smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)nn1CC(F)(F)F 587091083 AKGLTBHYBHXJHQ-UHFFFAOYSA-N 434.338 2.956 5 1 IFBF COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC 3986637 FLEAYYMORDPWAJ-UHFFFAOYSA-N 440.416 2.997 5 1 IFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(I)cnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263890 OTRBMBPCDZDFDE-GJMOJQLCSA-N 448.648 2.876 5 1 IFBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3nc(Br)c[nH]c-3n2)CC1 587269829 PLLARKKJYJWPML-UHFFFAOYSA-N 431.250 2.995 5 1 IFBF COC(=O)c1cc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2cc1OC 587267166 VCFGEOHJGXWTDN-HUTHGQBESA-N 445.388 2.709 5 1 IFBF Cc1c(Br)cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1C 587271812 HRNOPCAOSWAFJT-HOTGVXAUSA-N 449.261 2.883 5 1 IFBF CC1=C(C(=O)OCCO[N+](=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)OC(C)C)=C(C)N1 31861376 UUVQSTXXCLOSJD-GOSISDBHSA-N 449.416 2.533 5 1 IFBF O=C(CCSc1nnc(Cn2nnc3ccccc32)o1)Nc1ccc([N+](=O)[O-])cc1 103207064 AAIJKDFCAWOOSW-UHFFFAOYSA-N 425.430 2.892 5 1 IFBF O=S(=O)(O)Oc1cc2c(cc1O)c1c3[nH]c4ccccc4c3ccc1n2S(=O)(=O)O 13359359 GWVLIJHUMCEDSD-UHFFFAOYSA-N 448.434 2.967 5 1 IFBF biogenic CN(C)c1cccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 40394351 IFUHJQQTVGZDOT-BPNKPRMTSA-N 426.425 2.579 5 1 IFBF CN(CC(=O)NCc1ccccc1N)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085608 VOPKUGPBVNSDRN-UHFFFAOYSA-N 425.470 2.689 5 1 IFBF CSc1ccc(S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1[N+](=O)[O-] 586942177 SNYMWCIGUPLQMW-UHFFFAOYSA-N 447.498 2.556 5 1 IFBF Cc1ccccc1NC(=S)NC(=O)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O 103288186 PYGYEACARJNEBK-UHFFFAOYSA-N 448.504 2.683 5 1 IFBF CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 586946772 PHGNEWNUJFRQKQ-UHFFFAOYSA-N 439.291 2.927 5 1 IFBF O=C(NC[C@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775465 DOFMONYPKZTHEB-NSHDSACASA-N 435.795 2.792 5 1 IFBF CC1=NC(C)=C(C(=O)NCCCN2CCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(N)=O 169715723 WCRVPBFEPZVSRH-FPOVZHCZSA-N 441.532 2.521 5 1 IFBF O=[N+]([O-])c1ccc(Cc2nc3cc(I)cnc3[nH]2)c([N+](=O)[O-])c1 587265557 WEOYZQBCFPKZDA-UHFFFAOYSA-N 425.142 2.970 5 1 IFBF COc1nn([C@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1[N+](=O)[O-] 587868749 RZDJFRJSRFXTBR-SECBINFHSA-N 440.338 2.987 5 1 IFBF COC(=O)c1cc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2cc1OC 587267170 VCFGEOHJGXWTDN-VVVCHXIZSA-N 445.388 2.709 5 1 IFBF CN(C)CCc1c[nH]c2ccc(CCN3C(=O)N[C@@H](Cc4ccc([N+](=O)[O-])cc4)C3=O)cc12 13603550 QFIKIRICTKBUCC-QFIPXVFZSA-N 449.511 2.886 5 1 IFBF CC1=C(C(=O)OCCO[N+](=O)[O-])[C@H](c2ccccc2[N+](=O)[O-])C(C(=O)OC(C)C)=C(C)N1 31861374 UUVQSTXXCLOSJD-SFHVURJKSA-N 449.416 2.533 5 1 IFBF COc1ccc(NC(=O)Cc2cs/c(=N\c3ccc([N+](=O)[O-])cc3)n2CCO)cc1 29124637 ICVPEUWMWVLIAP-XDOYNYLZSA-N 428.470 2.872 5 1 IFBF CC(=O)NCCNc1ncc(C(=O)NCc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1 82135892 RWRCTRKAWWOEDZ-UHFFFAOYSA-N 434.456 2.530 5 1 IFBF CCOC(=O)C1=C(C)NC(/C=C\C(=O)OC)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 102027230 NFZXRMVDNPOQBF-OEIFXAAASA-N 444.440 2.665 5 1 IFBF CN(CCCOc1ccccc1[N+](=O)[O-])C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 1857587735 GDLIIHARZBJHOV-NRFANRHFSA-N 447.442 2.753 5 1 IFBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(I)cnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263891 OTRBMBPCDZDFDE-PRJMDXOYSA-N 448.648 2.876 5 1 IFBF CC(C)c1nn(C)c2c1[C@@H](c1cc(I)c(O)c([N+](=O)[O-])c1)NCC2 962907833 JFMUYEWXBNRRQO-OAHLLOKOSA-N 442.257 2.997 5 1 IFBF Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)sc1C(=O)N(CC(=O)O)Cc1ccccn1 40934111 AOZIZMYOKQAZLU-UHFFFAOYSA-N 427.442 2.731 5 1 IFBF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586960456 XILIQJZRILWTGX-OAHLLOKOSA-N 441.263 2.703 5 1 IFBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCO 4152626 YPURXFRMLXATIF-HKUYNNGSSA-N 433.848 2.847 5 1 IFBF COC(=O)C(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618167 BPTBVAJPSRJOGZ-PSLXWICFSA-N 442.468 2.864 5 1 IFBF O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(S(=O)(=O)Nc2nccnc2O)cc1 169324307 WHPGQSMARDUDDD-XVNBXDOJSA-N 447.454 2.605 5 1 IFBF COc1c(OC)c2c(c([N+](=O)[O-])c1OC)CC[C@H](NC(C)=O)c1cc(=O)c(OC)ccc1-2 73274390 XVNXPKLBHNUUKY-HNNXBMFYSA-N 444.440 2.780 5 1 IFBF CCOC(=O)C1=C(/C=C/C(=O)OC)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 169723455 LNWOHNLEVXIMLN-MIMFYIINSA-N 444.440 2.879 5 1 IFBF O=C(Cc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 73199220 QQTGNTGVNBTXSA-HNNXBMFYSA-N 447.373 2.992 5 1 IFBF CCn1c(Cn2nc(Cc3ccc([N+](=O)[O-])cc3)c3onc(C)c3c2=O)n[nH]c1=S 84636121 AORKCBGQZSCTGG-UHFFFAOYSA-N 427.446 2.514 5 1 IFBF C=c1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)/c1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 33399467 QZBUMRNGAHPCMI-UNOMPAQXSA-N 445.431 2.888 5 1 IFBF CCOC(=O)C1=C(COC(C)=O)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 78821574 HNTQQWTUQMNSBI-ROUUACIJSA-N 432.429 2.713 5 1 IFBF Cc1cc(Br)cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587271715 GIYOADKIOPODNX-GJZGRUSLSA-N 435.234 2.575 5 1 IFBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1ccccc1[N+](=O)[O-] 169712729 QSLSXLZMKAFQHT-MSOLQXFVSA-N 426.429 2.656 5 1 IFBF COc1ccc(OC)c(C(=O)N[C@H](CC(N)=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)c1 15936249 SKXXSNJOVAQJRV-QGZVFWFLSA-N 430.461 2.779 5 3 IFBF O=C(O)CSC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc([N+](=O)[O-])c1 1857652347 DLIDHJJUZVDTOF-KRWDZBQOSA-N 427.438 2.762 5 1 IFBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C[C@@H](O)[C@@H](O)CC3 43020857 UVJFVMZVICCYGP-DLBZAZTESA-N 425.444 2.912 5 1 IFBF NCCOC(=O)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 82081765 XIXCYMKJUDXOTF-UHFFFAOYSA-N 426.454 2.764 5 1 IFBF COc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1OC 587263146 NIMWPUQGSAFYIZ-UHFFFAOYSA-N 425.445 2.971 5 1 IFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587266424 XDHUNVGKBSAYHK-JTQLQIEISA-N 430.364 2.713 5 1 IFBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cn3cncn3)c2c1 587621595 XYOBTOIGVZPUHV-UHFFFAOYSA-N 442.457 2.834 5 1 IFBF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@]3(C(=O)Nc4cc(F)c([N+](=O)[O-])cc43)N12 962674657 VTDYHRWUZVVILF-VXKWHMMOSA-N 436.399 2.576 5 1 IFBF CCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1 3827291 DWWLEJVEBYDPHM-QHCPKHFHSA-N 449.419 2.949 5 1 IFBF COc1cc2c(=O)n([C@@H](C)CN(C)C)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 13649120 IAZKLGONZZCWLY-LBPRGKRZSA-N 436.468 2.966 5 1 IFBF COc1ccc(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NC(C)C)n2)cc1[N+](=O)[O-] 82192141 SNBPFQCVSJIDCY-AWEZNQCLSA-N 430.490 2.998 5 1 IFBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@@H](C)C(=O)O)[C@@H](C2)C3=O 587433102 NPQQPUAQYFTARB-GDZFADEHSA-N 429.381 2.953 5 1 IFBF COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049657 GYIFHEOOKGLGLF-FPOVZHCZSA-N 443.456 2.857 5 1 IFBF CN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4ccccc4C(N)=O)n3)cc2)CC1 64531848 QXIJIASEWBOLFV-UHFFFAOYSA-N 448.487 2.723 5 1 IFBF O=C(O)c1cn(C2CC2)c2nc(N3CCC(N4CCCCC4)CC3)c([N+](=O)[O-])cc2c1=O 28868023 CLWLEYHKWKNXKB-UHFFFAOYSA-N 441.488 2.793 5 1 IFBF CCCCNc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149166 QPIPPXDDLIXKQT-UHFFFAOYSA-N 426.477 2.568 5 1 IFBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 13294357 BFPYQVDFBXTHFO-ROUUACIJSA-N 426.429 2.656 5 1 IFBF O=c1c2ccccc2oc2cc(OC[C@@H](O)CN3CCN(c4ccccn4)CC3)ccc12 1857537537 WGRQNOXKFSRPCY-SFHVURJKSA-N 431.492 2.903 5 1 IFBF COc1cc(-n2cc(-c3ccc(OC)c([N+](=O)[O-])c3[N+](=O)[O-])nn2)cc(OC)c1OC 82150719 CUQKZXPLEQDWAW-UHFFFAOYSA-N 431.361 2.785 5 1 IFBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ncnn3C)c(C)c2c1 587620724 FYCBNKOZKKKAPM-UHFFFAOYSA-N 442.457 2.989 5 1 IFBF CSc1ccc(S(=O)(=O)NCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1[N+](=O)[O-] 586940575 AKXWEPBUOPCNAJ-UHFFFAOYSA-N 440.434 2.509 5 1 IFBF O=C(O)c1nn(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1I 587185052 ITABMQGNYGKCMS-UHFFFAOYSA-N 447.576 2.672 5 1 IFBF Cc1c(Br)cnc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 587269597 FWWKFPPNEKSCNP-ZDUSSCGKSA-N 433.266 2.836 5 1 IFBF COc1ccc(NS(=O)(=O)c2ccc3nc(Cn4c([N+](=O)[O-])cnc4C)[nH]c3c2)cc1 587272818 ASVFIGQXRHAAHI-UHFFFAOYSA-N 442.457 2.834 5 1 IFBF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 767334 QBFYCQGCPBSCLE-QUCCMNQESA-N 441.440 2.550 5 1 IFBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@H](C(=O)OC)[C@H]1c1ccccc1[N+](=O)[O-] 169712732 QSLSXLZMKAFQHT-ZWKOTPCHSA-N 426.429 2.656 5 1 IFBF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)cc21 103176536 VLXKZORCAACQQK-UHFFFAOYSA-N 444.419 2.682 5 1 IFBF CCOC(=O)C1=C(/C=C/C(=O)OC)N=C(C)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 169723457 LNWOHNLEVXIMLN-VIBWXPCQSA-N 444.440 2.879 5 1 IFBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1O[C@H]3C[C@H](O)[C@H]1O 2356566129 BBQNBDLDLWPSAP-ZIMLKICNSA-N 439.427 2.939 5 1 IFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccn(-c3ccc(OC(F)(F)F)cc3)n1)C2 45245472 WOUNGOPDUKEZGZ-AWEZNQCLSA-N 425.323 2.853 5 1 IFBF CCCCNS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587090899 BJVBZUNTJACJON-UHFFFAOYSA-N 446.411 2.975 5 1 IFBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 767143 IKFJEBHMFQEDHD-FPOVZHCZSA-N 441.440 2.563 5 1 IFBF CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 42878216 PDFSDYZOTUUNJY-JRVGGCGHSA-N 426.425 2.579 5 1 IFBF N=C(N)c1ccc(NCCCCCNc2ccc(C(=N)N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 27440320 UKXIBOJBHONNSI-UHFFFAOYSA-N 428.453 2.765 5 1 IFBF CN(C)CCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCCN(C)C)C2=O 40421611 ZNTWTXCFEODHPR-UHFFFAOYSA-N 427.505 2.659 5 1 IFBF COc1cnc2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc([N+](=O)[O-])ccc12 103250720 AQLNNIUMLHJNBG-UHFFFAOYSA-N 431.408 2.812 5 1 IFBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@H](C)C(=O)O)[C@@H](C2)C3=O 587433104 NPQQPUAQYFTARB-QZBIMVINSA-N 429.381 2.953 5 1 IFBF COc1c(N2C[C@@H](C)O[C@H](C)C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 29123111 XMMNBHIHHMYICW-NXEZZACHSA-N 435.408 2.704 5 1 IFBF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H](C)O)cc1 586938693 QQGLXQTXRRSVDB-ABKXIKBNSA-N 440.865 2.534 5 1 IFBF COc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc(OC)c1 201444005 IJBKHVZQXCHRAS-CQSZACIVSA-N 449.485 2.651 5 3 IFBF O=C1CCc2cc3c(O)nc(O)nc3nc2[C@@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 587367912 AENNTNQSTAFLTI-CYBMUJFWSA-N 448.313 2.845 5 1 IFBF Nc1c2c(nc3c1[C@H](c1cccc([N+](=O)[O-])c1)n1c(=O)c4ccccc4c(=O)n1-3)CCCC2 1857639116 IJJDUTAIZOTZOQ-NRFANRHFSA-N 441.447 2.868 5 1 IFBF O=C(c1ccccc1)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587272686 OYZVFEZOBPUJTM-SFTDATJTSA-N 446.419 2.735 5 1 IFBF CN(C)CCNC(=O)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 621476383 KJDKMNTVMSOEOU-UHFFFAOYSA-N 432.436 2.840 5 1 IFBF CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc([N+](=O)[O-])c(CO)c12 169343011 RRJSWCKBKXZTEE-UHFFFAOYSA-N 432.429 2.603 5 1 IFBF CCS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 586928212 ZGDPCCMVRFTXTR-UHFFFAOYSA-N 443.890 2.989 5 1 IFBF COc1ccc2[nH]c3nc(=NCc4ccc(CN5CCN(C)CC5)cc4)nc(O)c-3cc2c1 1857630928 HKZMZVYAGJWCBC-UHFFFAOYSA-N 444.539 2.625 5 1 IFBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@H](C(=O)OC)[C@@H]1c1ccccc1[N+](=O)[O-] 169712730 QSLSXLZMKAFQHT-ROUUACIJSA-N 426.429 2.656 5 1 IFBF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC1)O2 587410651 UTJPMIUDGGFYGV-UHFFFAOYSA-N 431.470 2.674 5 1 IFBF Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NC(=O)CSCC(=O)O)C1 8624201 XEGBGYQFRHRJRS-HUUCEWRRSA-N 430.486 2.743 5 1 IFBF biogenic COC(=O)C1=C(C[S@](=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ON(C)[C@H]1c1ccccc1 103009480 FPJKDKRFARAODR-FZEVHQGJSA-N 447.425 2.656 5 1 IFBF O=[N+]([O-])c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)c(S(=O)(=O)N2CCOCC2)c1 587875298 JBXWJOSARFZESR-UHFFFAOYSA-N 446.416 2.713 5 1 IFBF O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 72173299 RURCUOPDBVGUHS-UHFFFAOYSA-N 434.500 2.927 5 1 IFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCCN(C)C)cc2[nH]1 587265413 DISGKVPVMYNQKR-BUXKBTBVSA-N 444.448 2.854 5 1 IFBF O=C1NC(=O)/C(=C/c2ccc(OCN3C(=O)c4ccccc4C3=O)c([N+](=O)[O-])c2)S1 1857769632 SEPVCLGBXPGBGO-NVNXTCNLSA-N 425.378 2.551 5 1 IFBF COC/C=C1\C[N+]2([O-])[C@H]3C[C@@]45C(=Nc6c(OC)cc(OC)c(OC)c64)OC[C@H]3[C@H]1C[C@@H]52 96085802 KYRGYFIBUVLRAO-WBZVWLCISA-N 428.485 2.702 5 1 IFBF O=C(NC[C@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 773877 FPZOUKDKTWDPBF-ZDUSSCGKSA-N 435.795 2.792 5 1 IFBF O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1 40899706 NMXZXXZQIQOHKQ-GMAHTHKFSA-N 447.491 2.656 5 1 IFBF CN(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928477 CMJBQWHMSVKCJL-UHFFFAOYSA-N 425.810 2.853 5 1 