-UHFFFAOYSA-N 378.388 4.727 5 1 GJBF Cc1cc2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc2cc1[N+](=O)[O-] 587163159 LJXVLZVDZAAABH-UHFFFAOYSA-N 375.359 4.817 5 1 GJBF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CC2=O 587473413 UGVPEQBQWLCDAV-WAIKUNEKSA-N 395.455 5.000 5 1 GJBF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc([N+](=O)[O-])cc1Cl 587657234 RTNRMNMEILZFBP-UHFFFAOYSA-N 395.777 4.753 5 1 GJBF O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1cc(Cl)c(Cl)cc1Cl 45353648 FHOJEVTYLXBDEJ-UHFFFAOYSA-N 376.583 4.905 5 1 GJBF COc1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261110 UJXMLVDFDJYIOU-UHFFFAOYSA-N 391.383 4.948 5 1 GJBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587274935 XEKWYZXLJDPPAU-CYBMUJFWSA-N 379.445 4.623 5 1 GJBF C[C@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339473 UFUHYHUDSYZZOH-RBBKRZOGSA-N 393.370 4.714 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cccc([N+](=O)[O-])c1)CC2=O 587473354 SKLHYTWBOVWKJE-OAQYLSRUSA-N 392.411 4.750 5 1 GJBF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587938662 YJIQGHVMOPGDBK-DMZKTXOQSA-N 384.439 4.505 5 1 GJBF COc1cc2c(c3ccc4cc(O)ccc4c13)[C@@]1(CCc3cc(O)ccc31)C(=O)O2 13378516 BQMXXGSXHXSQHS-VWLOTQADSA-N 398.414 4.564 5 1 GJBF biogenic,in-vitro CC(C)(Oc1ccc(Br)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586995853 JUNVBQDOEKVAQT-UHFFFAOYSA-N 376.210 4.548 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587080018 JWWHYCSSHYIDGT-ZDUSSCGKSA-N 394.612 4.563 5 1 GJBF CCOC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646612 XNYRESDZVMTKRY-UHFFFAOYSA-N 378.306 4.939 5 1 GJBF Cc1c(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980178 PPLWCFSSVFCNAF-UHFFFAOYSA-N 386.127 4.626 5 1 GJBF C[C@@]1(COCc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772623665 OFFDABWSQNAUDL-FQEVSTJZSA-N 397.456 4.665 5 1 GJBF CCN(CC)c1ccc(NC(=O)c2c(-c3cccc([N+](=O)[O-])c3)noc2C)cc1 1857535681 OAAUAVKUYWNZAY-UHFFFAOYSA-N 394.431 4.657 5 1 GJBF OC[C@@H](NCc1ccc2ccc3cccc4ccc1c2c34)[C@@H](O)c1ccccc1 26400213 NRAYOGRHPDEHKT-BVAGGSTKSA-N 381.475 4.768 5 1 GJBF COc1ccc(-c2ccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c(O)c2)cc1OC 587927623 UEHFXUGHWISENO-UHFFFAOYSA-N 391.383 4.528 5 1 GJBF CCN(CC)Cc1cc(Cl)cc2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)oc12 103170041 BAJYDNZONFHHQF-UHFFFAOYSA-N 386.835 4.863 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 587131119 YJGPIJXUUHFORU-UHFFFAOYSA-N 384.136 4.502 5 1 GJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@]1(C)CCCN1C3 14514408 MEDVIHNIGHWCNB-XMMPIXPASA-N 377.484 4.929 5 1 GJBF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c3ccccc3cc3cccc1c23 587406005 CGOOJQOMLCTRMP-RUZDIDTESA-N 379.415 4.941 5 1 GJBF O=[N+]([O-])c1cc(Br)ccc1C[C@@H](O)c1ccc(-c2ccncc2)cc1 1857755660 HJSYXEXCWPMCRT-LJQANCHMSA-N 399.244 4.695 5 1 GJBF O=[N+]([O-])c1cccc([C@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1 19329021 IFTOJBGVZHGMAL-WWNPGLIZSA-N 388.471 4.542 5 1 GJBF O=C1CS[C@H](c2cc3ccccc3nc2Cl)N1c1ccccc1[N+](=O)[O-] 103194979 KEELBRCNCWEOAL-GOSISDBHSA-N 385.832 4.575 5 1 GJBF