smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccco2)CC1 2314496 KTJXUDRDUCGTEZ-UHFFFAOYSA-N 374.309 1.694 5 40 FDBB CC(C)OCCCn1c(=N)c(C(N)=O)cc2c(=O)n3ccccc3nc21 100751635 AMDYNCRQNSBATK-UHFFFAOYSA-N 355.398 1.043 5 40 FDBB biogenic O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(c2ccc(F)cc2)CC1 10246943 GUDGLEFPQJNDPA-UHFFFAOYSA-N 360.345 1.244 5 40 FDBB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C2 89688878 NZWJITODDYNKOY-LBPRGKRZSA-N 350.400 1.701 5 40 FDBB CC(=O)OC[C@H](C(=O)OC1C[C@H]2[C@H]3O[C@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 5857157 CYAJKSQIXDGAIM-UAKVAPNWSA-N 360.430 1.634 5 40 FDBB COc1cc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc([N+](=O)[O-])c1 40122636 JUXIKXFLNORNGZ-NSHDSACASA-N 371.415 1.005 5 40 FDBB COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)NC2CCCC2)cc([N+](=O)[O-])c1 3513582 MHCVLLIJLXBBJT-JTQLQIEISA-N 364.354 1.986 5 40 FDBB CCCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 10079677 DWAXKDIUFOHVSR-UHFFFAOYSA-N 356.404 1.021 5 40 FDBB Nc1nc2nc3c(c(-c4ccc([N+](=O)[O-])cc4)c2c(=O)[nH]1)C(=O)CCC3 20673616 ASUNQURAZSMRDH-UHFFFAOYSA-N 351.322 1.995 5 40 FDBB COC(=O)C(Br)(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccccc1 3115640 JCIAXZIDRYKZPV-JTQLQIEISA-N 360.160 1.527 5 40 FDBB CCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)c1=N 101117210 XAYDOVNMSABZTP-UHFFFAOYSA-N 369.425 1.305 5 40 FDBB CNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1 25937064 XCDGUSODOMNTPL-UHFFFAOYSA-N 356.382 1.950 5 40 FDBB Nn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nnc1C1CC1 3431649 SLDLDURGTSCIRB-UHFFFAOYSA-N 352.351 1.647 5 40 FDBB O=C1NC(=S)N=C(O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]12 8744284 NVFIYGGJIKZTAR-LBPRGKRZSA-N 360.395 1.867 5 40 FDBB CCS(=O)(=O)N1CCC(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 19426674 CGWXNUOZZQZDQO-UHFFFAOYSA-N 356.400 1.700 5 40 FDBB C[C@@H](C(=O)O)N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O 98087106 IADJUXFIFVUQSC-LURJTMIESA-N 359.250 1.725 5 40 FDBB COc1ccccc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 3598673 SDVSEIQAXZDFPM-UHFFFAOYSA-N 355.306 1.838 5 40 FDBB CCOC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(O)n[nH]c2C[C@@]1(C)O 4754948 UDVQDRNFAAQHTD-SUYBPPKGSA-N 361.354 1.642 5 40 FDBB Cc1ccc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1[N+](=O)[O-] 10425120 ZHWKXOXBIMFTHH-UHFFFAOYSA-N 374.397 1.888 5 40 FDBB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 3849467 PGIZRJGRJUOIJI-GFCCVEGCSA-N 358.306 1.724 5 40 FDBB biogenic Cn1ccnc1SCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 10885586 CYTHCQAHTIMBPH-UHFFFAOYSA-N 361.427 1.769 5 40 FDBB Cc1noc(C)c1COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2658706 ZUCRAUCFKHZBML-UHFFFAOYSA-N 373.321 1.929 5 40 FDBB C[C@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C[C@H](C)O1 7813696 JEJNDPISSYOIRT-STQMWFEESA-N 369.443 1.993 5 40 FDBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O 409102892 UNFAERXVHACJQV-PKTIUJEHSA-N 352.324 1.898 5 40 FDBB CC(C)(C)NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4839272 WTOBVIGCWJMZRR-UHFFFAOYSA-N 365.386 1.503 5 40 FDBB C[C@H]1CCCN(c2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])C1 102751415 BEBGCPKCPRJWBH-QJPTWQEYSA-N 350.423 1.817 5 40 FDBB COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 9261207 DOJYBKFODDHEJV-QDEBKDIKSA-N 366.307 1.533 5 40 FDBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 40161413 XSWJFUVMBOHELK-AWEZNQCLSA-N 355.416 1.080 5 40 FDBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccc(-n2cnnn2)c1 24320574 JBILVYFJYNJQQE-UHFFFAOYSA-N 353.342 1.412 5 40 FDBB Nc1ccc(NC(=O)C[C@H](NCCc2ccccc2)C(=O)O)cc1[N+](=O)[O-] 65090394 OXDRQJXIFIFQKV-HNNXBMFYSA-N 372.381 1.791 5 40 FDBB C[C@H](O)CNc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] 15209578 MEBCFPHIGHVJIN-NEPJUHHUSA-N 357.432 1.808 5 40 FDBB CCOc1ccc(C(=O)NC(=S)Nc2nnn(CC)n2)cc1[N+](=O)[O-] 13954944 QTNVMZADOJOSIO-UHFFFAOYSA-N 365.375 1.127 5 40 FDBB N=C1NC(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)S1 4548924 XYENDOSNFBIOTM-QMMMGPOBSA-N 373.188 1.852 5 40 FDBB O=C1NC(=S)N=C(O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]12 8742887 NVFIYGGJIKZTAR-GFCCVEGCSA-N 360.395 1.867 5 40 FDBB COC(=O)CNc1nc(N2CCOCC2)cc(C(F)(F)F)c1[N+](=O)[O-] 43224372 GIORFGVYFNEIFP-UHFFFAOYSA-N 364.280 1.430 5 40 FDBB O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 18097712 VDMLSIPPOUVVJS-BKUVIOGVSA-N 365.139 1.800 5 40 FDBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc([N+](=O)[O-])c1O 109058061 PGBFVGNAVLWLTN-IHWYPQMZSA-N 350.243 1.589 5 40 FDBB Cc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1S(N)(=O)=O 9514312 VIIZUXZXXMJBPW-UHFFFAOYSA-N 367.387 1.003 5 40 FDBB Cc1cc(=O)c(C(=O)NCC(F)(F)F)nn1-c1ccccc1[N+](=O)[O-] 52549606 JEHSHGNQFNTKOA-UHFFFAOYSA-N 356.260 1.741 5 40 FDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 408535511 SXHCRSDWXZUSBV-UHFFFAOYSA-N 371.309 1.946 5 40 FDBB CC(=O)OC[C@H](C(=O)OC1C[C@@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 104100418 CYAJKSQIXDGAIM-CSALAFPFSA-N 360.430 1.634 5 40 FDBB CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)s1 24657574 RHTFGGAJJLRYER-UHFFFAOYSA-N 352.324 1.925 5 40 FDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 46033971 IOBUKYJAZAEWGY-ZIAGYGMSSA-N 371.459 1.681 5 40 FDBB Cc1c(S(=O)(=O)NCCCn2ccc([N+](=O)[O-])n2)cnn1C(F)F 36614486 TZEUILANOFSHBC-UHFFFAOYSA-N 364.334 1.060 5 40 FDBB O=[N+]([O-])c1ccc2c(c1NCCc1ccccn1)=NC1(CCCCC1)[N+]=2[O-] 4952775 PSLFKQAQQCKCMO-UHFFFAOYSA-N 367.409 1.927 5 40 FDBB CCOC(=O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 6891697 BPEICFQIUUMNLD-AWEZNQCLSA-N 352.387 1.610 5 40 FDBB CC1(C)OC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)O1 12557671 XIRLDNNCCAILBC-CYBMUJFWSA-N 362.338 1.179 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1NCc1cccnc1 19842857 IHILVEGWVIQREZ-UHFFFAOYSA-N 357.414 1.716 5 40 FDBB CS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4499114 QZWXARSDGRDMTQ-UHFFFAOYSA-N 353.322 1.695 5 40 FDBB O=C(Cn1nc([N+](=O)[O-])nc1Br)c1ccc2c(c1)OCCO2 4668960 UVHLPKUCKQBBNX-UHFFFAOYSA-N 369.131 1.603 5 40 FDBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 40161414 XSWJFUVMBOHELK-CQSZACIVSA-N 355.416 1.080 5 40 FDBB Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCC(=O)O)n1-c1ccccc1 12427691 YGXIGYGSDQLDRB-UHFFFAOYSA-N 374.382 1.905 5 40 FDBB Cc1ccc(S(N)(=O)=O)cc1C(=O)OCc1ccccc1[N+](=O)[O-] 25127832 CRDAYCWZKKUDPJ-UHFFFAOYSA-N 350.352 1.908 5 40 FDBB CC(C)(CNC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 13005386 ZEAYWVVAJMZXNF-UHFFFAOYSA-N 371.821 1.854 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1=COCCO1 6416115 WRNIUYQYMATSRK-SECBINFHSA-N 352.299 1.362 5 40 FDBB COc1ccc(OC)c([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 7020481 MBLZYRIIMCLODO-NSHDSACASA-N 361.354 1.651 5 40 FDBB CCOc1c(C)cnc2c1c(=O)n(Cc1ccc([N+](=O)[O-])cc1)c(=O)n2C 15880417 HDNRNDFXORQIFE-UHFFFAOYSA-N 370.365 1.759 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccc2c(c1)OCO2 23143660 HOYUWUWUKLWKHM-UHFFFAOYSA-N 366.351 1.681 5 40 FDBB O=c1c([N+](=O)[O-])c(NCc2cccnc2-n2cccn2)nc2ccccn12 24660742 SKKFHQFJLMPJPP-UHFFFAOYSA-N 363.337 1.796 5 40 FDBB O=C(COc1cc(N2CCCC2=O)ccc1[N+](=O)[O-])NC[C@@H]1CCCO1 9513806 XCDOHHJYQQQXNU-ZDUSSCGKSA-N 363.370 1.396 5 40 FDBB CSc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C 4139134 BNRKQMJFOZQHDD-UHFFFAOYSA-N 359.367 1.324 5 40 FDBB COc1cc(C(=O)N2CCN(C3CC3)CC2)c([N+](=O)[O-])c(OC)c1OC 57993923 QKXLQXBTQZOSIN-UHFFFAOYSA-N 365.386 1.541 5 40 FDBB CC[C@@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 108013962 BFURJNXTEJSUOZ-SNVBAGLBSA-N 359.404 1.284 5 40 FDBB CS(=O)(=O)NC[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 42108620 XVPZCFIFSORULD-GFCCVEGCSA-N 367.431 1.163 5 40 FDBB C[C@H]1CN(c2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 13776361 JLOPEXXOVOGYRH-NNYUYHANSA-N 366.422 1.194 5 40 FDBB O=C1C[C@]2(CCSC2)C(=O)N1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 69948305 JAYFFZBHTWNIFL-WBMJQRKESA-N 366.395 1.217 5 40 FDBB Cc1cc2c(c(=O)n1C)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)CC(=O)O2 524733044 OBYLZKRDLOKVQO-SNVBAGLBSA-N 358.306 1.772 5 40 FDBB CCOC(=O)CCCNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 3514057 TWYJUFOIYKPHCL-UHFFFAOYSA-N 372.761 1.865 5 40 FDBB CC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 35540006 IEPUVAZEAGIBQY-JTQLQIEISA-N 354.794 1.739 5 40 FDBB CC1CCN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@H](C)C3)n2)CC1 5164719 UTJOMBCEIJNHIG-VXGBXAGGSA-N 350.423 1.817 5 40 FDBB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1ccccc1[N+](=O)[O-] 4941382 NYXKAQCKIONVLY-GFCCVEGCSA-N 363.370 1.725 5 40 FDBB Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 6416231 IIIJEUZYOMNVQJ-UHFFFAOYSA-N 351.340 1.749 5 40 FDBB O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccco1)Nc1cccc([N+](=O)[O-])c1 9926935 WEETUHIOUCBPKR-ZDUSSCGKSA-N 372.337 1.157 5 40 FDBB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 12922496 QLHFCXUTWOUMMF-INIZCTEOSA-N 368.349 1.224 5 40 FDBB O=C1NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C12CC2 169616554 VXATYHIRCKFCEU-PJQZNRQZSA-N 370.321 1.709 5 40 FDBB O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 102082724 QLVMXYZTUVQCPF-GZUXKWSESA-N 367.361 1.586 5 40 FDBB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 12922501 QLHFCXUTWOUMMF-MRXNPFEDSA-N 368.349 1.224 5 40 FDBB Cc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 9962170 YJVIKEJVPVWPHE-UHFFFAOYSA-N 371.396 1.351 5 40 FDBB C[C@]1(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)NC(=O)NC1=O 47167135 KJBIWHKYQRKOSN-QGZVFWFLSA-N 354.322 1.902 5 40 FDBB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 223651713 VQWVJABHUYFXNG-UHFFFAOYSA-N 365.367 1.764 5 40 FDBB COC(=O)c1ccc2c(c1)CCN2C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 25181067 DUHNQRUMPZHFJO-UHFFFAOYSA-N 358.354 1.784 5 40 FDBB O=C(COC(=O)c1ccc([N+](=O)[O-])s1)NC(=O)NCc1ccccc1 6083558 AAORDTZDTMACMK-UHFFFAOYSA-N 363.351 1.839 5 40 FDBB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc([N+](=O)[O-])c1 13857240 QURKEYSGYNIHMC-UHFFFAOYSA-N 353.290 1.871 5 40 FDBB COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C 36329755 VAUNDKKSYFXWIP-CYBMUJFWSA-N 361.354 1.790 5 40 FDBB C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2C(=O)NC[C@@H]2C1 75105988 LGXPTVMXCXQGIZ-GXFFZTMASA-N 358.358 1.415 5 40 FDBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C)cc(=O)[nH]1 8732779 WCQMEPLXMGDUTH-UHFFFAOYSA-N 350.356 1.726 5 40 FDBB CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 53645637 NDTZVQLNKWPDIP-UHFFFAOYSA-N 350.400 1.615 5 40 FDBB O=C(O)CC[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 2088068 NSEGVQVTJRXODS-QMMMGPOBSA-N 370.305 1.916 5 40 FDBB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1 10385191 HJZHUEFYVPVNKF-PWSUYJOCSA-N 367.383 1.087 5 40 FDBB CCCNC(=O)[C@@H](C)OC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 7840197 VJDVUQORDCDZIU-ORAHPGNNSA-N 350.327 1.795 5 40 FDBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 10339371 NOPCDKGUEFMTMQ-GJZGRUSLSA-N 374.397 1.787 5 40 FDBB O=C1NCCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])[C@@H]1c1ccccc1 58172606 XAHFNOPVUBFNOU-CQSZACIVSA-N 365.349 1.280 5 40 FDBB O=C(O)COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 7360757 NPNVUBHNZKIDKN-UHFFFAOYSA-N 352.324 1.859 5 40 FDBB C[C@@H]([C@H](c1ccccc1)[C@@H]1CC[C@@](C(N)=O)(N2CCOCC2)C1)[N+](=O)[O-] 34807051 XHPZVUCNLRFGTA-KNIMUDFMSA-N 361.442 1.792 5 40 FDBB C[C@H](OC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 14242909 KMLGJORKURLCNR-NEPJUHHUSA-N 363.370 1.267 5 40 FDBB NC(=O)c1ccccc1NC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 20648534 DUJBXGVPHNVYOA-UHFFFAOYSA-N 369.381 1.944 5 40 FDBB NC(=O)c1ccc(CN2CCC[C@@H]2C(=O)NCC(F)(F)F)c([N+](=O)[O-])c1 54991666 NKUCQOYSHGLIFA-LLVKDONJSA-N 374.319 1.337 5 40 FDBB CNS(=O)(=O)c1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 2633497 VSYMHTLGGZWAOP-UHFFFAOYSA-N 350.352 1.860 5 40 FDBB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 223651118 OSXNNEHXHNYKBM-UHFFFAOYSA-N 365.367 1.764 5 40 FDBB C[C@H]1OC2(C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([N+](=O)[O-])c2)CN(C)C1=O 1889004260 OPSDKUATLXWSIU-QSLRQCLCSA-N 373.409 1.978 5 40 FDBB O=C(C1=NO[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1ccco1 100355152 NONCNMRPGNJYJQ-RISCZKNCSA-N 355.262 1.315 5 40 FDBB O=C(CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCCCC1 25382851 OGMVODOVDMNFSH-UHFFFAOYSA-N 360.414 1.365 5 40 FDBB COC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc2c1CCCC2 1818969 DLBYKLFUAADDJO-UHFFFAOYSA-N 365.371 1.552 5 40 FDBB O=C(NN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1[N+](=O)[O-] 408686880 SNZNXTLSKWCKOL-UHFFFAOYSA-N 356.250 1.444 5 40 FDBB Cc1cnn(CCCNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 58165858 MSHMDFQPDDRVFT-ZDUSSCGKSA-N 359.386 1.425 5 40 FDBB O=C(/C=C/c1ccccc1)NCC(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 32721888 HIPFJCUTNSPBBC-CEUCYRDJSA-N 369.377 1.574 5 40 FDBB COc1ccc(NC(=O)NCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 26225217 FHFGNDVLBKHTGE-RYUDHWBXSA-N 352.391 1.834 5 40 FDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O 225198253 PZYHWHSFNVMYJU-NSHDSACASA-N 373.431 1.530 5 40 FDBB O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cn1ccc([N+](=O)[O-])n1 36615216 CNWCXIKUWCODOX-UHFFFAOYSA-N 355.289 1.332 5 40 FDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCO3)cc1 57807628 CPHWVTAQJGNKLX-UHFFFAOYSA-N 350.352 1.845 5 40 FDBB CC1CCN(S(=O)(=O)c2ccc(NC[C@H](C)O)c([N+](=O)[O-])c2)CC1 6654437 DSHSWYFFBLMZGC-LBPRGKRZSA-N 357.432 1.808 5 40 FDBB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N1 9926903 PKJOMPSURPXUOA-NEPJUHHUSA-N 367.383 1.087 5 40 FDBB O=C(C1=NO[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12)c1ccccc1 100355501 JWJIDCDPKNBZNN-BBRMVZONSA-N 365.301 1.722 5 40 FDBB Cc1cccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] 23179079 NQIKDSKLNNSLCR-UHFFFAOYSA-N 360.414 1.283 5 40 FDBB O=C(CCCn1cccc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 604404969 MWUMAJCGKABKSR-CABCVRRESA-N 370.409 1.984 5 40 FDBB biogenic CS(=O)(=O)CCNc1ccc(I)cc1[N+](=O)[O-] 97346940 NGFQCJUREUVLQD-UHFFFAOYSA-N 370.168 1.656 5 40 FDBB CCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)n[nH]c1=O 12533360 IUNKZVSTPUKKHT-UHFFFAOYSA-N 367.387 1.629 5 40 FDBB CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(=O)N2 30874520 HVBQMYUCPFTYTD-JTQLQIEISA-N 360.330 1.279 5 40 FDBB O=C1/C(=C/NCCO)c2ccccc2C(=O)N1c1ccccc1[N+](=O)[O-] 8519950 QXDKKNASMAKCTQ-SDNWHVSQSA-N 353.334 1.705 5 40 FDBB CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3[nH]cnc3C2)cc([N+](=O)[O-])c1 89490014 FWSXRFFIARAKJN-SNVBAGLBSA-N 364.383 1.009 5 40 FDBB COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)N2CCOCC2)cc1 32927109 GBBNAAWXNKZERZ-AWEZNQCLSA-N 374.401 1.461 5 40 FDBB CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O 6386045 KXPNSIBWJCTPMT-IZZDOVSWSA-N 352.324 1.900 5 40 FDBB CC(=O)N[C@H](OCCn1c([N+](=O)[O-])cnc1C)C(Cl)(Cl)Cl 3066272 YJXAFGLNHPMOQQ-SECBINFHSA-N 359.597 1.949 5 40 FDBB CN(C)C(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 58198300 VEAJJTZFDYFBBZ-LLVKDONJSA-N 368.821 1.987 5 40 FDBB O=C1NC2=C(C(=O)N(Cc3ccco3)C2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1 14246124 MDWBHKZXINUPTJ-OAHLLOKOSA-N 354.322 1.838 5 40 FDBB COCCn1c(C)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 5027621 DRBPVSJZALCCLJ-UHFFFAOYSA-N 351.388 1.872 5 40 FDBB O=C(CCn1c(=O)oc2ccccc21)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 24151803 RRQJNKSCXWCAID-OAHLLOKOSA-N 371.349 1.743 5 40 FDBB O=C(COc1cc(O)c2c(=O)c3ccccc3oc2c1)N1CCNC1=O 62001457 DEPOACJRWNBMHE-UHFFFAOYSA-N 354.318 1.582 5 40 FDBB biogenic COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 58438733 FAFPSLZFVIAHKB-LLVKDONJSA-N 355.416 1.366 5 40 FDBB Cc1ccc(-c2nn3c(CN4CCOCC4)nnc3s2)cc1[N+](=O)[O-] 71260506 FAGNLHSSJWIQSI-UHFFFAOYSA-N 360.399 1.902 5 40 FDBB CCOC(=O)N1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 34896554 VULYZDZWAYUEAF-UHFFFAOYSA-N 350.375 1.616 5 40 FDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(C)(C)C)S(C)(=O)=O 6186744 YEKXFSRBXOGLGC-UHFFFAOYSA-N 359.404 1.284 5 40 FDBB C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N1CCNC1=O 7207694 ICFRRXYYXJVTJU-VIFPVBQESA-N 362.342 1.266 5 40 FDBB NC(=O)Cc1nc2ccccc2n1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 25266079 FUDUVOCYUZCJBD-CYBMUJFWSA-N 370.365 1.412 5 40 FDBB O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccnc(N2CCOCC2)c1 25290368 QUVJQCJPIDJPHG-UHFFFAOYSA-N 356.382 1.685 5 40 FDBB CC(C)(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCS(=O)CC1 72305935 FGLZOXNSBIPWDW-UHFFFAOYSA-N 354.432 1.559 5 40 FDBB CN(CCOc1ccccc1Cl)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 95412966 LONMWUZDKBVNOP-UHFFFAOYSA-N 365.773 1.947 5 40 FDBB CCCCN(S(C)(=O)=O)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 255189963 UCPZMTOTROWGMZ-UHFFFAOYSA-N 370.836 1.999 5 40 FDBB Cc1c(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-] 260895370 HWHKALCCBHRKAQ-GFCCVEGCSA-N 357.432 1.830 5 40 FDBB Cc1c(NC(=O)c2c([N+](=O)[O-])cnn2C)c(=O)n(-c2ccccc2)n1C 1052707 VYIAYSBPLANKTP-UHFFFAOYSA-N 356.342 1.378 5 40 FDBB CC[C@H](C)N(C(=O)Cn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 7391532 HMXPXDWBXYCEJF-GWCFXTLKSA-N 372.447 1.222 5 40 FDBB CCN(CC)S(=O)(=O)c1ccc(-n2ccc([N+](=O)[O-])n2)c([N+](=O)[O-])c1 48311392 JWGQRXOQYPHEFO-UHFFFAOYSA-N 369.359 1.719 5 40 FDBB CC(C)[C@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])N1CCN(C)CC1 24765938 KLXUTAABSPZJSN-AWEZNQCLSA-N 374.445 1.287 5 40 FDBB C[C@@H](NC(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccco1 32745402 XSASFYZGOJWKHP-SECBINFHSA-N 362.294 1.951 5 40 FDBB COc1ccc(CNC(=O)c2nc(Cn3ccc([N+](=O)[O-])n3)no2)cc1 12420723 OZJDGNOMQTXBLV-UHFFFAOYSA-N 358.314 1.161 5 40 FDBB CCc1ccc(-c2nnn(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)cc1 16545471 MQCDSWYEJCRJLL-UHFFFAOYSA-N 352.354 1.958 5 40 FDBB CCn1cc(S(=O)(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)c([N+](=O)[O-])n1 595402073 UOUGKDXXXZRMRI-CBAPKCEASA-N 372.325 1.152 5 40 FDBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cc(C)on2)CC1=O 7928456 CJOQKEOXUZFFLS-JTQLQIEISA-N 360.326 1.891 5 40 FDBB CC(=O)c1ccc(NC[C@@H]([C@H]2CCOC2)N2CCOCC2)c([N+](=O)[O-])c1 24203838 MVOGZCLZTBTQIK-YJBOKZPZSA-N 363.414 1.947 5 40 FDBB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 2206949 LDXFXAVJQXAOLA-ZDUSSCGKSA-N 371.349 1.470 5 40 FDBB C[C@@H]1COCCN1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 95948172 VAMSYQRFGIIYLY-SNVBAGLBSA-N 363.823 1.247 5 40 FDBB O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc2c(c1)OCO2 23380004 NQZMUNCLQZQWHK-UHFFFAOYSA-N 374.353 1.778 5 40 FDBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(S(N)(=O)=O)c1 97212360 WHHNHIWMXAJRPB-LLVKDONJSA-N 353.356 1.716 5 40 FDBB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 36623610 CDNAPOVFWPLTHT-LLVKDONJSA-N 353.356 1.275 5 40 FDBB CN(C(=O)CNc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 36652346 HIGLBDRAPCTCOC-JTQLQIEISA-N 361.807 1.306 5 40 FDBB CC(C)NS(=O)(=O)c1ccc(N2CCCN(C)CC2)c([N+](=O)[O-])c1 8178111 QOPAVYLDAMLSJX-UHFFFAOYSA-N 356.448 1.423 5 40 FDBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc2c(c1)OCO2 408570188 ZTHYETIBLAHIDE-NMTPAWJOSA-N 367.361 1.984 5 40 FDBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)NCCCN1CCCC1=O 6785592 CHPOVWGAWPWKKH-UHFFFAOYSA-N 355.778 1.756 5 40 FDBB CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2nc1NC[C@H]1CCCO1 20051714 PZZMVYWVHKUTBH-GFCCVEGCSA-N 367.409 1.502 5 40 FDBB NC(=O)c1ccnc(N[C@@H](CO)Cc2c[nH]c3ccccc23)c1[N+](=O)[O-] 562240228 UBGXAVZBUDOXPR-LLVKDONJSA-N 355.354 1.586 5 40 FDBB O=c1c2ccccc2nnn1COc1ncnc2cc([N+](=O)[O-])ccc12 2616337 ILJMBGMEYXGSKU-UHFFFAOYSA-N 350.294 1.679 5 40 FDBB COC(=O)C1=C(C)O[C@@H](Cn2cc([N+](=O)[O-])cc(Br)c2=O)C1 95444459 BKPAPVBYOSTBDJ-SECBINFHSA-N 373.159 1.755 5 40 FDBB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cc(OCC(F)F)cc([N+](=O)[O-])c1 13960354 WUVVJOJHDPVBOU-XCCSTKFXSA-N 368.292 1.906 5 40 FDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N1CCC[C@H](O)C1 8149443 SIXZXMIZRXGJJR-LBPRGKRZSA-N 355.416 1.340 5 40 FDBB O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 5017292 UXJGOYNFVIBXTM-OXJKWZBOSA-N 350.714 1.054 5 40 FDBB O=C(CSc1nnc2ccccn12)NC(=O)c1cccc([N+](=O)[O-])c1 2644998 XBKQNRSWULKFQU-UHFFFAOYSA-N 357.351 1.686 5 40 FDBB O=[N+]([O-])c1ccc(C(c2c(O)ncnc2O)c2c(O)ncnc2O)cc1 13615993 GYXJTSAYMRNDGN-UHFFFAOYSA-N 357.282 1.177 5 40 FDBB O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCO1 4219542 YOAYHUHLFNEGFU-GFCCVEGCSA-N 354.384 1.525 5 40 FDBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)cc1[N+](=O)[O-] 409042430 MYFAKCLFUPEGAA-DTTOXWODSA-N 372.333 1.743 5 40 FDBB Cc1nccn1-c1ccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)cc1F 95452351 UDKFGHYREXBGLS-UHFFFAOYSA-N 358.333 1.892 5 40 FDBB NS(=O)(=O)c1ccc(N2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 58434645 WAINBEJKKFGSEY-UHFFFAOYSA-N 351.388 1.280 5 40 FDBB CN1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 4087037 MDTNEKOCBFRUJT-UHFFFAOYSA-N 360.395 1.995 5 40 FDBB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccco1 10331036 ZVJGWZGFAZPIQJ-CYBMUJFWSA-N 364.333 1.685 5 40 FDBB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3C)N2N1 10152999 ATBHGKFUKHJEQK-LBPRGKRZSA-N 358.358 1.158 5 40 FDBB Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCC(N)=O)n1-c1ccccc1 12427688 JOGZNIHVJKLGQG-UHFFFAOYSA-N 373.398 1.306 5 40 FDBB CC(=O)OC[C@@H](C(=O)OC1C[C@H]2[C@H]3O[C@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 5857275 CYAJKSQIXDGAIM-XBUDERJYSA-N 360.430 1.634 5 40 FDBB Cc1cccc(Nc2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])c1 20291784 JIQZMPSAHOZAAI-UHFFFAOYSA-N 373.417 1.763 5 40 FDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCc1ccccc1 3228625 YJXSBDIRVHKIMT-UHFFFAOYSA-N 353.334 1.550 5 40 FDBB O=C(OCC(=O)N1CCCC1=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 5972168 ZMHHWFJYGZPMPQ-UHFFFAOYSA-N 361.354 1.501 5 40 FDBB C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F 6852929 VTEIIEFBQVFGFU-INWYIAFRSA-N 367.259 1.235 5 40 FDBB O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 58216257 NALNYHAUYGEYFY-CYBMUJFWSA-N 360.322 1.493 5 40 FDBB C[C@@H](C(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F)n1cc([N+](=O)[O-])cn1 6520708 OQBTYYNLAVAYNZ-DYEAUMGKSA-N 353.232 1.159 5 40 FDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNc1nc(C)cc(C)n1 9155105 RONOXHIGKVYUIJ-UHFFFAOYSA-N 353.360 1.316 5 40 FDBB O=C(NCCCCN1CCOCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 40154772 QTTXSHAVSYVLMP-UHFFFAOYSA-N 373.413 1.623 5 40 FDBB O=C(Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 3902066 BPPKSTRNRPVONX-UHFFFAOYSA-N 360.330 1.048 5 40 FDBB CCOC(=O)N1CCN(C(=O)COc2ccc(OC)cc2[N+](=O)[O-])CC1 5050895 GNTMIHDVWXBLCV-UHFFFAOYSA-N 367.358 1.283 5 40 FDBB O=[N+]([O-])c1cnn(Cc2ccc(-c3nc4c5cn[nH]c5ncn4n3)cc2)c1 17074377 HCEDSBWPXJSTTH-UHFFFAOYSA-N 361.325 1.821 5 40 FDBB O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N=c1[nH]c2ccccc2[nH]1 9367304 GRDDKVXWFAMAEI-UHFFFAOYSA-N 353.294 1.440 5 40 FDBB O=C(NCCCO)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 2271058 QGXPOXVQQQJMAT-SDNWHVSQSA-N 359.338 1.457 5 40 FDBB C[C@@H]1CN(S(=O)(=O)CCNc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 40091263 HQFKVRFXIQXFEF-GHMZBOCLSA-N 361.395 1.585 5 40 FDBB Cc1cccc(NC(=O)CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1C 12977288 HQYSFAOQZHXYQB-UHFFFAOYSA-N 359.386 1.780 5 40 FDBB CCN(CC)S(=O)(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 9128417 YEKKAOQHDMULJF-UHFFFAOYSA-N 371.444 1.905 5 40 FDBB CCN1CCN(c2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)C[C@@H](C)C3)n2)CC1 4306044 UKQYWXBRJLYXRY-CHWSQXEVSA-N 363.466 1.591 5 40 FDBB COC(=O)[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 9653568 FAIXQJZJFICGAG-INIZCTEOSA-N 372.333 1.941 5 40 FDBB O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 100184717 VDMLSIPPOUVVJS-BJDJZHNGSA-N 365.139 1.800 5 40 FDBB C[C@H](Cn1cccn1)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 24806910 GWVAVCLTIJOQCV-GFCCVEGCSA-N 373.369 1.684 5 40 FDBB CCOC(=O)C1=C2C(=O)OCCN2C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 58420704 GEHMDZDNOWHMIS-GFCCVEGCSA-N 361.310 1.035 5 40 FDBB CCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n[nH]c1=O 7513506 FEWYSTOQSSHYCB-UHFFFAOYSA-N 351.388 1.929 5 40 FDBB COCCCn1c(=O)[nH]c(=O)c2c(-c3cccc([N+](=O)[O-])c3)ccnc21 10157269 ZIHXKINISPBYPS-UHFFFAOYSA-N 356.338 1.697 5 40 FDBB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 24261474 LHSMIWKWCLGHPR-UHFFFAOYSA-N 351.340 1.764 5 40 FDBB Cc1ccc([C@@]2(C)NC(=O)N(CCn3cc([N+](=O)[O-])ccc3=O)C2=O)o1 89652572 IBZZKHBXJJSCCV-MRXNPFEDSA-N 360.326 1.125 5 40 FDBB CCCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])n[nH]c1=O 8474909 AMENAHYWBGNMDS-UHFFFAOYSA-N 351.388 1.929 5 40 FDBB Cc1ccc(-c2nnn(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)n2)cc1 25236653 BGPNQNHXMZYULA-OAHLLOKOSA-N 355.354 1.997 5 40 FDBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 409046297 JXGRTCDYWQPXMR-VWPFQQQWSA-N 358.306 1.353 5 40 FDBB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 48306435 YEMRSNPHTJVILO-CJNGLKHVSA-N 360.414 1.406 5 40 FDBB CCOC(=O)c1cn(N(C)C=O)c2c([N+](=O)[O-])c(Cl)c(F)cc2c1=O 255189284 OWOSZOKECXBTIW-UHFFFAOYSA-N 371.708 1.603 5 40 FDBB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3cccc([N+](=O)[O-])c3)cnc21 10250822 DSRDPCRFKATRTR-UHFFFAOYSA-N 356.342 1.640 5 40 FDBB C[C@H]1C[C@H](C)CN(c2nc(NCCCN(C)C)nc(N)c2[N+](=O)[O-])C1 5163719 OHSCHFBZEVNXCV-RYUDHWBXSA-N 351.455 1.813 5 40 FDBB CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccccc1F 19324067 NLBKEHAWOKLJLX-UHFFFAOYSA-N 350.350 1.526 5 40 FDBB biogenic Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 17052318 KJIVAIXJOHRVHQ-UHFFFAOYSA-N 374.382 1.357 5 40 FDBB COc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c([N+](=O)[O-])c1 5293303 QGRXESXZHUZDCA-UHFFFAOYSA-N 362.342 1.407 5 40 FDBB O=C(O)[C@H]1Cc2ccccc2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] 580838341 FBOIHDQGWPGTCN-NVXWUHKLSA-N 372.377 1.846 5 40 FDBB CNC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 9338408 JQUWRAFSGPKBLT-UHFFFAOYSA-N 365.367 1.764 5 40 FDBB O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccnc1-n1cncn1 47122059 CGSGLAAPMZBDPJ-UHFFFAOYSA-N 367.369 1.689 5 40 FDBB O=C(c1cccc([N+](=O)[O-])c1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 2927873 JBJCOCARTSSTIC-UHFFFAOYSA-N 367.361 1.649 5 40 FDBB CCOC(=O)N[C@@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 48287942 OKRHUNQJLYWMOW-LLVKDONJSA-N 364.358 1.671 5 40 FDBB COC(=O)CCN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C 95992834 DMPILVPCXOSDRE-NSHDSACASA-N 369.805 1.958 5 40 FDBB CCN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccccc3F)n2)CC1 5025473 ANQBOEGLNGYETE-UHFFFAOYSA-N 361.381 1.992 5 40 FDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(N)=O)c1 29323325 MMUHTIZQVBVQCE-UHFFFAOYSA-N 366.355 1.895 5 40 FDBB Cc1noc([C@H]2CCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)n1 89721068 IHLOTGCWXHLAPU-ZDUSSCGKSA-N 366.399 1.996 5 40 FDBB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 223643809 UPBKRKLOPOMKHF-UHFFFAOYSA-N 365.367 1.764 5 40 FDBB COC(=O)c1sc2ncn3nc(-c4nn(C)cc4[N+](=O)[O-])nc3c2c1C 2791104 CQWZZVQYFDVXNF-UHFFFAOYSA-N 373.354 1.743 5 40 FDBB O=C(C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1cccs1 103751139 LWVHIZZHCAGEGE-BXUZGUMPSA-N 371.330 1.783 5 40 FDBB CCCCn1c(=O)c(F)cn(Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 1864858 BFBOGOOLMPHJJH-UHFFFAOYSA-N 351.334 1.914 5 40 FDBB CNC(=O)[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2O1 10032448 OUUDHOLRRICZPR-MRXNPFEDSA-N 371.349 1.514 5 40 FDBB CS(=O)(=O)c1ccc(C(=O)N=c2[nH]c3ccccc3[nH]2)cc1[N+](=O)[O-] 6646534 GXGRKFDZRLCDSF-UHFFFAOYSA-N 360.351 1.549 5 40 FDBB O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408640079 AGTXHHZRNMTLHL-GXYBRJDSSA-N 353.334 1.293 5 40 FDBB COCCn1nc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1=O 49655121 GITIDJPVBRDHFU-GFCCVEGCSA-N 360.370 1.631 5 40 FDBB Cc1cc(CN(C)C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)no1 25135352 SSFOSGDFIQTPMR-UHFFFAOYSA-N 358.310 1.146 5 40 FDBB CCN1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 104272256 BZWTZGOVCSUDMR-XQLPTFJDSA-N 368.349 1.007 5 40 FDBB CC(C)CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 4960626 DTJUYQFKFAQSRK-CYBMUJFWSA-N 370.427 1.645 5 40 FDBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCC(N)=O 7274987 LQRSZYXHHXQQAL-UHFFFAOYSA-N 374.397 1.669 5 40 FDBB COc1ccc([N+](=O)[O-])cc1CSc1nnc(N2CCOCC2)n1C 32922661 XBMMDAJNAMWHMN-UHFFFAOYSA-N 365.415 1.861 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C1=O 409286332 PTLFTSKVWDDFET-KHSSZTOVSA-N 372.333 1.089 5 40 FDBB O=C1[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 229800682 RBJOPGJGKFHFCD-ASHKBJFXSA-N 350.714 1.054 5 40 FDBB Cc1nn(CC(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1[N+](=O)[O-] 21573761 OCGQJIMPEWKQQX-UHFFFAOYSA-N 357.414 1.753 5 40 FDBB CC=C1C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@+]3([O-])CC[C@H](OC1=O)[C@@H]23 2356096489 PLGBHVNNYDZWGZ-RYSTZINWSA-N 351.399 1.205 5 40 FDBB COCCn1nc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1=O 49655119 GITIDJPVBRDHFU-LBPRGKRZSA-N 360.370 1.631 5 40 FDBB O=C(O)CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 2271433 YENWHBXQSZDNOE-RAXLEYEMSA-N 373.321 1.550 5 40 FDBB COC(=O)c1cc(C(=O)N2CCN(c3ncccn3)CC2)cc([N+](=O)[O-])c1 3603585 FLNJHUDJIDMQFE-UHFFFAOYSA-N 371.353 1.134 5 40 FDBB COC(=O)/C=C(\Nc1ccc([N+](=O)[O-])cc1Br)C(=O)OC 101262918 YAXWAGPNEFTVTH-POHAHGRESA-N 359.132 1.999 5 40 FDBB O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(C(=O)C2CC2)CC1 32992821 WCOGQTMSHROYLG-UHFFFAOYSA-N 369.381 1.475 5 40 FDBB CC(C)(S[C@@H]1CC(=O)N(c2ccccc2[N+](=O)[O-])C1=O)[C@H](N)C(=O)O 19594194 SCDPTTDPWGMGSY-ZYHUDNBSSA-N 367.383 1.150 5 40 FDBB C[C@H]1CN(C(C)(C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 21051907 OZZOHABKJHKSRW-KBPBESRZSA-N 365.430 1.978 5 40 FDBB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCc1cccc([N+](=O)[O-])c1 102129720 QOFRRFCDDQFZOX-GASCZTMLSA-N 358.350 1.979 5 40 FDBB O=C(CSc1n[nH]c(=O)n1-c1ccncc1)Nc1ccc([N+](=O)[O-])cc1 27643483 ZMSPPQWKMWJHLG-UHFFFAOYSA-N 372.366 1.595 5 40 FDBB CCOC(=O)[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2OC)C1 45958680 GVFRSHJJTRIGHF-NSHDSACASA-N 351.359 1.427 5 40 FDBB Cn1cnc([N+](=O)[O-])c1N1CCN(c2nccc(C(F)(F)F)n2)CC1 29431708 FBPNPDVTGAWCJS-UHFFFAOYSA-N 357.296 1.464 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)cc1 33014984 LNQDAXSMMQUWOW-ZWKOTPCHSA-N 365.430 1.273 5 40 FDBB C[C@]12CCCCN1c1ccc([N+](=O)[O-])cc1CC21C(=O)NC(=O)NC1=O 17206386 ZDGMVPSDEKWDII-MRXNPFEDSA-N 358.354 1.252 5 40 FDBB CC[C@H](C)NC(=O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 46054400 WFBXJOXGLUCNET-HNNXBMFYSA-N 364.446 1.506 5 40 FDBB CCN1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 45805644 BUMIFSWVDRWNLV-UHFFFAOYSA-N 357.432 1.708 5 40 FDBB COC(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c([N+](=O)[O-])c1 24937783 KPGGRCKYZCVHKL-UHFFFAOYSA-N 373.321 1.498 5 40 FDBB COc1ccccc1-n1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O 40398693 CAHKUWLZBYFIRN-UHFFFAOYSA-N 362.389 1.907 5 40 FDBB Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 48344891 BOWYQJXAXZTQIT-UHFFFAOYSA-N 372.385 1.066 5 40 FDBB C[C@H]1CN(S(=O)(=O)CCNc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 40091238 WQUFMGQHTBRNBR-QWRGUYRKSA-N 361.395 1.585 5 40 FDBB COC(=O)c1ccc(OCC(=O)NCCOc2ccccc2)c([N+](=O)[O-])c1 24938090 TXUWYCLWEYLRQC-UHFFFAOYSA-N 374.349 1.955 5 40 FDBB CC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 22412405 YHZKMHVDRGJQAD-LBPRGKRZSA-N 355.416 1.474 5 40 FDBB NS(=O)(=O)c1ccc(OCCOc2ccc(F)cc2)c([N+](=O)[O-])c1 24830774 IKSPXRIJMVPGGU-UHFFFAOYSA-N 356.331 1.839 5 40 FDBB O=c1c2nn(Cc3ccc([N+](=O)[O-])cc3)c(=O)n2ccn1-c1ccccc1 225547167 YHTFQPBUUYRYSJ-UHFFFAOYSA-N 363.333 1.603 5 40 FDBB CC(=O)Nc1nnc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)s1 224178722 KTWJWUMJICUHMH-UHFFFAOYSA-N 357.373 1.514 5 40 FDBB CCC(=O)N1C(=O)[C@H](C)[C@]23c4cccc([N+](=O)[O-])c4C(=O)N2CCCN13 1590833 SVWKMRNBDRQCKA-BTDLBPIBSA-N 358.354 1.239 5 40 FDBB COc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)c([N+](=O)[O-])cc1O 9318938 LLSCBDZEBXYCBN-AWEZNQCLSA-N 354.326 1.755 5 40 FDBB CCCC(=O)NCC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 40086574 ZUAXZEQQUNYSJG-UHFFFAOYSA-N 353.375 1.187 5 40 FDBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC(=O)c1cnccn1 48374855 ZHSJXZBTFQVWOR-LBPRGKRZSA-N 357.370 1.724 5 40 FDBB CN(Cc1ccccc1)C[C@H](O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 602965838 PGHRCLVGYPKDQP-WOJBJXKFSA-N 373.453 1.885 5 40 FDBB Cn1c(=O)c2c(nc3n4ccc5cc(Cl)ccc5c4cn23)n(C)c1=O 4386630 FWGYNUHVGMJNNM-UHFFFAOYSA-N 353.769 1.944 5 40 FDBB CC(=O)Oc1c(C(OC(C)=O)OC(C)=O)ccc([N+](=O)[O-])c1OC(C)=O 1621480 XAQPRWLPUCDABJ-UHFFFAOYSA-N 369.282 1.570 5 40 FDBB CC(C)NS(=O)(=O)c1ccc(NCCCn2ccnc2)c([N+](=O)[O-])c1 6510463 HNVKJRHJNXHOGV-UHFFFAOYSA-N 367.431 1.980 5 40 FDBB COc1ccc(OC)c2c1CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]2O 21674307 LERFHNFWFRKPTC-AWEZNQCLSA-N 373.365 1.765 5 40 FDBB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 26483150 WNBJGQNXPXOHJB-ZBFHGGJFSA-N 361.446 1.807 5 40 FDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1C1OCCO1 60348766 RXOJPUPNDWZDFX-LBPRGKRZSA-N 372.399 1.520 5 40 FDBB Cn1cccc1C(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 2634860 JKQSCFMQJVYSNL-UHFFFAOYSA-N 365.729 1.700 5 40 FDBB CC(C)c1[nH]nc(C(=O)NC[C@@H]2CCO[C@H]2c2nccn2C)c1[N+](=O)[O-] 598318554 HUXMIYOFCQEPTH-IINYFYTJSA-N 362.390 1.682 5 40 FDBB Nc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1[N+](=O)[O-] 24261467 JWIFLPFOXWSHDZ-UHFFFAOYSA-N 364.339 1.309 5 40 FDBB COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1OC 12949721 IPYODELJUMOZFJ-TXEJJXNPSA-N 368.386 1.878 5 40 FDBB COC(=O)c1ccc(OC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1 4357847 XBMDKLNCMLIFDU-UHFFFAOYSA-N 362.319 1.909 5 40 FDBB C[C@H](NC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1)[C@H]1C[C@@H]2CC[C@@H]1C2 100212450 SEBGYLOGMMSARR-IRCOFANPSA-N 360.374 1.777 5 40 FDBB COc1ccccc1C(=O)N1CCCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 57142387 GBUSBMYGBMSQHB-UHFFFAOYSA-N 373.413 1.998 5 40 FDBB CC(=O)NCCC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 8724195 QRQZDNXWQVUWAL-QMMMGPOBSA-N 357.750 1.645 5 40 FDBB C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 42788068 WNOWKHBIRIUKIL-KRWDZBQOSA-N 360.370 1.421 5 40 FDBB COc1ccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 7944447 LYAULDDGHGBYRU-UHFFFAOYSA-N 357.322 1.968 5 40 FDBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2CC12C(=O)N(C)C(=O)N(C)C2=O 5422401 NWQNWXWBMIGYNM-CQSZACIVSA-N 374.397 1.793 5 40 FDBB CCN(C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 14242851 YGLRJMQMYUFHGD-RYUDHWBXSA-N 356.400 1.398 5 40 FDBB Cc1ccc(O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 7821642 BQWSZDPNFZYHSS-RYUDHWBXSA-N 356.400 1.316 5 40 FDBB COc1ccc(-n2ccc3nc4ccn(N(C)C)c(=O)c4cc3c2=O)cc1 40398695 YJNBNQHQCBEVBY-UHFFFAOYSA-N 362.389 1.907 5 40 FDBB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1=O 3308924 SAUOQVCUBHLDPQ-UHFFFAOYSA-N 352.322 1.783 5 40 FDBB Cc1cc(C(=O)NCC(=O)OCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 6560427 YTJLWBIHEHUWBY-UHFFFAOYSA-N 352.343 1.518 5 40 FDBB Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)N(C)C 13891881 JTEOXFKMASFWSS-UHFFFAOYSA-N 370.412 1.862 5 40 FDBB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)N(C)C(=O)N1C 9721275 BAARTLCCZHABHO-INIZCTEOSA-N 374.397 1.766 5 40 FDBB Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C3N=C(CC(C)C)NN32)cc1[N+](=O)[O-] 199423352 OVLMBHZPUBKSLL-ZDUSSCGKSA-N 372.385 1.761 5 40 FDBB CCOC(=O)c1nn(CC)cc1NC(=O)Cn1ncc([N+](=O)[O-])c1C 2732261 QEKCDTPDDQLPPT-UHFFFAOYSA-N 350.335 1.132 5 40 FDBB CN(C)S(=O)(=O)c1ccc(OCCn2cc([N+](=O)[O-])ccc2=O)cc1 24710187 JEYDOZFFLYPVIV-UHFFFAOYSA-N 367.383 1.086 5 40 FDBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCS(=O)(=O)C1 12527951 FOKBCQFEDNXMRY-ZDUSSCGKSA-N 370.430 1.458 5 40 FDBB CC1CCN(S(=O)(=O)c2ccc(NC[C@@H](C)O)c([N+](=O)[O-])c2)CC1 6654436 DSHSWYFFBLMZGC-GFCCVEGCSA-N 357.432 1.808 5 40 FDBB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 56273202 UEUNHWGFBUCRFK-HNNXBMFYSA-N 374.397 1.699 5 40 FDBB O=c1/c(=C/c2cccs2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2 1312767 STCFDAUTWHMDRX-ZSOIEALJSA-N 372.431 1.763 5 40 FDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CCc2ccccc21 14683039 RWTPZFBAIXOQRT-CQSZACIVSA-N 365.345 1.995 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O 225203659 JFTFNCUILJQRMS-LBPRGKRZSA-N 357.432 1.830 5 40 FDBB O=C1c2ccccc2C(=O)N1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 11654780 BMABHFKHUCFALU-UHFFFAOYSA-N 351.318 1.780 5 40 FDBB COc1cccc(N(CC(=O)O)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 113879566 MZNDQOSOGGFKGL-UHFFFAOYSA-N 366.351 1.883 5 40 FDBB CCc1[nH]nc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1[N+](=O)[O-] 552964348 ANCKGZFTLSEMFI-JTQLQIEISA-N 363.349 1.093 5 40 FDBB NC(=O)CNC(=O)c1ccc(CNC(=O)Nc2ccccc2[N+](=O)[O-])cc1 40151580 BNUDVWABTYBTBX-UHFFFAOYSA-N 371.353 1.132 5 40 FDBB O=c1[nH]c(N2CCOCC2)nc2nccc(-c3cccc([N+](=O)[O-])c3)c12 12391984 CSUSQICWOQYNTP-UHFFFAOYSA-N 353.338 1.730 5 40 FDBB O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H](O)COCc1cccs1 9690789 GULDSKKALQCSJT-GFCCVEGCSA-N 361.379 1.944 5 40 FDBB COCc1n[nH]c(-n2ccc3nc4ccn(C5CC5)c(=O)c4cc3c2=O)n1 40398989 YAICLKWQLJPABR-UHFFFAOYSA-N 364.365 1.300 5 40 FDBB COC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)c1=N 100751574 IXUZBAYTXRHLJG-UHFFFAOYSA-N 370.409 1.730 5 40 FDBB biogenic CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1 36035420 NXFOVEOXNFXSPI-AWEZNQCLSA-N 365.342 1.508 5 40 FDBB NC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 9515890 HNCIRFUVPPXFLZ-CYBMUJFWSA-N 369.786 1.753 5 40 FDBB CCN1CCN(c2nc(NCCc3ccccc3)nc(N)c2[N+](=O)[O-])CC1 5120024 GSWOQUQWJHZLMR-UHFFFAOYSA-N 371.445 1.764 5 40 FDBB COC(=O)[C@]1([C@H](C[N+](=O)[O-])c2ccco2)C(=O)NC[C@@H]1c1ccccc1 1797406 VAZFXBUZRINRPN-HBUWYVDXSA-N 358.350 1.713 5 40 FDBB COc1cc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc(OC)c1OC 8683794 IKOAQRFPBNPCOL-UHFFFAOYSA-N 364.310 1.837 5 40 FDBB COc1cc(OCC(=O)NC[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] 68754848 HCVRYKQPXQCQMH-ZDUSSCGKSA-N 374.349 1.938 5 40 FDBB CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 409028402 NJMMHYGPRGGMQG-UHFFFAOYSA-N 355.416 1.810 5 40 FDBB CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N 100631393 SGAOBEPXSGSOJT-UHFFFAOYSA-N 374.404 1.240 5 40 FDBB COCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 59505202 SHXRVGFKFIZOQW-UHFFFAOYSA-N 353.316 1.796 5 40 FDBB C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1O)N1CCc2ccccc2C1 25637474 SHFBDHRANWZNQZ-GFCCVEGCSA-N 356.382 1.872 5 40 FDBB CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 47497550 POIBCBFGXPGSIK-GFCCVEGCSA-N 374.440 1.572 5 40 FDBB O=C1Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2S(=O)(=O)[C@@H]1c1ccccc1 8426269 AUYAEXPFHQHAQM-CYBMUJFWSA-N 363.307 1.970 5 40 FDBB CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccc(F)cc1 19324221 SQOKPADBERIOQM-UHFFFAOYSA-N 350.350 1.526 5 40 FDBB biogenic Cc1nn(C)c(NCc2cccc(C(=O)N3CCOCC3)c2)c1[N+](=O)[O-] 58218870 BVJMBPZWLGRCFM-UHFFFAOYSA-N 359.386 1.721 5 40 FDBB O=C(CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])Nc1ccc(O)cc1 62587273 NTJMYJFOWUPAKS-UHFFFAOYSA-N 355.310 1.359 5 40 FDBB CCS(=O)(=O)N1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 25953512 LUNFWPVTNVZBQA-BQYQJAHWSA-N 367.427 1.538 5 40 FDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(Cl)ccc1-n1cncn1 6119910 ZZMHAIUCNBCMMA-UHFFFAOYSA-N 374.744 1.629 5 40 FDBB O=C(NCCCO)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 1768628 XPEWAVAMRPTFLX-GHRIWEEISA-N 369.377 1.864 5 40 FDBB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c([N+](=O)[O-])c1 10219933 UQMKBSAMOFVSMW-MRXNPFEDSA-N 362.342 1.262 5 40 FDBB O=C(NCCCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 48306440 UNNRVWINOCHHNK-UHFFFAOYSA-N 360.414 1.550 5 40 FDBB CC1CCN(c2nc(N3C[C@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])CC1 13281918 WAIBTSKBSJNYCJ-TXEJJXNPSA-N 350.423 1.817 5 40 FDBB CNc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1[N+](=O)[O-] 6509462 FDNGEKYCYXXRJZ-UHFFFAOYSA-N 364.358 1.562 5 40 FDBB O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C2CCCC2)CC1 46198318 GCVJWGXFGBDANK-UHFFFAOYSA-N 361.398 1.835 5 40 FDBB CCOC(=O)C1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 6891696 PANZCADXQFMMJU-HNNXBMFYSA-N 352.387 1.610 5 40 FDBB C[C@@H](Cc1ccc(Br)cc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 58227157 XAEYOMCJRJXGAC-VIFPVBQESA-N 368.191 1.696 5 40 FDBB C[N+]1(CC2CC2)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]21 100523876 QVVOZYKELHAIPX-YQYTWRHESA-N 358.458 1.843 5 40 FDBB in-man CS(=O)(=O)Nc1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)ccc1F 24462448 UUHSTTGZAYXBSR-UHFFFAOYSA-N 368.346 1.940 5 40 FDBB COc1nccnc1N(C(C)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 642882007 SEEXZFXNONPKOP-UHFFFAOYSA-N 352.328 1.135 5 40 FDBB CC(C)(C)NS(=O)(=O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1 8054676 FVWFZPRZDJOXBL-UHFFFAOYSA-N 357.432 1.633 5 40 FDBB CC[C@H](C)N(C(=O)Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 7391528 HMXPXDWBXYCEJF-GXFFZTMASA-N 372.447 1.222 5 40 FDBB COc1ccc(Nc2nc(N3CCN(C)CC3)nc(N)c2[N+](=O)[O-])cc1 5054758 NFYKLTWUEOXNHN-UHFFFAOYSA-N 359.390 1.471 5 40 FDBB O=c1c2cnc(N3CCOCC3)nc2ccn1-c1ccccc1[N+](=O)[O-] 19974162 YRVNQGRAJQZKEL-UHFFFAOYSA-N 353.338 1.526 5 40 FDBB O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](N2CC=CC2)C1 101277859 OPKZIZCMYTWEAF-INIZCTEOSA-N 353.382 1.867 5 40 FDBB COc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)c([N+](=O)[O-])cc1O 9318934 LLSCBDZEBXYCBN-CQSZACIVSA-N 354.326 1.755 5 40 FDBB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 45520762 IWEDULMAXLIMAA-UHFFFAOYSA-N 356.381 1.799 5 40 FDBB Cn1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc21 100861082 MNBJUXRPFAIMNC-UHFFFAOYSA-N 359.389 1.596 5 40 FDBB COc1ccc(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 5250772 XZVUQGSDRYLCGV-UHFFFAOYSA-N 373.365 1.909 5 40 FDBB CCOCC(=O)NN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O 2597873 ILHFXEIFVHJZPM-XFFZJAGNSA-N 351.340 1.699 5 40 FDBB CCOC(=O)CCCNC(=O)COC(=O)c1cccc([N+](=O)[O-])c1C 3444270 RMMHXGSFSGOUBA-UHFFFAOYSA-N 352.343 1.520 5 40 FDBB COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 6170050 HIIURGRDBJFKAI-JTQLQIEISA-N 371.342 1.035 5 40 FDBB CNS(=O)(=O)c1ccc(N2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])c1 60362974 NQBVEOHBSKJKRS-NSHDSACASA-N 371.415 1.092 5 40 FDBB O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(CCc2ccncc2)CC1 21149623 HBDFXFIMQDCZQF-UHFFFAOYSA-N 370.409 1.756 5 40 FDBB CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 12526304 RJGRHADFJBXSNL-UHFFFAOYSA-N 371.396 1.767 5 40 FDBB NS(=O)(=O)c1ccc(NCCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 26760358 LELMTRAZOMMPSK-UHFFFAOYSA-N 365.367 1.626 5 40 FDBB CC(=O)C(C(C)=O)[C@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1 100702875 PHJVQJFVPDXAEK-GDBMZVCRSA-N 365.407 1.912 5 40 FDBB O=C(c1ccoc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 16230820 ZPTLZENGGLSJAC-UHFFFAOYSA-N 365.367 1.335 5 40 FDBB Cc1cc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)no1 51592285 NRCYWFNXJZIPKZ-UHFFFAOYSA-N 359.386 1.960 5 40 FDBB CNc1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1[N+](=O)[O-] 105740778 SLDDBXBZEKDTSV-TVXJZBATSA-N 361.423 1.611 5 40 FDBB COCCNc1nc(N)c([N+](=O)[O-])c(Nc2cc(OC)ccc2OC)n1 9312407 ZNTAJOLRZLVHML-UHFFFAOYSA-N 364.362 1.786 5 40 FDBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NOCc1ccccc1 25038669 FXQZQTDEOMYGIF-UHFFFAOYSA-N 357.322 1.568 5 40 FDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCc1ccc(F)cc1 7653733 NMKXNUJLFSEKTK-UHFFFAOYSA-N 371.324 1.689 5 40 FDBB O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 534729691 YRVIDXRHNMEWFF-PRHODGIISA-N 362.260 1.851 5 40 FDBB O=c1[nH]c(=O)c2ccc3c(=O)n(Cc4cccnc4)c(=O)c4ccc1c2c43 227116733 LVKGWBQBWWEVGB-UHFFFAOYSA-N 357.325 1.036 5 40 FDBB COC(=O)C(Br)(C(=O)OC)[C@H](C[N+](=O)[O-])c1ccccc1 3115641 JCIAXZIDRYKZPV-SNVBAGLBSA-N 360.160 1.527 5 40 FDBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CN(c1ccccc1)CN=2 2331240 PTTUNTQAUOOFBG-YBEGLDIGSA-N 366.402 1.702 5 40 FDBB CC(C)[C@@H](C)NC(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 5391168 NSZMUMQOYMIMRC-SNVBAGLBSA-N 352.343 1.684 5 40 FDBB O=C(CN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1)N1CCCC1 42109631 CEMOZDQYXNQDCN-UHFFFAOYSA-N 369.425 1.887 5 40 FDBB CC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 4579915 APDRLXIFLPFQCJ-UHFFFAOYSA-N 371.415 1.283 5 40 FDBB Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1ncnc2nc[nH]c12 22188176 FKIOIZWLFWRNKZ-SECBINFHSA-N 370.325 1.754 5 40 FDBB O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1cccnc1-n1cncn1 58198388 LXIGVMRDYLMAEW-BQYQJAHWSA-N 350.338 1.900 5 40 FDBB CC(C)C(=O)N1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 9117766 WBWKNMLMYUYZMA-UHFFFAOYSA-N 360.414 1.792 5 40 FDBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H](N2CCC(C(=O)O)CC2)C1=O 18063877 MPZGXFYQMBWPJM-AWEZNQCLSA-N 361.354 1.332 5 40 FDBB CCS[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4826230 ITLKWOMIUSUUOR-WUHRBBMRSA-N 359.360 1.115 5 40 FDBB CNC(=O)NC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 21330472 YQNAIZZEHQKPPC-CQSZACIVSA-N 372.337 1.531 5 40 FDBB CCCOc1ccc(S(=O)(=O)n2cc(F)c(O)nc2=O)cc1[N+](=O)[O-] 27532763 RCEHOLIATAHQOL-UHFFFAOYSA-N 373.318 1.022 5 40 FDBB Cc1c(C)n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2[nH]c1=O 12237599 TZPKAJIGBVOSKU-UHFFFAOYSA-N 374.382 1.673 5 40 FDBB COC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 31571995 UFBNHBGFCUAHDT-CQSZACIVSA-N 365.386 1.419 5 40 FDBB Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 9707789 AZBXDDPLNBYGJA-UHFFFAOYSA-N 371.382 1.693 5 40 FDBB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 8036095 NXWIVQITQRJSTR-UHFFFAOYSA-N 356.381 1.799 5 40 FDBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nn1cnc2ccccc21 12627545 NVRWLFCWGPBHHL-UHFFFAOYSA-N 353.338 1.835 5 40 FDBB CCCn1ccc2nc3ccn(-c4nc(SC)n[nH]4)c(=O)c3cc2c1=O 40398853 LAOBDGWAHWNKGO-UHFFFAOYSA-N 368.422 1.951 5 40 FDBB C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N1CCNC1=O 32776199 LIULMMLDAQSVPO-SNVBAGLBSA-N 363.370 1.989 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1nccn1C)C1CC1 55257910 LBLQTDPNHFAHRM-UHFFFAOYSA-N 350.400 