IFBF CCN(CC)CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 27618892 WBVCXCZYDJYUPR-UHFFFAOYSA-N 429.882 2.785 5 1 IFBF COc1cc([C@@H]2Oc3ccc4c(=O)c5c(O)cc(O)cc5oc4c3O[C@H]2CO)ccc1O 13381031 VNTNHKPOVKPWIP-RXVVDRJESA-N 438.388 2.945 5 1 IFBF biogenic O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCCCCNc1n[s+]c2[nH]ccn12 169718771 MTEWKTBUTBCEGR-UHFFFAOYSA-N 425.516 2.864 5 1 IFBF CC(C)(C)OC(=O)N[C@H](C(=O)[CH-]c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](N)Cc1ccccc1 169728483 TXJBRRYYXCZGEG-UYAOXDASSA-N 440.476 2.749 5 1 IFBF CN1CCN(c2cnc3cccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c3c2)CC1 71316952 ZVKVRFNKYPCBCE-UHFFFAOYSA-N 427.486 2.696 5 1 IFBF C[C@@](O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28013023 HSGAFOSEUZZAIR-MRXNPFEDSA-N 432.376 2.777 5 1 IFBF CCOC(=O)Cn1c(=O)nc2n(-c3cc(Cl)cc(Cl)c3)c3ccccc3nc-2c1=O 13755543 PTJZKMICSYYFNC-UHFFFAOYSA-N 445.262 2.917 5 1 IFBF COc1cc(OC)c2c(=O)cc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)oc2c1 653708756 QEWLVXIBEWJZFA-UHFFFAOYSA-N 439.424 2.681 5 1 IFBF O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 299868142 QZDLKKDGGMTWCE-OAQYLSRUSA-N 443.379 2.530 5 1 IFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(I)cnc4[nH]3)nn2)c1 587269104 GFZZAVZTMVPLFD-UHFFFAOYSA-N 433.169 2.718 5 1 IFBF CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(CC)c3ccc(Cl)cc3)[C@H]12 31795931 SEONMYOZACKEOS-DUGPEFOCSA-N 438.908 2.622 5 1 IFBF CN(C)c1ccccc1C(=O)OC[C@]1(CO)C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1 40891853 IPVIQFGGNFHDIO-UPMCQBDUSA-N 426.425 2.579 5 1 IFBF O=[N+]([O-])c1cncc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 586951694 VCSJSXFSPAIVEY-UHFFFAOYSA-N 438.263 2.736 5 1 IFBF COc1ccc(-c2cn(C(C)=O)c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 29131454 NATFXHSFCGYQLH-UHFFFAOYSA-N 443.412 2.909 5 1 IFBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cn3cncn3)c(C)c2c1 587621140 PQUZEONWUVBMHQ-UHFFFAOYSA-N 442.457 2.834 5 1 IFBF CN(C)CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081592 KXYZBSKXFSSCJB-CQSZACIVSA-N 432.502 2.675 5 1 IFBF NCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82080838 XVKXGODGSRFBCP-KRWDZBQOSA-N 440.481 2.561 5 1 IFBF O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCCCNc2n[s+]c3[nH]ccn23)cc1 169718775 JYPNBSLGBGCHJQ-UHFFFAOYSA-N 425.516 2.864 5 1 IFBF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049058 LLQLAEOBQNZAIE-JBYOLUDKSA-N 443.456 2.591 5 1 IFBF O=C1OC[C@H](Cc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1Cc1cc2c(cc1[N+](=O)[O-])OCO2 28335142 YDVOGFUYRSLWDG-STQMWFEESA-N 444.352 2.535 5 1 IFBF CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)ccn1 72175089 NWKJWEUUHVJQOM-UHFFFAOYSA-N 428.426 2.943 5 1 IFBF O=C(c1ccc([N+](=O)[O-])cc1)[C@@H](CC1=CN2C=CN=C[C@@H]2N1)S(=O)(=O)c1ccccc1 101111537 XPFIWJFTUXOLFB-WOJBJXKFSA-N 438.465 2.638 5 1 IFBF CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCO)cc1 4041392 JHQBPBXEOANUBR-HKUYNNGSSA-N 432.864 2.515 5 1 IFBF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C(C)C)cc1 586936714 JSOXWFHZRFWUFR-LJQANCHMSA-N 445.501 2.783 5 1 IFBF COc1ccc(NC(=O)c2[nH]c(=O)[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 71341170 ILSYBHZGZPMKLC-UHFFFAOYSA-N 444.400 2.565 5 1 IFBF NC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086052 QLKKOPULUPIHHC-HNNXBMFYSA-N 426.454 2.519 5 1 IFBF COC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1OC 587267356 XMWRRMRQALBMEB-BJOHPYRUSA-N 445.388 2.709 5 1 IFBF C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C[C@@H](C)O1 28868006 KPXUCNGZFADDEW-TXEJJXNPSA-N 442.403 2.745 5 1 IFBF O=C(O)COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1[N+](=O)[O-] 962961529 GUBLEDYOAONTBV-DIFFPNOSSA-N 442.758 2.678 5 1 IFBF CN(C)c1ccc(C(=O)OC[C@]2(CO)CC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 1857624405 PDFSDYZOTUUNJY-JOCHJYFZSA-N 426.425 2.579 5 1 IFBF CCOC(=O)[C@@H]1C(C)=NC(Cn2ccnc2)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726918 DJSCKESSIRHMNX-QZTJIDSGSA-N 426.429 2.656 5 1 IFBF CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(CC)c3ccc(Cl)cc3)[C@@H]12 5767216 SEONMYOZACKEOS-CPXIAGANSA-N 438.908 2.622 5 1 IFBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1C[C@H](O)[C@@H](O)[C@@H]3O1 238743618 BBQNBDLDLWPSAP-JQBKGYKRSA-N 439.427 2.939 5 1 IFBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@@H](C)C(=O)O)[C@@H](C2)C3=O 587433105 NPQQPUAQYFTARB-VGEBCVCESA-N 429.381 2.953 5 1 IFBF O=C1NC(=O)C2(c3ccccc3-c3ccccc32)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 299851867 KZDVVGQPKDQRMT-UHFFFAOYSA-N 435.417 2.760 5 1 IFBF CN(C)C(=O)c1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1 587262740 FKNGINAVNFKRIC-UHFFFAOYSA-N 436.472 2.656 5 1 IFBF COCCOc1cc2ncnc(NCCCCCCC(=O)NO)c2cc1OCCOC 206969254 HRIXJUADUXTHNT-UHFFFAOYSA-N 436.509 2.548 5 1 IFBF CN1CCC[C@@H]1COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085444 ROJNABWSAVJXQA-AEFFLSMTSA-N 444.513 2.960 5 1 IFBF CN(C)c1ccccc1C(=O)OC[C@]1(CO)C/C(=C\c2ccccc2[N+](=O)[O-])C(=O)O1 40891860 FLMRTOQVDYLBOA-UPMCQBDUSA-N 426.425 2.579 5 1 IFBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587272508 NHTZROQFZOUBHG-KBPBESRZSA-N 428.298 2.662 5 1 IFBF CN(CC(=O)NCc1ccccc1N)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82089343 KUJDJJMXNBOXPM-UHFFFAOYSA-N 425.470 2.689 5 1 IFBF Nc1c2c(nc3c1[C@@H](c1ccccc1[N+](=O)[O-])n1c(=O)c4ccccc4c(=O)n1-3)CCCC2 1857753376 MFGCQLVIQBCFAG-OAQYLSRUSA-N 441.447 2.868 5 1 IFBF CC1=C(C(=O)OCCO[N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1 31861383 HMBFMVGEQHJWAS-GOSISDBHSA-N 449.416 2.533 5 1 IFBF CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N(C)C 771642 VOTHDHVARMOMMV-ICSRJNTNSA-N 427.413 2.902 5 1 IFBF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586965783 YIOPYUSJARTFHL-UHFFFAOYSA-N 443.449 2.836 5 1 IFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587265071 LVUCDWQZYDGXMP-JTQLQIEISA-N 434.434 2.803 5 1 IFBF Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc23)n1 49069106 NSOPBBBAYUYNKP-UHFFFAOYSA-N 428.412 2.767 5 1 IFBF NC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085980 AWHWHEOQFRGKKK-INIZCTEOSA-N 426.454 2.519 5 1 IFBF COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4049654 NSUXLMNDRGPHOH-QUCCMNQESA-N 427.413 2.568 5 1 IFBF O=C(O)CCC(=O)O[C@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O 6017810 QALQAIWAHFERNQ-LJQANCHMSA-N 431.788 2.772 5 1 IFBF COc1ccccc1CNC(=O)CCCc1nnc2n3nc(C)nc3c3ccccc3n12 9860199 YTZNMLXLWJOTOA-UHFFFAOYSA-N 429.484 2.881 5 1 IFBF COc1ccc2c(CN3CCN(CCOCCO)CC3)cc3cc4c(cc3c2c1)OCO4 28706251 RLNKGMFWJIAXNC-UHFFFAOYSA-N 438.524 2.857 5 1 IFBF Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 49021271 KLKKCSXPCYQBAC-UHFFFAOYSA-N 436.519 2.848 5 1 IFBF C[C@@H](NC(=O)/C=C/c1ccc(O)cc1)C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 40950208 HPXPYPPJQGRHJK-KBVBDRTLSA-N 439.453 2.976 5 1 IFBF Cc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587273364 RVQKGJFUBOYDCI-GJZGRUSLSA-N 435.234 2.575 5 1 IFBF CC(C)N1CCN(c2cnc3ccc4ccc(NS(C)(=O)=O)cc4c(=O)c3c2)CC1 34873705 SZYARCOFJFUANJ-UHFFFAOYSA-N 426.542 2.650 5 1 IFBF COc1cc([C@@H]2Oc3ccc4c(=O)c5c(O)cc(O)cc5oc4c3O[C@@H]2CO)ccc1O 13381033 VNTNHKPOVKPWIP-NQIIRXRSSA-N 438.388 2.945 5 1 IFBF biogenic COC(=O)C(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618171 BPTBVAJPSRJOGZ-QKFKETGDSA-N 442.468 2.864 5 1 IFBF NC(=O)c1cc(N2CCC(c3nc4cnc(C(F)(F)F)[nH]c-4n3)CC2)ccc1[N+](=O)[O-] 587262923 IHMBMQJWFKPLOX-UHFFFAOYSA-N 435.366 2.714 5 1 IFBF O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2ncccc2[N+](=O)[O-])CC1 27715532 WFEOSUOHPMGASR-UHFFFAOYSA-N 433.534 2.900 5 1 IFBF O=C(NCCCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O)OCc1ccccc1 40940192 NNQRFJGGVDWZPR-SFHVURJKSA-N 429.429 2.875 5 1 IFBF O=C1OC[C@@H](Cc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1Cc1cc2c(cc1[N+](=O)[O-])OCO2 28137592 YDVOGFUYRSLWDG-OLZOCXBDSA-N 444.352 2.535 5 1 IFBF CN(C)c1ccccc1C(=O)OC[C@@]1(CO)C/C(=C\c2ccccc2[N+](=O)[O-])C(=O)O1 40891861 FLMRTOQVDYLBOA-GSTVHYHFSA-N 426.425 2.579 5 1 IFBF CC(=O)O[C@@H](COCc1ccc([N+](=O)[O-])cc1)CO[P@](=O)(O)CCCCCC(=O)O 26382297 VZIRBJGUINEWGG-KRWDZBQOSA-N 447.377 2.890 5 1 IFBF Nc1ncnc2c1c(-c1cc3ccccc3c3ccccc13)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 299831511 DWEUTYAVFIWVKA-PTGPVQHPSA-N 442.475 2.598 5 1 IFBF COC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1OC 587267359 XMWRRMRQALBMEB-RFAUZJTJSA-N 445.388 2.709 5 1 IFBF CS(=O)(=O)c1cc(-c2nc3nc(Br)c[nH]c-3n2)cc([N+](=O)[O-])c1Cl 586926310 NDWLYOFQUHQATG-UHFFFAOYSA-N 432.643 2.699 5 1 IFBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]3O1 238733257 BBQNBDLDLWPSAP-XKQFFYBUSA-N 439.427 2.939 5 1 IFBF COc1cccc([C@]2(c3cccc([N+](=O)[O-])c3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)n1 963521839 COAWJCLAZRGKLL-FDDCHVKYSA-N 435.436 2.903 5 1 IFBF COC(=O)[C@H](CSc1ccc([N+](=O)[O-])c2nonc12)NC(=O)OCc1ccccc1 299820244 GRYYOMJWZHIYKM-LBPRGKRZSA-N 432.414 2.691 5 1 IFBF COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC 770176 AAEGRPKEDBRODX-PZJWPPBQSA-N 442.472 2.858 5 1 IFBF CCN(CC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])n[nH]3)c(=O)c3ccccc23)c(O)c1 587666342 AAIRPPXYGVZUFL-UHFFFAOYSA-N 448.439 2.935 5 1 IFBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1 27557420 BIVLEDRCQVFALV-SNVBAGLBSA-N 443.821 2.820 5 1 IFBF COc1cc2c(=O)n([C@H](C)CN(C)C)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 13649122 IAZKLGONZZCWLY-GFCCVEGCSA-N 436.468 2.966 5 1 IFBF CC1=NC(C)=C(C(=O)NCCCN2CCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(N)=O 169715721 WCRVPBFEPZVSRH-CTNGQTDRSA-N 441.532 2.521 5 1 IFBF O=C(OCCCc1cccnc1)[C@H]1CCCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 1772587229 BXPNQOQRPVXMIC-HXUWFJFHSA-N 447.513 2.850 5 1 IFBF COc1ccc(OC)c(C(=O)N[C@@H](CC(N)=O)c2ccc(NCC3CC3)c([N+](=O)[O-])c2)c1 15937514 RWOVGRVOMRCLTI-SFHVURJKSA-N 442.472 2.780 5 3 IFBF CN(C)C(=O)C1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 95572721 AMQUHEPFPHAACX-UHFFFAOYSA-N 430.408 2.888 5 1 IFBF Cc1onc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079026 FHBHNDUUKVDBAO-UHFFFAOYSA-N 436.837 2.736 5 1 IFBF O=C(OCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 13864288 NUSBDTNJOHWHOM-UHFFFAOYSA-N 440.412 2.940 5 1 IFBF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049061 LLQLAEOBQNZAIE-MMACOIQUSA-N 443.456 2.591 5 1 IFBF NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccccc1[N+](=O)[O-] 40423202 JCDSUHIIORPINC-UHFFFAOYSA-N 449.471 2.676 5 1 IFBF C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1ccccc1N 82083028 VOEQQVGJUIRPKW-GFCCVEGCSA-N 425.470 2.735 5 1 IFBF Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 27902309 RRIQHRKOTOIUQS-UHFFFAOYSA-N 448.501 2.655 5 1 IFBF COc1cc(-n2nncc2-c2ccc(OC)c([N+](=O)[O-])c2[N+](=O)[O-])cc(OC)c1OC 73197179 GMKAMPWRSOOTQC-UHFFFAOYSA-N 431.361 2.785 5 1 IFBF Cc1nn(Cc2ccccc2-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267991 VEVUXRVRMWIZOD-UHFFFAOYSA-N 426.458 2.647 5 1 IFBF CC(=O)O[C@@H](c1ncc([N+](=O)[O-])n1C)[C@H](OC(C)=O)c1ccc(Br)cc1 40424243 QOMZZLNQZJXGGK-HUUCEWRRSA-N 426.223 2.999 5 1 IFBF COc1cc(OC)c2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc2c1 587263722 ZOOFNVBNGFEGNG-UHFFFAOYSA-N 425.445 2.971 5 1 IFBF CON(C)C(=O)C[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CN1C(=O)OC(C)(C)C 61948192 FXOAOTQWJZRATD-HOTGVXAUSA-N 437.449 2.540 5 3 IFBF CC(C)NC(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12 73407519 XQNRPEQMQSBDMJ-PJQXDXOGSA-N 435.458 2.534 5 1 IFBF CN(C)CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081490 UDWGNNKOCANZOO-OAHLLOKOSA-N 432.502 2.675 5 1 IFBF O=C(O)c1cn(-c2ccc(F)cc2)c2nc(N3CCSCC3)c([N+](=O)[O-])cc2c1=O 28867985 PQLGFMBNKWMUGZ-UHFFFAOYSA-N 430.417 2.684 5 1 IFBF COc1ccc2ccc(OCC(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)cc2c1 1857584427 AJSIZYODINGFTH-UHFFFAOYSA-N 446.437 2.649 5 1 IFBF CCOc1cc([C@H]2NCCc3c2c(C(C)C)nn3C)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 962907804 JBPNKLCZIAYPGR-CWTRNNRKSA-N 432.477 2.937 5 1 IFBF CCNC(=O)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 72178896 LWSUNCOXPQKBKN-LBPRGKRZSA-N 429.355 2.683 5 1 IFBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 587869891 QNLWGMDBNMEHAG-UHFFFAOYSA-N 443.363 2.517 5 1 IFBF Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCN(C(=O)c3ccc(Cl)s3)CC2)s1 40937596 IQYRBXVQYZXUNQ-UHFFFAOYSA-N 439.910 2.524 5 1 IFBF CN(C)c1cccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)c1 40394851 FSLCQWSZAPTPIV-BPNKPRMTSA-N 426.425 2.579 5 1 IFBF O=C(c1ccc([N+](=O)[O-])cc1)[C@H](CC1=CN2C=CN=C[C@H]2N1)S(=O)(=O)c1ccccc1 101111540 XPFIWJFTUXOLFB-PMACEKPBSA-N 438.465 2.638 5 1 IFBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1 13863129 GJWQEFUNQITYAJ-JTQLQIEISA-N 443.821 2.820 5 1 IFBF CCOC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1OCCN1C(=O)c2ccccc2C1=O 587648542 HQFZHOAOJJWPIL-UHFFFAOYSA-N 437.408 2.857 5 1 IFBF