COc1cc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2cc1OC 587272421 SCRIQOQQZHPYKR-UHFFFAOYSA-N 391.383 4.948 5 1 GJBF Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 101152325 LCFLTSGKHHHXPL-PMOLBWCYSA-N 385.553 4.970 5 1 GJBF CC[C@@H](Oc1ccccc1F)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587155958 PGSIAWJFVVHUNL-GFCCVEGCSA-N 394.200 4.903 5 1 GJBF COc1ccc(/C=C\Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c(OC)c1 587928678 HBUOZYUPIBXJDC-WAYWQWQTSA-N 396.450 4.932 5 1 GJBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc([N+](=O)[O-])ccc1CC3 586986996 ITEIRRCHCQIXKY-UHFFFAOYSA-N 394.386 4.826 5 1 GJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 587691134 CGJKOOMWMIIVPT-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2)N1 587701511 NOHWBHRCGNIGSH-ZKANADHPSA-N 399.647 4.773 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c3ccc([N+](=O)[O-])cc13)CC2=O 587472081 XSTAWDILIGNRHR-LJQANCHMSA-N 380.400 4.749 5 1 GJBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc([N+](=O)[O-])ccc1C3 586988045 WQLVNDIJEVQLCC-UHFFFAOYSA-N 380.359 4.631 5 1 GJBF C[C@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275339 CEJZJXKVIDNFDU-LLVKDONJSA-N 390.428 4.554 5 1 GJBF COc1ccc(OC)c(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)c1 587645316 PKIFLYNIVZYNMR-UHFFFAOYSA-N 394.305 4.505 5 1 GJBF COc1cc(-c2ccc3c(c2)N(C)c2ccccc2NC3=O)ccc1[N+](=O)[O-] 87612944 IUSZUHKGTHULLI-UHFFFAOYSA-N 375.384 4.604 5 1 GJBF CCOC(=O)C1=C(C)NC(c2ccc(Cl)cc2)=C[C@H]1c1ccccc1[N+](=O)[O-] 169348112 GGALZRHFGYBGFJ-KRWDZBQOSA-N 398.846 4.813 5 1 GJBF O=C(c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133636 XCJIKJAPYQNNSF-UHFFFAOYSA-N 388.569 4.801 5 1 GJBF COc1cccc(N(C)C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 653785970 BGGQKEKHESBIEL-UHFFFAOYSA-N 378.384 4.672 5 1 GJBF CN1CCN(C(=O)c2ccc3c(Oc4ccccc4)c4ccccc4nc3c2)CC1 28570685 JMOBFLKKWWBILF-UHFFFAOYSA-N 397.478 4.568 5 1 GJBF CO[C@@](C(=O)c1coc2cc([N+](=O)[O-])ccc12)(c1ccccc1)C(F)(F)F 587280062 HYIGYUZEBAPWHX-QGZVFWFLSA-N 379.290 4.628 5 1 GJBF CCCc1c(O)ccc2c1O[C@](C)(c1cc([N+](=O)[O-])c(Cl)s1)CC2=O 587493052 QCZBTDDQPXMHLC-KRWDZBQOSA-N 381.837 4.848 5 1 GJBF c1coc(-c2nc(Cc3nc4cc5nc6ccccc6nc5cc4[nH]3)cs2)c1 587016712 CBZLQQATFZXVSA-UHFFFAOYSA-N 383.436 4.967 5 1 GJBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(CCO)cc3[nH]2)cc([N+](=O)[O-])c1 587135495 DINDQXKZRUGHAE-UHFFFAOYSA-N 391.402 4.787 5 1 GJBF Nc1c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)sc2cc(Br)ccc12 587031954 QWVROAVZKLZLCP-UHFFFAOYSA-N 389.234 4.698 5 1 GJBF O=[N+]([O-])c1ccc(OCc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1F 587148119 AWABXMOBYZRMBW-UHFFFAOYSA-N 393.374 4.768 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 587697205 MZVVUKPLKQZYOV-ZKANADHPSA-N 399.647 4.773 5 1 GJBF Cc1nc(COc2cccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)cs1 587020551 VAEYQJFXMCSNCO-UHFFFAOYSA-N 384.392 4.621 5 1 GJBF COc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Cl 587109699 MFGQCLYVFCMULB-UHFFFAOYSA-N 385.729 4.743 5 1 GJBF CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587579090 YHVPQMCNNYESHT-KNQAVFIVSA-N 391.379 