1.990 5 40 FDBB Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1ncnc2nc[nH]c12 22188179 FKIOIZWLFWRNKZ-VIFPVBQESA-N 370.325 1.754 5 40 FDBB O=c1c2cc3c(=O)n(-c4ccn[nH]4)ccc3nc2ccn1C[C@@H]1CCCO1 40399060 ICACQKNKCPRQQY-LBPRGKRZSA-N 363.377 1.603 5 40 FDBB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCc1cccc([N+](=O)[O-])c1 11673017 QOFRRFCDDQFZOX-HUUCEWRRSA-N 358.350 1.979 5 40 FDBB CCOC(=O)c1cnn(C)c1NC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 2731590 DMKILUMUMCLFFI-UHFFFAOYSA-N 370.753 1.384 5 40 FDBB Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCCCC2)cc1[N+](=O)[O-] 5747287 YFDUQZKDFIMEFL-UHFFFAOYSA-N 370.431 1.377 5 40 FDBB Cc1[nH]nc(O)c1C(c1cc([N+](=O)[O-])c(O)cc1O)c1c(O)n[nH]c1C 20131004 RGXXLKLIJCOKHR-UHFFFAOYSA-N 361.314 1.660 5 40 FDBB CN(CCOc1ccc(Cl)cc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 7020402 ZCSFHMKKWFLVNT-UHFFFAOYSA-N 365.773 1.947 5 40 FDBB Cc1cc(NC(=O)CN2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)no1 52355425 WAXVHFDYSHSQEB-UHFFFAOYSA-N 373.413 1.690 5 40 FDBB Nc1ncc([N+](=O)[O-])cc1C(=O)OCCCN1C(=O)c2ccccc2C1=O 95466490 HJEIZTOZGHGKAV-UHFFFAOYSA-N 370.321 1.415 5 40 FDBB Nc1ccc(NC(=O)C[C@@H](NCCc2ccccc2)C(=O)O)cc1[N+](=O)[O-] 65090395 OXDRQJXIFIFQKV-OAHLLOKOSA-N 372.381 1.791 5 40 FDBB CCCn1nnc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 1850810 LGIFCSIQOMBXBR-UHFFFAOYSA-N 369.794 1.772 5 40 FDBB C[C@@]12CCCCN1c1ccc([N+](=O)[O-])cc1CC21C(=O)NC(=O)NC1=O 17206383 ZDGMVPSDEKWDII-INIZCTEOSA-N 358.354 1.252 5 40 FDBB COc1cc([N+](=O)[O-])cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1O 16194935 GKWRNRXRNXFSPK-NSCUHMNNSA-N 350.243 1.177 5 40 FDBB O=c1[nH]c(=O)c2ccc3c(=O)n(-c4cccc(O)c4)c(=O)c4ccc1c2c43 227116696 USPFLGXNTHIXTM-UHFFFAOYSA-N 358.309 1.287 5 40 FDBB O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5263127 UIJUBXHXEBAIGZ-UHFFFAOYSA-N 367.365 1.982 5 40 FDBB COc1ccc(CN[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1F 32819304 ZXENUEZYMDRYMQ-WBVHZDCISA-N 350.346 1.927 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 17282886 WSAJIIYWSHHOIZ-GFCCVEGCSA-N 359.835 1.557 5 40 FDBB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1cc([N+](=O)[O-])ccc1Cl 13006027 UFBFDNGBQZFEIL-UHFFFAOYSA-N 351.702 1.677 5 40 FDBB CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 7804985 DFRSOSXUCLKSJD-UHFFFAOYSA-N 369.443 1.864 5 40 FDBB COC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 75109609 IXCOMBZNRKOKJZ-SNVBAGLBSA-N 362.791 1.868 5 40 FDBB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C(=O)C2CC2)CC1 48375049 PAECSNNBEOULKG-UHFFFAOYSA-N 367.789 1.708 5 40 FDBB CC(C)(C)N1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 7451291 OZDABJZIEHBBDC-AWEZNQCLSA-N 374.441 1.890 5 40 FDBB CCN(C(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 14242849 YGLRJMQMYUFHGD-NEPJUHHUSA-N 356.400 1.398 5 40 FDBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1cc(O)nc(O)n1 408718281 QJLCSJQOBQEJLH-UHFFFAOYSA-N 360.311 1.567 5 40 FDBB C[C@H]1CCCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)C1 13668554 YYRHXJCVSRVUKU-LBPRGKRZSA-N 355.416 1.619 5 40 FDBB COc1cc(C(=O)/N=c2\sccn2C)c([N+](=O)[O-])c(OC)c1OC 29763066 WQCUWEIDRPMJRO-PFONDFGASA-N 353.356 1.762 5 40 FDBB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 102179850 RVRXKNMUJNHZMO-CLROSIBMSA-N 371.393 1.766 5 40 FDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 40105044 LKINEXRVAZXVIQ-LLVKDONJSA-N 355.416 1.366 5 40 FDBB COc1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] 3442534 LXWQXAKKGWALBH-UHFFFAOYSA-N 373.321 1.498 5 40 FDBB CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)N(C1CC1)C(=S)N=C2O 8741440 UGKWOOJVLXCALE-MRXNPFEDSA-N 360.395 1.820 5 40 FDBB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC[C@@H](C)O)c([N+](=O)[O-])c2)C1 8177665 MEBCFPHIGHVJIN-NWDGAFQWSA-N 357.432 1.808 5 40 FDBB O=c1[nH]c(=O)c2ccc3c(=O)n(-c4ccccc4O)c(=O)c4ccc1c2c43 227116719 RWVAIOIQEKESIP-UHFFFAOYSA-N 358.309 1.287 5 40 FDBB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc([N+](=O)[O-])c1 16248325 GCUXEOGDEIHEEP-YWPYICTPSA-N 367.427 1.666 5 40 FDBB C[C@@H](OC(=O)c1nccnc1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16669463 KAHIGPFNOCYOHF-MRVPVSSYSA-N 356.298 1.935 5 40 FDBB CCOC(=O)[C@H]1CCC(=O)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 17002124 HFAKOOXHBCFGBF-LLVKDONJSA-N 351.271 1.197 5 40 FDBB O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] 58218736 ZDXZAEBHZMCUAS-NSHDSACASA-N 360.322 1.493 5 40 FDBB C[C@H]([C@H](c1ccccc1)[C@@H]1CC[C@@](C(N)=O)(N2CCOCC2)C1)[N+](=O)[O-] 34807053 XHPZVUCNLRFGTA-KLICCBINSA-N 361.442 1.792 5 40 FDBB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 408548293 FVYIKUVZNPZIMW-NTEUORMPSA-N 370.321 1.451 5 40 FDBB CC(=O)Nc1nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(=S)s1 16321591 YBEMHJZLZRPYHT-UHFFFAOYSA-N 360.398 1.778 5 40 FDBB CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(O)n[nH]c2C[C@@]1(C)O 4754951 UDVQDRNFAAQHTD-DXCKQFNASA-N 361.354 1.642 5 40 FDBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3520771 WAJSRKDKMNXGDX-SNVBAGLBSA-N 365.367 1.648 5 40 FDBB O=C1COc2cc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])ccc2N1 24970839 BFUMHXWUGNSMQW-UHFFFAOYSA-N 371.305 1.721 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc[n+]([O-])c1 6586983 HRHSEORAKUBTHO-SNVBAGLBSA-N 361.310 1.421 5 40 FDBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(C)C2=O 8973850 WREGGTFMZQUSLS-CXAGYDPISA-N 360.370 1.450 5 40 FDBB Cc1cc(OCC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)ccc1[N+](=O)[O-] 29444031 RNYZIZHVRRNQQE-MRXNPFEDSA-N 371.349 1.562 5 40 FDBB C[C@H](NC(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccco1 32745403 XSASFYZGOJWKHP-VIFPVBQESA-N 362.294 1.951 5 40 FDBB Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)NC(=O)NCc1ccco1 9544614 MUWCUOGDWIOLOV-UHFFFAOYSA-N 361.310 1.679 5 40 FDBB CCCn1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 17074379 VSLVGIRVVSZKCW-UHFFFAOYSA-N 361.362 1.080 5 40 FDBB COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NS(C)(=O)=O 46378104 HJBVSWSDSCIKNI-UHFFFAOYSA-N 355.328 1.820 5 40 FDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c1C 13000368 BVRLWMYKAIQYEI-UHFFFAOYSA-N 367.427 1.455 5 40 FDBB C[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 6328582 SRJDMPNHJZQOAJ-ZDUSSCGKSA-N 369.443 1.852 5 40 FDBB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 6320023 HWVFBVZKAFKQRL-UHFFFAOYSA-N 373.321 1.759 5 40 FDBB C[C@H]1CCCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 6911932 MQSARRGEYJLIQN-ZDUSSCGKSA-N 369.443 1.995 5 40 FDBB Cc1c(COC(=O)[C@H]2[C@H]3C(=O)N(C)C(=O)[C@@H]3C=C[C@H]2C)cccc1[N+](=O)[O-] 84041582 PVAIHHIQTBZAQW-NMFKLSHFSA-N 372.377 2.000 5 40 FDBB CCOC(=O)[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 75110659 NOSKYKMNSWFOOT-MRVPVSSYSA-N 350.780 1.820 5 40 FDBB CCN(CC)CCCN[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O 54173046 JSCMWLRJVUGITK-OAHLLOKOSA-N 366.418 1.698 5 40 FDBB O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nn[nH]n1 1772617223 AQJFPDDDKBWBAG-UHFFFAOYSA-N 354.076 1.349 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1=COCCO1 6408624 WRNIUYQYMATSRK-VIFPVBQESA-N 352.299 1.362 5 40 FDBB CC=C1C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@+]3([O-])CC[C@@H](OC1=O)[C@@H]23 2356096490 PLGBHVNNYDZWGZ-STMZPRSESA-N 351.399 1.205 5 40 FDBB NS(=O)(=O)c1ccc2c(c1)CCN2CCOc1ccccc1[N+](=O)[O-] 52283114 LUYXHKZVMJSNTG-UHFFFAOYSA-N 363.395 1.684 5 40 FDBB Cc1nn(C(F)F)cc1S(=O)(=O)NCCCn1ccc([N+](=O)[O-])n1 36615135 OPXQTDLXDUXDKP-UHFFFAOYSA-N 364.334 1.060 5 40 FDBB CNC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 95681936 PGDUCPHHFAJTRS-UHFFFAOYSA-N 372.249 1.982 5 40 FDBB CC(=O)NC1(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 40151870 NBBSYTZEVBDOJO-UHFFFAOYSA-N 363.370 1.916 5 40 FDBB O=c1c2ccccc2cnn1-c1cc(N2CCNCC2)ccc1[N+](=O)[O-] 10012470 HRNTVNINKKSYRS-UHFFFAOYSA-N 351.366 1.704 5 40 FDBB O=[N+]([O-])c1c(NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)nc2ccccn12 25062499 NOTKQEZVPQYQNB-KGLIPLIRSA-N 361.402 1.392 5 40 FDBB CC(C)CCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 8380096 XVHUTRRLAMEWGY-UHFFFAOYSA-N 369.443 1.864 5 40 FDBB CC(=O)N1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 15091486 WUNYKOSYPHTTFZ-UHFFFAOYSA-N 374.441 1.938 5 40 FDBB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 46034136 HPBZIKGMWQEBJQ-LBPRGKRZSA-N 356.400 1.867 5 40 FDBB C[C@@H](c1ccc([N+](=O)[O-])cc1)n1cnc2c(N(CCO)CCO)ncnc21 5763330 PATBHNWJTWKODA-LBPRGKRZSA-N 372.385 1.135 5 40 FDBB O=C(CCS(=O)(=O)C1CCCC1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 40128366 PHXZBTPXEJRWGL-OAHLLOKOSA-N 370.427 1.492 5 40 FDBB Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C 6438956 MESODCSWFIANLP-UHFFFAOYSA-N 370.365 1.905 5 40 FDBB COc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)O 32690759 GKLOIJOZDJAZNW-RQOWECAXSA-N 363.282 1.026 5 40 FDBB NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 5007689 FBONRSSVJRZHHO-GFCCVEGCSA-N 363.399 1.610 5 40 FDBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(S(=O)(=O)c2cccs2)CC1 3435917 XKMAGPLKQHLHAS-UHFFFAOYSA-N 371.396 1.396 5 40 FDBB CCCS(=O)(=O)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 52642994 KYKFYBIWWMLFJG-UHFFFAOYSA-N 355.460 1.931 5 40 FDBB NS(=O)(=O)Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 46328116 MEMPFUQRDHGIIX-UHFFFAOYSA-N 365.367 1.401 5 40 FDBB CCCCn1nnc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)n1 57316426 OZJGDLVWGIHECE-UHFFFAOYSA-N 363.403 1.817 5 40 FDBB C[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OCCO2 19913866 MWDYMEYCEUSQDN-CYBMUJFWSA-N 370.427 1.596 5 40 FDBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1cccnc1-n1cncn1 58200766 CKFBXUBVBAVBPA-VOTSOKGWSA-N 350.338 1.900 5 40 FDBB COC(=O)c1cc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc([N+](=O)[O-])c1 6879017 AEINKMQGMPJAIG-UHFFFAOYSA-N 352.284 1.998 5 40 FDBB Cc1ccc(Cn2c(=N)c(C(N)=O)cc3c(=O)n4ccccc4nc32)cc1 100851362 ZVJVXMBYBKFPHK-UHFFFAOYSA-N 359.389 1.584 5 40 FDBB CCN(CC)CCN[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O 23230090 BMGYDQMYUVFUGQ-CQSZACIVSA-N 352.391 1.308 5 40 FDBB Cn1ncc([N+](=O)[O-])c1N1CCN(S(C)(=O)=O)c2ccccc2C1 1639746258 UUWYLFDVPMMKGY-UHFFFAOYSA-N 351.388 1.115 5 40 FDBB C[C@H]1CN(c2nc(N3CCCCCC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 19134882 PDAGPHRLABBZTF-TXEJJXNPSA-N 350.423 1.961 5 40 FDBB O=C(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc([N+](=O)[O-])cs1 103010974 GXUNGXWPKYTECE-UHFFFAOYSA-N 364.295 1.740 5 40 FDBB CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O 3311039 YGESYUDMSAYBGR-GFCCVEGCSA-N 352.322 1.639 5 40 FDBB COC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 4578517 RGVCFFIBLXCSBF-UHFFFAOYSA-N 350.352 1.963 5 40 FDBB CNC(=O)CN1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 25227221 ZRVOAIXRLIGOLK-UHFFFAOYSA-N 354.794 1.188 5 40 FDBB CS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1cccc([N+](=O)[O-])c1 96519736 KRWJOFCCKIRXJD-IUCAKERBSA-N 358.597 1.960 5 40 FDBB O=C1c2ccccc2C(=O)N1CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 3013303 KECRCNCVKSJDIF-UHFFFAOYSA-N 365.301 1.487 5 40 FDBB O=C(C1=NO[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12)c1cccs1 100354867 RZBLTGSUNCBWIN-BXUZGUMPSA-N 371.330 1.783 5 40 FDBB O=C(Cn1cnc([N+](=O)[O-])n1)NCc1cccc(OCC(F)(F)F)c1 48323523 AVJMNXCVVSDVNZ-UHFFFAOYSA-N 359.264 1.444 5 40 FDBB CC1=NN(C(=O)[C@@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)[C@@](O)(C(F)F)C1 6526431 JVZYOBGTOUYTAU-WJWGPLDTSA-N 359.333 1.606 5 40 FDBB O=C(NCCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cnccn1 9227287 SNZBUNCODNOZLE-UHFFFAOYSA-N 363.761 1.588 5 40 FDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)c1nnc2ccccn12 75107093 BPVLFUBZPRKGHQ-NSHDSACASA-N 361.383 1.985 5 40 FDBB C[C@H]([C@@H](c1ccccc1)[C@@H]1CC[C@@](C(N)=O)(N2CCOCC2)C1)[N+](=O)[O-] 34807049 XHPZVUCNLRFGTA-VYCZESIESA-N 361.442 1.792 5 40 FDBB O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2NCCOc1ccccc1F 95470269 WWZRSTXIPXTIEC-UHFFFAOYSA-N 365.342 1.851 5 40 FDBB Cc1nn(CC(=O)N(C)CC(=O)Nc2cccc(F)c2)c(C)c1[N+](=O)[O-] 8313761 MOWYDGHEMXTBKP-UHFFFAOYSA-N 363.349 1.644 5 40 FDBB Cc1cccc(C(=O)N2CCCN(CC(=O)NC(C)C)CC2)c1[N+](=O)[O-] 29026455 RJSMXFJTDUPECQ-UHFFFAOYSA-N 362.430 1.576 5 40 FDBB CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 22278817 NHVJCDDERKHMJK-UHFFFAOYSA-N 363.395 1.926 5 40 FDBB C[C@@]1(c2ccco2)NC(=O)N(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1=O 40049248 MUQIOCNJLCEIKN-OZSKJFCKSA-N 370.321 1.699 5 40 FDBB CN(Cc1ccccc1)C[C@H](O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 602965836 PGHRCLVGYPKDQP-UXHICEINSA-N 373.453 1.885 5 40 FDBB COC(=O)C[S@@](=O)c1ccc([S@](=O)C(F)(F)F)cc1[N+](=O)[O-] 5742503 VJEMWQKKPSCXAY-FCHUYYIVSA-N 359.303 1.503 5 40 FDBB O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 13476380 CXWYULPZGNRRIJ-USZNOCQGSA-N 365.139 1.800 5 40 FDBB Cc1nn([C@@H](C)C(=O)Nn2c(S)nc3ccccc3c2=O)cc1[N+](=O)[O-] 102002797 KKGACIOBDWAUOD-VIFPVBQESA-N 374.382 1.430 5 40 FDBB COc1ccc(OCCOc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 24778554 MGIHYMFAVCEUIK-UHFFFAOYSA-N 368.367 1.709 5 40 FDBB NC(=O)c1nn(Cc2cc3c(cc2Br)OCO3)cc1[N+](=O)[O-] 4717426 NBOUEIIBAMLGLX-UHFFFAOYSA-N 369.131 1.430 5 40 FDBB CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O 8997193 DQGQVAGIUNPNRS-KDOFPFPSSA-N 372.381 1.595 5 40 FDBB O=[N+]([O-])c1ccc(N2CCC(NS(=O)(=O)c3ccccc3)CC2)nc1 14309746 FIRLLMPCOUWIRG-UHFFFAOYSA-N 362.411 1.937 5 40 FDBB O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(N2CCNC2=O)CC1 40155244 WNFQGORHDPVFBZ-UHFFFAOYSA-N 358.358 1.101 5 40 FDBB COc1cc(C(=O)NCCc2nnc3ccccn23)c([N+](=O)[O-])cc1OC 11545408 GFJDOZQYMXRHEN-UHFFFAOYSA-N 371.353 1.627 5 40 FDBB CCN(C(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 14242848 YGLRJMQMYUFHGD-VXGBXAGGSA-N 356.400 1.398 5 40 FDBB CCS(=O)(=O)CCn1c(C)nc([N+](=O)[O-])c1I 6490890 DAQQNSOGJTTXBA-UHFFFAOYSA-N 373.172 1.139 5 40 FDBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cc(C)on2)CC1=O 7928455 CJOQKEOXUZFFLS-SNVBAGLBSA-N 360.326 1.891 5 40 FDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)C(C)C 103627599 HJJPRONJKBXWGG-PGMHBOJBSA-N 368.393 1.446 5 40 FDBB C[C@H]1CN(c2nc(N3CCC[C@@H](C)C3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 4306259 CTWAXLQFRBYOMA-UTUOFQBUSA-N 350.423 1.817 5 40 FDBB COC(=O)[C@@]1([C@@H](C[N+](=O)[O-])c2ccco2)C(=O)NC[C@H]1c1ccccc1 4311628 VAZFXBUZRINRPN-DEYYWGMASA-N 358.350 1.713 5 40 FDBB Cn1ncc(I)c1C(=O)Nc1ccc([N+](=O)[O-])cn1 6790375 ZBCDGDHZEKNEBB-UHFFFAOYSA-N 373.110 1.580 5 40 FDBB O=C(O)CN1C(=O)N/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 408591730 KDNUYMHDYZRJNV-MDWZMJQESA-N 356.294 1.363 5 40 FDBB Cn1ncc(Cl)c1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1O 5331178 YEZLCWNAWLDJBC-UHFFFAOYSA-N 355.763 1.814 5 40 FDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)CC 11690887 KSPCRCFOJBSPSS-SILNSSARSA-N 354.366 1.200 5 40 FDBB C[C@@H]1CN(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 4219572 TYGAPQIFISWOQR-VXGBXAGGSA-N 368.411 1.866 5 40 FDBB CCOC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 2051834 ODWZBNDXCHVDAO-UHFFFAOYSA-N 351.315 1.918 5 40 FDBB CCN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccccc3OC)n2)CC1 4306393 XVOJQHUWPDGURX-UHFFFAOYSA-N 373.417 1.861 5 40 FDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1C(=O)NC1CC1 11338507 QHUWKYZVBIXYCN-UHFFFAOYSA-N 356.338 1.287 5 40 FDBB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc([N+](=O)[O-])c1 57674864 QVLPFYJOKMDYRR-UHFFFAOYSA-N 358.354 1.584 5 40 FDBB Cc1ccn2nc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)nc2n1 9442930 XYDLMNZQDGKKAH-UHFFFAOYSA-N 371.309 1.564 5 40 FDBB O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO1 4219541 YOAYHUHLFNEGFU-LBPRGKRZSA-N 354.384 1.525 5 40 FDBB Cc1c(NC(=O)CCN2CCN(c3ncccn3)CC2)cccc1[N+](=O)[O-] 26219058 HBNMVBIBPQCNCG-UHFFFAOYSA-N 370.413 1.844 5 40 FDBB CCCn1c(=N)c(C(=O)NCCOC)cc2c(=O)n3cccc(C)c3nc21 100810970 QOVXHFONHDDZMN-UHFFFAOYSA-N 369.425 1.223 5 40 FDBB O=[N+]([O-])c1c(NC[C@@H]([C@H]2CCOC2)N2CCOCC2)nc2sccn12 24204473 ISHDIFLYDNCPFW-RYUDHWBXSA-N 367.431 1.453 5 40 FDBB Cc1c(NC(=O)CCn2cnc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 12779416 ISZWSSLSPPRTOA-UHFFFAOYSA-N 370.369 1.618 5 40 FDBB CCn1c(=O)n(CC)c2cc(NC(=O)Cn3c([N+](=O)[O-])cnc3C)ccc21 8015194 DYBMKDVIJOGXIK-UHFFFAOYSA-N 372.385 1.895 5 40 FDBB CCCn1nnc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 32119169 PAQJNRMOYFMDDG-VOTSOKGWSA-N 361.387 1.518 5 40 FDBB C[C@H]1CN(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 4219570 TYGAPQIFISWOQR-TXEJJXNPSA-N 368.411 1.866 5 40 FDBB O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 100184712 VDMLSIPPOUVVJS-FIQHERPVSA-N 365.139 1.800 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC(N)=O)c1ccccc1 31669116 HYLLZFBJQYGJDM-UHFFFAOYSA-N 363.395 1.974 5 40 FDBB O=c1c2cc3c(=O)n(-c4ccn[nH]4)ccc3nc2ccn1Cc1cccnc1 40399068 WWMQWAZETHQOKR-UHFFFAOYSA-N 370.372 1.867 5 40 FDBB O=C(Nc1nnc(CCN2CCOCC2)s1)c1ccccc1[N+](=O)[O-] 95116118 XNUBXAWZFLUKNH-UHFFFAOYSA-N 363.399 1.573 5 40 FDBB CCCN(CC(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 56057078 AIZKMICJUYTLQM-UHFFFAOYSA-N 350.780 1.822 5 40 FDBB O=C1[C@H]2[C@H](C(=O)N1c1cc(OCC(F)F)cc([N+](=O)[O-])c1)[C@H]1CC[C@H]2O1 103155580 WUVVJOJHDPVBOU-HBJVGIJOSA-N 368.292 1.906 5 40 FDBB COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 34887459 FPTQSUNEXROODM-MNOVXSKESA-N 350.375 1.128 5 40 FDBB NC(=O)COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 223300260 KMFYYCKHEOYUHA-UHFFFAOYSA-N 351.340 1.260 5 40 FDBB O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3187666 HMPNOOCHYKCCQH-CQSZACIVSA-N 359.294 1.929 5 40 FDBB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10326781 AVJAUNLYAKTKHA-UHFFFAOYSA-N 361.285 1.718 5 40 FDBB NC(=O)c1ccc(CN2CCC[C@H]2C(=O)NCC(F)(F)F)c([N+](=O)[O-])c1 54991668 NKUCQOYSHGLIFA-NSHDSACASA-N 374.319 1.337 5 40 FDBB COc1ccc(CNS(=O)(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 12688058 XETVGGUNOOEONA-UHFFFAOYSA-N 368.415 1.536 5 40 FDBB CSc1nnc(C)n1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 33705739 MPDVKIMULAVNGI-UHFFFAOYSA-N 352.401 1.475 5 40 FDBB Cc1cc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1-n1cnnn1 40061569 SFPBAZLPZOGXOB-UHFFFAOYSA-N 353.342 1.590 5 40 FDBB O=[N+]([O-])c1ccc(OCCOCCOCCOCCOCCO)cc1 1774020993 TWJFLAYNIVHGLB-UHFFFAOYSA-N 359.375 1.032 5 40 FDBB COC(=O)c1cc(C(=O)N2CC(=O)Nc3ccccc32)cc([N+](=O)[O-])c1 15912264 KVVABZXYTIFMTM-UHFFFAOYSA-N 355.306 1.980 5 40 FDBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 4941273 SNQHLVGNNWGJML-ZDUSSCGKSA-N 356.400 1.949 5 40 FDBB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1CCOCC1 28227203 MQBIIGAYEJQXCC-UHFFFAOYSA-N 355.350 1.676 5 40 FDBB NC(=O)c1ccccc1NC(=S)NC(=O)COc1ccccc1[N+](=O)[O-] 6392538 NUDGWFFJQVOMCN-UHFFFAOYSA-N 374.378 1.586 5 40 FDBB Cn1cnc([N+](=O)[O-])c1NCCCN1CCN(C(=O)OC(C)(C)C)CC1 69973744 PADHYYJFBNDZQS-UHFFFAOYSA-N 368.438 1.683 5 40 FDBB CCOc1c(C)cnc2c1c(=O)n(Cc1cccc([N+](=O)[O-])c1)c(=O)n2C 15880421 QFUKVRBEARZCRP-UHFFFAOYSA-N 370.365 1.759 5 40 FDBB COC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccncc2)c1=N 100851314 RZBUXWBIEARCEO-UHFFFAOYSA-N 361.361 1.359 5 40 FDBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)NCCN1C(=O)CSC1=O 2625518 GCTOXTKUYKHBEZ-UHFFFAOYSA-N 373.774 1.439 5 40 FDBB CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 6623499 CDPQBQNKRCUUHQ-UHFFFAOYSA-N 356.381 1.799 5 40 FDBB CCN(CC)C(=O)CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 40087847 RPHUQNYBBCPGIG-UHFFFAOYSA-N 362.430 1.611 5 40 FDBB O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc([N+](=O)[O-])cc1 35325297 FDOYPGUBVMTRDR-UONOGXRCSA-N 368.393 1.814 5 40 FDBB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 58026661 CHIZVHWSYQGPJA-LBPRGKRZSA-N 355.416 1.903 5 40 FDBB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCc1ccccc1[N+](=O)[O-] 103395632 QMNJPUFJNLMXEU-KUDNYVPYSA-N 355.350 1.018 5 40 FDBB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 408733753 PUQHQMNCOMMJQR-APYUEPQZSA-N 364.741 1.444 5 40 FDBB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 32932031 QMGQFZUEDNFINB-KGLIPLIRSA-N 367.427 1.773 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 30851719 BHVINTVACYXJRJ-LBPRGKRZSA-N 370.431 1.360 5 40 FDBB CCCCOC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1 59381686 MIZLTCCSCSRYBN-OAHLLOKOSA-N 352.435 1.477 5 40 FDBB Cc1c(C(=O)N(C)[C@@H]2CN3CCC2CC3)nnn1-c1cccc([N+](=O)[O-])c1 521156389 LRIOGVVGNRJZCP-MRXNPFEDSA-N 370.413 1.650 5 40 FDBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C(N)=O)CC1 3346889 GQTQBXLHNRGWOT-VIFPVBQESA-N 354.794 1.773 5 40 FDBB CN(CCO)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1[N+](=O)[O-] 4164309 AVERNXFAFGEOGC-UHFFFAOYSA-N 354.366 1.937 5 40 FDBB Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 4871855 IAOHXIACICUBLZ-UHFFFAOYSA-N 359.294 1.701 5 40 FDBB COCCN([C@H]1CCSC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 55239041 ICQJBFRYCJHFTP-NSHDSACASA-N 364.420 1.877 5 40 FDBB CC(C)CCn1nnnc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19447043 KPOPADRKMVURGQ-UHFFFAOYSA-N 359.434 1.950 5 40 FDBB CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 26819020 GUZZHTRBHDIXNV-LBPRGKRZSA-N 374.440 1.572 5 40 FDBB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 113879079 KPVHRWXYEOCEIU-UHFFFAOYSA-N 366.351 1.883 5 40 FDBB O=C(Cc1ccccc1)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 14674346 AGRQNROHESXFGK-UHFFFAOYSA-N 367.317 1.076 5 40 FDBB NS(=O)(=O)c1ccc(NC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 5693712 RRTOSGUNHAFDKQ-JTQLQIEISA-N 365.367 1.494 5 40 FDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Oc1ccc2c(c1)OCO2 6997661 SMTIHLAMMGMKJO-UHFFFAOYSA-N 370.273 1.525 5 40 FDBB O=C(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])Nc1cccnc1 509632879 HZZSHBGEERXNMN-UHFFFAOYSA-N 354.319 1.046 5 40 FDBB O=C(O[C@@H]1CN2CCC1CC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8993399 QWLPLHFWYYYWKP-QGZVFWFLSA-N 360.414 1.948 5 40 FDBB O=C(Cn1cnc2ccccc2c1=O)NCCNc1ccccc1[N+](=O)[O-] 8145971 RNAJLPARDJBGQX-UHFFFAOYSA-N 367.365 1.533 5 40 FDBB Cc1cc(C)c(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)[nH]1 14115115 OXYPFMLFARAKMC-UHFFFAOYSA-N 359.338 1.601 5 40 FDBB CN1CCN(c2ccc(C(=O)NCCc3ccccn3)cc2[N+](=O)[O-])CC1 8723496 RASRRRPDAHIBSJ-UHFFFAOYSA-N 369.425 1.714 5 40 FDBB CCOC(=O)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 79105417 WMEUGBDVGJUNSW-UHFFFAOYSA-N 358.357 1.424 5 40 FDBB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 298952244 FSSSKDICWUWGTR-GFCCVEGCSA-N 355.416 1.903 5 40 FDBB CN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C(C)(C)C1=O 96012978 DBJWMHJDRNATNE-UHFFFAOYSA-N 352.366 1.615 5 40 FDBB Cc1cc(Nc2nc3nonc3n3cnnc23)c([N+](=O)[O-])c([N+](=O)[O-])c1C 16267657 FZULQKBZISOWDC-UHFFFAOYSA-N 371.273 1.837 5 40 FDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)c1C 9689852 AGSDJLTVOIPHPA-ZDUSSCGKSA-N 355.416 1.453 5 40 FDBB CSCC[C@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O 226862586 FANUNPFBZNDQAU-VIFPVBQESA-N 352.365 1.219 5 40 FDBB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccccc1[N+](=O)[O-] 28924289 XSTYNGHMEKDFRY-KRWDZBQOSA-N 354.366 1.932 5 40 FDBB O=C(NCCCO)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 4891549 QGXPOXVQQQJMAT-KAMYIIQDSA-N 359.338 1.457 5 40 FDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccc(C(=O)O)c1 5944359 MJGPVRLGOMXDCT-UHFFFAOYSA-N 369.289 1.528 5 40 FDBB O=C1C[C@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccccc1[N+](=O)[O-] 104278612 GIUUONQTNPJMMO-AWEZNQCLSA-N 361.354 1.066 5 40 FDBB CCc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1[N+](=O)[O-] 105631590 HNLXMLPEIFJXDH-IPPJXQLGSA-N 370.386 1.992 5 40 FDBB CC(=O)Oc1ccc(C(=O)NN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 4591348 OKQWACZKUDKTDB-UHFFFAOYSA-N 369.289 1.461 5 40 FDBB CN(C)CCCNS(=O)(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6831552 CIXZLUOCPSVAIF-UHFFFAOYSA-N 370.475 1.815 5 40 FDBB C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2=O 9450155 URXKKUMJFNOSMK-BTDLBPIBSA-N 360.370 1.694 5 40 FDBB COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Cl)c1OC 6441183 XJTNAOAMJGLPFX-ONEGZZNKSA-N 353.718 1.812 5 40 FDBB CS(=O)(=O)N1CCC[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 216672501 JOIHJFGHTNCBEU-NSHDSACASA-N 352.372 1.784 5 40 FDBB CN1CCC(N(C)C(=O)CCNC(=O)Nc2ccccc2[N+](=O)[O-])CC1 32927893 GQLFODSWTUCFQO-UHFFFAOYSA-N 363.418 1.659 5 40 FDBB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)N2N1 10152996 DAXNTONVYPGUFA-GFCCVEGCSA-N 358.358 1.158 5 40 FDBB O=C(NC[C@@H]1COc2ccccc2O1)c1cc2c(cc1[N+](=O)[O-])OCCO2 57584946 KZMWGEOZSGWOJK-LLVKDONJSA-N 372.333 1.936 5 40 FDBB C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NC1CCCC1 23291597 SMSFCTRXCLHQRN-VIFPVBQESA-N 350.327 1.928 5 40 FDBB CCNc1ccc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)cc1[N+](=O)[O-] 6318936 DMZMFNWZZXLHID-GFCCVEGCSA-N 352.347 1.403 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C3OCCO3)C=C[C@H]2O1 409286341 PTLFTSKVWDDFET-UHQDVWGKSA-N 372.333 1.089 5 40 FDBB O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)c1 20754115 FEUSYUVTLLQRHC-LBPRGKRZSA-N 350.352 1.713 5 40 FDBB CCOC(=O)C(Cc1ccccc1[N+](=O)[O-])(NC(C)=O)C(=O)OCC 1695865 YITKHGMBUGYMPM-UHFFFAOYSA-N 352.343 1.138 5 40 FDBB O=C(N[C@@]1(C(F)(F)F)N=C2SCCN2C1=O)c1cccc([N+](=O)[O-])c1 1874512 INHJPMKFBZHRAK-GFCCVEGCSA-N 374.300 1.528 5 40 FDBB NS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2C(=O)O)cc1 408712459 KMWSQYANDCJAMU-UHFFFAOYSA-N 351.340 1.553 5 40 FDBB CCN(C(=O)[C@@H](C)Oc1ccc(C)nc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 7166251 ANFFCCKGZSMHFB-VXGBXAGGSA-N 371.415 1.101 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 223299436 AGHKYVDCURGCAO-UHFFFAOYSA-N 365.367 1.568 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc2c(c1)OCCO2 16085913 LYPFPOIIIOOOFY-UHFFFAOYSA-N 350.352 1.845 5 40 FDBB CCc1ccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1[N+](=O)[O-] 26544247 RLEQYNQISOIQDQ-UHFFFAOYSA-N 352.372 1.395 5 40 FDBB Cc1nn(C)c(C(=O)Nn2c(S)nc3ccccc3c2=O)c1[N+](=O)[O-] 102004394 YILWNRMVIZJDEX-UHFFFAOYSA-N 360.355 1.019 5 40 FDBB COc1ccccc1OCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 223985113 IDRUWGPDNNSKDT-UHFFFAOYSA-N 352.368 1.961 5 40 FDBB Cn1cnnc1Sc1ccc(C(=O)O[C@H]2CCOC2=O)cc1[N+](=O)[O-] 9254824 MWVZMXGYFDIXLM-JTQLQIEISA-N 364.339 1.347 5 40 FDBB CC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 4307563 YGEIJCJOVGUAIT-SFHVURJKSA-N 374.397 1.620 5 40 FDBB CNS(=O)(=O)c1ccc(N(C)CCc2ccccn2)c([N+](=O)[O-])c1 8148685 CFGIDBFPCIFLOE-UHFFFAOYSA-N 350.400 1.577 5 40 FDBB Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 408606503 KNNBSKTXPCVNIS-UHFFFAOYSA-N 362.367 1.586 5 40 FDBB COC(=O)C[C@@H]1CCCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 89400658 ZBJDDNKPLSRIFQ-NSHDSACASA-N 356.400 1.920 5 40 FDBB CCOC(=O)N[C@@H](c1ccccc1[N+](=O)[O-])[P@](=O)(O)Nc1ncn[nH]1 1590129 WVTCSZQSDHYCSK-SNVBAGLBSA-N 370.262 1.755 5 40 FDBB CN1CCC(N(C)CCN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 40151496 ZPYKEWMVXRNFJT-UHFFFAOYSA-N 370.475 1.241 5 40 FDBB CN(C)CCN[C@@H](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O 22997067 PBGSRYLEPTXKOZ-NSHDSACASA-N 358.782 1.181 5 40 FDBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20448868 PNOKNVVTHTWWNR-UHFFFAOYSA-N 359.338 1.875 5 40 FDBB Cc1cccn2c(=O)c3cc(C(N)=O)c(=N)n(CCCOC(C)C)c3nc12 100752089 GPQLXUHUGDJZGT-UHFFFAOYSA-N 369.425 1.351 5 40 FDBB biogenic COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1nnc(NC(C)=O)s1 224397829 SLWOENNDTUHHDM-UHFFFAOYSA-N 373.372 1.214 5 40 FDBB C[C@@H](NC(=O)c1ccc([C@@H](C[N+](=O)[O-])SCCC(=O)O)cc1)C(=O)O 1609242 BCOPSWRKZURYOI-BXKDBHETSA-N 370.383 1.415 5 40 FDBB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc1[N+](=O)[O-] 408654241 KGDMLCVLRBVOAU-MIXZUZKTSA-N 374.349 1.583 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(=O)cnc2ccccc21 7719434 XTGYGVAFDSKTPD-UHFFFAOYSA-N 354.322 1.952 5 40 FDBB NC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12562614 KEEQLYGPKFVFEX-UHFFFAOYSA-N 370.365 1.783 5 40 FDBB COCCN(CCOC)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 3337955 PYOPBJRYVSPXMM-UHFFFAOYSA-N 374.777 1.526 5 40 FDBB C[C@H]1CN(c2nc(N3CCCCCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 4306251 PDAGPHRLABBZTF-RYUDHWBXSA-N 350.423 1.961 5 40 FDBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)ccc1O 21363681 REHMPFHUQXYCRJ-UHFFFAOYSA-N 362.327 1.077 5 40 FDBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)OC(=O)c1nccnc1N 32738679 XPPMPVRURZBWLT-MRVPVSSYSA-N 361.314 1.160 5 40 FDBB O=C(Cc1cccnc1)N1CCC(O)(CNc2ccccc2[N+](=O)[O-])CC1 1775991796 MYKFXPXBAWULQQ-UHFFFAOYSA-N 370.409 1.998 5 40 FDBB O=C(CN1CCC[C@H]1C(=O)NCC(F)(F)F)Nc1ccccc1[N+](=O)[O-] 54991260 VPKSHWUXIQEERF-LBPRGKRZSA-N 374.319 1.676 5 40 FDBB CC[C@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 108013967 BFURJNXTEJSUOZ-JTQLQIEISA-N 359.404 1.284 5 40 FDBB O=C(CN1CCSC1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 16601005 SSHJUSRPJXBZBU-UHFFFAOYSA-N 350.400 1.412 5 40 FDBB COC(=O)CNC(=O)c1ccc(NC[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 72301745 FRDCIAZUFNVUDN-FZMZJTMJSA-N 351.359 1.071 5 40 FDBB Nc1nc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)nc2ccccc12 14323039 SLVRDBPHFVBLLO-UHFFFAOYSA-N 365.397 1.837 5 40 FDBB O=C(NCCNc1cnccn1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 48253009 HDKQTIKAFYQHQE-UHFFFAOYSA-N 353.342 1.412 5 40 FDBB COc1cc(NC(=O)CN2CCN(C(C)=O)CC2)c(C)cc1[N+](=O)[O-] 35349163 HOTOMRDSGUWTGE-UHFFFAOYSA-N 350.375 1.014 5 40 FDBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)NCc2ccco2)CC1=O 7928435 VMGLIDHBPRZBEI-LLVKDONJSA-N 359.338 1.866 5 40 FDBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(C)C2=O 8971140 WREGGTFMZQUSLS-DYVFJYSZSA-N 360.370 1.450 5 40 FDBB O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 409051979 FPIOSDNUWFSTFA-INIZCTEOSA-N 361.398 1.742 5 40 FDBB O=C(NCCCN1CCCC1=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 2777563 UFBIFSAZWLCFSL-UHFFFAOYSA-N 361.358 1.175 5 40 FDBB CS(=O)(=O)n1nc(-c2ccco2)nc1NCc1cccc([N+](=O)[O-])c1 13844117 XYGCESPSTAUPME-UHFFFAOYSA-N 363.355 1.866 5 40 FDBB CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(O)n[nH]c2C[C@@]1(C)O 4754949 UDVQDRNFAAQHTD-RVSPLBMKSA-N 361.354 1.642 5 40 FDBB CC(=O)S[C@@H]1C[C@H](CO)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 145890356 ISMJAKHUEXVPIA-ZIAGYGMSSA-N 354.384 1.946 5 40 FDBB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccccc1[N+](=O)[O-] 28924290 XSTYNGHMEKDFRY-QGZVFWFLSA-N 354.366 1.932 5 40 FDBB O=C1c2ccccc2C(=O)N1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1599673 FCSKQODEAAQVNA-UHFFFAOYSA-N 365.301 1.487 5 40 FDBB CC(=O)N1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 35540008 IEPUVAZEAGIBQY-SNVBAGLBSA-N 354.794 1.739 5 40 FDBB CCN1CCN(c2nc(N3C[C@H](C)C[C@@H](C)C3)nc(N)c2[N+](=O)[O-])CC1 5048594 PYDKFBAWCRJPAD-CHWSQXEVSA-N 363.466 1.591 5 40 FDBB O=C(Nc1nnc(CCN2CCOCC2)s1)c1cccc([N+](=O)[O-])c1 95116119 MIAHIERABVOYMT-UHFFFAOYSA-N 363.399 1.573 5 40 FDBB O=[N+]([O-])c1ccc(CN(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 246567029 XCEVYIGIRPGYRB-HOTGVXAUSA-N 354.428 1.763 5 40 FDBB CC(=O)Nc1cc(NC(C)=O)c(NC(C)=O)c([N+](=O)[O-])c1NC(C)=O 6073738 SZUKXIMUMGMLTI-UHFFFAOYSA-N 351.319 1.428 5 40 FDBB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100519327 SNVLJRBUBUBHBJ-RLUOWVSXSA-N 370.321 1.883 5 40 FDBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NCCc1ccc(F)cc1 2661255 XYXKLQLYRNCTPW-UHFFFAOYSA-N 370.340 1.803 5 40 FDBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1 58265514 OQAYBZNTNNFCSW-JTQLQIEISA-N 367.349 1.757 5 40 FDBB Cc1ccc(C(=O)NCCCNC(=O)COc2ccccc2[N+](=O)[O-])cn1 9191298 UJVRRGOAZGYUPP-UHFFFAOYSA-N 372.381 1.613 5 40 FDBB Cc1cc(O)nc(SCC(=O)Nc2cc(C(=O)O)cc([N+](=O)[O-])c2)n1 13644291 RGEADOPQGSTIRR-UHFFFAOYSA-N 364.339 1.828 5 40 FDBB N=C1NC(=O)[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)S1 4548922 XYENDOSNFBIOTM-MRVPVSSYSA-N 373.188 1.852 5 40 FDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc2c(c1)OCO2 879165 HLJWAJFHTUSKFZ-UHFFFAOYSA-N 366.351 1.811 5 40 FDBB Cn1cc(S(=O)(=O)Nc2ccccc2N2CCOC2=O)c([N+](=O)[O-])n1 89749831 YXBIYOIKRBRPAG-UHFFFAOYSA-N 367.343 1.086 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(-c2nc[nH]n2)c1 72289862 GKROTZJXFUEQHO-UHFFFAOYSA-N 359.367 1.858 5 40 FDBB Cc1ccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc1[N+](=O)[O-] 21596166 YLSJOUTXFSLWMB-UHFFFAOYSA-N 363.403 1.673 5 40 FDBB COc1ccc(OC[C@H](O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 15240652 DDYFFDVKEGOJOV-LLVKDONJSA-N 372.333 1.639 5 40 FDBB Cc1ccc(O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 7821635 BQWSZDPNFZYHSS-NWDGAFQWSA-N 356.400 1.316 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 5939719 DGJRUCXXIVADML-UHFFFAOYSA-N 351.370 1.897 5 40 FDBB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1[N+](=O)[O-] 72309795 YUXWRFVBGOTWMF-AWEZNQCLSA-N 362.386 1.758 5 40 FDBB O=C(C1=NO[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12)c1cccs1 100354860 RZBLTGSUNCBWIN-FZMZJTMJSA-N 371.330 1.783 5 40 FDBB O=C1c2ccccc2S(=O)(=O)N1S(=O)(=O)c1cccc([N+](=O)[O-])c1 16524404 DOJZRGVNHBVJEQ-UHFFFAOYSA-N 368.348 1.128 5 40 FDBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)CCN=4)o2)c([N+](=O)[O-])c1 5553038 FTRZQDLGLWXRAY-OQLLNIDSSA-N 355.375 1.848 5 40 FDBB O=C(CCC(=O)Nc1cccc([N+](=O)[O-])c1)NCCCN1CCOCC1 20149681 GFDWYYJRGNETGZ-UHFFFAOYSA-N 364.402 1.152 5 40 FDBB Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccccc2[N+](=O)[O-])cc1 6480028 UOMPTRXXUFSXNV-UHFFFAOYSA-N 364.379 1.925 5 40 FDBB COC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1 41154564 XNESHNLUUHACQZ-AWEZNQCLSA-N 365.386 1.419 5 40 FDBB COc1ccccc1NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 2622679 MVEKCYSSBACMKS-UHFFFAOYSA-N 354.322 1.952 5 40 FDBB CC(C)C(=O)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 57606294 ZOWFOIFYQRIHHU-UHFFFAOYSA-N 363.370 1.306 5 40 FDBB COc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] 12931608 LKWYKSRAXFGNPP-UHFFFAOYSA-N 355.416 1.509 5 40 FDBB C[C@H]1C[C@@H](C)CN(c2nc(NCCCN(C)C)nc(N)c2[N+](=O)[O-])C1 5163717 OHSCHFBZEVNXCV-TXEJJXNPSA-N 351.455 1.813 5 40 FDBB C[N@@+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 584578364 QVVOZYKELHAIPX-IPRPDCQNSA-N 358.458 1.843 5 40 FDBB COc1nn(Cc2nc3c4c5c(sc4ncn3n2)CCC5)cc1[N+](=O)[O-] 2788781 LBMQHBYXIKYFPI-UHFFFAOYSA-N 371.382 1.989 5 40 FDBB CS(=O)(=O)c1ccc(N2CCN(c3cnccn3)CC2)c([N+](=O)[O-])c1 10645999 BTTKTBCORRFZKB-UHFFFAOYSA-N 363.399 1.115 5 40 FDBB Cc1c(-c2nn3c(CN4CCOCC4)nnc3s2)cccc1[N+](=O)[O-] 71260507 SLRBFHBMVOHMJF-UHFFFAOYSA-N 360.399 1.902 5 40 FDBB CCOC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1C 8570153 FYOXWPCJGDCDAN-GFCCVEGCSA-N 361.354 1.815 5 40 FDBB O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CCS(=O)(=O)C1 96013017 QWUZXVDZFWTJTQ-QMMMGPOBSA-N 367.305 1.922 5 40 FDBB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)s1 224993706 OSKCFUDDUDKVHU-UHFFFAOYSA-N 371.400 1.904 5 40 FDBB COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1c(=O)cnc2ccccc21 7987512 VFFWQWFVTHNLKS-UHFFFAOYSA-N 354.322 1.952 5 40 FDBB CNC(=O)c1cc(N2CCC(C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] 58210736 YLNMACGWJKHJMT-UHFFFAOYSA-N 360.414 1.793 5 40 FDBB O=C(NCCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccco1 26863926 FNBHMMLKJISUTB-UHFFFAOYSA-N 372.381 1.376 5 40 FDBB C[C@H]1CN(c2nc(NC[C@@H]3CCCO3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 13777748 RCPULQZWOYPBDL-AXFHLTTASA-N 352.395 1.172 5 40 FDBB CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H]1C(C)C 4537707 NFTJONSCKYFMHR-OAHLLOKOSA-N 355.416 1.738 5 40 FDBB COC(=O)CNC(=O)c1ccc(NC[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 72301748 FRDCIAZUFNVUDN-BXUZGUMPSA-N 351.359 1.071 5 40 FDBB COc1cccc(C(=O)N2CCCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)c1 57142314 MVGSWVLBDRDFKE-UHFFFAOYSA-N 373.413 1.998 5 40 FDBB CC(C)(S[C@@H]1CC(=O)N(c2ccccc2[N+](=O)[O-])C1=O)[C@@H](N)C(=O)O 19594192 SCDPTTDPWGMGSY-PWSUYJOCSA-N 367.383 1.150 5 40 FDBB O=[N+]([O-])c1cccc(OP(=O)(N2CCOCC2)N2CCOCC2)c1 658460 NKXKKLWLVCYPOZ-UHFFFAOYSA-N 357.303 1.746 5 40 FDBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc2c(c1)OCO2 408570129 ZTHYETIBLAHIDE-JSECANHTSA-N 367.361 1.984 5 40 FDBB CS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96519716 AONGJHJJDSRGLD-DTWKUNHWSA-N 358.597 1.960 5 40 FDBB C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C[C@H](C)O1 5587179 IMCMOWCMMYDOHF-STQMWFEESA-N 369.443 1.993 5 40 FDBB NS(=O)(=O)c1ccc(NC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 5693715 RRTOSGUNHAFDKQ-SNVBAGLBSA-N 365.367 1.494 5 40 FDBB Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(NCC(C)([N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-] 408718344 LMTAKOLMKVPTLA-UHFFFAOYSA-N 374.222 1.401 5 40 FDBB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12 408975805 NUQDFFBFRIQUAQ-APYUEPQZSA-N 364.741 1.444 5 40 FDBB CC(C)[C@H](C)NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260903647 PSKFSYOAZDNWIP-RYUDHWBXSA-N 357.432 1.910 5 40 FDBB CCOC(=O)CN(CC(C)C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 58166504 OVXOWEHBECVOES-UHFFFAOYSA-N 362.379 1.944 5 40 FDBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCN(c2ccccn2)CC1 31674400 DNYWQHABUMUGLK-UHFFFAOYSA-N 372.381 1.726 5 40 FDBB CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 8149439 CSZFXNSRPFQKCX-GFCCVEGCSA-N 357.432 1.586 5 40 FDBB CCN(CC)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 8783099 VAKWUKQLAKPEMU-UHFFFAOYSA-N 359.404 1.238 5 40 FDBB O=C(O)CNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 4844135 DNNDEXPKQITMCB-XYOKQWHBSA-N 359.294 1.160 5 40 FDBB CCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 7688404 VEIIBLNNAMHANX-VIFPVBQESA-N 363.823 1.750 5 40 FDBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCN(C(=O)C3CC3)CC2)c1C 19535275 HSVGOIDAHZWLBN-UHFFFAOYSA-N 360.414 1.704 5 40 FDBB O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)NCc1ccco1 5400885 GZSUSPDDZQZRCX-UHFFFAOYSA-N 354.322 1.728 5 40 FDBB COc1ccc(OC)c2c1CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]2O 21674310 LERFHNFWFRKPTC-CQSZACIVSA-N 373.365 1.765 5 40 FDBB CN1C(=O)C(=O)N(CN(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)C1=O 54497107 IFUUCFUHMSKAHT-UHFFFAOYSA-N 374.275 1.337 5 40 FDBB C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(C)C3=O)[C@@H]2C1 15319738 ZXGOGWPONWULQX-RHXQLXPWSA-N 372.381 1.450 5 40 FDBB CS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccc([N+](=O)[O-])cc1 96519713 AONGJHJJDSRGLD-RKDXNWHRSA-N 358.597 1.960 5 40 FDBB CCc1cc(=O)nc(-n2nc(C)cc2NC(=O)c2ccccc2[N+](=O)[O-])[nH]1 7419578 OCPIQSVYQSEZDS-UHFFFAOYSA-N 368.353 1.987 5 40 FDBB COc1ccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 3066108 BIOWFVDYUFIBTG-UHFFFAOYSA-N 352.368 1.961 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN(CN3CCOC3=S)CC2)c2ccncc12 12550451 PJUSDSAAEUFBJN-UHFFFAOYSA-N 373.438 1.840 5 40 FDBB CCn1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C)c([N+](=O)[O-])n1 534497892 MCEJKSQZBGCCEX-UHFFFAOYSA-N 367.387 1.314 5 40 FDBB CC(C)(C)n1ncc2c(=O)n(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cnc21 10250911 NZUOXZJJCZYKAA-UHFFFAOYSA-N 370.369 1.569 5 40 FDBB COc1ccc(NC(=O)NCCN2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 26225215 FHFGNDVLBKHTGE-TXEJJXNPSA-N 352.391 1.834 5 40 FDBB O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)NCc1cccs1 24882179 BEXJMRFBWMNOJE-UHFFFAOYSA-N 364.335 1.858 5 40 FDBB CNC(=O)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 9653572 LJYATBRWYWDOPF-MRXNPFEDSA-N 371.349 1.514 5 40 FDBB COc1ccccc1CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 3268877 LGPXMAVQIKIAIJ-UHFFFAOYSA-N 369.333 1.516 5 40 FDBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(C)C2=O 8971145 WREGGTFMZQUSLS-SUMWQHHRSA-N 360.370 1.450 5 40 FDBB CCOC(=O)[C@@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2OC)C1 45958677 GVFRSHJJTRIGHF-LLVKDONJSA-N 351.359 1.427 5 40 FDBB O=[N+]([O-])c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)N2CCCC2)c1 8745237 LCPCKUVCFDEWTK-CYBMUJFWSA-N 355.416 1.970 5 40 FDBB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 245380183 SNVLJRBUBUBHBJ-AJABAVSMSA-N 370.321 1.883 5 40 FDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCN(Cc2ccccc2)C1 12981342 WFYMTHJNXFAPLC-OAHLLOKOSA-N 356.382 1.147 5 40 FDBB CCN(CC(=O)N1CCC2(CC1)OCCO2)Cc1cccc([N+](=O)[O-])c1 84777534 YYYLEARXNZSMJB-UHFFFAOYSA-N 363.414 1.782 5 40 FDBB CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCS(=O)(=O)C1 69918705 CRLLRLCKGBHRNF-CYBMUJFWSA-N 356.400 1.470 5 40 FDBB O=C(NCCCn1ccnc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 20650922 VDAKKXUPZYJYNS-AWEZNQCLSA-N 358.402 1.609 5 40 FDBB COCCOC(=O)C1=C(C)Nc2nc(C)nn2[C@@H]1c1cccc([N+](=O)[O-])c1 4814199 QCHKLVIUCAPXME-OAHLLOKOSA-N 373.369 1.973 5 40 FDBB O=C(N1CCc2cc([N+](=O)[O-])c(N3CCOCC3)cc2C1)C(F)(F)F 96321458 AJDHAMHYCWCNTQ-UHFFFAOYSA-N 359.304 1.878 5 40 FDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)c3cccc([N+](=O)[O-])c3)cc21 408529276 HJMJCGILFQEYQB-UHFFFAOYSA-N 371.309 1.946 5 40 FDBB O=C(C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1ccco1 100355156 NONCNMRPGNJYJQ-BXUZGUMPSA-N 355.262 1.315 5 40 FDBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCc1ccccc1 58081846 BJUFPNKLSLQCFJ-UHFFFAOYSA-N 355.350 1.679 5 40 FDBB CCCS(=O)(=O)NC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 48290702 XCMSTCCEGUJYGZ-UHFFFAOYSA-N 370.431 1.921 5 40 FDBB CS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1cccc([N+](=O)[O-])c1 96519731 KRWJOFCCKIRXJD-RKDXNWHRSA-N 358.597 1.960 5 40 FDBB COc1cccc(CNC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 6121774 XABSFPHUBFWODO-UHFFFAOYSA-N 359.338 1.659 5 40 FDBB CC(C)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1 12753088 PBWYVZJVBOLLSJ-AWEZNQCLSA-N 357.432 1.230 5 40 FDBB O=[N+]([O-])c1ccc(CN(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575419910 ALWVNLKXLYKEOR-SJORKVTESA-N 362.407 1.759 5 40 FDBB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 25059778 SIKVPJSRRJHGNN-CZUORRHYSA-N 364.402 1.454 5 40 FDBB O=[N+]([O-])c1c(NC[C@@H]([C@H]2CCOC2)N2CCOCC2)nc2ccccn12 25062514 NOTKQEZVPQYQNB-KBPBESRZSA-N 361.402 1.392 5 40 FDBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C)O2)cc1[N+](=O)[O-] 409046294 JXGRTCDYWQPXMR-UMPJEAMMSA-N 358.306 1.353 5 40 FDBB COC(=O)c1cc(C(=O)N2CCCC[C@H]2C(=O)OC)cc([N+](=O)[O-])c1 40050015 WELMWHGGSQHVEC-ZDUSSCGKSA-N 350.327 1.549 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1COC2(CCCCC2)O1 7595549 ZOYFWYAAOOWRGP-LBPRGKRZSA-N 356.400 1.949 5 40 FDBB CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(O)n[nH]c2C[C@]1(C)O 1314062 UDVQDRNFAAQHTD-IFIJOSMWSA-N 361.354 1.642 5 40 FDBB C[C@@H](NC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1)[C@H]1C[C@H]2CC[C@H]1C2 103026740 SEBGYLOGMMSARR-NOOOWODRSA-N 360.374 1.777 5 40 FDBB Nc1nonc1-c1noc(-c2cc([N+](=O)[O-])nn2Cc2ccccc2)n1 3672557 STYSXWFVJCZPTB-UHFFFAOYSA-N 354.286 1.522 5 40 FDBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 8646689 WFEVITFBKAHDQS-QGZVFWFLSA-N 360.370 1.421 5 40 FDBB COC(=O)c1cc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nn1C 408561787 LHQGCEHTORAEGQ-UHFFFAOYSA-N 350.243 1.242 5 40 FDBB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 48340926 YKHRUNVFDKQGMF-GFCCVEGCSA-N 373.369 1.050 5 40 FDBB Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 408552309 LRLXSBJIBBXROJ-UHFFFAOYSA-N 356.338 1.597 5 40 FDBB CN(C)S(=O)(=O)c1ccc(C(=O)NCC[N+]2(C)CCCCCC2)o1 910019 BPVQXVFBVWADRC-UHFFFAOYSA-O 358.484 1.280 5 40 FDBB CN(C)C(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 8506560 ZGCZTWMMCVARIT-UHFFFAOYSA-N 361.310 1.685 5 40 FDBB Cc1nn(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c(C)c1[N+](=O)[O-] 15647589 VJAMMKPEJVISLD-UHFFFAOYSA-N 367.312 1.441 5 40 FDBB C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 48306437 YEMRSNPHTJVILO-CZUORRHYSA-N 360.414 1.406 5 40 FDBB O=[N+]([O-])c1ccc(CN(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575419909 ALWVNLKXLYKEOR-IRXDYDNUSA-N 362.407 1.759 5 40 FDBB O=C1[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 222255401 UXJGOYNFVIBXTM-ASHKBJFXSA-N 350.714 1.054 5 40 FDBB NC(=O)c1ccc(NC(=O)c2n[nH]c([N+](=O)[O-])c2Br)cc1 5642341 WDXUZTPOKJXVCM-UHFFFAOYSA-N 354.120 1.432 5 40 FDBB C[C@@H](C(=O)/N=c1/sccn1C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 102777188 YLEBYRYOWRYFOR-BNCXAUQFSA-N 360.351 1.107 5 40 FDBB COC(=O)c1cc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(C)n1 408553857 PXKNWGAYIULWFW-UHFFFAOYSA-N 350.243 1.242 5 40 FDBB O=C1c2ccccc2C(=O)N1CCn1cnc2cc([N+](=O)[O-])ccc2c1=O 6083043 JGPNFNPCMYVBLX-UHFFFAOYSA-N 364.317 1.601 5 40 FDBB O=[N+]([O-])c1ccc(CN(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575419908 ALWVNLKXLYKEOR-IAGOWNOFSA-N 362.407 1.759 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(C)(=O)=O)CC1 13789358 BDEDOWPZWWOXIW-UHFFFAOYSA-N 357.388 1.214 5 40 FDBB CCN(CC)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4889807 IHBZWIRZEQLYLF-UHFFFAOYSA-N 365.386 1.457 5 40 FDBB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 6228650 UOAFACFTMDHLGZ-AWEZNQCLSA-N 350.352 1.569 5 40 FDBB COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC 12949712 IPYODELJUMOZFJ-RYUDHWBXSA-N 368.386 1.878 5 40 FDBB COCCOC(=O)C1=C(C)Nc2nc(C)nn2[C@H]1c1cccc([N+](=O)[O-])c1 4814200 QCHKLVIUCAPXME-HNNXBMFYSA-N 373.369 1.973 5 40 FDBB O=C(CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCCCCC1 28324723 ISRWYVZQQADULJ-UHFFFAOYSA-N 374.441 1.755 5 40 FDBB O=C(CCNc1ccccc1[N+](=O)[O-])NCC1CCS(=O)(=O)CC1 89814359 QSKLKMRLJDPXLY-UHFFFAOYSA-N 355.416 1.338 5 40 FDBB Cc1nn(CS(=O)(=O)CC(=O)NCc2ccccc2)c(C)c1[N+](=O)[O-] 17075215 ZWMASQVEQGOZAM-UHFFFAOYSA-N 366.399 1.097 5 40 FDBB Cc1ccc(-n2c(=O)c3ccc4c(=O)[nH]c(=O)c5ccc(c2=O)c3c45)cc1 4095296 NBRDAAKBSWNKRO-UHFFFAOYSA-N 356.337 1.890 5 40 FDBB C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 9352395 FMXXLRPXPSKOTO-NSHDSACASA-N 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O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@H]1C=C[C@H]2O1 247433300 VDMLSIPPOUVVJS-DDHJBXDOSA-N 365.139 1.800 5 40 FDBB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3ccc([N+](=O)[O-])cc3)cnc21 10250824 UGVLTQAKHUXWGO-UHFFFAOYSA-N 356.342 1.640 5 40 FDBB O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 101103895 CXWYULPZGNRRIJ-WYUUTHIRSA-N 365.139 1.800 5 40 FDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N1CCC[C@@H](O)C1 8149444 SIXZXMIZRXGJJR-GFCCVEGCSA-N 355.416 1.340 5 40 FDBB Cc1nn(C)c(N2CCN(CC(=O)NCc3ccccc3)CC2)c1[N+](=O)[O-] 47331129 YZNHOQQGGCASHE-UHFFFAOYSA-N 372.429 1.075 5 40 FDBB C[C@H](OC(=O)c1nccnc1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16669464 KAHIGPFNOCYOHF-QMMMGPOBSA-N 356.298 1.935 5 40 FDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1ccccc1 8732110 GYNQQAVBCHPLPT-UHFFFAOYSA-N 366.351 1.883 5 