O=C(CCn1cnc([N+](=O)[O-])n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656695 KWPWAXLPZSNIAQ-UHFFFAOYSA-N 426.339 2.572 5 1 IFBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 4051359 IKFJEBHMFQEDHD-CTNGQTDRSA-N 441.440 2.563 5 1 IFBF CC(C)(C)OC(=O)N1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cn2)CC1 40564965 XXSYNCSESBWKRD-UHFFFAOYSA-N 431.449 2.570 5 1 IFBF Nc1c2c(nc3c1[C@@H](c1ccc([N+](=O)[O-])cc1)n1c(=O)c4ccccc4c(=O)n1-3)CCCC2 1857640108 XUOCWVHCSSTTNV-OAQYLSRUSA-N 441.447 2.868 5 1 IFBF NCCC[C@@H](N)C(=O)N[C@@H](C(=O)Nc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 73240152 HWDAGQMTTHGYOU-NHCUHLMSSA-N 435.484 2.610 5 1 IFBF NCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82080920 JJVNCEQAEBOPFT-INIZCTEOSA-N 440.481 2.561 5 1 IFBF O=c1c2ccccc2oc2c(OC[C@@H](O)CN3CCN(c4ccccn4)CC3)cccc12 1857537270 ZLRIVROCCIUETC-SFHVURJKSA-N 431.492 2.903 5 1 IFBF COC/C=C1/C[N+]2([O-])[C@H]3C[C@@]45C(=Nc6c(OC)cc(OC)c(OC)c64)OC[C@H]3[C@H]1C[C@@H]52 15252305 KYRGYFIBUVLRAO-ZOXFUSKHSA-N 428.485 2.702 5 1 IFBF COc1ccc([C@@H]2[C@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 26172123 QGJLKHPPBNNBCA-QUCCMNQESA-N 446.412 2.649 5 1 IFBF CCO/C(O)=C1\C(COCCN(C)C)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 29404504 QPPLBHWDQFBYJS-QGWGWZPUSA-N 447.488 2.964 5 1 IFBF CS(=O)(=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 587269946 GMBYHWFROFYDGT-UHFFFAOYSA-N 428.470 2.894 5 1 IFBF CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] 64693593 WHJCABOEZYNBKE-UHFFFAOYSA-N 446.481 2.561 5 1 IFBF COc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC 299849616 ORXDFUWHEQWFNV-LOODEUFTSA-N 439.468 2.767 5 1 IFBF CC(C)c1nn(C)c2c1[C@H](c1cc(I)c(O)c([N+](=O)[O-])c1)NCC2 962907819 JFMUYEWXBNRRQO-HNNXBMFYSA-N 442.257 2.997 5 1 IFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587265478 FKRFTIUEBMGCQM-MLXNANBUSA-N 447.320 2.730 5 1 IFBF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4051966 QBFYCQGCPBSCLE-AZUAARDMSA-N 441.440 2.550 5 1 IFBF CCOC(=O)C1=C(COC(C)=O)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 78821600 HNTQQWTUQMNSBI-QZTJIDSGSA-N 432.429 2.713 5 1 IFBF CCOc1ccc(-c2nn(-c3ncc([N+](=O)[O-])c(N)n3)c(=O)c3ccccc23)cc1OCC 587668906 IHNSVRQVHDLKLC-UHFFFAOYSA-N 448.439 3.131 5 1 IFBF O=[N+]([O-])c1ccn(CCCc2nc3c(I)cnc(Cl)c3[nH]2)n1 587273736 OISARNUSCYUWHR-UHFFFAOYSA-N 432.609 2.953 5 1 IFBF CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccn1 72175532 BHSSUIKSNGYDMT-UHFFFAOYSA-N 428.426 2.943 5 1 IFBF CCCN(C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 95605316 JTYDGZSJXQUHMI-UHFFFAOYSA-N 433.486 2.514 5 1 IFBF O=C(Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12)c1ccncc1 40412782 OYNKJPSYLFMTBG-UHFFFAOYSA-N 427.380 2.589 5 1 IFBF COC1=C(OCc2ccc([N+](=O)[O-])cc2)C(=O)O/C1=C\Cn1cnc2c(Cl)ncnc21 13862801 LPHNHZBSEKDTEG-MLPAPPSSSA-N 443.803 2.903 5 1 IFBF CC(=O)NCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134872 UYJUZDVQTBGUCP-KUHUBIRLSA-N 440.504 2.908 5 1 IFBF O=c1c2ccccc2oc2cc(OC[C@H](O)CN3CCN(c4ccccn4)CC3)ccc12 1857537536 WGRQNOXKFSRPCY-GOSISDBHSA-N 431.492 2.903 5 1 IFBF CCCC[C@@H](OP(=O)(O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 3874622 HARXAJAHMRMERT-JKSUJKDBSA-N 445.409 2.732 5 1 IFBF O=c1nc(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)sc2ccc([N+](=O)[O-])cc12 1772615130 CDPJEARAKLERMB-UHFFFAOYSA-N 427.442 2.795 5 1 IFBF NC(=O)c1cc(N2CCC(c3nc4cc5c(cc4[nH]3)NC(=O)CC5)CC2)ccc1[N+](=O)[O-] 587262906 HSSBYSUMRZLNGH-UHFFFAOYSA-N 434.456 2.839 5 1 IFBF CCOC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1OCCN1C(=O)c2ccccc2C1=O 587649055 OSJKQGFCCPOTCU-UHFFFAOYSA-N 437.408 2.857 5 1 IFBF CN(C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NCc2ccc3c(c2)OCO3)o1 1857626425 HXRSXEDVVARPHP-UHFFFAOYSA-N 434.518 2.758 5 1 IFBF CCCN(C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 95603916 FVERNMVWCQPUBH-UHFFFAOYSA-N 433.486 2.561 5 1 IFBF CCOc1cc([C@@H]2NCCc3c2c(C(C)C)nn3C)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 962907797 JBPNKLCZIAYPGR-BLVKFPJESA-N 432.477 2.937 5 1 IFBF CN(C)C[C@@H](O)COc1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3O)n2)cc1 45231032 QMUIWAXTGGBBKF-OAHLLOKOSA-N 440.460 2.879 5 1 IFBF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049059 LLQLAEOBQNZAIE-RFVSGWPVSA-N 443.456 2.591 5 1 IFBF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586960455 XILIQJZRILWTGX-HNNXBMFYSA-N 441.263 2.703 5 1 IFBF COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 27087301 FXSFCIZZSPZFCD-RHSMWYFYSA-N 438.845 2.690 5 1 IFBF O=[N+]([O-])C1=C(CS(=O)(=O)c2ccccc2)N[C@@H]2C(c3ccncc3)=CC(Cl)=CN12 1857596555 ZYTYWBJPJNOEBC-SFHVURJKSA-N 430.873 2.710 5 1 IFBF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc([N+](=O)[O-])cnc4[nH]3)cccc12 586941608 CNNVFDMTBCKDMK-UHFFFAOYSA-N 426.458 2.564 5 1 IFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(OC(F)(F)F)cc3)c1)C2 45253096 CVNDHYKQXUYQNO-AWEZNQCLSA-N 425.323 2.853 5 1 IFBF CCN(CC)CCNc1ccc(CNS(C)(=O)=O)c2sc3ccc(O)cc3c(=O)c12 100808788 ONFKROLCTSXWNX-UHFFFAOYSA-N 449.598 2.923 5 1 IFBF NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c([N+](=O)[O-])c1 587662234 YIGSHBQQTJXNNH-UHFFFAOYSA-N 440.412 2.747 5 1 IFBF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 104798567 RTRWWRFAKXNNTO-AJAKECSLSA-N 445.479 2.628 5 1 IFBF CN(C)/C=C/[C@]1(c2nn(C)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572822 AAFRHJRCWQIUIB-YFAYCFMXSA-N 436.424 2.966 5 1 IFBF COc1ccc(OC)c(C(=O)N[C@H](CC(N)=O)c2ccc(NCC3CC3)c([N+](=O)[O-])c2)c1 15937516 RWOVGRVOMRCLTI-GOSISDBHSA-N 442.472 2.780 5 3 IFBF CC(=O)O[C@@H](c1ccc(Br)cc1)[C@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C 40424240 QOMZZLNQZJXGGK-GJZGRUSLSA-N 426.223 2.999 5 1 IFBF O=[N+]([O-])c1ccc(/C=c2\nc(O)/c(=C/c3cccc(Oc4ccc(F)cc4)c3)nc2O)o1 1911584467 WCWYQNKKTJIZFQ-ZAORYEFMSA-N 435.367 2.978 5 1 IFBF O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(-c3ccco3)n[nH]c2c1=O)c1cccnc1 49033036 CZBRKIRZOAZZQF-UHFFFAOYSA-N 443.379 2.734 5 1 IFBF Cc1nc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2cc1Br 587270055 JCMOIDCQZXZONO-ZDUSSCGKSA-N 433.266 2.836 5 1 IFBF NCCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82080921 JJVNCEQAEBOPFT-MRXNPFEDSA-N 440.481 2.561 5 1 IFBF CC(=O)Nc1cc(Cc2cc3oc4cc(=O)c(NC(C)=O)cc-4nc3cc2CO)ccc1O 95597527 VCRVBZKVBRQVRP-UHFFFAOYSA-N 447.447 2.998 5 1 IFBF CCOC(=O)C1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2[N+](=O)[O-])CC1 587553060 FJKAWNMELFTRPK-UHFFFAOYSA-N 439.428 2.791 5 1 IFBF CCOC(=O)C1=C(C)NC(C=CC(=O)OC)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 1857621859 NFZXRMVDNPOQBF-IBGZPJMESA-N 444.440 2.665 5 1 IFBF CC(=O)Oc1cc2oc3cc(OC(C)=O)c(OC(C)=O)cc3c(=O)c2cc1OC(C)=O 14764599 GVZVCPHPBNOQLD-UHFFFAOYSA-N 428.349 2.647 5 1 IFBF biogenic COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587431492 FOQQQQHYHQATNT-VGEBCVCESA-N 429.381 2.953 5 1 IFBF O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 12407237 YGFKRLXIPKWQNC-ZCNNSNEGSA-N 436.468 2.875 5 1 IFBF COC(=O)c1cc(Cl)c2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 587269575 FNSRZEFEFBBTSE-AWEZNQCLSA-N 431.836 2.810 5 1 IFBF CCOC(=O)C1=C(COC(C)=O)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 78821582 HNTQQWTUQMNSBI-MSOLQXFVSA-N 432.429 2.713 5 1 IFBF COc1ccc(OC)c(C(=O)N[C@@H](CC(N)=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)c1 15936248 SKXXSNJOVAQJRV-KRWDZBQOSA-N 430.461 2.779 5 3 IFBF CN(C)C(=O)Nc1ccc(Cn2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)cc1 28656011 TVQQUUVYPKGIMU-UHFFFAOYSA-N 439.859 2.739 5 1 IFBF CCN(CC)CCn1c2c(OC)c(O)ccc2c(=O)c2c(O)c(OC)c(OC)c(OC)c21 100840974 DTKJNHWTCBTJOA-UHFFFAOYSA-N 446.500 2.942 5 1 IFBF CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccc(Cl)cc3)[C@H]12 31795926 SEONMYOZACKEOS-GOGFOOHQSA-N 438.908 2.622 5 1 IFBF O=[N+]([O-])C1=C(CS(=O)(=O)c2ccccc2)N[C@H]2C(c3ccncc3)=CC(Cl)=CN12 1857596554 ZYTYWBJPJNOEBC-GOSISDBHSA-N 430.873 2.710 5 1 IFBF O=[N+]([O-])c1ccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)C[C@H]3C2)o1 1857756713 DOJKIHIINYOOBA-CHWSQXEVSA-N 445.419 2.959 5 1 IFBF CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCO)cc1 4041389 JHQBPBXEOANUBR-PKOBYXMFSA-N 432.864 2.515 5 1 IFBF CN(C)c1ccc(C(=O)OC[C@@]2(CO)CC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 1857624406 PDFSDYZOTUUNJY-QFIPXVFZSA-N 426.425 2.579 5 1 IFBF O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)n1 84688820 DXXQUQXHIHRQBC-UHFFFAOYSA-N 447.317 2.593 5 1 IFBF O=C(O)COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1[N+](=O)[O-] 962961539 GUBLEDYOAONTBV-PIGZYNQJSA-N 442.758 2.678 5 1 IFBF Cc1nn(Cc2ccccc2-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C)c1[N+](=O)[O-] 587268259 ZDYRMAKJBJQHHM-UHFFFAOYSA-N 426.458 2.647 5 1 IFBF CC(C)N1CCN(Cc2nc3ccc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2F)CC1 169303620 ZOJSNTMSHNATLR-UHFFFAOYSA-N 425.464 2.959 5 1 IFBF O=[N+]([O-])c1ccc(CN2C[C@H]3CN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)C[C@H]3C2)o1 1857756712 DOJKIHIINYOOBA-BETUJISGSA-N 445.419 2.959 5 1 IFBF CNS(=O)(=O)c1ccc(CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 586947058 RMXTXOVHITTZKB-UHFFFAOYSA-N 439.291 2.927 5 1 IFBF CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2cc([N+](=O)[O-])ccc12 49036008 NMVXPJQDBNDMAO-UHFFFAOYSA-N 426.458 2.865 5 1 IFBF CN(C)CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081593 KXYZBSKXFSSCJB-AWEZNQCLSA-N 432.502 2.675 5 1 IFBF CC[C@@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4cccc(OC)c43)[C@H]2C[C@@H]1/C(=C/OC)C(=O)OC 238761000 MIGLCSJYCZVLHM-HTGLQEOHSA-N 430.501 2.721 5 1 IFBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1O[C@H]3C[C@@H](O)[C@@H]1O 2356566122 BBQNBDLDLWPSAP-KIAJGJMWSA-N 439.427 2.939 5 1 IFBF O=[N+]([O-])c1ccc(CN2[C@H](COCc3ccccc3)[C@@H](N3CCCC3)CS2(=O)=O)cc1 72141322 MQTZNDOIPYYYFE-YADHBBJMSA-N 445.541 2.790 5 3 IFBF CSc1ccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1[N+](=O)[O-] 586940967 LPKFLJBZZNIYKM-UHFFFAOYSA-N 437.459 2.888 5 1 IFBF NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 15935111 YCDKQOWBRKVICZ-FQEVSTJZSA-N 439.516 2.839 5 3 IFBF CSc1ccc(S(=O)(=O)NCc2nc3c(F)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 586941049 NFVSSGCKVOSNGH-UHFFFAOYSA-N 431.858 2.859 5 1 IFBF Cc1onc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080116 RRXPRVZELOLQSW-UHFFFAOYSA-N 438.809 2.579 5 1 IFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587266712 NHSPEUFSAXTANC-DYZYQPBXSA-N 428.405 2.615 5 1 IFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(I)cnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263888 OTRBMBPCDZDFDE-CSMHCCOUSA-N 448.648 2.876 5 1 IFBF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H](O)C[C@H]1c1ccc([N+](=O)[O-])cc1 40409700 KMWWTXMJXPAIBN-RDJZCZTQSA-N 431.836 2.713 5 1 IFBF Cc1nn(C)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1[N+](=O)[O-] 587655856 BYOUTRUNPNLNSG-UHFFFAOYSA-N 425.351 2.980 5 1 IFBF O=C1NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCN2C(=O)c3ccccc3C2=O)S1 1857651499 ZDAZEXDKAFAOIU-NVNXTCNLSA-N 425.378 2.551 5 1 IFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587265476 FKRFTIUEBMGCQM-KWKYVRJSSA-N 447.320 2.730 5 1 IFBF Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 27891638 YDKSGNYYUHGUMT-UHFFFAOYSA-N 448.501 2.655 5 1 IFBF O=C(OCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CC=C(n2c(=O)nc3cccc[c-]32)CC1 169717090 ZJFOVLQKPZZHJV-UHFFFAOYSA-N 437.388 2.636 5 1 IFBF CN(C)/C=C/[C@]1(c2nn(C)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572806 AAFRHJRCWQIUIB-HBURNHKCSA-N 436.424 2.966 5 1 IFBF COC(=O)c1ccc([C@H](C)n2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)cc1 28655994 HPICEDZGJUHGKN-JTQLQIEISA-N 425.828 2.993 5 1 IFBF NC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085981 AWHWHEOQFRGKKK-MRXNPFEDSA-N 426.454 2.519 5 1 IFBF CC[C@@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4cccc(OC)c43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 238760986 MIGLCSJYCZVLHM-MRMSZKKKSA-N 430.501 2.721 5 1 IFBF CN1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1c1ccccc1 28867500 BCEJGVZVCAOAKK-LJQANCHMSA-N 449.467 2.831 5 1 IFBF CC1=C(C(=O)OCCO[N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1 31861381 HMBFMVGEQHJWAS-SFHVURJKSA-N 449.416 2.533 5 1 IFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587265479 FKRFTIUEBMGCQM-NZFNHWASSA-N 447.320 2.730 5 1 IFBF Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 27890362 LNJLEMVIWQBFOP-UHFFFAOYSA-N 448.501 2.655 5 1 IFBF NCCC[C@@H](N)C(=O)N[C@H](C(=O)Nc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 73240157 HWDAGQMTTHGYOU-RTWAWAEBSA-N 435.484 2.610 5 1 IFBF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H](C)O)cc1 586938700 QQGLXQTXRRSVDB-XXFAHNHDSA-N 440.865 2.534 5 1 IFBF CC1=C(c2ccc3nc(Cn4nc(C(F)(F)F)c([N+](=O)[O-])c4C)[nH]c3c2)NNC(=O)C1 587118382 PLLUJQOPDXBABA-UHFFFAOYSA-N 435.366 2.799 5 1 IFBF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cnc(N)c([N+](=O)[O-])c4)[nH]c3c2)cc1 587267610 BNZBBZDGGKJIAP-UHFFFAOYSA-N 440.441 2.925 5 