4.566 5 1 GJBF CO[C@H](C)COC1CCC(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 587952045 LLHFKZXKGUQGRY-QQFBHYJXSA-N 390.487 4.737 5 1 GJBF CCc1ccc2cc(-c3ccc(I)c([N+](=O)[O-])c3)cn2c1 68584418 MKKGASGIWLXGOB-UHFFFAOYSA-N 392.196 4.682 5 1 GJBF biogenic O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1[N+](=O)[O-] 587050505 PEYCIXYHXHLXOV-JGVFFNPUSA-N 393.186 4.957 5 1 GJBF O=[N+]([O-])c1ccc2c(CCCC3OCCO3)c(Cc3ccc(F)cc3)[nH]c2c1 587645803 KTLOKIPKADHHKJ-UHFFFAOYSA-N 384.407 4.502 5 1 GJBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587267945 JNGKFTMLCSNANN-UHFFFAOYSA-N 387.749 4.512 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N1 587754390 YIQNBAFHLFJRDP-MTNBJQBKSA-N 391.240 4.785 5 1 GJBF O=C(c1ccc(Cl)cc1)n1c(-c2ccccc2[N+](=O)[O-])nc2ccccc21 40866924 OLWZFVUZXKKKJU-UHFFFAOYSA-N 377.787 4.953 5 1 GJBF O=c1cc(N2CCN(c3cccc(Cl)c3)CC2)c2ccc3ccccc3c2o1 1857610114 PWRSPDMMGWMASJ-UHFFFAOYSA-N 390.870 4.926 5 1 GJBF Cn1c2c3cc(F)ccc3nc-2c(I)c2ccccc21 147797083 FAGRQVDCCMFXQW-UHFFFAOYSA-N 376.172 4.575 5 1 GJBF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587070950 UMSUDKVXYHQSCB-CQSZACIVSA-N 387.874 4.598 5 1 GJBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C)cc4[N+](=O)[O-])o1)[C@@H](C2)C3=O 587431951 IJSBWMWRDRJCNL-OYHNWAKOSA-N 391.379 4.661 5 1 GJBF O=c1cc(N2CCN(c3ccc(Cl)cc3)CC2)c2ccc3ccccc3c2o1 1857540908 HHWYCBUVLFJTEE-UHFFFAOYSA-N 390.870 4.926 5 1 GJBF CCN(CC)CCCCCNc1ccc2ncn3c4ccc(C)cc4c(=O)c1c23 103222439 PJYSDPJTCGHBEH-UHFFFAOYSA-N 390.531 4.671 5 1 GJBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc12 473171816 VZBUNQNZGCGVOO-UHFFFAOYSA-N 397.239 4.856 5 1 GJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)c1 587269378 BPFGUOZXYUUJIJ-UHFFFAOYSA-N 388.280 4.757 5 1 GJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)s1)O2 587410751 PAPVBNKYFOMVPQ-KRWDZBQOSA-N 380.425 4.920 5 1 GJBF O=[N+]([O-])c1ccccc1COc1cc(Br)cc(Br)c1 1772627969 VKHSCHBRZWZVEQ-UHFFFAOYSA-N 387.027 4.699 5 1 GJBF CC(C)CSC[C@@](C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820559 NAHZSJCKKNNQMX-OAHLLOKOSA-N 376.400 4.692 5 1 GJBF COc1cccc2c1CCC[C@H]2CCCN1CC[N+](C)(C2CCCCC2)CC1 45287109 ZPUXWCCJGUMGJU-NRFANRHFSA-N 385.616 4.990 5 1 GJBF O=c1oc2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2c2ccccc12 299858002 FZKKWVZTVXGUGM-UHFFFAOYSA-N 391.408 4.663 5 1 GJBF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587112941 IOAMRENJUPYEPO-SECBINFHSA-N 394.309 4.744 5 1 GJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 587697201 MZVVUKPLKQZYOV-PWJLMRLQSA-N 399.647 4.773 5 1 GJBF Cc1cc2[nH]c(COc3ccc(Cl)cc3Br)nc2cc1[N+](=O)[O-] 586975858 KPCOVTFBNGAXLL-UHFFFAOYSA-N 396.628 4.774 5 1 GJBF O=[N+]([O-])c1ccc(-c2c3c(nc4nc(N5CCCC5)sc24)CCCC3)cc1 1857600210 CYPGSHIGYVLCAE-UHFFFAOYSA-N 380.473 4.746 5 1 GJBF CCCN1CCC(COc2nc3ccccc3c3ccc([N+](=O)[O-])cc23)CC1 95579932 KBHQBSZLMFREBP-UHFFFAOYSA-N 379.460 4.797 5 1 GJBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccsc1)c1ccsc1)C2 101152083 LMDNOMYZUIYOBM-IAGOWNOFSA-N 377.555 4.723 5 1 GJBF O=[N+]([O-])c1cccc(CNC2CCN(Cc3ccc4ccccc4c3)CC2)c1 45226689 IZTLTCDRIQVHLP-UHFFFAOYSA-N 375.472 4.502 5 1 GJBF