40 FDBB COc1cc(C(=O)OCC(=O)NCc2ccco2)c([N+](=O)[O-])cc1OC 3412581 BUIINIDPWRMEGA-UHFFFAOYSA-N 364.310 1.678 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 17282890 WSAJIIYWSHHOIZ-LBPRGKRZSA-N 359.835 1.557 5 40 FDBB O=C([C@H]1CCCO1)N1CCN(C(=S)Nc2cccc([N+](=O)[O-])c2)CC1 6633276 WBMZVVDHPKOGDK-CQSZACIVSA-N 364.427 1.615 5 40 FDBB COc1cccc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1 6943184 MZEHHLSRTVHFJF-UHFFFAOYSA-N 354.322 1.952 5 40 FDBB Cn1cnnc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 9119609 OLAHBXGFMBWDQQ-UHFFFAOYSA-N 369.428 1.659 5 40 FDBB CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)NN=C2C[C@@]1(C)O 100642339 KONHVAPSKTWBQT-AYMQEEERSA-N 361.354 1.114 5 40 FDBB CC(C)CNC(=O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 40105727 WKLJJASULVKVOV-UHFFFAOYSA-N 364.446 1.363 5 40 FDBB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 104475950 URGBYVKWILQSGE-KUDNYVPYSA-N 355.350 1.649 5 40 FDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc2c(c1)OCCO2 2620644 OPRPXLQYOAOUJC-UHFFFAOYSA-N 368.301 1.845 5 40 FDBB CSCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C(=O)O 3166797 MQKVVMXFBDYRID-JTQLQIEISA-N 362.791 1.950 5 40 FDBB CCN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)CC1 4306340 VNMUNGUAPAAIKO-UHFFFAOYSA-N 361.381 1.992 5 40 FDBB CC(C)NS(=O)(=O)c1ccc(N2C[C@H]3COC[C@@H](C3)C2)c([N+](=O)[O-])c1 101419081 XCLYSFVLOGEJAJ-STQMWFEESA-N 369.443 1.754 5 40 FDBB CN(C)C(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 25657463 VDHVXDPSWCCUHO-UHFFFAOYSA-N 360.326 1.002 5 40 FDBB NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 8515702 LOFRZMBPBDJWJG-UHFFFAOYSA-N 358.310 1.881 5 40 FDBB COc1ccc(S(=O)(=O)NC[C@@H](C)C(=O)OC(C)C)c([N+](=O)[O-])c1 72307406 FRARPKJSCHCZHX-SNVBAGLBSA-N 360.388 1.469 5 40 FDBB C[C@@H](OC(=O)CN1CCCCCC1=O)C(=O)Nc1ccccc1[N+](=O)[O-] 5539937 DJDCUFVMOYGWTQ-GFCCVEGCSA-N 363.370 1.868 5 40 FDBB O=C(Cn1nc([N+](=O)[O-])nc1Br)Nc1cccc([N+](=O)[O-])c1 2190555 SNCBMDYFEIMYHZ-UHFFFAOYSA-N 371.107 1.496 5 40 FDBB O=[N+]([O-])c1cc(Cl)ccc1N1CCN(CN2CCOC2=S)CC1 24766154 CXWVYEFTXKSQNA-UHFFFAOYSA-N 356.835 1.945 5 40 FDBB O=[N+]([O-])c1ccccc1OCCSc1nnnn1C[C@@H]1CCCO1 48345896 CBXTUOHFXMQVPR-NSHDSACASA-N 351.388 1.931 5 40 FDBB Cc1ccc(OC[C@@H](O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 7205181 HKOOQWOCCVTOAR-LBPRGKRZSA-N 356.334 1.939 5 40 FDBB CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O 9087188 AFJFSADHJJZPFO-KDOFPFPSSA-N 372.381 1.595 5 40 FDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Cl)cn1 32517497 QIYWBUYZMPDMGX-UHFFFAOYSA-N 360.713 1.878 5 40 FDBB CCN(CC)S(=O)(=O)c1ccc(O[C@H]2CCOC2=O)c([N+](=O)[O-])c1 5193037 IATYQHCBPVVEOC-ZDUSSCGKSA-N 358.372 1.320 5 40 FDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1cccnc1-n1cccn1 40105649 KPCNTFNUQCSDJS-UHFFFAOYSA-N 373.394 1.962 5 40 FDBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)s1 23805605 KYLCWCSSGFYCJX-UHFFFAOYSA-N 368.440 1.871 5 40 FDBB O=C(CN1CCSC1=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 18078245 VWYZBBNDNHLBFY-UHFFFAOYSA-N 350.400 1.412 5 40 FDBB CNC(=O)NC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 21330468 YQNAIZZEHQKPPC-AWEZNQCLSA-N 372.337 1.531 5 40 FDBB CNS(=O)(=O)c1ccc(NCCN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 36395501 RAKGCASDSBANGC-LBPRGKRZSA-N 356.448 1.647 5 40 FDBB CC(=O)OC[C@@H](C(=O)OC1C[C@@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 104100421 CYAJKSQIXDGAIM-GUOCTZQRSA-N 360.430 1.634 5 40 FDBB CC(C)C[C@@H]1NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O 3311038 YGESYUDMSAYBGR-LBPRGKRZSA-N 352.322 1.639 5 40 FDBB O=C(c1cccc([N+](=O)[O-])c1)[C@H](C(=O)N1CCCC1)n1ccccc1=O 4680553 LNMSPGOTBUDCGQ-MRXNPFEDSA-N 355.350 1.803 5 40 FDBB NC(=O)c1ccc(CN2CCN(C(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 24672489 WYJIEJDZTKUTES-UHFFFAOYSA-N 374.422 1.713 5 40 FDBB COc1ccc(OC)c(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c1 24211857 IRLCKCHQBYSEEE-UHFFFAOYSA-N 367.383 1.872 5 40 FDBB C[C@@H]1CN([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 26840778 UHXGXHZAYIZSJM-JHJVBQTASA-N 357.432 1.371 5 40 FDBB O=C(/C=C/c1ccccc1)NCC(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 32721889 HIPFJCUTNSPBBC-SCBHQAGPSA-N 369.377 1.574 5 40 FDBB O=C(CN1CCC[C@@H]1C(=O)NCC(F)(F)F)Nc1ccccc1[N+](=O)[O-] 54991259 VPKSHWUXIQEERF-GFCCVEGCSA-N 374.319 1.676 5 40 FDBB NC(=O)c1ccc(N2CCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)nc1 578928183 XWKRZXORNSVRAG-UHFFFAOYSA-N 367.369 1.292 5 40 FDBB O=c1c2cc3c(=O)n(-c4ccn[nH]4)ccc3nc2ccn1C[C@H]1CCCO1 40399061 ICACQKNKCPRQQY-GFCCVEGCSA-N 363.377 1.603 5 40 FDBB COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 41672101 HXCPXIDVLJTXMW-LLVKDONJSA-N 371.415 1.005 5 40 FDBB CSc1nsc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 9119635 FWJBQLVDARFJJY-UHFFFAOYSA-N 367.412 1.927 5 40 FDBB CCOC(=O)N1CCN(C(=O)COc2ccc(C)cc2[N+](=O)[O-])CC1 7462181 MGMFGDTYPMPHNO-UHFFFAOYSA-N 351.359 1.583 5 40 FDBB NC(=O)c1ccc(Cn2cncc(Br)c2=O)c([N+](=O)[O-])c1 79107671 PREAKGMFWXCDKV-UHFFFAOYSA-N 353.132 1.061 5 40 FDBB Cc1ccc(C(=O)NCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F 24214863 WMRMNAAOZDXYBE-UHFFFAOYSA-N 360.345 1.983 5 40 FDBB CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCN(c2ccccc2)C1=O 89346524 ZIRUFMUPLGNZQN-QGZVFWFLSA-N 370.409 1.884 5 40 FDBB Nc1nc(NCCOCCO)nc(Nc2ccccc2F)c1[N+](=O)[O-] 5054748 JCPPDKNLYWMWDH-UHFFFAOYSA-N 352.326 1.271 5 40 FDBB CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(O)n[nH]c2C[C@]1(C)O 1184531 UDVQDRNFAAQHTD-JDFRZJQESA-N 361.354 1.642 5 40 FDBB Cn1nnc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 57316552 XJXMIWGMVORROU-UHFFFAOYSA-N 373.354 1.505 5 40 FDBB CC(C)NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 17115055 ANVPJIDDADCPQR-UHFFFAOYSA-N 370.431 1.238 5 40 FDBB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 58322743 ZQQAIDBWVYJLFW-ZDUSSCGKSA-N 373.369 1.591 5 40 FDBB O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1nc(-c2cccnc2)no1 12807584 ULNFMEBTXNXOQZ-UHFFFAOYSA-N 350.294 1.798 5 40 FDBB CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 5638079 OAPYRQDHVKNBSF-UHFFFAOYSA-N 370.475 1.767 5 40 FDBB COc1ccc(NC(=O)COC(=O)c2ccc(CO)cc2)c([N+](=O)[O-])c1 7006836 VYUXFAVCKBNGTL-UHFFFAOYSA-N 360.322 1.891 5 40 FDBB C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 48306438 YEMRSNPHTJVILO-XJKSGUPXSA-N 360.414 1.406 5 40 FDBB O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1cccc([N+](=O)[O-])c1 4941391 HRRNZETVEKFOBU-AWEZNQCLSA-N 363.370 1.725 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 9681738 LXZXDBDEGDWINI-UHFFFAOYSA-N 372.406 1.866 5 40 FDBB Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 223300330 KRGNUEIHYIHUOS-UHFFFAOYSA-N 365.367 1.568 5 40 FDBB C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)O[C@H](C)C1 26840768 UHXGXHZAYIZSJM-YNEHKIRRSA-N 357.432 1.371 5 40 FDBB CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)cc1 17209455 RKGZOVUWXMJJPU-UHFFFAOYSA-N 360.374 1.946 5 40 FDBB CNS(=O)(=O)c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1 6510638 WUVMCJHHVHWYCM-UHFFFAOYSA-N 351.384 1.994 5 40 FDBB Cn1cnc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 89756626 FWWNVAJYOSBYFB-UHFFFAOYSA-N 361.177 1.892 5 40 FDBB O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1cccc([N+](=O)[O-])c1 13388965 BVTVFLXJPFSHTJ-UHFFFAOYSA-N 369.297 1.795 5 40 FDBB C[C@@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)O 2949414 DBCBYQRTPCDLER-PEHNMLCRSA-N 373.321 1.548 5 40 FDBB COCCCNC(=O)c1cc(C(=O)NCCCOC)cc([N+](=O)[O-])c1 4600098 KPNPVLAXWDOBIC-UHFFFAOYSA-N 353.375 1.127 5 40 FDBB O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccc1C(=O)NCC(F)(F)F 40139079 XVJIPCCDKKESHD-UHFFFAOYSA-N 371.275 1.722 5 40 FDBB COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCN(C)CC3)n2)cc1 9350618 MWDJLURDGUQRSC-UHFFFAOYSA-N 359.390 1.471 5 40 FDBB COc1cc([C@@H](O)C(=O)c2nc3ccc([N+](=O)[O-])cc3nc2O)ccc1O 17211309 ABDBCTPFDMLPIC-OAHLLOKOSA-N 371.305 1.874 5 40 FDBB O=[N+]([O-])c1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1Cl 20268114 QRKFYUKUGTZALL-UHFFFAOYSA-N 363.823 1.249 5 40 FDBB COc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1[N+](=O)[O-] 11115695 VHGSCCNUNRYFEP-UHFFFAOYSA-N 372.381 1.765 5 40 FDBB O=C(CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc([N+](=O)[O-])cc1 100243404 FDOYPGUBVMTRDR-ZIAGYGMSSA-N 368.393 1.814 5 40 FDBB CCOC(=O)CCCNC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 5786297 WEMVRNLLHYHEFC-JXMROGBWSA-N 364.354 1.611 5 40 FDBB Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)c([N+](=O)[O-])cc1C 408917774 AZQMNTKZYWLALG-DTDBQYNISA-N 358.350 1.407 5 40 FDBB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 225021583 HBQOGDZCYNXODZ-UHFFFAOYSA-N 366.351 1.883 5 40 FDBB O=C(C1=NO[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1cccs1 103751129 LWVHIZZHCAGEGE-FZMZJTMJSA-N 371.330 1.783 5 40 FDBB Nc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] 6346859 BKJIQCXMTXJIKC-UHFFFAOYSA-N 355.350 1.919 5 40 FDBB CCOC(=O)N1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 40047112 WQYHABAXTXRRPH-UHFFFAOYSA-N 350.375 1.698 5 40 FDBB COC(=O)Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1 54040712 SLJCAWALECQORC-UHFFFAOYSA-N 354.344 1.074 5 40 FDBB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O 95444506 VTGRBAPWGLHLDL-GFCCVEGCSA-N 357.388 1.443 5 40 FDBB CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 595593165 RTXPPGCNKKRSOX-SJORKVTESA-N 360.410 1.870 5 40 FDBB CCCn1nnnc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 17075815 MWPYGPYWPYVDFC-UHFFFAOYSA-N 369.794 1.772 5 40 FDBB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100519323 SNVLJRBUBUBHBJ-BRFGJLLKSA-N 370.321 1.883 5 40 FDBB O=C(O)CS(=O)(=O)c1ccc([S@](=O)C(F)(F)F)cc1[N+](=O)[O-] 1794484 MKTMLJJYKOKXHV-OAQYLSRUSA-N 361.275 1.081 5 40 FDBB CN(C)c1nc(N)nc(COc2cc(N3CCCC3=O)ccc2[N+](=O)[O-])n1 9494345 SSIIFGFLEBPXBG-UHFFFAOYSA-N 373.373 1.134 5 40 FDBB CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)COCc1ccccc1 83861134 ZCRDPMHINYSPEP-QGZVFWFLSA-N 361.398 1.266 5 40 FDBB COC(=O)c1cn([C@@H]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])C2)nn1 95941057 YTZIKOUORFROPA-GFCCVEGCSA-N 373.369 1.759 5 40 FDBB COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N(C)Cc2ccccc2C)c1=O 29066072 BSPHPBWNWRTFBS-UHFFFAOYSA-N 373.365 1.510 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1COc2ccccc2O1 28914336 IQTOCRIFHPIJTA-NSHDSACASA-N 350.352 1.713 5 40 FDBB Cn1nnnc1Sc1ccc(C(=O)NCc2ccccn2)cc1[N+](=O)[O-] 9130991 QIIHOAUZOFCNRJ-UHFFFAOYSA-N 371.382 1.595 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1nnnn1-c1ccccc1 9571182 WKELLMNGGFYVHX-UHFFFAOYSA-N 360.355 1.049 5 40 FDBB CNC(=O)C1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 29161894 XNDLSWIRTGWHLJ-NSHDSACASA-N 364.402 1.388 5 40 FDBB Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 11990888 YAKAQJDVAMFDGD-JTQLQIEISA-N 357.344 1.071 5 40 FDBB CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 62580438 IZGIXFDZYPKJBR-UHFFFAOYSA-N 363.395 1.823 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(N2CCOCC2)nc1 5579541 MRPRBIHRHGYTOZ-UHFFFAOYSA-N 364.383 1.627 5 40 FDBB COc1cccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1 9114115 MONBKFQTUJABPK-UHFFFAOYSA-N 357.322 1.968 5 40 FDBB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1 14165530 FKQRKUGGFOIVIV-NEPJUHHUSA-N 367.383 1.087 5 40 FDBB CCOCCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(N)=O 4520312 HXYVMOYZVKGSGJ-UHFFFAOYSA-N 355.398 1.489 5 40 FDBB CN(Cc1ccccc1)C[C@@H](O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 602965837 PGHRCLVGYPKDQP-VQTJNVASSA-N 373.453 1.885 5 40 FDBB Cc1nc(SCc2cccc([N+](=O)[O-])c2)c2c(=O)n(C)c(=O)n(C)c2n1 4138855 UQIYLAMXIOJUIG-UHFFFAOYSA-N 373.394 1.536 5 40 FDBB CCCn1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1C 40050069 OFCYMLJUAGBUMF-UHFFFAOYSA-N 360.370 1.567 5 40 FDBB O=C1NC(=O)[C@H]2[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)NN2Cc1ccccc1 101942675 LBLBOKPVFMOUGK-BZUAXINKSA-N 352.350 1.298 5 40 FDBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCC(=O)NCc1ccncc1 58356157 FUMKRVGLNNPQPU-SNAWJCMRSA-N 354.366 1.826 5 40 FDBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)OCO2 3479444 SLNOMHBEBIXMRS-UHFFFAOYSA-N 371.349 1.760 5 40 FDBB CN1C(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2C1=O 25375481 ZQBFGNCUXPZPFC-UHFFFAOYSA-N 355.306 1.838 5 40 FDBB CCn1cc(CN(C)C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cn1 2778314 DYBHXRVSMKPZNJ-UHFFFAOYSA-N 358.358 1.921 5 40 FDBB COc1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 8202625 OBJKHKVPYBHMGQ-UHFFFAOYSA-N 372.381 1.726 5 40 FDBB COC(=O)c1ccc(COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 24837514 CWHAFCYBSIKUTH-UHFFFAOYSA-N 366.351 1.608 5 40 FDBB C[C@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS(=O)(=O)C1 12174251 QJRAILVUXQRTBF-LBPRGKRZSA-N 358.332 1.202 5 40 FDBB C/C=C(/C)C(=O)O[C@@H]1CC[N+]2([O-])CC[C@@H](COC(=O)/C(=C/C)CO)[C@H]12 5412719 MUIDVKVQYZTVRF-AAIHYXKISA-N 353.415 1.453 5 40 FDBB O=C(COc1ccccc1)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 604404041 IQYNEXXDTVDKHD-UONOGXRCSA-N 369.377 1.781 5 40 FDBB biogenic O=C(O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 1698096 DPWOSPPSFSUKHY-CYBMUJFWSA-N 356.290 1.592 5 40 FDBB in-vitro O=C(N1CCOCC1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 27341540 MFPHWMVVTGYFAP-UHFFFAOYSA-N 354.794 1.822 5 40 FDBB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3C)N2N1 10153005 ATBHGKFUKHJEQK-GFCCVEGCSA-N 358.358 1.158 5 40 FDBB O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)cc1 38149998 WLURKANRWNMQFH-UHFFFAOYSA-N 358.354 1.844 5 40 FDBB CCOC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCCOC)c1=N 100627968 XZALLGJIIAPQAF-UHFFFAOYSA-N 370.409 1.650 5 40 FDBB Cn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21 100861044 BSDCNFHOXLSPOE-UHFFFAOYSA-N 351.410 1.728 5 40 FDBB C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCCCCC3)n2)C[C@@H](C)O1 13786862 PKEVPEIEKQYAHK-TXEJJXNPSA-N 350.423 1.961 5 40 FDBB O=C(NCC(=O)N1CCO[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 30766139 IBEMKAVCZYBFQV-KRWDZBQOSA-N 369.377 1.925 5 40 FDBB Cc1nn(CCCNC(=O)CNc2[nH]nc(C)c2[N+](=O)[O-])c(C)c1Cl 6908650 QBJLCWFHKVCEDN-UHFFFAOYSA-N 369.813 1.711 5 40 FDBB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 32810080 XXUKSIAWBIYMMV-UHFFFAOYSA-N 366.717 1.140 5 40 FDBB O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] 58218737 ZDXZAEBHZMCUAS-LLVKDONJSA-N 360.322 1.493 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc1 13002553 MLNPKDHRTZECTL-UHFFFAOYSA-N 362.411 1.642 5 40 FDBB O=C(C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1)N1CCOCC1 32806256 VUUQDILFDJTPAA-UHFFFAOYSA-N 365.415 1.379 5 40 FDBB Cc1cc(C)c(NC(=O)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)c1 10452116 NFHPWOVRBSLFOI-UHFFFAOYSA-N 372.381 1.437 5 40 FDBB O=C(CCn1c(=O)oc2ccccc21)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 24151800 RRQJNKSCXWCAID-HNNXBMFYSA-N 371.349 1.743 5 40 FDBB O=C(CSc1nc(=O)n2ccccc2n1)Nc1ccc([N+](=O)[O-])cc1 4499752 AFWOXBKOITYIBW-UHFFFAOYSA-N 357.351 1.729 5 40 FDBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1[N+](=O)[O-] 3306591 SFVNWSPPKKKZFK-UHFFFAOYSA-N 370.277 1.947 5 40 FDBB C[C@H]1CN(c2nc(NC[C@H]3CCCO3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 13777754 RCPULQZWOYPBDL-OUAUKWLOSA-N 352.395 1.172 5 40 FDBB C[C@H](C(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F)n1cc([N+](=O)[O-])cn1 6524217 OQBTYYNLAVAYNZ-GCXOYZPQSA-N 353.232 1.159 5 40 FDBB CC[C@@H](C)N(C(=O)Cn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 7391529 HMXPXDWBXYCEJF-MFKMUULPSA-N 372.447 1.222 5 40 FDBB Cn1nnnc1-c1cccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 30588099 PAAGBWQVBMYBQV-UHFFFAOYSA-N 353.342 1.836 5 40 FDBB C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@+]3([O-])CC[C@H](OC1=O)[C@H]23 1616057577 PLGBHVNNYDZWGZ-JASHOZHSSA-N 351.399 1.205 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccnc1-n1cccn1 32916385 HBSJJDYMPCZDJS-UHFFFAOYSA-N 359.367 1.654 5 40 FDBB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N1 9926901 PKJOMPSURPXUOA-VXGBXAGGSA-N 367.383 1.087 5 40 FDBB COCCNC(=O)CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 22696989 KDOWYULEHAGRFK-UHFFFAOYSA-N 364.402 1.078 5 40 FDBB Cc1nn(CC(=O)N2CCN(CCc3ccccc3)CC2)c(C)c1[N+](=O)[O-] 24621093 XSMCTSPKIOKYIX-UHFFFAOYSA-N 371.441 1.795 5 40 FDBB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]2C=C[C@H]1C2 5331375 RVRXKNMUJNHZMO-OQUILHJVSA-N 371.393 1.766 5 40 FDBB COc1ccc(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 100898162 YMLWYIJFKFJQDM-ZBFHGGJFSA-N 367.317 1.896 5 40 FDBB COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 32797237 FPTQSUNEXROODM-WDEREUQCSA-N 350.375 1.128 5 40 FDBB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1cccc([N+](=O)[O-])c1 7939654 GXWPRCASFBTMGX-YUNNIWFXSA-N 360.322 1.274 5 40 FDBB COc1ccc(NC(=O)NCC(C)(C)N2CCN(C)CC2)c([N+](=O)[O-])c1 12812854 NNMAKACSSXOBMQ-UHFFFAOYSA-N 365.434 1.751 5 40 FDBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[C@H](O)COc1ccc(F)cc1 15240647 NGTGZCGYYSYMTN-NSHDSACASA-N 360.297 1.770 5 40 FDBB O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H]1[C@H](O)C(F)(F)F 534729688 YRVIDXRHNMEWFF-PELKAZGASA-N 362.260 1.851 5 40 FDBB CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 595592867 RTXPPGCNKKRSOX-DLBZAZTESA-N 360.410 1.870 5 40 FDBB O=C(NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccoc1 31117007 KKUHVXNSFVTJCG-UHFFFAOYSA-N 373.369 1.052 5 40 FDBB O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OCO2 3234751 IKSWXQLUSFPBLD-UHFFFAOYSA-N 374.305 1.884 5 40 FDBB Cc1nn(CC(=O)NC2CCN(C(=O)C(C)C)CC2)c(C)c1[N+](=O)[O-] 25246212 FHQMJKGULHFXQQ-UHFFFAOYSA-N 351.407 1.171 5 40 FDBB CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)COCc1ccccc1 83861132 ZCRDPMHINYSPEP-KRWDZBQOSA-N 361.398 1.266 5 40 FDBB O=C(c1cc2ccccc2o1)N1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 58158623 ORHOAHKNWGFUIZ-UHFFFAOYSA-N 355.354 1.953 5 40 FDBB CC(C)(C)NS(=O)(=O)c1ccc(N2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 8149526 RHXHPDPXVHXXEJ-LLVKDONJSA-N 357.432 1.633 5 40 FDBB COC(=O)c1cc(C(=O)N2CCCC[C@@H]2C(=O)OC)cc([N+](=O)[O-])c1 40050014 WELMWHGGSQHVEC-CYBMUJFWSA-N 350.327 1.549 5 40 FDBB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1 10385182 HJZHUEFYVPVNKF-ZYHUDNBSSA-N 367.383 1.087 5 40 FDBB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 12923068 LDSVLBRTXAFUNZ-CJNGLKHVSA-N 364.402 1.454 5 40 FDBB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[C@@H]31 245380186 SNVLJRBUBUBHBJ-XQLQCCRHSA-N 370.321 1.883 5 40 FDBB O=C1C[C@H]2C(=O)C[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 4871726 LGHKROZCWUTKDD-MQXWNXJFSA-N 362.725 1.532 5 40 FDBB O=[N+]([O-])c1ccccc1OCCSc1nnnn1C[C@H]1CCCO1 48345898 CBXTUOHFXMQVPR-LLVKDONJSA-N 351.388 1.931 5 40 FDBB CCOC(=O)C1=C(COC(=O)c2cccc([N+](=O)[O-])c2C)NC(=O)NC1 12999801 SKHODYHVCLKUTB-UHFFFAOYSA-N 363.326 1.190 5 40 FDBB COC(=O)c1ccccc1S(=O)(=O)NNc1ncccc1[N+](=O)[O-] 8430987 YRMVVNUKZQCGGG-UHFFFAOYSA-N 352.328 1.082 5 40 FDBB CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1 32796335 GJXBLHPMWZLLHS-UHFFFAOYSA-N 367.383 1.805 5 40 FDBB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cccc([N+](=O)[O-])c1 28924375 APOLCTPNEDBYID-KRWDZBQOSA-N 354.366 1.932 5 40 FDBB Cc1ccc(O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 7821638 BQWSZDPNFZYHSS-VXGBXAGGSA-N 356.400 1.316 5 40 FDBB CCCn1nnc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 32118720 IPFOJCPDGOIVDZ-UHFFFAOYSA-N 369.794 1.772 5 40 FDBB Cc1nc(NS(C)(=O)=O)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 225878313 GDEPUERZGRPEGD-UHFFFAOYSA-N 356.385 1.984 5 40 FDBB COC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N 100747802 XKBLEIIGAXJZDP-UHFFFAOYSA-N 360.373 1.964 5 40 FDBB biogenic CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 6478192 GKMHOZICUIGUIN-LDDOYCOJSA-N 372.333 1.279 5 40 FDBB CC(=O)NC1=NN(C(C)=O)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)S1 2461344 OMXDREQGNMGVMI-LBPRGKRZSA-N 352.328 1.325 5 40 FDBB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 222662232 YWCJRPRMZWZYMN-UHFFFAOYSA-N 371.400 1.904 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@@H](N2CCC(C(=O)O)CC2)C1=O 9926981 POBSGQZEMBWINP-CQSZACIVSA-N 361.354 1.332 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)N(C)C)n1 84190120 UIBPBYJCTXBCPG-UHFFFAOYSA-N 364.383 1.801 5 40 FDBB C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1 9364313 HHHXWBZWGUWOIF-SECBINFHSA-N 366.355 1.043 5 40 FDBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1CCc2ccccc21 57322447 DKFHIRFXUSWMRL-UHFFFAOYSA-N 350.334 1.894 5 40 FDBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 58426308 OOQQZEPIHPPALW-UONOGXRCSA-N 360.366 1.544 5 40 FDBB O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])OCCOCCOCCOCCO2 8892727 ULJMTCOSXHIKST-UHFFFAOYSA-N 358.303 1.324 5 40 FDBB C[C@H](NC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1)[C@H]1C[C@H]2CC[C@H]1C2 103026738 SEBGYLOGMMSARR-FIQHERPVSA-N 360.374 1.777 5 40 FDBB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc([N+](=O)[O-])cc1 4940596 LFXFCRHLZACIBU-UHFFFAOYSA-N 361.335 1.378 5 40 FDBB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 6228683 UOAFACFTMDHLGZ-CQSZACIVSA-N 350.352 1.569 5 40 FDBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)N[C@@H]1CCS(=O)(=O)C1 32777326 AEDQTRLTEIKOLU-MRVPVSSYSA-N 371.396 1.131 5 40 FDBB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 222610791 UZNQXUIEJDTGSH-LLVKDONJSA-N 371.415 1.604 5 40 FDBB CCc1nnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1N 8978364 AJJWYTTXTBWPJA-UHFFFAOYSA-N 352.376 1.202 5 40 FDBB CCN(C(=O)[C@@H](C)Oc1ccc(C)nc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 7166255 ANFFCCKGZSMHFB-NEPJUHHUSA-N 371.415 1.101 5 40 FDBB CC(C)(C)OC(=O)NCC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 95979951 DNAUCNUMUFSNRZ-UHFFFAOYSA-N 353.379 1.885 5 40 FDBB O=C1N(c2ccccc2)Cc2nc(=O)n(Cc3ccc([N+](=O)[O-])cc3)n21 32092769 JNPCKUNPUSUHNH-UHFFFAOYSA-N 351.322 1.990 5 40 FDBB CCCCOC(=O)c1cc([N+](=O)[O-])c(N2CCNCC2)c([N+](=O)[O-])c1 59489747 OMTLNIMPBROJDW-UHFFFAOYSA-N 352.347 1.870 5 40 FDBB COC(=O)CNC(=O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 8939924 BTDDHKNZAMIERE-UHFFFAOYSA-N 350.352 1.991 5 40 FDBB CC(C)(C)OC(=O)[C@@H]1CNCCN1c1ccc(C(=O)O)cc1[N+](=O)[O-] 95935484 JWOGAFLLVAZSCJ-ZDUSSCGKSA-N 351.359 1.413 5 40 FDBB COC(=O)C1=C(C)N(O)C(C)=C(C(=O)O)[C@]1(O)c1cccc([N+](=O)[O-])c1 95931631 CZJCRUOHBLTKCY-MRXNPFEDSA-N 364.310 1.293 5 40 FDBB O=C(Nc1ccc(C(=O)Nn2cnnc2)cc1)c1ccc([N+](=O)[O-])cc1 14405705 ZLVAZPZHGGAUIG-UHFFFAOYSA-N 352.310 1.823 5 40 FDBB O=C(NCC1CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 25084886 YZAGKXHFFCVWJK-UHFFFAOYSA-N 368.415 1.021 5 40 FDBB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 12923078 LDSVLBRTXAFUNZ-XJKSGUPXSA-N 364.402 1.454 5 40 FDBB Nc1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1[N+](=O)[O-] 13195112 BFOCECPPLWOWSB-UHFFFAOYSA-N 365.367 1.995 5 40 FDBB O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1ccco1 5149305 VCVMYQMYENADEN-UHFFFAOYSA-N 362.294 1.432 5 40 FDBB CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3)cnc21 4166250 YQKXFWYQLXIYLV-UHFFFAOYSA-N 370.369 1.895 5 40 FDBB O=C(Cn1cc([N+](=O)[O-])cn1)NCCNc1ccc(C(F)(F)F)cn1 40080795 FHLCNCVKEQZOFQ-UHFFFAOYSA-N 358.280 1.433 5 40 FDBB O=C1CCc2cc([N+](=O)[O-])c(N3CCC(NC(=O)C4CC4)CC3)cc2N1 48287817 NTSDJCOABFHCQH-UHFFFAOYSA-N 358.398 1.975 5 40 FDBB O=C(CSc1nnc2nnc3c4ccccc4[nH]c3n12)N1CCOCC1 15084606 QNCVUEIZBKHYND-UHFFFAOYSA-N 369.410 1.105 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1CCCCCC1=O 40071746 GOTLBFIIFAVQNW-UHFFFAOYSA-N 369.443 1.974 5 40 FDBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C=C[C@@]2(CO)O1 247337301 RBJOPGJGKFHFCD-ZAZJYDDPSA-N 350.714 1.054 5 40 FDBB Cc1ccc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc1[N+](=O)[O-] 10250827 BJEATRVWKUXZTM-UHFFFAOYSA-N 370.369 1.949 5 40 FDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 102590006 QKOGNDPRIJAJBD-WQXBFISLSA-N 367.361 1.586 5 40 FDBB CC(C)(C(=O)NCCn1cc(Br)cn1)n1cc([N+](=O)[O-])cn1 2727575 XJBJPXAZECDUTL-UHFFFAOYSA-N 371.195 1.302 5 40 FDBB CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)S1 2461342 OMXDREQGNMGVMI-GFCCVEGCSA-N 352.328 1.325 5 40 FDBB Nn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccnc1 3618336 DJLAJWUVGLMGCG-UHFFFAOYSA-N 371.382 1.693 5 40 FDBB O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NC(=O)NCc1ccccc1 7778465 KOSZWYKRDNLVEY-UHFFFAOYSA-N 371.349 1.707 5 40 FDBB CS(=O)(=O)N1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 36393822 NHKIYUKAVSSUDG-VOTSOKGWSA-N 353.400 1.148 5 40 FDBB O=C1Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2S(=O)(=O)[C@H]1c1ccccc1 8426273 AUYAEXPFHQHAQM-ZDUSSCGKSA-N 363.307 1.970 5 40 FDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 32811049 WLSOOXLRDAHCJN-UHFFFAOYSA-N 371.415 1.092 5 40 FDBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc([N+](=O)[O-])c1O 105240931 HSCBILAGRCPAAP-ONEGZZNKSA-N 364.270 1.567 5 40 FDBB COc1nc(O)c2c(n1)NC(=O)[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 1548338357 QORJLNATUKCVNG-QMMMGPOBSA-N 373.325 1.239 5 40 FDBB O=C(Nc1cccc(C(=O)Nn2cnnc2)c1)c1ccc([N+](=O)[O-])cc1 14405846 WFDUHFABMCUYPN-UHFFFAOYSA-N 352.310 1.823 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CN2CCC[C@H]2CO1 110569606 SVBUVZYMOLKUJD-QWHCGFSZSA-N 355.416 1.045 5 40 FDBB CS(=O)(=O)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 5637621 JPMABUMFHYITKY-UHFFFAOYSA-N 362.411 1.720 5 40 FDBB CN(C)c1nccc(CN(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 95460045 DUTXCKFGYPRWQK-UHFFFAOYSA-N 369.378 1.411 5 40 FDBB O=C(c1cc(N2CCN3C(=O)NC[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 75106409 UHCYLUXPOCXXJB-CYBMUJFWSA-N 359.386 1.045 5 40 FDBB C[C@@H](NC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1)[C@H]1C[C@@H]2CC[C@@H]1C2 100212454 SEBGYLOGMMSARR-DDHJBXDOSA-N 360.374 1.777 5 40 FDBB COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] 7813520 MXEMHYJTNXIEPT-OAHLLOKOSA-N 363.370 1.067 5 40 FDBB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408556090 ZJVAAYJRWHXJAZ-UHFFFAOYSA-N 372.337 1.297 5 40 FDBB CCOC(=O)C(C(=O)OCC)c1ncc(Br)cc1[N+](=O)[O-] 95931295 YWDRRHINJWKDTJ-UHFFFAOYSA-N 361.148 1.962 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CN1CCCCCC1=O 5538873 DYWCSJXABYICCG-UHFFFAOYSA-N 363.370 1.788 5 40 FDBB CCCCNC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 6273604 MAIGNFSFSGFCHN-UHFFFAOYSA-N 359.404 1.286 5 40 FDBB CCOc1cc([N+](=O)[O-])cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1O 59087047 VRWDOUKMBXSNCK-ONEGZZNKSA-N 364.270 1.567 5 40 FDBB CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1cccc(C)c1[N+](=O)[O-] 10331025 HYJQQEZGAFJWLW-UHFFFAOYSA-N 365.386 1.433 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1COc2ccccc2O1 28914334 IQTOCRIFHPIJTA-LLVKDONJSA-N 350.352 1.713 5 40 FDBB O=C(Nn1cc([N+](=O)[O-])cn1)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 8455259 CIKUWVUZYWUADZ-UHFFFAOYSA-N 357.286 1.328 5 40 FDBB CC(C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4889801 ASBUIMXNNROUQF-UHFFFAOYSA-N 351.359 1.113 5 40 FDBB Cn1c(SCC(=O)Nc2ncccn2)nnc1-c1cccc([N+](=O)[O-])c1 409143185 ZMEDIBWUFGTJCX-UHFFFAOYSA-N 371.382 1.911 5 40 FDBB CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)C1CCCC1 216365945 URCGANOTUYIPBE-UHFFFAOYSA-N 355.416 1.762 5 40 FDBB CCn1c(=O)[nH]c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2c1=O 47206967 CMJLWXHTHKZJJP-UHFFFAOYSA-N 354.322 1.870 5 40 FDBB CCOC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)NN=C2C[C@@]1(C)O 100642337 KONHVAPSKTWBQT-UMPJEAMMSA-N 361.354 1.114 5 40 FDBB O=C(COC(=O)/C=C/c1ccccc1[N+](=O)[O-])NC(=O)NC1CCCC1 3414620 HMSCKFRFRUNXMG-MDZDMXLPSA-N 361.354 1.920 5 40 FDBB CS(=O)(=O)N1CCC(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 139951111 QWXYXVYIWQBACO-UHFFFAOYSA-N 352.372 1.784 5 40 FDBB CCc1c(C)[nH]c(-n2nc(C)cc2NC(=O)c2ccc([N+](=O)[O-])o2)nc1=O 9660401 JABVKDGYWJKFCM-UHFFFAOYSA-N 372.341 1.888 5 40 FDBB O=C(C1CCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 7805038 ZVDFSOUUEMVUSQ-UHFFFAOYSA-N 353.400 1.228 5 40 FDBB COc1cc(C(=O)OCC(=O)NCC(F)(F)F)c([N+](=O)[O-])cc1OC 3427307 KIEIHVOEKDIYBZ-UHFFFAOYSA-N 366.248 1.447 5 40 FDBB Cc1c(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cccc1[N+](=O)[O-] 95406603 WKEBAZQDDJHSDK-APPDUMDISA-N 360.370 1.354 5 40 FDBB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)Nc1cccc([N+](=O)[O-])c1 408651601 GXWPRCASFBTMGX-GBFACREQSA-N 360.322 1.274 5 40 FDBB COC(=O)c1sc(N)c(C(=O)OC)c1Cn1cc([N+](=O)[O-])ccc1=O 31671787 WYJZMXLGJBQPPV-UHFFFAOYSA-N 367.339 1.022 5 40 FDBB O=C1C[C@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc([N+](=O)[O-])cc1 101264604 GMZIPMZBVPJYFG-AWEZNQCLSA-N 361.354 1.066 5 40 FDBB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 12923072 LDSVLBRTXAFUNZ-CZUORRHYSA-N 364.402 1.454 5 40 FDBB CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 4561519 ZCONTSDWPUPKJQ-UHFFFAOYSA-N 353.322 1.695 5 40 FDBB CCN(CC)S(=O)(=O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1 8054620 ILJQYXUDQWLJFE-UHFFFAOYSA-N 357.432 1.586 5 40 FDBB NC(=O)c1ccc(NCCNS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 40059623 UJGDQWWWEXMIAH-UHFFFAOYSA-N 364.383 1.084 5 40 FDBB O=C(O)CSc1cc2c(c([N+](=O)[O-])c1Cl)-n1c(n[nH]c1=O)CO2 12428349 CIGRXCMKVDUZGA-UHFFFAOYSA-N 358.719 1.191 5 40 FDBB COc1ccccc1NC(=O)Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1 878021 ZADBDQKMHTZHLG-UHFFFAOYSA-N 354.326 1.896 5 40 FDBB C[C@H](NC(=O)c1ccc([C@@H](C[N+](=O)[O-])SCCC(=O)O)cc1)C(=O)O 1609241 BCOPSWRKZURYOI-JOYOIKCWSA-N 370.383 1.415 5 40 FDBB O=C(NCc1ccc(CN2CCCC2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O 32768960 GONKIXHPDHUKIM-UHFFFAOYSA-N 356.382 1.809 5 40 FDBB NC(=O)c1ccc(CSc2nnnn2Cc2ccco2)c([N+](=O)[O-])c1 11682993 VSDVEKCHEBAVSW-UHFFFAOYSA-N 360.355 1.614 5 40 FDBB O=C(O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 3069541 AVLJMVYLNQDWNR-CQSZACIVSA-N 366.351 1.275 5 40 FDBB O=C1c2ccccc2C(=O)N1CCn1cc(Br)c([N+](=O)[O-])n1 54919593 XBYRONOSBOPXIJ-UHFFFAOYSA-N 365.143 1.850 5 40 FDBB COc1cc(OCC(=O)NC[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] 66015366 HCVRYKQPXQCQMH-CYBMUJFWSA-N 374.349 1.938 5 40 FDBB CC(C)(C)OC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12723678 WMPOTNJBGVRMOK-UHFFFAOYSA-N 366.370 1.930 5 40 FDBB COC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 408549119 PJSFTQHYZBGOBR-WQLSENKSSA-N 371.305 1.921 5 40 FDBB COc1ccc([C@H]2C([N+](=O)[O-])=C(N)Oc3cc(C)oc(=O)c32)cc1OC 1059670 TWFZDAYYMZIDBB-CYBMUJFWSA-N 360.322 1.894 5 40 FDBB CC1CCN(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 32724187 GJNYGCFVNAKCJR-UHFFFAOYSA-N 350.327 1.739 5 40 FDBB CCOC(=O)c1cnc(Sc2ccc([N+](=O)[O-])c3nonc23)nc1N 408602527 CGVWVMGAXSXYQN-UHFFFAOYSA-N 362.327 1.831 5 40 FDBB Cc1nn(CC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c(C)c1[N+](=O)[O-] 8315363 FOWAUZJQRHXZNZ-UHFFFAOYSA-N 363.349 1.644 5 40 FDBB Cc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] 13637947 HSASZCVUYSPKAJ-UHFFFAOYSA-N 370.321 1.868 5 40 FDBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(NCCO)n2)c1 9350929 RVQANZMPTWGLIC-UHFFFAOYSA-N 350.335 1.132 5 40 FDBB C[C@@H]1CN(C(C)(C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 21051888 OZZOHABKJHKSRW-ZIAGYGMSSA-N 365.430 1.978 5 40 FDBB CC(C)NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 32869437 XNCIBXRSXQVARR-UHFFFAOYSA-N 370.413 1.850 5 40 FDBB CCOC(=O)C1=C(COC(=O)c2ccccc2[N+](=O)[O-])NC(=O)N[C@H]1C 6060041 QNQJAIJFYPHAQD-VIFPVBQESA-N 363.326 1.270 5 40 FDBB O=C(CCNC(=O)Cc1ccccc1)NCCNc1ccc([N+](=O)[O-])cc1 36758317 FYKRHSKPTNNAAQ-UHFFFAOYSA-N 370.409 1.872 5 40 FDBB COCCN1C(=O)S/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 409145744 RPRDLOZBTYUHNV-YRNVUSSQSA-N 354.340 1.992 5 40 FDBB CCOC(=O)C1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 70777225 MZWBPLXANKQJNT-UHFFFAOYSA-N 366.370 1.784 5 40 FDBB NC(=O)c1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)c([N+](=O)[O-])c1 22011372 MYTKXEHHTQJYPH-INIZCTEOSA-N 354.366 1.106 5 40 FDBB CNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N 100921843 RJSLXXRHKGGSQB-UHFFFAOYSA-N 359.389 1.537 5 40 FDBB C[C@H]1CN(C(=O)CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 14086458 AVSLLWVBSDRRDZ-GASCZTMLSA-N 362.430 1.353 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(C2OCCO2)O1 409286337 PTLFTSKVWDDFET-KYZVSKTDSA-N 372.333 1.089 5 40 FDBB Cc1cccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1[N+](=O)[O-] 40090087 MNZUTVBZEJNXFY-LBPRGKRZSA-N 355.416 1.305 5 40 FDBB CCOC(=O)C1=C(COc2ccc(OC)cc2[N+](=O)[O-])NC(=O)N[C@H]1C 7813590 YIRMYQZKPNPNPF-VIFPVBQESA-N 365.342 1.501 5 40 FDBB COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 408548011 BSSYIDIMZKWETP-MDWZMJQESA-N 371.305 1.921 5 40 FDBB O=C(C1=NO[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12)c1ccccc1 3848782 JWJIDCDPKNBZNN-XJKSGUPXSA-N 365.301 1.722 5 40 FDBB biogenic C[N@@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@]3(O)[C@H]1C5 252286782 JVLBPIPGETUEET-RESYIPQXSA-O 356.442 1.670 5 40 FDBB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)N=C2c3ccccc3S(=O)(=O)N12 1066493 XGKRNWIJOHOVIA-UKTHLTGXSA-N 355.331 1.927 5 40 FDBB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1[N+](=O)[O-] 104475955 URGBYVKWILQSGE-GREKMHCPSA-N 355.350 1.649 5 40 FDBB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 5305872 HEXWQTPBOUQASY-CYBMUJFWSA-N 351.384 1.577 5 40 FDBB CCN(CC)CCCN[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O 54173044 JSCMWLRJVUGITK-HNNXBMFYSA-N 366.418 1.698 5 40 FDBB O=C(CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccc([N+](=O)[O-])cc1 100243412 FDOYPGUBVMTRDR-KBPBESRZSA-N 368.393 1.814 5 40 FDBB CCCCn1c(N)c(N(CC)Cc2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O 21385551 LAMKYTBVQGRVPU-UHFFFAOYSA-N 361.402 1.854 5 40 FDBB Cc1ccc(Sc2nc([N+](=O)[O-])nn2CC(=O)N2CCOCC2)cc1 2378027 DDONWPZELWMLLL-UHFFFAOYSA-N 363.399 1.505 5 40 FDBB O=[N+]([O-])c1ccc(NC2CCCC2)c(S(=O)(=O)N2CCOCC2)c1 6923053 CJHIMXHOFZNLEG-UHFFFAOYSA-N 355.416 1.970 5 40 FDBB COc1ccc(C(=O)NC2CCN([C@@H]3CCOC3=O)CC2)cc1[N+](=O)[O-] 95435111 PYEVZQVIRWAPFY-CYBMUJFWSA-N 363.370 1.113 5 40 FDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CN3CCC2CC3)c1C 601447848 XBAGSTVUMJARAM-HNNXBMFYSA-N 353.444 1.926 5 40 FDBB CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc([N+](=O)[O-])cn2)cc1 20031443 AXCBTMLSLADBNF-UHFFFAOYSA-N 351.344 1.254 5 40 FDBB C[C@]1(c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)NC(=O)NC1=O 40118480 QMQCACUPFYTFPY-QGZVFWFLSA-N 354.322 1.902 5 40 FDBB NC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)c1ccccc1 11670261 XBYBQBXKVXZWLH-HNNXBMFYSA-N 359.338 1.382 5 40 FDBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)NC1CCCC1 6465356 QDMSPJQIIDQUHS-NSHDSACASA-N 365.386 1.603 5 40 FDBB Cn1c(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(=O)n(C)c1=O 11298974 PAHCCGCIQVVQLX-UHFFFAOYSA-N 353.718 1.003 5 40 FDBB COC(=O)c1ccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1 4179206 BPVHIYXZAAGNJJ-UHFFFAOYSA-N 361.335 1.942 5 40 FDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1 16085907 DFUCWPYLHLCGOT-UHFFFAOYSA-N 350.352 1.845 5 40 FDBB O=[N+]([O-])c1c(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)nc2ccccn12 25062505 NOTKQEZVPQYQNB-ZIAGYGMSSA-N 361.402 1.392 5 40 FDBB C/C=C1\C[N+]2(C)[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@H](O)[C@]4(C[C@H]12)c1ccccc1N[C@@H]34 217394796 CZPDTQCCDJQAJE-WYHXPYDESA-N 367.469 1.820 5 40 FDBB O=C(Cn1nnc2ccccc2c1=O)Nc1cc([N+](=O)[O-])ccc1Cl 3618146 XHFGILWGQXILNF-UHFFFAOYSA-N 359.729 1.992 5 40 FDBB O=C(O)CC[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F 2451280 YDTBNDVSIIGDTQ-QMMMGPOBSA-N 370.305 1.916 5 40 FDBB O=C(NCCNc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1ccccc1 24205728 YLOCVBUPWHUTQB-UHFFFAOYSA-N 353.338 1.445 5 40 FDBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)N1CCN(C(=O)C2CC2)CC1 53798651 PKKUHCUPESDCMS-UHFFFAOYSA-N 361.398 1.671 5 40 FDBB Cc1ccc(NC(=O)CN(C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)c([N+](=O)[O-])c1 72308712 QUTHTLKZZOOSHO-HIFRSBDPSA-N 369.443 1.739 5 40 FDBB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc([N+](=O)[O-])c1 71980132 RWEQCEGKOHYSOV-CQSZACIVSA-N 363.370 1.332 5 40 FDBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)c1c[nH]c(C(=O)N2CCCC2)c1 12889981 KQYGWVSKBMNJCA-UHFFFAOYSA-N 361.310 1.792 5 40 FDBB O=C(NCCO)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 4729180 WFXMISSFVSLGEC-VBKFSLOCSA-N 355.350 1.474 5 40 FDBB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)cc1[N+](=O)[O-] 408654244 KGDMLCVLRBVOAU-OJTNFQOHSA-N 374.349 1.583 5 40 FDBB CC(C)CC1=NC2=NC(=O)C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)N2N1 199406633 PYMVXXSJOAAZDV-LBPRGKRZSA-N 358.358 1.453 5 40 FDBB c1ccc2c(c1)n1c(-c3cnccn3)nnc1c1nnc(-c3cnccn3)n21 15085581 JQWKQBQQTKETNO-UHFFFAOYSA-N 366.348 1.839 5 40 FDBB COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1cccc(Br)c1 16189611 QAEKZAKUUGFUHW-JTQLQIEISA-N 360.160 1.772 5 40 FDBB CCN(CC)S(=O)(=O)c1ccc(OCc2nnc(C)o2)c([N+](=O)[O-])c1 24707014 BDZJAIYWJCGQJQ-UHFFFAOYSA-N 370.387 1.896 5 40 FDBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](C(=O)Nc2ccccc2)C1 40072624 ICMQNGBOIPZGIT-LBPRGKRZSA-N 369.381 1.944 5 40 FDBB Cc1nn([C@H](C)C(=O)Nn2c(S)nc3ccccc3c2=O)cc1[N+](=O)[O-] 102002803 KKGACIOBDWAUOD-SECBINFHSA-N 374.382 1.430 5 40 FDBB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O 408548615 JTRKBLKFPOWDTH-FPYGCLRLSA-N 355.690 1.020 5 40 FDBB CN(Cc1cnn(C)c1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 25048061 LPYWVAFPPUAOQW-UHFFFAOYSA-N 373.369 1.675 5 40 FDBB C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 25423491 FBFZXKVGZTXOGU-ZDUSSCGKSA-N 372.381 1.655 5 40 FDBB O=c1c2ccccc2nnn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 32815461 MABMIMYXRLIWDV-UHFFFAOYSA-N 350.294 1.798 5 40 FDBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 15173467 GLKMLDGRQYFDDG-UHFFFAOYSA-N 356.448 1.377 5 40 FDBB O=C(OCC(=O)N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 4893170 VGGIFSFZAYQQIE-UHFFFAOYSA-N 363.370 1.211 5 40 FDBB COc1nonc1OCCNCCNc1ccc([N+](=O)[O-])c2cccnc12 27499879 FWAHFLDJAKZPFR-UHFFFAOYSA-N 374.357 1.615 5 40 FDBB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 26483163 WNBJGQNXPXOHJB-GDBMZVCRSA-N 361.446 1.807 5 40 FDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C[C@H]1CCOC1)C1CC1 32469429 VUKZUITUVFCYJL-LLVKDONJSA-N 356.400 1.793 5 40 FDBB Cn1cnnc1[C@@H]1CCCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 31653277 NDPHKNUEQBXGTP-LLVKDONJSA-N 355.358 1.115 5 40 FDBB CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1c([N+](=O)[O-])ncn1C 58168507 SHJKOLWZQKLBBF-UHFFFAOYSA-N 368.415 1.637 5 40 FDBB Nc1nc(N[C@H](CO)c2ccc(Br)cc2)ncc1[N+](=O)[O-] 502786268 XPULFCLQDGLKEP-SECBINFHSA-N 354.164 1.875 5 40 FDBB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 298952247 FSSSKDICWUWGTR-LBPRGKRZSA-N 355.416 1.903 5 40 FDBB O=C(O)CC[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F 2451279 YDTBNDVSIIGDTQ-MRVPVSSYSA-N 370.305 1.916 5 40 FDBB COc1ccccc1N1C(=O)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O 100867690 CLNZFHSJWMAOSN-ZBFHGGJFSA-N 367.317 1.896 5 40 FDBB O=C(Nc1ccc(-n2cncn2)nc1)c1n[nH]c2ccc([N+](=O)[O-])cc12 45342017 PIERPYMMSGRAPX-UHFFFAOYSA-N 350.298 1.699 5 40 FDBB COC(=O)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 3851737 SSRRQMBEWVHEPU-AWEZNQCLSA-N 350.352 1.787 5 40 FDBB biogenic Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@H](N2CCC(C(=O)O)CC2)C1=O 18063869 POBSGQZEMBWINP-AWEZNQCLSA-N 361.354 1.332 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](Cc1ccccc1)C(N)=O 57985425 QYJCRZKTZFXKDJ-CYBMUJFWSA-N 363.395 1.278 5 40 FDBB O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)NCc1ccccc1F 24220136 FDCRSVWSIXKPJE-UHFFFAOYSA-N 362.361 1.866 5 40 FDBB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1nc2ccc([N+](=O)[O-])cc2s1 4392394 ZOXCDOSTOOUXHT-MRVPVSSYSA-N 355.397 1.968 5 40 FDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(N2CCOCC2)cc1 4501238 PBONFBJKAUEADR-UHFFFAOYSA-N 358.354 1.232 5 40 FDBB COC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O 205762760 VMLVIKNPKCWOSE-IZZDOVSWSA-N 352.324 1.813 5 40 FDBB CC(C)NC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 25189575 YQNWEZWJTFCOJH-UHFFFAOYSA-N 368.821 1.531 5 40 FDBB O=C(Nc1cccc2c1C(=O)NC2=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3306749 XFMYXTDIUSTCAA-UHFFFAOYSA-N 356.250 1.639 5 40 FDBB COC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 5207299 YUFDYFZSONETHV-SNVBAGLBSA-N 358.372 1.320 5 40 FDBB CC(=O)Nc1nnc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 222586627 OSPBROACCULHHF-UHFFFAOYSA-N 357.373 1.514 5 40 FDBB CCS(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 8477155 DZBMTNGNVYEADY-UHFFFAOYSA-N 355.416 1.903 5 40 FDBB CCN1CCC[C@H]1CNC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 9531725 ZZMGBJJSQLUCDI-HNNXBMFYSA-N 361.446 1.807 5 40 FDBB Nc1nc(NCCOCCO)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] 4306324 OPNBIGLBHUOHGV-UHFFFAOYSA-N 352.326 1.271 5 40 FDBB O=[N+]([O-])c1ccc(CN(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 246567040 XCEVYIGIRPGYRB-JKSUJKDBSA-N 354.428 1.763 5 40 FDBB O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1nnnn1-c1ccc(F)cc1 9571040 YUZKOTACUYLACR-UHFFFAOYSA-N 356.317 1.569 5 40 FDBB O=C(O)CNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 1834854 FMTZNSFHEQQSKN-XNTDXEJSSA-N 369.333 1.567 5 40 FDBB C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)CCN1 4807946 VNFBEBCTJJHBOE-SNVBAGLBSA-N 372.381 1.741 5 40 FDBB CCNC(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 9544518 QZQHAGIKDGSIMT-UHFFFAOYSA-N 361.310 1.733 5 40 FDBB O=C(O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 409144771 GOUFECFTHKSTII-SGAXSIHGSA-N 352.280 1.444 5 40 FDBB CNS(=O)(=O)c1ccc(NCCN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 36395500 RAKGCASDSBANGC-GFCCVEGCSA-N 356.448 1.647 5 40 FDBB C[C@@H](NC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100212447 SEBGYLOGMMSARR-KKOKHZNYSA-N 360.374 1.777 5 40 FDBB CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 4140052 XBVCVPXLNAHNST-CYBMUJFWSA-N 367.427 1.454 5 40 FDBB CCOC(=O)C1=C(COC(=O)c2ccc([N+](=O)[O-])s2)NC(=O)N[C@H]1C 9490910 JRVPWUOQZCWYBF-ZETCQYMHSA-N 369.355 1.332 5 40 FDBB COCCN1C(=O)[C@H](N2CCSC2=O)[C@H]1c1ccc([N+](=O)[O-])cc1 58111231 KEDLOKLGFZHPDU-CHWSQXEVSA-N 351.384 1.662 5 40 FDBB O=[N+]([O-])c1cc([N+](=O)[O-])c(NC[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 17413799 SVLPCMOIRWXVAU-ZETCQYMHSA-N 360.304 1.258 5 40 FDBB NC(=O)CN1CCC(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 43122238 OQSKGKAVVUULFV-UHFFFAOYSA-N 372.381 1.534 5 40 FDBB CC1CCN(c2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@H](C)C3)n2)CC1 17752440 UTJOMBCEIJNHIG-TXEJJXNPSA-N 350.423 1.817 5 40 FDBB CCOCCCn1c(=N)c(C(=O)OC)cc2c(=O)n3cc(C)ccc3nc21 100628034 JZSGNSLXGQYVCD-UHFFFAOYSA-N 370.409 1.650 5 40 FDBB O=C(CNC(=O)c1ccccc1)NCC(=O)OCc1ccc([N+](=O)[O-])cc1 6595076 GVRCHOAAHTZZOF-UHFFFAOYSA-N 371.349 1.184 5 40 FDBB O=C(CSC(=S)N1CCOCC1)n1ncc2c([N+](=O)[O-])cccc21 657648 HFQVDWONHKSFKV-UHFFFAOYSA-N 366.424 1.935 5 40 FDBB COC(=O)c1cc(C(=O)N2CCC3(CC2)OCCO3)cc([N+](=O)[O-])c1 24994801 GTJUJLYTGUHSAN-UHFFFAOYSA-N 350.327 1.361 5 40 FDBB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)N2N1 101772226 XBRUSEYEPVWEKH-LBPRGKRZSA-N 358.358 1.158 5 40 FDBB COc1ccccc1OCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 69078930 LFWOAPDNQDRXMX-UHFFFAOYSA-N 352.368 1.961 5 40 FDBB C[N@@+]1(CC2CC2)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 584578365 QVVOZYKELHAIPX-VCWGYAJISA-N 358.458 1.843 5 40 FDBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCCN1CCOCC1 408577185 WZXGWPNKCPBYSN-UHFFFAOYSA-N 353.444 1.667 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@H](N2CCCC[C@H]2CCO)C1=O 251154656 MNIUEVQXDXPSJX-BBRMVZONSA-N 361.398 1.772 5 40 FDBB CC(C)NC(=O)CN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 32809032 FSOKUQGTMOOBOW-UHFFFAOYSA-N 363.418 1.659 5 40 FDBB NNc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-] 3885827 HVCPGOYZUNZBCN-UHFFFAOYSA-N 352.328 1.379 5 40 FDBB O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccnc1N1CCOCC1 30312679 JCKOJOCOXOSXQQ-UHFFFAOYSA-N 356.382 1.685 5 40 FDBB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)N2N1 101772229 XBRUSEYEPVWEKH-GFCCVEGCSA-N 358.358 1.158 5 40 FDBB CCC(=O)N1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 48286446 CANSHYVARAFXPX-UHFFFAOYSA-N 355.416 1.369 5 40 FDBB CCCN(C(=O)COc1ccc(C)nc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 12527037 BFDNURLEWWAUKG-GFCCVEGCSA-N 371.415 1.103 5 40 FDBB C[C@H](O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 15209522 KEAYQLFODCUTSV-LBPRGKRZSA-N 357.432 1.952 5 40 FDBB COc1ccc(OC[C@@H](O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 15240649 DDYFFDVKEGOJOV-NSHDSACASA-N 372.333 1.639 5 40 FDBB CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C1CC(C)(C)NC(C)(C)C1 4127147 YXWIHHJPZLOKDK-UHFFFAOYSA-N 350.419 1.524 5 40 FDBB CC(C)[C@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])C(=O)N1CCCC1 84622370 NXYZCKGMZSRBMO-ZDUSSCGKSA-N 359.386 1.662 5 40 FDBB O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccc(-n3cccn3)nc2)cc1 48332571 VLJXRCKQWLAVKR-UHFFFAOYSA-N 373.394 1.795 5 40 FDBB Nc1nonc1OCCNCCNc1ccc([N+](=O)[O-])c2cccnc12 16431480 GLMOMQRDHIMEQX-UHFFFAOYSA-N 359.346 1.189 5 40 FDBB C[C@H](C(=O)Nn1c(S)nc2ccccc2c1=O)n1cc([N+](=O)[O-])cn1 101649304 ZPTWBOBNPADPFA-MRVPVSSYSA-N 360.355 1.121 5 40 FDBB NC(=O)Cc1nc2ccccc2n1C[C@H](O)COc1cccc([N+](=O)[O-])c1 25266083 FUDUVOCYUZCJBD-ZDUSSCGKSA-N 370.365 1.412 5 40 FDBB Cc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)c([N+](=O)[O-])c1 11385570 FHTVZSYUDMZTDA-UHFFFAOYSA-N 363.370 1.788 5 40 FDBB NC(=O)NCCCC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 8619419 WPGMRBGSRNOPIU-JTQLQIEISA-N 355.307 1.207 5 40 FDBB CN1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cn2)CC1 12766451 FWEKXVNWIRHYHY-UHFFFAOYSA-N 371.397 1.759 5 40 FDBB Nc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n[nH]1 13146984 CUPCYHDBGNZNNE-UHFFFAOYSA-N 373.192 1.788 5 40 FDBB Cc1cc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)ccc1[N+](=O)[O-] 47672161 NFJGBKXGDULPRM-UHFFFAOYSA-N 369.425 1.980 5 40 FDBB COC(=O)[C@@H](C(C)=O)C(c1cccc([N+](=O)[O-])c1)[C@H](C(C)=O)C(=O)OC 3173742 NRZGJFOHXKPBOS-KBPBESRZSA-N 365.338 1.435 5 40 FDBB in-vitro CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cccc(C)c3nc21 100642204 UXAGAJDADIQWTG-UHFFFAOYSA-N 369.425 1.223 5 40 FDBB aggregator O=C1NC(=O)[C@H]2[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)NN2Cc1ccccc1 101247521 LBLBOKPVFMOUGK-OWCLPIDISA-N 352.350 1.298 5 40 FDBB NC(=O)[C@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4018268 MSGRHOHOWHISSH-AWEZNQCLSA-N 360.326 1.986 5 40 FDBB