1 IFBF CCO[C@@H]1c2cc3cccc([N+](=O)[O-])c3nc2-c2cc3c(c(=O)n21)COC(=O)[C@]3(O)CC 27192870 DAJLWZOINRYWKC-IRLDBZIGSA-N 437.408 2.523 5 1 IFBF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 104798565 RTRWWRFAKXNNTO-DJDZNOHASA-N 445.479 2.628 5 1 IFBF COC(=O)[C@@H](CSc1ccc([N+](=O)[O-])c2nonc12)NC(=O)OCc1ccccc1 299820241 GRYYOMJWZHIYKM-GFCCVEGCSA-N 432.414 2.691 5 1 IFBF O=S(=O)(NCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc2c(c1)OCCO2 586942117 RNANPUMXQAVRJY-UHFFFAOYSA-N 447.476 2.909 5 1 IFBF CCCC[C@H](OP(=O)(O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 3874621 HARXAJAHMRMERT-HOTGVXAUSA-N 445.409 2.732 5 1 IFBF in-vivo O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 36213656 RTRWWRFAKXNNTO-NLZGTENKSA-N 445.479 2.628 5 1 IFBF CC(=O)NCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134876 UYJUZDVQTBGUCP-AUUYWEPGSA-N 440.504 2.908 5 1 IFBF COC(=O)c1ccc([C@@H](C)n2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)cc1 28655991 HPICEDZGJUHGKN-SNVBAGLBSA-N 425.828 2.993 5 1 IFBF O=C(Cn1cnc2ccc(Cl)cc2c1=O)NCc1nc2ccc([N+](=O)[O-])cc2s1 299828761 WKLITGLDCJRNLX-UHFFFAOYSA-N 429.845 2.884 5 1 IFBF CCCCOC(=O)COC(=O)CN(C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085831 PFGXADCPZZAAKI-UHFFFAOYSA-N 435.458 2.677 5 1 IFBF COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)Cn1nnn(-c2ccc(C(F)(F)F)cc2)c1=O 98082578 QSBGXNDSYITOKG-JLHYYAGUSA-N 449.345 2.613 5 1 IFBF CCCCOC(=O)COC(=O)[C@@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82083670 UYDLYFYCENIUMB-GFCCVEGCSA-N 435.458 2.723 5 1 IFBF O=C(O)CCN(CC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 36387400 RCUQBKRJDPXIPK-UHFFFAOYSA-N 426.834 2.597 5 3 IFBF COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC 770174 AAEGRPKEDBRODX-FPOVZHCZSA-N 442.472 2.858 5 1 IFBF CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 40394846 XJIZSZWEOKQXGN-BPNKPRMTSA-N 426.425 2.579 5 1 IFBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NC[C@H](O)CO)cc1 774491 ITFDEEJFLYPASR-ZDUSSCGKSA-N 447.831 2.662 5 1 IFBF O=c1[nH]cnc2c([N+](=O)[O-])ccc(Nc3ccc(OCCCN4CCOCC4)cc3)c12 40584921 HPWCWWFMQLRLSU-UHFFFAOYSA-N 425.445 2.676 5 1 IFBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@H](C)C(=O)O)[C@@H](C2)C3=O 587433103 NPQQPUAQYFTARB-KLSHDWIQSA-N 429.381 2.953 5 1 IFBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@]3(C(=O)Nc4cc(F)c([N+](=O)[O-])cc43)N12 962674653 VTDYHRWUZVVILF-FGZHOGPDSA-N 436.399 2.576 5 1 IFBF COc1cc([C@@H]2[C@H]([N+](=O)[O-])[C@@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC 169322091 ORXDFUWHEQWFNV-FDSZKQNJSA-N 439.468 2.767 5 1 IFBF CCO[C@H]1c2cc3c([N+](=O)[O-])cccc3nc2-c2cc3c(c(=O)n21)COC(=O)[C@]3(O)CC 27193152 SIFMTKFSJGQHQQ-UNMCSNQZSA-N 437.408 2.523 5 1 IFBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 169726924 BFPYQVDFBXTHFO-ZWKOTPCHSA-N 426.429 2.656 5 1 IFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(C(F)(F)F)[nH]c-2n1 587263486 AJZKJDVSTMQINU-UPONEAKYSA-N 427.299 2.674 5 1 IFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587266714 NHSPEUFSAXTANC-QGHHPUGFSA-N 428.405 2.615 5 1 IFBF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c3ccccc3c3ccccc3c2[nH]1 587217359 BDRQDQKQTBFJJI-SJORKVTESA-N 434.452 2.693 5 1 IFBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587273849 VPKVHWPSLKYLPQ-KBPBESRZSA-N 428.298 2.662 5 1 IFBF NS(=O)(=O)c1ccc(CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 586930482 UPPAOABBKGQZPH-UHFFFAOYSA-N 425.264 2.666 5 1 IFBF COc1c(O)ccc2c1O[C@H](CO)[C@H]2Oc1ccc2c(=O)oc3cc(O)ccc3c2c1O 13461120 PMSRLQCWGSYPEB-XLIONFOSSA-N 438.388 2.945 5 1 IFBF biogenic CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4076915 FKGNQFVOJBCXBC-UYAOXDASSA-N 426.429 2.570 5 1 IFBF COC1=C(OCc2ccc([N+](=O)[O-])cc2)C(=O)O/C1=C/Cn1cnc2c(Cl)ncnc21 100799201 LPHNHZBSEKDTEG-AWNIVKPZSA-N 443.803 2.903 5 1 IFBF CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2c([N+](=O)[O-])cnc2C)CC1 27899098 WSXXHCOEOMLDDC-UHFFFAOYSA-N 443.504 2.551 5 1 IFBF COc1ccc(S(=O)(=O)Cc2nc3ccc(Br)cn3c2[N+](=O)[O-])cc1 96939371 KGWOHRZNINTJIX-UHFFFAOYSA-N 426.248 2.988 5 1 IFBF CCO[C@H]1c2cc3cccc([N+](=O)[O-])c3nc2-c2cc3c(c(=O)n21)COC(=O)[C@]3(O)CC 27192875 DAJLWZOINRYWKC-UNMCSNQZSA-N 437.408 2.523 5 1 IFBF O=C(O)COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1[N+](=O)[O-] 962961523 GUBLEDYOAONTBV-APPDUMDISA-N 442.758 2.678 5 1 IFBF O=[N+]([O-])c1cc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2cc1[N+](=O)[O-] 586946074 GFKBIBDVNXLGAD-LBPRGKRZSA-N 447.429 2.504 5 1 IFBF O=C(c1ccn(COc2ccccc2[N+](=O)[O-])n1)n1ncc2ccc(Cl)cc2c1=O 587653460 WQICKUBUAYWVNR-UHFFFAOYSA-N 425.788 2.880 5 1 IFBF NCCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82080839 XVKXGODGSRFBCP-QGZVFWFLSA-N 440.481 2.561 5 1 IFBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1nc(N2CCCCC2)ncc1F 587945632 OWJVVARBFCZNEC-UHFFFAOYSA-N 431.428 2.594 5 1 IFBF COCCN1CCN(C(=O)c2nc3cc(C(F)(F)F)c(C)c([N+](=O)[O-])c3s2)CC1 263620243 AOMUWGOWJLARPE-UHFFFAOYSA-N 432.424 2.936 5 1 IFBF in-vitro COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4049656 NSUXLMNDRGPHOH-UYAOXDASSA-N 427.413 2.568 5 1 IFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587265481 FKRFTIUEBMGCQM-ZIDLFYJRSA-N 447.320 2.730 5 1 IFBF O=C(c1ccco1)N1CCN(C(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1 2957398 XSDWGCBVVGPZHE-UHFFFAOYSA-N 436.855 2.692 5 1 IFBF CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccc(C(=O)NC)cc2)c([N+](=O)[O-])c1 3807236 WAUZDXGKLHLLSG-UHFFFAOYSA-N 435.488 2.775 5 1 IFBF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C(C)C)cc1 586936704 JSOXWFHZRFWUFR-IBGZPJMESA-N 445.501 2.783 5 1 IFBF COC(=O)C(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618165 BPTBVAJPSRJOGZ-LFVRLGFBSA-N 442.468 2.864 5 1 IFBF Cc1ccc2nc3[nH]c(=NCc4ccc(CN5CCN(C)CC5)cc4)nc(O)c3cc2c1 1857748300 HEUUNXTZCZULKD-UHFFFAOYSA-N 428.540 2.973 5 1 IFBF O=[N+]([O-])c1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1Cl 587181905 HRCQSTACWLQSPY-UHFFFAOYSA-N 433.549 2.597 5 1 IFBF O=S(=O)(NCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc2c(c1)OCCO2 586942280 UYUQSRBGKFJUDA-UHFFFAOYSA-N 447.476 2.909 5 1 IFBF CN(CC(=O)OCCc1ccccn1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085776 GVFLAHHDSVCDDJ-UHFFFAOYSA-N 426.454 2.971 5 1 IFBF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H](O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 40409704 KMWWTXMJXPAIBN-WBVHZDCISA-N 431.836 2.713 5 1 IFBF O=C1CCCC(=O)N1CCCCN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 73198515 VTGAOGQALDOZIU-UHFFFAOYSA-N 425.489 2.584 5 1 IFBF O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1 64436563 SJWDBKWBFHCWPA-GOSISDBHSA-N 431.861 2.903 5 1 IFBF Cn1c(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc2[nH]c(=O)c3ccccc3c21 169352937 BRLOXHLRMLECCH-UHFFFAOYSA-N 445.479 2.886 5 1 IFBF O=C(c1cccn2c(=O)c3ccccc3nc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20646249 DSGXRODWBIBRGI-UHFFFAOYSA-N 442.475 2.534 5 3 IFBF COc1cc(OC)nc(NC(=S)NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 28566348 NAKNLHCKZXSNDW-UHFFFAOYSA-N 429.414 2.789 5 1 IFBF O=C(OCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(n2c(=O)nc3cccc[c-]32)CC1 169717091 JNXQBLPJDIDZSS-UHFFFAOYSA-N 439.404 2.726 5 1 IFBF CC(=O)NCCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134873 UYJUZDVQTBGUCP-LIRRHRJNSA-N 440.504 2.908 5 1 IFBF CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3ccc(OC(C)=O)c(OC(C)=O)c3oc2c1 40413687 MQYHSMXEWFHCOO-UHFFFAOYSA-N 428.349 2.647 5 1 IFBF biogenic O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@@H](OCc1ccc(OCc3ccccc3)cc1)C2 40919116 XSTXGIIZMXYPDJ-SFHVURJKSA-N 429.454 2.743 5 1 IFBF O=[N+]([O-])c1ccc(Cn2cc(CNc3nnc(-c4ccc([N+](=O)[O-])o4)s3)nn2)cc1 73292400 NEUURDBNEYTVFU-UHFFFAOYSA-N 428.390 2.866 5 1 IFBF CC(C)(C)OC(=O)NCCOCCOCCNc1cc(O)nc2c([N+](=O)[O-])cccc12 299869045 TVEJBXZKZRJRFG-UHFFFAOYSA-N 436.465 2.818 5 1 IFBF O=C(c1cccn2c(=O)c3cc(Br)ccc3nc12)N1CCC2(CC1)OCCO2 2957436 OOJANGFXTFGKRR-UHFFFAOYSA-N 444.285 2.589 5 3 IFBF CN(C)c1cccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)c1 40394850 FSLCQWSZAPTPIV-IHSQGBLNSA-N 426.425 2.579 5 1 IFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(C(F)(F)F)[nH]c-2n1 587263483 AJZKJDVSTMQINU-KBUNVGBDSA-N 427.299 2.674 5 1 IFBF COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCO)c([N+](=O)[O-])cc1OC 2480269 QDTIMSQKKAJENT-UHFFFAOYSA-N 431.376 2.795 5 1 IFBF COc1ccc([C@@H]2Cc3c(cccc3[N+](=O)[O-])N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1 13450841 DNGRBKGBPLWGQC-PGRDOPGGSA-N 441.484 2.770 5 1 IFBF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cncc([N+](=O)[O-])c4[nH]3)cccc12 586941737 DPYAGNIOVYHRIN-UHFFFAOYSA-N 426.458 2.564 5 1 IFBF CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCO 4152620 YPURXFRMLXATIF-IEBWSBKVSA-N 433.848 2.847 5 1 IFBF COC(=O)c1cc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2cc1OC 587267172 VCFGEOHJGXWTDN-XLFHBGCDSA-N 445.388 2.709 5 1 IFBF Cc1c([N+](=O)[O-])c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nn1C 587655865 CDUDQUVOEQCFLW-UHFFFAOYSA-N 425.351 2.980 5 1 IFBF C[N+](C)(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N+](C)(C)C)ccc1-2 13557220 LKTFCULVDFWBGL-UHFFFAOYSA-P 438.572 2.968 5 1 IFBF CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1ncc2ccc(Cl)cc2c1=O 587654060 HDBVHCBPGKCXKU-UHFFFAOYSA-N 436.877 2.978 5 1 IFBF CN(C)c1n2c3cc([N+](=O)[O-])ccc3[n+]3c(N(C)C)n4ccccc4c3c2c2cccc[n+]12 1651694 XEEYDRDWCCBPAB-UHFFFAOYSA-N 441.495 2.863 5 1 IFBF O=[N+]([O-])c1cc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2cc1[N+](=O)[O-] 586946066 GFKBIBDVNXLGAD-GFCCVEGCSA-N 447.429 2.504 5 1 IFBF CCN(CC)S(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)c([N+](=O)[O-])c1 587653433 ACEGVTGGQJLJOF-UHFFFAOYSA-N 436.877 2.978 5 1 IFBF COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4049655 NSUXLMNDRGPHOH-AZUAARDMSA-N 427.413 2.568 5 1 IFBF Cn1cnc(S(=O)(=O)Nc2ccc3ccc4ncc(-c5cnn(C)c5)cc4c(=O)c3c2)c1 72108501 CIWWMNHAJAUGHN-UHFFFAOYSA-N 446.492 2.683 5 1 IFBF CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2ccc(S(C)(=O)=O)cc12 587650812 UEIGBVKNCAPZNI-UHFFFAOYSA-N 446.437 2.906 5 1 IFBF NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 15935110 YCDKQOWBRKVICZ-HXUWFJFHSA-N 439.516 2.839 5 3 IFBF COc1ccccc1-n1nncc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 84652165 WDRIQKPEYQONNT-UHFFFAOYSA-N 442.863 2.800 5 1 IFBF CCS(=O)(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 587266919 QIJMABZUGGCLJC-QGHHPUGFSA-N 449.445 2.707 5 1 IFBF CN(C)C(=O)Nc1cccc(Cn2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)c1 28656014 XGSXXFWRODUXFW-UHFFFAOYSA-N 439.859 2.739 5 1 IFBF Cc1cccc(NC(=S)NC(=O)c2cn(CCO)c3c(cc(O)c4ncccc43)c2=O)c1 103288188 JGHBBTUECVTUHT-UHFFFAOYSA-N 448.504 2.683 5 1 IFBF Cc1nnn(-c2ccccc2O)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 84653037 HILADLWOTYEFMV-UHFFFAOYSA-N 442.863 2.805 5 1 IFBF COC(=O)C[C@H]1c2ccc(Cl)cc2NC(=O)[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 27087296 FXSFCIZZSPZFCD-WMLDXEAASA-N 438.845 2.690 5 1 IFBF CCOC(=O)C1=C(C)NC(/C=C/C(=O)OC)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 49069088 NFZXRMVDNPOQBF-VYENPZKTSA-N 444.440 2.665 5 1 IFBF O=C(NCCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O)OCc1ccccc1 40424358 OYBUNFYJJOKUDR-SFHVURJKSA-N 429.429 2.875 5 1 IFBF COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1OC 587936904 LPDUMRIFQWKIBO-VIFPVBQESA-N 443.206 2.594 5 1 IFBF CCOC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1cc(C)cc([N+](=O)[O-])c1O 587650491 LYGDHRYXLZJURM-UHFFFAOYSA-N 446.437 2.901 5 1 IFBF CC1=C[C@@]2(NCCc3ccc(C(=O)N(C)C)cc32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] 962928487 YPIVFGZGPVAGQN-QHCPKHFHSA-N 449.467 2.502 5 1 IFBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc([C@@H](CC(=O)O)C(=O)O)c1O 587943996 VDQJQXNOCOTLNV-SSDOTTSWSA-N 447.169 2.650 5 1 IFBF NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1 299819903 DYIDWEGAAUNJJP-UHFFFAOYSA-N 429.439 2.517 5 1 IFBF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 767332 QBFYCQGCPBSCLE-UYAOXDASSA-N 441.440 2.550 5 1 IFBF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](O)C[C@H]1c1ccc([N+](=O)[O-])cc1 40409708 KMWWTXMJXPAIBN-DOTOQJQBSA-N 431.836 2.713 5 1 IFBF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCC4(CC3)OCCO4)cc21 40866736 QIVCUZUWRWRARD-UHFFFAOYSA-N 431.445 2.706 5 1 IFBF COc1cccc(N2CCN(C3=C(Cl)C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)CC2)c1 64623288 SNCCOGPAZNFDAM-UHFFFAOYSA-N 442.859 2.749 5 1 IFBF Cc1nn2c(SCC(=O)NC3C4CC5CC(C4)CC3C5)nc3ccccc3c2nc1=O 73142414 NTIOHGJTWMJZAK-UHFFFAOYSA-N 435.553 2.979 5 1 IFBF COC(=O)c1cc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2cc1OC 587267174 VCFGEOHJGXWTDN-XYZCENFISA-N 445.388 2.709 5 1 IFBF COC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1OC 587267360 XMWRRMRQALBMEB-VFZGTOFNSA-N 445.388 2.709 5 1 IFBF O=C(O)CSC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1 1857771166 PYWRDYVUGHDTQV-KRWDZBQOSA-N 