Cc1nc(Br)sc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587010963 KIJLPHBBEKIYIS-UHFFFAOYSA-N 396.273 4.854 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2[N+](=O)[O-])N1 587696300 SWFBDDSXWSQGAY-VPTHRUTESA-N 399.647 4.773 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccccc2[N+](=O)[O-])N1 587746847 LKXQNAOBDKPMGG-HDKSMCJESA-N 391.240 4.785 5 1 GJBF COc1cc(O)cc(-c2cccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)c1 587932064 KDFNLKLELFJMKT-UHFFFAOYSA-N 379.347 4.658 5 1 GJBF COc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cc1OC 586968711 HYCCEUOGARXVQX-UHFFFAOYSA-N 387.461 4.903 5 1 GJBF CCN(CC)c1ccc(NC(=O)c2c(-c3ccc([N+](=O)[O-])cc3)noc2C)cc1 1857535359 ZITFNHXKOHAVKE-UHFFFAOYSA-N 394.431 4.657 5 1 GJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)cc1 587271485 CPQXHZIJEIHRCX-UHFFFAOYSA-N 376.328 4.839 5 1 GJBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCCC1)CC2=O 587472566 JYVFLNAOVQMGOA-OAQYLSRUSA-N 396.443 4.560 5 1 GJBF Cc1ccc([N+](=O)[O-])c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587746794 LHGAAAIFZVSHMO-ADLMAVQZSA-N 393.256 4.603 5 1 GJBF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587169159 UUURQCYPSHXHIG-MRVPVSSYSA-N 380.173 4.513 5 1 GJBF O=C(/C=C/c1ccc(F)cc1)N(Cc1ccco1)Cc1cc(F)ccc1[N+](=O)[O-] 1911573150 YUDMINLWCYBJCT-BJMVGYQFSA-N 398.365 4.708 5 1 GJBF COc1c(C)c([C@H]2CC(=CC(C)=Cc3ccc([N+](=O)[O-])cc3)CO2)oc(=O)c1C 2356815236 LKHKXHOLATYTGS-LJQANCHMSA-N 397.427 4.665 5 1 GJBF CCCc1c(O)ccc2c1O[C@H](C(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1)CC2=O 587472301 FXALHMGYDQLDOX-NQIIRXRSSA-N 397.471 4.765 5 1 GJBF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746409 JVGLKGMTVIIQEM-ADLMAVQZSA-N 393.256 4.603 5 1 GJBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cl)cc1[N+](=O)[O-] 587867733 CVWNXYHKDDAQGZ-UHFFFAOYSA-N 398.728 4.523 5 1 GJBF COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1OC)C[C@]1(C)CCCN1C3 14593900 RQYAMGQPSTUKBA-DEOSSOPVSA-N 393.483 4.635 5 1 GJBF biogenic C[C@H](OC(=O)c1ccccc1F)c1cccc2nc3c(C(=O)O)cccc3nc12 29466185 GBMRNUMRNQLJJN-LBPRGKRZSA-N 390.370 4.538 5 1 GJBF O=c1[nH]ccc2nc(Nc3c(F)cc(F)cc3Cl)c3ccc(F)cc3c12 64560253 GYPCUVVRSOIEEF-UHFFFAOYSA-N 375.737 4.891 5 1 GJBF Cc1c(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980442 ZKSDPNRCDJJHMG-UHFFFAOYSA-N 389.253 4.902 5 1 GJBF COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 587048290 RZHGPTXDZFDQEA-HWKANZROSA-N 392.198 4.735 5 1 GJBF Cc1cc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145397 VQMBHYAUPHBVAK-UHFFFAOYSA-N 391.358 4.951 5 1 GJBF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587431781 GMMMWPUTNDZNMW-CVDCTZTESA-N 387.391 4.759 5 1 GJBF CC1(C)C[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2O1 35983464 VGYSEYVWIATBOW-OAHLLOKOSA-N 391.880 4.837 5 1 GJBF CN(C)CCCN1C(=O)c2cccc3c2c(cc2c4ccccc4sc32)C1=O 95586125 SKJAKCSTJITNQG-UHFFFAOYSA-N 388.492 4.755 5 1 GJBF O=c1c(-c2ccc([N+](=O)[O-])cc2)coc2cc(OCc3ccccc3)cc(O)c12 96177634 JLYZEAADHQUATL-UHFFFAOYSA-N 389.363 4.653 5 1 GJBF CC(C)(C)C(=O)Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cn1 587245549 VTGMMPAOCJYTFA-UHFFFAOYSA-N 