CCOC(=O)CCCNC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-] 39588518 DQOILGONWATBIB-MDZDMXLPSA-N 364.354 1.611 5 40 FDBB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 226862531 YBVYKIGGIVGFHV-UHFFFAOYSA-N 369.330 1.642 5 40 FDBB O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 1772492845 HKNWKUFIVYACQN-QWRGUYRKSA-N 369.381 1.228 5 40 FDBB Cn1c(-c2c(N)n(N)c(=O)c3cc([N+](=O)[O-])ccc23)nc2ccccc21 103544323 FLJGWIPQMHLCLE-UHFFFAOYSA-N 350.338 1.759 5 40 FDBB Cc1ccc(OCC(=O)NC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])n1 4961255 GUFINAMRVOIODQ-GFCCVEGCSA-N 359.338 1.633 5 40 FDBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)OCO2 15173375 JBMKMLQNEGWGFM-UHFFFAOYSA-N 351.340 1.583 5 40 FDBB Nc1nonc1OCCN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 408723336 RMLIYPXOADEOGS-UHFFFAOYSA-N 368.781 1.414 5 40 FDBB Cc1ccc(NC(=O)[C@H]2CC(=O)N=C3N=C(CC(C)C)NN32)cc1[N+](=O)[O-] 199423374 OVLMBHZPUBKSLL-CYBMUJFWSA-N 372.385 1.761 5 40 FDBB CCOC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 40151530 AUBIXMOPWCHAGF-UHFFFAOYSA-N 361.351 1.197 5 40 FDBB Nc1cc(N2CCOCC2)c(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 5571585 MILOGBXHLDBLLU-UHFFFAOYSA-N 355.294 1.307 5 40 FDBB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 14256771 NSOJGGOLNKMZDK-UHFFFAOYSA-N 357.369 1.043 5 40 FDBB CCOC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)NN=C2C[C@@]1(C)O 102753940 KONHVAPSKTWBQT-ZOMKSWQUSA-N 361.354 1.114 5 40 FDBB C[C@@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@H](C)C3)n2)C1 102041285 CTWAXLQFRBYOMA-IJLUTSLNSA-N 350.423 1.817 5 40 FDBB CNc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1[N+](=O)[O-] 10992037 NPKOFBLDUHNMEB-UHFFFAOYSA-N 371.397 1.798 5 40 FDBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1 12848072 FLADFMWZVNYTFY-UHFFFAOYSA-N 354.413 1.562 5 40 FDBB CN1CCN(CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)CC1 408718502 RUJJBJJBOBKTRS-GXDHUFHOSA-N 362.411 1.836 5 40 FDBB COCCCn1ccc2nc3ccn(CCCN(C)C)c(=O)c3cc2c1=O 38829051 WSCFWKFVHUFEAO-UHFFFAOYSA-N 370.453 1.700 5 40 FDBB O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1 9009484 JJGGCRPFBIEDBQ-ZDUSSCGKSA-N 358.354 1.252 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 45811084 GBOJELKJRRQYNM-CYBMUJFWSA-N 374.440 1.243 5 40 FDBB Cn1c(=O)c2c(O)c(-c3ccccc3)c(=O)n3c4ccccc4n(c1=O)c23 103837032 LPXQRTHBLFPNIE-UHFFFAOYSA-N 359.341 1.575 5 40 FDBB CS(=O)(=O)c1ccc(NCCc2nnc3ccccn23)c([N+](=O)[O-])c1 18062297 VMXXNAQXYYZQST-UHFFFAOYSA-N 361.383 1.696 5 40 FDBB CCCCOC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1 59381687 MIZLTCCSCSRYBN-HNNXBMFYSA-N 352.435 1.477 5 40 FDBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(N)=O)CC1 6079164 SYUASIYKYCCSGO-VIFPVBQESA-N 354.794 1.773 5 40 FDBB C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 9352396 FMXXLRPXPSKOTO-LLVKDONJSA-N 354.384 1.477 5 40 FDBB CNC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 21633128 YBNSADSSWSOWMQ-UHFFFAOYSA-N 365.367 1.764 5 40 FDBB COc1ccc(OC)c(Nc2nc(NCCO)nc(N)c2[N+](=O)[O-])c1 9210136 PYSCFHHDLNFGCV-UHFFFAOYSA-N 350.335 1.132 5 40 FDBB Cc1cccc(C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)c1[N+](=O)[O-] 58218702 NDIFYOMKHLTROF-LBPRGKRZSA-N 374.349 1.802 5 40 FDBB COC(=O)[C@]1([C@@H](C[N+](=O)[O-])c2ccco2)C(=O)NC[C@@H]1c1ccccc1 4311631 VAZFXBUZRINRPN-QWQRMKEZSA-N 358.350 1.713 5 40 FDBB COc1ccccc1C(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 5966603 KLYFBRIGJAYMHO-UHFFFAOYSA-N 358.306 1.717 5 40 FDBB O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCN(c2nccs2)CC1 48279443 APEJZERHECQRQR-UHFFFAOYSA-N 372.403 1.701 5 40 FDBB CCCn1ccc2nc3ccn(-c4nc(CC)n[nH]4)c(=O)c3cc2c1=O 40399141 QKFNDLMAJNAIAN-UHFFFAOYSA-N 350.382 1.791 5 40 FDBB CCCCOC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 16247637 VNYHVIITVCFZML-UHFFFAOYSA-N 364.310 1.077 5 40 FDBB O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1 18142090 JJGGCRPFBIEDBQ-CYBMUJFWSA-N 358.354 1.252 5 40 FDBB COCCNC(=O)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 22610534 AEPHLVGAFKNDRW-UHFFFAOYSA-N 367.405 1.034 5 40 FDBB CC(=O)c1ccc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)c([N+](=O)[O-])c1 24203841 MVOGZCLZTBTQIK-MAUKXSAKSA-N 363.414 1.947 5 40 FDBB CNC(=O)[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2O1 10032442 OUUDHOLRRICZPR-INIZCTEOSA-N 371.349 1.514 5 40 FDBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccco1 9441817 UMWPAZIGRCBSQO-UHFFFAOYSA-N 360.355 1.793 5 40 FDBB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 409131764 OWHJOPZTRFKTBI-UHFFFAOYSA-N 353.331 1.651 5 40 FDBB CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(Cc2cccnc2)c1=N 100627565 OVYBZJLQQISYSG-UHFFFAOYSA-N 374.404 1.240 5 40 FDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NC(=O)NC1CCCCC1 3527560 DPQJMFDCGMQNHU-UHFFFAOYSA-N 374.353 1.349 5 40 FDBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC(=O)c1cnccn1 48374856 ZHSJXZBTFQVWOR-GFCCVEGCSA-N 357.370 1.724 5 40 FDBB O=C1N(c2ccccc2)Cc2nn(Cc3ccc([N+](=O)[O-])cc3)c(=O)n21 1547201207 OWCYSZNQDFGUMT-UHFFFAOYSA-N 351.322 1.990 5 40 FDBB CCOC(=O)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 20806481 HPEAMBFAZMWGFT-CYBMUJFWSA-N 353.375 1.109 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1ccco1)N(C)C 10331222 ZZQOZKHDESGAGL-CQSZACIVSA-N 360.370 1.854 5 40 FDBB O=C(O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 3069540 AVLJMVYLNQDWNR-AWEZNQCLSA-N 366.351 1.275 5 40 FDBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)NC[C@H]2CCCO2)CC1=O 408640232 ICXMFJVFFJQFID-DGCLKSJQSA-N 363.370 1.252 5 40 FDBB CCOC(=O)c1c(C)n(N2CCOCC2)c2ccc([N+](=O)[O-])cc2c1=O 255186985 ALVHJODXLWCYRZ-UHFFFAOYSA-N 361.354 1.363 5 40 FDBB CN([C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O)S(=O)(=O)c1ccccc1 260679477 OQJHJMSRBPVOQL-OAHLLOKOSA-N 364.379 1.911 5 40 FDBB C[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N1CCNC1=O 7207695 ICFRRXYYXJVTJU-SECBINFHSA-N 362.342 1.266 5 40 FDBB CC[C@@H]1CO[C@@H](C)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 32768433 RPTKVGMDZKVWFR-NWDGAFQWSA-N 363.370 1.346 5 40 FDBB O=C(NCCO)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 1830854 WAUJJVUGGYGTCY-FOWTUZBSSA-N 355.350 1.474 5 40 FDBB Nc1nc(NCCCN2CCOCC2)nc(N2CCCCC2)c1[N+](=O)[O-] 20291898 QGJHSJMCFSSGRX-UHFFFAOYSA-N 365.438 1.092 5 40 FDBB COC(=O)c1cc(C(=O)OCC(=O)N2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 5702564 MWPKTTYCQQFYFF-NSHDSACASA-N 364.354 1.797 5 40 FDBB COc1cccc(N(CC(=O)O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 113879767 GCHXHUFPPWDOIM-UHFFFAOYSA-N 366.351 1.883 5 40 FDBB CNc1ccc([N+](=O)[O-])cc1C(=O)NCCNC(=O)c1ccc(O)cc1 53741755 KONKEAQUQGPWHT-UHFFFAOYSA-N 358.354 1.502 5 40 FDBB C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@H](C)C3)n2)C[C@H](C)O1 102750820 JLOPEXXOVOGYRH-WYUUTHIRSA-N 366.422 1.194 5 40 FDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCCc1ccccc1 3598688 HTLJWZTWQULGDJ-UHFFFAOYSA-N 367.361 1.940 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1 24751430 VRPKFRMHCDYHBB-UHFFFAOYSA-N 354.432 1.448 5 40 FDBB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 2219972 QJONHZNDJIYORY-UHFFFAOYSA-N 369.786 1.826 5 40 FDBB O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 71812663 FEQVHZPSRJOHJH-IHRRRGAJSA-N 353.325 1.950 5 40 FDBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(S(N)(=O)=O)c1 97212359 WHHNHIWMXAJRPB-NSHDSACASA-N 353.356 1.716 5 40 FDBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O 409106875 PSCINJNYLAXLPY-VSUWBIFXSA-N 352.324 1.898 5 40 FDBB NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1F 31482963 KVTUEXOZSXBJED-UHFFFAOYSA-N 357.294 1.773 5 40 FDBB Cn1nnc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 57316627 WPQLMJIQVCUXMJ-UHFFFAOYSA-N 373.354 1.505 5 40 FDBB COc1cc(CSc2nc(N)nc(N)n2)c([N+](=O)[O-])cc1OC(F)F 10030793 BWPSFLAOZBMWFS-UHFFFAOYSA-N 374.329 1.847 5 40 FDBB O=C(OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])s1 84445194 NZZYOZPSYIQIMB-WDEREUQCSA-N 354.384 1.983 5 40 FDBB O=C(O)CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 2275637 DNNDEXPKQITMCB-WQLSENKSSA-N 359.294 1.160 5 40 FDBB COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cc1 7985214 UXIJKCJMCGTCCI-UHFFFAOYSA-N 352.324 1.821 5 40 FDBB O=c1c2cnc(N3CCOCC3)nc2ccn1-c1ccc([N+](=O)[O-])cc1 19974155 OGKXRRDXFUFFPG-UHFFFAOYSA-N 353.338 1.526 5 40 FDBB CN(C(=O)CN1CCC(C(=O)N2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 24992817 RKXHVKGTQJONNA-UHFFFAOYSA-N 374.441 1.892 5 40 FDBB CC(=O)C(C(C)=O)[C@@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1 100702869 PHJVQJFVPDXAEK-ZBFHGGJFSA-N 365.407 1.912 5 40 FDBB CC(C)C(=O)NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20410956 BOIWNSZXAVDCLO-UHFFFAOYSA-N 352.416 1.900 5 40 FDBB CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 70461863 RGYJOXQWTDOGBC-UHFFFAOYSA-N 358.402 1.870 5 40 FDBB O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1cccc([N+](=O)[O-])c1 9288821 RCNFPZBEFIRCHV-CQSZACIVSA-N 361.354 1.066 5 40 FDBB O=C(OC[C@H](CO)n1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 1401228 WSXZTZLURVIGPS-ZDUSSCGKSA-N 352.730 1.800 5 40 FDBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@@H]2CCS(=O)(=O)C2)n1 57682792 RJJZLZPJAKWZAC-CYBMUJFWSA-N 364.383 1.712 5 40 FDBB Nc1nc(NCCOCCO)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 5100880 QQDJHKPSWXIMHP-UHFFFAOYSA-N 368.781 1.785 5 40 FDBB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 3849465 PGIZRJGRJUOIJI-LBPRGKRZSA-N 358.306 1.724 5 40 FDBB biogenic CCN(C(=O)[C@H](C)Oc1ccc(C)nc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 7166286 ANFFCCKGZSMHFB-RYUDHWBXSA-N 371.415 1.101 5 40 FDBB CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C 96008975 IEULTMZBIJXNFN-CQSZACIVSA-N 356.400 1.580 5 40 FDBB Cc1ccc(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)cc1 19816139 TXIWKQJJVKGVFM-UHFFFAOYSA-N 361.379 1.926 5 40 FDBB CCOC(=O)N[C@H](c1ccccc1[N+](=O)[O-])[P@](=O)(O)Nc1ncn[nH]1 1590130 WVTCSZQSDHYCSK-JTQLQIEISA-N 370.262 1.755 5 40 FDBB Nc1cc(=O)[nH]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 18143350 OBNDMFCXPYUHIZ-UHFFFAOYSA-N 355.763 1.645 5 40 FDBB NC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 7780019 OUXGSLOTPVMELA-UHFFFAOYSA-N 372.337 1.559 5 40 FDBB Cc1c(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cccc1[N+](=O)[O-] 95406601 WKEBAZQDDJHSDK-GTNSWQLSSA-N 360.370 1.354 5 40 FDBB O=c1[nH]c(O)nc(/C=C/c2cc(Br)c(O)cc2O)c1[N+](=O)[O-] 33579033 QSKUFCBPRNARPZ-OWOJBTEDSA-N 370.115 1.728 5 40 FDBB C[C@@H]1CCCN(c2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])C1 102751411 BEBGCPKCPRJWBH-IJLUTSLNSA-N 350.423 1.817 5 40 FDBB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1 10385187 HJZHUEFYVPVNKF-JQWIXIFHSA-N 367.383 1.087 5 40 FDBB C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NC1CCCC1 23291594 SMSFCTRXCLHQRN-SECBINFHSA-N 350.327 1.928 5 40 FDBB NS(=O)(=O)c1ccc(Sc2nnc3ccccn23)c([N+](=O)[O-])c1 9639588 VWGDGLUJBLEBRA-UHFFFAOYSA-N 351.369 1.436 5 40 FDBB CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N2CCOCC2)c1 31331696 NJTXBHWUTZWCHN-SNVBAGLBSA-N 354.384 1.721 5 40 FDBB CCCCn1nnc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 57316419 IPZWCWLAGDFIES-UHFFFAOYSA-N 363.403 1.817 5 40 FDBB CCc1ccc(CN(C)C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)cc1 27054687 GCVUKCJYNKUMNY-UHFFFAOYSA-N 372.381 1.076 5 40 FDBB Cc1cc(OCC(=O)N2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] 7549340 GJCCKCGVORXAJO-UHFFFAOYSA-N 357.370 1.421 5 40 FDBB Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(CN2CCOCC2)c1 96999956 MMRQERKGFXMMTJ-UHFFFAOYSA-N 370.409 1.939 5 40 FDBB O=C(NC[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 57158241 HFBXVYWQANBYFL-SFHVURJKSA-N 371.393 1.895 5 40 FDBB COCCN1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 58172642 VSGGNCXHBVRAMS-LBPRGKRZSA-N 357.432 1.379 5 40 FDBB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 5019692 JJAMRTWRADEVMM-AATRIKPKSA-N 356.718 1.849 5 40 FDBB O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])o1 32904687 UBWKVBCSDCFFSG-UHFFFAOYSA-N 359.338 1.590 5 40 FDBB O=C(Cc1nnc2c3ccccc3ncn2c1=O)c1cccc([N+](=O)[O-])c1 6550408 SKXOUCDGOQNUML-UHFFFAOYSA-N 361.317 1.971 5 40 FDBB NC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(F)c(Br)c2)c1=O 47368905 SHHXPOUAESSVKK-UHFFFAOYSA-N 370.134 1.805 5 40 FDBB COc1cc(C(=O)OCC(=O)NCCC(C)C)c([N+](=O)[O-])cc1OC 3370470 KIHWQIRNORRLGE-UHFFFAOYSA-N 354.359 1.931 5 40 FDBB NS(=O)(=O)c1ccc(NCCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 9368716 BAVKQXSRYICIOU-UHFFFAOYSA-N 370.431 1.493 5 40 FDBB Cc1cc(=O)c(C(=O)/N=c2\sccn2C)nn1-c1ccccc1[N+](=O)[O-] 24644580 LGFDEPZGIJGNGX-MSUUIHNZSA-N 371.378 1.590 5 40 FDBB CN(C)c1ncccc1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 58197640 YDRQSKFOYYTBCI-UHFFFAOYSA-N 367.369 1.567 5 40 FDBB CS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 216672457 JOIHJFGHTNCBEU-LLVKDONJSA-N 352.372 1.784 5 40 FDBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NC2CC2)o1 32643920 VXCZOCHBAAAEQO-UHFFFAOYSA-N 351.340 1.881 5 40 FDBB CN1CCN(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 45855661 DGGVWFFVTGBTRV-UHFFFAOYSA-N 360.414 1.221 5 40 FDBB C[C@H]1CN(C(=O)CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 57381183 AVSLLWVBSDRRDZ-GJZGRUSLSA-N 362.430 1.353 5 40 FDBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)COCC3 4776558 KTCICWAGWAVQTI-UHFFFAOYSA-N 356.338 1.144 5 40 FDBB O=C(NCCCO)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 4729178 KNGAHOKNLDYUGP-LGMDPLHJSA-N 369.377 1.864 5 40 FDBB CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N2CCOCC2)c1 31331691 NJTXBHWUTZWCHN-JTQLQIEISA-N 354.384 1.721 5 40 FDBB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 5900549 QGFIIXQFCSEDHH-HOTGVXAUSA-N 366.395 1.109 5 40 FDBB Cc1c(N)cc(S(=O)(=O)O)cc1NC(=O)c1cccc([N+](=O)[O-])c1 1680652 FSLAZGAGXHMWNE-UHFFFAOYSA-N 351.340 1.984 5 40 FDBB O=C(CCNC(=O)c1ccccc1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 12918431 AAAJAXWGGSBUFH-INIZCTEOSA-N 357.366 1.565 5 40 FDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CC(CO)C1 96011428 ANANZWVHZQFARO-UHFFFAOYSA-N 369.443 1.588 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1C1OCCO1 60348889 SEHUBKOOPRMHON-ZDUSSCGKSA-N 356.400 1.819 5 40 FDBB Cn1nc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c2ccccc2c1=O 8145974 YWVGDDWWCUWHCX-UHFFFAOYSA-N 367.365 1.684 5 40 FDBB NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 7979185 MVIOLLJLCJUMMZ-UHFFFAOYSA-N 351.340 1.260 5 40 FDBB C[N+]1(CC2CC2)[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@H]12 167784427 QVVOZYKELHAIPX-WNYCXOQASA-N 358.458 1.843 5 40 FDBB CS(=O)(=O)NC[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 42108618 XVPZCFIFSORULD-LBPRGKRZSA-N 367.431 1.163 5 40 FDBB Cc1ccc2nc3c(cc(C(N)=O)c(=N)n3CCc3ccccc3)c(=O)n2c1 16742230 ZYACVYDLWKWLOF-UHFFFAOYSA-N 373.416 1.779 5 40 FDBB O=[N+]([O-])c1cnn(Cc2ccc(-c3nc4c5cn[nH]c5ncn4n3)o2)c1 17072839 BGUXWLQXUXCVEL-UHFFFAOYSA-N 351.286 1.414 5 40 FDBB COc1ccc([N+](=O)[O-])cc1OCCOc1ccc(S(N)(=O)=O)cc1 31674119 DIHHTMHMFONHHD-UHFFFAOYSA-N 368.367 1.709 5 40 FDBB CCN1CCN(c2nc(N3C[C@@H](C)C[C@@H](C)C3)nc(N)c2[N+](=O)[O-])CC1 5048559 PYDKFBAWCRJPAD-BETUJISGSA-N 363.466 1.591 5 40 FDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(=O)NCc2ccco2)c1C 12602817 JIDUYPHSELMVNO-UHFFFAOYSA-N 367.383 1.399 5 40 FDBB CN(C)C1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCCCC1 15168763 VLLIBNZVDBBWOS-UHFFFAOYSA-N 356.448 1.919 5 40 FDBB CCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n[nH]c1=O 5966079 USCNRMFJPXGTRX-UHFFFAOYSA-N 355.351 1.760 5 40 FDBB COc1ncccc1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 79071450 PJKQWTVIXMHCIR-KRWDZBQOSA-N 356.338 1.966 5 40 FDBB Cc1cc([N+](=O)[O-])ccc1-n1ccc2nc(N3CCOCC3)ncc2c1=O 19958796 QDYUKPBAQOFXAB-UHFFFAOYSA-N 367.365 1.834 5 40 FDBB CNS(=O)(=O)c1ccc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 32779325 SCQCDJATDPBUGQ-UHFFFAOYSA-N 368.459 1.568 5 40 FDBB O=C(NCC[C@]1(O)CCOC1)c1cccc2c(=O)c3ccccc3[nH]c12 652802245 DJFSFICCFQBHPO-FQEVSTJZSA-N 352.390 1.953 5 40 FDBB C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C[C@@H](C)O1 5587114 IMCMOWCMMYDOHF-BETUJISGSA-N 369.443 1.993 5 40 FDBB O=C(NCCCO)/C(=C/c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1 4752087 OHTMOENGXMGQBK-SSZFMOIBSA-N 369.377 1.864 5 40 FDBB O=C(NCCO)/C(=C/c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1 4765658 LWCQHBRIPRUPDH-QINSGFPZSA-N 355.350 1.474 5 40 FDBB CCOc1ccc(NC(=O)C[C@@H](NCCCOC)C(=O)O)c([N+](=O)[O-])c1 10434212 SYXIKKSIBDWZIK-CYBMUJFWSA-N 369.374 1.401 5 40 FDBB CC(=O)Nc1nc(COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cs1 24916377 IMQXYVWRDAISDP-UHFFFAOYSA-N 353.360 1.566 5 40 FDBB CCOC(=O)[C@@H]1CSCCN1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 12933096 GIXBOUGPUGCIAN-LBPRGKRZSA-N 367.383 1.441 5 40 FDBB C[C@@H]1CN(c2nc(NC[C@H]3CCCO3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 13777750 RCPULQZWOYPBDL-GMTAPVOTSA-N 352.395 1.172 5 40 FDBB COC(=O)C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 72314215 XYZFNPRTLWJCHT-CYBMUJFWSA-N 363.370 1.573 5 40 FDBB C[N+]1(C[C@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CCOCC1 226072473 FRRWUFVPHXLPKE-NRFBVMONSA-N 354.511 1.826 5 40 FDBB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 223278793 YRUIWNJGOORKGT-UHFFFAOYSA-N 365.367 1.520 5 40 FDBB O=C(CNC(=O)c1ccccc1)N/C=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 9871578 GQVXVQRIXGXCBB-ZROIWOOFSA-N 366.333 1.434 5 40 FDBB CN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)c1ccccc1 6533033 ORFMAOFFAYCUMA-UHFFFAOYSA-N 373.365 1.819 5 40 FDBB COCCN(CCOC)C(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 5861523 FPWUUIDRHZTKJJ-UHFFFAOYSA-N 374.777 1.526 5 40 FDBB CCOC(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 9364316 VUNDCLTZDGOWPA-UHFFFAOYSA-N 351.359 1.583 5 40 FDBB CCCCCNC(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 8503118 SYBKHDAVCXKKTN-QGZVFWFLSA-N 362.386 1.668 5 40 FDBB O=C(c1cc(N2CCN3C(=O)NC[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 75106411 UHCYLUXPOCXXJB-ZDUSSCGKSA-N 359.386 1.045 5 40 FDBB CCOC(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 66013575 KFWNNJGHMJOAEZ-UHFFFAOYSA-N 367.358 1.283 5 40 FDBB O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 5900551 QGFIIXQFCSEDHH-HZPDHXFCSA-N 366.395 1.109 5 40 FDBB O=C1C[C@H]2C(=O)C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]21 102686590 LGHKROZCWUTKDD-QYOFDKIESA-N 362.725 1.532 5 40 FDBB O=C(Cn1cnc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 23198145 JAKNCQGWWQUKNF-CYBMUJFWSA-N 358.354 1.926 5 40 FDBB C[C@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)NC1CCCCC1 12730948 LJWGMJBPFRQFBA-JTQLQIEISA-N 371.415 1.458 5 40 FDBB O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 5900546 QGFIIXQFCSEDHH-JKSUJKDBSA-N 366.395 1.109 5 40 FDBB CC(C)OCCCN[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O 5257945 GFNSTJHHRMHUJW-CQSZACIVSA-N 353.375 1.781 5 40 FDBB O=C(NCCc1ccc(F)cc1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 12429201 GCQUIMOWTNJPRL-UHFFFAOYSA-N 360.305 1.334 5 40 FDBB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O 13546613 RYJPTMBHRBJJPC-WDZFZDKYSA-N 352.324 1.900 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1Cn1cncn1 26862901 XIHUPJSJLPJYFE-UHFFFAOYSA-N 373.394 1.713 5 40 FDBB CC(=O)c1cccc(NC(=O)CS[C@H]2N=c3ccc([N+](=O)[O-])cc3=N2)c1 4581339 NBQVVMRMNSZCBB-KRWDZBQOSA-N 370.390 1.706 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1COC2(CCCCC2)O1 7595545 ZOYFWYAAOOWRGP-GFCCVEGCSA-N 356.400 1.949 5 40 FDBB CSc1ccc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)cc1[N+](=O)[O-] 11205957 FFPZGBXJDAXNKW-UHFFFAOYSA-N 365.367 1.071 5 40 FDBB Cc1ccc([C@]2(C)NC(=O)N(CCn3cc([N+](=O)[O-])ccc3=O)C2=O)o1 89652574 IBZZKHBXJJSCCV-INIZCTEOSA-N 360.326 1.125 5 40 FDBB O=C(O)c1ccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1O 226862661 QHPNSVKMXUUGKR-UHFFFAOYSA-N 356.287 1.939 5 40 FDBB O=C1NC(=O)[C@H]2[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)NN2Cc1ccccc1 19169930 BXRVAWQWSBMDNP-OWCLPIDISA-N 352.350 1.298 5 40 FDBB C[C@H]1CN(S(=O)(=O)CCNc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 40091262 HQFKVRFXIQXFEF-QWRGUYRKSA-N 361.395 1.585 5 40 FDBB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1595221 AGZMQTIIZFXACL-UHFFFAOYSA-N 357.369 1.043 5 40 FDBB CC(=O)[C@@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N[C@]1(O)C(F)(F)F 57531213 NOUGBGSAULFXJN-JFGNBEQYSA-N 363.248 1.110 5 40 FDBB O=C(OCC1=NS(=O)(=O)c2ccccc2N1)c1cccc([N+](=O)[O-])c1 58179288 PFNJWDGMDICIET-UHFFFAOYSA-N 361.335 1.965 5 40 FDBB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 50530411 LKWGLTKSSODLOX-UHFFFAOYSA-N 362.367 1.586 5 40 FDBB CN(CCCNc1nc2ccccn2c(=O)c1[N+](=O)[O-])CC(F)(F)F 32932641 IYAUNLURCXWUBU-UHFFFAOYSA-N 359.308 1.899 5 40 FDBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 6495310 QLZYQBUMRZSKSD-UHFFFAOYSA-N 360.351 1.955 5 40 FDBB CNS(=O)(=O)c1ccc(NC[C@H](CC(C)C)N(C)C)c([N+](=O)[O-])c1 24758563 IPNBLXOLZBDVEU-LBPRGKRZSA-N 358.464 1.891 5 40 FDBB Cc1cc2c(c(=O)n1C)[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)CC(=O)O2 524733043 OBYLZKRDLOKVQO-JTQLQIEISA-N 358.306 1.772 5 40 FDBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)O 12419289 RBHBEWQWGSWVRQ-HWKANZROSA-N 363.282 1.026 5 40 FDBB COCCN(C)C[C@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 72273954 DWMVNJAYPQJASU-OAHLLOKOSA-N 351.403 1.543 5 40 FDBB O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2 24997026 JCKKFBAWYDQJHS-UHFFFAOYSA-N 359.342 1.155 5 40 FDBB O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 221866919 VDMLSIPPOUVVJS-WYUUTHIRSA-N 365.139 1.800 5 40 FDBB O=c1/c(=C/c2ccccc2[N+](=O)[O-])sc2nnc(-c3cccnc3)n12 1623192 FSRJYDVLVFHNDO-JYRVWZFOSA-N 351.347 1.669 5 40 FDBB C[C@H](C(=O)Nc1ncccn1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 58150389 YAHPRUBVPJUHCJ-CYBMUJFWSA-N 356.386 1.534 5 40 FDBB C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 14098551 WBDUVTHNEGSLGX-STQMWFEESA-N 371.459 1.761 5 40 FDBB CC(=O)C(C(C)=O)[C@H](C1=C(C)[C@@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1 100702872 PHJVQJFVPDXAEK-GOEBONIOSA-N 365.407 1.912 5 40 FDBB C[C@H]1CN(C(C)(C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 21051895 OZZOHABKJHKSRW-OKILXGFUSA-N 365.430 1.978 5 40 FDBB C[C@H](NC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100212443 SEBGYLOGMMSARR-QCNOEVLYSA-N 360.374 1.777 5 40 FDBB CCN(CC(=O)NC(C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 8746546 QAHMARCBGRQTEX-UHFFFAOYSA-N 359.386 1.767 5 40 FDBB CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N(C)C1=S 6672297 NEZTXEOSLMEIPR-ZDUSSCGKSA-N 374.422 1.321 5 40 FDBB CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 7309814 JXHCUEDJCBKASG-UHFFFAOYSA-N 353.356 1.125 5 40 FDBB CCOC(=O)C1=C(COC(=O)c2ccc(C)c([N+](=O)[O-])c2)NC(=O)NC1 12853788 MKTNZBUGHNXGKT-UHFFFAOYSA-N 363.326 1.190 5 40 FDBB O=C1[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 37613795 RBJOPGJGKFHFCD-MCYUEQNJSA-N 350.714 1.054 5 40 FDBB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc([N+](=O)[O-])cc1 5351715 CIABFLCPZCUYCV-CQSZACIVSA-N 363.370 1.725 5 40 FDBB COc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c([N+](=O)[O-])cc1OC 10457218 HFJWNNDEUYTBHK-UHFFFAOYSA-N 361.354 1.847 5 40 FDBB CCN(CC)CCCn1c(S)nnc1CCn1nc([N+](=O)[O-])cc1C 7263588 UUJSUPBOGFOAPH-UHFFFAOYSA-N 367.479 1.955 5 40 FDBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O)N1CCOCC1 214308328 UVFKUZUSNGBKRJ-JXMROGBWSA-N 367.339 1.083 5 40 FDBB COCCN1C(=O)[C@@H](N2CCSC2=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 58111224 KEDLOKLGFZHPDU-STQMWFEESA-N 351.384 1.662 5 40 FDBB CCCNC(=O)CN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 84756478 FDSLRVHAMXQHBN-UHFFFAOYSA-N 354.838 1.892 5 40 FDBB NC(=O)c1ccc(CN2CCCN(c3nccs3)CC2)c([N+](=O)[O-])c1 58160271 SCDJNHCLWVEFCC-UHFFFAOYSA-N 361.427 1.863 5 40 FDBB O=C(NO[C@@H]1CCCCO1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 65612247 JYACRIPRJZUGDQ-OAHLLOKOSA-N 351.359 1.619 5 40 FDBB CCOC(=O)C1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 72422452 FOBKCZHTHJVNIX-UHFFFAOYSA-N 362.386 1.565 5 40 FDBB COc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 225021273 ZUUHKXXOMBKLOE-UHFFFAOYSA-N 366.351 1.883 5 40 FDBB O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2COC3(CCCCC3)O2)c1 7595551 GXAUJUFUQPVXIW-CYBMUJFWSA-N 356.400 1.949 5 40 FDBB O=C(O)CC[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 2088067 NSEGVQVTJRXODS-MRVPVSSYSA-N 370.305 1.916 5 40 FDBB C[C@@H](C(=O)O)N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 16322432 ZOJJLYPUPRRRRG-LURJTMIESA-N 359.250 1.725 5 40 FDBB Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 9515060 SWMUZYCSXNMNAJ-UHFFFAOYSA-N 354.344 1.150 5 40 FDBB Cc1n[nH]c2ncc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)cc12 89568209 UFSLVZWBOYFOCC-UHFFFAOYSA-N 354.326 1.543 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCC[C@H](C)C1)S(C)(=O)=O 13672691 XRRHXDNECSOZJB-LBPRGKRZSA-N 369.443 1.928 5 40 FDBB C[C@H]1CN(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 4219571 TYGAPQIFISWOQR-RYUDHWBXSA-N 368.411 1.866 5 40 FDBB CNC(=O)C1CCN(C(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)CC1 32932560 VDNAOQYDAYIHQG-UHFFFAOYSA-N 359.386 1.319 5 40 FDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(C)=O 101401504 KSLNTZQUHIHGPZ-JZJYNLBNSA-N 368.393 1.854 5 40 FDBB CC(=O)c1ccc(NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c([N+](=O)[O-])c1 24203828 MVOGZCLZTBTQIK-QAPCUYQASA-N 363.414 1.947 5 40 FDBB O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F 3257140 NPNQEYPMBBQGOI-CABCVRRESA-N 352.293 1.697 5 40 FDBB CNS(=O)(=O)c1ccc(Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 7141195 WLGDASGNYLMZBB-UHFFFAOYSA-N 351.340 1.975 5 40 FDBB O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 37613796 RBJOPGJGKFHFCD-OXJKWZBOSA-N 350.714 1.054 5 40 FDBB O=C1C[C@@]2(CCSC2)C(=O)N1C[C@H](O)COc1cccc([N+](=O)[O-])c1 69948312 JAYFFZBHTWNIFL-BLLLJJGKSA-N 366.395 1.217 5 40 FDBB CS(=O)(=O)c1ccc(NCCCOC[C@@H]2CCCO2)c([N+](=O)[O-])c1 8745687 SEYCETBQHULOTK-LBPRGKRZSA-N 358.416 1.996 5 40 FDBB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 3188190 JVHRPLXWZFPXIJ-CQSZACIVSA-N 350.352 1.569 5 40 FDBB O=C(O)[C@H]1Cc2ccccc2CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] 580838340 FBOIHDQGWPGTCN-DOTOQJQBSA-N 372.377 1.846 5 40 FDBB CC(=O)NCCC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 8724196 QRQZDNXWQVUWAL-MRVPVSSYSA-N 357.750 1.645 5 40 FDBB O=C(CCn1cnc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)C(F)F)cc1 24812707 OPZTWLOVWSMEER-UHFFFAOYSA-N 374.325 1.816 5 40 FDBB O=C(O)c1cc([N+](=O)[O-])ccc1NC[C@@H]([C@H]1CCOC1)N1CCOCC1 25044548 IWSSAJQYBBBPHF-LRDDRELGSA-N 365.386 1.442 5 40 FDBB COC(=O)c1cccc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)c1 56124790 KRJIDLCRHJCHBH-UHFFFAOYSA-N 350.352 1.860 5 40 FDBB Cn1ccnc1C(=O)c1ccc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 69946677 UCMTZWSVPYWWSE-UHFFFAOYSA-N 357.370 1.261 5 40 FDBB O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC(=O)N(c2ccccc2)C1 84549334 UHZLRRAPYZPAIL-CYBMUJFWSA-N 355.350 1.895 5 40 FDBB Cc1cc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)no1 5400918 ZLOLMJIHEDNIPI-UHFFFAOYSA-N 355.310 1.754 5 40 FDBB O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H](O)COCc1cccs1 9690790 GULDSKKALQCSJT-LBPRGKRZSA-N 361.379 1.944 5 40 FDBB C[C@@]1(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)NC(=O)NC1=O 47167134 KJBIWHKYQRKOSN-KRWDZBQOSA-N 354.322 1.902 5 40 FDBB O=C(NC[C@@H]1COCCO1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 55847837 SLOFUWUHHCLAID-SNVBAGLBSA-N 364.276 1.681 5 40 FDBB O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2COC3(CCCCC3)O2)c1 7595553 GXAUJUFUQPVXIW-ZDUSSCGKSA-N 356.400 1.949 5 40 FDBB CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)CC1 16807802 OXMFAZFUDLUQEG-UHFFFAOYSA-N 371.415 1.674 5 40 FDBB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 5462300 WJEJBIWASWIRRR-UHFFFAOYSA-N 359.729 1.992 5 40 FDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1[N+](=O)[O-] 8663698 MJOGZPSYUPGTRV-UHFFFAOYSA-N 370.277 1.738 5 40 FDBB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 3849474 IRTFYSIOYPNBLF-LBPRGKRZSA-N 357.322 1.459 5 40 FDBB Cc1ccc(OCC(=O)N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 8506246 XOFCHGMUSOLPNU-UHFFFAOYSA-N 357.370 1.421 5 40 FDBB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCc1ccccc1[N+](=O)[O-] 108456330 QMNJPUFJNLMXEU-DPDCMNJDSA-N 355.350 1.018 5 40 FDBB Cc1ccccc1CN1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 27390324 RUIWAQDDBRIFJD-UHFFFAOYSA-N 357.414 1.834 5 40 FDBB COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] 7813519 MXEMHYJTNXIEPT-HNNXBMFYSA-N 363.370 1.067 5 40 FDBB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 225630921 RVRXKNMUJNHZMO-UWWPHRKUSA-N 371.393 1.766 5 40 FDBB O=C1NC2=C(C(=O)N(Cc3ccco3)C2)[C@H](c2ccc([N+](=O)[O-])cc2)N1 14246123 MDWBHKZXINUPTJ-HNNXBMFYSA-N 354.322 1.838 5 40 FDBB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccncc2)cc1[N+](=O)[O-] 4715513 GICSAFROQAVQCY-UHFFFAOYSA-N 364.383 1.007 5 40 FDBB COc1cc(NC(=O)CN2CCC(C(N)=O)CC2)c(C)cc1[N+](=O)[O-] 9337691 LBMNXCWUEIQMJV-UHFFFAOYSA-N 350.375 1.048 5 40 FDBB O=C(C1=NO[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12)c1cccs1 3849152 RZBLTGSUNCBWIN-SMDDNHRTSA-N 371.330 1.783 5 40 FDBB biogenic O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5331374 RVRXKNMUJNHZMO-GFOFROLCSA-N 371.393 1.766 5 40 FDBB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)Nc1ccccc1[N+](=O)[O-] 40151593 KPNPAYMEISALEX-LBPRGKRZSA-N 370.431 1.921 5 40 FDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(C(=O)N(C)C)CC2)c1C 9048393 MBGMLZZBJGCFLF-UHFFFAOYSA-N 369.443 1.701 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(C(N)=O)cc1 32771301 WQFWPJUZQMQAQD-UHFFFAOYSA-N 363.395 1.823 5 40 FDBB CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Oc1ccccc1[N+](=O)[O-] 2554982 KSOSHRILCLONAA-VIFPVBQESA-N 353.331 1.269 5 40 FDBB in-vitro Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 32903407 AUQZMBRFNYENGV-KRWDZBQOSA-N 370.409 1.929 5 40 FDBB CCOc1ccc(Nc2nc(N3CCN(C)CC3)nc(N)c2[N+](=O)[O-])cc1 4306133 YUFXCLCPCLMCEN-UHFFFAOYSA-N 373.417 1.861 5 40 FDBB Nn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1C(F)(F)F 5993658 BXLQDEMHNHKXCS-UHFFFAOYSA-N 362.293 1.650 5 40 FDBB O=C(COc1cc(N2CCCC2=O)ccc1[N+](=O)[O-])NC[C@H]1CCCO1 9513807 XCDOHHJYQQQXNU-CYBMUJFWSA-N 363.370 1.396 5 40 FDBB Cn1cc(C(=O)NC2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cn1 48302766 UYDKXPOUHDOPCW-UHFFFAOYSA-N 371.397 1.292 5 40 FDBB C[C@@H]1CN(c2nc(NC[C@@H]3CCCO3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 5164803 RCPULQZWOYPBDL-MXWKQRLJSA-N 352.395 1.172 5 40 FDBB O=C(COc1ccccc1[N+](=O)[O-])N1CCN(CCc2ccccn2)CC1 8586505 UWPTVOZKIFDWSH-UHFFFAOYSA-N 370.409 1.756 5 40 FDBB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c([N+](=O)[O-])c1 408710684 VIXNYNJZNTXEME-GREKMHCPSA-N 355.350 1.649 5 40 FDBB O=C1[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 229800676 RBJOPGJGKFHFCD-OXIQGZBJSA-N 350.714 1.054 5 40 FDBB CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 614775565 HDRFUAXXNXAXLH-JTQLQIEISA-N 350.404 1.445 5 40 FDBB CC(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 24753315 LHAHDNUVECAMJJ-SFYZADRCSA-N 357.750 1.643 5 40 FDBB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 3449450 RVQGOVXINIDEPZ-OAHLLOKOSA-N 366.761 1.907 5 40 FDBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 8646688 WFEVITFBKAHDQS-KRWDZBQOSA-N 360.370 1.421 5 40 FDBB CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 409237556 VISAJPWLBLDRAC-RUDMXATFSA-N 356.132 1.976 5 40 FDBB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3187664 HMPNOOCHYKCCQH-AWEZNQCLSA-N 359.294 1.929 5 40 FDBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cnccn1 15023454 VWWIJKSWCYVTLW-UHFFFAOYSA-N 371.382 1.911 5 40 FDBB Nc1nc(NCCN2CCOCC2)nc(N2CCCCCC2)c1[N+](=O)[O-] 20328407 CZYNDQIURNJAAA-UHFFFAOYSA-N 365.438 1.092 5 40 FDBB CS(=O)(=O)NC[C@@H]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1 32923713 GGQZTXKJHSORSD-NSHDSACASA-N 353.404 1.008 5 40 FDBB CCOC(=O)C1CCN(C(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)CC1 2731092 KHFBRNVSYFNBBO-UHFFFAOYSA-N 358.782 1.637 5 40 FDBB O=c1[nH]c(CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)nc2ccccc12 58492921 QRCDFQUASDJSNR-UHFFFAOYSA-N 366.381 1.549 5 40 FDBB Cc1nn(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-] 5346667 ILMJRUGVEAWUSL-CYBMUJFWSA-N 372.447 1.080 5 40 FDBB CCCNC(=O)[C@H](C)OC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 7840198 VJDVUQORDCDZIU-YEZKRMTDSA-N 350.327 1.795 5 40 FDBB C[C@@]1(C2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)NC(=O)NC1=O 72312261 DPVFYWXWOLTINE-SFHVURJKSA-N 369.381 1.958 5 40 FDBB NS(=O)(=O)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 3428718 JHQUIPBFPXSZDR-UHFFFAOYSA-N 367.408 1.973 5 40 FDBB Cc1ccc(C(=O)N2[C@H](C(=O)O)COC23CCN(C)CC3)cc1[N+](=O)[O-] 71980041 LPFXNSJHOGZQDF-AWEZNQCLSA-N 363.370 1.251 5 40 FDBB O=[N+]([O-])c1ccc(-c2noc(CN3CCN(Cc4ncc[nH]4)CC3)n2)cc1 78809064 ADQYCRWTKZIJMM-UHFFFAOYSA-N 369.385 1.686 5 40 FDBB CC1(C)Cc2cccc(OCCNC(=O)Cn3cc([N+](=O)[O-])cn3)c2O1 24451338 VDLIBZZGYGLCSR-UHFFFAOYSA-N 360.370 1.700 5 40 FDBB NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(Cl)cc2)c1=O 12760063 NAKKROVHSJKORE-UHFFFAOYSA-N 350.718 1.148 5 40 FDBB Cn1nnnc1Sc1ccc(C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 9316372 NEZXIPKAWOFFHY-SNVBAGLBSA-N 364.387 1.178 5 40 FDBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCCN2CCOCC2)c1 19619462 PCSSFFYEYGYCHI-UHFFFAOYSA-N 363.823 1.249 5 40 FDBB Nc1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1[N+](=O)[O-] 9157374 OQUCGGQIBRFSAH-UHFFFAOYSA-N 368.349 1.970 5 40 FDBB CCN1CCN(c2nc(Nc3cccc(F)c3)nc(N)c2[N+](=O)[O-])CC1 5099605 LCPOZPDZVHLBDT-UHFFFAOYSA-N 361.381 1.992 5 40 FDBB O=C(N[C@@H](CO)C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 2566946 QHQIGLCKFLRBTI-INIZCTEOSA-N 374.349 1.925 5 40 FDBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 24862801 CARPHKDXSCYZGD-SWLSCSKDSA-N 369.443 1.233 5 40 FDBB Cn1c(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(=O)n(C)c1=O 11297363 IRMQWEYBSRDBER-UHFFFAOYSA-N 353.718 1.003 5 40 FDBB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 8747589 WVPXITRRXOJOCO-UHFFFAOYSA-N 350.375 1.870 5 40 FDBB CC(C)[C@H](C)NC(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 5391169 NSZMUMQOYMIMRC-JTQLQIEISA-N 352.343 1.684 5 40 FDBB Cn1cncc1CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 96011375 DHFILJVNLYCEGF-UHFFFAOYSA-N 354.370 1.947 5 40 FDBB COc1ccc(Nc2nc(NCCOCCO)nc(N)c2[N+](=O)[O-])cc1 9461077 OITPEJXROHNEAH-UHFFFAOYSA-N 364.362 1.140 5 40 FDBB C[C@H](c1ccccc1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 12928279 KZXUNHLPUSXQGF-OAHLLOKOSA-N 370.409 1.662 5 40 FDBB O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 1889083348 JFMHGCKHRXNRDV-ZIAGYGMSSA-N 356.294 1.531 5 40 FDBB Cn1c(=O)c2nc(SCc3ccc([N+](=O)[O-])cc3)n(C)c2n(C)c1=O 4571024 WDXSEXQSLQZYPO-UHFFFAOYSA-N 361.383 1.171 5 40 FDBB Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 9707790 KSZUQNARTZOBCP-UHFFFAOYSA-N 360.355 1.891 5 40 FDBB CC(C)[C@@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])N1CCN(C)CC1 24765931 KLXUTAABSPZJSN-CQSZACIVSA-N 374.445 1.287 5 40 FDBB O=C(NCc1cccnc1-n1cccn1)c1n[nH]c2ccc([N+](=O)[O-])cc12 48168516 SOACNBRBEMPXQK-UHFFFAOYSA-N 363.337 1.982 5 40 FDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)c1nnc2ccccn12 75107095 BPVLFUBZPRKGHQ-LLVKDONJSA-N 361.383 1.985 5 40 FDBB CC(C)[C@@H](C)NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225224730 PSKFSYOAZDNWIP-VXGBXAGGSA-N 357.432 1.910 5 40 FDBB CCC(=O)N1C(=O)[C@@H](C)[C@]23c4cccc([N+](=O)[O-])c4C(=O)N2CCCN13 5662838 SVWKMRNBDRQCKA-QGHHPUGFSA-N 358.354 1.239 5 40 FDBB C[C@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6175276 JKEWXFZKPSFZOD-ZETCQYMHSA-N 368.733 1.384 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCC(C)CC1)S(C)(=O)=O 10372080 BTYQBGXJMLZNOK-UHFFFAOYSA-N 369.443 1.928 5 40 FDBB O=C(CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCCC1 49093396 MWDFUDTXXIZTQT-UHFFFAOYSA-N 352.822 1.993 5 40 FDBB C[C@H]1CN(S(=O)(=O)CCNc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 40091237 WQUFMGQHTBRNBR-PHIMTYICSA-N 361.395 1.585 5 40 FDBB CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)N(C1CC1)C(=S)N=C2O 8741439 UGKWOOJVLXCALE-INIZCTEOSA-N 360.395 1.820 5 40 FDBB CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O 8974861 NECZUMLEHFZZAC-RDTXWAMCSA-N 372.381 1.593 5 40 FDBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C(=O)Nc2ccccc2)C1 40072623 ICMQNGBOIPZGIT-GFCCVEGCSA-N 369.381 1.944 5 40 FDBB O=C(NCCO)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O 3138252 YEJBDLKTCILYIS-UHFFFAOYSA-N 357.278 1.437 5 40 FDBB CNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC 8476052 HBTBNGXCURLGJR-UHFFFAOYSA-N 365.367 1.764 5 40 FDBB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 12903229 NEMDWGZNOMKNOJ-HNNXBMFYSA-N 367.427 1.760 5 40 FDBB CCC(=O)NCCC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 40088848 PJQFTCTZMUHWPT-UHFFFAOYSA-N 353.375 1.187 5 40 FDBB O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccc2[nH]c(=O)[nH]c2c1 13040909 COLUFTPXLCVYJS-UHFFFAOYSA-N 362.323 1.621 5 40 FDBB Cc1ccsc1-c1nnc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)o1 58305082 OEGXEFWUJTTYMX-UHFFFAOYSA-N 361.339 1.815 5 40 FDBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)cc1[N+](=O)[O-] 409042436 MYFAKCLFUPEGAA-LTCOOKNTSA-N 372.333 1.743 5 40 FDBB Cc1cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)ccc1[N+](=O)[O-] 32797553 VJKXKJUJGOSWPV-UHFFFAOYSA-N 363.351 1.859 5 40 FDBB CC[C@@H](COB(OC[C@H](CC)[N+](=O)[O-])OC[C@@H](CC)[N+](=O)[O-])[N+](=O)[O-] 195751762 FJUSRQXNIROVNL-SDDRHHMPSA-N 365.148 1.187 5 40 FDBB CN(Cc1ccn(C)n1)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 2793882 SYADFKORSWPKNB-UHFFFAOYSA-N 355.358 1.240 5 40 FDBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O 409064128 BUAHIXGQVVCPAA-KEXZDQNZSA-N 352.324 1.898 5 40 FDBB CCCS(=O)(=O)NC1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])CC1 32912689 UVPWVKSQQGSUGU-UHFFFAOYSA-N 370.431 1.921 5 40 FDBB Cc1nn(CC(=O)Nc2ccccc2C(=O)NC2CC2)c(C)c1[N+](=O)[O-] 7391622 YLJQEELXVAKSJR-UHFFFAOYSA-N 357.370 1.939 5 40 FDBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(N)(=O)=O 29645141 DJUHAMNAAXWRFB-UHFFFAOYSA-N 351.340 1.503 5 40 FDBB CN1CCN(c2nc(NCCc3ccccc3)nc(N)c2[N+](=O)[O-])CC1 5048608 XMIPMYYBIRORHP-UHFFFAOYSA-N 357.418 1.373 5 40 FDBB COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N 8203507 OFEQZTBSDKHVFX-ZDUSSCGKSA-N 367.358 1.038 5 40 FDBB CCc1n[nH]c(-n2ccc3nc4ccn(CCOC)c(=O)c4cc3c2=O)n1 40399148 KOQHPXXZOZAQQO-UHFFFAOYSA-N 366.381 1.028 5 40 FDBB CS(=O)(=O)N1CCC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 58169080 NJAAJYPDOQXROK-LLVKDONJSA-N 350.400 1.979 5 40 FDBB O=C(NCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 53468491 YZWGPYDHNOWQHV-UHFFFAOYSA-N 360.414 1.550 5 40 FDBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C(N)=O)CC1 3346891 GQTQBXLHNRGWOT-SECBINFHSA-N 354.794 1.773 5 40 FDBB CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CN2CCC1CC2 601447047 FUGAFCXVSAZWIM-HNNXBMFYSA-N 353.444 1.872 5 40 FDBB CC1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n(C)c2=N)CC1 101435795 LCCOGIHLDDOMJF-UHFFFAOYSA-N 351.410 1.538 5 40 FDBB COc1ccccc1[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1nccn1C 12520613 UFCFJYJTHPKBSZ-CYBMUJFWSA-N 355.358 1.911 5 40 FDBB CCOC(=O)C1=C(COc2cc(F)ccc2[N+](=O)[O-])NC(=O)N[C@H]1C 5994340 RLOUAFDCJLXFGW-QMMMGPOBSA-N 353.306 1.631 5 40 FDBB COC(=O)CNC(=O)c1ccc(NC[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 72301747 FRDCIAZUFNVUDN-SMDDNHRTSA-N 351.359 1.071 5 40 FDBB CN([C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O)S(=O)(=O)c1ccccc1 225166457 OQJHJMSRBPVOQL-HNNXBMFYSA-N 364.379 1.911 5 40 FDBB CC(C)(C)OC(=O)[C@](C)(O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 95943745 UNSCAJUWVAYDOZ-OAHLLOKOSA-N 374.415 1.107 5 40 FDBB Nc1nc(NCCN2CCOCC2)nc(NC2CCCCC2)c1[N+](=O)[O-] 20329663 DUEIDCBRNXKOSL-UHFFFAOYSA-N 365.438 1.456 5 40 FDBB O=C(O)CN1C(=O)N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 408592614 MWQDDQHDAJKEEC-MDWZMJQESA-N 356.294 1.363 5 40 FDBB O=C(Nc1cccc([N+](=O)[O-])c1)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O 4033823 FZKXPPCSRJVESY-UHFFFAOYSA-N 370.296 1.825 5 40 FDBB COc1ccc(CNC(=O)c2nc(Cn3cc([N+](=O)[O-])cn3)no2)cc1 21451305 NSOHBPCWWKUQLM-UHFFFAOYSA-N 358.314 1.161 5 40 FDBB 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1.820 5 40 FDBB Nc1cc(N)nc(Sc2c(C(=O)O)cc([N+](=O)[O-])cc2[N+](=O)[O-])n1 16383301 HICVDTIACOTUBF-UHFFFAOYSA-N 352.288 1.307 5 40 FDBB O=c1[nH]c(/C=C\c2ccc(O)c(Br)c2)c([N+](=O)[O-])c(=O)[nH]1 30840436 UCKWOQZFDRKOMP-IWQZZHSRSA-N 354.116 1.610 5 40 FDBB C[C@@H]1CCc2c(sc(NC(=O)c3c([N+](=O)[O-])cnn3C)c2C(N)=O)C1 2744964 CMKLTUQPWOGRGS-SSDOTTSWSA-N 363.399 1.866 5 40 FDBB CCCNC(=O)CN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 25191376 UTXIJILJORAGKK-VOTSOKGWSA-N 360.414 1.278 5 40 FDBB O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(c2ncccn2)CC1 41452820 NHLVXEPXNHQGLN-UHFFFAOYSA-N 370.369 1.109 5 40 FDBB CC1=NN(C(=O)[C@@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)[C@](O)(C(F)F)C1 6526424 JVZYOBGTOUYTAU-JKYUHCHBSA-N 359.333 1.606 5 40 FDBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O 409106873 PSCINJNYLAXLPY-FSEMZKDTSA-N 352.324 1.898 5 40 FDBB NC(=O)CNC(=O)c1cccc(OCCOc2cccc([N+](=O)[O-])c2)c1 541123046 IXSDMOPATXFEFJ-UHFFFAOYSA-N 359.338 1.268 5 40 FDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O 260899807 PZYHWHSFNVMYJU-LLVKDONJSA-N 373.431 1.530 5 40 FDBB NC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 4914347 SFCLNONZDKPQLZ-XCVCLJGOSA-N 369.333 1.889 5 40 FDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)C1CC1 103627612 UPWOFBWKFUFBFT-PGMHBOJBSA-N 366.377 1.200 5 40 FDBB CCCS(=O)(=O)N1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 58203200 URMBXGKCHMTFQH-UHFFFAOYSA-N 369.443 1.458 5 40 FDBB Cc1ccc(N2C(=O)C[C@H](N3CCCC[C@H]3CCO)C2=O)cc1[N+](=O)[O-] 250927541 XGBDYBVRNXTPPD-BBRMVZONSA-N 361.398 1.772 5 40 FDBB CONC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 10127098 IJROWQIFYQRZGE-UHFFFAOYSA-N 365.367 1.995 5 40 FDBB CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 409103798 ZABNUYGBHHSNSQ-UHFFFAOYSA-N 363.395 1.995 5 40 FDBB O=C(O)CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 408590430 GUVYLIRCSGJADR-GHXNOFRVSA-N 357.278 1.832 5 40 FDBB O=c1oc2cc([N+](=O)[O-])ccc2n1CCS(=O)(=O)Oc1ccccc1 58191926 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CC(C)NC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 9762707 JLUQIBOBJLBFNT-QWRGUYRKSA-N 351.359 1.169 5 40 FDBB COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 32797236 FPTQSUNEXROODM-GHMZBOCLSA-N 350.375 1.128 5 40 FDBB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C2 84101448 NAGAFWXGMZERHU-GFCCVEGCSA-N 350.400 1.701 5 40 FDBB CNC(=O)c1ccc(N2CCN([C@H]3CCSC3)CC2)c([N+](=O)[O-])c1 79076570 CKEBKVXBINGYIN-ZDUSSCGKSA-N 350.444 1.582 5 40 FDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 102082727 QKOGNDPRIJAJBD-HGDXVPPDSA-N 367.361 1.586 5 40 FDBB Cn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc21 2374783 ZDLOZPHNCCMMRC-UHFFFAOYSA-N 366.402 1.498 5 40 FDBB CS(=O)(=O)N1CCC[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 216672392 SUUGYLFTXILFFZ-NSHDSACASA-N 352.372 1.784 5 40 FDBB CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 9483141 RUCPNNWCOQOMKP-HUUCEWRRSA-N 361.446 1.807 5 40 FDBB O=C1[C@H]2CCCCN2C(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19911474 RBPMCJHRNUABHO-MRXNPFEDSA-N 373.413 1.491 5 40 FDBB O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc([N+](=O)[O-])o1 38679794 YALPBXUQHNXPOF-RKDXNWHRSA-N 353.356 1.924 5 40 FDBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc([N+](=O)[O-])c2)cc1 224863496 MJPCVQCDYNRDMB-UHFFFAOYSA-N 366.351 1.883 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)C(=O)c2ccccc21 408583354 TYGLZYLSVGCTPR-UHFFFAOYSA-N 355.306 1.771 5 40 FDBB CCCn1nnc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 32119197 VINRVPYPZGFWKF-UHFFFAOYSA-N 365.375 1.127 5 40 FDBB Cc1ccc(C(=O)NCCCNC(=O)COc2ccc([N+](=O)[O-])cc2)cn1 7871576 WQKOVHACUDNCGB-UHFFFAOYSA-N 372.381 1.613 5 40 FDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 408623156 RBKVFPPDKBIDOV-PQTQVYOHSA-N 352.346 1.717 5 40 FDBB CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 36035421 NXFOVEOXNFXSPI-CQSZACIVSA-N 365.342 1.508 5 40 FDBB CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)NN=C2C[C@@]1(C)O 102753941 KONHVAPSKTWBQT-VWPFQQQWSA-N 361.354 1.114 5 40 FDBB Cc1ccc(-c2nnn(C[C@H](O)COc3cccc([N+](=O)[O-])c3)n2)cc1 25236658 BGPNQNHXMZYULA-HNNXBMFYSA-N 355.354 1.997 5 40 FDBB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 7020482 MBLZYRIIMCLODO-LLVKDONJSA-N 361.354 1.651 5 40 FDBB CSCC[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 41155321 YITUXOYQSKMYPA-LBPRGKRZSA-N 369.399 1.037 5 40 FDBB C[C@@H](Nc1ccc(S(=O)(=O)NCCC(=O)O)cc1[N+](=O)[O-])C1CC1 9322534 NCNISVXNWYQHTP-SECBINFHSA-N 357.388 1.558 5 40 FDBB Cn1c(=O)c2c(SCc3ccc([N+](=O)[O-])cc3)ccnc2n(C)c1=O 4942212 LKNLNBZVNWFSIX-UHFFFAOYSA-N 358.379 1.833 5 40 FDBB Cc1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(=O)n(-c2ccccc2)n1C 4686664 GCBZVZZVTOIVCP-UHFFFAOYSA-N 356.342 1.228 5 40 FDBB O=C(NCC1CC1)[C@@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 48279346 NKGXKYIEKISBCR-CYBMUJFWSA-N 374.397 1.698 5 40 FDBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])NC1CC1 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CNC(=O)c1c(NC(=O)Cn2ccc([N+](=O)[O-])n2)sc2c1CCCC2 998776 VDIUQNLYADIHJG-UHFFFAOYSA-N 363.399 1.730 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 45810870 AXIHBEAUCUUBBS-GFCCVEGCSA-N 374.440 1.243 5 40 FDBB CCOC(=O)N1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 4673506 GMVPLXHMNCQWKJ-UHFFFAOYSA-N 367.358 1.526 5 40 FDBB Cc1[nH]nc(C(=O)N[C@@H](Cc2ccccc2)Cc2c[nH]cn2)c1[N+](=O)[O-] 89522598 QOFUKGLPKARIRA-ZDUSSCGKSA-N 354.370 1.933 5 40 FDBB CSCC[C@@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O 226862580 FANUNPFBZNDQAU-SECBINFHSA-N 352.365 1.219 5 40 FDBB COc1cc([C@H](O)C(=O)c2nc3ccc([N+](=O)[O-])cc3nc2O)ccc1O 16957693 ABDBCTPFDMLPIC-HNNXBMFYSA-N 371.305 1.874 5 40 FDBB O=C(C1=NN[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1ccccc1 100165664 DLAIKQNQMALZCB-HIFRSBDPSA-N 364.317 1.295 5 40 FDBB C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F 6850929 VTEIIEFBQVFGFU-PWCHPLFNSA-N 367.259 1.235 5 40 FDBB CN[C@@H](c1ccc([N+](=O)[O-])cc1)c1nnnn1-c1ccccc1C(=O)OC 35170755 GTPKZGIQQQBFGF-HNNXBMFYSA-N 368.353 1.666 5 40 FDBB CC(C)[C@H](C)NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225224775 PSKFSYOAZDNWIP-NWDGAFQWSA-N 357.432 1.910 5 40 FDBB O=C(Nc1ccc2c(c1)OCCO2)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 