427.438 2.762 5 1 IFBF CN(C)CCc1c[nH]c2ccc(CCN3C(=O)N[C@H](Cc4ccc([N+](=O)[O-])cc4)C3=O)cc12 13603552 QFIKIRICTKBUCC-JOCHJYFZSA-N 449.511 2.886 5 1 IFBF COC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1OC 587267358 XMWRRMRQALBMEB-PSLIRLAXSA-N 445.388 2.709 5 1 IFBF CC(=O)Oc1cc2oc3c(OC(C)=O)c(OC(C)=O)ccc3c(=O)c2cc1OC(C)=O 14764594 SABQRJRRONNVJZ-UHFFFAOYSA-N 428.349 2.647 5 1 IFBF biogenic CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@H](CC(C)=O)c2cc3cc([N+](=O)[O-])ccc3nc2-1 29390843 YBZJLYCOWDIGIK-JPYJTQIMSA-N 449.419 2.508 5 1 IFBF O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 49808007 UOEHFKWXAJDSRW-UHFFFAOYSA-N 446.506 2.798 5 1 IFBF O=C(O)CCNc1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3)c2c1[N+](=O)[O-] 1772635808 WVBHXPWFPHQUHZ-UHFFFAOYSA-N 433.323 2.762 5 1 IFBF Nc1c2c(nc3c1[C@H](c1ccccc1[N+](=O)[O-])n1c(=O)c4ccccc4c(=O)n1-3)CCCC2 1857753375 MFGCQLVIQBCFAG-NRFANRHFSA-N 441.447 2.868 5 1 IFBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2ccc(I)cn12 96939353 BBFXEMHLNMDRCN-UHFFFAOYSA-N 443.222 2.821 5 1 IFBF COc1ccccc1N1CCN(CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 1772590254 CRNRHSZDXOBMRL-UHFFFAOYSA-N 425.533 2.548 5 1 IFBF COc1cc([C@H]2Oc3ccc4c(=O)c5c(O)cc(O)cc5oc4c3O[C@H]2CO)ccc1O 13381030 VNTNHKPOVKPWIP-GHTZIAJQSA-N 438.388 2.945 5 1 IFBF biogenic O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1 64436565 SJWDBKWBFHCWPA-SFHVURJKSA-N 431.861 2.903 5 1 IFBF CCOC(=O)[C@H]1C(C)=NC(Cn2ccnc2)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726919 DJSCKESSIRHMNX-ZWKOTPCHSA-N 426.429 2.656 5 1 IFBF COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4049653 NSUXLMNDRGPHOH-ICSRJNTNSA-N 427.413 2.568 5 1 IFBF NC(=O)c1cc(N2CCC(c3nc4cc(F)cc(C(=O)O)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587262921 IGZIDTQZNNRABL-UHFFFAOYSA-N 427.392 2.791 5 1 IFBF COc1c(O)ccc2c1O[C@@H](CO)[C@@H]2Oc1ccc2c(=O)oc3cc(O)ccc3c2c1O 13461118 PMSRLQCWGSYPEB-FXAWDEMLSA-N 438.388 2.945 5 1 IFBF biogenic NC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086053 QLKKOPULUPIHHC-OAHLLOKOSA-N 426.454 2.519 5 1 IFBF CSCC(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 299859114 HNHHRCMPKIDENW-UHFFFAOYSA-N 448.448 2.595 5 1 IFBF N[C@@H](CCc1nc2c(F)cnc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587269350 BDPGWDBTYRYQAQ-NSHDSACASA-N 437.229 2.666 5 1 IFBF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587431487 FOQQQQHYHQATNT-GDZFADEHSA-N 429.381 2.953 5 1 IFBF CC(C)CC(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12 72940761 LPGZKGFSHYEZCM-LWLIDHTLSA-N 434.470 2.989 5 1 IFBF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586944573 NJMMOFQLAJTEKK-UHFFFAOYSA-N 429.252 2.851 5 1 IFBF COc1ccc([C@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1[N+](=O)[O-] 45253669 XSHPTQJFXLACMV-HXUWFJFHSA-N 431.401 2.868 5 1 IFBF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 13144707 RTRWWRFAKXNNTO-KFVVBQDRSA-N 445.479 2.628 5 1 IFBF C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1ccccc1N 82083026 VOEQQVGJUIRPKW-LBPRGKRZSA-N 425.470 2.735 5 1 IFBF COc1cc2ncnc(N3CCN(C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2cc1OC 4393879 ZIFCMJKHIXABHJ-UHFFFAOYSA-N 438.444 2.909 5 1 IFBF CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3o2)c(=O)c2cc(F)c(N3CCNCC3)nc21 43080027 PQWNFMNMXNWVME-UHFFFAOYSA-N 438.419 2.682 5 1 IFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCCN(C)C)cc2[nH]1 587265410 DISGKVPVMYNQKR-BLVKFPJESA-N 444.448 2.854 5 1 IFBF O=C(O)Cn1cc(I)c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)n1 587186530 XAWAEQYAYBSRCC-UHFFFAOYSA-N 447.576 2.677 5 1 IFBF NC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1[N+](=O)[O-] 45202619 JYVMFMWZHGVUKY-UHFFFAOYSA-N 435.444 2.808 5 1 IFBF Cc1c(Br)ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587274117 YSJGYMXEUZPTRB-GJZGRUSLSA-N 435.234 2.575 5 1 IFBF Cc1ccc2c(c1)S(=O)(=O)N=C(C(=O)N[C@H]1CC(C)(C)Oc3ccc([N+](=O)[O-])cc31)N2 84710983 YXDRBDCDJQJPIS-HNNXBMFYSA-N 444.469 2.835 5 1 IFBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587272280 MDFPZHFTHNJXBK-PMACEKPBSA-N 444.407 2.601 5 1 IFBF O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2CCOCCN1CCOCC1 40934071 DOSUEZFPIXNQNJ-UHFFFAOYSA-N 426.473 2.872 5 1 IFBF CCCNS(=O)(=O)c1c(OC)cc(OC)c2c(=O)c3cc(OC)c(OC)cc3oc12 49071554 FJDBGEGLBKLDRA-UHFFFAOYSA-N 437.470 2.669 5 1 IFBF CN1CCC[C@H]1COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085556 AUUGGTHTSMUPHU-KSSFIOAISA-N 444.513 2.960 5 1 IFBF COc1nn(CCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1[N+](=O)[O-] 587868232 IUGRZYQXUNTKPV-UHFFFAOYSA-N 440.338 2.816 5 1 IFBF Cc1ccc2c(c1)S(=O)(=O)N=C(C(=O)N[C@@H]1CC(C)(C)Oc3ccc([N+](=O)[O-])cc31)N2 84710981 YXDRBDCDJQJPIS-OAHLLOKOSA-N 444.469 2.835 5 1 IFBF Cn1c(=O)c2c(-c3ccccc3)n(-c3cc(Cl)c([N+](=O)[O-])cc3O)cc2n(C)c1=O 72139465 KFDWJOIUUXZECO-UHFFFAOYSA-N 426.816 2.962 5 3 IFBF CCNC(=O)O[C@@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccc(Cl)cc3)[C@H]12 254136476 SEONMYOZACKEOS-ZUXGEGRZSA-N 438.908 2.622 5 1 IFBF COc1ccccc1NS(=O)(=O)c1ccc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2c1 587273592 IXDTUGABZZEAQQ-UHFFFAOYSA-N 442.457 2.834 5 1 IFBF COC(=O)C(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618160 BPTBVAJPSRJOGZ-FATZIPQQSA-N 442.468 2.864 5 1 IFBF O=C(OCCCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 1772587228 BXPNQOQRPVXMIC-FQEVSTJZSA-N 447.513 2.850 5 1 IFBF CCNc1nnc(Cn2nc(Cc3ccc([N+](=O)[O-])cc3)c3onc(C)c3c2=O)s1 84617689 GNUDVCVLSQWNLP-UHFFFAOYSA-N 427.446 2.524 5 1 IFBF CCCOc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SC[C@@H](O)COC)cc1[N+](=O)[O-] 6162522 DZNBNRYHENSPFK-AWEZNQCLSA-N 440.478 2.944 5 3 IFBF CC1(C)C[C@H](NC(=O)C2=NS(=O)(=O)c3ccccc3N2)c2cc([N+](=O)[O-])ccc2O1 84651995 RYTBJQRPSOKGQS-AWEZNQCLSA-N 430.442 2.526 5 1 IFBF CCNC(=O)O[C@@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccc(Cl)cc3)[C@@H]12 254136472 SEONMYOZACKEOS-YVXPOVKHSA-N 438.908 2.622 5 1 IFBF CCOC(=O)Cn1c(=O)nc2n(-c3cccc(C(F)(F)F)c3)c3ccccc3nc-2c1=O 13755544 YJUBQDJOJDWZNL-UHFFFAOYSA-N 444.369 2.629 5 1 IFBF O=C(OCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1 13864292 JVQWLEXGZBOTFC-UHFFFAOYSA-N 438.396 2.850 5 1 IFBF CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 82135810 BGDXSOWFDYKQLD-GASCZTMLSA-N 440.504 2.718 5 1 IFBF CN(CCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1n[s+]c2[nH]ccn12 169718769 UYNFRSGDRLLHKF-UHFFFAOYSA-N 439.543 2.888 5 1 IFBF COc1cc(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c([N+](=O)[O-])cc1OC 13864295 SRLUSKSRBCDEPX-UHFFFAOYSA-N 440.456 2.661 5 1 IFBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726922 BFPYQVDFBXTHFO-MSOLQXFVSA-N 426.429 2.656 5 1 IFBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NC[C@@H](O)CO)cc1 774492 ITFDEEJFLYPASR-CYBMUJFWSA-N 447.831 2.662 5 1 IFBF CCCCOC(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CC)[C@H]1c1ncc([N+](=O)[O-])n1C 40861626 SMKIICNEQATSKE-GOSISDBHSA-N 433.509 2.775 5 1 IFBF CCOC(=O)[C@@](C(=O)O[C@H]1C[C@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)(c1ccccc1)C1CCCC1 103231444 NMNBNNRXMJKBSA-KLQWZCBBSA-N 428.549 2.978 5 1 IFBF CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cnc(O)cc2C(F)(F)F)CC1 653857020 LXARWAORRXUDTM-UHFFFAOYSA-N 425.367 2.718 5 1 IFBF COc1cc2ncnc(N3CCN(C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)c2cc1OC 13474767 OFYUFSQNMMBLFL-UHFFFAOYSA-N 438.444 2.909 5 1 IFBF CCCCCS(=O)(=O)C[C@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28014612 QWRNEHAXGDCXAX-HNNXBMFYSA-N 426.413 2.908 5 1 IFBF O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 169688227 RTRWWRFAKXNNTO-FHTPNYMGSA-N 445.479 2.628 5 1 IFBF O=C(NC1CCNCC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 96939887 WPCKTHWXJWRNOP-UHFFFAOYSA-N 440.412 2.935 5 1 IFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(C(F)(F)F)[nH]c-2n1 587263485 AJZKJDVSTMQINU-KSBSHMNSSA-N 427.299 2.674 5 1 IFBF CN1CCN(c2cnc3cccc(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)c3c2)CC1 71317638 KEKRLAUJHHXJNV-UHFFFAOYSA-N 428.470 2.663 5 1 IFBF NS(=O)(=O)c1ccc(CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 586929714 HOVCXWUNKHLBCT-UHFFFAOYSA-N 425.264 2.666 5 1 IFBF O=C1CCc2cc3c(O)nc(O)nc3nc2[C@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 587367913 AENNTNQSTAFLTI-ZDUSSCGKSA-N 448.313 2.845 5 1 IFBF CO[C@@H]1[C@H](OC(=O)NCCC[N+](C)(C)C)CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C 45245084 YSXQGIUWVWIQSE-NFOZHWPDSA-O 425.590 2.885 5 1 IFBF CN(C)CCNc1ccc2c(c1)c(=O)n(CCN(C)C)c1c3cc4c(cc3ncc21)OCO4 45498525 APIQRTRDOJMIQH-UHFFFAOYSA-N 447.539 2.967 5 1 IFBF COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 29390334 CWPRAFYRGKYFIO-UHFFFAOYSA-N 439.512 2.850 5 1 IFBF CN(C)C[C@H](O)COc1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3O)n2)cc1 45231028 QMUIWAXTGGBBKF-HNNXBMFYSA-N 440.460 2.879 5 1 IFBF CS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 586924418 ABHCBQZGMRHYTQ-UHFFFAOYSA-N 429.863 2.599 5 1 IFBF CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5ccc([N+](=O)[O-])cc5oc2c34)CC1 1772619191 HAXPEXLVBPFGTD-UHFFFAOYSA-N 440.387 2.696 5 1 IFBF CN1CCN(CC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)CC1 96258334 HJDPCBUZHOJABL-UHFFFAOYSA-N 440.507 2.668 5 1 IFBF CC(C)Cc1n[nH]c2c(=O)n(NC(=O)c3ccncc3)c(-c3cccc([N+](=O)[O-])c3)nc12 49033319 SBEPCMMDPKWGTP-UHFFFAOYSA-N 433.428 2.672 5 1 IFBF Cc1ccccc1N(C)C(=O)COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1 206493723 DATJHLVHSQNFET-UHFFFAOYSA-N 427.442 2.992 5 3 IFBF CC(C)=C(C(=O)OC(C)(C)C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)[C@H]1S(C)(=O)=O 29254308 CWVIAJKEQSMTNW-VHUCWBOISA-N 436.486 2.827 5 1 IFBF COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 767144 IKFJEBHMFQEDHD-PZJWPPBQSA-N 441.440 2.563 5 1 IFBF COc1cc(-n2nnnc2SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(OC)c1OC 169331402 BIHJWWXVDADLKF-UHFFFAOYSA-N 448.417 2.797 5 1 IFBF COc1nn([C@@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1[N+](=O)[O-] 587868750 RZDJFRJSRFXTBR-VIFPVBQESA-N 440.338 2.987 5 1 IFBF CC1=C[C@]2(NCCc3ccc(C(=O)N(C)C)cc32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] 962928484 YPIVFGZGPVAGQN-HSZRJFAPSA-N 449.467 2.502 5 1 IFBF CCNC(=N)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 71281331 KVJHUVGOJSXDCW-UHFFFAOYSA-N 427.490 2.968 5 1 IFBF CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1 40894775 ZMQSMQZDTKLJAQ-JRVGGCGHSA-N 426.425 2.579 5 1 IFBF CC(=O)NCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134878 UYJUZDVQTBGUCP-IFXJQAMLSA-N 440.504 2.908 5 1 IFBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)N(C)C)c2c1 587621493 UXZURYSXNWOKFZ-UHFFFAOYSA-N 432.458 2.896 5 1 IFBF COc1ccc([C@H]2[C@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 26172127 QGJLKHPPBNNBCA-ICSRJNTNSA-N 446.412 2.649 5 1 IFBF O=[N+]([O-])c1ccc(-c2nnc(N3CCN(c4ccc(C5=NCCCN5)cc4)CC3)s2)o1 71295578 WZDWHCWPIOTECO-UHFFFAOYSA-N 439.501 2.773 5 1 IFBF O=C(C1CC1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 210466905 RIIKRRPMHMXEAF-UHFFFAOYSA-N 428.392 2.642 5 1 IFBF COc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc(OC)c1 201444637 IJBKHVZQXCHRAS-AWEZNQCLSA-N 449.485 2.651 5 3 IFBF COc1c(O)ccc2c1O[C@H](CO)[C@@H]2Oc1ccc2c(=O)oc3cc(O)ccc3c2c1O 13461115 PMSRLQCWGSYPEB-YLJYHZDGSA-N 438.388 2.945 5 1 IFBF biogenic CCO[C@@H]1c2cc3c([N+](=O)[O-])cccc3nc2-c2cc3c(c(=O)n21)COC(=O)[C@]3(O)CC 27193147 SIFMTKFSJGQHQQ-IRLDBZIGSA-N 437.408 2.523 5 1 IFBF COc1ccc([C@H]2[C@@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 26172118 QGJLKHPPBNNBCA-AZUAARDMSA-N 446.412 2.649 5 1 IFBF COc1cc2c(=O)n(CCCN3CCOCC3)c3c4ccccc4[nH]c(=O)c3c2cc1OC 66263730 UHAZIBLIWGJAKH-UHFFFAOYSA-N 449.507 2.736 5 1 IFBF COc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cc1F 586940965 LNKPKONWXUMVKS-UHFFFAOYSA-N 426.451 2.819 5 1 IFBF CCOc1cc([C@@H]2NCCc3c2c(C(C)C)nn3C)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 962907801 JBPNKLCZIAYPGR-BUXKBTBVSA-N 432.477 2.937 5 1 IFBF C[C@]1(CN2CCc3nc(N4CCC(F)(F)CC4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857571058 KBOBOEWAIIRTIP-IBGZPJMESA-N 434.447 2.631 5 1 IFBF COc1cc(O)c2c(=O)c3cc(N)c(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 28572672 XPPLVGGOTCAKSI-UHFFFAOYSA-N 431.496 2.710 5 1 IFBF NCCOC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 82081853 BKKAUNGRZYBFEK-UHFFFAOYSA-N 426.454 2.764 5 1 IFBF O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCCCNc2n[s+]c3[nH]ccn23)c1 169718770 RXGLVSHBKVSJOO-UHFFFAOYSA-N 425.516 2.864 5 1 IFBF CCNC(=O)O[C@@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@](O)(CC)c3ccc(Cl)cc3)[C@@H]12 254136464 SEONMYOZACKEOS-CVOKININSA-N 438.908 2.622 5 1 IFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 586919703 FDVKQNQVFDIOLD-UHFFFAOYSA-N 449.388 2.739 5 1 IFBF COc1ccc([C@@H]2[C@@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 26172113 QGJLKHPPBNNBCA-UYAOXDASSA-N 446.412 2.649 5 1 IFBF O=C(c1ccc([N+](=O)[O-])cc1)[C@@H](CC1=CN2C=CN=C[C@H]2N1)S(=O)(=O)c1ccccc1 