396.454 4.706 5 1 GJBF NCCCc1cc2c(-c3ccccc3)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12 28955988 PQDWNGOOFMPAIO-UHFFFAOYSA-N 394.478 4.630 5 1 GJBF Cc1cc(C)n(C(=O)n2c(=O)c3ccccc3c3c4cc(Cl)ccc4[nH]c32)n1 98081997 XJMBFDZPUQZUSP-UHFFFAOYSA-N 390.830 4.619 5 1 GJBF COc1cc(OCc2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] 587263692 YWVIXLGGYPBDAO-UHFFFAOYSA-N 399.350 4.671 5 1 GJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 587692684 LHNDRXZGEOMBIV-VPTHRUTESA-N 399.647 4.773 5 1 GJBF Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)s1 101152346 NAXYIWZRBXAQKX-ACDBMABISA-N 385.553 4.970 5 1 GJBF Cc1ccc2c(ccc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c32)n1 587109374 IMBWVYLHAITNEC-UHFFFAOYSA-N 386.333 4.937 5 1 GJBF Cc1ccc([N+](=O)[O-])c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587747621 PAZMBQYGUSULBU-VOJFVSQTSA-N 393.256 4.603 5 1 GJBF CC1(C)CCc2cc3c(=O)c4ccccc4oc3c(OCCCCCO)c2O1 1857744394 KNLJDPWSTQRAGI-UHFFFAOYSA-N 382.456 4.591 5 1 GJBF CO[C@@H](C)COC1CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 587952299 OJCCCLVIBOYSOT-FHERZECASA-N 390.487 4.737 5 1 GJBF COc1ccc2c(ccc3[nH]c4c(C)cnc(NC[C@@H](C)CN(C)C)c4c32)c1 29320533 FHNWOLTYICQEOT-CQSZACIVSA-N 376.504 4.796 5 1 GJBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587151799 IVHGCDNBAWDLEO-BDAKNGLRSA-N 394.175 4.783 5 1 GJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)c1 587269963 KDDIGNXJFIAHPP-UHFFFAOYSA-N 386.198 4.902 5 1 GJBF Cn1cccc1CN1CCc2sccc2[C@H]1c1cccc([N+](=O)[O-])c1Cl 962373487 MPDICWQNKMGZHL-IBGZPJMESA-N 387.892 4.796 5 1 GJBF CN(C)CCN1C(=O)c2cccc3cc4ccc(-c5ccccc5)cc4c(c23)C1=O 27555763 XGWPTXVPIVRWBR-UHFFFAOYSA-N 394.474 4.818 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([N+](=O)[O-])cc1Cl)CC2=O 587462210 NPXVFVUIDYWDNG-LJQANCHMSA-N 375.808 4.787 5 1 GJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2Cl)N1 587691495 BQMWIBDMQXDPSA-VPTHRUTESA-N 399.647 4.773 5 1 GJBF COC(=O)[C@@H](c1ccc(OC)c(OC)c1)c1c2ccccc2nc2ccccc12 26820001 WBBHMOSIDJLELA-QFIPXVFZSA-N 387.435 4.710 5 1 GJBF O=[N+]([O-])c1cc(Br)cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587080016 JWWHYCSSHYIDGT-CYBMUJFWSA-N 394.612 4.563 5 1 GJBF O=[N+]([O-])c1ccc([C@H]2CCCc3c2nc2cccc4c2c3CC4)c([N+](=O)[O-])c1 587210528 DCHWJQJNTCXGTB-MRXNPFEDSA-N 375.384 4.618 5 1 GJBF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2=O 587468193 BWZAMNIRCHJGRC-JLCFBVMHSA-N 383.444 4.856 5 1 GJBF O=C(O)Cc1ccccc1Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] 26402635 SQISUUUUERFDJY-UHFFFAOYSA-N 376.579 4.974 5 1 GJBF COc1ccc2c(ccc3[nH]c4c(C)cnc(NC[C@H](C)CN(C)C)c4c32)c1 29320537 FHNWOLTYICQEOT-AWEZNQCLSA-N 376.504 4.796 5 1 GJBF O=C(Nc1c(-c2ccccc2)cnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 13704488 UCQCMSNDKYLLFD-UHFFFAOYSA-N 384.395 4.700 5 1 GJBF in-vitro Fc1cc(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc(F)c1F 587138002 BCDQJBGZCMIOKN-UHFFFAOYSA-N 378.357 4.862 5 1 GJBF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cn1 587244813 LCVMNKCLCVTIGZ-UHFFFAOYSA-N 396.454 4.706 5 1 GJBF 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