2788266 RVPUQJKJGFKVNC-UHFFFAOYSA-N 370.325 1.517 5 40 FDBB CCC[C@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10326540 HLPWSAWWGAOXBQ-LBPRGKRZSA-N 357.432 1.974 5 40 FDBB Cc1ccc(CN(C)C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)c1 40050080 LPNBDDQIADXNIG-UHFFFAOYSA-N 372.381 1.131 5 40 FDBB O=C(C1=NN[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1ccccc1 100165660 DLAIKQNQMALZCB-UKRRQHHQSA-N 364.317 1.295 5 40 FDBB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 2206948 LDXFXAVJQXAOLA-CYBMUJFWSA-N 371.349 1.470 5 40 FDBB O=C(Cn1nnc(-c2ccccc2)n1)N1CCc2ccc([N+](=O)[O-])cc21 21385018 MOODSECZZVNSFD-UHFFFAOYSA-N 350.338 1.838 5 40 FDBB CC(=O)N1CCN(c2ccc(C(=O)NCc3ccco3)cc2[N+](=O)[O-])CC1 9117641 SJDICKNKYNVMOJ-UHFFFAOYSA-N 372.381 1.786 5 40 FDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCOc1ccccc1 7424594 IZPDOMJSOBXLLZ-UHFFFAOYSA-N 369.333 1.386 5 40 FDBB O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1)NC1CC1 9514938 JIBTUCSOOPWBRS-UHFFFAOYSA-N 373.321 1.876 5 40 FDBB NC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 33002158 CIUFAUBFICAVOO-UHFFFAOYSA-N 360.414 1.923 5 40 FDBB Cc1cc(C)c(CNC(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(=O)[nH]1 9154403 GJDYZGDCGMTSJE-UHFFFAOYSA-N 372.381 1.255 5 40 FDBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(C)c3nc12 100861088 AQGGLPMEVHJXIH-UHFFFAOYSA-N 373.416 1.904 5 40 FDBB CN(C)C(=O)[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 58198302 VEAJJTZFDYFBBZ-NSHDSACASA-N 368.821 1.987 5 40 FDBB OCCNC(=S)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 408994090 FPULFDAVXMIEJD-UHFFFAOYSA-N 356.407 1.833 5 40 FDBB O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccncc3)nn12 13524454 XFMSREGSSQUGAK-LCYFTJDESA-N 351.347 1.669 5 40 FDBB CSCC[C@@H](C(=O)O)n1c(=O)c2ccc3[nH]c(=O)c4ccc(c1=O)c2c34 11851859 WZPZPUUFOLIGIM-LBPRGKRZSA-N 370.386 1.611 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccco2)CC1 36008018 LPJBVMNSBGBCJZ-UHFFFAOYSA-N 351.384 1.694 5 40 FDBB C=COCCn1c(=O)n(CCOC=C)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21 59639117 FZSKDNKLFIIRAP-UHFFFAOYSA-N 364.314 1.940 5 40 FDBB O=C1[C@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 100184999 RBJOPGJGKFHFCD-JUFZMCDQSA-N 350.714 1.054 5 40 FDBB Cc1cccc(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] 29024980 ZMPYQCLFDNVDRX-UHFFFAOYSA-N 374.441 1.674 5 40 FDBB Cc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)c([N+](=O)[O-])cc1C 408917777 AZQMNTKZYWLALG-ZZCKCESHSA-N 358.350 1.407 5 40 FDBB O=C(c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c[nH]1)N1CCCC1 29434885 BGCGGKCDXZYYTC-UHFFFAOYSA-N 364.383 1.960 5 40 FDBB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 58322741 ZQQAIDBWVYJLFW-CYBMUJFWSA-N 373.369 1.591 5 40 FDBB CC(C)(C)OC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6507278 SATSZZPKUVPCMN-UHFFFAOYSA-N 366.370 1.930 5 40 FDBB CN(C)CCN[C@H](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O 22997070 PBGSRYLEPTXKOZ-LLVKDONJSA-N 358.782 1.181 5 40 FDBB CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 19005564 YMQCAEZUUDOKRY-UHFFFAOYSA-N 365.367 1.893 5 40 FDBB NC(=O)CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2 2720082 WXYOXLJPZUHTAY-UHFFFAOYSA-N 364.408 1.366 5 40 FDBB Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 24981577 HXFCYZKMVUFGPG-UHFFFAOYSA-N 365.367 1.698 5 40 FDBB Cc1sc(C(N)=O)cc1S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] 95466041 YBMMWXFRWQHEEU-UHFFFAOYSA-N 360.344 1.970 5 40 FDBB CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCCOC)c1=N 100627983 YIKUKEJNEGMLEU-UHFFFAOYSA-N 369.425 1.223 5 40 FDBB COCCN1C(=O)[C@@H](N2CCSC2=O)[C@H]1c1ccc([N+](=O)[O-])cc1 58111219 KEDLOKLGFZHPDU-OLZOCXBDSA-N 351.384 1.662 5 40 FDBB O=C(NCCc1ccccn1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9368483 LSIHWNLYBHKXOO-UHFFFAOYSA-N 356.382 1.799 5 40 FDBB Cn1nnnc1Sc1ccc(C(=O)NCc2cccnc2)cc1[N+](=O)[O-] 9442031 MORNOXKJBPOWIA-UHFFFAOYSA-N 371.382 1.595 5 40 FDBB Cn1cnc([N+](=O)[O-])c1N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 75107059 VFUUEMMSGAEQNJ-UHFFFAOYSA-N 363.422 1.721 5 40 FDBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O 409064131 BUAHIXGQVVCPAA-PKTIUJEHSA-N 352.324 1.898 5 40 FDBB Nc1nccc(C(=O)Nc2c[nH]cc(Br)c2=O)c1[N+](=O)[O-] 548417148 DRTCJYWOVZVOBE-UHFFFAOYSA-N 354.120 1.275 5 40 FDBB C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@H](C)C3)n2)C[C@@H](C)O1 102750823 JLOPEXXOVOGYRH-DDHJBXDOSA-N 366.422 1.194 5 40 FDBB O=C(CNC(=O)c1ccccc1)NCC(=O)OCc1cccc([N+](=O)[O-])c1 6595082 GAWYRFGNQOTSCM-UHFFFAOYSA-N 371.349 1.184 5 40 FDBB CS(=O)(=O)N1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 56475178 WQQTTWDQWHVZCF-UHFFFAOYSA-N 366.399 1.184 5 40 FDBB CCOC(=O)[C@H]1C(=O)N=C(N2CCCCC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 10339370 NOPCDKGUEFMTMQ-CABCVRRESA-N 374.397 1.787 5 40 FDBB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12 408975808 NUQDFFBFRIQUAQ-VZAMPYOESA-N 364.741 1.444 5 40 FDBB O=C(Nc1ccccc1C(=O)Nn1cnnc1)c1ccc([N+](=O)[O-])cc1 14405990 DVVDFFVUNXJYAM-UHFFFAOYSA-N 352.310 1.823 5 40 FDBB COc1ccc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 19994465 KALDMMHJEIAEOS-UHFFFAOYSA-N 356.382 1.890 5 40 FDBB Cc1ccc(S(=O)(=O)NCc2nnc(C)n2C2CC2)cc1[N+](=O)[O-] 95941926 YCIONSHVSUYBAB-UHFFFAOYSA-N 351.388 1.617 5 40 FDBB CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3cccc([N+](=O)[O-])c3)cnc21 4166249 GFTOUENEZHDALN-UHFFFAOYSA-N 370.369 1.895 5 40 FDBB Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(C)c2=N)cc1 100869806 JPTKAAQORDZATR-UHFFFAOYSA-N 373.416 1.904 5 40 FDBB O=C(O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O 409132328 ZLBRMFVNGFETDG-KRXBUXKQSA-N 369.267 1.330 5 40 FDBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc(=O)c3c([nH]2)CCC3)n1 9660410 CCFFUMDHGZZULP-UHFFFAOYSA-N 370.325 1.506 5 40 FDBB CCS[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4826227 ITLKWOMIUSUUOR-UMSGYPCISA-N 359.360 1.115 5 40 FDBB CN[C@H](c1ccc([N+](=O)[O-])cc1)c1nnnn1-c1ccccc1C(=O)OC 35170756 GTPKZGIQQQBFGF-OAHLLOKOSA-N 368.353 1.666 5 40 FDBB CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N(C)C1=S 6672295 NEZTXEOSLMEIPR-CYBMUJFWSA-N 374.422 1.321 5 40 FDBB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 9365846 UIRKMTKHMJLLJG-OAHLLOKOSA-N 372.381 1.535 5 40 FDBB O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)c1 223736014 SHFGQTQALHKZKF-UHFFFAOYSA-N 350.352 1.845 5 40 FDBB CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCN(C)C 8878938 LIZUXWLRQJQLDH-AWEZNQCLSA-N 370.837 1.680 5 40 FDBB CCCN1C(=O)N/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 409233664 HCHLHOZTCMVCED-KAMYIIQDSA-N 360.370 1.734 5 40 FDBB COc1cccc(CNC(=O)c2nc(Cn3ccc([N+](=O)[O-])n3)no2)c1 12371572 RYPBHFHVTQTBLM-UHFFFAOYSA-N 358.314 1.161 5 40 FDBB COCCN([C@@H]1CCSC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 55239040 ICQJBFRYCJHFTP-LLVKDONJSA-N 364.420 1.877 5 40 FDBB Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(N3CCN(C)CC3)n2)cc1 5049768 MMPYFODUTHEABB-UHFFFAOYSA-N 357.418 1.639 5 40 FDBB Cc1ccc(NC(=O)CN(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)c([N+](=O)[O-])c1 72308713 QUTHTLKZZOOSHO-ZFWWWQNUSA-N 369.443 1.739 5 40 FDBB COCCCN[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)O 39880733 GHYRKXRRDAUHOO-GFCCVEGCSA-N 359.766 1.656 5 40 FDBB COC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 5354368 RYXJBUSKJMCAQT-UHFFFAOYSA-N 350.352 1.963 5 40 FDBB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc([N+](=O)[O-])cc1 168714275 AGTXHHZRNMTLHL-WCBJTDJXSA-N 353.334 1.293 5 40 FDBB Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)Nc1cc(O)cc([N+](=O)[O-])c1 100520444 YEXSPXSVJDWHMQ-UHFFFAOYSA-N 366.246 1.260 5 40 FDBB CCS[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4826231 ITLKWOMIUSUUOR-RVMXOQNASA-N 359.360 1.115 5 40 FDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 101014706 QLVMXYZTUVQCPF-WQXBFISLSA-N 367.361 1.586 5 40 FDBB CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 4140053 XBVCVPXLNAHNST-ZDUSSCGKSA-N 367.427 1.454 5 40 FDBB CCOC(=O)c1c(SC)nn(C(=O)c2ccc([N+](=O)[O-])cc2)c1N 3851886 SVONNJMSRPTBKC-UHFFFAOYSA-N 350.356 1.961 5 40 FDBB biogenic COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)C(=O)c2ccccc21 14137287 ITUCHBSIPHZZEF-UHFFFAOYSA-N 355.306 1.771 5 40 FDBB CNC(=O)c1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 15560600 TVFXZZQNRCGXSV-UHFFFAOYSA-N 357.322 1.993 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1nnnn1C1CCCCC1 10594673 XWVSXSBUUMFLJG-UHFFFAOYSA-N 366.403 1.565 5 40 FDBB CNS(=O)(=O)c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 29890009 HTSXHSQLHPFPKS-UHFFFAOYSA-N 361.379 1.706 5 40 FDBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(OC)c1 24438992 NNSDTLXKWLVVNT-UHFFFAOYSA-N 360.370 1.987 5 40 FDBB CNS(=O)(=O)c1ccc(NC[C@H](CO)Cc2ccco2)c([N+](=O)[O-])c1 12753920 HYEODUZAFJXZFV-LLVKDONJSA-N 369.399 1.359 5 40 FDBB Cc1ccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)cc1[N+](=O)[O-] 25250374 RTBAYNBZKWMRBM-UHFFFAOYSA-N 355.310 1.091 5 40 FDBB C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1 17016658 ZLLQOFBTQIIREK-ZANVPECISA-N 358.354 1.108 5 40 FDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1 32469426 VUKZUITUVFCYJL-NSHDSACASA-N 356.400 1.793 5 40 FDBB CCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 4714194 MTYKIJCVHMXSNB-UHFFFAOYSA-N 363.395 1.926 5 40 FDBB Cc1c(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cccc1[N+](=O)[O-] 10334780 VLFMQUKMAJKFOU-UHFFFAOYSA-N 370.431 1.360 5 40 FDBB C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(NC[C@H]3CCCO3)n2)C[C@@H](C)O1 13511831 CTUJBHUZLYGBHD-OUAUKWLOSA-N 352.395 1.172 5 40 FDBB Cc1nn(Cc2c(C(=O)NCCn3cccn3)noc2C)c(C)c1[N+](=O)[O-] 17076412 OFMWCQCFGNNZEY-UHFFFAOYSA-N 373.373 1.379 5 40 FDBB O=C(CSc1nnnn1-c1ccccc1)Nc1nc([N+](=O)[O-])cs1 585655852 BOIXQOBBKMNRGZ-UHFFFAOYSA-N 363.384 1.758 5 40 FDBB O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1nnnn1-c1ccc(F)c(F)c1 9570927 TWDWIMNTWBNESP-UHFFFAOYSA-N 374.307 1.708 5 40 FDBB O=C(NCCCN1CCOCC1)c1ccc2nc3ccccc3c(=O)n2c1 57477769 JZLQZKMYOCKONV-UHFFFAOYSA-N 366.421 1.300 5 40 FDBB COC(=O)c1c(C)[nH]c(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C 36329754 VAUNDKKSYFXWIP-ZDUSSCGKSA-N 361.354 1.790 5 40 FDBB CC1CCN(S(=O)(=O)c2ccc(NCCCO)c([N+](=O)[O-])c2)CC1 7813624 MSVYWDMBGMHVPS-UHFFFAOYSA-N 357.432 1.810 5 40 FDBB COC(=O)CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 224622037 DYAUORIPHUWSSX-UHFFFAOYSA-N 354.369 1.964 5 40 FDBB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCCN1CCOCC1 33617352 GZLJNYUZQBLKSQ-UHFFFAOYSA-N 363.823 1.249 5 40 FDBB CCCCNC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 3320010 UZHHSXDHNMFQAK-UHFFFAOYSA-N 371.777 1.438 5 40 FDBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N[C@H]1c1cccc([N+](=O)[O-])c1 14162913 RFGMMIIJMZSGAZ-GJZGRUSLSA-N 374.397 1.787 5 40 FDBB COC(=O)C(C)(C)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 23152649 BEDLDOMWASFCDN-UHFFFAOYSA-N 351.359 1.113 5 40 FDBB CCOC(=O)c1cnn(C)c1NC(=O)CCn1ncc([N+](=O)[O-])c1C 2805213 PNXOZCIBPCIPQE-UHFFFAOYSA-N 350.335 1.039 5 40 FDBB COc1ccc(NC(=O)CN2CC(=O)Oc3ccccc32)c([N+](=O)[O-])c1 4193800 MKHPKPLTRXTJPQ-UHFFFAOYSA-N 357.322 1.968 5 40 FDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC(CO)C1 96011427 NEHGKPXCPWNEJU-UHFFFAOYSA-N 355.416 1.198 5 40 FDBB COc1nc(O)c2c(n1)NC(=O)[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 1548338356 QORJLNATUKCVNG-MRVPVSSYSA-N 373.325 1.239 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN(c3cncc(-n4cccn4)n3)CC2)cn1 40153589 LMCLZPKVFJLGLL-UHFFFAOYSA-N 352.358 1.292 5 40 FDBB CCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 28276623 TWTGKHUCSZPTCN-AWEZNQCLSA-N 355.416 1.664 5 40 FDBB NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 6863272 UNGRGKLCXJIQTD-UHFFFAOYSA-N 369.786 1.826 5 40 FDBB O=C(CSc1ccccc1[N+](=O)[O-])N1CCN(c2ncccn2)CC1 12698713 PQFDFIDVYWBBQP-UHFFFAOYSA-N 359.411 1.826 5 40 FDBB CC(=O)N[C@@H](CS[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2)C(=O)O 2667966 MXLWGGRCQUQVFM-GWCFXTLKSA-N 356.356 1.056 5 40 FDBB CCOC(=O)N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 30851901 HMGJGCSRNOSNEZ-UHFFFAOYSA-N 357.388 1.199 5 40 FDBB CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2nc1NC[C@@H]1CCCO1 20051711 PZZMVYWVHKUTBH-LBPRGKRZSA-N 367.409 1.502 5 40 FDBB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 9365847 UIRKMTKHMJLLJG-HNNXBMFYSA-N 372.381 1.535 5 40 FDBB CNS(=O)(=O)c1ccc(NCCCNc2ncccn2)c([N+](=O)[O-])c1 40151395 LQWRSDPYCVGOBJ-UHFFFAOYSA-N 366.403 1.207 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10330903 UIHBZWDIQXVIFF-UHFFFAOYSA-N 370.431 1.360 5 40 FDBB CSc1nnc(C)c(=O)n1COC(=O)c1ccc(C)c([N+](=O)[O-])c1 4495797 OQKMYJCRHKOWGO-UHFFFAOYSA-N 350.356 1.700 5 40 FDBB CCn1c(=O)c([N+](=O)[O-])c(N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 5577182 RYVRQDYRFDUDSS-SNVBAGLBSA-N 351.384 1.529 5 40 FDBB Cc1nn(CC(=O)NC[C@H](c2ccsc2)N(C)C)c(C)c1[N+](=O)[O-] 25329259 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FDBB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 48340923 YKHRUNVFDKQGMF-LBPRGKRZSA-N 373.369 1.050 5 40 FDBB CCOC(=O)N1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 20806477 KQSIRLZTAQUYGC-AWEZNQCLSA-N 353.375 1.109 5 40 FDBB CCN(CC(=O)NCc1ccc(F)cc1)c1ccc(C(N)=O)cc1[N+](=O)[O-] 5638032 XPHOLAWIKJXIHO-UHFFFAOYSA-N 374.372 1.976 5 40 FDBB COc1cc(CCNC(=O)[C@H](NC(C)=O)C(C)C)c([N+](=O)[O-])cc1OC 12697209 PMFOZFSLYZZCAM-MRXNPFEDSA-N 367.402 1.431 5 40 FDBB O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2ccc(F)cc2)c1 26540653 GFJFZABCSGUHST-UHFFFAOYSA-N 355.347 1.939 5 40 FDBB CCOC(=O)C(Cc1cc([N+](=O)[O-])ccc1C)(NC(C)=O)C(=O)OCC 95868112 XZYFXIARMJFOGN-UHFFFAOYSA-N 366.370 1.447 5 40 FDBB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 24727115 DPNODKOTJOVNAE-LBPRGKRZSA-N 361.358 1.493 5 40 FDBB COc1ccc(-c2n[nH]cc2/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1 12370957 CEIVTHFFFBNUOC-QPJJXVBHSA-N 355.310 1.953 5 40 FDBB C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nn1c(S)nc2ccccc2c1=O 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O=C(CN1C(=O)CCC1=O)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 9368122 ALMRDDGWWFAXEK-UHFFFAOYSA-N 366.380 1.867 5 40 FDBB CC(C)CCNc1ccc(S(=O)(=O)NCCC(=O)O)cc1[N+](=O)[O-] 9338763 CXGNJVNAPPXTSX-UHFFFAOYSA-N 359.404 1.806 5 40 FDBB CCN1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3N=CC=C[C@@H]3[C@@H]2C1=O 100690636 BZWTZGOVCSUDMR-BARDWOONSA-N 368.349 1.007 5 40 FDBB O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2[nH]ccc2c1 92518755 PGQUMXAYGPYUMW-DLBZAZTESA-N 355.350 1.900 5 40 FDBB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c([N+](=O)[O-])c1 408710685 VIXNYNJZNTXEME-KUDNYVPYSA-N 355.350 1.649 5 40 FDBB CCOC(=O)C1=C(COC(=O)c2c(C)cccc2[N+](=O)[O-])NC(=O)NC1 9514219 UGJUOPZUZSIEHW-UHFFFAOYSA-N 363.326 1.190 5 40 FDBB CCNC(=O)CN(C)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 40148970 SAPQPOWNBCHXIV-UHFFFAOYSA-N 361.301 1.413 5 40 FDBB COC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 3152048 CMYFKULYHYYLQP-CYBMUJFWSA-N 364.379 1.657 5 40 FDBB CCNc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1[N+](=O)[O-] 23408903 OVCMPQVTMQRHBC-UHFFFAOYSA-N 350.419 1.867 5 40 FDBB CCOC(=O)C1=C2C(=O)OCCN2C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 58420707 GEHMDZDNOWHMIS-LBPRGKRZSA-N 361.310 1.035 5 40 FDBB CS(=O)(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 24777113 JXVNPFQNLYNRCK-UHFFFAOYSA-N 361.807 1.356 5 40 FDBB Cn1ncc2c(=O)n(CCC(=O)OCc3ccc([N+](=O)[O-])cc3)cnc21 10654460 ZYMMAIDUJHWSKU-UHFFFAOYSA-N 357.326 1.172 5 40 FDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccc([N+](=O)[O-])c1 3602374 REAYIGPMCXDEJF-UHFFFAOYSA-N 370.277 1.738 5 40 FDBB COCCOc1cc(Cn2cc(C(=O)OC)cc([N+](=O)[O-])c2=O)ccn1 96008302 ISILMRZMEACOND-UHFFFAOYSA-N 363.326 1.012 5 40 FDBB COC(=O)c1cc(C(=O)O[C@H](C)C(=O)N2CCCC2)cc([N+](=O)[O-])c1 5702378 XJRSBJKVVYQXMH-SNVBAGLBSA-N 350.327 1.549 5 40 FDBB O=C(C1=NO[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12)c1ccccc1 100355498 JWJIDCDPKNBZNN-CJNGLKHVSA-N 365.301 1.722 5 40 FDBB CC[C@@H](C)NC(=O)CN1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 12942796 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1.878 5 40 FDBB CC[C@@H](CO)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 12522555 SFMMUOGDEQMIBA-LBPRGKRZSA-N 357.432 1.952 5 40 FDBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 409046299 JXGRTCDYWQPXMR-XJIUQZFPSA-N 358.306 1.353 5 40 FDBB COc1ccc(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 15357845 HRMNJHNEKNXFND-UHFFFAOYSA-N 352.368 1.961 5 40 FDBB Nc1ncnn1-c1nc([N+](=O)[O-])nn1C(c1ccccc1)c1ccccc1 95116164 XDMRMICWRQKOIS-UHFFFAOYSA-N 362.353 1.987 5 40 FDBB Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1[N+](=O)[O-] 58131286 ZGTFWPTXZCVBBJ-HNNXBMFYSA-N 361.379 1.509 5 40 FDBB CCc1ccc(C2N3CC4([N+](=O)[O-])CN2CC([N+](=O)[O-])(C3)C4(C)C)cc1 19326945 UNMNJGPKLLQNHB-UHFFFAOYSA-N 360.414 1.950 5 40 FDBB aggregator CCN1CCN(c2nc(NCc3ccccc3)nc(N)c2[N+](=O)[O-])CC1 4305991 XDRSLNWBLRZPTQ-UHFFFAOYSA-N 357.418 1.721 5 40 FDBB O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccc(F)c([N+](=O)[O-])c1 3391066 GSSJQCJGNQKDBR-UHFFFAOYSA-N 353.335 1.684 5 40 FDBB Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CN3CCC2CC3)c1 601445293 AZCYEWQFOVEVPT-HNNXBMFYSA-N 353.444 1.926 5 40 FDBB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 24686279 FTWPIGYSJNVCMN-CYBMUJFWSA-N 355.416 1.501 5 40 FDBB COC(=O)c1cc(C(=O)Nc2ncc(C(=O)OC)s2)cc([N+](=O)[O-])c1 12940411 MJWJSWWFXBDTIF-UHFFFAOYSA-N 365.323 1.877 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 84579231 YIRXQGACKIJAME-LLVKDONJSA-N 368.392 1.402 5 40 FDBB COCCN1C[C@@]2(F)CN(Cc3ccc([N+](=O)[O-])c(O)c3)C[C@@]2(F)C1=O 306132368 LGSDCKZYCKHREI-JKSUJKDBSA-N 371.340 1.021 5 40 FDBB CCN(CC)C(=O)CN(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 32716062 HGTCVMUAUNNLIE-UHFFFAOYSA-N 360.374 1.116 5 40 FDBB O=C(N[C@H](CO)C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 5603330 QHQIGLCKFLRBTI-MRXNPFEDSA-N 374.349 1.925 5 40 FDBB CCN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 21921949 RXIDZXQOONRYTK-UHFFFAOYSA-N 364.402 1.088 5 40 FDBB C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@H](C)C3)n2)C1 13286798 CTWAXLQFRBYOMA-SDDRHHMPSA-N 350.423 1.817 5 40 FDBB O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CCN1C(=O)c2ccccc2C1=O 6927972 PJLUVXYFPKRJFF-AWEZNQCLSA-N 367.317 1.981 5 40 FDBB O=C(COC(=O)COc1ccc([N+](=O)[O-])cc1)NC(=O)NC1CCCC1 9607293 GJHISSDIRLSFJP-UHFFFAOYSA-N 365.342 1.285 5 40 FDBB CCCCN1C(=O)C(=O)N(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)C1=O 24655216 LXEFHHHIKOFGKF-NSHDSACASA-N 360.370 1.894 5 40 FDBB CC(C)OCCCn1c(=N)c(C(N)=S)cc2c(=O)n3ccccc3nc21 101032339 ZHHNDCFWWIFWGV-UHFFFAOYSA-N 371.466 1.578 5 40 FDBB CC(=O)C(=O)/N=c1\ccc2nc3ccc(NC(=O)C(C)=O)cc3oc-2c1 4659166 XGMONFJZEAXYDH-UDWIEESQSA-N 351.318 1.476 5 40 FDBB C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NCc1ccco1 24884145 PUFBDITYYFPPGE-SECBINFHSA-N 362.294 1.778 5 40 FDBB C[C@@H]([C@@H](c1ccccc1)[C@@H]1CC[C@@](C(N)=O)(N2CCOCC2)C1)[N+](=O)[O-] 34807048 XHPZVUCNLRFGTA-LKCYJCQHSA-N 361.442 1.792 5 40 FDBB CC(=O)N[C@H](CS[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2)C(=O)O 2667967 MXLWGGRCQUQVFM-MFKMUULPSA-N 356.356 1.056 5 40 FDBB O=C1NC2(CCCC2)C(=O)N1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 54516134 JICBPBCOJOTFLL-UHFFFAOYSA-N 373.413 1.539 5 40 FDBB CCN(CC)S(=O)(=O)c1ccc(-n2nc(C)cc2N)c([N+](=O)[O-])c1 5603045 KJKAYYQTLVVSQD-UHFFFAOYSA-N 353.404 1.702 5 40 FDBB O=C(CCCn1cnc2ccc([N+](=O)[O-])cc2c1=O)NCc1ccccn1 96223723 XKAHNWGLTSJGFB-UHFFFAOYSA-N 367.365 1.796 5 40 FDBB O=C1C[C@@H]2OC=C3CN4CC[C@@]56c7cc([N+](=O)[O-])ccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]46 101958331 SWMNDZUNHXZQLU-ZTWCQHNRSA-N 365.389 1.958 5 40 FDBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 58426304 OOQQZEPIHPPALW-KBPBESRZSA-N 360.366 1.544 5 40 FDBB C/C=C1\C[N@+]2(C)[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H](O)[C@]4(C[C@@H]12)c1ccccc1N[C@H]34 252460271 CZPDTQCCDJQAJE-OHTFTKQXSA-N 367.469 1.820 5 40 FDBB biogenic O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 102590003 QKOGNDPRIJAJBD-JDEPPNLYSA-N 367.361 1.586 5 40 FDBB Cc1nn(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-] 5346669 ILMJRUGVEAWUSL-ZDUSSCGKSA-N 372.447 1.080 5 40 FDBB COc1ccc(CN2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)cc1 16498606 WSIGSWGCUNNMBB-UHFFFAOYSA-N 372.381 1.250 5 40 FDBB Cc1c(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)cccc1[N+](=O)[O-] 223299516 KBYALMZMZDCQBA-UHFFFAOYSA-N 365.367 1.568 5 40 FDBB C[N+]1(CC2CC2)[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]21 100491419 QVVOZYKELHAIPX-BOELZDHSSA-N 358.458 1.843 5 40 FDBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(C)C2=O 8971143 WREGGTFMZQUSLS-GUYCJALGSA-N 360.370 1.450 5 40 FDBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccc2c(c1)OCO2 3421483 ZTFMVUMFNRYNDW-UHFFFAOYSA-N 368.305 1.672 5 40 FDBB COC(=O)COc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 24957434 DKAKFVYEKSSRGC-UHFFFAOYSA-N 366.351 1.947 5 40 FDBB O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc([N+](=O)[O-])cc1 40080637 NFXVJLGEJPQHPB-UHFFFAOYSA-N 354.322 1.899 5 40 FDBB Cc1nnc2sc(SCC(=O)c3ccc([N+](=O)[O-])cc3)nn2c1=O 15882028 BEHVMWNUTQSINF-UHFFFAOYSA-N 363.380 1.738 5 40 FDBB COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)N2CCCC2)cc([N+](=O)[O-])c1 5702375 XJRSBJKVVYQXMH-JTQLQIEISA-N 350.327 1.549 5 40 FDBB CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 15443620 YYJQEZKEFSITKC-UHFFFAOYSA-N 356.400 1.778 5 40 FDBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)N[C@H]1CCS(=O)(=O)C1 32777328 AEDQTRLTEIKOLU-QMMMGPOBSA-N 371.396 1.131 5 40 FDBB O=c1c2cnc(N3CCOCC3)nc2ccn1-c1cccc([N+](=O)[O-])c1 19974158 KRPOGUUMEJFVGS-UHFFFAOYSA-N 353.338 1.526 5 40 FDBB CC(C)(C)OC(=O)[C@@](C)(O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 95943746 UNSCAJUWVAYDOZ-HNNXBMFYSA-N 374.415 1.107 5 40 FDBB CS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96519718 AONGJHJJDSRGLD-IUCAKERBSA-N 358.597 1.960 5 40 FDBB Cn1cnnc1[C@H]1CCCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 31653280 NDPHKNUEQBXGTP-NSHDSACASA-N 355.358 1.115 5 40 FDBB NS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2COc3ccccc3C2)s1 78809060 OSBDGVDVHTYCJX-SECBINFHSA-N 369.424 1.967 5 40 FDBB O=C(N[C@]1(C(F)(F)F)N=C2SCCN2C1=O)c1cccc([N+](=O)[O-])c1 1874511 INHJPMKFBZHRAK-LBPRGKRZSA-N 374.300 1.528 5 40 FDBB O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 29162974 HXILSMARIHNOLF-UHFFFAOYSA-N 365.367 1.803 5 40 FDBB Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccnc1 9707787 VYGIYPNOGGIBSR-UHFFFAOYSA-N 371.382 1.693 5 40 FDBB COc1ccc(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 103573420 YMLWYIJFKFJQDM-HOCLYGCPSA-N 367.317 1.896 5 40 FDBB COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CCOC1=O)[N+](C)(C)CC3)OCO2 4064724 CNYFEQJRLXZDJW-STQMWFEESA-N 362.402 1.620 5 40 FDBB biogenic COCCOc1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cn1 95466398 IMLVPMZBKJBYLQ-UHFFFAOYSA-N 367.383 1.957 5 40 FDBB O=C(NC[C@H]1CCCO1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 409051988 FPIOSDNUWFSTFA-MRXNPFEDSA-N 361.398 1.742 5 40 FDBB CC(=O)C(C(C)=O)[C@@H](C1=C(C)[C@@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1 100702866 PHJVQJFVPDXAEK-HOCLYGCPSA-N 365.407 1.912 5 40 FDBB CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2cccnc2[N+](=O)[O-])CC1 12606832 OCYVGWNLSWGMRQ-LLVKDONJSA-N 351.359 1.559 5 40 FDBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCCO)cc1 48286088 YGJNZTRQLRWJFM-UHFFFAOYSA-N 356.331 1.906 5 40 FDBB C[C@@H]1CCCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)C1 13668553 YYRHXJCVSRVUKU-GFCCVEGCSA-N 355.416 1.619 5 40 FDBB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 19931872 ORIHPWGRMMAFJP-LLVKDONJSA-N 356.404 1.052 5 40 FDBB NS(=O)(=O)c1ccc(Nc2ccc(N3CCCC3)nc2)c([N+](=O)[O-])c1 12509093 UECPCZZETCOAFJ-UHFFFAOYSA-N 363.399 1.981 5 40 FDBB C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@@H]2C1 4623723 ZXGOGWPONWULQX-FWVNDXEPSA-N 372.381 1.450 5 40 FDBB C[C@H](OC(=O)CN1CCCCCC1=O)C(=O)Nc1ccccc1[N+](=O)[O-] 5539932 DJDCUFVMOYGWTQ-LBPRGKRZSA-N 363.370 1.868 5 40 FDBB CCCN(C(=O)COc1ccc(C)nc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 12527038 BFDNURLEWWAUKG-LBPRGKRZSA-N 371.415 1.103 5 40 FDBB COc1ccc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 12740427 PLPLLXGPTGTMQF-UHFFFAOYSA-N 372.403 1.149 5 40 FDBB COc1ccc(C(=O)NC(=O)COc2ccc(OC)cc2[N+](=O)[O-])cc1 12934992 XDBZPJBAEDWGIM-UHFFFAOYSA-N 360.322 1.947 5 40 FDBB COCCn1ccc2nc3ccn(CCCN(C)C)c(=O)c3cc2c1=O 38829053 NYQSEXREILOIQQ-UHFFFAOYSA-N 356.426 1.310 5 40 FDBB C[N@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@]3(O)[C@H]1C5 252286780 JVLBPIPGETUEET-MSOXQGRFSA-O 356.442 1.670 5 40 FDBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC)nc1 32901061 JWQGYGQTNZFTMU-UHFFFAOYSA-N 360.370 1.987 5 40 FDBB C[C@@H](C(=O)Nc1ncccn1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 58150384 YAHPRUBVPJUHCJ-ZDUSSCGKSA-N 356.386 1.534 5 40 FDBB NC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)c1ccccc1 11670265 XBYBQBXKVXZWLH-OAHLLOKOSA-N 359.338 1.382 5 40 FDBB O=C(COc1ccccc1[N+](=O)[O-])NCCCNC(=O)c1cccs1 8402595 LJNZEPAIHNTIPW-UHFFFAOYSA-N 363.395 1.971 5 40 FDBB CC(C)[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C(=O)N1CCOCC1 79109210 YESSYBHQBFWUCM-JTQLQIEISA-N 353.404 1.599 5 40 FDBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCS(=O)(=O)C1 12527950 FOKBCQFEDNXMRY-CYBMUJFWSA-N 370.430 1.458 5 40 FDBB O=C(CCN1CCN(c2ncccn2)CC1)Nc1cccc([N+](=O)[O-])c1 26219034 DSOIASIEFDJDKO-UHFFFAOYSA-N 356.386 1.536 5 40 FDBB Cc1nn(CC(=O)Nc2nc3c(s2)CN(C)CC3)c(C)c1[N+](=O)[O-] 24152197 GDOKNZUDFSMIPA-UHFFFAOYSA-N 350.404 1.491 5 40 FDBB C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 12928284 KZXUNHLPUSXQGF-HNNXBMFYSA-N 370.409 1.662 5 40 FDBB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1cccc([N+](=O)[O-])c1 4941390 HRRNZETVEKFOBU-CQSZACIVSA-N 363.370 1.725 5 40 FDBB O=C(NCCCn1ccnc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 20650918 VDAKKXUPZYJYNS-CQSZACIVSA-N 358.402 1.609 5 40 FDBB O=C(O)c1cc([N+](=O)[O-])ccc1NC[C@H]([C@H]1CCOC1)N1CCOCC1 25044555 IWSSAJQYBBBPHF-BLLLJJGKSA-N 365.386 1.442 5 40 FDBB Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cccc1[N+](=O)[O-] 20105804 KJWAVNVBEZTKQV-GFCCVEGCSA-N 370.431 1.360 5 40 FDBB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1Cl 31712499 MYTNJQBXEYNNJX-UHFFFAOYSA-N 359.729 1.992 5 40 FDBB COC(=O)c1ccccc1S(=O)(=O)NNc1ccc([N+](=O)[O-])cn1 20031446 SGLIZBZZCODPIG-UHFFFAOYSA-N 352.328 1.082 5 40 FDBB COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 41672104 HXCPXIDVLJTXMW-NSHDSACASA-N 371.415 1.005 5 40 FDBB Cc1[nH]nc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c1[N+](=O)[O-] 78752464 JGCMJVHMXWSUJN-LLVKDONJSA-N 355.358 1.689 5 40 FDBB O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1)c1ccco1 4976744 MNBQGSOZEDXOEE-QINSGFPZSA-N 371.349 1.818 5 40 FDBB O=C1C[C@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1 4571439 IZXRZXZPSWUUIY-LBPRGKRZSA-N 372.303 1.151 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C1=O 409286345 PTLFTSKVWDDFET-ZUMXRPEOSA-N 372.333 1.089 5 40 FDBB O=C(O)CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 575422838 WRISEMDFWVFXCJ-AWEZNQCLSA-N 356.400 1.449 5 40 FDBB Cn1cnc([N+](=O)[O-])c1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 70791715 CXJOJDFFEIRXKO-UHFFFAOYSA-N 362.365 1.228 5 40 FDBB CCN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1=O 408533820 QVGUHINBZUDOGZ-SDQBBNPISA-N 362.367 1.841 5 40 FDBB CS(=O)(=O)N1CCC(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 216670890 QQSDPHUJJGCFRL-UHFFFAOYSA-N 352.372 1.784 5 40 FDBB Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(Sc3ccc(N)cc3)cc21 20059024 VDMZMGOVOWPDSX-UHFFFAOYSA-N 358.379 1.879 5 40 FDBB O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NCc2nnc(-c3ccccc3)o2)cc1 32819302 PGNBGWQWTROCGD-DOTOQJQBSA-N 370.365 1.829 5 40 FDBB Cn1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])cc(Cl)c2O)n1 2096248 BCWYVFVVZGYTRP-UHFFFAOYSA-N 355.763 1.814 5 40 FDBB CCc1ccccc1NC(=O)CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 8517603 PROPJZJJIWYUSD-UHFFFAOYSA-N 359.386 1.725 5 40 FDBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O 409102890 UNFAERXVHACJQV-KEXZDQNZSA-N 352.324 1.898 5 40 FDBB O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 36047063 CXWYULPZGNRRIJ-IWDIQUIJSA-N 365.139 1.800 5 40 FDBB C[N@+]12CCCC[C@@H]1[C@H](COC(=O)CCN1C(=O)CCCC1=O)CCC2 585162700 MXTICUPLUWLWFN-GCKMJXCFSA-N 351.467 1.868 5 40 FDBB O=C(NCCO)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1 2824674 ZDOJAEKBUANJNN-JLHYYAGUSA-N 361.379 1.536 5 40 FDBB CCCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 4564817 QWVARNROGVXSGW-UHFFFAOYSA-N 373.431 1.530 5 40 FDBB CCOC(=O)N1CCN(C(=O)COc2cc(C)ccc2[N+](=O)[O-])CC1 8883535 NOEQWCJKMNVHQN-UHFFFAOYSA-N 351.359 1.583 5 40 FDBB O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 18154005 CXWYULPZGNRRIJ-BKUVIOGVSA-N 365.139 1.800 5 40 FDBB C[C@H](NC(=O)c1ccc([C@H](C[N+](=O)[O-])SCCC(=O)O)cc1)C(=O)O 1609243 BCOPSWRKZURYOI-CABZTGNLSA-N 370.383 1.415 5 40 FDBB O=C(C1=NO[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccco1 100355148 NONCNMRPGNJYJQ-FZMZJTMJSA-N 355.262 1.315 5 40 FDBB COCCN(CCOC)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl 3320464 KOOWLCNHBJZTOI-UHFFFAOYSA-N 374.777 1.526 5 40 FDBB CN1CCN(c2ccc(C(=O)NCc3cccnc3)cc2[N+](=O)[O-])CC1 8720838 KNEPKJDILVIMQS-UHFFFAOYSA-N 355.398 1.672 5 40 FDBB COC(=O)CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 224255910 GFGSMTUNRWGYDA-UHFFFAOYSA-N 354.369 1.964 5 40 FDBB O=c1n(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnn1-c1cccs1 31849928 VRYUWBDMIWWINS-UHFFFAOYSA-N 371.338 1.497 5 40 FDBB CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408563513 AQKQWCAHEKQSQO-QHLBDZCJSA-N 367.361 1.937 5 40 FDBB CCOc1ccc(NS(=O)(=O)c2c(C)nn(C)c2F)c([N+](=O)[O-])c1 252490840 LCUUYYYDGSQNNC-UHFFFAOYSA-N 358.351 1.975 5 40 FDBB Cc1nn(CCS(=O)(=O)N(C)Cc2ccccc2)c(C)c1[N+](=O)[O-] 9387809 OEMXCJTXXIIVMP-UHFFFAOYSA-N 352.416 1.870 5 40 FDBB CN(Cc1ccccc1)C[C@@H](O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 602965835 PGHRCLVGYPKDQP-PMACEKPBSA-N 373.453 1.885 5 40 FDBB O=C(CCn1ccc([N+](=O)[O-])n1)NCCCn1cc(Br)cn1 2777593 AZCCBZRHZGSJJV-UHFFFAOYSA-N 371.195 1.347 5 40 FDBB COc1ccc(NC(=O)CSc2nnc(C3CC3)n2N)c([N+](=O)[O-])c1 25393844 ABVZCJOHIVNUAA-UHFFFAOYSA-N 364.387 1.517 5 40 FDBB O=C(Cn1cnc([N+](=O)[O-])c1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 12849502 DECRIIONZNSPTF-UHFFFAOYSA-N 360.330 1.048 5 40 FDBB O=C(Cn1cnc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 23198148 JAKNCQGWWQUKNF-ZDUSSCGKSA-N 358.354 1.926 5 40 FDBB O=C(NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 10037706 SRIFGSVNFXQRGV-UHFFFAOYSA-N 368.393 1.673 5 40 FDBB O=C(NCC(=O)N1CCO[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 30766134 IBEMKAVCZYBFQV-QGZVFWFLSA-N 369.377 1.925 5 40 FDBB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1cccc([N+](=O)[O-])c1 2646348 OCYRBMDTGQEGSW-LBPRGKRZSA-N 364.383 1.254 5 40 FDBB CCN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)CC1 4306372 BNIRVMFTQZXMDL-UHFFFAOYSA-N 361.381 1.992 5 40 FDBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccc(C(=O)O)cc1 6550426 UNUDYRBIOAHSCW-UHFFFAOYSA-N 368.305 1.642 5 40 FDBB CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1Cl 24981133 XPKJXBMMDDCYEK-AWEZNQCLSA-N 364.789 1.969 5 40 FDBB O=C(NC[C@H]1COCCO1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 55847838 SLOFUWUHHCLAID-JTQLQIEISA-N 364.276 1.681 5 40 FDBB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 3449452 RVQGOVXINIDEPZ-HNNXBMFYSA-N 366.761 1.907 5 40 FDBB CCCNC(=O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 36393222 BWNCQEKQDHXGAW-UHFFFAOYSA-N 350.419 1.117 5 40 FDBB COc1ccc(S(=O)(=O)NCCNc2ccc([N+](=O)[O-])cn2)cc1 24215901 YSECKILVMSZLDR-UHFFFAOYSA-N 352.372 1.389 5 40 FDBB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 6478191 GKMHOZICUIGUIN-ZXFNITATSA-N 372.333 1.279 5 40 FDBB CCOC(=O)c1[nH]c(C[N+]23CCN(CC2)CC3)c(C(=O)OCC)c1C 13141605 OYPBDCRCNNOPKL-UHFFFAOYSA-O 350.439 1.323 5 40 FDBB COc1ccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1OC 12917608 RPLRYKJASCXGFC-UHFFFAOYSA-N 372.381 1.969 5 40 FDBB CCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CC 13508374 LMBVWVMURYPSQM-GFCCVEGCSA-O 370.359 1.101 5 40 FDBB in-vitro CCC(CC)NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 3503264 FHZDKDUODGILAE-UHFFFAOYSA-N 372.399 1.460 5 40 FDBB O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c([N+](=O)[O-])cc2c1=O 4329543 YLICLSGVCRSWEH-UHFFFAOYSA-N 358.354 1.352 5 40 FDBB CC(C)OCCCN1CC2=C(C1=O)[C@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N2 14246126 IDQBNHWZCGLOEL-INIZCTEOSA-N 374.397 1.860 5 40 FDBB COC(=O)C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 72314216 XYZFNPRTLWJCHT-ZDUSSCGKSA-N 363.370 1.573 5 40 FDBB O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 221866852 VDMLSIPPOUVVJS-KKOKHZNYSA-N 365.139 1.800 5 40 FDBB CN(C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 835127 OIHWTNMRNLWGFN-UHFFFAOYSA-N 363.395 1.878 5 40 FDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 408623154 RBKVFPPDKBIDOV-OMDWYFEUSA-N 352.346 1.717 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccco1)S(C)(=O)=O 10331810 JUOPYRFSEPXWEG-UHFFFAOYSA-N 367.383 1.579 5 40 FDBB CS(=O)(=O)c1ccc(NCCCOC[C@H]2CCCO2)c([N+](=O)[O-])c1 8745688 SEYCETBQHULOTK-GFCCVEGCSA-N 358.416 1.996 5 40 FDBB CC(C)(CO)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 75568165 QFZWPYRFPWJURD-UHFFFAOYSA-N 357.432 1.952 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O 260895232 JFTFNCUILJQRMS-GFCCVEGCSA-N 357.432 1.830 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)COC[C@@H]3CCCO3)CC2)cc1 33014980 LNQDAXSMMQUWOW-ROUUACIJSA-N 365.430 1.273 5 40 FDBB O=C(O)c1ccc(CS(=O)(=O)c2ccccc2C(=O)O)c([N+](=O)[O-])c1 1624306 RFFSENHRZUIDJC-UHFFFAOYSA-N 365.319 1.965 5 40 FDBB Cc1nn(C)c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] 95356511 OXHZRRNCVABAQT-ZDUSSCGKSA-N 364.450 1.160 5 40 FDBB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 226862556 XXQYOGBDANIFCU-CYBMUJFWSA-N 368.342 1.708 5 40 FDBB CS(=O)(=O)c1ccc(NCC(=O)NCc2ccco2)c([N+](=O)[O-])c1 31527884 ZXAPFPWBQLHTBN-UHFFFAOYSA-N 353.356 1.320 5 40 FDBB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2n1 9506899 CAGJTSRQLVPINU-UHFFFAOYSA-N 370.325 1.445 5 40 FDBB O=c1c2nn(Cc3cccc([N+](=O)[O-])c3)c(=O)n2ccn1-c1ccccc1 225546897 TYTKBXIERYTHAY-UHFFFAOYSA-N 363.333 1.603 5 40 FDBB C[N+]1(CCNC(=O)C(=O)NCC[N+]2(C)CCCCCC2)CCCCCC1 5022288 XEGPBSROWCCWHC-UHFFFAOYSA-P 368.566 1.260 5 40 FDBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)N1CCCC1 14242911 KMLGJORKURLCNR-VXGBXAGGSA-N 363.370 1.267 5 40 FDBB O=C([C@@H]1CCCO1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 5930723 DHOQNKBXGSISTB-KRWDZBQOSA-N 356.382 1.971 5 40 FDBB COc1ccc(CCNC(=O)COc2cccnc2[N+](=O)[O-])cc1OC 12487592 ZTXYYPVDNJOLIM-UHFFFAOYSA-N 361.354 1.745 5 40 FDBB CCOC(=O)N1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 20806473 KQSIRLZTAQUYGC-CQSZACIVSA-N 353.375 1.109 5 40 FDBB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1 12817883 BTAGUGIKROZNIC-UHFFFAOYSA-N 368.371 1.459 5 40 FDBB CNC(=O)C1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 63254388 RHCLZRMGDMMXLC-UHFFFAOYSA-N 358.398 1.971 5 40 FDBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccnc(-n2cncn2)c1 40156361 WEFFNRQQPQWWSL-UHFFFAOYSA-N 353.342 1.412 5 40 FDBB COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1ccc(C)c([N+](=O)[O-])c1 8203996 UURAWMBNTYQQJB-ZDUSSCGKSA-N 366.370 1.764 5 40 FDBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)NC[C@H]2CCCO2)CC1=O 408640234 ICXMFJVFFJQFID-WCQYABFASA-N 363.370 1.252 5 40 FDBB O=C(C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)N1CCOCC1 42912818 GVVKJZZOGZBHJR-UHFFFAOYSA-N 373.413 1.473 5 40 FDBB O=C1c2ccccc2C(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19314339 MCYKBHXPSJQOFS-UHFFFAOYSA-N 366.377 1.971 5 40 FDBB O=[N+]([O-])c1c(NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)nc2sccn12 24204464 ISHDIFLYDNCPFW-NEPJUHHUSA-N 367.431 1.453 5 40 FDBB O=C(NC1CC1)c1ccc(N2CCC(NC(=O)C3CC3)CC2)c([N+](=O)[O-])c1 51879005 JAKLGGRNIGYNMY-UHFFFAOYSA-N 372.425 1.982 5 40 FDBB COC(=O)CN1CCCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 76042061 NYIDUKOVATUIFA-UHFFFAOYSA-N 367.427 1.638 5 40 FDBB O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CCC[C@@H](O)C1 72295733 PDKIXHCECVREOJ-WDEREUQCSA-N 369.805 1.645 5 40 FDBB O=C(NCCNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1794692 SIUINFDTEFWQER-UHFFFAOYSA-N 358.310 1.663 5 40 FDBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1OC 12906785 VZDDFOZBZHBBCG-UHFFFAOYSA-N 372.381 1.969 5 40 FDBB Cc1cc(C)nc(NNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 9513230 KLUPPGRFDJPJOT-UHFFFAOYSA-N 351.388 1.924 5 40 FDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nnc(C2CC2)s1 9129344 NKBZDJYPYSONGO-UHFFFAOYSA-N 373.350 1.558 5 40 FDBB CCNc1ccc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc1[N+](=O)[O-] 6318934 DMZMFNWZZXLHID-LBPRGKRZSA-N 352.347 1.403 5 40 FDBB C[C@H](O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 84637292 FWYINBOJAWCPGR-ZETCQYMHSA-N 353.194 1.407 5 40 FDBB CC[C@@H](C)NC(=O)COC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 7555250 MJNXLPNTZGZMJB-ORAHPGNNSA-N 350.327 1.795 5 40 FDBB Nc1nc(NCCOCCO)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 5091241 VOWFRPMZILNAJY-UHFFFAOYSA-N 368.781 1.785 5 40 FDBB CCn1c(=O)c([N+](=O)[O-])c(N[C@H]2CCS(=O)(=O)C2)c2ccccc21 5577184 RYVRQDYRFDUDSS-JTQLQIEISA-N 351.384 1.529 5 40 FDBB O=C(C1CCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 7804973 UXZOCHROVWIVBI-UHFFFAOYSA-N 353.400 1.228 5 40 FDBB C[C@@H](Cn1cccn1)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 24806905 GWVAVCLTIJOQCV-LBPRGKRZSA-N 373.369 1.684 5 40 FDBB O=[N+]([O-])c1ccccc1CN1CCN(S(=O)(=O)c2cccnc2)CC1 29818850 IHPHHHRNBBQFIE-UHFFFAOYSA-N 362.411 1.496 5 40 FDBB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)s1 223137538 KUDQMMYICLVAJI-UHFFFAOYSA-N 371.400 1.842 5 40 FDBB NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 5007688 FBONRSSVJRZHHO-LBPRGKRZSA-N 363.399 1.610 5 40 FDBB CN(C)c1nc(N)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1 54147645 LBFLMUYNBZLOAM-UHFFFAOYSA-N 357.418 1.355 5 40 FDBB O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1c1nnc2n1CCCCC2 36395073 VGKBXZCJMVQSOB-CYBMUJFWSA-N 359.390 1.473 5 40 FDBB NS(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])cc2C(=O)O)cc1 408712444 FPJVTMFKRFACEF-UHFFFAOYSA-N 365.367 1.595 5 40 FDBB Cc1ccc(-c2ccc(C=c3sc4n(c3=O)CCN=4)o2)c([N+](=O)[O-])c1 585680303 FTRZQDLGLWXRAY-UHFFFAOYSA-N 355.375 1.848 5 40 FDBB NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2790396 GZPUGTBQCCGWGL-UHFFFAOYSA-N 366.311 1.403 5 40 FDBB Cn1c(=O)[nH]c(=O)c2c1nc([N+](=O)[O-])n2Cc1c(F)cccc1Cl 4911568 WPQATSXGAATVHC-UHFFFAOYSA-N 353.697 1.172 5 40 FDBB O=c1/c(=C/c2ccccc2)sc2n1CN(c1ccc([N+](=O)[O-])cc1)CN=2 5093279 SVHLWVBVECTXQC-YBEGLDIGSA-N 366.402 1.702 5 40 FDBB CCOCCCNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10336082 CROPXPCLJWVCOD-UHFFFAOYSA-N 373.431 1.212 5 40 FDBB COC(=O)[C@]1([C@@H](C[N+](=O)[O-])c2ccco2)C(=O)NC[C@H]1c1ccccc1 4311629 VAZFXBUZRINRPN-SUNYJGFJSA-N 358.350 1.713 5 40 FDBB COC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 5207298 YUFDYFZSONETHV-JTQLQIEISA-N 358.372 1.320 5 40 FDBB COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1cccc(C)c1[N+](=O)[O-] 8514392 GBBAIUXWVIJASZ-ZDUSSCGKSA-N 366.370 1.764 5 40 FDBB COC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1[N+](=O)[O-] 10453763 IJZPTFTYXVZONY-AWEZNQCLSA-N 358.350 1.874 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O 10370889 ZTYHPNGWDUTWNG-UHFFFAOYSA-N 364.383 1.703 5 40 FDBB C/C=C1\C[N@+]2(C)[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@H]32)[C@H]1O 252460269 CZPDTQCCDJQAJE-BRJFUPSPSA-N 367.469 1.820 5 40 FDBB biogenic O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1NC1CCCCC1 5005441 CRARSBVOULKKGD-UHFFFAOYSA-N 361.358 1.930 5 40 FDBB CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 7238932 PXDHQTXVXBMICE-UHFFFAOYSA-N 368.459 1.521 5 40 FDBB O=C(OCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])s1 84445199 NZZYOZPSYIQIMB-MNOVXSKESA-N 354.384 1.983 5 40 FDBB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 5900553 QGFIIXQFCSEDHH-CVEARBPZSA-N 366.395 1.109 5 40 FDBB Cc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)c([N+](=O)[O-])c1 12901321 REHQCZNXOKEMDN-UHFFFAOYSA-N 365.367 1.617 5 40 FDBB COc1ccc(C2N3CC4([N+](=O)[O-])CN2CC([N+](=O)[O-])(C3)C4(C)C)cc1 19320417 AQUICHQENWTAOX-UHFFFAOYSA-N 362.386 1.396 5 40 FDBB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 245380184 SNVLJRBUBUBHBJ-JSBGKLSNSA-N 370.321 1.883 5 40 FDBB CS(=O)(=O)c1ccc(Oc2cccnc2[N+](=O)[O-])c(S(C)(=O)=O)c1 40020092 ADOSDEGBJLVAPD-UHFFFAOYSA-N 372.380 1.589 5 40 FDBB O=C1COc2ccc(C(=O)COC(=O)c3ccccc3[N+](=O)[O-])cc2N1 23077868 SJHJNBQPIASSFI-UHFFFAOYSA-N 356.290 1.965 5 40 FDBB COc1ccc(-c2noc(Cn3cc([N+](=O)[O-])ccc3=O)n2)c(OC)c1 14241507 NLNLMGMMHCBUTR-UHFFFAOYSA-N 358.310 1.872 5 40 FDBB CNS(=O)(=O)c1ccc(N(C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 89395801 RFXIUHKWZLKNOD-UHFFFAOYSA-N 351.384 1.845 5 40 FDBB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1 36022142 XGCNLPUTJYWKEF-ZDUSSCGKSA-N 351.315 1.118 5 40 FDBB CCNC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 25651527 NOACKFFKFCHQRV-UHFFFAOYSA-N 360.326 1.050 5 40 FDBB COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CCOC1=O)[N+](C)(C)CC3)OCO2 4064726 CNYFEQJRLXZDJW-OLZOCXBDSA-N 362.402 1.620 5 40 FDBB biogenic COc1ccc(N2C(=O)[C@H]3C(c4ccc([N+](=O)[O-])cc4)=NO[C@H]3C2=O)cc1 103573426 YMLWYIJFKFJQDM-GOEBONIOSA-N 367.317 1.896 5 40 FDBB COc1ccc(CNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 3228156 YXVZTSHVEKQKFV-UHFFFAOYSA-N 369.333 1.516 5 40 FDBB Cc1ccccc1Nc1nc(N)nc(Cn2cc([N+](=O)[O-])ccc2=O)n1 7984124 HLKAVPVFVNKMCT-UHFFFAOYSA-N 353.342 1.624 5 40 FDBB COc1cc2c(cc1OC)CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC2 5230991 PVHDBFSCGGKPHI-UHFFFAOYSA-N 373.365 1.359 5 40 FDBB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O 16498105 MXBLRDYNNQKISE-UHFFFAOYSA-N 372.381 1.045 5 40 FDBB Cc1nn(CCCNC(=O)CCn2ncc([N+](=O)[O-])c2C)cc1Cl 2794136 WJRNSRSBLJXEKS-UHFFFAOYSA-N 354.798 1.855 5 40 FDBB O=c1cc(CO)oc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1O 57318506 IFQQVBBJJRNTOD-UHFFFAOYSA-N 361.354 1.068 5 40 FDBB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 5787847 ZVXKVLJEVZFELD-ZDUSSCGKSA-N 365.367 1.679 5 40 FDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)c1C 9689849 AGSDJLTVOIPHPA-CYBMUJFWSA-N 355.416 1.453 5 40 FDBB CCOC(=O)C1CCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 25284926 RAFPZFOWLMQCOI-UHFFFAOYSA-N 361.354 1.423 5 40 FDBB CC(C)NC(=O)CN1CCCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 32777833 AVAVXRJMDXUSOC-UHFFFAOYSA-N 360.418 1.279 5 40 FDBB C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)O 2948505 HGYAMJBKPQSFID-AVMBBCFPSA-N 373.321 1.548 5 40 FDBB O=[N+]([O-])c1cc([N+](=O)[O-])c(NC[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 17413802 SVLPCMOIRWXVAU-SSDOTTSWSA-N 360.304 1.258 5 40 FDBB Cc1ccc(N2C(=O)C[C@@H](N3CCCC[C@@H]3CCO)C2=O)cc1[N+](=O)[O-] 105330658 XGBDYBVRNXTPPD-CZUORRHYSA-N 361.398 1.772 5 40 FDBB Cc1nn(CC(=O)Nc2cnn(CCCC(=O)O)c2)c(C)c1[N+](=O)[O-] 12372171 UZSHSOCKOUEQKP-UHFFFAOYSA-N 350.335 1.108 5 40 FDBB CC(C)NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4839260 LMRNWDQLPMWZFV-UHFFFAOYSA-N 351.359 1.113 5 40 FDBB CNS(=O)(=O)c1ccc(N2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])c1 60362975 NQBVEOHBSKJKRS-LLVKDONJSA-N 371.415 1.092 5 40 FDBB CN(C)CCNS(=O)(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 5688221 SMTMTNQLIXAJPO-UHFFFAOYSA-N 356.448 1.789 5 40 FDBB C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 7196964 ZFLREEQXZWTCHU-GFCCVEGCSA-N 363.370 1.269 5 40 FDBB Cc1nn(CC(=O)N(C)C[C@H]2COc3ccccc3O2)c(C)c1[N+](=O)[O-] 8132395 OCFHIGVVCKFPNC-ZDUSSCGKSA-N 360.370 1.707 5 40 FDBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1)NCc1ccccc1 14325745 MFXCTNOWNKNKGB-UHFFFAOYSA-N 355.398 1.428 5 40 FDBB CC(C)n1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O 38829417 DXPTVSGGGHDXIU-UHFFFAOYSA-N 368.437 1.625 5 40 FDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CC(C)C)C(=O)N(C)C 46034979 JYIFJIZQCCSTPM-LBPRGKRZSA-N 357.432 1.684 5 40 FDBB O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc([N+](=O)[O-])o1 38679790 YALPBXUQHNXPOF-BDAKNGLRSA-N 353.356 1.924 5 40 FDBB C/C=C1\C[N@+]2(C)[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@@H]32)[C@H]1O 252460272 CZPDTQCCDJQAJE-PCAGYJJJSA-N 367.469 1.820 5 40 FDBB biogenic O=C(CCn1cncn1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 24744766 KSFUHZPTIBYSRB-UHFFFAOYSA-N 364.793 1.579 5 40 FDBB Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 11990887 YAKAQJDVAMFDGD-SNVBAGLBSA-N 357.344 1.071 5 40 FDBB O=c1/c(=C\c2ccccc2O)sc2nc(-c3cccc([N+](=O)[O-])c3)nn12 26770620 FDYBLTSLQVISPY-NTEUORMPSA-N 366.358 1.980 5 40 FDBB O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 71812661 FEQVHZPSRJOHJH-RDBSUJKOSA-N 353.325 1.950 5 40 FDBB CC1CCN(c2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@@H](C)C3)n2)CC1 5164720 UTJOMBCEIJNHIG-RYUDHWBXSA-N 350.423 1.817 5 40 FDBB CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CN2CCC1CC2 601447048 FUGAFCXVSAZWIM-OAHLLOKOSA-N 353.444 1.872 5 40 FDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C[C@H]1CCOC1)C1CC1 32469554 UCRXEAGZIIWEKW-LLVKDONJSA-N 356.400 1.793 5 40 FDBB CN1C=CC=C[C@H]1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 19331604 NJIRKVGKYOISNK-MRXNPFEDSA-N 364.427 1.243 5 40 FDBB CC(C)(C)OC(=O)N1CCN(C(=N)Nc2ncccc2[N+](=O)[O-])CC1 225243012 VAERLAUDKXBGND-UHFFFAOYSA-N 350.379 1.889 5 40 FDBB Nc1nc(N)nc(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)n1 1723730 GSUCUMIUGYIFJW-UHFFFAOYSA-N 351.326 1.864 5 40 FDBB CCC[C@@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10326538 HLPWSAWWGAOXBQ-GFCCVEGCSA-N 357.432 1.974 5 40 FDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCC(C)C)S(C)(=O)=O 33738453 IAXQTTOHBALJGR-UHFFFAOYSA-N 359.404 1.142 5 40 FDBB O=[N+]([O-])c1cnn(-c2cnc3c(I)cnn3c2)c1 685936773 XRUAYYFNNVKJCH-UHFFFAOYSA-N 356.083 1.428 5 40 FDBB O=C(C1=NO[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12)c1cccs1 100354861 RZBLTGSUNCBWIN-RISCZKNCSA-N 371.330 1.783 5 40 FDBB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c([N+](=O)[O-])c1 10219931 UQMKBSAMOFVSMW-INIZCTEOSA-N 362.342 1.262 5 40 FDBB Cc1cc(NC(=O)Cn2nc(-c3ccc([N+](=O)[O-])cc3)ccc2=O)no1 5400571 LALGTYSRXCDNHO-UHFFFAOYSA-N 355.310 1.754 5 40 FDBB C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 