101111542 XPFIWJFTUXOLFB-UXHICEINSA-N 438.465 2.638 5 1 IFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)nn2)c1 587268944 DYCPHVPKGFCCIS-UHFFFAOYSA-N 429.400 2.778 5 1 IFBF CC(=O)CCN1CCc2cc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2C1 1857769171 OTODSMFIEFSZII-UHFFFAOYSA-N 426.429 2.770 5 1 IFBF CN1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccccc1 253658893 BCEJGVZVCAOAKK-IBGZPJMESA-N 449.467 2.831 5 1 IFBF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c3ccccc3c3ccccc3c2[nH]1 587217358 BDRQDQKQTBFJJI-IRXDYDNUSA-N 434.452 2.693 5 1 IFBF O=[N+]([O-])c1cc(-c2nc3cc(I)cnc3[nH]2)nn1CC(F)(F)F 587091097 AUWLITBQOAZEEA-UHFFFAOYSA-N 438.107 2.897 5 1 IFBF CCO/C(O)=C1\C(COCCN(C)C)=NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 29404506 QPPLBHWDQFBYJS-ABDBUPHLSA-N 447.488 2.964 5 1 IFBF CS(=O)(=O)c1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1 45256902 YPWFEJXEYCZJCI-KRWDZBQOSA-N 429.454 2.840 5 1 IFBF O=C(c1ccc([N+](=O)[O-])cc1)[C@H](CC1=CN2C=CN=C[C@@H]2N1)S(=O)(=O)c1ccccc1 101111533 XPFIWJFTUXOLFB-VQTJNVASSA-N 438.465 2.638 5 1 IFBF CN1CCN(CC(=O)Nc2ccc(Nc3cc(=O)oc4ccc([N+](=O)[O-])cc34)cc2)CC1 1857562417 FYRWBTLRXHGXGD-UHFFFAOYSA-N 437.456 2.631 5 1 IFBF COC(=O)C1=C(C[S@@](=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ON(C)[C@@H]1c1ccccc1 5813122 FPJKDKRFARAODR-OKXSDPAFSA-N 447.425 2.656 5 1 IFBF COc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1OCC(=O)NC(C)C 587219178 MZBWZLDIAPLGBZ-UHFFFAOYSA-N 429.389 2.958 5 1 IFBF Cc1ncc([N+](=O)[O-])n1C[C@H](O)CN1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O 1857541607 UEENBTCGFHLQIH-HNNXBMFYSA-N 449.467 2.510 5 1 IFBF C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccccc1N 82082810 RJKADXJLEFPOPP-GFCCVEGCSA-N 425.470 2.735 5 1 IFBF CN(C)/C=C\[C@]1(c2nn(C)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572816 AAFRHJRCWQIUIB-RQOICEEUSA-N 436.424 2.966 5 1 IFBF O=C(NC[C@@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 773878 FPZOUKDKTWDPBF-CYBMUJFWSA-N 435.795 2.792 5 1 IFBF O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 84689583 HEFQNZROVSEKSA-UHFFFAOYSA-N 447.317 2.593 5 1 IFBF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587229415 APNGXQBUKYVSSE-UHFFFAOYSA-N 429.408 2.558 5 1 IFBF COc1ccc(OC)c(Nc2nccnc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 299822894 PTFWVPNTUWJYAK-UHFFFAOYSA-N 431.430 2.946 5 1 IFBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(I)cnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263884 OTRBMBPCDZDFDE-BWZBUEFSSA-N 448.648 2.876 5 1 IFBF COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049659 GYIFHEOOKGLGLF-PZJWPPBQSA-N 443.456 2.857 5 1 IFBF CCNC(=O)O[C@@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@](O)(CC)c3ccc(Cl)cc3)[C@H]12 254136469 SEONMYOZACKEOS-WXFMPLRXSA-N 438.908 2.622 5 1 IFBF CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N(C)C 771644 VOTHDHVARMOMMV-AZUAARDMSA-N 427.413 2.902 5 1 IFBF CC(=O)NCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149830 SFUWPOOWMAOBEH-HUUCEWRRSA-N 440.504 2.718 5 1 IFBF COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC 4076964 AAEGRPKEDBRODX-CTNGQTDRSA-N 442.472 2.858 5 1 IFBF O=C1NCc2c1c1c3cc(CO)ccc3n3c1c1c2c2cc(CO)ccc2n1C[C@H](CO)C3 28819558 IJTRBCMMSIRTDG-HNNXBMFYSA-N 441.487 2.753 5 1 IFBF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587431490 FOQQQQHYHQATNT-QZBIMVINSA-N 429.381 2.953 5 1 IFBF CN(C)c1cccc(C(=O)OC[C@]2(CO)C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 40893860 XXBDTXRLNOWZQH-CQTHNFAISA-N 426.425 2.579 5 1 IFBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c3cccnc3c3ncccc3c2[nH]1 587271716 GJACZEZGWCGVFO-PMACEKPBSA-N 444.407 2.601 5 1 IFBF COc1cc(Nc2nccnc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1 299822866 PFFSMELYUYZEPB-UHFFFAOYSA-N 431.430 2.946 5 1 IFBF COC(=O)c1cc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2cc1OC 586925896 KEXZPJQUILSITH-UHFFFAOYSA-N 439.833 2.990 5 1 IFBF COC1=C(OCc2ccc([N+](=O)[O-])cc2)/C(=C/CN2CNc3c(Cl)ncnc32)OC1=O 28637052 AOFMIRTYWIZYGI-MLPAPPSSSA-N 445.819 2.743 5 1 IFBF CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCO)cc1 4041387 JHQBPBXEOANUBR-MJGOQNOKSA-N 432.864 2.515 5 1 IFBF COc1cc([C@H]2Oc3ccc4c(=O)c5c(O)cc(O)cc5oc4c3O[C@@H]2CO)ccc1O 13381032 VNTNHKPOVKPWIP-WIYYLYMNSA-N 438.388 2.945 5 1 IFBF biogenic CCN(CC)c1ccc(-c2nn(-c3ncc([N+](=O)[O-])c(N)n3)c(=O)c3ccccc23)c(O)c1 587667126 HHGOTGBLOOIBKA-UHFFFAOYSA-N 447.455 2.885 5 1 IFBF CN(C)CCNC(=O)c1ccc2c3c1nc1ccc(O)cc1c3[nH]n2CCN1CCCC1 26995922 OEZYBIXLAGZEJI-UHFFFAOYSA-N 434.544 2.764 5 1 IFBF COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC[C@@H]3CCCO3)n2)cc1[N+](=O)[O-] 82193473 QROVUZHGJJFWCZ-HOCLYGCPSA-N 432.502 2.991 5 1 IFBF CCOC(=O)C1CCN(c2ncnc(Oc3ccc(-n4cncn4)cc3)c2[N+](=O)[O-])CC1 40846102 BEQXVWQBFMRYNW-UHFFFAOYSA-N 439.432 2.537 5 1 IFBF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587228112 GDYADVVYWFNLLI-UHFFFAOYSA-N 428.361 2.878 5 1 IFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587267204 VOHMNRYIDJHPEH-LZVRBXCZSA-N 426.389 2.798 5 1 IFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@@H](c1ccc(OC(F)(F)F)cc1)c1ncco1)C2 72178898 IGZHXOGBMHNTJM-FZMZJTMJSA-N 425.323 2.818 5 1 IFBF C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccccc1N 82082807 RJKADXJLEFPOPP-LBPRGKRZSA-N 425.470 2.735 5 1 IFBF CN(C)/C=C\[C@]1(c2nn(C)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572819 AAFRHJRCWQIUIB-VJAUGBAPSA-N 436.424 2.966 5 1 IFBF O=[N+]([O-])c1ccccc1CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 1772657087 ZEWZRCNXHOUXDN-UHFFFAOYSA-N 437.548 2.907 5 1 IFBF O=C(O)C[C@@](O)(C[C@H](O)CCCCCn1cc([N+](=O)[O-])c2cc(Cl)ccc21)C(=O)O 13781092 ZQFRHKZYLKOXHP-YJYMSZOUSA-N 442.852 2.805 5 1 IFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587267203 VOHMNRYIDJHPEH-DYBLOJMWSA-N 426.389 2.798 5 1 IFBF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c1 586938637 KYJOARUMXMJTIY-UHFFFAOYSA-N 428.268 2.915 5 1 IFBF CCOC(=O)C1=C(/C=C/C(=O)OC)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 169723454 LNWOHNLEVXIMLN-ONNQBUSKSA-N 444.440 2.879 5 1 IFBF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)C(C)C)cc1 586936725 JWLKGZCZHWGXOL-GOSISDBHSA-N 445.501 2.783 5 1 IFBF CC(=O)O[C@@H](c1ccc(Br)cc1)[C@@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C 40424242 QOMZZLNQZJXGGK-LSDHHAIUSA-N 426.223 2.999 5 1 IFBF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)C(C)C)cc1 586936726 JWLKGZCZHWGXOL-SFHVURJKSA-N 445.501 2.783 5 1 IFBF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c3ccccc3c3ccccc3c2[nH]1 587217357 BDRQDQKQTBFJJI-IAGOWNOFSA-N 434.452 2.693 5 1 IFBF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586944591 NSOXHLFEOAODDP-UHFFFAOYSA-N 429.252 2.851 5 1 IFBF CCOc1cc([C@H]2NCCc3c2c(C(C)C)nn3C)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 962907806 JBPNKLCZIAYPGR-HXPMCKFVSA-N 432.477 2.937 5 1 IFBF COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc([N+](=O)[O-])cn23)CC1 1857656706 OBQVRSOKHMWBDS-UHFFFAOYSA-N 443.891 2.854 5 1 IFBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(O)ncnc2[nH]1 586949169 SMOSATDVJPXDSP-UHFFFAOYSA-N 426.414 2.743 5 1 IFBF COc1nn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] 587657501 YFHZQBNVHOYHAG-UHFFFAOYSA-N 441.350 2.795 5 1 IFBF O=C(OCCCc1cccnc1)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 66102447 XAAHWACETUTGKH-LJQANCHMSA-N 433.486 2.709 5 1 IFBF N[C@@H](CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271034 XPKYWARSYMBEBR-VIFPVBQESA-N 443.773 2.784 5 1 IFBF O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCCO 299852961 ZZMHNXWCTVWJTC-OOSNJVJTSA-N 437.562 2.621 5 1 IFBF CC(=O)NCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 82135812 BGDXSOWFDYKQLD-HUUCEWRRSA-N 440.504 2.718 5 1 IFBF COc1cc(-c2nnc(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC 28648996 GVELKUPDYFEJOD-UHFFFAOYSA-N 435.414 2.645 5 1 IFBF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 587275120 VQPQSOOEULJISS-UHFFFAOYSA-N 428.430 2.681 5 1 IFBF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4051963 QBFYCQGCPBSCLE-ICSRJNTNSA-N 441.440 2.550 5 1 IFBF COc1cc(OC)c2[nH]c(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)nc2c1 586940872 ISRINHVEMZBQHP-UHFFFAOYSA-N 438.487 2.689 5 1 IFBF CN(C)c1cccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 40394350 IFUHJQQTVGZDOT-IHSQGBLNSA-N 426.425 2.579 5 1 IFBF CN(C)c1ccccc1C(=O)OC[C@@]1(CO)C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O1 40394615 DLAPMOQPJFXTOG-VROYLXGSSA-N 426.425 2.579 5 1 IFBF CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 42878221 PDFSDYZOTUUNJY-BVZCLVNKSA-N 426.425 2.579 5 1 IFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587267206 VOHMNRYIDJHPEH-NIVTXAMTSA-N 426.389 2.798 5 1 IFBF O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1ccccc1Cl 64516709 ANZIGEZBGDGXRK-GOSISDBHSA-N 431.861 2.903 5 1 IFBF COC(=O)C1=C(C[S@@](=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ON(C)[C@H]1c1ccccc1 5813123 FPJKDKRFARAODR-DRKIFQHWSA-N 447.425 2.656 5 1 IFBF NCCNCCCCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4 96932825 CYXMLEKFIXIOOD-UHFFFAOYSA-N 449.467 2.668 5 1 IFBF CCS(=O)(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 587266915 QIJMABZUGGCLJC-BTDLBPIBSA-N 449.445 2.707 5 1 IFBF CC(=O)Nc1ccc(NC[C@@H](O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 13581033 YUUHPNXUJUPSPB-MRXNPFEDSA-N 426.351 2.984 5 1 IFBF CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(CCF)c4)cc3c(=O)c2c1 72107639 ILICPPXYSXACBA-UHFFFAOYSA-N 441.488 2.800 5 1 IFBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(N)ncnc2[nH]1 586949427 WDFMIRJZMYMMHM-UHFFFAOYSA-N 425.430 2.620 5 1 IFBF CCOC(=O)C1=C(NC(=O)C(C)C)OC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 96272074 ZTHKKXRUWPXBOP-INIZCTEOSA-N 432.429 2.703 5 1 IFBF COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049658 GYIFHEOOKGLGLF-CTNGQTDRSA-N 443.456 2.857 5 1 IFBF CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCO 4152624 YPURXFRMLXATIF-PKOBYXMFSA-N 433.848 2.847 5 1 IFBF O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1ccccc1Cl 64516711 ANZIGEZBGDGXRK-SFHVURJKSA-N 431.861 2.903 5 1 IFBF CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N(C)C 4204563 VOTHDHVARMOMMV-QUCCMNQESA-N 427.413 2.902 5 1 IFBF CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1857594223 JICFSNLJDHMEAM-MRXNPFEDSA-N 446.460 2.702 5 1 IFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(C(F)(F)F)[nH]c-2n1 587263484 AJZKJDVSTMQINU-KGFZYKRKSA-N 427.299 2.674 5 1 IFBF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc([N+](=O)[O-])nn4C)[nH]c3c2)cc1 587274774 MACBMFPERRTETA-UHFFFAOYSA-N 428.430 2.681 5 1 IFBF O=C(c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1)N1CCN(CCO)CC1 587139075 FFQLHCDBVDYDGF-UHFFFAOYSA-N 447.854 2.681 5 1 IFBF C[C@@H](n1nnc2c(ccc3ccccc32)c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 1911579638 SPCLYUGNHYGCDT-QKFKETGDSA-N 448.433 2.963 5 1 IFBF CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4076921 FKGNQFVOJBCXBC-QUCCMNQESA-N 426.429 2.570 5 1 IFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 586919906 IZTGGQOZFZKTEB-UHFFFAOYSA-N 440.441 2.504 5 1 IFBF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@@H](CC(C)=O)c2cc3cc([N+](=O)[O-])ccc3nc2-1 29390846 YBZJLYCOWDIGIK-MBSDFSHPSA-N 449.419 2.508 5 1 IFBF CC[C@@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135782 WRGNIRYEEZRUGA-CQSZACIVSA-N 426.477 2.567 5 1 IFBF CSc1ccc(S(=O)(=O)NCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] 586941145 ORQQXWUYDSQLAK-UHFFFAOYSA-N 440.434 2.509 5 1 IFBF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586958761 LKIKXMATFCYQKL-HNNXBMFYSA-N 441.263 2.703 5 1 IFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@H](c1ccc(OC(F)(F)F)cc1)c1ncco1)C2 72178899 IGZHXOGBMHNTJM-SMDDNHRTSA-N 425.323 2.818 5 1 IFBF CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccc(Cl)cc3)[C@@H]12 5767214 SEONMYOZACKEOS-DKGIJPSRSA-N 438.908 2.622 5 1 IFBF C[C@](O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28013028 HSGAFOSEUZZAIR-INIZCTEOSA-N 432.376 2.777 5 1 IFBF O=C1NCc2c1c1c3cc(CO)ccc3n3c1c1c2c2cc(CO)ccc2n1C[C@@H](CO)C3 28819557 IJTRBCMMSIRTDG-OAHLLOKOSA-N 441.487 2.753 5 1 IFBF CN1CCN(c2ccc3nc(-c4cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c4)[nH]c3c2)CC1 586924534 BFWHJQYYGXGRFI-UHFFFAOYSA-N 449.920 2.947 5 1 IFBF CCOC(=O)C1=C(C)NC(/C=C\C(=O)OC)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 64303482 NFZXRMVDNPOQBF-GDWUOILNSA-N 444.440 2.665 5 1 IFBF CC(=O)O[C@H](c1ccc(Br)cc1)[C@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C 40424241 QOMZZLNQZJXGGK-CABCVRRESA-N 426.223 2.999 5 1 IFBF Cc1cc(=O)oc2c1ccc1c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cccc12 84616246 HGYXQDREOMUPQE-UHFFFAOYSA-N 438.461 2.920 5 1 IFBF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587207382 SCDPZHBYGADINV-CYBMUJFWSA-N 429.345 2.822 5 1 IFBF CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 770150 