26483169 WNBJGQNXPXOHJB-GOEBONIOSA-N 361.446 1.807 5 40 FDBB CC(C)(C)NC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 3320008 GOPFIQHAWHPBAF-UHFFFAOYSA-N 371.777 1.436 5 40 FDBB aggregator CCOC(=O)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 20806485 HPEAMBFAZMWGFT-ZDUSSCGKSA-N 353.375 1.109 5 40 FDBB CCS[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4826228 ITLKWOMIUSUUOR-LOWDOPEQSA-N 359.360 1.115 5 40 FDBB O=C(O)c1cc([N+](=O)[O-])ccc1NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 25044534 IWSSAJQYBBBPHF-WBMJQRKESA-N 365.386 1.442 5 40 FDBB COC(=O)[C@@H](C)CN(C)C(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-] 32928162 LAGLNZUNFZMHSV-VIFPVBQESA-N 370.358 1.502 5 40 FDBB O=C(O)[C@@H]1Cc2ccccc2CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] 580838342 FBOIHDQGWPGTCN-RDJZCZTQSA-N 372.377 1.846 5 40 FDBB CCn1c(=O)n(CC)c2c([N+](=O)[O-])c(N3CCOCC3)c([N+](=O)[O-])cc21 17075031 VXTWQLYLHLZPPY-UHFFFAOYSA-N 365.346 1.496 5 40 FDBB O=C1[C@@H]2CCCN2C(=O)N1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19911477 PDOCBLJTWVGXDE-INIZCTEOSA-N 373.413 1.143 5 40 FDBB COc1ccc(NC(=O)N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 23391154 HJNRXILXLMSXDA-UHFFFAOYSA-N 358.358 1.748 5 40 FDBB CC(=O)N1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 12522410 SWMLPPWNUVSDKX-UHFFFAOYSA-N 363.417 1.845 5 40 FDBB Cc1cc(C)cc(NC(=O)C(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 408553794 QPDUWKVVCRTYSP-UHFFFAOYSA-N 370.365 1.905 5 40 FDBB O=C(CNC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 408553897 RHTRZEMSZSMOLR-UHFFFAOYSA-N 360.301 1.427 5 40 FDBB CNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)c1=N 100753955 LZEVZXXYRLBXJK-UHFFFAOYSA-N 369.425 1.303 5 40 FDBB biogenic Cn1cnnc1Sc1ccc(C2OC(=O)CC(=O)O2)cc1[N+](=O)[O-] 59488747 DSXJACBZHOFUOE-UHFFFAOYSA-N 350.312 1.363 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CS(=O)(=O)c2ccccc21 84579234 YIRXQGACKIJAME-NSHDSACASA-N 368.392 1.402 5 40 FDBB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 26098026 OFTXNTXYCSUHMQ-VOTSOKGWSA-N 353.400 1.148 5 40 FDBB Cn1nnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 89741508 OWLAHLKHAGAXRJ-UHFFFAOYSA-N 373.192 1.612 5 40 FDBB Cc1cccc(C)c1NC(=O)CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 12980583 TURGDZBFQKYGDD-UHFFFAOYSA-N 359.386 1.780 5 40 FDBB O=C(CCN1C(=O)NC2(CCCC2)C1=O)OCc1ccccc1[N+](=O)[O-] 24973727 KXVIRIPISRVLRR-UHFFFAOYSA-N 361.354 1.893 5 40 FDBB CCOC(=O)c1cc(C(=O)NCCCCn2cnnc2)cc([N+](=O)[O-])c1 76066851 PYGCDVRZQQXELG-UHFFFAOYSA-N 361.358 1.573 5 40 FDBB c1nc2c(sc3nc(N4CCOCC4)c4c(c32)CCC4)c2nnnn12 20326702 BUHJOIOFVAAXRY-UHFFFAOYSA-N 353.411 1.608 5 40 FDBB COc1cccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 26481062 DTPCXJOXWNSWLZ-UHFFFAOYSA-N 371.397 1.759 5 40 FDBB CCOc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCC(C(=O)O)CC1 40157627 MDWIQYSSXUNYEO-UHFFFAOYSA-N 352.343 1.696 5 40 FDBB Nc1nccnc1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10077464 ZSQHNNDDOADPIR-UHFFFAOYSA-N 370.291 1.828 5 40 FDBB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 408733754 PUQHQMNCOMMJQR-KNPMLCFXSA-N 364.741 1.444 5 40 FDBB O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3C3CCOCC3)n2)c1 15674863 XMNWIZLXMWGDDY-CABCVRRESA-N 360.370 1.932 5 40 FDBB biogenic,in-vitro C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2=O 12602820 URXKKUMJFNOSMK-QGHHPUGFSA-N 360.370 1.694 5 40 FDBB Cc1nn(CC(=O)NCCNC(=O)c2cccs2)c(C)c1[N+](=O)[O-] 2733718 BYCVPJQTYJNEDG-UHFFFAOYSA-N 351.388 1.016 5 40 FDBB C[C@H]1CN(c2nc(NC[C@@H]3CCCO3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 5164802 RCPULQZWOYPBDL-DCAQKATOSA-N 352.395 1.172 5 40 FDBB COC(=O)[C@H](C(C)=O)C(c1cccc([N+](=O)[O-])c1)[C@H](C(C)=O)C(=O)OC 16138798 NRZGJFOHXKPBOS-YIONKMFJSA-N 365.338 1.435 5 40 FDBB CNS(=O)(=O)c1ccc(Nc2ccc(N(C)C)nc2)c([N+](=O)[O-])c1 12510747 XZBXUMLRXXVGTL-UHFFFAOYSA-N 351.388 1.708 5 40 FDBB Cc1nn(CC(=O)OCC(=O)N[C@@H](C)c2ccccc2)c(C)c1[N+](=O)[O-] 2662093 USDAVKSQGPODAM-NSHDSACASA-N 360.370 1.829 5 40 FDBB CCOC(=O)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 6891699 BPEICFQIUUMNLD-CQSZACIVSA-N 352.387 1.610 5 40 FDBB CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCS(=O)(=O)C1 69918708 CRLLRLCKGBHRNF-ZDUSSCGKSA-N 356.400 1.470 5 40 FDBB Cc1nn(C)c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] 95356512 OXHZRRNCVABAQT-CYBMUJFWSA-N 364.450 1.160 5 40 FDBB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc([N+](=O)[O-])c1 71980131 RWEQCEGKOHYSOV-AWEZNQCLSA-N 363.370 1.332 5 40 FDBB Cn1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc21 100913225 LEWJZQDPUDTVTM-UHFFFAOYSA-N 373.416 1.638 5 40 FDBB O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2[nH]ccc2c1 92518753 PGQUMXAYGPYUMW-IAGOWNOFSA-N 355.350 1.900 5 40 FDBB Cc1nn(CC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1[N+](=O)[O-] 8133183 CGBOLSYPRWPLBT-UHFFFAOYSA-N 359.386 1.883 5 40 FDBB CC(C)C(=O)NCCNC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 24275474 NEWBALDPBMQESK-ONEGZZNKSA-N 363.370 1.363 5 40 FDBB O=C(O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)O)c1 4265699 OGXXNGJOEMSOSX-UHFFFAOYSA-N 366.307 1.792 5 40 FDBB biogenic NC(=O)C1CCN(CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 31093814 MGSMIWKMJPRWIF-UHFFFAOYSA-N 363.418 1.694 5 40 FDBB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 5305724 HEXWQTPBOUQASY-ZDUSSCGKSA-N 351.384 1.577 5 40 FDBB Cc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1C(=O)N(C)C 13891890 CGSCGWAOMCHLLL-UHFFFAOYSA-N 370.412 1.862 5 40 FDBB Cc1nnc(COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])o1 32910990 SFYBBCWLIMFTPN-UHFFFAOYSA-N 368.371 1.650 5 40 FDBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 10339373 NOPCDKGUEFMTMQ-LSDHHAIUSA-N 374.397 1.787 5 40 FDBB O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 8719884 VAAXZXRGUDDBKH-UHFFFAOYSA-N 367.365 1.982 5 40 FDBB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H](C)O1 21526073 NEILDGDXAVLYLL-VXGBXAGGSA-N 350.419 1.795 5 40 FDBB COC(=O)C1=C(C)O[C@H](Cn2cc([N+](=O)[O-])cc(Br)c2=O)C1 95444460 BKPAPVBYOSTBDJ-VIFPVBQESA-N 373.159 1.755 5 40 FDBB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 298933281 CHIZVHWSYQGPJA-GFCCVEGCSA-N 355.416 1.903 5 40 FDBB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc([N+](=O)[O-])o1 38679792 YALPBXUQHNXPOF-IUCAKERBSA-N 353.356 1.924 5 40 FDBB CCS(=O)(=O)N1CCC[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2)C1 52407441 NKVBZLJDULPRCH-ZDUSSCGKSA-N 356.400 1.700 5 40 FDBB O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CCC[C@@H](O)C1 72295732 PDKIXHCECVREOJ-GHMZBOCLSA-N 369.805 1.645 5 40 FDBB Nc1nc2nc3c(c(-c4cccc([N+](=O)[O-])c4)c2c(=O)[nH]1)C(=O)CCC3 20673633 YOWFQYNKGWOBFV-UHFFFAOYSA-N 351.322 1.995 5 40 FDBB Cn1cc(C[C@H]2CC(=O)N(Cc3c(F)cc([N+](=O)[O-])cc3F)C2=O)cn1 596261687 HNKFCVVHPJTKKF-JTQLQIEISA-N 364.308 1.724 5 40 FDBB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 2090843 XDDIETTXSKTQLA-SIIHOXLZSA-N 355.394 1.909 5 40 FDBB biogenic C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C[C@@H](C)O1 7813697 JEJNDPISSYOIRT-CHWSQXEVSA-N 369.443 1.993 5 40 FDBB CC(=O)c1cccc(NC(=O)CS[C@@H]2N=c3ccc([N+](=O)[O-])cc3=N2)c1 3625401 NBQVVMRMNSZCBB-QGZVFWFLSA-N 370.390 1.706 5 40 FDBB COc1ccccc1N1C(=O)[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O 103975784 CLNZFHSJWMAOSN-GDBMZVCRSA-N 367.317 1.896 5 40 FDBB C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F 6850934 VTEIIEFBQVFGFU-QTTZVWFDSA-N 367.259 1.235 5 40 FDBB Cc1nn(CC(=O)N2CCN(c3ccccc3O)CC2)c(C)c1[N+](=O)[O-] 26525516 DILYJPXZOGMWSG-UHFFFAOYSA-N 359.386 1.463 5 40 FDBB COc1ccc(N(CC(=O)O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 113879272 WTKGVNDTGJGTJP-UHFFFAOYSA-N 366.351 1.883 5 40 FDBB COC(=O)c1cc(N2CCC[C@@H](N3CCNC3=O)C2)cc(C)c1[N+](=O)[O-] 75108998 GTGTYFPLHOKEPF-GFCCVEGCSA-N 362.386 1.684 5 40 FDBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cc1 58265515 OQAYBZNTNNFCSW-SNVBAGLBSA-N 367.349 1.757 5 40 FDBB CS(=O)(=O)Nc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 29021475 JLOOJIURFYWQQW-UHFFFAOYSA-N 365.367 1.984 5 40 FDBB O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccco1)Nc1cccc([N+](=O)[O-])c1 9926934 WEETUHIOUCBPKR-CYBMUJFWSA-N 372.337 1.157 5 40 FDBB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)n1 8868376 SBSLCVTYRXKTPF-UHFFFAOYSA-N 356.747 1.694 5 40 FDBB O=C(COC(=O)Cn1nnc2ccccc21)Nc1cccc([N+](=O)[O-])c1 3262222 DMPZVHNRAIUDPV-UHFFFAOYSA-N 355.310 1.521 5 40 FDBB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100519326 SNVLJRBUBUBHBJ-BCIPIUJLSA-N 370.321 1.883 5 40 FDBB CCc1ccccc1Nc1nc(N)nc(Cn2cc([N+](=O)[O-])ccc2=O)n1 57476208 ILNFHLLCVQMYGL-UHFFFAOYSA-N 367.369 1.878 5 40 FDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 5038957 BRPHYNVFDAYZKM-UHFFFAOYSA-N 374.397 1.551 5 40 FDBB CS(=O)(=O)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 8747649 AAVXKDHIYMUNKD-UHFFFAOYSA-N 364.221 1.439 5 40 FDBB Cn1cnnc1Sc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1[N+](=O)[O-] 9254822 MWVZMXGYFDIXLM-SNVBAGLBSA-N 364.339 1.347 5 40 FDBB CCOC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 14641790 OYJKUGMIPIHFGS-UHFFFAOYSA-N 352.303 1.417 5 40 FDBB CCS(=O)(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 24461873 AXNBWNXYURAGBZ-UHFFFAOYSA-N 361.445 1.509 5 40 FDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 101014696 QLVMXYZTUVQCPF-HGDXVPPDSA-N 367.361 1.586 5 40 FDBB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 58061888 UZNQXUIEJDTGSH-NSHDSACASA-N 371.415 1.604 5 40 FDBB CCOC(=O)[C@H]1C(=O)N=C(N2CCCCC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 10339372 NOPCDKGUEFMTMQ-HUUCEWRRSA-N 374.397 1.787 5 40 FDBB O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 19994540 MAQSVWLRGHPECN-UHFFFAOYSA-N 356.338 1.681 5 40 FDBB CCC(=O)N1C(=O)[C@@H](C)[C@@]23c4cccc([N+](=O)[O-])c4C(=O)N2CCCN13 5662840 SVWKMRNBDRQCKA-BMLIUANNSA-N 358.354 1.239 5 40 FDBB C[C@H]1CN(S(=O)(=O)CCNc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 40091261 HQFKVRFXIQXFEF-PHIMTYICSA-N 361.395 1.585 5 40 FDBB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 21526080 NEILDGDXAVLYLL-RYUDHWBXSA-N 350.419 1.795 5 40 FDBB O=C(NCCC(=O)N1CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1 24995594 FKWYKEXAGWLBGO-UHFFFAOYSA-N 363.370 1.080 5 40 FDBB Cc1nn(-c2ccccc2)c(N)c1[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21 4948748 FWUURSFWONSINN-SFHVURJKSA-N 365.349 1.859 5 40 FDBB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 5426888 YMEQXIDDMOCSPE-OZVVPTBGSA-N 361.741 1.700 5 40 FDBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N=c1[nH]c2ccccc2[nH]1 12636933 IYGGGWKVGBFBDL-UHFFFAOYSA-N 353.338 1.652 5 40 FDBB CSc1nnc(C)n1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 33643151 FEQSXTMPUJHWPI-UHFFFAOYSA-N 366.428 1.783 5 40 FDBB O=C(COC(=O)c1ccc[n+]([O-])c1)Nc1cc([N+](=O)[O-])ccc1Cl 3290775 RNEGYLNLRFHFFN-UHFFFAOYSA-N 351.702 1.677 5 40 FDBB COC(=O)C1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 70778621 ZCVSPNOLVATPMO-UHFFFAOYSA-N 352.343 1.394 5 40 FDBB Cc1nn(CC(=O)OCC(=O)N[C@H](C)c2ccccc2)c(C)c1[N+](=O)[O-] 2662094 USDAVKSQGPODAM-LLVKDONJSA-N 360.370 1.829 5 40 FDBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H](N2CCC(C(=O)O)CC2)C1=O 9926989 MPZGXFYQMBWPJM-CQSZACIVSA-N 361.354 1.332 5 40 FDBB Cc1cnn(CCCNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 58165857 MSHMDFQPDDRVFT-CYBMUJFWSA-N 359.386 1.425 5 40 FDBB COc1cccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)n1 32759226 GGQPNFHNRZMCEK-UHFFFAOYSA-N 353.356 1.832 5 40 FDBB CCN(CCN(C)CC(F)(F)F)c1nc2ccccn2c(=O)c1[N+](=O)[O-] 79096227 MKTHDQCIFDRVRM-UHFFFAOYSA-N 373.335 1.923 5 40 FDBB O=C1C[C@H]2C(=O)C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]21 100810659 LGHKROZCWUTKDD-YHIXANTKSA-N 362.725 1.532 5 40 FDBB CN(C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 22278825 MGNMIQMPGXLOAD-UHFFFAOYSA-N 363.395 1.878 5 40 FDBB O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N1CCO[C@H]2CCCC[C@@H]21 54917505 FQEICWGOUWAQGJ-QWRGUYRKSA-N 373.207 1.724 5 40 FDBB O=C(O)CS(=O)(=O)c1ccc([S@@](=O)C(F)(F)F)cc1[N+](=O)[O-] 4387569 MKTMLJJYKOKXHV-NRFANRHFSA-N 361.275 1.081 5 40 FDBB COc1ccccc1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 200910323 VZVWCHYOMQTMGS-UHFFFAOYSA-N 365.367 1.520 5 40 FDBB Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(C(=O)OCC(C)C)CC1 71853445 LLVWXZKNCCWFDP-UHFFFAOYSA-N 367.406 1.427 5 40 FDBB Cc1noc(C)c1CN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 96765396 UXPSMLPQEGDCSH-UHFFFAOYSA-N 360.374 1.016 5 40 FDBB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 25059787 SIKVPJSRRJHGNN-BBRMVZONSA-N 364.402 1.454 5 40 FDBB CC(C)(C)C(=O)N1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1 70461868 PIZCQVAJBWMJOR-UHFFFAOYSA-N 358.402 1.870 5 40 FDBB C[C@@H]1CCCCN1C(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 5391199 PBEMNDTYASYPFM-LLVKDONJSA-N 364.354 1.924 5 40 FDBB C[C@H]1CN(C[C@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 58209928 SXUSGEADOUPGAU-VBQJREDUSA-N 360.414 1.928 5 40 FDBB NC(=O)c1ccsc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 8726735 QIHYIODFSZPDIP-UHFFFAOYSA-N 373.350 1.104 5 40 FDBB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 9442741 CDCYKCMUTAAJRJ-UHFFFAOYSA-N 355.270 1.731 5 40 FDBB CC(=O)S[C@H]1C[C@H](CO)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 145890542 ISMJAKHUEXVPIA-KGLIPLIRSA-N 354.384 1.946 5 40 FDBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@H]1C=C[C@H]2O1 101103898 CXWYULPZGNRRIJ-DDHJBXDOSA-N 365.139 1.800 5 40 FDBB CCN1CCN(c2nc(N)c([N+](=O)[O-])c(NCc3ccccc3)n2)CC1 4306422 JFVBDRTYOJHXNM-UHFFFAOYSA-N 357.418 1.721 5 40 FDBB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc([N+](=O)[O-])cc1Cl 5787808 IHMAFDULBBDXJK-UHFFFAOYSA-N 351.702 1.677 5 40 FDBB NS(=O)(=O)c1ccc(N2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1 12593477 CPDNXTOYRSTLKH-UHFFFAOYSA-N 369.428 1.025 5 40 FDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 30493470 XWVRYHQPWLHYSY-UHFFFAOYSA-N 366.351 1.811 5 40 FDBB CC[C@H]1CO[C@@H](C)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 32768435 RPTKVGMDZKVWFR-RYUDHWBXSA-N 363.370 1.346 5 40 FDBB Cc1c(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cccc1[N+](=O)[O-] 3235725 LSNDMCRRSNBIRB-UHFFFAOYSA-N 357.322 1.798 5 40 FDBB CCOC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 3887112 TZEQFXLNTIIJOR-UHFFFAOYSA-N 360.388 1.567 5 40 FDBB CCN(CC(C)(C)O)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 89961044 NIQKOSFJHXMHLM-UHFFFAOYSA-N 360.388 1.148 5 40 FDBB COc1cc(CCNC(=O)[C@@H](NC(C)=O)C(C)C)c([N+](=O)[O-])cc1OC 12697204 PMFOZFSLYZZCAM-INIZCTEOSA-N 367.402 1.431 5 40 FDBB CCN1CCN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)C[C@@H](C)C3)n2)CC1 4306042 UKQYWXBRJLYXRY-BETUJISGSA-N 363.466 1.591 5 40 FDBB O=c1c2ccc(F)cc2ncn1C[C@H](O)COc1cccc([N+](=O)[O-])c1 9690518 CPFKTQNOOQLDEN-ZDUSSCGKSA-N 359.313 1.884 5 40 FDBB O=C(N/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)N1CCOCC1)c1ccccc1 823119 ZUXHGARSNVYTDO-NTCAYCPXSA-N 371.349 1.818 5 40 FDBB C[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 12862376 YBXFQURQYLDMHO-TUKIKUTGSA-N 358.350 1.978 5 40 FDBB CCCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n[nH]c1=O 5966107 LRLQLCFPIVCOLV-UHFFFAOYSA-N 355.351 1.760 5 40 FDBB CC(C)COCCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 95988790 BAFLEZSISOWWEI-UHFFFAOYSA-N 351.403 1.834 5 40 FDBB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286229 DMPOEUFOJXZZCB-INIZCTEOSA-N 374.397 1.862 5 40 FDBB CCc1nc(CN2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)no1 75094557 KLSHLLVNVQUVDK-UHFFFAOYSA-N 360.374 1.080 5 40 FDBB CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 595593164 RTXPPGCNKKRSOX-IRXDYDNUSA-N 360.410 1.870 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 13791392 UROJEDJUUJELQR-JTQLQIEISA-N 357.388 1.214 5 40 FDBB NS(=O)(=O)c1ccc(NCCC(=O)N2CCCCCC2)c([N+](=O)[O-])c1 24974540 ZCILQTKMYZOYPA-UHFFFAOYSA-N 370.431 1.447 5 40 FDBB Cc1nn(CCS(=O)(=O)NCCc2ccccc2)c(C)c1[N+](=O)[O-] 9387811 WFSIZAWMCVKRQT-UHFFFAOYSA-N 352.416 1.570 5 40 FDBB C[C@H](c1nc(-c2nc[nH]n2)no1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 78970779 SBRXLVMGLIZTSY-LLVKDONJSA-N 370.373 1.646 5 40 FDBB COC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 75109607 IXCOMBZNRKOKJZ-JTQLQIEISA-N 362.791 1.868 5 40 FDBB CCOC(=O)Cc1cc([N+](=O)[O-])c(CC(=O)OCC)cc1NC(C)=O 3845562 XYFNYKXZQKQXAU-UHFFFAOYSA-N 352.343 1.764 5 40 FDBB biogenic Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccco1)N(C)C 10331216 ZZQOZKHDESGAGL-AWEZNQCLSA-N 360.370 1.854 5 40 FDBB CCOC(=O)C1=C(COC(=O)c2ccccc2[N+](=O)[O-])NC(=O)N[C@@H]1C 6060036 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O=C(N1CCOCC1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 102845323 ROUPIEXNLDISCO-SCQRFTTHSA-N 361.402 1.341 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCC(C)C)S(C)(=O)=O 10338984 MYINDKYYIJDQSB-UHFFFAOYSA-N 357.432 1.832 5 40 FDBB C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NCc1ccco1 24884154 PUFBDITYYFPPGE-VIFPVBQESA-N 362.294 1.778 5 40 FDBB CCOCCc1nnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 13838894 HCFNPWISURHLRS-UHFFFAOYSA-N 358.401 1.826 5 40 FDBB O=C(O)c1cc([N+](=O)[O-])ccc1NC[C@H]([C@@H]1CCOC1)N1CCOCC1 25044541 IWSSAJQYBBBPHF-MLGOLLRUSA-N 365.386 1.442 5 40 FDBB O=C1NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@@H]2[C@@H]1[C@@H]1C=C[C@@H]2C12CC2 100057847 VXATYHIRCKFCEU-NUZBWSBOSA-N 370.321 1.709 5 40 FDBB C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)O 2948510 HGYAMJBKPQSFID-PEHNMLCRSA-N 373.321 1.548 5 40 FDBB NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 2309767 MDKDRJGQCOTDPW-RMKNXTFCSA-N 361.379 1.572 5 40 FDBB Cc1nn(CC(=O)OCC(=O)N2CCc3ccccc32)c(C)c1[N+](=O)[O-] 3420372 LOSGDZOFLFYKGF-UHFFFAOYSA-N 358.354 1.541 5 40 FDBB O=C(CN1CC(=O)Oc2ccccc21)OCC(=O)c1ccc([N+](=O)[O-])cc1 4746801 BVIJKUDYNOALAV-UHFFFAOYSA-N 370.317 1.746 5 40 FDBB C[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N(C)C 7111847 BUKDIDGQTWBTAO-NSHDSACASA-N 371.415 1.235 5 40 FDBB O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ncc[nH]3)n2)c1 15674881 CNRAMJYTJBNAJO-OLZOCXBDSA-N 356.342 1.676 5 40 FDBB biogenic,in-vitro CN1CCN(CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)CC1 20265950 SUTUUPXSXUFEQA-GXDHUFHOSA-N 362.411 1.836 5 40 FDBB Cc1c(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-] 225223499 HWHKALCCBHRKAQ-LBPRGKRZSA-N 357.432 1.830 5 40 FDBB Nc1ncc(Cl)cc1S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21 84490320 JVHHUUHUQXVIKZ-UHFFFAOYSA-N 354.775 1.977 5 40 FDBB NC(=O)COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 223298586 MYWKOFORXCPMTD-UHFFFAOYSA-N 351.340 1.260 5 40 FDBB COc1ccccc1[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1nccn1C 12520614 UFCFJYJTHPKBSZ-ZDUSSCGKSA-N 355.358 1.911 5 40 FDBB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 409282223 GKMHOZICUIGUIN-ATNYBXOESA-N 372.333 1.279 5 40 FDBB Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] 95457688 RRFAVPDHEYRBKZ-DOMZBBRYSA-N 356.400 1.520 5 40 FDBB COc1cc([C@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc([N+](=O)[O-])c1O 20086524 KMIXOKHADKEWIE-GFCCVEGCSA-N 358.310 1.709 5 40 FDBB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1N 95469366 RGLAEKBEYAOTHN-UHFFFAOYSA-N 370.413 1.885 5 40 FDBB CN(C)c1ncccc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 32912938 KSRNABTZGIAYFA-UHFFFAOYSA-N 369.337 1.291 5 40 FDBB Cc1c(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cccc1-n1cnnn1 32770285 GDAZJQOGAVDMHN-UHFFFAOYSA-N 353.342 1.590 5 40 FDBB CC(C)NC(=O)[C@@H](C)OC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 9762704 JLUQIBOBJLBFNT-GHMZBOCLSA-N 351.359 1.169 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CN2CCC[C@H]2CO1 64345307 SVBUVZYMOLKUJD-STQMWFEESA-N 355.416 1.045 5 40 FDBB C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 42788071 WNOWKHBIRIUKIL-QGZVFWFLSA-N 360.370 1.421 5 40 FDBB O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccccc1[N+](=O)[O-] 13636694 GIUUONQTNPJMMO-CQSZACIVSA-N 361.354 1.066 5 40 FDBB CCN(CC)C(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4839270 NCAWFWKDGQAPFA-UHFFFAOYSA-N 365.386 1.457 5 40 FDBB O=C1[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 229800687 RBJOPGJGKFHFCD-FJJYHAOUSA-N 350.714 1.054 5 40 FDBB O=C1[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 5017289 UXJGOYNFVIBXTM-MCYUEQNJSA-N 350.714 1.054 5 40 FDBB COC(=O)CN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113872331 WBXRJUUMFRYHFF-UHFFFAOYSA-N 350.352 1.963 5 40 FDBB CCn1nc(C)c2nnn(CC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c(=O)c21 96182593 YRPIDCCOIJDAQM-UHFFFAOYSA-N 372.341 1.116 5 40 FDBB C[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 6328257 SRJDMPNHJZQOAJ-CYBMUJFWSA-N 369.443 1.852 5 40 FDBB CCN1CCC[C@@H]1CNC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 9531723 ZZMGBJJSQLUCDI-OAHLLOKOSA-N 361.446 1.807 5 40 FDBB COCCN1C(=O)[C@H](N2CCSC2=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 58111239 KEDLOKLGFZHPDU-QWHCGFSZSA-N 351.384 1.662 5 40 FDBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 24862797 CARPHKDXSCYZGD-IUODEOHRSA-N 369.443 1.233 5 40 FDBB O=C(NCCNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc2ccccc2n1 10313530 IIVSZBWSUWHDTJ-UHFFFAOYSA-N 354.322 1.896 5 40 FDBB COc1ccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)c([N+](=O)[O-])c1 16043623 QJKFRXFSROWSST-UHFFFAOYSA-N 365.371 1.554 5 40 FDBB CNS(=O)(=O)c1ccc(NCCCOC[C@H]2CCCO2)c([N+](=O)[O-])c1 8745686 DIHYURRFCMNYPH-GFCCVEGCSA-N 373.431 1.501 5 40 FDBB O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CCC[C@H](O)C1 72295730 PDKIXHCECVREOJ-MNOVXSKESA-N 369.805 1.645 5 40 FDBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 9112967 MLLXDALPHMDFTQ-UHFFFAOYSA-N 356.294 1.560 5 40 FDBB CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)NN=C2C[C@@]1(C)O 100642336 KONHVAPSKTWBQT-XJIUQZFPSA-N 361.354 1.114 5 40 FDBB C[C@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)O 2949409 DBCBYQRTPCDLER-AVMBBCFPSA-N 373.321 1.548 5 40 FDBB COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 956332 AQGIFDDCZSPTEV-CYBMUJFWSA-N 365.367 1.632 5 40 FDBB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O 23740926 FOKMTJJFCXIPFS-MRXNPFEDSA-N 356.382 1.850 5 40 FDBB COc1c2c(cc3c1[C@@H](CC(=O)[C@@H]1CCOC1=O)[N+](C)(C)CC3)OCO2 2107261 CNYFEQJRLXZDJW-QWHCGFSZSA-N 362.402 1.620 5 40 FDBB biogenic O=C(O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2654581 DCRZTRAVBRLBLM-AWEZNQCLSA-N 362.363 1.795 5 40 FDBB in-vitro COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)N2CCOCC2)cc1 32927107 GBBNAAWXNKZERZ-CQSZACIVSA-N 374.401 1.461 5 40 FDBB Cc1nnc2sc(SCC(=O)c3cccc([N+](=O)[O-])c3)nn2c1=O 15821546 SGPCVKBVECEJBM-UHFFFAOYSA-N 363.380 1.738 5 40 FDBB Cc1cc(C)n(CCCNC(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 23246839 YEHROWPDAZUTBN-UHFFFAOYSA-N 373.413 1.653 5 40 FDBB CC1(C)OC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)O1 12557672 XIRLDNNCCAILBC-ZDUSSCGKSA-N 362.338 1.179 5 40 FDBB NS(=O)(=O)c1ccc(NNC(=S)NC2CCCCC2)c([N+](=O)[O-])c1 9136740 MWQCQINGVDUXFP-UHFFFAOYSA-N 373.460 1.366 5 40 FDBB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)s1 222809039 NCLGONVESUIKGQ-UHFFFAOYSA-N 357.373 1.596 5 40 FDBB COC(=O)[C@@](NNc1ccc([N+](=O)[O-])cc1)(NC(C)=O)C(F)(F)F 4452566 BEQGCYYIABIBCL-NSHDSACASA-N 350.253 1.079 5 40 FDBB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 3849475 IRTFYSIOYPNBLF-GFCCVEGCSA-N 357.322 1.459 5 40 FDBB COc1ccc(OCCN2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1 57338386 KKPPVWYCMHYBDG-UHFFFAOYSA-N 361.402 1.538 5 40 FDBB COc1cc(C(=O)N[C@H](C)Cn2cccn2)c([N+](=O)[O-])c(OC)c1OC 24806856 VKNZPRJUTGRXFE-SNVBAGLBSA-N 364.358 1.636 5 40 FDBB CCN1C(=O)[C@@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 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C[C@@H]1CN(C(=O)CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 57381184 AVSLLWVBSDRRDZ-HUUCEWRRSA-N 362.430 1.353 5 40 FDBB CCCCNC(=O)CN1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 28007214 QJTWIQVUULVSFQ-UHFFFAOYSA-N 362.430 1.577 5 40 FDBB COCCN(CCOC)C(=O)COC(=O)c1cccc([N+](=O)[O-])c1C 5861544 QCZVVRQEDVHWCS-UHFFFAOYSA-N 354.359 1.181 5 40 FDBB COc1ccccc1N(CC(=O)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113879900 IOUYPTOWXWCLTA-UHFFFAOYSA-N 366.351 1.883 5 40 FDBB C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(NC[C@H]3CCCO3)n2)C[C@@H](C)O1 13511828 CTUJBHUZLYGBHD-GMTAPVOTSA-N 352.395 1.172 5 40 FDBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 24542433 XZMPPRYFVKBHKY-UHFFFAOYSA-N 373.365 1.860 5 40 FDBB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc([N+](=O)[O-])c1O 409142327 KTVCBAUNMVIQAH-RUDMXATFSA-N 354.296 1.430 5 40 FDBB NS(=O)(=O)c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 25389699 SSGXDYGTNNGMMS-UHFFFAOYSA-N 351.340 1.260 5 40 FDBB O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cc(OCC(F)F)cc([N+](=O)[O-])c1 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Cc1ccc(N2C(=O)C[C@H](N3CCCC[C@@H]3CCO)C2=O)cc1[N+](=O)[O-] 17074392 XGBDYBVRNXTPPD-CJNGLKHVSA-N 361.398 1.772 5 40 FDBB CCCn1nnnc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 17075814 GQXDORBIPZDPRJ-UHFFFAOYSA-N 369.794 1.772 5 40 FDBB O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 18279853 VDMLSIPPOUVVJS-USZNOCQGSA-N 365.139 1.800 5 40 FDBB C[N+]1(C[C@H](O)COC(=O)CC23CC4CC(CC(C4)C2)C3)CCOCC1 5921173 CNPRMWYZUDQCHM-AZRLCKCBSA-N 352.495 1.974 5 40 FDBB O=C1C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccc([N+](=O)[O-])cc21 16076802 ZSXRRWMQAYPQIU-UHFFFAOYSA-N 366.377 1.904 5 40 FDBB O=C1[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 100187972 UXJGOYNFVIBXTM-OZTPJHRESA-N 350.714 1.054 5 40 FDBB NC(=O)NCCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9118521 QIEBGBQNQLDBBJ-UHFFFAOYSA-N 363.296 1.200 5 40 FDBB O=C1NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@@H]2[C@@H]1[C@@H]1C=C[C@H]2C12CC2 4380277 VXATYHIRCKFCEU-DJBIQUGXSA-N 370.321 1.709 5 40 FDBB Cc1nn(C)c(N2CCN(CC(=O)N3CCCCCC3)CC2)c1[N+](=O)[O-] 47331123 PLRPIDYPBBWWEZ-UHFFFAOYSA-N 364.450 1.161 5 40 FDBB CCOC(=O)C(C)(C(=O)OCC)c1c[n+]([O-])c2ccccc2c1[N+](=O)[O-] 2022392 YSEPCPMGWVMFOO-UHFFFAOYSA-N 362.338 1.765 5 40 FDBB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 3849461 HSMNZZGCJBKXHD-LBPRGKRZSA-N 357.322 1.459 5 40 FDBB CC1CCN(c2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])CC1 5031107 WAIBTSKBSJNYCJ-VXGBXAGGSA-N 350.423 1.817 5 40 FDBB O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F 3257145 NPNQEYPMBBQGOI-LSDHHAIUSA-N 352.293 1.697 5 40 FDBB C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(NC[C@@H]3CCCO3)n2)C[C@@H](C)O1 13511825 CTUJBHUZLYGBHD-AXFHLTTASA-N 352.395 1.172 5 40 FDBB CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C1=O 5936337 DMAYGSPHVBMTJY-UHFFFAOYSA-N 362.342 1.433 5 40 FDBB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c([N+](=O)[O-])c1 408710680 VIXNYNJZNTXEME-DPDCMNJDSA-N 355.350 1.649 5 40 FDBB COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(C(F)(F)F)n1N 78406517 UFQMQGMAEPIGOP-UHFFFAOYSA-N 363.277 1.857 5 40 FDBB O=C(COc1ccccc1[N+](=O)[O-])N1CCN(CCc2ccncc2)CC1 20896924 WYYQOWAAVISPMH-UHFFFAOYSA-N 370.409 1.756 5 40 FDBB COCCN1C(=O)/C(=C(\C)Nc2ccc([N+](=O)[O-])cc2)C(=O)NC1=S 105209924 DJRMKUIHAGXICA-FMIVXFBMSA-N 364.383 1.170 5 40 FDBB CCNc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1[N+](=O)[O-] 5658527 YADRUBQGLBKGPG-UHFFFAOYSA-N 369.337 1.946 5 40 FDBB C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F 6852927 VTEIIEFBQVFGFU-SREIQFSDSA-N 367.259 1.235 5 40 FDBB CC(=O)N1CCC(NC(=O)CN2CCc3cc(C)c([N+](=O)[O-])cc32)CC1 95459856 FALHYHNQTDDRSA-UHFFFAOYSA-N 360.414 1.393 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCC2(CC1)OCCO2 56090551 JYCFPJWILWZXAC-UHFFFAOYSA-N 356.400 1.867 5 40 FDBB CCOC(=O)N1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 16088718 MVYOSBFXOOZVOA-UHFFFAOYSA-N 357.388 1.494 5 40 FDBB Cc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(CO)O2)c([N+](=O)[O-])cc1C 408917775 AZQMNTKZYWLALG-JFTQMJAMSA-N 358.350 1.407 5 40 FDBB Cc1nc2nc(N)nn2c(C)c1CCC(=O)OCc1ccc([N+](=O)[O-])cc1 12884403 GUYNFSWLPBWQJW-UHFFFAOYSA-N 370.369 1.908 5 40 FDBB O=C(Cn1nnc(-c2ccccc2)n1)N1CCc2cc([N+](=O)[O-])ccc21 16762432 ZRZXPELKQLVHQU-UHFFFAOYSA-N 350.338 1.838 5 40 FDBB COc1cc(NC(=O)CN2C(=O)C(=O)c3ccccc32)ccc1[N+](=O)[O-] 408550758 DUGQNTIAFSUCIA-UHFFFAOYSA-N 355.306 1.771 5 40 FDBB Nc1cc(NCCNS(=O)(=O)c2ccccc2)cc(CO)c1[N+](=O)[O-] 587110552 WDGBCZXJZKETTE-UHFFFAOYSA-N 366.399 1.060 5 40 FDBB C[C@H]1CCCCN1C(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 5391200 PBEMNDTYASYPFM-NSHDSACASA-N 364.354 1.924 5 40 FDBB CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2cccnc2)c1=N 100810180 SIIBYPZXESRGFM-UHFFFAOYSA-N 374.404 1.240 5 40 FDBB COc1ccc(Cl)cc1NC(=O)CN(C)c1ncc([N+](=O)[O-])c(N)n1 12522575 DVWYZOBYKXZMKN-UHFFFAOYSA-N 366.765 1.704 5 40 FDBB CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(=O)NC(C)(C)C 6638006 PWBQIMXLVCERBM-UHFFFAOYSA-N 366.418 1.779 5 40 FDBB O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)c1 20754111 FEUSYUVTLLQRHC-GFCCVEGCSA-N 350.352 1.713 5 40 FDBB COc1cccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 30835726 XMGKPMRRRRNNRR-UHFFFAOYSA-N 352.368 1.961 5 40 FDBB Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccn1 9707796 PTHKEIIMKUKDJS-UHFFFAOYSA-N 371.382 1.693 5 40 FDBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[C@@H](O)COc1ccc(F)cc1 15240645 NGTGZCGYYSYMTN-LLVKDONJSA-N 360.297 1.770 5 40 FDBB Cn1ccnc1C(=O)c1ccc(N[C@H]2CCCN(C(N)=O)C2)c([N+](=O)[O-])c1 95405671 JGGOQJYNUGYGQR-LBPRGKRZSA-N 372.385 1.514 5 40 FDBB CN(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 57011239 GKLZJSAFWFRVSE-HNNXBMFYSA-N 350.400 1.571 5 40 FDBB CN1C[C@H](c2ccc3c(c2)OCO3)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408563508 AQKQWCAHEKQSQO-JLBUNGTFSA-N 367.361 1.937 5 40 FDBB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 26483156 WNBJGQNXPXOHJB-HOCLYGCPSA-N 361.446 1.807 5 40 FDBB CCS(=O)(=O)N1CCC[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2)C1 52407443 NKVBZLJDULPRCH-CYBMUJFWSA-N 356.400 1.700 5 40 FDBB O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCc2nnc(-c3ccccc3)o2)cc1 32819301 PGNBGWQWTROCGD-NVXWUHKLSA-N 370.365 1.829 5 40 FDBB CN(Cc1ccn(C)n1)C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 2794553 XMVFWFBRUMJGAV-UHFFFAOYSA-N 354.370 1.845 5 40 FDBB O=C(c1ccccc1)c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1 15209335 VHRCPQYREQPHSW-UHFFFAOYSA-N 355.394 1.940 5 40 FDBB CC(=O)N[C@@H]1CCCC[C@@]12CN(Cc1ccc([N+](=O)[O-])c(O)c1)CCO2 306127526 GASPCBLIBSGSJW-QZTJIDSGSA-N 363.414 1.950 5 40 FDBB Cc1cc(O)nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n12 15881747 RWZTVERSWDBMEG-UHFFFAOYSA-N 360.355 1.777 5 40 FDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2c(c1)OC(F)(F)O2 6119952 BJFOLRLVYSXAFB-UHFFFAOYSA-N 353.237 1.717 5 40 FDBB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccco1 10331030 ZVJGWZGFAZPIQJ-ZDUSSCGKSA-N 364.333 1.685 5 40 FDBB COC(=O)c1cc(NC(=O)NCc2nnc3ccccn23)cc([N+](=O)[O-])c1 72309688 AVUOHVRUXCPJED-UHFFFAOYSA-N 370.325 1.746 5 40 FDBB CC(C)[C@@H](C)NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260903642 PSKFSYOAZDNWIP-NEPJUHHUSA-N 357.432 1.910 5 40 FDBB O=C(NCCNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 1794689 AOMVYHSWEVDVQE-UHFFFAOYSA-N 358.310 1.663 5 40 FDBB NC(=O)C1CCN(CC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 9067066 KKFQAURRAKPJIO-UHFFFAOYSA-N 363.399 1.340 5 40 FDBB CCOCCCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 17401512 STYOIQKDTAAZED-UHFFFAOYSA-N 360.370 1.606 5 40 FDBB COC(=O)[C@H](C(C)=O)[C@@H](c1cccc([N+](=O)[O-])c1)[C@H](C(C)=O)C(=O)OC 248317831 NRZGJFOHXKPBOS-QDMKHBRRSA-N 365.338 1.435 5 40 FDBB in-vitro CC(C)[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])C(=O)N1CCOCC1 79109216 YESSYBHQBFWUCM-SNVBAGLBSA-N 353.404 1.599 5 40 FDBB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 25059770 SIKVPJSRRJHGNN-CJNGLKHVSA-N 364.402 1.454 5 40 FDBB C[N+]1(CC2CC2)[C@@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]12 100491410 QVVOZYKELHAIPX-PCKVIRMASA-N 358.458 1.843 5 40 FDBB CCOC(=O)[C@H]1CSCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] 58163321 PEPVDBAEKRANIB-CYBMUJFWSA-N 367.427 1.822 5 40 FDBB CCC[C@@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 408549005 VOQYZLLXRYJXON-LLVKDONJSA-N 373.431 1.674 5 40 FDBB O=[N+]([O-])c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)N2CCCC2)c1 8745236 LCPCKUVCFDEWTK-ZDUSSCGKSA-N 355.416 1.970 5 40 FDBB COc1ncccc1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 79071454 PJKQWTVIXMHCIR-QGZVFWFLSA-N 356.338 1.966 5 40 FDBB C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 14098548 WBDUVTHNEGSLGX-CHWSQXEVSA-N 371.459 1.761 5 40 FDBB COCCCN[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)O 39880732 GHYRKXRRDAUHOO-LBPRGKRZSA-N 359.766 1.656 5 40 FDBB Cc1nn(CC(=O)NCCN2CCc3ccccc3C2)c(C)c1[N+](=O)[O-] 30319865 DCUQBJGOLYQBGN-UHFFFAOYSA-N 357.414 1.583 5 40 FDBB COC(=O)c1nscc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 79075822 PYVPVJYHPGNLBD-UHFFFAOYSA-N 373.368 1.647 5 40 FDBB CN(C[C@@H]1COc2ccccc2O1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] 12900800 KUPFRUISXBNBIB-GFCCVEGCSA-N 368.349 1.879 5 40 FDBB Cc1ccc(OCC(=O)NCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])n1 8687561 SNXXXRUAQQUSAA-UHFFFAOYSA-N 362.317 1.571 5 40 FDBB O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 70461914 AEWZCDDTUWTGJX-UHFFFAOYSA-N 368.353 1.731 5 40 FDBB Cc1ccc(OCC(=O)NC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])n1 4961258 GUFINAMRVOIODQ-LBPRGKRZSA-N 359.338 1.633 5 40 FDBB CCOC(=O)C1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 6891698 PANZCADXQFMMJU-OAHLLOKOSA-N 352.387 1.610 5 40 FDBB C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCCCCC3)n2)C[C@H](C)O1 5249704 PKEVPEIEKQYAHK-RYUDHWBXSA-N 350.423 1.961 5 40 FDBB O=C(OC[C@@H](CO)n1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 1401227 WSXZTZLURVIGPS-CYBMUJFWSA-N 352.730 1.800 5 40 FDBB Cc1noc([C@@H]2CCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)n1 89721066 IHLOTGCWXHLAPU-CYBMUJFWSA-N 366.399 1.996 5 40 FDBB COc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113877989 ZGMTVQSTHHMZHR-UHFFFAOYSA-N 366.351 1.883 5 40 FDBB COc1cccc(-n2ccc3nc4ccn(N(C)C)c(=O)c4cc3c2=O)c1 40398694 WKHKVXDWCWGQKE-UHFFFAOYSA-N 362.389 1.907 5 40 FDBB Cc1cccc(N2CCN(CCNC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 47458935 TYPPHSAFUPGEJN-UHFFFAOYSA-N 372.429 1.038 5 40 FDBB Nc1nc(NCCN2CCOCC2)nc(NCc2ccccc2)c1[N+](=O)[O-] 20331094 VVJFWXZNIWIOGM-UHFFFAOYSA-N 373.417 1.323 5 40 FDBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 14162907 RFGMMIIJMZSGAZ-LSDHHAIUSA-N 374.397 1.787 5 40 FDBB O=C(NCC(CNCc1ccccc1)([N+](=O)[O-])[N+](=O)[O-])c1ccccc1 19322462 YAWJIOAPXLSQSI-UHFFFAOYSA-N 358.354 1.456 5 40 FDBB CC(C)NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 9762706 JLUQIBOBJLBFNT-WDEREUQCSA-N 351.359 1.169 5 40 FDBB O=C(CCN1CCN(c2cnccn2)CC1)Nc1cc([N+](=O)[O-])ccc1F 96012939 UXXWILSTSDZFMU-UHFFFAOYSA-N 374.376 1.675 5 40 FDBB CCNc1ccc(C(=O)OCC(=O)NC(=O)NCC(C)C)cc1[N+](=O)[O-] 6711535 FXIKKHFEJJIMBK-UHFFFAOYSA-N 366.374 1.665 5 40 FDBB COC(=O)c1cc(C(=O)OCC(=O)N2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 5702563 MWPKTTYCQQFYFF-LLVKDONJSA-N 364.354 1.797 5 40 FDBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 408626445 HJCRVYAUMBPLHO-UHFFFAOYSA-N 374.378 1.997 5 40 FDBB CCOC(=O)CCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 48285921 ALZRUXIYNQOREW-UHFFFAOYSA-N 372.399 1.710 5 40 FDBB O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F 3257141 NPNQEYPMBBQGOI-HUUCEWRRSA-N 352.293 1.697 5 40 FDBB CCN(CC(=O)NCc1cccs1)c1ccc(C(N)=O)cc1[N+](=O)[O-] 6831137 PLUISPHFLTWKRE-UHFFFAOYSA-N 362.411 1.898 5 40 FDBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N1CCOCC1)n1ccccc1=O 199403753 DOAWUBDWJXTVJR-INIZCTEOSA-N 371.349 1.039 5 40 FDBB Nc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](NCc1ccccc1)C(=O)O 65090349 OUTXRUAQSRWVDJ-HNNXBMFYSA-N 358.354 1.749 5 40 FDBB CC(C)(C(N)=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 75103782 XDJAZEKMMQXVHJ-UHFFFAOYSA-N 369.809 1.662 5 40 FDBB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 408733755 PUQHQMNCOMMJQR-MPTQWLOMSA-N 364.741 1.444 5 40 FDBB COC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 408549765 YPXZGXJBKMCYFR-JYRVWZFOSA-N 371.305 1.921 5 40 FDBB O=C(O)CN1C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 408590464 GYJZSNHMTUBHFU-KPKJPENVSA-N 357.278 1.832 5 40 FDBB C/C=C1\C[N+]2(C)[C@@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@H](O)[C@]4(C[C@H]12)c1ccccc1N[C@@H]34 217395056 CZPDTQCCDJQAJE-VKDXONLISA-N 367.469 1.820 5 40 FDBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1 15973614 RWTCJPLWROJXGQ-GFCCVEGCSA-N 350.352 1.713 5 40 FDBB C[C@]1(C2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)NC(=O)NC1=O 72312262 DPVFYWXWOLTINE-GOSISDBHSA-N 369.381 1.958 5 40 FDBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O 5370462 RBWSOEDPAYQUNI-CYBMUJFWSA-N 358.354 1.157 5 40 FDBB Cc1cc(C)n(CCCNC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)n1 2730147 ZPHBCIKXLADKQS-UHFFFAOYSA-N 354.798 1.855 5 40 FDBB O=[N+]([O-])c1ccc(N2CCC(NS(=O)(=O)c3cccs3)CC2)nc1 30772723 ZEQFEVAKFIQTBH-UHFFFAOYSA-N 368.440 1.999 5 40 FDBB CNc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1[N+](=O)[O-] 105631549 WWDDZWDUAXGDRW-MICXRRPDSA-N 371.374 1.472 5 40 FDBB COC(=O)c1cc(C(=O)OCC(=O)NCC(F)(F)F)cc([N+](=O)[O-])c1 3490106 NYEUQMLYLCUNFV-UHFFFAOYSA-N 364.232 1.217 5 40 FDBB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 409282231 GKMHOZICUIGUIN-BASYENTBSA-N 372.333 1.279 5 40 FDBB Cc1cc(OCC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)ccc1[N+](=O)[O-] 29444027 RNYZIZHVRRNQQE-INIZCTEOSA-N 371.349 1.562 5 40 FDBB CNc1ccc(/C=C2/C(=O)Nc3ccc(S(N)(=O)=O)cc32)cc1[N+](=O)[O-] 40114044 QSVJABFBKGKDIR-WUXMJOGZSA-N 374.378 1.777 5 40 FDBB O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cn1cc([N+](=O)[O-])cn1 36614736 VQJGPEMSBIECCZ-UHFFFAOYSA-N 355.289 1.332 5 40 FDBB COc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1[N+](=O)[O-] 2645831 BUZNYGNHJLIJBW-UHFFFAOYSA-N 356.294 1.523 5 40 FDBB COc1cc(/C=C2\NC(=O)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 408737228 APNNOAVSLVRGMQ-WDZFZDKYSA-N 356.294 1.971 5 40 FDBB O=[N+]([O-])c1c(-c2n[nH]c(-c3cn[nH]c3)c2[N+](=O)[O-])n[nH]c1-c1cn[nH]c1 16383438 LHTOAAGOSOXVSY-UHFFFAOYSA-N 356.262 1.396 5 40 FDBB O=[N+]([O-])c1c(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)nc2sccn12 24204467 ISHDIFLYDNCPFW-VXGBXAGGSA-N 367.431 1.453 5 40 FDBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)O 102653310 RBHBEWQWGSWVRQ-HYXAFXHYSA-N 363.282 1.026 5 40 FDBB CCOC(=O)N1CCC(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 24471262 YXWIIBRRUNRCGM-UHFFFAOYSA-N 351.359 1.954 5 40 FDBB CCCCN1C(=O)C(=O)N(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)C1=O 24655225 LXEFHHHIKOFGKF-LLVKDONJSA-N 360.370 1.894 5 40 FDBB CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C2CCCC2)c1=N 102622262 AHDFYBOONLRRPC-UHFFFAOYSA-N 351.410 1.912 5 40 FDBB Cc1c(CS(=O)(=O)CCC(=O)N2CCOCC2)cccc1[N+](=O)[O-] 48251412 XQLGGWBMGRNRBA-UHFFFAOYSA-N 356.400 1.067 5 40 FDBB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1nc2ccc([N+](=O)[O-])cc2s1 4392390 ZOXCDOSTOOUXHT-QMMMGPOBSA-N 355.397 1.968 5 40 FDBB O=C(CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1ccc([N+](=O)[O-])cc1 35325302 FDOYPGUBVMTRDR-KGLIPLIRSA-N 368.393 1.814 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 250913882 FBBKEDDXBFTNIH-DPDCMNJDSA-N 355.350 1.649 5 40 FDBB COCCn1/c(=N/C(=O)C2=COCCO2)sc2cc([N+](=O)[O-])ccc21 100872721 ODWTZMMBUPOIDY-NXVVXOECSA-N 365.367 1.573 5 40 FDBB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccccc1[N+](=O)[O-] 10453760 IJZPTFTYXVZONY-CQSZACIVSA-N 358.350 1.874 5 40 FDBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(S(N)(=O)=O)cc1 6784882 GLHCZZJIOBLMGA-QMMMGPOBSA-N 355.397 1.795 5 40 FDBB C[C@@H](O)CNc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] 8177664 MEBCFPHIGHVJIN-VXGBXAGGSA-N 357.432 1.808 5 40 FDBB CCOC(=O)[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 75110660 NOSKYKMNSWFOOT-QMMMGPOBSA-N 350.780 1.820 5 40 FDBB CCn1nc(C)c(S(=O)(=O)NCCCn2nc([N+](=O)[O-])cc2C)c1C 36614554 BLFUSOQWZKOPGR-UHFFFAOYSA-N 370.435 1.302 5 40 FDBB O=C1c2ccccc2C(=O)N1n1c(Cc2ccc([N+](=O)[O-])cc2)n[nH]c1=O 1647281 HNMOOPYGKBXUCL-UHFFFAOYSA-N 365.305 1.003 5 40 FDBB CC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 4307562 YGEIJCJOVGUAIT-GOSISDBHSA-N 374.397 1.620 5 40 FDBB O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N1CCO[C@H]2CCCC[C@H]21 54917507 FQEICWGOUWAQGJ-MNOVXSKESA-N 373.207 1.724 5 40 FDBB CCOC(=O)N[C@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 48287944 OKRHUNQJLYWMOW-NSHDSACASA-N 364.358 1.671 5 40 FDBB O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC(=O)N(c2ccccc2)C1 84549341 UHZLRRAPYZPAIL-ZDUSSCGKSA-N 355.350 1.895 5 40 FDBB O=C(CCCNc1ccccc1[N+](=O)[O-])N1CCN(c2ncccn2)CC1 8747393 SQPOUAPZEHRMLN-UHFFFAOYSA-N 370.413 1.926 5 40 FDBB COC(=O)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 9653569 FAIXQJZJFICGAG-MRXNPFEDSA-N 372.333 1.941 5 40 FDBB Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CN(C)c1ncccn1 40072737 MHBUZAGAZPGLGT-UHFFFAOYSA-N 359.342 1.311 5 40 FDBB C[C@H]1CCc2c(sc(NC(=O)c3c([N+](=O)[O-])cnn3C)c2C(N)=O)C1 2744963 CMKLTUQPWOGRGS-ZETCQYMHSA-N 363.399 1.866 5 40 FDBB Cc1nn(CC(=O)OCc2cc(=O)oc3cc(O)ccc23)c(C)c1[N+](=O)[O-] 6053850 JYPVXKBMTCMKTR-UHFFFAOYSA-N 373.321 1.964 5 40 FDBB O=C([C@H]1CCCO1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 5930727 DHOQNKBXGSISTB-QGZVFWFLSA-N 356.382 1.971 5 40 FDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC2(C1)OCCO2 89429307 JONQUWBPEUGWOB-UHFFFAOYSA-N 358.372 1.131 5 40 FDBB O=C(O)CNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 4891591 DNAOREXTJBCPCP-WQLSENKSSA-N 359.294 1.160 5 40 FDBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2C(=O)CNC2=O)c1 46360726 CZIRNRQHCAFIGM-UHFFFAOYSA-N 368.349 1.828 5 40 FDBB Cc1nn(Cc2ccc(C(=O)N3CCN4CCC[C@H]4C3)o2)c(C)c1[N+](=O)[O-] 2776887 MROJLOQJLOSFEV-AWEZNQCLSA-N 373.413 1.970 5 40 FDBB O=C1NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C12CC2 4380276 VXATYHIRCKFCEU-GIFSMMMISA-N 370.321 1.709 5 40 FDBB CCOC(=O)N1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 16088715 PUSZRAKKOVXFQF-UHFFFAOYSA-N 371.415 1.802 5 40 FDBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccc(O)cc2)CC1 3330938 NDKADJSDLSZYAS-UHFFFAOYSA-N 363.395 1.811 5 40 FDBB CCOc1ccc(NC(=O)COC(=O)c2cnc(C)cn2)c([N+](=O)[O-])c1 4947617 XOIYDXOZBQRXGF-UHFFFAOYSA-N 360.326 1.887 5 40 FDBB COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 6553046 GNVGVXONLQLEIK-UHFFFAOYSA-N 362.791 1.822 5 40 FDBB CN(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 57011241 GKLZJSAFWFRVSE-OAHLLOKOSA-N 350.400 1.571 5 40 FDBB COC(=O)CSc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 225210937 WMGOXTDWCPIFEU-UHFFFAOYSA-N 368.396 1.893 5 40 FDBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)OCO2 3234710 YCEYHTDSPKGTLO-UHFFFAOYSA-N 358.306 1.797 5 40 FDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@](C)(C(N)=O)c1ccccc1 58158628 ZDPKQSJZCGJNEW-MRXNPFEDSA-N 363.395 1.582 5 40 FDBB COc1ccc(NC(=O)NCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 26225218 FHFGNDVLBKHTGE-VXGBXAGGSA-N 352.391 1.834 5 40 FDBB Cc1cc(=O)c(C(=O)NCc2ccco2)nn1-c1ccccc1[N+](=O)[O-] 7752544 ZWFXMMTWNNBNHN-UHFFFAOYSA-N 354.322 1.972 5 40 FDBB NS(=O)(=O)c1ccc(Oc2nccc(C(F)(F)F)n2)c([N+](=O)[O-])c1 12899525 YGGXMVXCZRZZBY-UHFFFAOYSA-N 364.261 1.843 5 40 FDBB O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2[nH]ccc2c1 92518752 PGQUMXAYGPYUMW-SJORKVTESA-N 355.350 1.900 5 40 FDBB COc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)c([N+](=O)[O-])c1 6608272 LQHPVZMOMNTBRJ-UHFFFAOYSA-N 354.322 1.952 5 40 FDBB Cc1c(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cccc1[N+](=O)[O-] 40123146 UAFKRLNKTRVNJG-UHFFFAOYSA-N 363.761 1.352 5 40 FDBB C[N@+]12CCCC[C@@H]1[C@@H](COC(=O)CCN1C(=O)CCCC1=O)CCC2 585162702 MXTICUPLUWLWFN-WHSLLNHNSA-N 351.467 1.868 5 40 FDBB COC(=O)[C@H](C(C)=O)C(c1cccc([N+](=O)[O-])c1)[C@@H](C(C)=O)C(=O)OC 3173741 NRZGJFOHXKPBOS-ZIAGYGMSSA-N 365.338 1.435 5 40 FDBB in-vitro O=c1[nH]c(N2CCOCC2)nc2nccc(-c3ccc([N+](=O)[O-])cc3)c12 20635630 JSHMABLBVGJBTB-UHFFFAOYSA-N 353.338 1.730 5 40 FDBB CC(=O)N[C@H](CS[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2)C(=O)O 2667969 MXLWGGRCQUQVFM-ZWNOBZJWSA-N 356.356 1.056 5 40 FDBB CCOCCCn1c(=N)c(C(=O)NC)cc2c(=O)n3cc(C)ccc3nc21 16742603 OUTFVCYKXMFWAI-UHFFFAOYSA-N 369.425 1.223 5 40 FDBB CC(=O)OCCOc1cc(OCCOC(C)=O)c([N+](=O)[O-])cc1[N+](=O)[O-] 4265546 AEQRDOBTXXKIFW-UHFFFAOYSA-N 372.286 1.387 5 40 FDBB biogenic CSc1nnc(C)n1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 34716534 PKJINUFXPWMNAR-UHFFFAOYSA-N 352.401 1.475 5 40 FDBB O=[N+]([O-])c1cnn(Cc2nc3c4cnn(-c5ccccc5)c4ncn3n2)c1 2808931 OZPGCSLKMYGOTJ-UHFFFAOYSA-N 361.325 1.616 5 40 FDBB CC(C)(CNC(=O)CN1CCc2c1cccc2[N+](=O)[O-])N1CCOCC1 89761745 ICRFTYMAHAFTPC-UHFFFAOYSA-N 362.430 1.184 5 40 FDBB CCN(CC)CCOC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104339567 OHQDSPYQGAWYID-UHFFFAOYSA-N 356.291 1.910 5 40 FDBB Nc1nc(NCCOCCO)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] 4306352 GVZWHHSRIGVNCT-UHFFFAOYSA-N 352.326 1.271 5 40 FDBB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1 3437699 RVWNKRUIMTZDNR-UHFFFAOYSA-N 355.353 1.612 5 40 FDBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2CC12C(=O)N(C)C(=O)N(C)C2=O 5422410 NWQNWXWBMIGYNM-AWEZNQCLSA-N 374.397 1.793 5 40 FDBB C[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OCCO2 19913862 MWDYMEYCEUSQDN-ZDUSSCGKSA-N 370.427 1.596 5 40 FDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCC[C@H](O)C1 23709359 LOFWGSJVWQHECY-ZDUSSCGKSA-N 369.443 1.731 5 40 FDBB CN(C(=O)CN1CCN(c2nccs2)CC1)c1ccc([N+](=O)[O-])cc1 35268832 ZWOFMDUKSZDHGY-UHFFFAOYSA-N 361.427 1.836 5 40 FDBB C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)CCN1 4807948 VNFBEBCTJJHBOE-JTQLQIEISA-N 372.381 1.741 5 40 FDBB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1cccc([N+](=O)[O-])c1 102129722 QOFRRFCDDQFZOX-GJZGRUSLSA-N 358.350 1.979 5 40 FDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1ccon1 10125108 FVUIHUHHMGUVTG-UHFFFAOYSA-N 360.326 1.979 5 40 FDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(NC(=O)C2CC2)CC1 56056039 LJKFBXKGIRNASY-UHFFFAOYSA-N 367.427 1.583 5 40 FDBB CCCCCNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10336423 XNYIHHHDLIATCW-UHFFFAOYSA-N 357.432 1.976 5 40 FDBB CCOC(=O)[C@H]1C(=O)N=C(N2CCCCC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 14162904 RFGMMIIJMZSGAZ-HUUCEWRRSA-N 374.397 1.787 5 40 FDBB CC(=O)C[C@H]1COCCN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C 96008974 IEULTMZBIJXNFN-AWEZNQCLSA-N 356.400 1.580 5 40 FDBB Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(C)c3nc12 