FKGNQFVOJBCXBC-AZUAARDMSA-N 426.429 2.570 5 1 IFBF CC[C@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82150014 YEGNGZUGWOCYEO-AWEZNQCLSA-N 426.477 2.567 5 1 IFBF CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 42920104 PDFSDYZOTUUNJY-CJBPROBKSA-N 426.425 2.579 5 1 IFBF CC(C)=C(C(=O)OC(C)(C)C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1S(C)(=O)=O 29254301 CWVIAJKEQSMTNW-RXBGNRNISA-N 436.486 2.827 5 1 IFBF CN(C)CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081491 UDWGNNKOCANZOO-HNNXBMFYSA-N 432.502 2.675 5 1 IFBF CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 770148 FKGNQFVOJBCXBC-ICSRJNTNSA-N 426.429 2.570 5 1 IFBF COC(=O)C1=C(C[S@](=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ON(C)[C@@H]1c1ccccc1 17191194 FPJKDKRFARAODR-WTPASJBYSA-N 447.425 2.656 5 1 IFBF O=[N+]([O-])c1ccc(CN2C[C@H]3CN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)C[C@@H]3C2)o1 1857756714 DOJKIHIINYOOBA-STQMWFEESA-N 445.419 2.959 5 1 IFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587267208 VOHMNRYIDJHPEH-YYSFKGJASA-N 426.389 2.798 5 1 IFBF CC(C)(C)OC(=O)N1CCN(c2nc(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3s2)CC1 96910462 ZBNJDBMPYVEUDK-UHFFFAOYSA-N 437.434 2.530 5 1 IFBF C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1CCCCN1C(=O)CCCC1=O 73197033 QSHMWXGXHLDTKK-QGZVFWFLSA-N 439.516 2.973 5 1 IFBF CCOC(=O)[C@@H]1C(C)=NC(Cn2ccnc2)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 169726920 DJSCKESSIRHMNX-MSOLQXFVSA-N 426.429 2.656 5 1 IFBF O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1F 586942257 JBHADSYCHITQLZ-UHFFFAOYSA-N 435.256 2.913 5 1 IFBF O=C1NC2(C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ccccc12 299850931 DELBJUIUKATQKJ-UHFFFAOYSA-N 435.417 2.760 5 1 IFBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@]3(C(=O)Nc4cc(F)c([N+](=O)[O-])cc43)N12 962674663 VTDYHRWUZVVILF-YADHBBJMSA-N 436.399 2.576 5 1 IFBF CCOC(=O)[C@H]1C(C)=NC(Cn2ccnc2)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 169726921 DJSCKESSIRHMNX-ROUUACIJSA-N 426.429 2.656 5 1 IFBF CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c3c4cc5c(cc4ncc3c2c1)OCO5 40421483 IRCMQKKHKYUNMQ-UHFFFAOYSA-N 447.539 2.967 5 1 IFBF CCOC(=O)C1=C(C)NC(/C=C/C(=O)OC)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 49069086 NFZXRMVDNPOQBF-GNISGLHKSA-N 444.440 2.665 5 1 IFBF CC(=O)NCCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135925 LYPIBQPXECOHBC-UHFFFAOYSA-N 440.504 2.910 5 1 IFBF O=c1oc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2c(O)c1[N+](=O)[O-] 29236214 SWSSTSABKSUKHP-UHFFFAOYSA-N 439.468 2.994 5 1 IFBF Cc1onc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079313 IWEDUCUFZUHBKO-UHFFFAOYSA-N 429.780 2.664 5 1 IFBF C[N+](C)(C)CCc1cc(I)c(O)c(I)c1 1857569732 GNQYHPWZUNAXNI-UHFFFAOYSA-O 432.063 2.850 5 1 IFBF CN(C)CCC(=O)NCc1cccc2cc3cccc(CNC(=O)CCN(C)C)c3nc12 45299298 HWTROEPEYGKVFD-UHFFFAOYSA-N 435.572 2.524 5 1 IFBF NCC(=O)N1CCn2c3c(cccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C1 14945566 CDRZODHERXGITD-UHFFFAOYSA-N 437.459 2.614 5 1 IFBF NC(=O)c1cc(N2CCC(c3nc4cc(C(=O)O)c(F)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262565 CNVNEZGGOVIYFQ-UHFFFAOYSA-N 427.392 2.791 5 1 IFBF COc1cc([C@@H]2[C@H]([N+](=O)[O-])[C@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC 299849619 ORXDFUWHEQWFNV-UGTJMOTHSA-N 439.468 2.767 5 1 IFBF Cc1nc2onc(-c3ccc([N+](=O)[O-])cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1 299867156 XMNNWGQEUGUKKJ-UHFFFAOYSA-N 447.407 2.621 5 1 IFBF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587431489 FOQQQQHYHQATNT-KLSHDWIQSA-N 429.381 2.953 5 1 IFBF CCOc1ccc(C(=O)CN2C=C(I)C=C[C]2N)cc1[N+](=O)[O-] 2356833353 RHJHCFAFGHOUHW-UHFFFAOYSA-N 428.206 2.773 5 1 IFBF COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13833649 FXSFCIZZSPZFCD-PBHICJAKSA-N 438.845 2.690 5 1 IFBF O=c1c2ccccc2oc2c(OC[C@H](O)CN3CCN(c4ccccn4)CC3)cccc12 1857537269 ZLRIVROCCIUETC-GOSISDBHSA-N 431.492 2.903 5 1 IFBF CCOC(=O)C1=C(COC(C)=O)N=C(C)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 78821592 HNTQQWTUQMNSBI-ZWKOTPCHSA-N 432.429 2.713 5 1 IFBF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049060 LLQLAEOBQNZAIE-ZKYUUJBMSA-N 443.456 2.591 5 1 IFBF Cn1nc(C(=O)O)c(I)c1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 587179842 HMEQOWLUPDOIEM-UHFFFAOYSA-N 447.576 2.828 5 1 IFBF COc1c(N2C[C@H](C)O[C@@H](C)C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 29123110 XMMNBHIHHMYICW-UWVGGRQHSA-N 435.408 2.704 5 1 IFBF O=C(c1nc2c([nH]1)c1oc(=O)[nH]c1c1oc(=O)[nH]c21)N1CCC(Cc2ccccc2)CC1 36294473 IJYMQTPAPYYNKS-UHFFFAOYSA-N 433.424 2.527 5 1 IFBF CCCCOC(=O)COC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82083969 SHLQPEBPFOAMON-GFCCVEGCSA-N 435.458 2.723 5 1 IFBF Nc1c2c(nc3c1[C@@H](c1cccc([N+](=O)[O-])c1)n1c(=O)c4ccccc4c(=O)n1-3)CCCC2 1857639118 IJJDUTAIZOTZOQ-OAQYLSRUSA-N 441.447 2.868 5 1 IFBF O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2c(=O)nc(S)[nH]c2[nH]1)c1ccccc1 5545741 GGIBOCMTZLLFAY-UVTDQMKNSA-N 434.437 2.771 5 1 IFBF C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C[C@@H](C)O1 28868003 KPXUCNGZFADDEW-VXGBXAGGSA-N 442.403 2.745 5 1 IFBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N(C)CCO)c2c1 587621274 RQBZZUJLRAHDRY-UHFFFAOYSA-N 434.474 2.622 5 1 IFBF COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC 4076949 AAEGRPKEDBRODX-TZIWHRDSSA-N 442.472 2.858 5 1 IFBF CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1 40894778 ZMQSMQZDTKLJAQ-BVZCLVNKSA-N 426.425 2.579 5 1 IFBF COC(=O)C1(c2ccccc2)CCN(CCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 29347680 JVWYCGQDBYDWDA-UHFFFAOYSA-N 439.512 2.850 5 1 IFBF CN(C)c1cccc(C(=O)OC[C@@]2(CO)C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 40893863 XXBDTXRLNOWZQH-IXNCKXOBSA-N 426.425 2.579 5 1 IFBF C[N+](C)(C)CCCCCC[N@@+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 299827161 GHJAWSFCIDDAHY-JSHAMVLMSA-N 446.632 2.700 5 1 IFBF O=C(OCCCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 1772571595 YFNFKRXELHVVFX-FQEVSTJZSA-N 447.513 2.850 5 1 IFBF COc1c(O)ccc2c1O[C@@H](CO)[C@H]2Oc1ccc2c(=O)oc3cc(O)ccc3c2c1O 13461122 PMSRLQCWGSYPEB-PXNSSMCTSA-N 438.388 2.945 5 1 IFBF biogenic CC(=O)N1CCN(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135514 GWKSUZMJMISOKK-UHFFFAOYSA-N 438.488 2.711 5 1 IFBF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1 587267896 HYOFBKQWCRZFFY-UHFFFAOYSA-N 440.441 2.925 5 1 IFBF Cc1cn([C@H]2C[C@H](NC(=O)c3c4ccccc4cc4ccccc34)[C@@H](CO)O2)c(=O)nc1O 473133961 ABOGAJDPVPYUGH-PWRODBHTSA-N 445.475 2.642 5 1 IFBF C[N+](C)(C)CCCCCC[N@+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 299827157 GHJAWSFCIDDAHY-GQWOLCGKSA-N 446.632 2.700 5 1 IFBF CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149825 SFUWPOOWMAOBEH-GASCZTMLSA-N 440.504 2.718 5 1 IFBF COc1ccc(-c2nnc(NC(=S)NC(=O)COc3ccc([N+](=O)[O-])cc3)o2)cc1 103169524 BTSMWWASFKZGAU-UHFFFAOYSA-N 429.414 2.545 5 1 IFBF O=C(O)CCC(=O)O[C@@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O 31905066 QALQAIWAHFERNQ-IBGZPJMESA-N 431.788 2.772 5 1 IFBF CN(C)c1ccccc1C(=O)OC[C@@]1(CO)C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1 40891854 IPVIQFGGNFHDIO-GSTVHYHFSA-N 426.425 2.579 5 1 IFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587266362 ZTBYKXVXRZRNCF-JTQLQIEISA-N 434.434 2.803 5 1 IFBF Cc1[nH]c(=O)nc(NCCNCCO)c1C(=O)Nc1cccc2cc3ccccc3cc12 1647200 NFDFVCRJQZFRGP-UHFFFAOYSA-N 431.496 2.631 5 1 IFBF CCOC(=O)C1CCN(c2ncnc(Oc3ccc(OCCOC)cc3)c2[N+](=O)[O-])CC1 40980535 WJXYIQLAOGCMND-UHFFFAOYSA-N 446.460 2.982 5 1 IFBF CC(=O)NCCNC(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82136119 PCBBLRIGMNVLPJ-UHFFFAOYSA-N 434.456 2.530 5 1 IFBF COc1cc2c(cc1OC)CN(CCn1cc(COc3ccc([N+](=O)[O-])cc3)nn1)CC2 653721932 MLAAKQKWJKBBGI-UHFFFAOYSA-N 439.472 2.841 5 1 IFBF COc1cc2c(=O)n(CCn3ccnc3)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 29044999 DIFAAMUVGKAQIF-UHFFFAOYSA-N 445.435 2.741 5 1 IFBF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@]3(C(=O)Nc4cc(F)c([N+](=O)[O-])cc43)N12 962674649 VTDYHRWUZVVILF-FCHUYYIVSA-N 436.399 2.576 5 1 IFBF O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@H](OCc1ccc(OCc3ccccc3)cc1)C2 40919115 XSTXGIIZMXYPDJ-GOSISDBHSA-N 429.454 2.743 5 1 IFBF NC(=O)c1cccc2nc3c4c(ccc3nc12)[C@H]1c2nc3c(O)cccc3nc2C[C@H]4[C@@H]1O 2356323993 GXPOPLPOQDCTPY-WJGMRIAGSA-N 435.443 2.677 5 1 IFBF CN1CCC[C@H]1COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085445 ROJNABWSAVJXQA-WMZOPIPTSA-N 444.513 2.960 5 1 IFBF CCCCOC(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CC)[C@@H]1c1ncc([N+](=O)[O-])n1C 40861624 SMKIICNEQATSKE-SFHVURJKSA-N 433.509 2.775 5 1 IFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCCN(C)C)cc2[nH]1 587265414 DISGKVPVMYNQKR-CWTRNNRKSA-N 444.448 2.854 5 1 IFBF CCC(=O)O[C@@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1 602091 DWWLEJVEBYDPHM-HSZRJFAPSA-N 449.419 2.949 5 1 IFBF investigational COC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)N(C(=O)OC)N=C1c1cccc([N+](=O)[O-])c1 96937993 QGSCENOUHKYGTJ-UHFFFAOYSA-N 442.344 2.677 5 1 IFBF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586958763 LKIKXMATFCYQKL-OAHLLOKOSA-N 441.263 2.703 5 1 IFBF NC(=O)c1cccc2nc3c4c(ccc3nc12)[C@H]1c2nc3c(O)cccc3nc2C[C@@H]4[C@@H]1O 1857564298 GXPOPLPOQDCTPY-JGWMJADOSA-N 435.443 2.677 5 1 IFBF COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 4051358 IKFJEBHMFQEDHD-TZIWHRDSSA-N 441.440 2.563 5 1 IFBF CCOC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 1772637630 PNNOENQRMKNOMV-UHFFFAOYSA-N 430.436 2.915 5 1 IFBF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587091015 FNPWBZAYEFDTFM-UHFFFAOYSA-N 446.411 2.927 5 1 IFBF Cc1cc(Br)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 587272247 LSJJJHFXUIVMPL-GJZGRUSLSA-N 435.234 2.575 5 1 IFBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 169726923 BFPYQVDFBXTHFO-QZTJIDSGSA-N 426.429 2.656 5 1 IFBF Cc1ccc(NC(=S)NC(=O)c2cn(CCO)c3c(cc(O)c4ncccc43)c2=O)cc1 103288190 OSTWBMIWDYJAPP-UHFFFAOYSA-N 448.504 2.683 5 1 IFBF NC(=O)c1cccc2nc3c4c(ccc3nc12)[C@H]1c2nc3c(O)cccc3nc2C[C@H]4[C@H]1O 2356323992 GXPOPLPOQDCTPY-GNRCPZKDSA-N 435.443 2.677 5 1 IFBF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)c1 586938492 KCXPVBKKVVWHJQ-UHFFFAOYSA-N 428.268 2.915 5 1 IFBF CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3oc2c1 40894394 BZNPMRZKTCPIHE-UHFFFAOYSA-N 428.349 2.647 5 1 IFBF CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149827 SFUWPOOWMAOBEH-GJZGRUSLSA-N 440.504 2.718 5 1 IFBF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H](C)O)cc1 586938697 QQGLXQTXRRSVDB-FVMDXXJSSA-N 440.865 2.534 5 1 IFBF CCS(=O)(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 587266916 QIJMABZUGGCLJC-DYZYQPBXSA-N 449.445 2.707 5 1 IFBF CN1CCC[C@@H]1COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085555 AUUGGTHTSMUPHU-KDOFPFPSSA-N 444.513 2.960 5 1 IFBF Cc1onc(-c2nc3nc(Br)c[nH]c-3n2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587078894 CQMVYPSCQGKSRW-UHFFFAOYSA-N 439.617 2.837 5 1 IFBF CCOC(=O)C1CCN(c2ncnc(Oc3cc(C(F)(F)F)nn3C)c2[N+](=O)[O-])CC1 40873423 GZORJFSITDOUIP-UHFFFAOYSA-N 444.370 2.709 5 1 IFBF CC1(C)C[C@@H](NC(=O)C2=NS(=O)(=O)c3ccccc3N2)c2cc([N+](=O)[O-])ccc2O1 84651996 RYTBJQRPSOKGQS-CQSZACIVSA-N 430.442 2.526 5 1 IFBF CCOC(=O)C1=C(/C=C/C(=O)OC)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 169723456 LNWOHNLEVXIMLN-MMKWGKFASA-N 444.440 2.879 5 1 IFBF COc1cccc2c1CC[C@H]1CN(CCn3c(O)nc4cc([N+](=O)[O-])ccc4c3=O)C[C@@H]21 13863031 DQSYTGKEJVGVLB-IFXJQAMLSA-N 436.468 2.681 5 1 IFBF O=C1OCCN1CCNc1ccc2c3c1sc1ccccc1c3nn2CCNCCO 29334591 IRLZMEDZPSSHLY-UHFFFAOYSA-N 439.541 2.850 5 1 IFBF COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc1[N+](=O)[O-] 82193477 QROVUZHGJJFWCZ-ZBFHGGJFSA-N 432.502 2.991 5 1 IFBF COc1ccc2[nH]c3c(C(=O)NCCN(C)C)ccc4c3c(nn4CCCN(C)C)c2c1 26992389 OEBGZSGWQMSCBK-UHFFFAOYSA-N 436.560 2.923 5 1 IFBF O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20646329 MIJVEARSGVXVPI-UHFFFAOYSA-N 442.475 2.534 5 3 IFBF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587207383 SCDPZHBYGADINV-ZDUSSCGKSA-N 429.345 2.822 5 1 IFBF COc1cc2c(=O)n(CCn3ccnn3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 43066021 HNEFVQQGCVQZPE-UHFFFAOYSA-N 445.435 2.741 5 1 IFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCCN(C)C)cc2[nH]1 587265415 DISGKVPVMYNQKR-HXPMCKFVSA-N 444.448 2.854 5 1 IFBF COC(=O)C[C@H]1c2ccc(Cl)cc2NC(=O)[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 27087307 FXSFCIZZSPZFCD-YOEHRIQHSA-N 438.845 2.690 5 1 IFBF Nc1c2c(nc3c1[C@H](c1ccc([N+](=O)[O-])cc1)n1c(=O)c4ccccc4c(=O)n1-3)CCCC2 1857640107 XUOCWVHCSSTTNV-NRFANRHFSA-N 441.447 2.868 5 1 IFBF COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCCO)cc1 2480940 AVKZBQPKRQEZOK-UHFFFAOYSA-N 443.412 2.665 5 1 IFBF CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 82135811 BGDXSOWFDYKQLD-GJZGRUSLSA-N 440.504 2.718 5 1 IFBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1F 587139415 JUMBQRZPUZNZOG-UHFFFAOYSA-N 440.840 2.952 5 1 IFBF