100871226 ACECHPDWCVOOBU-UHFFFAOYSA-N 374.404 1.299 5 40 FDBB CN1CCN(c2ccc(C(=O)NCCc3ccco3)cc2[N+](=O)[O-])CC1 8720836 BHSQOXHNIKOLQG-UHFFFAOYSA-N 358.398 1.912 5 40 FDBB CN1CCN(c2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3)ccn2)CC1 47398294 RCJUFACLZFJQHC-UHFFFAOYSA-N 355.398 1.672 5 40 FDBB CN(C(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 3256698 FGHSIDDQJALYEN-UHFFFAOYSA-N 371.349 1.531 5 40 FDBB CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 26819024 GUZZHTRBHDIXNV-GFCCVEGCSA-N 374.440 1.572 5 40 FDBB CC(=O)c1ccc(Nc2ccc(N3CCNC(=O)C3)nc2)c([N+](=O)[O-])c1 29621504 NXEOMBRHADLYSJ-UHFFFAOYSA-N 355.354 1.872 5 40 FDBB C[C@H](C(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F)n1cc([N+](=O)[O-])cn1 6524199 OQBTYYNLAVAYNZ-BLTYZCFWSA-N 353.232 1.159 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(c2nccn2C)CC1 84041501 XWBDRSWAKBPMLU-UHFFFAOYSA-N 365.415 1.148 5 40 FDBB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 5865549 NMPSTQXDSNEPID-UHFFFAOYSA-N 371.349 1.815 5 40 FDBB aggregator O=C(CCNC(=O)Cc1ccccc1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 21330356 ZPWQOLMDBPHBTA-QGZVFWFLSA-N 371.393 1.493 5 40 FDBB Cc1cc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)ccc1[N+](=O)[O-] 23076497 FARLCRFEQIVDRI-UHFFFAOYSA-N 370.321 1.868 5 40 FDBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CC(=O)Nc2ccccc21 6290501 UPPZMGFQECTKTH-UHFFFAOYSA-N 357.322 1.968 5 40 FDBB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)cc1[N+](=O)[O-] 72309794 YUXWRFVBGOTWMF-CQSZACIVSA-N 362.386 1.758 5 40 FDBB Cc1ccc(NC(=O)C[C@H](NCc2cccnc2)C(=O)O)c([N+](=O)[O-])c1 39880950 LPJOKFWEWSDHER-AWEZNQCLSA-N 358.354 1.870 5 40 FDBB Cc1nn(CC(=O)OCN2C(=O)c3ccccc3C2=O)c(C)c1[N+](=O)[O-] 3441292 GOFIWAKWPFRGQB-UHFFFAOYSA-N 358.310 1.205 5 40 FDBB CCOC(=O)C1=C(COc2cc(F)ccc2[N+](=O)[O-])NC(=O)N[C@@H]1C 5994339 RLOUAFDCJLXFGW-MRVPVSSYSA-N 353.306 1.631 5 40 FDBB CC(C)(C)NS(=O)(=O)c1ccc(N2CCC[C@H](O)C2)c([N+](=O)[O-])c1 8149524 RHXHPDPXVHXXEJ-NSHDSACASA-N 357.432 1.633 5 40 FDBB COc1cc(OC)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 19994421 XAQVOJZHHKQTCU-UHFFFAOYSA-N 372.381 1.969 5 40 FDBB CCCc1cc(=O)nc(-n2nc(C)cc2NC(=O)c2ccc([N+](=O)[O-])o2)[nH]1 9660384 ADBDCQDXMORCSN-UHFFFAOYSA-N 372.341 1.970 5 40 FDBB CCOCCCn1c(=N)c(C(=O)OC)cc2c(=O)n3cccc(C)c3nc21 100894565 PVERQYSXWWUBHI-UHFFFAOYSA-N 370.409 1.650 5 40 FDBB Cc1cc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])cc1C 12990185 BAYCTNAWLFTHJU-UHFFFAOYSA-N 360.414 1.704 5 40 FDBB NS(=O)(=O)c1ccc(F)c(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 25029502 ZGCULIRPCYYCLS-UHFFFAOYSA-N 354.315 1.738 5 40 FDBB CCS(=O)(=O)c1ccc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 15443267 IXDCEECUTHVXMF-UHFFFAOYSA-N 356.400 1.732 5 40 FDBB Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 32932035 QMGQFZUEDNFINB-ZIAGYGMSSA-N 367.427 1.773 5 40 FDBB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 245380185 SNVLJRBUBUBHBJ-MUAIWGBPSA-N 370.321 1.883 5 40 FDBB COC(=O)C[S@](=O)c1ccc([S@](=O)C(F)(F)F)cc1[N+](=O)[O-] 5742533 VJEMWQKKPSCXAY-FGZHOGPDSA-N 359.303 1.503 5 40 FDBB CNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(C)cc2)c1=N 100631369 STUSDNISOSHHKS-UHFFFAOYSA-N 373.416 1.845 5 40 FDBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@H]2CCS(=O)(=O)C2)n1 57682795 RJJZLZPJAKWZAC-ZDUSSCGKSA-N 364.383 1.712 5 40 FDBB Cc1nn(CCC(=O)NCc2nnc3n2CCCCC3)c(C)c1[N+](=O)[O-] 58332187 LREIMRYKHDAHIT-UHFFFAOYSA-N 361.406 1.433 5 40 FDBB CC(C)NC(=O)CN1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 28988799 YTHQJYODKMCZQO-UHFFFAOYSA-N 363.418 1.659 5 40 FDBB C[C@@]1(c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)NC(=O)NC1=O 40118479 QMQCACUPFYTFPY-KRWDZBQOSA-N 354.322 1.902 5 40 FDBB CC(=O)N[C@@H](OCCn1c([N+](=O)[O-])cnc1C)C(Cl)(Cl)Cl 3066271 YJXAFGLNHPMOQQ-VIFPVBQESA-N 359.597 1.949 5 40 FDBB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N1 9926900 PKJOMPSURPXUOA-NWDGAFQWSA-N 367.383 1.087 5 40 FDBB CN(C(=O)CCn1nnc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 58520463 YYDSCDNNJWYVGG-UHFFFAOYSA-N 353.338 1.753 5 40 FDBB O=C(Nc1cnn(CCN2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F 103100705 DBXDRWRXLHZWMW-UHFFFAOYSA-N 363.349 1.515 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CN2CCC[C@@H]2CO1 58137361 SVBUVZYMOLKUJD-OLZOCXBDSA-N 355.416 1.045 5 40 FDBB O=C(NC[C@H]1COc2ccccc2O1)c1cc2c(cc1[N+](=O)[O-])OCCO2 57584945 KZMWGEOZSGWOJK-NSHDSACASA-N 372.333 1.936 5 40 FDBB N=C(N)Nn1ccc2cc3ccn(Cc4ccccn4)c(=O)c3cc2c1=O 95115690 DDMWNEWZJJPMHH-UHFFFAOYSA-N 360.377 1.197 5 40 FDBB CN1C(C)(C)CC(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1(C)C 4127185 APEGJOGEWURJCY-UHFFFAOYSA-N 350.419 1.524 5 40 FDBB CN1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C(N)=O)C1 4087213 AZIFLKKAEAXHHW-UHFFFAOYSA-N 350.356 1.588 5 40 FDBB O=C(Nc1ccc2c(c1)OCO2)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 2787840 RYTWDBUUGBKQAS-UHFFFAOYSA-N 356.298 1.475 5 40 FDBB NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4747591 AJSKJNNVWYLXGZ-UHFFFAOYSA-N 370.365 1.783 5 40 FDBB COC(=O)C[C@H]1CCCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 89400661 ZBJDDNKPLSRIFQ-LLVKDONJSA-N 356.400 1.920 5 40 FDBB CC(C)C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 41157896 MMTFGJFXCGKQIT-CYBMUJFWSA-N 351.359 1.330 5 40 FDBB CCn1nnc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 5250446 IQBUUWJYNXIWGL-UHFFFAOYSA-N 354.374 1.476 5 40 FDBB Cc1cccc2nc(Cn3cc(Br)c([N+](=O)[O-])n3)cc(=O)n12 54919485 ZVYDBOJKSPCAED-UHFFFAOYSA-N 364.159 1.918 5 40 FDBB CC(C)C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 41157894 MMTFGJFXCGKQIT-ZDUSSCGKSA-N 351.359 1.330 5 40 FDBB Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 24082236 JYSIWWVOXFISJK-UHFFFAOYSA-N 362.411 1.809 5 40 FDBB in-vivo CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1[N+](=O)[O-] 8745833 AVSCSAJQLYUJPK-UHFFFAOYSA-N 363.395 1.574 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100099771 LLTSLMNGOZCWGI-BETUJISGSA-N 373.365 1.883 5 40 FDBB COC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(N2CCNC(=O)C2)nc1 29621491 FEAYUJGADXKRSR-UHFFFAOYSA-N 371.353 1.456 5 40 FDBB COc1ccc(NC(C)=O)c(NS(=O)(=O)c2cn(C)nc2[N+](=O)[O-])c1 89265514 NNQYCXNZLPSRQD-UHFFFAOYSA-N 369.359 1.096 5 40 FDBB COc1cc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc(OC)c1OC 72332113 FQSNQMTWBDHUOT-UHFFFAOYSA-N 350.331 1.764 5 40 FDBB C[C@H]1C[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 48306436 YEMRSNPHTJVILO-BBRMVZONSA-N 360.414 1.406 5 40 FDBB Cc1cccc(OC[C@@H](O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 7205186 SGYMCSLNOWSVKP-LBPRGKRZSA-N 356.334 1.939 5 40 FDBB O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1cccc([N+](=O)[O-])c1 408651603 GXWPRCASFBTMGX-MBTONNPTSA-N 360.322 1.274 5 40 FDBB CN1C(=O)c2ccc(NC(=O)CNc3cccc([N+](=O)[O-])c3)cc2C1=O 30284877 DFCJBYYKNUMUGR-UHFFFAOYSA-N 354.322 1.871 5 40 FDBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC(=O)N1CCc2ccccc21 3228587 MGOCBELUJYSRDK-UHFFFAOYSA-N 351.318 1.780 5 40 FDBB CCCNC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 5436770 CSNSIWGJNDADCA-UHFFFAOYSA-N 352.347 1.053 5 40 FDBB CC(C)NC(=O)CN1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 32777831 CVNACZPPZYBPCD-UHFFFAOYSA-N 366.447 1.341 5 40 FDBB O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 138157766 VDMLSIPPOUVVJS-IWDIQUIJSA-N 365.139 1.800 5 40 FDBB O=C(N/C(=C\c1ccco1)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 2065392 FRQUCQBNLSNGRX-VBKFSLOCSA-N 371.349 1.818 5 40 FDBB COc1ccc(NC(=O)NCC(C)(C)N2CCOCC2)c([N+](=O)[O-])c1 32895443 BVBUDPDPEYUUJS-UHFFFAOYSA-N 352.391 1.836 5 40 FDBB CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 12693974 VNWGLMFLSGFPFC-UHFFFAOYSA-N 357.432 1.701 5 40 FDBB CCOC(=O)N1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 36321649 GSAVGJRGMAWBSZ-UHFFFAOYSA-N 370.793 1.961 5 40 FDBB O=C1[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 229800694 RBJOPGJGKFHFCD-YXMPFFBPSA-N 350.714 1.054 5 40 FDBB O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1)c1ccco1 4976776 SVAJHNUFWYCBSS-QINSGFPZSA-N 371.349 1.818 5 40 FDBB Cc1nn(Cc2ccc(C(=O)N3CCN4CCC[C@@H]4C3)o2)c(C)c1[N+](=O)[O-] 2776888 MROJLOQJLOSFEV-CQSZACIVSA-N 373.413 1.970 5 40 FDBB COc1cc(NC(=O)CSc2nccc(=O)[nH]2)c(C)cc1[N+](=O)[O-] 13865350 OFWKFPULXOUAOV-UHFFFAOYSA-N 350.356 1.726 5 40 FDBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O 4307570 NCRSAZAOXPMOPG-KRWDZBQOSA-N 360.370 1.374 5 40 FDBB Nc1nc(C(=O)Nc2cc(Br)c[nH]c2=O)ccc1[N+](=O)[O-] 95468833 HWFUVPOREXSZKC-UHFFFAOYSA-N 354.120 1.275 5 40 FDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1C1OCCO1 60348765 RXOJPUPNDWZDFX-GFCCVEGCSA-N 372.399 1.520 5 40 FDBB CC(=O)c1ccc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c([N+](=O)[O-])c1 24203832 MVOGZCLZTBTQIK-CRAIPNDOSA-N 363.414 1.947 5 40 FDBB CS(=O)(=O)c1ccc(F)c(NC(=O)CCn2cnc([N+](=O)[O-])c2)c1 24931061 GIYJPYOGISEUCQ-UHFFFAOYSA-N 356.335 1.363 5 40 FDBB CC[C@@H](C)NC(=O)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 89942282 KIAAQHYYQKANIU-SNVBAGLBSA-N 360.370 1.471 5 40 FDBB Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408551273 HCPABNWQYFKROE-UHFFFAOYSA-N 356.338 1.597 5 40 FDBB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1 14165526 FKQRKUGGFOIVIV-RYUDHWBXSA-N 367.383 1.087 5 40 FDBB O=C(O[C@H]1CN2CCC1CC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8993400 QWLPLHFWYYYWKP-KRWDZBQOSA-N 360.414 1.948 5 40 FDBB CCN1C(=O)N/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 9324511 FUZRIPWSQQYLHF-XBXARRHUSA-N 356.132 1.976 5 40 FDBB CCc1ccc(C(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] 83825322 QOEGRONDUFWQFV-UHFFFAOYSA-N 362.430 1.393 5 40 FDBB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2[N+](=O)[O-])cc1 13012860 ZAEQLTUJYMNEKH-UHFFFAOYSA-N 363.395 1.612 5 40 FDBB CN1CCN(S(=O)(=O)c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)CC1 34859015 COPRZYIFFQBHSZ-UHFFFAOYSA-N 368.459 1.885 5 40 FDBB NS(=O)(=O)c1ccc(OCc2nnsc2Cl)c([N+](=O)[O-])c1 58573765 YRKLARWAGUZBEB-UHFFFAOYSA-N 350.765 1.326 5 40 FDBB CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)NN=C2C[C@@]1(C)O 102753937 KONHVAPSKTWBQT-QDEZUTFSSA-N 361.354 1.114 5 40 FDBB Cc1cc([N+](=O)[O-])nn1Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 36614635 ZEANIKQYFINLPF-UHFFFAOYSA-N 369.316 1.640 5 40 FDBB O=C1NC(=O)[C@H]2[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)NN2Cc1ccccc1 101942670 LBLBOKPVFMOUGK-ARFHVFGLSA-N 352.350 1.298 5 40 FDBB CC(=O)Nc1ccc(CC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 14245003 CHYRYBMDYJXYBU-KRWDZBQOSA-N 357.366 1.946 5 40 FDBB COCCNC(=O)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 24210409 BBGQEEUJPCUBEQ-UHFFFAOYSA-N 353.404 1.283 5 40 FDBB C[C@@H](O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 15209520 KEAYQLFODCUTSV-GFCCVEGCSA-N 357.432 1.952 5 40 FDBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)NC1CCCC1 6465357 QDMSPJQIIDQUHS-LLVKDONJSA-N 365.386 1.603 5 40 FDBB CCOC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1C 8570152 FYOXWPCJGDCDAN-LBPRGKRZSA-N 361.354 1.815 5 40 FDBB C[C@@H](NC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1)[C@@H]1C[C@H]2CC[C@H]1C2 103026735 SEBGYLOGMMSARR-RHYQMDGZSA-N 360.374 1.777 5 40 FDBB CC(C)CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 8747394 ZRIJMRSJANFSHR-UHFFFAOYSA-N 358.420 1.207 5 40 FDBB C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@H](C)C3)n2)C1 102041288 CTWAXLQFRBYOMA-QJPTWQEYSA-N 350.423 1.817 5 40 FDBB CCOC(=O)CCCNC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 3386478 LXZZNQOSJLUWMQ-UHFFFAOYSA-N 372.761 1.865 5 40 FDBB O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F 3257144 NPNQEYPMBBQGOI-GJZGRUSLSA-N 352.293 1.697 5 40 FDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1 58158627 ZDPKQSJZCGJNEW-INIZCTEOSA-N 363.395 1.582 5 40 FDBB CNS(=O)(=O)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 3301619 PZLNYMVIFWASQT-UHFFFAOYSA-N 350.352 1.860 5 40 FDBB COc1ccc(S(=O)(=O)NC[C@H](C)C(=O)OC(C)C)c([N+](=O)[O-])c1 72307405 FRARPKJSCHCZHX-JTQLQIEISA-N 360.388 1.469 5 40 FDBB COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 36623609 CDNAPOVFWPLTHT-NSHDSACASA-N 353.356 1.275 5 40 FDBB O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(c3nccs3)CC2)c1 24242898 XXDUNVOFRHZYKZ-CQSZACIVSA-N 364.427 1.613 5 40 FDBB O=[N+]([O-])c1nc(Br)n(CCS(=O)(=O)c2ccccc2)n1 2367160 ITBBIFZBNNCJBV-UHFFFAOYSA-N 361.177 1.423 5 40 FDBB CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCN(c2ccccc2)C1=O 89346526 ZIRUFMUPLGNZQN-KRWDZBQOSA-N 370.409 1.884 5 40 FDBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1n1cnnc1 3077652 HFBVDOMASQCODM-UHFFFAOYSA-N 354.238 1.180 5 40 FDBB Cc1cccc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)c1C 7020433 ZAEJOZGEQHMXHG-UHFFFAOYSA-N 370.409 1.722 5 40 FDBB CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H]1C(C)C 4537701 NFTJONSCKYFMHR-HNNXBMFYSA-N 355.416 1.738 5 40 FDBB C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2C(=O)NC[C@@H]2C1 75105989 LGXPTVMXCXQGIZ-ZWNOBZJWSA-N 358.358 1.415 5 40 FDBB Nn1c(SCC(=O)Nc2cccnc2)nnc1-c1ccc([N+](=O)[O-])cc1 27752560 JXPLYEIRFPHTRK-UHFFFAOYSA-N 371.382 1.693 5 40 FDBB Cc1cccc(C(=O)NCCNS(=O)(=O)c2ccccc2)c1[N+](=O)[O-] 12888592 SYSQYHZNAKXCGH-UHFFFAOYSA-N 363.395 1.612 5 40 FDBB COC(=O)[C@@]1([C@@H](C[N+](=O)[O-])c2ccco2)C(=O)NC[C@@H]1c1ccccc1 4311630 VAZFXBUZRINRPN-GLJUWKHASA-N 358.350 1.713 5 40 FDBB COc1ccc(OCCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cc1 12642636 MYBQMOLZSDDOCD-UHFFFAOYSA-N 367.383 1.742 5 40 FDBB COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1ccc(C)c([N+](=O)[O-])c1 8204005 UURAWMBNTYQQJB-CYBMUJFWSA-N 366.370 1.764 5 40 FDBB Cn1cc(/C=C(/C(=O)NCc2ccncc2)n2cc([N+](=O)[O-])cn2)cn1 6828120 BPGJMTBHNSICRQ-UUASQNMZSA-N 353.342 1.234 5 40 FDBB C[C@@H]1CN(c2nc(N3CCCCCC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 4306252 PDAGPHRLABBZTF-VXGBXAGGSA-N 350.423 1.961 5 40 FDBB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])cc1 4747718 LMZQKIHECLYAFK-AWEZNQCLSA-N 362.367 1.626 5 40 FDBB Cc1cc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1[N+](=O)[O-] 24520821 KRLKBQZRWZWPSG-UHFFFAOYSA-N 373.365 1.860 5 40 FDBB Cc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1[N+](=O)[O-] 11385531 AQPJQVRVPZVOMY-UHFFFAOYSA-N 363.370 1.788 5 40 FDBB O=C(C1=NO[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12)c1ccccc1 100355494 JWJIDCDPKNBZNN-CZUORRHYSA-N 365.301 1.722 5 40 FDBB C[C@H]1CN(c2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 13776357 JLOPEXXOVOGYRH-WRWGMCAJSA-N 366.422 1.194 5 40 FDBB COc1cc([N+](=O)[O-])cc(/C=C(/Sc2n[nH]c(C)n2)C(=O)O)c1O 409189819 IXODSSLFWYXCNF-ONNFQVAWSA-N 352.328 1.953 5 40 FDBB Cc1nn(C)c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-] 47330891 HEGXZRJBHGDLMY-UHFFFAOYSA-N 359.386 1.688 5 40 FDBB CCc1cc(=O)nc(-n2nc(C)cc2NC(=O)c2ccc([N+](=O)[O-])o2)[nH]1 9660361 CUFIDVFKNBJNGI-UHFFFAOYSA-N 358.314 1.580 5 40 FDBB O=C1NCCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])[C@H]1c1ccccc1 58172608 XAHFNOPVUBFNOU-AWEZNQCLSA-N 365.349 1.280 5 40 FDBB O=[N+]([O-])c1ccc(CCN2CCN(S(=O)(=O)N3CCCC3)CC2)cc1 52536472 NVQAARKAILIUCR-UHFFFAOYSA-N 368.459 1.096 5 40 FDBB CC(C)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(C)C 4893756 JWRJDPGFMXOEHL-UHFFFAOYSA-N 367.402 1.801 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1-n1ccc2nc(N3CCOCC3)ncc2c1=O 19958773 JUJCNVKBNXCRSF-UHFFFAOYSA-N 367.365 1.834 5 40 FDBB COC(=O)[C@](NNc1ccc([N+](=O)[O-])cc1)(NC(C)=O)C(F)(F)F 4452565 BEQGCYYIABIBCL-LLVKDONJSA-N 350.253 1.079 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O 57985420 QYJCRZKTZFXKDJ-ZDUSSCGKSA-N 363.395 1.278 5 40 FDBB COc1ccc(CNC(=O)CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 58183947 NTEHHDUXALKZKB-UHFFFAOYSA-N 357.366 1.958 5 40 FDBB CC(C)(C(=O)Nn1c(S)nc2ccccc2c1=O)n1cc([N+](=O)[O-])cn1 101719816 VWBYRONMCRNZRA-UHFFFAOYSA-N 374.382 1.295 5 40 FDBB COCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 28498935 VQLZFKHVYQROOP-UHFFFAOYSA-N 359.404 1.064 5 40 FDBB CC(C)NC(=O)[C@H](C)OC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 9762705 JLUQIBOBJLBFNT-MNOVXSKESA-N 351.359 1.169 5 40 FDBB CN(C)C(=O)CCN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 89310407 ZSISKIZBEFYNQY-UHFFFAOYSA-N 363.418 1.659 5 40 FDBB C[N@+]1(CC2CC2)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 584578366 QVVOZYKELHAIPX-XDYUTOOVSA-N 358.458 1.843 5 40 FDBB Cc1nn(CC(=O)NCCN2CCCc3ccccc32)c(C)c1[N+](=O)[O-] 53161658 ZDEFAVMQGHLFOV-UHFFFAOYSA-N 357.414 1.977 5 40 FDBB CCN(C(=O)[C@H](C)Oc1ccc(C)nc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 7166267 ANFFCCKGZSMHFB-NWDGAFQWSA-N 371.415 1.101 5 40 FDBB COCCn1c(=N)c(C(=O)NCC(C)C)cc2c(=O)n3ccccc3nc21 101160751 XOWHTGRSUCKPOZ-UHFFFAOYSA-N 369.425 1.161 5 40 FDBB Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 5885051 UUTZDQWQQRJMQG-UHFFFAOYSA-N 365.729 1.700 5 40 FDBB C/C=C1\C[N+]2(C)[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@H](O)[C@]4(C[C@H]12)c1ccccc1N[C@@H]34 217394896 CZPDTQCCDJQAJE-NYCVWOKUSA-N 367.469 1.820 5 40 FDBB CC[C@H](C)NC(=O)COC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 7555256 MJNXLPNTZGZMJB-YEZKRMTDSA-N 350.327 1.795 5 40 FDBB O=C(OCC(=O)N1CCCC1=O)c1ccc(Br)c([N+](=O)[O-])c1 4800732 FTVNSMRJZUGLHM-UHFFFAOYSA-N 371.143 1.663 5 40 FDBB CC(C)CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 4960628 DTJUYQFKFAQSRK-ZDUSSCGKSA-N 370.427 1.645 5 40 FDBB CC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 22412402 YHZKMHVDRGJQAD-GFCCVEGCSA-N 355.416 1.474 5 40 FDBB CC(=O)NCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 31243913 KGCNCGGKVHRABH-UHFFFAOYSA-N 351.406 1.797 5 40 FDBB CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOCC)c1=N 100811266 CHLGNQCBRGPDNT-UHFFFAOYSA-N 369.425 1.305 5 40 FDBB CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cc(C)ccc3nc21 100627714 IPBWUWHANZEVOF-UHFFFAOYSA-N 369.425 1.223 5 40 FDBB CNS(=O)(=O)c1ccc(NCCCOC[C@@H]2CCCO2)c([N+](=O)[O-])c1 8745685 DIHYURRFCMNYPH-LBPRGKRZSA-N 373.431 1.501 5 40 FDBB COc1cc(CCNC(=O)c2ccc(=O)n(C)c2)c([N+](=O)[O-])cc1OC 48311876 AQYSPEIFPKEWDV-UHFFFAOYSA-N 361.354 1.283 5 40 FDBB CCOC(=O)[C@]1(C)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 89978181 OJLSXKRZFAWYIN-SFHVURJKSA-N 361.398 1.902 5 40 FDBB CC[C@@H](C)NC(=O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 46054399 WFBXJOXGLUCNET-OAHLLOKOSA-N 364.446 1.506 5 40 FDBB COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc([N+](=O)[O-])c1O 20086521 KMIXOKHADKEWIE-LBPRGKRZSA-N 358.310 1.709 5 40 FDBB CN(C)C(=O)CN(Cn1ncc2ccc([N+](=O)[O-])cc21)CC(F)(F)F 54492913 NTEFXWJAYNIAHM-UHFFFAOYSA-N 359.308 1.855 5 40 FDBB CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCN(C)C 8878941 LIZUXWLRQJQLDH-CQSZACIVSA-N 370.837 1.680 5 40 FDBB O=c1/c(=C/c2ccccc2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2 1861892 CDLMXTZPXVYJJJ-SXGWCWSVSA-N 366.402 1.702 5 40 FDBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)C)c([N+](=O)[O-])c1 7989248 RVWAEWCLAMXAAM-UHFFFAOYSA-N 359.404 1.092 5 40 FDBB CC[C@@H](COB(OC[C@@H](CC)[N+](=O)[O-])OC[C@@H](CC)[N+](=O)[O-])[N+](=O)[O-] 195751761 FJUSRQXNIROVNL-UTUOFQBUSA-N 365.148 1.187 5 40 FDBB Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 4625583 OMPBMJHKTFNIJH-UHFFFAOYSA-N 373.369 1.211 5 40 FDBB C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@H](C)C3)n2)C[C@@H](C)O1 5156625 JLOPEXXOVOGYRH-KKOKHZNYSA-N 366.422 1.194 5 40 FDBB Cc1ccc2nc3c(cc(C(N)=O)c(=N)n3CCCOC(C)C)c(=O)n2c1 100758817 RCHWYHIIAZVIEG-UHFFFAOYSA-N 369.425 1.351 5 40 FDBB biogenic O=C(NCC1CC1)[C@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 48279343 NKGXKYIEKISBCR-ZDUSSCGKSA-N 374.397 1.698 5 40 FDBB NC(=O)c1nn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] 4176503 ORCVKIPFHONKIL-UHFFFAOYSA-N 368.231 1.948 5 40 FDBB Cc1cccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)c1[N+](=O)[O-] 58218703 NDIFYOMKHLTROF-GFCCVEGCSA-N 374.349 1.802 5 40 FDBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)N1CCc2ccccc21 2661256 JQLZGUAQVKNJTN-UHFFFAOYSA-N 350.334 1.894 5 40 FDBB CCOC(=O)N1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 9154560 USUYSXSBFDVKRH-UHFFFAOYSA-N 351.359 1.711 5 40 FDBB O=C(NCCCO)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 2271017 NDBZPWHNCLWQNZ-KAMYIIQDSA-N 359.338 1.457 5 40 FDBB Cc1nc2cc(NS(=O)(=O)c3cn(C)nc3[N+](=O)[O-])ccc2n1C 84287077 FKRIGEPIHURMQW-UHFFFAOYSA-N 350.360 1.324 5 40 FDBB Cc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] 9961869 SDNIZDBMCSMOPU-UHFFFAOYSA-N 371.396 1.351 5 40 FDBB COC(=O)CNC(=O)c1ccc(NC[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 72301746 FRDCIAZUFNVUDN-RISCZKNCSA-N 351.359 1.071 5 40 FDBB COc1ccc(OCC(=O)NC(=O)c2ccccc2OC)c([N+](=O)[O-])c1 7441777 AJXPTTQYIHJZIB-UHFFFAOYSA-N 360.322 1.947 5 40 FDBB CCN1CCN(c2nc(N(C)c3ccccc3)nc(N)c2[N+](=O)[O-])CC1 5111670 ZGDSPFBRYIZNRA-UHFFFAOYSA-N 357.418 1.877 5 40 FDBB C[N+]1(C[C@@H](O)COC(=O)CC23CC4CC(CC(C4)C2)C3)CCOCC1 5921174 CNPRMWYZUDQCHM-ZCYBBYNQSA-N 352.495 1.974 5 40 FDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccnc2-n2cccn2)cc1 41627115 NRQVEHQNFMDJCH-UHFFFAOYSA-N 359.367 1.654 5 40 FDBB CCCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n[nH]c1=O 6888233 USZSZUGEUKXJMX-UHFFFAOYSA-N 351.388 1.929 5 40 FDBB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])s1 8726493 CXMFAKIBODYXOD-UHFFFAOYSA-N 369.424 1.837 5 40 FDBB Cn1c(=O)n(C)c2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3)ccc21 51133842 LKVUGYGXWSPKIH-UHFFFAOYSA-N 363.351 1.553 5 40 FDBB Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CN1CCCCCC1=O 5538889 UCODHSHOAWRKRJ-UHFFFAOYSA-N 363.370 1.788 5 40 FDBB C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N1CCNC1=O 32776200 LIULMMLDAQSVPO-JTQLQIEISA-N 363.370 1.989 5 40 FDBB COc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)c([N+](=O)[O-])c1 22473553 VNBOQUYVDDOPBN-UHFFFAOYSA-N 351.340 1.503 5 40 FDBB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc([N+](=O)[O-])o2)cc1 44248383 YRQIECHHUUEFQX-UHFFFAOYSA-N 353.356 1.205 5 40 FDBB Cc1cccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1[N+](=O)[O-] 40090086 MNZUTVBZEJNXFY-GFCCVEGCSA-N 355.416 1.305 5 40 FDBB CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 6119997 QGDIKVITWFDFEK-UHFFFAOYSA-N 356.338 1.520 5 40 FDBB COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 8158365 VOXKRLLRKQMINP-UHFFFAOYSA-N 365.367 1.520 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)c2c1no[n+]2[O-] 61860584 HXSYYCOFWSTFAE-UHFFFAOYSA-N 355.354 1.692 5 40 FDBB C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1 17016655 ZLLQOFBTQIIREK-RNCFNFMXSA-N 358.354 1.108 5 40 FDBB O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 100171978 CXWYULPZGNRRIJ-BJDJZHNGSA-N 365.139 1.800 5 40 FDBB CN(C)C(=O)[C@H]1CN(C(=O)CCn2cnc([N+](=O)[O-])c2)c2ccccc2O1 22967423 UWTZQEHZFSVCDO-CQSZACIVSA-N 373.369 1.064 5 40 FDBB CC1CCN(S(=O)(=O)c2ccc(N(C)CCO)c([N+](=O)[O-])c2)CC1 7814368 WCYMEFPEEPYJIJ-UHFFFAOYSA-N 357.432 1.444 5 40 FDBB CN1C(=O)c2ccc(NC(=O)COc3cc(F)ccc3[N+](=O)[O-])cc2C1=O 25452174 AUPDFZKNZSEYTD-UHFFFAOYSA-N 373.296 1.977 5 40 FDBB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cc(OCC(F)F)cc([N+](=O)[O-])c1 101847550 WUVVJOJHDPVBOU-IMIFBBOLSA-N 368.292 1.906 5 40 FDBB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)N2N1 10152992 DAXNTONVYPGUFA-LBPRGKRZSA-N 358.358 1.158 5 40 FDBB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc([N+](=O)[O-])c(O)c1 11117255 BXCKQWVWUVSEOQ-UHFFFAOYSA-N 358.354 1.462 5 40 FDBB CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O 8995789 DQGQVAGIUNPNRS-RDTXWAMCSA-N 372.381 1.595 5 40 FDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1nnc2ccccn12 79075348 AJHUVFQERCLBNS-UHFFFAOYSA-N 363.355 1.125 5 40 FDBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCn1nnc2ccccc2c1=O 24948054 XGELUGNGGPVKRF-UHFFFAOYSA-N 367.365 1.748 5 40 FDBB C[N+]1(CC2CC2)[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]21 100491413 QVVOZYKELHAIPX-HRGILXIESA-N 358.458 1.843 5 40 FDBB CN(Cc1cnn(C)c1)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 24470194 PISPBPQSCXVXAZ-UHFFFAOYSA-N 359.386 1.437 5 40 FDBB C[C@H](Nc1ccc(S(=O)(=O)NCCC(=O)O)cc1[N+](=O)[O-])C1CC1 9322533 NCNISVXNWYQHTP-VIFPVBQESA-N 357.388 1.558 5 40 FDBB COC(=O)c1cc(N2CCC[C@H](N3CCNC3=O)C2)cc(C)c1[N+](=O)[O-] 75108995 GTGTYFPLHOKEPF-LBPRGKRZSA-N 362.386 1.684 5 40 FDBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)NCc2ccco2)CC1=O 7928436 VMGLIDHBPRZBEI-NSHDSACASA-N 359.338 1.866 5 40 FDBB CCc1[nH]nc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1[N+](=O)[O-] 552964349 ANCKGZFTLSEMFI-SNVBAGLBSA-N 363.349 1.093 5 40 FDBB CCCn1ccc2nc3ccn(-c4nc(COC)n[nH]4)c(=O)c3cc2c1=O 40398977 JAMDXNYQNQLJHZ-UHFFFAOYSA-N 366.381 1.375 5 40 FDBB COC(=O)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 12527443 UESAKZYRYNWXEX-UHFFFAOYSA-N 370.365 1.739 5 40 FDBB COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)nc1 11153000 SMIAHWFQTYLZNB-UHFFFAOYSA-N 372.381 1.765 5 40 FDBB O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc(-n2cncn2)nc1 46714225 FTXCCEACBCQPJQ-UHFFFAOYSA-N 367.369 1.689 5 40 FDBB O=C([C@@H]1CCCO1)N1CCN(C(=S)Nc2cccc([N+](=O)[O-])c2)CC1 6633275 WBMZVVDHPKOGDK-AWEZNQCLSA-N 364.427 1.615 5 40 FDBB CCOC(=O)[C@](O)(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F 5598365 DPFBHYGWXUEDPC-GFCCVEGCSA-N 350.249 1.780 5 40 FDBB COC(=O)c1cc(C(=O)OCC(=O)NC2CCCC2)cc([N+](=O)[O-])c1 3275495 PRXWUTSHILCKGY-UHFFFAOYSA-N 350.327 1.597 5 40 FDBB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)O)C1=O 409123906 IZCDNJBQLZDDDO-NYYWCZLTSA-N 368.323 1.733 5 40 FDBB COc1ccnc(C(=O)N[C@H]2[C@@H]3CN(c4nc(C)ccc4[N+](=O)[O-])C[C@@H]32)c1 1615058519 PVTXMKYLJQAAHG-VIKVFOODSA-N 369.381 1.566 5 40 FDBB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)no1 12922015 KTJWSSZSCMRPDU-QMMMGPOBSA-N 363.282 1.804 5 40 FDBB C[C@]1(c2ccco2)NC(=O)N(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1=O 40049249 MUQIOCNJLCEIKN-IWAYRVGRSA-N 370.321 1.699 5 40 FDBB CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 595592868 RTXPPGCNKKRSOX-IAGOWNOFSA-N 360.410 1.870 5 40 FDBB O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1ccccc1[N+](=O)[O-] 4941383 NYXKAQCKIONVLY-LBPRGKRZSA-N 363.370 1.725 5 40 FDBB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 10594530 KNMQPSOTAKLDOO-UHFFFAOYSA-N 374.382 1.357 5 40 FDBB CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(O)n[nH]c2C[C@@]1(C)O 4754947 UDVQDRNFAAQHTD-HACGYAERSA-N 361.354 1.642 5 40 FDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 101014701 QLVMXYZTUVQCPF-JDEPPNLYSA-N 367.361 1.586 5 40 FDBB CSc1ncc2c(=N)n(NC(=O)c3ccc([N+](=O)[O-])cc3)cnc2n1 4670610 STBPCBUYOIRYOO-UHFFFAOYSA-N 357.355 1.320 5 40 FDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(N)=O 7708366 MQZYBWUIDBQJFH-UHFFFAOYSA-N 351.340 1.503 5 40 FDBB CC(C)CC1=NC2=NC(=O)C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)N2N1 199406618 PYMVXXSJOAAZDV-GFCCVEGCSA-N 358.358 1.453 5 40 FDBB CCOC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 6314773 YHWWHAVGFZBXEH-UHFFFAOYSA-N 356.400 1.867 5 40 FDBB COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 6170046 HIIURGRDBJFKAI-SNVBAGLBSA-N 371.342 1.035 5 40 FDBB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 56073315 SWWHXSCFDDHOOL-NSHDSACASA-N 357.388 1.494 5 40 FDBB CCCn1nnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 9064370 BIMBIRUKRHQHRG-UHFFFAOYSA-N 361.362 1.080 5 40 FDBB Cc1nn(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)c1[N+](=O)[O-] 9750166 MTRIEYIRODFCNJ-UHFFFAOYSA-N 357.370 1.939 5 40 FDBB CCOC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 5207279 INRKPBQACZLQSW-UHFFFAOYSA-N 358.372 1.321 5 40 FDBB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1 14165538 FKQRKUGGFOIVIV-VXGBXAGGSA-N 367.383 1.087 5 40 FDBB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O 25045444 RCTXKWISOLPITE-UHFFFAOYSA-N 353.338 1.741 5 40 FDBB CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@H](O)C2)c([N+](=O)[O-])c1 8149438 CSZFXNSRPFQKCX-LBPRGKRZSA-N 357.432 1.586 5 40 FDBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@H]3O2)cc1[N+](=O)[O-] 409046296 JXGRTCDYWQPXMR-VMUDFCTBSA-N 358.306 1.353 5 40 FDBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc([N+](=O)[O-])c1O 409345392 LVYKTUSSAWPAKC-IHWYPQMZSA-N 350.243 1.589 5 40 FDBB O=C(NCC1(c2ccc3c(c2)OCO3)OCCO1)c1ccccc1[N+](=O)[O-] 1715929 YOOXYFKAXTUSAB-UHFFFAOYSA-N 372.333 1.953 5 40 FDBB CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC)CC1 48368597 AGBROFKMWFHIHQ-UHFFFAOYSA-N 364.402 1.030 5 40 FDBB CCCn1nnc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 32119039 YSGQTCKVHRQDTI-UHFFFAOYSA-N 369.794 1.772 5 40 FDBB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 24686274 FTWPIGYSJNVCMN-ZDUSSCGKSA-N 355.416 1.501 5 40 FDBB O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCC1 3214895 DDTHEWRSTZNJMR-CQSZACIVSA-N 367.427 1.760 5 40 FDBB CC(=O)[C@@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N[C@]1(O)C(F)(F)F 57531217 NOUGBGSAULFXJN-CKYFFXLPSA-N 363.248 1.110 5 40 FDBB CCOc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc([N+](=O)[O-])c1O 59109351 AORDOMOKAYRECB-ONEGZZNKSA-N 364.270 1.567 5 40 FDBB CCCc1n[nH]c(Sc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])n1 12857124 BHBAZCUTXJOWCX-UHFFFAOYSA-N 357.417 1.725 5 40 FDBB CC(=O)N[C@H]1CCCC[C@]12CN(Cc1ccc([N+](=O)[O-])c(O)c1)CCO2 306127527 GASPCBLIBSGSJW-ROUUACIJSA-N 363.414 1.950 5 40 FDBB CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 47497549 POIBCBFGXPGSIK-LBPRGKRZSA-N 374.440 1.572 5 40 FDBB C/C=C(\C)C(=O)O[C@@H]1CC[N+]2([O-])CC[C@@H](COC(=O)/C(=C/C)CO)[C@H]12 85847251 MUIDVKVQYZTVRF-SPHSHZSXSA-N 353.415 1.453 5 40 FDBB Cc1nc2ccccc2c(=O)n1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1729484 CECKDQJJCZIYTB-UHFFFAOYSA-N 369.293 1.905 5 40 FDBB COCCCn1c(=N)c(C(=O)OC)cc2c(=O)n3cc(C)ccc3nc21 100627963 QNFKGCGJVDOFFZ-UHFFFAOYSA-N 356.382 1.260 5 40 FDBB O=[N+]([O-])c1cccc(C(c2c(O)ncnc2O)c2c(O)ncnc2O)c1 13638657 RYNCQJNRKMZYDI-UHFFFAOYSA-N 357.282 1.177 5 40 FDBB O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc3c(c2)OCO3)c1 20450778 KATVTDTUQBLZAV-UHFFFAOYSA-N 350.352 1.943 5 40 FDBB CC(=O)Nc1ccc(S(=O)(=O)NNc2ncccc2[N+](=O)[O-])cc1 8382581 NTFORCLHYQAWNJ-UHFFFAOYSA-N 351.344 1.254 5 40 FDBB CS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1cccc([N+](=O)[O-])c1 96519733 KRWJOFCCKIRXJD-BDAKNGLRSA-N 358.597 1.960 5 40 FDBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)ccc1O 26539639 LAJZVJPEHHWSAG-UHFFFAOYSA-N 361.339 1.682 5 40 FDBB CCC[C@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 408549006 VOQYZLLXRYJXON-NSHDSACASA-N 373.431 1.674 5 40 FDBB COc1cccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1OCC(=O)O 32687740 RJGQBXLNCXPQMA-WAYWQWQTSA-N 363.282 1.026 5 40 FDBB Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CN3CCC2CC3)c1 601445294 AZCYEWQFOVEVPT-OAHLLOKOSA-N 353.444 1.926 5 40 FDBB COC(=O)C1CCN(CCCNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 95350369 QHJIXPWFKFINBN-UHFFFAOYSA-N 363.414 1.908 5 40 FDBB CC[C@H](C)NC(=O)CN1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 12942803 KUVGYTLHLYEPJI-AWEZNQCLSA-N 374.445 1.434 5 40 FDBB O=C(NO[C@H]1CCCCO1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 65612250 JYACRIPRJZUGDQ-HNNXBMFYSA-N 351.359 1.619 5 40 FDBB CCOC(=O)c1c(C)nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C 12860170 OCTVZDMCORJLDH-UHFFFAOYSA-N 353.356 1.822 5 40 FDBB NC(=O)c1ccc(NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])cc1 3509828 VUEHFDKOBVWLKJ-UHFFFAOYSA-N 373.321 1.254 5 40 FDBB O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 23804784 ARZMYZZDCBUSDV-UHFFFAOYSA-N 366.374 1.640 5 40 FDBB CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 24753320 LHAHDNUVECAMJJ-YUMQZZPRSA-N 357.750 1.643 5 40 FDBB Cn1c([N+](=O)[O-])cnc1CN1CCC(NC(=O)NC2CCCCC2)CC1 97103400 HCSSVBFTFXMYCI-UHFFFAOYSA-N 364.450 1.925 5 40 FDBB Brc1c(C[N+]23CN4CN(CN(C4)C2)C3)nc2sccn12 26511996 DCZMKVVXKCSLAR-UHFFFAOYSA-N 356.273 1.167 5 40 FDBB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc([N+](=O)[O-])cc1 6051663 YYYAMTFDKFVYEQ-UHFFFAOYSA-N 360.326 1.267 5 40 FDBB COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 956333 AQGIFDDCZSPTEV-ZDUSSCGKSA-N 365.367 1.632 5 40 FDBB O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N1CCO[C@@H]2CCCC[C@H]21 54917508 FQEICWGOUWAQGJ-GHMZBOCLSA-N 373.207 1.724 5 40 FDBB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](CO)C1 15209967 YIKHTBOVEXVFNW-CYBMUJFWSA-N 371.459 1.834 5 40 FDBB NC(=O)NCCCC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4824640 WPGMRBGSRNOPIU-SNVBAGLBSA-N 355.307 1.207 5 40 FDBB O=C(O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2654582 DCRZTRAVBRLBLM-CQSZACIVSA-N 362.363 1.795 5 40 FDBB in-vitro COc1ccc([N+](=O)[O-])cc1NC(=O)CCn1nnc2ccccc2c1=O 9389896 RYHXANMVXUJERF-UHFFFAOYSA-N 369.337 1.737 5 40 FDBB O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc([N+](=O)[O-])cc1 13388968 NLUFKRMMSSYLPN-UHFFFAOYSA-N 369.297 1.795 5 40 FDBB Cc1nn(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1[N+](=O)[O-] 23382043 UVCKLTDOILBUED-UHFFFAOYSA-N 373.413 1.912 5 40 FDBB NC(=O)c1ccc(NC(=O)c2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1 24990567 VWULCZGKRMJYRJ-UHFFFAOYSA-N 370.365 1.783 5 40 FDBB CC1CCN(c2ccc(S(=O)(=O)NCCC(=O)O)cc2[N+](=O)[O-])CC1 9339439 UNVGFEFUJJFWLP-UHFFFAOYSA-N 371.415 1.584 5 40 FDBB C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nn1c(S)nc2ccccc2c1=O 102002141 AFZBNESXKIFZEU-SECBINFHSA-N 374.382 1.196 5 40 FDBB O=C(CN1CCN(Cc2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] 22011828 WMCCZXYSSRBORU-UHFFFAOYSA-N 355.398 1.746 5 40 FDBB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O 95444507 VTGRBAPWGLHLDL-LBPRGKRZSA-N 357.388 1.443 5 40 FDBB NC(=O)COc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 40070143 SMOGMMWVPQTPJT-UHFFFAOYSA-N 355.310 1.588 5 40 FDBB Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(NCCO)c1[N+](=O)[O-] 5219680 CZHVXOHHJYQDNN-UHFFFAOYSA-N 372.429 1.830 5 40 FDBB O=C1CN(C(=O)Cn2cnc([N+](=O)[O-])c2)c2ccc(C(F)(F)F)cc2N1 12753764 QYIQTENVZAHMMM-UHFFFAOYSA-N 369.259 1.795 5 40 FDBB O=C(c1ccco1)N1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1 70461907 KJIHAYFRQVBRFU-UHFFFAOYSA-N 368.353 1.731 5 40 FDBB O=C(O)CCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 4891592 QHRRIONBVJHSGI-RAXLEYEMSA-N 373.321 1.550 5 40 FDBB CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408563510 AQKQWCAHEKQSQO-LLSQANQASA-N 367.361 1.937 5 40 FDBB CC1CCN(c2nc(N3C[C@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])CC1 5031112 WAIBTSKBSJNYCJ-RYUDHWBXSA-N 350.423 1.817 5 40 FDBB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 2090845 XDDIETTXSKTQLA-DDUZABMNSA-N 355.394 1.909 5 40 FDBB biogenic O=C(CSC(=S)N1CCOCC1)n1ncc2cc([N+](=O)[O-])ccc21 71408879 VNHCPUFSMWLERY-UHFFFAOYSA-N 366.424 1.935 5 40 FDBB Cc1c(Cl)cc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] 32738597 IFMSFNZAWUTHGN-UHFFFAOYSA-N 361.807 1.443 5 40 FDBB CC(C)c1[nH]nc(C(=O)NCc2ccnc(N3CCOCC3)c2)c1[N+](=O)[O-] 84622406 OJRANZLVDYGIIC-UHFFFAOYSA-N 374.401 1.603 5 40 FDBB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NCc2nnc(-c3ccccc3)o2)cc1 32819299 PGNBGWQWTROCGD-WBVHZDCISA-N 370.365 1.829 5 40 FDBB CS(=O)(=O)c1ccc(N2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1 29657021 YSSHNCZUPUBTKV-UHFFFAOYSA-N 368.440 1.781 5 40 FDBB NS(=O)(=O)c1ccc(OCCOc2cc(F)ccc2[N+](=O)[O-])cc1 8469858 OCXWGQRFCYOVHA-UHFFFAOYSA-N 356.331 1.839 5 40 FDBB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 408555570 XPYQAQNCLZCBOM-UHFFFAOYSA-N 372.337 1.297 5 40 FDBB COCc1ccccc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 44549663 QTKWHKNLIFKRHY-UHFFFAOYSA-N 369.333 1.976 5 40 FDBB CCC(=O)N1C(=O)[C@H](C)[C@@]23c4cccc([N+](=O)[O-])c4C(=O)N2CCCN13 5662839 SVWKMRNBDRQCKA-DYZYQPBXSA-N 358.354 1.239 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCC[C@@H](C)C1)S(C)(=O)=O 13672689 XRRHXDNECSOZJB-GFCCVEGCSA-N 369.443 1.928 5 40 FDBB CNc1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] 6830992 OZJIYWSKFQEIQS-UHFFFAOYSA-N 372.337 1.531 5 40 FDBB Cc1cc(C)n(-c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 5577147 MOQUTJJZKGDODQ-UHFFFAOYSA-N 366.399 1.418 5 40 FDBB Cc1c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cccc1[N+](=O)[O-] 10426442 FAIFNFRVHLDHSR-UHFFFAOYSA-N 374.397 1.888 5 40 FDBB O=C(CCS(=O)(=O)C1CCCC1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 40128368 PHXZBTPXEJRWGL-HNNXBMFYSA-N 370.427 1.492 5 40 FDBB NC(=O)c1ccc(Cn2nnc(-c3cccc([N+](=O)[O-])c3)n2)c([N+](=O)[O-])c1 78876850 MEQQTAXENSTNEQ-UHFFFAOYSA-N 369.297 1.304 5 40 FDBB NS(=O)(=O)c1ccc(OCc2nc(-c3ccco3)no2)c([N+](=O)[O-])c1 12921238 KQSZAXWQCPTYFR-UHFFFAOYSA-N 366.311 1.464 5 40 FDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC(=O)N2CCCC2)c1C 14020912 KYTXMCUZVFLBOY-UHFFFAOYSA-N 355.416 1.455 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 45811088 GBOJELKJRRQYNM-ZDUSSCGKSA-N 374.440 1.243 5 40 FDBB C[C@@H](c1nc(-c2nc[nH]n2)no1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 78970775 SBRXLVMGLIZTSY-NSHDSACASA-N 370.373 1.646 5 40 FDBB Cc1ccc(S(=O)(=O)NCC(=O)OCc2cccc([N+](=O)[O-])c2)cc1 3478659 NWGLKXCDZODLPC-UHFFFAOYSA-N 364.379 1.925 5 40 FDBB COc1ccc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 12900979 FEBOOLGKEZWYTF-UHFFFAOYSA-N 372.403 1.103 5 40 FDBB CC(=O)Nc1ccc(CC(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 14245002 CHYRYBMDYJXYBU-QGZVFWFLSA-N 357.366 1.946 5 40 FDBB C[C@@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS(=O)(=O)C1 12174246 QJRAILVUXQRTBF-GFCCVEGCSA-N 358.332 1.202 5 40 FDBB COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 34887458 FPTQSUNEXROODM-QWRGUYRKSA-N 350.375 1.128 5 40 FDBB Cc1cc(NCCNS(C)(=O)=O)nc(-c2cccc([N+](=O)[O-])c2)n1 58162268 KLCLUWSJYZTTHW-UHFFFAOYSA-N 351.388 1.321 5 40 FDBB CCCNC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 3318643 SACZOKAZRRCOLD-UHFFFAOYSA-N 357.750 1.047 5 40 FDBB CCN1CCN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)C[C@H](C)C3)n2)CC1 4306043 UKQYWXBRJLYXRY-STQMWFEESA-N 363.466 1.591 5 40 FDBB CC1=NN(C(=O)[C@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)[C@@](O)(C(F)F)C1 6526404 JVZYOBGTOUYTAU-UOWDBTKRSA-N 359.333 1.606 5 40 FDBB C[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 12862370 YBXFQURQYLDMHO-DFBGVHRSSA-N 358.350 1.978 5 40 FDBB COc1ccccc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 7020414 JMTLISCZWLXRTC-UHFFFAOYSA-N 372.381 1.114 5 40 FDBB O=C(O)[C@@H]1Cc2ccccc2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] 580838343 FBOIHDQGWPGTCN-WBVHZDCISA-N 372.377 1.846 5 40 FDBB COCCCn1ccc2nc3ccn(-c4ccn[nH]4)c(=O)c3cc2c1=O 40399055 AGISWGKRFUNODN-UHFFFAOYSA-N 351.366 1.460 5 40 FDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 46033972 IOBUKYJAZAEWGY-KBPBESRZSA-N 371.459 1.681 5 40 FDBB Cc1ccc(-n2ccc3nc(N4CCOCC4)ncc3c2=O)c([N+](=O)[O-])c1 19974168 VBNVMKRIPZVWAE-UHFFFAOYSA-N 367.365 1.834 5 40 FDBB COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N(C)Cc2ccc(C)cc2)c1=O 40051885 MMTQPPQNGYOTNN-UHFFFAOYSA-N 373.365 1.510 5 40 FDBB CNS(=O)(=O)c1ccc(NCc2ccnc(OC)c2)c([N+](=O)[O-])c1 23055017 SSZXVJIWVYSOLC-UHFFFAOYSA-N 352.372 1.519 5 40 FDBB C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C[C@@H](C)O1 5587120 IMCMOWCMMYDOHF-CHWSQXEVSA-N 369.443 1.993 5 40 FDBB O=C(NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ncc2c(n1)CCCC2=O 4777066 YHTXZIYCBLBXDU-UHFFFAOYSA-N 355.310 1.866 5 40 FDBB CCOC(=O)CNc1cc(NCC(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] 4235234 HMFURKFQUIHYOV-UHFFFAOYSA-N 370.318 1.453 5 40 FDBB biogenic O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 16400918 GGPDCIFNUPVARB-UHFFFAOYSA-N 357.351 1.891 5 40 FDBB COCCCn1c(=N)c(C(N)=S)cc2c(=O)n3cccc(C)c3nc21 100811096 MZHPUAGJDBODSC-UHFFFAOYSA-N 357.439 1.108 5 40 FDBB Cn1c(=O)c2nc3c(nc2n(C)c1=O)[nH]c1ccc(Br)cc13 2150907 YBBZTDJSHXTKSG-UHFFFAOYSA-N 360.171 1.424 5 40 FDBB biogenic O=c1cc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)nc2ccccn12 12915586 NZQLOTYNIVHOIP-UHFFFAOYSA-N 366.381 1.320 5 40 FDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCC[C@@H](O)C1 23709357 LOFWGSJVWQHECY-CYBMUJFWSA-N 369.443 1.731 5 40 FDBB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1[N+](=O)[O-] 408654248 KGDMLCVLRBVOAU-UCLYDKIOSA-N 374.349 1.583 5 40 FDBB O=[N+]([O-])c1c(C(F)(F)F)cc(N2CCOCC2)nc1N1CCNCC1 43179111 MTUFGUXECVAPON-UHFFFAOYSA-N 361.324 1.255 5 40 FDBB CC[C@H](CO)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 12522556 SFMMUOGDEQMIBA-GFCCVEGCSA-N 357.432 1.952 5 40 FDBB Cc1nn(CCOc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1[N+](=O)[O-] 9389771 WDSOLWAFEIDEKF-UHFFFAOYSA-N 368.415 1.737 5 40 FDBB O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)NCC(F)(F)F 8408517 CCXTZEISVJJJNV-UHFFFAOYSA-N 364.232 1.201 5 40 FDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCC(C)C)S(C)(=O)=O 408546492 SYNFLWBGIQPDHY-UHFFFAOYSA-N 373.431 1.532 5 40 FDBB Cc1nc(N2CCC(C(N)=O)CC2)nc(NCc2ccco2)c1[N+](=O)[O-] 38488511 GCYDROHUOYVKKW-UHFFFAOYSA-N 360.374 1.600 5 40 FDBB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cc(OCC(F)F)cc([N+](=O)[O-])c1 101847545 WUVVJOJHDPVBOU-AUZPSNTRSA-N 368.292 1.906 5 40 FDBB O=C(NCc1nnc2ccccn12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 48367298 VUZADMVMTHMQKV-UHFFFAOYSA-N 363.337 1.753 5 40 FDBB NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC(c2ncc[nH]2)CC1 89773163 GYXBRMOEQXQCBD-UHFFFAOYSA-N 351.388 1.349 5 40 FDBB CC(=O)c1ccc(Sc2nnc(C)n2CC(=O)N(C)C)c([N+](=O)[O-])c1 58163533 KOQMNSPTNFVBDK-UHFFFAOYSA-N 363.399 1.937 5 40 FDBB Cc1nn(CC(=O)NCc2cccnc2-n2cccn2)c(C)c1[N+](=O)[O-] 24795904 JGOGDHFYNYIFJZ-UHFFFAOYSA-N 355.358 1.305 5 40 FDBB Cc1nn(CC(=O)NCCc2ccc3c(c2)OCCO3)c(C)c1[N+](=O)[O-] 6507835 DWEGABSAYSPBEI-UHFFFAOYSA-N 360.370 1.538 5 40 FDBB Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1sccc1C(N)=O 9453314 ZEWZVXAWFGRWHG-UHFFFAOYSA-N 363.351 1.859 5 40 FDBB O=C(O)CNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 5003473 MXLBXHKBYKWIDZ-GDNBJRDFSA-N 369.333 1.567 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)cc1 33014982 LNQDAXSMMQUWOW-QZTJIDSGSA-N 365.430 1.273 5 40 FDBB Cc1cc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])s3)CC2)no1 58163105 KBFXTMSBMBDMRW-UHFFFAOYSA-N 351.388 1.713 5 40 FDBB CCSc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C 4139136 BIDDNMPEHRXUDW-UHFFFAOYSA-N 373.394 1.714 5 40 FDBB COc1cccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c1OCC(=O)O 102653315 YFOGEHLJFQNLRN-WAYWQWQTSA-N 363.282 1.026 5 40 FDBB CC=C1C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@+]3([O-])CC[C@H](OC1=O)[C@H]23 2356096488 PLGBHVNNYDZWGZ-RFKOELIFSA-N 351.399 1.205 5 40 FDBB CC1CCC(NS(=O)(=O)c2ccc(N(C)CCO)c([N+](=O)[O-])c2)CC1 8056294 VHNSNYBHBQVOEM-UHFFFAOYSA-N 371.459 1.880 5 40 FDBB O=C(COc1cc(F)ccc1[N+](=O)[O-])N1CCN(c2ccccn2)CC1 8469774 BFFLEPDTCSMVIX-UHFFFAOYSA-N 360.345 1.857 5 40 FDBB COC(=O)[C@H](C)CN(C)C(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-] 32928164 LAGLNZUNFZMHSV-SECBINFHSA-N 370.358 1.502 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 2638865 ZFVGBSADCYDTCN-UHFFFAOYSA-N 365.254 1.900 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 45810874 AXIHBEAUCUUBBS-LBPRGKRZSA-N 374.440 1.243 5 40 FDBB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N+](=O)[O-])n1C 8328174 RMBDIZCAIZOSTH-UHFFFAOYSA-N 363.326 1.989 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nnnn1-c1ccccc1 16837622 FWABGXSOLSPYHU-UHFFFAOYSA-N 374.382 1.357 5 40 FDBB O=C(C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1cccs1 16450264 LWVHIZZHCAGEGE-SMDDNHRTSA-N 371.330 1.783 5 40 FDBB C[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N(C)C 7111854 BUKDIDGQTWBTAO-LLVKDONJSA-N 371.415 1.235 5 40 FDBB Cn1c(Cn2cnc([N+](=O)[O-])n2)nnc1SCC(=O)c1ccccc1 1075394 FOGIQZMITMSHIN-UHFFFAOYSA-N 359.371 1.338 5 40 FDBB O=c1c2nnn(Cc3ccccc3)c2ncn1Cc1cccc([N+](=O)[O-])c1 4139791 NZHCVQWYWAUIJE-UHFFFAOYSA-N 362.349 1.993 5 40 FDBB COc1ccc(-c2nnn(CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 4129685 SJJDMZLNWMFBOA-UHFFFAOYSA-N 354.326 1.896 5 40 FDBB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 36022143 XGCNLPUTJYWKEF-CYBMUJFWSA-N 351.315 1.118 5 40 FDBB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 12923074 LDSVLBRTXAFUNZ-BBRMVZONSA-N 364.402 1.454 5 40 FDBB CC[C@H](C)NC(=O)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 89942283 KIAAQHYYQKANIU-JTQLQIEISA-N 360.370 1.471 5 40 FDBB COc1cc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc([N+](=O)[O-])c1 40122635 JUXIKXFLNORNGZ-LLVKDONJSA-N 371.415 1.005 5 40 FDBB NC(=O)[C@@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4018269 MSGRHOHOWHISSH-CQSZACIVSA-N 360.326 1.986 5 40 FDBB CCOC(=O)N1CCN(c2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)CC1 5557208 DXSLQLDJZFPBNV-UHFFFAOYSA-N 360.370 1.725 5 40 FDBB O=C(CN1C(=O)CNC1=O)OCc1cc(=O)oc2ccc3ccccc3c12 7004311 ANFDEUJVRQKVTB-UHFFFAOYSA-N 366.329 1.541 5 40 FDBB COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N 8203514 OFEQZTBSDKHVFX-CYBMUJFWSA-N 367.358 1.038 5 40 FDBB O=C(N1CCOCC1)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 18084985 ROUPIEXNLDISCO-ZPVISIIKSA-N 361.402 1.341 5 40 FDBB O=C(C1=NN[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1ccccc1 100165668 DLAIKQNQMALZCB-ZFWWWQNUSA-N 364.317 1.295 5 40 FDBB CCOC(=O)N1CCC(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 9157779 FZQAZWUPIQYDIZ-UHFFFAOYSA-N 364.402 1.991 5 40 FDBB COCCN(C)C[C@@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 72273953 DWMVNJAYPQJASU-HNNXBMFYSA-N 351.403 1.543 5 40 FDBB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 33935500 XDDIETTXSKTQLA-JOQOYGCGSA-N 355.394 1.909 5 40 FDBB O=C(CN1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1)NC1CC1 40122898 UDTCOBXXJOOKCW-UHFFFAOYSA-N 363.374 1.658 5 40 FDBB CCOCCCn1c(=N)c(C(=O)NC)cc2c(=O)n3cccc(C)c3nc21 100628055 JQVCWXJPLSEZKY-UHFFFAOYSA-N 369.425 1.223 5 40 FDBB C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(NC[C@@H]3CCCO3)n2)C[C@@H](C)O1 5025644 CTUJBHUZLYGBHD-MXWKQRLJSA-N 352.395 1.172 5 40 FDBB CCCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 8503119 SYBKHDAVCXKKTN-KRWDZBQOSA-N 362.386 1.668 5 40 FDBB O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCN(c2ncccn2)CC1 40151533 ZJCBJHWKDLXHNS-UHFFFAOYSA-N 367.362 1.035 5 40 FDBB CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1cccc([N+](=O)[O-])c1 223774652 OISRSSYDVUKPOE-UHFFFAOYSA-N 367.427 1.977 5 40 FDBB O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 1889083347 JFMHGCKHRXNRDV-OKILXGFUSA-N 356.294 1.531 5 40 FDBB COCCn1nc(C)c(CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1C 58160015 IBTUFRNCAJXTJD-UHFFFAOYSA-N 364.406 1.184 5 40 FDBB Cc1ccc(Nc2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])cc1 20292600 ZAEDLYCZVVWZRO-UHFFFAOYSA-N 373.417 1.763 5 40 FDBB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cccc([N+](=O)[O-])c1 28924376 APOLCTPNEDBYID-QGZVFWFLSA-N 354.366 1.932 5 40 FDBB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 19931875 ORIHPWGRMMAFJP-NSHDSACASA-N 