COc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cc1OC 586940780 FVIMPHBOZJDVHF-UHFFFAOYSA-N 438.487 2.689 5 1 IFBF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587230943 JZVMQTKZGPEPOO-UHFFFAOYSA-N 425.445 2.727 5 1 IFBF CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc([N+](=O)[O-])cc12 49034195 CEYOGNPVZTXQNM-UHFFFAOYSA-N 426.458 2.865 5 1 IFBF CCCCOC(=O)COC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82083971 SHLQPEBPFOAMON-LBPRGKRZSA-N 435.458 2.723 5 1 IFBF CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 40394845 XJIZSZWEOKQXGN-IHSQGBLNSA-N 426.425 2.579 5 1 IFBF CN(CCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nsc2nccn12 13641276 KVEWIDVUDOCYLN-UHFFFAOYSA-N 438.535 2.674 5 1 IFBF C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C[C@H](C)O1 28868010 KPXUCNGZFADDEW-RYUDHWBXSA-N 442.403 2.745 5 1 IFBF CCCCCS(=O)(=O)C[C@@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28014606 QWRNEHAXGDCXAX-OAHLLOKOSA-N 426.413 2.908 5 1 IFBF COC1=C(OCc2ccc([N+](=O)[O-])cc2)/C(=C\Cn2cnc3c(Cl)ncnc32)OC1=O 29468748 LBGPZAQEZYCCKM-AWNIVKPZSA-N 443.803 2.903 5 1 IFBF CCS(=O)(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 587266914 QIJMABZUGGCLJC-BMLIUANNSA-N 449.445 2.707 5 1 IFBF Cn1nc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(I)c1C(=O)O 587179589 BUNZCMTZGWNWEP-UHFFFAOYSA-N 447.576 2.828 5 1 IFBF COc1cc2c(=O)n(CCNC(C)C)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 40428787 LOCZJAWQZKWQFJ-UHFFFAOYSA-N 436.468 2.842 5 1 IFBF NS(=O)(=O)c1cc(NC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c([N+](=O)[O-])c1 1857771766 JUMLIGNXGODMQQ-UHFFFAOYSA-N 441.421 2.714 5 1 IFBF COc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC 169322086 ORXDFUWHEQWFNV-YLTWVVNKSA-N 439.468 2.767 5 1 IFBF O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 73222051 DPUOECZUUULBLU-UHFFFAOYSA-N 427.498 2.974 5 1 IFBF CC(=O)NCCNc1ncc(C(=O)NCC2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82134972 IHAIGARQPOHUHP-UHFFFAOYSA-N 440.504 2.910 5 1 IFBF Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CN1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O 1857541608 UEENBTCGFHLQIH-OAHLLOKOSA-N 449.467 2.510 5 1 IFBF COc1cc2ncnc(N3CCN(C(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2cc1OC 13474768 DJCXBGBTOUKRNR-UHFFFAOYSA-N 438.444 2.909 5 1 IFBF O=[N+]([O-])c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 1772582414 KQLWSSDYPGXCNL-UHFFFAOYSA-N 437.548 2.907 5 1 IFBF CN(CCCOc1ccccc1[N+](=O)[O-])C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 1857587736 GDLIIHARZBJHOV-OAQYLSRUSA-N 447.442 2.753 5 1 IFBF CCCOc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SC[C@H](O)COC)cc1[N+](=O)[O-] 6162521 DZNBNRYHENSPFK-CQSZACIVSA-N 440.478 2.944 5 3 IFBF O=C(O)c1cnn(-c2ccc(F)cc2)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1857770561 PMUOAVLDFNVGOJ-UHFFFAOYSA-N 438.327 2.977 5 1 IFBF CN(C)c1ccccc1C(=O)OC[C@]1(CO)C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O1 40394614 DLAPMOQPJFXTOG-JLOHOZFJSA-N 426.425 2.579 5 1 IFBF C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1CCCCN1C(=O)CCCC1=O 73197034 QSHMWXGXHLDTKK-KRWDZBQOSA-N 439.516 2.973 5 1 IFBF CCCCNS(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 587269836 HLJVZPXOKQHTMU-UHFFFAOYSA-N 432.458 2.941 5 1 IFBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[N+](=O)[O-])(c1ncn(Cc3ccccc3)c1[N+](=O)[O-])O2 587388456 BXVJNVHAKHCQGC-OAQYLSRUSA-N 437.412 2.868 5 1 IFBF CN(CC(=O)OCCc1ccccn1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085836 YMJXCPFEXVBQKQ-UHFFFAOYSA-N 426.454 2.971 5 1 IFBF CCCCNc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135513 PNJYGEWHPVEKFM-UHFFFAOYSA-N 426.477 2.568 5 1 IFBF CCOC(=O)C1=C(NC(=O)C(C)C)OC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 96272075 ZTHKKXRUWPXBOP-MRXNPFEDSA-N 432.429 2.703 5 1 IFBF Cc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)sc(=O)n1Cc1ccc2c(c1)OCO2 61906115 OMJBCZCNYVFYMW-UHFFFAOYSA-N 427.438 2.833 5 3 IFBF COC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1 587265850 RSGIQQKHIUDUIN-NSHDSACASA-N 435.234 2.968 5 1 IFBF CSc1ccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1[N+](=O)[O-] 586940993 MENSZMYKWZYNMX-UHFFFAOYSA-N 441.422 2.719 5 1 IFBF COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049660 GYIFHEOOKGLGLF-TZIWHRDSSA-N 443.456 2.857 5 1 IFBF O=C(CN1CCOCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 96258335 TWCJQHKRTSUKPE-UHFFFAOYSA-N 427.464 2.753 5 1 IFBF CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCO)cc1 4041384 JHQBPBXEOANUBR-IEBWSBKVSA-N 432.864 2.515 5 1 IFBF O=c1nc(N2CCN(c3nccs3)CC2)oc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857549938 WNUHVPIEJDNBSR-UHFFFAOYSA-N 427.364 2.898 5 1 IFBF CO[C@H]1C(=O)N2c3c(cn(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)CS(=O)(=O)[C@H]12 27746711 XCQZEAPMSLWZHR-PZJWPPBQSA-N 439.449 2.669 5 1 IFBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cnnc(O)c2[nH]1 586949116 QCLARAXZPYPERW-UHFFFAOYSA-N 426.414 2.743 5 1 IFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587266706 NHSPEUFSAXTANC-BMLIUANNSA-N 428.405 2.615 5 1 IFBF COc1cccc([C@@]2(c3cccc([N+](=O)[O-])c3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)n1 963521840 COAWJCLAZRGKLL-MBSDFSHPSA-N 435.436 2.903 5 1 IFBF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587268886 CNBGPJMVOOERCQ-UHFFFAOYSA-N 441.473 2.749 5 1 IFBF Cc1cc(N)c2c(c1)C(=O)C[C@](C[N+](=O)[O-])(c1ncn(Cc3ccccc3)c1[N+](=O)[O-])O2 587388455 BXVJNVHAKHCQGC-NRFANRHFSA-N 437.412 2.868 5 1 IFBF O=C1Nc2ccc([N+](=O)[O-])cc2[C@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 299868141 QZDLKKDGGMTWCE-NRFANRHFSA-N 443.379 2.530 5 1 IFBF COc1cc2c3c(c1)OC1(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC1)[C@@H](C2)C3=O 587448701 LXHVLCADGUSORX-KRWDZBQOSA-N 444.465 2.574 5 1 IFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587266710 NHSPEUFSAXTANC-BTDLBPIBSA-N 428.405 2.615 5 1 IFBF CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 587270236 KSQZRMWZCBZYFW-UHFFFAOYSA-N 432.458 2.893 5 1 IFBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCO 4152622 YPURXFRMLXATIF-MJGOQNOKSA-N 433.848 2.847 5 1 IFBF O=C(NC[C@@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775466 DOFMONYPKZTHEB-LLVKDONJSA-N 435.795 2.792 5 1 IFBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1 26380934 GJWQEFUNQITYAJ-SNVBAGLBSA-N 443.821 2.820 5 1 IFBF CC1=NC(C)=C(C(=O)NCCCN2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(N)=O 169715722 WCRVPBFEPZVSRH-TZIWHRDSSA-N 441.532 2.521 5 1 IFBF O=C(CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587026187 VGDOPRFDNFMTPB-UHFFFAOYSA-N 440.401 2.864 5 1 IFBF COc1cc(-c2nnc(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC 28649031 YYFDIVRJQCAXAJ-UHFFFAOYSA-N 435.414 2.645 5 1 IFBF O=C(CS(=O)(=O)c1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1 28712326 DLTFZXIPJPMVPC-UHFFFAOYSA-N 431.207 2.856 5 1 IFBF COc1c(N2C[C@H](C)O[C@H](C)C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 29123109 XMMNBHIHHMYICW-AOOOYVTPSA-N 435.408 2.704 5 1 IFBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1O[C@H]3C[C@@H](O)[C@H]1O 2356566125 BBQNBDLDLWPSAP-SNASMPBVSA-N 439.427 2.939 5 1 IFBF O=C(O)c1cc(Br)cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 586920099 MFNNYYBPHWIWOI-UHFFFAOYSA-N 440.231 2.906 5 1 IFBF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 13144706 RTRWWRFAKXNNTO-WGKKAQPQSA-N 445.479 2.628 5 1 IFBF COc1ccc([C@@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1[N+](=O)[O-] 45253667 XSHPTQJFXLACMV-FQEVSTJZSA-N 431.401 2.868 5 1 IFBF C/C=C/C=C/C(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)/C=C/C=C/C 33822395 VTXPJSLVGYHUPM-VLAOGXOLSA-O 446.457 2.546 5 1 IFBF O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1857640948 CBQCOBSPAFSUFX-UHFFFAOYSA-N 440.460 2.567 5 1 IFBF CC[C@@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82150010 YEGNGZUGWOCYEO-CQSZACIVSA-N 426.477 2.567 5 1 IFBF O=C1[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 104798570 RTRWWRFAKXNNTO-AHWCRGGASA-N 445.479 2.628 5 1 IFBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1O[C@H]3C[C@H](O)[C@@H]1O 2356566127 BBQNBDLDLWPSAP-VVQGTSJCSA-N 439.427 2.939 5 1 IFBF COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1OC 586927881 XBHIDAMTYQVFEZ-UHFFFAOYSA-N 439.833 2.990 5 1 IFBF CCCCNS(=O)(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587270697 YVVRHBPXSMOSPO-UHFFFAOYSA-N 441.473 2.797 5 1 IFBF CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 42920105 PDFSDYZOTUUNJY-AAKHDSTQSA-N 426.425 2.579 5 1 IFBF CCCN(C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 95604002 FPEPJLVQURYETR-UHFFFAOYSA-N 447.513 2.952 5 1 IFBF CCCCOC(=O)COC(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085772 IMWMWHPGGGOQSD-UHFFFAOYSA-N 435.458 2.677 5 1 IFBF CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N(C)C 4204562 VOTHDHVARMOMMV-UYAOXDASSA-N 427.413 2.902 5 1 IFBF O=C(OCCCc1cccnc1)[C@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 1772571597 YFNFKRXELHVVFX-HXUWFJFHSA-N 447.513 2.850 5 1 IFBF COc1ncccc1NC(=O)c1c(N)cccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857574660 RUPPAPUDQFKZCH-UHFFFAOYSA-N 428.426 2.666 5 1 IFBF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586930138 MTKSPKRMBQNFLH-UHFFFAOYSA-N 441.263 2.768 5 1 IFBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2c1 586951111 IIGHEKJZYKOYCV-UHFFFAOYSA-N 438.263 2.736 5 1 IFBF N[C@@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1)Cc1cc(F)c(F)cc1F 84688153 GNYSEVAVKFKYBS-CYBMUJFWSA-N 440.397 2.760 5 1 IFBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc([C@H](CC(=O)O)C(=O)O)c1O 587943997 VDQJQXNOCOTLNV-ZETCQYMHSA-N 447.169 2.650 5 1 IFBF Cn1ccc2ccc3c4[nH]c5c(CCNCCO)cccc5c4c4c(c3c21)C(=O)NC4=O 13535134 BRGYPSBHCUNPNP-UHFFFAOYSA-N 426.476 2.974 5 1 IFBF CC[C@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135783 WRGNIRYEEZRUGA-AWEZNQCLSA-N 426.477 2.567 5 1 IFBF Cc1cc2c(cc1C)[n+](=O)c(C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)c(C)n2O 139320635 XVEIOLACKYYTMI-UHFFFAOYSA-N 438.464 2.589 5 1 IFBF CCN(CC)c1ccc(-c2nn(C(=O)c3n[nH]cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587667929 VOTJCTQZKKYRFE-UHFFFAOYSA-N 448.439 2.935 5 1 IFBF O=C(OCCCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 66102448 XAAHWACETUTGKH-IBGZPJMESA-N 433.486 2.709 5 1 IFBF N[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 40915178 WCMCCSIYZNRTRY-GGAORHGYSA-N 446.507 2.622 5 1 IFBF CC(=O)NCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135923 KYXPHGQYGDATHX-UHFFFAOYSA-N 426.477 2.662 5 1 IFBF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 40409712 KMWWTXMJXPAIBN-NVXWUHKLSA-N 431.836 2.713 5 1 IFBF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586929442 CMHYCWTYXMHPIB-UHFFFAOYSA-N 441.263 2.768 5 1 IFBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC1 587270801 PUKCHPWRJZMJLF-UHFFFAOYSA-N 430.442 2.738 5 1 IFBF CCOC(=O)[C@](C(=O)O[C@H]1C[C@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)(c1ccccc1)C1CCCC1 103231447 NMNBNNRXMJKBSA-JXTMZHJJSA-N 428.549 2.978 5 1 IFBF CC1=NC(C)=C(C(=O)NCCCN2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(N)=O 169715724 WCRVPBFEPZVSRH-PZJWPPBQSA-N 441.532 2.521 5 1 IFBF CC(=O)N1CCN(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149205 QLUXHMZWTCZDPQ-UHFFFAOYSA-N 438.488 2.711 5 1 IFBF COC(=O)[C@@H]1C[C@]23C(=O)[C@@H]4C[C@@H]5[C@@]2(COC(C)=O)[C@H](CCC2=C3[C@@H]1CC2)C[N+]5([O-])C[C@H]4C 238740048 SMXUAZRFOMOTFP-NTMNGVOCSA-N 443.540 2.767 5 1 IFBF CC(C)(C)OC(=O)N[C@H](C(=O)[CH-]c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](N)Cc1ccccc1 169728482 TXJBRRYYXCZGEG-AZUAARDMSA-N 440.476 2.749 5 1 IFBF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c3ccccc3c3ccccc3c2[nH]1 587217354 BDRQDQKQTBFJJI-DLBZAZTESA-N 434.452 2.693 5 1 IFBF N[C@@H](CCc1nc2ccc(Br)c(O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270584 NYBKMCHJPNSKTQ-LBPRGKRZSA-N 434.250 2.838 5 1 IFBF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H](C)O)cc1 586938699 QQGLXQTXRRSVDB-JDNHERCYSA-N 440.865 2.534 5 1 IFBF O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 40914468 SPDUASYCGZSSGT-GMAHTHKFSA-N 447.491 2.656 5 1 IFBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@@H](C(=O)OC)[C@H]1c1ccccc1[N+](=O)[O-] 169712731 QSLSXLZMKAFQHT-QZTJIDSGSA-N 426.429 2.656 5 1 IFBF CCCCOC(=O)COC(=O)[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82083673 UYDLYFYCENIUMB-LBPRGKRZSA-N 435.458 2.723 5 1 IFBF O=C(O)COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1[N+](=O)[O-] 962961532 GUBLEDYOAONTBV-GTNSWQLSSA-N 442.758 2.678 5 1 IFBF CC(N)=[N+]1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2[N+](=O)[O-])CC1 169717357 YNYVXZDENRCRMJ-HWKANZROSA-O 437.524 2.935 5 1 IFBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1 13840019 BIVLEDRCQVFALV-JTQLQIEISA-N 443.821 2.820 5 1 IFBF COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCCO)c([N+](=O)[O-])cc1OC 2483172 CEBOMHLMLYZOMB-UHFFFAOYSA-N 431.376 2.795 5 1 IFBF