356.404 1.052 5 40 FDBB O=C(C1=NO[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1cccs1 103751133 LWVHIZZHCAGEGE-RISCZKNCSA-N 371.330 1.783 5 40 FDBB CS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 4270535 QFCLZVNXPAXMAY-UHFFFAOYSA-N 356.381 1.799 5 40 FDBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccccn2)CC1 2582441 IHNLEZUFSZIHTI-UHFFFAOYSA-N 357.326 1.860 5 40 FDBB O=C(COC(=O)c1ccc([N+](=O)[O-])s1)NCc1ccc2c(c1)OCO2 3496560 NGAHRBKKVKYMCX-UHFFFAOYSA-N 364.335 1.858 5 40 FDBB CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N 100912672 UVSBXZZHYLPESR-UHFFFAOYSA-N 373.416 1.927 5 40 FDBB O=[N+]([O-])c1ncn(Cn2ccc(-c3nc4c5ccccc5ncn4n3)n2)n1 2806252 PTKLYIJQWFRFPQ-UHFFFAOYSA-N 362.313 1.147 5 40 FDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NC1CCCC1 6269039 GPMFGDHRJQQLNH-UHFFFAOYSA-N 355.416 1.970 5 40 FDBB O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408640084 AGTXHHZRNMTLHL-PKCACUDHSA-N 353.334 1.293 5 40 FDBB CS(=O)(=O)c1ccc(N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 6250545 UWUBKBMXEDLFOC-UHFFFAOYSA-N 363.399 1.115 5 40 FDBB O=[N+]([O-])c1cc(N2S(=O)(=O)c3ccccc3S2(=O)=O)ccc1F 4659659 DLCOSIWHWHHDMC-UHFFFAOYSA-N 358.328 1.632 5 40 FDBB Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] 95457689 RRFAVPDHEYRBKZ-WFASDCNBSA-N 356.400 1.520 5 40 FDBB Cn1ccnc1C(=O)c1ccc(N2CCC(NCCO)CC2)c([N+](=O)[O-])c1 95446170 FWMQLTYSPPGQEJ-UHFFFAOYSA-N 373.413 1.110 5 40 FDBB C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@@+]3([O-])CC[C@H](OC1=O)[C@H]23 2061000970 PLGBHVNNYDZWGZ-OUWGVRCCSA-N 351.399 1.205 5 40 FDBB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3ccccc3[N+](=O)[O-])cnc21 10250821 GYALLWKCDDCDKZ-UHFFFAOYSA-N 356.342 1.640 5 40 FDBB Cc1ccc(CNC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1 2621199 HRILTDIZWVTGGV-UHFFFAOYSA-N 352.350 1.930 5 40 FDBB CCN1CCN(c2nc(Nc3ccccc3F)nc(N)c2[N+](=O)[O-])CC1 17250513 KROYYUJNZLDCKH-UHFFFAOYSA-N 361.381 1.992 5 40 FDBB Cc1nc(S/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)O)n[nH]1 409189152 DJQODKNZRHRZMV-OQFOIZHKSA-N 367.299 1.853 5 40 FDBB O=C(c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OCCO2 72328736 FEOLBQDMMCCUPG-UHFFFAOYSA-N 358.354 1.964 5 40 FDBB O=c1oc2ccc([N+](=O)[O-])cc2n1CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 12933085 QOYPKXOHIVRPPK-GFCCVEGCSA-N 367.383 1.112 5 40 FDBB Cc1c(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cccc1[N+](=O)[O-] 95406604 WKEBAZQDDJHSDK-PIGZYNQJSA-N 360.370 1.354 5 40 FDBB O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)c2cccs2)CC1 23804905 FMFGCWUKGWENSR-UHFFFAOYSA-N 354.413 1.562 5 40 FDBB CCc1cc(-n2cc(C(=O)OC)nn2)nc(-c2ccc([N+](=O)[O-])cc2)n1 65537792 NAQJGDDULOJETI-UHFFFAOYSA-N 354.326 1.982 5 40 FDBB C[C@@H]1CCCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 6911615 MQSARRGEYJLIQN-CYBMUJFWSA-N 369.443 1.995 5 40 FDBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)S(=O)(=O)CC2 84419307 IHXIQLRUVHKIRT-UHFFFAOYSA-N 362.363 1.942 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 18244162 LLTSLMNGOZCWGI-CHWSQXEVSA-N 373.365 1.883 5 40 FDBB NS(=O)(=O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 9510187 HFPZGEUCEHAZOW-UHFFFAOYSA-N 357.369 1.043 5 40 FDBB CCn1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O 38828925 OASHUKXQMQOYKK-UHFFFAOYSA-N 354.410 1.064 5 40 FDBB CCn1cc(S(=O)(=O)Nc2ccc(N3CCCC3)nc2)c([N+](=O)[O-])n1 89305598 VIOSRDXRLDDSML-UHFFFAOYSA-N 366.403 1.607 5 40 FDBB O=C(O)CN1C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 408596146 RIWTWDAYKZSVQI-XFFZJAGNSA-N 357.278 1.832 5 40 FDBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(CO)C=C[C@H]2O1 247337294 RBJOPGJGKFHFCD-BLTAXRJOSA-N 350.714 1.054 5 40 FDBB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCC1 3214894 DDTHEWRSTZNJMR-AWEZNQCLSA-N 367.427 1.760 5 40 FDBB CCOC(=O)C1=C(COc2ccc(OC)cc2[N+](=O)[O-])NC(=O)N[C@@H]1C 7813589 YIRMYQZKPNPNPF-SECBINFHSA-N 365.342 1.501 5 40 FDBB C[C@H](NC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1)[C@@H]1C[C@H]2CC[C@H]1C2 103026732 SEBGYLOGMMSARR-BJDJZHNGSA-N 360.374 1.777 5 40 FDBB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc([N+](=O)[O-])o1 38679797 YALPBXUQHNXPOF-DTWKUNHWSA-N 353.356 1.924 5 40 FDBB C/C=C1\C[N@+]2(C)[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H](O)[C@]4(C[C@@H]12)c1ccccc1N[C@@H]34 252460270 CZPDTQCCDJQAJE-NNFPZGPUSA-N 367.469 1.820 5 40 FDBB biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 13791391 UROJEDJUUJELQR-SNVBAGLBSA-N 357.388 1.214 5 40 FDBB COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 3152049 CMYFKULYHYYLQP-ZDUSSCGKSA-N 364.379 1.657 5 40 FDBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(S(N)(=O)=O)cc1 6784883 GLHCZZJIOBLMGA-MRVPVSSYSA-N 355.397 1.795 5 40 FDBB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12 408975806 NUQDFFBFRIQUAQ-KNPMLCFXSA-N 364.741 1.444 5 40 FDBB O=C(C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccco1 3849002 NONCNMRPGNJYJQ-SMDDNHRTSA-N 355.262 1.315 5 40 FDBB biogenic CS(=O)(=O)NC[C@@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 48273948 HYCBLRHVFYRLNK-LBPRGKRZSA-N 367.431 1.163 5 40 FDBB O=[N+]([O-])c1cccnc1N1CCC(NS(=O)(=O)c2ccccc2)CC1 20353826 KYGSEVHDWHZMTE-UHFFFAOYSA-N 362.411 1.937 5 40 FDBB COC(=O)c1ccc([N+](=O)[O-])c(OCCn2nc3ccccn3c2=O)c1 58130600 XPRSPRHTMGISEO-UHFFFAOYSA-N 358.310 1.270 5 40 FDBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)c1ccc2c(c1)OCCO2 6561006 PYVABLCVTLPEKN-UHFFFAOYSA-N 367.317 1.959 5 40 FDBB CNC(=O)[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 40155592 QMLUYJBGTZTPCG-OAHLLOKOSA-N 363.395 1.898 5 40 FDBB O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2nnc(-c3cccnc3)n12 17196477 FSRJYDVLVFHNDO-MDWZMJQESA-N 351.347 1.669 5 40 FDBB CCn1c(=O)c2ccccc2n(CC(=O)c2ccc([N+](=O)[O-])cc2)c1=O 6759664 NUNKPTCWJNLXGM-UHFFFAOYSA-N 353.334 1.974 5 40 FDBB O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CCC[C@H](O)C1 72295731 PDKIXHCECVREOJ-QWRGUYRKSA-N 369.805 1.645 5 40 FDBB CCOC(=O)[C@@]1(C)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 89978182 OJLSXKRZFAWYIN-GOSISDBHSA-N 361.398 1.902 5 40 FDBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 4941272 SNQHLVGNNWGJML-CYBMUJFWSA-N 356.400 1.949 5 40 FDBB C[C@H]1CN(C[C@@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 106147624 SXUSGEADOUPGAU-JKIFEVAISA-N 360.414 1.928 5 40 FDBB O=[N+]([O-])c1ccc(CN(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 70980020 XCEVYIGIRPGYRB-HZPDHXFCSA-N 354.428 1.763 5 40 FDBB NC(=O)c1cc([N+](=O)[O-])cn(Cc2nc(-c3ccc(F)cc3)no2)c1=O 12740694 QVDDSCSAWBOITR-UHFFFAOYSA-N 359.273 1.093 5 40 FDBB COc1cccc(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 3067853 ZSGMUCFKOUZWEM-UHFFFAOYSA-N 352.368 1.961 5 40 FDBB CCS(=O)(=O)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 24778456 ZHQJHEZKOQFQRX-UHFFFAOYSA-N 355.416 1.447 5 40 FDBB CN(C)c1ccc(C(=O)NCCc2nnc3ccccn23)cc1[N+](=O)[O-] 12607827 POBIJBMGGCAEIV-UHFFFAOYSA-N 354.370 1.676 5 40 FDBB O=C(COC(=O)c1ccc[n+]([O-])c1)Nc1ccc([N+](=O)[O-])cc1Cl 6566629 NKIPVDSATFHILU-UHFFFAOYSA-N 351.702 1.677 5 40 FDBB Cc1ccc(NS(=O)(=O)c2cn(C)nc2[N+](=O)[O-])c(CN(C)C)c1 84142381 PXXXLNIZJZAWNJ-UHFFFAOYSA-N 353.404 1.499 5 40 FDBB COC(=O)C[S@@](=O)c1ccc([S@@](=O)C(F)(F)F)cc1[N+](=O)[O-] 5742499 VJEMWQKKPSCXAY-VXKWHMMOSA-N 359.303 1.503 5 40 FDBB COC(=O)[C@]1([C@H](C[N+](=O)[O-])c2ccco2)C(=O)NC[C@H]1c1ccccc1 102681820 VAZFXBUZRINRPN-PMUMKWKESA-N 358.350 1.713 5 40 FDBB CCn1cc(NC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)c(C(=O)NC)n1 2732595 SXODJWCMZYRXNM-UHFFFAOYSA-N 369.769 1.050 5 40 FDBB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 4183124 CCTMKTXLKTUTEQ-UHFFFAOYSA-N 357.388 1.366 5 40 FDBB C[C@@H](C(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F)n1cc([N+](=O)[O-])cn1 6520690 OQBTYYNLAVAYNZ-ULHQUTTKSA-N 353.232 1.159 5 40 FDBB O=C1[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 222255331 UXJGOYNFVIBXTM-OXIQGZBJSA-N 350.714 1.054 5 40 FDBB Cc1nn(CC(=O)NC[C@@H](c2ccsc2)N(C)C)c(C)c1[N+](=O)[O-] 25329258 PQRYQTDIFHEPDQ-ZDUSSCGKSA-N 351.432 1.889 5 40 FDBB Nc1nnc(SCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 3358725 BWCTZJMAWIOTTK-UHFFFAOYSA-N 369.384 1.303 5 40 FDBB O=C1COc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2N1 25387180 YCBITISHQGGDFT-UHFFFAOYSA-N 357.278 1.907 5 40 FDBB COC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1I 72071456 DJAIVKVASREYBN-UHFFFAOYSA-N 364.095 1.102 5 40 FDBB C[N@+]12CCCC[C@H]1[C@H](COC(=O)CCN1C(=O)CCCC1=O)CCC2 585162699 MXTICUPLUWLWFN-CKJXQJPGSA-N 351.467 1.868 5 40 FDBB Cc1nn(Cc2c(C(=O)Nc3cnn(C)c3)noc2C)c(C)c1[N+](=O)[O-] 17074074 KKQHCUVWOPINGB-UHFFFAOYSA-N 359.346 1.739 5 40 FDBB O=C(NCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1cccnc1 20494736 SLPDDIGSJHPDFR-UHFFFAOYSA-N 355.398 1.495 5 40 FDBB O=C(OCC(=O)N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5731820 QQHUZJFSBTWBSC-UHFFFAOYSA-N 363.370 1.211 5 40 FDBB Cc1csc(=O)n1CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 7985638 SZWQXQIEUKGMMC-UHFFFAOYSA-N 366.351 1.736 5 40 FDBB Cc1noc2ncc(NS(=O)(=O)c3ccc(O)c([N+](=O)[O-])c3)cc12 72301069 JBAYEYXGNGODED-UHFFFAOYSA-N 350.312 1.946 5 40 FDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(C)(C)N1CCOCC1 46033692 ORUJRYTYNXQJJJ-UHFFFAOYSA-N 357.432 1.292 5 40 FDBB O=C(NCCNc1nc2ccccn2c1[N+](=O)[O-])c1n[nH]c2ccccc12 58224345 PPMHQERIXWMYDV-UHFFFAOYSA-N 365.353 1.961 5 40 FDBB C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 14098550 WBDUVTHNEGSLGX-BETUJISGSA-N 371.459 1.761 5 40 FDBB COC(=O)c1[nH]c(Cn2nc(C)c([N+](=O)[O-])c2C)c(C(=O)OC)c1C 6651351 OWMQWKIBICXHAA-UHFFFAOYSA-N 350.331 1.666 5 40 FDBB CCN(CC)S(=O)(=O)c1ccc(O[C@@H]2CCOC2=O)c([N+](=O)[O-])c1 5193031 IATYQHCBPVVEOC-CYBMUJFWSA-N 358.372 1.320 5 40 FDBB Cn1cc(C(=O)NC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cn1 52904392 CEELIJSCFDBIPF-UHFFFAOYSA-N 357.414 1.765 5 40 FDBB Cc1c2c(cc3c(=O)ccn(CCN(C)C)c13)c(=O)ccn2CCN(C)C 1629464 WXIVGXOYHKWXPQ-UHFFFAOYSA-N 368.481 1.748 5 40 FDBB C[C@H]1CN([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 26840773 UHXGXHZAYIZSJM-RWMBFGLXSA-N 357.432 1.371 5 40 FDBB Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cnc1Br 96009004 RPMHNKJHXZCMIN-UHFFFAOYSA-N 367.159 1.861 5 40 FDBB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 223280424 CPGBBQAFQABAHA-UHFFFAOYSA-N 365.367 1.520 5 40 FDBB Cn1nnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 6643619 SOGLCMCDQWMHIQ-UHFFFAOYSA-N 362.293 1.868 5 40 FDBB CC[C@@](C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCOCC1 40152816 KQDAPJNJECEBRA-INIZCTEOSA-N 354.382 1.547 5 40 FDBB Cc1cc([N+](=O)[O-])c(NCC(C)([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-] 33354444 KPHRUIADSSDCFH-UHFFFAOYSA-N 374.222 1.401 5 40 FDBB COc1ccccc1Nc1nc(N2CCN(C)CC2)nc(N)c1[N+](=O)[O-] 5025182 SMRSNXXSDGBOEM-UHFFFAOYSA-N 359.390 1.471 5 40 FDBB O=C(COC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])c1ccc[nH]1 9368628 MGDIKCOCPJPQTN-UHFFFAOYSA-N 359.338 1.799 5 40 FDBB O=C(NCCc1nnc2n1CCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 69434473 RMUHMZAQLVHSNY-UHFFFAOYSA-N 370.413 1.705 5 40 FDBB CC(=O)N[C@@H]1CCCC[C@]12CN(Cc1ccc([N+](=O)[O-])c(O)c1)CCO2 306127525 GASPCBLIBSGSJW-MSOLQXFVSA-N 363.414 1.950 5 40 FDBB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 58356692 JATXQBVGTHBVNY-HNNXBMFYSA-N 363.418 1.659 5 40 FDBB O=C(CCn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(N2CCCC2=O)cc1 8941234 GEQHPOVDMQZQJS-UHFFFAOYSA-N 370.365 1.912 5 40 FDBB CCOC(=O)C[C@](C)(O)CNS(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C 96008946 YWUMUZQTTVOQQV-HNNXBMFYSA-N 374.415 1.194 5 40 FDBB NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)O 3884776 MXFMDWRBRWUENM-UHFFFAOYSA-N 352.328 1.379 5 40 FDBB COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1cccc(C)c1[N+](=O)[O-] 8514397 GBBAIUXWVIJASZ-CYBMUJFWSA-N 366.370 1.764 5 40 FDBB CCOC(=O)[C@@H]1CCC(=O)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5064715 HFAKOOXHBCFGBF-NSHDSACASA-N 351.271 1.197 5 40 FDBB COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CCOC1=O)[N+](C)(C)CC3)OCO2 4064727 CNYFEQJRLXZDJW-CHWSQXEVSA-N 362.402 1.620 5 40 FDBB biogenic COc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1[N+](=O)[O-] 6316408 GRZDKNVOLWHXBX-UHFFFAOYSA-N 351.340 1.503 5 40 FDBB Nc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](NCc1ccccc1)C(=O)O 65090350 OUTXRUAQSRWVDJ-OAHLLOKOSA-N 358.354 1.749 5 40 FDBB O=c1c([N+](=O)[O-])ccc2n1C[C@H]1C[C@H]2CN(c2ncnc3[nH]cnc23)C1 1775973238 CXTKWCOJZQZHIA-UWVGGRQHSA-N 353.342 1.047 5 40 FDBB CC(=O)S[C@@H]1C[C@@H](CO)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 145890135 ISMJAKHUEXVPIA-UONOGXRCSA-N 354.384 1.946 5 40 FDBB CCOc1ccc(NC(=O)C[C@H](NCCCOC)C(=O)O)c([N+](=O)[O-])c1 10434210 SYXIKKSIBDWZIK-ZDUSSCGKSA-N 369.374 1.401 5 40 FDBB Nc1nc(NCCCN2CCOCC2)nc(Nc2ccccc2)c1[N+](=O)[O-] 20289569 ACTDTODJLAEZGJ-UHFFFAOYSA-N 373.417 1.845 5 40 FDBB O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1c[nH]nc1-c1ccccn1 95461129 YHAKSFCIZFMLAX-UHFFFAOYSA-N 352.310 1.957 5 40 FDBB CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 198073760 IRWZPIOKORTCJA-UHFFFAOYSA-N 363.395 1.677 5 40 FDBB CC1CCN(c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)[n+]2[O-])CC1 5005439 TUMKDYXUZZFQNH-UHFFFAOYSA-N 361.358 1.421 5 40 FDBB CNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 79067599 DNKBKJMBJRWHNJ-UHFFFAOYSA-N 355.782 1.144 5 40 FDBB O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 101103896 CXWYULPZGNRRIJ-KKOKHZNYSA-N 365.139 1.800 5 40 FDBB CCOCCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NC 20051768 DTPUUOUTBAZGHQ-UHFFFAOYSA-N 369.425 1.749 5 40 FDBB CCOC(=O)N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 16478169 JUJLZHHNYMMMMD-UHFFFAOYSA-N 361.358 1.919 5 40 FDBB COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(S(N)(=O)=O)cc1 30558468 QCKOZWRUFNQVGC-UHFFFAOYSA-N 365.367 1.641 5 40 FDBB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(C)c3nc12 100869848 JCDKIZNAMFXEON-UHFFFAOYSA-N 351.410 1.646 5 40 FDBB CN(C)CCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)c(Cl)cc21 1676956 TWPTVYXSYKOUEE-UHFFFAOYSA-N 368.224 1.843 5 40 FDBB O=C(NN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc([N+](=O)[O-])cc1 408649884 LRQRWLFNSCBVEN-UHFFFAOYSA-N 356.250 1.444 5 40 FDBB C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCC[C@@H](C)C3)n2)C[C@@H](C)O1 5158415 BEBGCPKCPRJWBH-UTUOFQBUSA-N 350.423 1.817 5 40 FDBB CNC(=O)c1cccc(NC(=O)COc2cc([N+](=O)[O-])ccc2OC)c1 7467941 KETLXRWTSURQRF-UHFFFAOYSA-N 359.338 1.981 5 40 FDBB CC[C@H]1CO[C@H](C)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 32768438 RPTKVGMDZKVWFR-NEPJUHHUSA-N 363.370 1.346 5 40 FDBB C[C@H](O)CNc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] 106521497 MEBCFPHIGHVJIN-RYUDHWBXSA-N 357.432 1.808 5 40 FDBB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 25059796 SIKVPJSRRJHGNN-XJKSGUPXSA-N 364.402 1.454 5 40 FDBB CC(C)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1 12753083 PBWYVZJVBOLLSJ-CQSZACIVSA-N 357.432 1.230 5 40 FDBB COC(=O)[C@@]1([C@H](C[N+](=O)[O-])c2ccco2)C(=O)NC[C@H]1c1ccccc1 102681822 VAZFXBUZRINRPN-IYOUNJFTSA-N 358.350 1.713 5 40 FDBB Cc1noc(C)c1CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 36833402 QQZDVDJJJYLMHS-UHFFFAOYSA-N 359.386 1.621 5 40 FDBB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 24727112 DPNODKOTJOVNAE-GFCCVEGCSA-N 361.358 1.493 5 40 FDBB COCCOc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC 9238416 NHDUOFVZQXAHKT-HWKANZROSA-N 363.326 1.176 5 40 FDBB CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccccc2)c1=N 100911907 YBVADIQOKDUAGS-UHFFFAOYSA-N 373.416 1.845 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C(N)=O)c1 32087081 CNRRQULNZWNDIS-UHFFFAOYSA-N 353.331 1.942 5 40 FDBB CCOC(=O)N1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 13056385 SYLIMSSWUYCHOI-UHFFFAOYSA-N 350.375 1.616 5 40 FDBB CCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 4851481 BTZIWCOOTZKMGH-UHFFFAOYSA-N 363.395 1.926 5 40 FDBB CCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 28276625 TWTGKHUCSZPTCN-CQSZACIVSA-N 355.416 1.664 5 40 FDBB C[N@+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 263606407 QVVOZYKELHAIPX-SKZULNPVSA-N 358.458 1.843 5 40 FDBB in-man CN(C)c1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)cc1 5569741 FDZABGHVJXFJCG-UHFFFAOYSA-N 359.390 1.613 5 40 FDBB O=C(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccco1 7158100 FQDYQDCSQZLIQU-UHFFFAOYSA-N 358.354 1.266 5 40 FDBB Cc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)c([N+](=O)[O-])cc1C 408917776 AZQMNTKZYWLALG-NONVJHHQSA-N 358.350 1.407 5 40 FDBB NC(=O)c1cccc2c1CCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 32915892 GLGQVFSCEATTAQ-UHFFFAOYSA-N 361.379 1.835 5 40 FDBB O=[N+]([O-])c1ccc(CN(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 70980018 XCEVYIGIRPGYRB-CVEARBPZSA-N 354.428 1.763 5 40 FDBB COc1ccccc1OCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 69078938 JDYRNJQLTVRQAZ-UHFFFAOYSA-N 352.368 1.961 5 40 FDBB CS(=O)(=O)Nc1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] 24881095 JIBAVXPAYFTXPH-UHFFFAOYSA-N 365.367 1.984 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@H](N2CCCC[C@@H]2CCO)C1=O 21122940 MNIUEVQXDXPSJX-CJNGLKHVSA-N 361.398 1.772 5 40 FDBB CC(=O)N[C@@H](CS[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2)C(=O)O 2667968 MXLWGGRCQUQVFM-GXFFZTMASA-N 356.356 1.056 5 40 FDBB O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cccc([N+](=O)[O-])c1 32818232 CRIJVIKRRDQQRH-UHFFFAOYSA-N 354.322 1.899 5 40 FDBB O=C(CSc1nc(=O)n2ccccc2n1)Nc1cccc([N+](=O)[O-])c1 4499751 BYNNFSJNMVKKIW-UHFFFAOYSA-N 357.351 1.729 5 40 FDBB C[C@@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)NC1CCCCC1 12730945 LJWGMJBPFRQFBA-SNVBAGLBSA-N 371.415 1.458 5 40 FDBB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@@H]1c1cccc([N+](=O)[O-])c1 4707956 LAMMFWLZTFHQMV-AWEZNQCLSA-N 362.367 1.626 5 40 FDBB CC(=O)N1CCOC[C@]2(CC[C@H](CNCc3cccc([N+](=O)[O-])c3)O2)C1 306135288 OMMZUVSJWDDZIM-MSOLQXFVSA-N 363.414 1.481 5 40 FDBB Cc1nonc1OCCNCCNc1ccc([N+](=O)[O-])c2cccnc12 5361166 MNLUCPGZFQUGOZ-UHFFFAOYSA-N 358.358 1.915 5 40 FDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCc2[nH]c3ccccc3c2C1 22357838 WIDQQSYMFDZUKS-UHFFFAOYSA-N 352.350 1.823 5 40 FDBB CNc1ccc(C(=O)NC2CCC(NS(C)(=O)=O)CC2)cc1[N+](=O)[O-] 72295750 POVSJANDDWXNJG-UHFFFAOYSA-N 370.431 1.227 5 40 FDBB CSc1nnc(C)n1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 33423127 WDUTZCFBCIUYII-UHFFFAOYSA-N 366.428 1.783 5 40 FDBB CC(C)NC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 3319961 MBXZRZGQYGYGHJ-UHFFFAOYSA-N 357.750 1.046 5 40 FDBB aggregator Cc1nnc(NC(=O)COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 3666146 WNMYGMGGRALMEJ-UHFFFAOYSA-N 367.299 1.458 5 40 FDBB COc1ccccc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 72332087 DUFYEGDPOPTDMC-UHFFFAOYSA-N 359.386 1.457 5 40 FDBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)cc1[N+](=O)[O-] 409042434 MYFAKCLFUPEGAA-LBTBCDHLSA-N 372.333 1.743 5 40 FDBB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 56273201 UEUNHWGFBUCRFK-OAHLLOKOSA-N 374.397 1.699 5 40 FDBB Cc1c(C(=O)N(C)[C@H]2CN3CCC2CC3)nnn1-c1cccc([N+](=O)[O-])c1 521156388 LRIOGVVGNRJZCP-INIZCTEOSA-N 370.413 1.650 5 40 FDBB O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H]1[C@@H](O)C(F)(F)F 534729693 YRVIDXRHNMEWFF-QPUJVOFHSA-N 362.260 1.851 5 40 FDBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NC(C)(C)C 6830810 VDHLVXXVBJMKDD-UHFFFAOYSA-N 353.375 1.725 5 40 FDBB CSCC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C(=O)O 3166798 MQKVVMXFBDYRID-SNVBAGLBSA-N 362.791 1.950 5 40 FDBB COCCN(CCOC)C(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1 3246786 YYUQHXZJQWAVEL-UHFFFAOYSA-N 354.359 1.181 5 40 FDBB O=c1oc2ccc([N+](=O)[O-])cc2n1CN(C1CC1)[C@H]1CCS(=O)(=O)C1 12933090 QOYPKXOHIVRPPK-LBPRGKRZSA-N 367.383 1.112 5 40 FDBB Cc1cc(=O)c(C(=O)Nc2cnn(C)c2)nn1-c1ccccc1[N+](=O)[O-] 25306916 ZQFVTXHCJMBQGB-UHFFFAOYSA-N 354.326 1.435 5 40 FDBB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 3849478 SEFDSXVPQNHTFZ-GFCCVEGCSA-N 358.306 1.724 5 40 FDBB biogenic COc1ccc(CN2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)cc1OC 32777862 GBGGPKRHBULUBF-UHFFFAOYSA-N 374.401 1.306 5 40 FDBB Cn1c(=O)n(C)c2cc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3)ccc21 51133888 ZBWZWVVIUJWDFD-UHFFFAOYSA-N 363.351 1.553 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 58137352 SVBUVZYMOLKUJD-CHWSQXEVSA-N 355.416 1.045 5 40 FDBB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1 14165534 FKQRKUGGFOIVIV-NWDGAFQWSA-N 367.383 1.087 5 40 FDBB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2=O 9450159 URXKKUMJFNOSMK-BMLIUANNSA-N 360.370 1.694 5 40 FDBB C[C@@H]1OC2(C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([N+](=O)[O-])c2)CN(C)C1=O 1889004258 OPSDKUATLXWSIU-ACUBGWOVSA-N 373.409 1.978 5 40 FDBB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N(C)C)c([N+](=O)[O-])c1 10331160 QPYJYAUUZCTQDV-CQSZACIVSA-N 360.370 1.854 5 40 FDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1 32469552 UCRXEAGZIIWEKW-NSHDSACASA-N 356.400 1.793 5 40 FDBB Cc1c(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cccc1[N+](=O)[O-] 9140157 KOTQHQLTHJKSRQ-UHFFFAOYSA-N 363.403 1.673 5 40 FDBB CC(C)(C)N1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 7451283 OZDABJZIEHBBDC-CQSZACIVSA-N 374.441 1.890 5 40 FDBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc2c(c1)OCO2 408570190 ZTHYETIBLAHIDE-WIWXSTTASA-N 367.361 1.984 5 40 FDBB CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@H](CN(C)c2cccnn2)C1 619486016 FCLBFBNYSPKQCA-CYBMUJFWSA-N 361.406 1.251 5 40 FDBB O=C1[C@H]2CCCN2C(=O)N1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19911479 PDOCBLJTWVGXDE-MRXNPFEDSA-N 373.413 1.143 5 40 FDBB O=C(C1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1)N1CCOCC1 58304048 SNNHCOXGDDURJE-UHFFFAOYSA-N 359.386 1.318 5 40 FDBB CCCNC(=O)C[C@H](C(N)=O)N(CCC)Cc1ccc([N+](=O)[O-])cc1 96007150 UZMVSOZXFCLCLF-OAHLLOKOSA-N 350.419 1.577 5 40 FDBB CCCn1c(=O)c2ccc3c(=O)n(CCC)c(=O)c4ccc(c1=O)c2c34 9225121 CGIJXVNITZPSPZ-UHFFFAOYSA-N 350.374 1.886 5 40 FDBB Cc1ccc(Nc2nc(NCCOCCO)nc(N)c2[N+](=O)[O-])cc1C 4306079 CYQPREVGHLCWPN-UHFFFAOYSA-N 362.390 1.748 5 40 FDBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)OCO2 8181140 QJOQYVYYTQPXBK-UHFFFAOYSA-N 357.322 1.370 5 40 FDBB O=C1C[C@@]2(CCSC2)C(=O)N1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 69948310 JAYFFZBHTWNIFL-MLGOLLRUSA-N 366.395 1.217 5 40 FDBB O=C1C[C@H](N2CCC3(CC2)OCCO3)C(=O)N1c1cccc([N+](=O)[O-])c1 17946082 RCNFPZBEFIRCHV-AWEZNQCLSA-N 361.354 1.066 5 40 FDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)c3ccccc3[N+](=O)[O-])cc21 408528902 GGONDFTTWIFQJT-UHFFFAOYSA-N 371.309 1.946 5 40 FDBB COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 6788324 IWAJLYOPGPBBSI-UHFFFAOYSA-N 362.791 1.822 5 40 FDBB Cc1noc(CNC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)n1 70655664 WIUWUCITKDXARX-UHFFFAOYSA-N 363.330 1.048 5 40 FDBB Cc1ccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c(O)c1 7960385 SEFRWVWWLQAZOB-UHFFFAOYSA-N 357.322 1.973 5 40 FDBB CC1CCC2(CC1)NC(=O)N(NC(=O)Cc1ccccc1[N+](=O)[O-])C2=O 18023767 TVXWSULUOCAUKQ-UHFFFAOYSA-N 360.370 1.669 5 40 FDBB C[C@H](C(=O)O)N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O 98087107 IADJUXFIFVUQSC-ZCFIWIBFSA-N 359.250 1.725 5 40 FDBB Cc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1[N+](=O)[O-] 105631576 PYAXSVLBGOMHPT-MICXRRPDSA-N 356.359 1.738 5 40 FDBB CCCCNC(=O)OCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4957110 YOTGQSBSNOURQF-UHFFFAOYSA-N 359.404 1.790 5 40 FDBB COc1ccccc1N1C(=O)[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]2C1=O 103975778 CLNZFHSJWMAOSN-GOEBONIOSA-N 367.317 1.896 5 40 FDBB C[C@@H](O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 84637294 FWYINBOJAWCPGR-SSDOTTSWSA-N 353.194 1.407 5 40 FDBB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C2=O 18038851 XSVCJWMRMRSBBD-UHFFFAOYSA-N 362.342 1.446 5 40 FDBB O=C1NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@@H]2[C@@H]3C=C[C@@H]([C@@H]12)C31CC1 169616551 VXATYHIRCKFCEU-DUBDDPSESA-N 370.321 1.709 5 40 FDBB COc1ccc([C@@H]2C([N+](=O)[O-])=C(N)Oc3cc(C)oc(=O)c32)cc1OC 1059672 TWFZDAYYMZIDBB-ZDUSSCGKSA-N 360.322 1.894 5 40 FDBB CC[C@@H](C)N(C(=O)Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 7391526 HMXPXDWBXYCEJF-ZWNOBZJWSA-N 372.447 1.222 5 40 FDBB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c([N+](=O)[O-])cc1OC 409135760 QMSVAOZUPNQJOL-NYYWCZLTSA-N 368.323 1.733 5 40 FDBB CS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1ccc([N+](=O)[O-])cc1 96519715 AONGJHJJDSRGLD-BDAKNGLRSA-N 358.597 1.960 5 40 FDBB CCN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(OC)cc3)n2)CC1 4306113 FAZNITNQAIQMTR-UHFFFAOYSA-N 373.417 1.861 5 40 FDBB COc1ccc(OC)c2c1CN(Cn1nc(C)c([N+](=O)[O-])c1C)C[C@H]2O 29543422 SBVJICGMXJJUOM-CYBMUJFWSA-N 362.386 1.932 5 40 FDBB O=C(OCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 25355629 UMWMUQALUWGBMB-UHFFFAOYSA-N 373.365 1.689 5 40 FDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 101014692 QLVMXYZTUVQCPF-CDSWZMAWSA-N 367.361 1.586 5 40 FDBB CCN1CCN(c2nc(Nc3cccc(OC)c3)nc(N)c2[N+](=O)[O-])CC1 5156697 GUJPTWVKRLSEGF-UHFFFAOYSA-N 373.417 1.861 5 40 FDBB COc1ccc(S(=O)(=O)NNc2nc(C)cc(C)n2)cc1[N+](=O)[O-] 15934614 NTZQBPTZXLIUQG-UHFFFAOYSA-N 353.360 1.316 5 40 FDBB COCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C1=O 409123739 DLXCYEVEEVSJPX-IZZDOVSWSA-N 354.340 1.992 5 40 FDBB CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c1O 409139875 BXRQEXIVEDVOPL-ONNFQVAWSA-N 368.323 1.820 5 40 FDBB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 5787845 ZVXKVLJEVZFELD-CYBMUJFWSA-N 365.367 1.679 5 40 FDBB Cn1c(=O)c2c(SCc3cccc([N+](=O)[O-])c3)ccnc2n(C)c1=O 10217098 QERPIQYAHMPMQN-UHFFFAOYSA-N 358.379 1.833 5 40 FDBB CC(=O)N[C@H]1CCCC[C@@]12CN(Cc1ccc([N+](=O)[O-])c(O)c1)CCO2 306127528 GASPCBLIBSGSJW-ZWKOTPCHSA-N 363.414 1.950 5 40 FDBB O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCN(Cc2ccc(F)cc2)CC1 53836105 CZXDAMRGONIWNA-UHFFFAOYSA-N 362.365 1.060 5 40 FDBB Cc1cccc(NC(=O)CNC(=O)COc2cccnc2[N+](=O)[O-])c1C 5971511 RODNGGLWHUCYBA-UHFFFAOYSA-N 358.354 1.740 5 40 FDBB CC[N+](CC)(CC)CCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 5884573 LFDRQHONPOADRH-UHFFFAOYSA-O 350.483 1.956 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2nccs2)CC1 12975527 NJZRRMSGQVEBGC-UHFFFAOYSA-N 368.440 1.871 5 40 FDBB Cc1[nH]nc(C(=O)N[C@H](Cc2ccccc2)Cc2c[nH]cn2)c1[N+](=O)[O-] 89522601 QOFUKGLPKARIRA-CYBMUJFWSA-N 354.370 1.933 5 40 FDBB O=[N+]([O-])c1cnc(N(CCC(F)(F)F)C[C@H](O)CO)nc1NC1CC1 75109317 RGSDBCJOIYCZIZ-VIFPVBQESA-N 365.312 1.071 5 40 FDBB CC(C)(S[C@H]1CC(=O)N(c2ccccc2[N+](=O)[O-])C1=O)[C@H](N)C(=O)O 6364149 SCDPTTDPWGMGSY-CMPLNLGQSA-N 367.383 1.150 5 40 FDBB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N1 9926902 PKJOMPSURPXUOA-RYUDHWBXSA-N 367.383 1.087 5 40 FDBB COc1ccc(OC)c2c1CN(Cn1nc(C)c([N+](=O)[O-])c1C)C[C@@H]2O 29543420 SBVJICGMXJJUOM-ZDUSSCGKSA-N 362.386 1.932 5 40 FDBB CCN(C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 14242850 YGLRJMQMYUFHGD-NWDGAFQWSA-N 356.400 1.398 5 40 FDBB O=C(NCCN1CCOCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 50536144 KGQHZORXSIHSOB-UHFFFAOYSA-N 362.411 1.780 5 40 FDBB O=C(c1ccc(O)nn1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 24742911 XUVCOMGQJZDHSN-UHFFFAOYSA-N 363.761 1.706 5 40 FDBB O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CCS(=O)(=O)C1 96013016 QWUZXVDZFWTJTQ-MRVPVSSYSA-N 367.305 1.922 5 40 FDBB Nc1nc(NCCN2CCOCC2)nc(Nc2ccccc2)c1[N+](=O)[O-] 19827967 NJKQJBPJFXNZFN-UHFFFAOYSA-N 359.390 1.455 5 40 FDBB O=c1c2ccc(F)cc2ncn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 9690517 CPFKTQNOOQLDEN-CYBMUJFWSA-N 359.313 1.884 5 40 FDBB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc([N+](=O)[O-])cc1 71980130 HGDYQELKCICACS-CQSZACIVSA-N 363.370 1.332 5 40 FDBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1 15973615 RWTCJPLWROJXGQ-LBPRGKRZSA-N 350.352 1.713 5 40 FDBB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 10332478 CRZFYMBVAOXEPB-UHFFFAOYSA-N 356.404 1.052 5 40 FDBB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 6047421 LISNIYYZAKQQLL-UHFFFAOYSA-N 351.702 1.677 5 40 FDBB O=C(NCCCO)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 4836900 NDBZPWHNCLWQNZ-SDNWHVSQSA-N 359.338 1.457 5 40 FDBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c([N+](=O)[O-])cc1OC 72328161 KXHPUIKUPJRLJV-ONEGZZNKSA-N 364.270 1.480 5 40 FDBB CNC(=O)[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 40155593 QMLUYJBGTZTPCG-HNNXBMFYSA-N 363.395 1.898 5 40 FDBB CNS(=O)(=O)c1ccc(NC[C@@H](CC(C)C)N(C)C)c([N+](=O)[O-])c1 24758558 IPNBLXOLZBDVEU-GFCCVEGCSA-N 358.464 1.891 5 40 FDBB Cc1ccc(OC[C@H](O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 7205179 HKOOQWOCCVTOAR-GFCCVEGCSA-N 356.334 1.939 5 40 FDBB 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O=[N+]([O-])c1ccn(Cc2nc3c4cnn(-c5ccccc5)c4ncn3n2)n1 2808901 BUUKWUVQLRIHAR-UHFFFAOYSA-N 361.325 1.616 5 40 FDBB COc1cc(NC(=O)COC(=O)c2cnc(C)cn2)c(C)cc1[N+](=O)[O-] 4863545 HLJIGYSOTLIAJT-UHFFFAOYSA-N 360.326 1.806 5 40 FDBB Nc1nc(N)nc(-c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])n1 1723728 IGJYUOGBFDFTPE-UHFFFAOYSA-N 351.326 1.864 5 40 FDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1[N+](=O)[O-] 8663689 RKCVBQZAXKQLOL-UHFFFAOYSA-N 370.277 1.738 5 40 FDBB Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1[N+](=O)[O-] 4868776 DJGFPUPZNRTCBV-UHFFFAOYSA-N 371.305 1.548 5 40 FDBB CCOC(=O)C1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 244942729 CWSFECIHFFUYTQ-UHFFFAOYSA-N 357.388 1.022 5 40 FDBB CCn1ccc(CN(C)C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)n1 2796678 NQGRPVDEGWRYIZ-UHFFFAOYSA-N 369.385 1.723 5 40 FDBB Cc1cccn2c(=O)cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)nc12 72427441 JTDOXAPTNXVKOO-UHFFFAOYSA-N 355.306 1.896 5 40 FDBB CCOC(=O)c1sc(NC(=O)CCn2cnc([N+](=O)[O-])c2)nc1C 24752809 FIWOCVIPYUABPP-UHFFFAOYSA-N 353.360 1.762 5 40 FDBB Cc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 8399795 QFTARUFYIGJZGX-UHFFFAOYSA-N 371.396 1.351 5 40 FDBB Cc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 32932033 QMGQFZUEDNFINB-KBPBESRZSA-N 367.427 1.773 5 40 FDBB O=C(c1cccc([N+](=O)[O-])c1)[C@H](C(=O)N1CCOCC1)n1ccccc1=O 199403770 DOAWUBDWJXTVJR-MRXNPFEDSA-N 371.349 1.039 5 40 FDBB CS(=O)(=O)N1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 40058018 BJANSVKXOCSRFD-BQYQJAHWSA-N 353.400 1.102 5 40 FDBB C[C@H](C(=O)O)N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 16322434 ZOJJLYPUPRRRRG-ZCFIWIBFSA-N 359.250 1.725 5 40 FDBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O)N1CCCC1 205855754 BDQOQWNUSIOJAW-JXMROGBWSA-N 351.340 1.847 5 40 FDBB COc1ccc(CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1F 32819303 ZXENUEZYMDRYMQ-RDJZCZTQSA-N 350.346 1.927 5 40 FDBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)CN3C(=O)CCC3=O)nc12 9404078 SVUXQQVNQRGCCK-UHFFFAOYSA-N 364.339 1.301 5 40 FDBB 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O=C(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 408623159 RBKVFPPDKBIDOV-WQAPVAGSSA-N 352.346 1.717 5 40 FDBB Cn1c(CN2CCOCC2)nnc1Sc1ccc(C=O)cc1[N+](=O)[O-] 408604418 IUPROFHLGRYSBC-UHFFFAOYSA-N 363.399 1.519 5 40 FDBB O=c1c2cc3c(=O)n(-c4ccn[nH]4)ccc3nc2ccn1Cc1ccccn1 40399067 IWOPCEBGEGTJGN-UHFFFAOYSA-N 370.372 1.867 5 40 FDBB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 13011974 KFYXEQOKGWQTQI-UHFFFAOYSA-N 363.395 1.612 5 40 FDBB CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 24753335 LHAHDNUVECAMJJ-JGVFFNPUSA-N 357.750 1.643 5 40 FDBB CCOC(=O)C1=C(COC(=O)c2cccc(C)c2[N+](=O)[O-])NC(=O)NC1 12979798 GYCPOKDRFGYXLK-UHFFFAOYSA-N 363.326 1.190 5 40 FDBB O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccncc3)nn12 6505938 VKJTVXDOIAVPIO-UKTHLTGXSA-N 351.347 1.669 5 40 FDBB CCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)n[nH]c1=O 16043854 XGGILGDSDRTHNR-UHFFFAOYSA-N 367.387 1.629 5 40 FDBB COCCN(c1ccncc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 83902791 MHTRCIGXJRGTDS-UHFFFAOYSA-N 367.383 1.840 5 40 FDBB CS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3[nH]cnc3C2)cc([N+](=O)[O-])c1 89490016 FWSXRFFIARAKJN-JTQLQIEISA-N 364.383 1.009 5 40 FDBB CC[C@@H]1CO[C@H](C)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 32768437 RPTKVGMDZKVWFR-VXGBXAGGSA-N 363.370 1.346 5 40 FDBB NC(=O)c1ccc(Cn2nnn(-c3ccccc3Cl)c2=O)c([N+](=O)[O-])c1 10198619 AUFIOKRDQQIKQD-UHFFFAOYSA-N 374.744 1.138 5 40 FDBB Cc1cccn2c(=O)cc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)nc12 25399950 ONNFJQMZWZERBU-UHFFFAOYSA-N 364.317 1.707 5 40 FDBB O=C(Cn1nc([N+](=O)[O-])nc1Br)c1ccc([N+](=O)[O-])cc1 4994470 FUPYAOTZCFQFCS-UHFFFAOYSA-N 356.092 1.740 5 40 FDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCCOc1ccccc1 4313672 VCLBZWOURDWISL-UHFFFAOYSA-N 370.317 1.813 5 40 FDBB CCc1nnc(COC(=O)c2ccc(NCCOC)c([N+](=O)[O-])c2)o1 29892816 AADOAFAQJRLSOJ-UHFFFAOYSA-N 350.331 1.956 5 40 FDBB Cc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc([N+](=O)[O-])cc2)CN=3)o1 5092596 BGFVGEMRCOOZIU-NVNXTCNLSA-N 370.390 1.603 5 40 FDBB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 16751844 CGDQESVTSDHNKE-UHFFFAOYSA-N 356.747 1.694 5 40 FDBB C[C@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)Nc1ccc(N(C)C)cc1 95466483 OJRUTBIYUFFZQU-JTQLQIEISA-N 373.369 1.822 5 40 FDBB O=[N+]([O-])c1ccc(-n2nc3cc([N+](=O)[O-])c4nonc4c3n2)c([N+](=O)[O-])c1 8497828 VIPCFOKCMJUWRD-UHFFFAOYSA-N 372.213 1.681 5 40 FDBB Cc1nc(S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)O)n[nH]1 409193661 KLIXQNPYDARHBX-JYOAFUTRSA-N 350.312 1.968 5 40 FDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 40105043 LKINEXRVAZXVIQ-NSHDSACASA-N 355.416 1.366 5 40 FDBB O=c1c2cc3c(=O)n(-c4ccn[nH]4)ccc3nc2ccn1Cc1ccncc1 40399069 LMQAWILMEWITBA-UHFFFAOYSA-N 370.372 1.867 5 40 FDBB O=[N+]([O-])c1ccc2c(cnn2CN2CCC(CN3CCOCC3)CC2)c1 48273838 GUJVNBPCZNDITG-UHFFFAOYSA-N 359.430 1.946 5 40 FDBB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]2C=C[C@H]1C2 102179856 RVRXKNMUJNHZMO-PYTWLRIVSA-N 371.393 1.766 5 40 FDBB O=C(CCNC(=O)c1ccccc1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 12918436 AAAJAXWGGSBUFH-MRXNPFEDSA-N 357.366 1.565 5 40 FDBB CSc1n[nH]c(-n2ccc3nc4ccn(C5CC5)c(=O)c4cc3c2=O)n1 40398859 WMQPZOSUKUKQHL-UHFFFAOYSA-N 366.406 1.876 5 40 FDBB O=C(COC(=O)CN1CCCCCC1=O)Nc1cc([N+](=O)[O-])ccc1F 5781911 PNJOMNDSLWVBFK-UHFFFAOYSA-N 367.333 1.618 5 40 FDBB Cc1c(C)n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nnc2[nH]c1=O 12237596 WTGKEFPEMUVIBE-UHFFFAOYSA-N 374.382 1.673 5 40 FDBB CCCNC(=O)C[C@@H](C(N)=O)N(CCC)Cc1ccc([N+](=O)[O-])cc1 96007149 UZMVSOZXFCLCLF-HNNXBMFYSA-N 350.419 1.577 5 40 FDBB CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 78876349 CWYFKVXNRBHLON-UHFFFAOYSA-N 364.221 1.293 5 40 FDBB COc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1[N+](=O)[O-] 3358370 COBZKLJRCSIUPC-UHFFFAOYSA-N 365.342 1.529 5 40 FDBB CC(C)OCCCN1CC2=C(C1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N2 14246125 IDQBNHWZCGLOEL-MRXNPFEDSA-N 374.397 1.860 5 40 FDBB C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@H](C)C3)n2)C[C@@H](C)O1 18207220 JLOPEXXOVOGYRH-BKUVIOGVSA-N 366.422 1.194 5 40 FDBB CC(C)OCCCN[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O 5257944 GFNSTJHHRMHUJW-AWEZNQCLSA-N 353.375 1.781 5 40 FDBB COc1ccccc1N1C(=O)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O 103975771 CLNZFHSJWMAOSN-HOCLYGCPSA-N 367.317 1.896 5 40 FDBB COC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1 41154567 XNESHNLUUHACQZ-CQSZACIVSA-N 365.386 1.419 5 40 FDBB COC(=O)c1cn(CN(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)nn1 54497132 DHXSDKDWAQLCQJ-UHFFFAOYSA-N 373.291 1.995 5 40 FDBB COc1ccccc1Nc1nc(NCCOCCO)nc(N)c1[N+](=O)[O-] 9312033 FUDASPJSFNGHBY-UHFFFAOYSA-N 364.362 1.140 5 40 FDBB Cn1c(CN2CCOCC2)nnc1Sc1ccc([N+](=O)[O-])cc1C=O 408603977 HYNKTANLCOPYOS-UHFFFAOYSA-N 363.399 1.519 5 40 FDBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)N1CCCC1 14242912 KMLGJORKURLCNR-NWDGAFQWSA-N 363.370 1.267 5 40 FDBB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 8924352 DQGNBXXSDJRBAL-UHFFFAOYSA-N 367.365 1.601 5 40 FDBB C[C@H]1CN([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 26840783 UHXGXHZAYIZSJM-UPJWGTAASA-N 357.432 1.371 5 40 FDBB CCCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n[nH]c1=O 13637506 SCEMLQMEDZMNJP-UHFFFAOYSA-N 367.387 1.629 5 40 FDBB Cc1ccc(O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 7821648 BQWSZDPNFZYHSS-NEPJUHHUSA-N 356.400 1.316 5 40 FDBB NC(=O)c1ccnc(N[C@H](CO)Cc2c[nH]c3ccccc23)c1[N+](=O)[O-] 562240229 UBGXAVZBUDOXPR-NSHDSACASA-N 355.354 1.586 5 40 FDBB Cc1nn(-c2ccccc2)c(N)c1[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21 4948747 FWUURSFWONSINN-GOSISDBHSA-N 365.349 1.859 5 40 FDBB CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 8286268 IHOYZWMCJHICEY-UHFFFAOYSA-N 367.358 1.993 5 40 FDBB Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1nc2nccc(C)n2n1 9962385 UEQUVXNCDWVSIU-UHFFFAOYSA-N 370.325 1.445 5 40 FDBB COC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O 205749559 CGMYNQREUNDTMG-IZZDOVSWSA-N 352.324 1.813 5 40 FDBB O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](N2CC=CC2)C1 101277861 OPKZIZCMYTWEAF-MRXNPFEDSA-N 353.382 1.867 5 40 FDBB O=C1NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]12)C31CC1 169616552 VXATYHIRCKFCEU-ZNIXKSQXSA-N 370.321 1.709 5 40 FDBB CNC(=O)C1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 29161900 XNDLSWIRTGWHLJ-LLVKDONJSA-N 364.402 1.388 5 40 FDBB Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 24832803 IGLIWNVTMSGIQO-UHFFFAOYSA-N 363.395 1.612 5 40 FDBB CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 9483147 RUCPNNWCOQOMKP-CABCVRRESA-N 361.446 1.807 5 40 FDBB Cn1cc(S(=O)(=O)N2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])n1 84314123 PYVYQTRHJHRAID-LBPRGKRZSA-N 351.388 1.203 5 40 FDBB O=C(NC1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1)C1CC1 55017830 BILBQFBRFUUWTR-UHFFFAOYSA-N 372.223 1.502 5 40 FDBB COc1cccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c1OCC(=O)O 12371660 YFOGEHLJFQNLRN-AATRIKPKSA-N 363.282 1.026 5 40 FDBB CC(C)(S[C@H]1CC(=O)N(c2ccccc2[N+](=O)[O-])C1=O)[C@@H](N)C(=O)O 6364154 SCDPTTDPWGMGSY-JQWIXIFHSA-N 367.383 1.150 5 40 FDBB CS(=O)(=O)N1CCC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 58169078 NJAAJYPDOQXROK-NSHDSACASA-N 350.400 1.979 5 40 FDBB O=C(C1=NN[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1ccccc1 4693692 DLAIKQNQMALZCB-DZGCQCFKSA-N 364.317 1.295 5 40 FDBB O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NC(=O)NCc1ccco1 5958541 OTCPGHYIMZZLBH-UHFFFAOYSA-N 361.310 1.300 5 40 FDBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc([N+](=O)[O-])c1O 409132056 KUIHVYZUJFHZHS-BJMVGYQFSA-N 368.323 1.820 5 40 FDBB O=C(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCCN1CCOCC1 20130817 IXPDTNJXUNDRIW-UHFFFAOYSA-N 364.402 1.152 5 40 FDBB Nn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1C(F)(F)F 216905179 HOPVGWDANHVZAG-UHFFFAOYSA-N 350.238 1.978 5 40 FDBB CN1CCN(CCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 13672992 KFMYJUUWGNKLRZ-UHFFFAOYSA-N 366.487 1.582 5 40 FDBB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 169480261 XDDIETTXSKTQLA-JCKWVBRZSA-N 355.394 1.909 5 40 FDBB COCCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC 9239049 YILZGVNGBLDXJO-HWKANZROSA-N 363.326 1.176 5 40 FDBB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2)cc1[N+](=O)[O-] 4700742 XZNXGZUQGPLIMD-UHFFFAOYSA-N 363.395 1.612 5 40 FDBB C[C@@]1(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CCS(=O)(=O)C1 84673534 CUHZDICGFSSKMX-LYKUJDHUSA-N 358.803 1.955 5 40 FDBB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 226862563 XXQYOGBDANIFCU-ZDUSSCGKSA-N 368.342 1.708 5 40 FDBB CN(C)S(=O)(=O)c1ccc(OCCOc2cccnc2[N+](=O)[O-])cc1 25049882 SSILWDFZIURUMS-UHFFFAOYSA-N 367.383 1.698 5 40 FDBB O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 57158240 HFBXVYWQANBYFL-GOSISDBHSA-N 371.393 1.895 5 40 FDBB C/C=C1\C[N+]2(C)[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H](O)[C@]4(C[C@@H]12)c1ccccc1N[C@H]34 35585662 CZPDTQCCDJQAJE-DRIVOLBVSA-N 367.469 1.820 5 40 FDBB O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H]1[C@H](O)C(F)(F)F 534729695 YRVIDXRHNMEWFF-UFBFGSQYSA-N 362.260 1.851 5 40 FDBB C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1 9364312 HHHXWBZWGUWOIF-VIFPVBQESA-N 366.355 1.043 5 40 FDBB O=C1[C@@H]2CCCCN2C(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19911471 RBPMCJHRNUABHO-INIZCTEOSA-N 373.413 1.491 5 40 FDBB CC(=O)c1ccc(N2CCCN(CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 26705473 FLAOLLNWYPZEIF-UHFFFAOYSA-N 374.441 1.932 5 40 FDBB O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)cc1 33014978 LNQDAXSMMQUWOW-MSOLQXFVSA-N 365.430 1.273 5 40 FDBB Cc1nnc(SCCOc2ccccc2[N+](=O)[O-])n1CC(=O)N(C)C 58224097 YKAJZNUIHSBYBU-UHFFFAOYSA-N 365.415 1.754 5 40 FDBB Cc1nn(CC(=O)NC2CCN(Cc3ccccn3)CC2)c(C)c1[N+](=O)[O-] 48363822 HBSZMUDZYDDJGZ-UHFFFAOYSA-N 372.429 1.584 5 40 FDBB O=C1C[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1 20494964 IZXRZXZPSWUUIY-GFCCVEGCSA-N 372.303 1.151 5 40 FDBB C[C@H]1CN(c2nc(N3C[C@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 18152456 JLOPEXXOVOGYRH-FIQHERPVSA-N 366.422 1.194 5 40 FDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCN1C[C@H](C)O[C@H](C)C1 46033970 IOBUKYJAZAEWGY-OKILXGFUSA-N 371.459 1.681 5 40 FDBB C[C@@H]1CN(C[C@@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 106147617 SXUSGEADOUPGAU-CKEIUWERSA-N 360.414 1.928 5 40 FDBB NS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2[N+](=O)[O-])cc1 9252516 HWWXJEBQJYGQLN-UHFFFAOYSA-N 350.356 1.564 5 40 FDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc2c(c1)OCCO2 5220944 OHLOQDUPDCLQKB-UHFFFAOYSA-N 368.301 1.845 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc[n+]([O-])c1 6566619 HRHSEORAKUBTHO-JTQLQIEISA-N 361.310 1.421 5 40 FDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 72331206 RCTOOQMHDYMGKV-UHFFFAOYSA-N 367.361 1.649 5 40 FDBB O=[N+]([O-])c1ccc([C@@H](c2nnnn2-c2ccccc2)N2CCOCC2)cc1 85722614 IAGKFPCQXVOAQI-KRWDZBQOSA-N 366.381 1.992 5 40 FDBB CN(C)c1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1[N+](=O)[O-] 12544959 WJJQDFNTQQCFGD-UHFFFAOYSA-N 372.429 1.951 5 40 FDBB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 3849463 HSMNZZGCJBKXHD-GFCCVEGCSA-N 357.322 1.459 5 40 FDBB CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCC2)c1=N 100560178 LBIFDVNEGZHVAM-UHFFFAOYSA-N 351.410 1.993 5 40 FDBB CN(C)C(=O)[C@@H]1CN(C(=O)CCn2cnc([N+](=O)[O-])c2)c2ccccc2O1 22967420 UWTZQEHZFSVCDO-AWEZNQCLSA-N 373.369 1.064 5 40 FDBB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 9570887 GBINXELHICFXSB-UHFFFAOYSA-N 360.280 1.779 5 40 FDBB O=C1NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@@H]2C12CC2 100057844 VXATYHIRCKFCEU-TXFQPVFDSA-N 370.321 1.709 5 40 FDBB CS(=O)(=O)NC[C@H]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1 32923715 GGQZTXKJHSORSD-LLVKDONJSA-N 353.404 1.008 5 40 FDBB Cn1cc(C(=O)NC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 48343474 SPNWXGCUBVVCHD-UHFFFAOYSA-N 357.370 1.363 5 40 FDBB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)no1 12922011 KTJWSSZSCMRPDU-MRVPVSSYSA-N 363.282 1.804 5 40 FDBB COC(=O)c1ccc(Sc2nnc(C(F)(F)F)n2N)c([N+](=O)[O-])c1 78406479 LUEDMTBFHIKVFC-UHFFFAOYSA-N 363.277 1.857 5 40 FDBB COC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2C)o1 10385713 FGGKJQNOXPODGU-UHFFFAOYSA-N 366.355 1.481 5 40 FDBB Cc1ccc(NC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1[N+](=O)[O-] 31780360 HVTRSQZVVWEECE-UHFFFAOYSA-N 355.397 1.793 5 40 FDBB O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 4888520 LBLTZDSFUPJFLL-UHFFFAOYSA-N 362.386 1.241 5 40 FDBB O=C(Cn1cccc([N+](=O)[O-])c1=O)NCC1(c2ccccc2)CCOCC1 58162270 FVEZGQZABKQSLA-UHFFFAOYSA-N 371.393 1.621 5 40 FDBB CCOC(=O)c1cc([N+](=O)[O-])c(N2CCN(CC)CC2)c([N+](=O)[O-])c1 26508851 HYBHKSYHGLMAKS-UHFFFAOYSA-N 352.347 1.822 5 40 FDBB Cc1ccc2nc3nc(NCc4cccnc4)c(C(N)=O)cc3c(=O)n2c1 13162945 HACUUBUPCANQQF-UHFFFAOYSA-N 360.377 1.657 5 40 FDBB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 3849476 SEFDSXVPQNHTFZ-LBPRGKRZSA-N 358.306 1.724 5 40 FDBB biogenic O=C1c2ccccc2S(=O)(=O)N1S(=O)(=O)c1ccccc1[N+](=O)[O-] 16524406 JIMGSUSXKAZWEQ-UHFFFAOYSA-N 368.348 1.128 5 40 FDBB O=C(OCC(=O)N1CCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4839527 GZQNMVGULJJGPG-UHFFFAOYSA-N 363.370 1.211 5 40 FDBB NC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4899705 SLFUSGBNVYEJGY-AWEZNQCLSA-N 356.338 1.207 5 40 FDBB COc1ccccc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 9112107 JDHMFMNJZYDAPJ-UHFFFAOYSA-N 357.322 1.968 5 40 FDBB COc1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C(=O)O)c1 95432814 VJTGMCRIZATNID-UHFFFAOYSA-N 368.323 1.808 5 40 FDBB COc1cc(C(=O)N[C@@H](C)Cn2cccn2)c([N+](=O)[O-])c(OC)c1OC 24806849 VKNZPRJUTGRXFE-JTQLQIEISA-N 364.358 1.636 5 40 FDBB Cn1c(=O)c2c(O)c(I)c(=O)oc2c2ccccc21 6666631 LFMLHCSDXAFKQB-UHFFFAOYSA-N 369.114 1.955 5 40 FDBB Nc1ccc(NC(=O)C[C@H](NCc2cccnc2)C(=O)O)cc1[N+](=O)[O-] 72438833 PVHWFPZPXJGRAB-ZDUSSCGKSA-N 359.342 1.144 5 40 FDBB Cc1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 32932037 QMGQFZUEDNFINB-UONOGXRCSA-N 367.427 1.773 5 40 FDBB COC(=O)C1=C(C)N(O)C(C)=C(C(=O)O)[C@@]1(O)c1cccc([N+](=O)[O-])c1 83318711 CZJCRUOHBLTKCY-INIZCTEOSA-N 364.310 1.293 5 40 FDBB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 15441611 GKPJXAMPAJHSEN-UHFFFAOYSA-N 373.387 1.066 5 40 FDBB Cc1nn(CC(=O)N2CCN(c3ccccc3F)CC2)c(C)c1[N+](=O)[O-] 7239462 MXEZJWBMWTXZRH-UHFFFAOYSA-N 361.377 1.896 5 40 FDBB Nc1ccc(NC(=O)C[C@@H](NCc2cccnc2)C(=O)O)cc1[N+](=O)[O-] 72438835 PVHWFPZPXJGRAB-CYBMUJFWSA-N 359.342 1.144 5 40 FDBB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])nc2n1 9124962 UBIRPTGYYSASPB-UHFFFAOYSA-N 370.325 1.445 5 40 FDBB CNC1=C([N+](=O)[O-])CC([N+](=O)[O-])=C(NCc2ccc(Cl)cc2)N1C 3190013 VBRMZRDZRRRRBF-UHFFFAOYSA-N 353.766 1.876 5 40 FDBB COc1ccccc1-n1nnnc1SCCn1cc([N+](=O)[O-])nc1C 679242 OBAOZGNMGIPRGU-UHFFFAOYSA-N 361.387 1.876 5 40 FDBB CCOC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)NN=C2C[C@@]1(C)O 100642340 KONHVAPSKTWBQT-SZOQZIPDSA-N 361.354 1.114 5 40 FDBB O=C(O)CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 3887120 WOKURNVOTCOPJS-UHFFFAOYSA-N 355.328 1.163 5 40 FDBB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 9596567 GMUFVLVDOOURQA-UHFFFAOYSA-N 359.404 1.139 5 40 FDBB O=C(COc1nsnc1N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 12136875 NGGUJWJJDOVLQB-UHFFFAOYSA-N 365.371 1.300 5 40 FDBB O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccccc2)CC1 9483440 XEJDPTRYERYMCG-UHFFFAOYSA-N 369.377 1.958 5 40 FDBB O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 58216253 NALNYHAUYGEYFY-ZDUSSCGKSA-N 360.322 1.493 5 40 FDBB O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1c1nnc2n1CCCCC2 36395074 VGKBXZCJMVQSOB-ZDUSSCGKSA-N 359.390 1.473 5 40 FDBB CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Oc1ccccc1[N+](=O)[O-] 196760161 KSOSHRILCLONAA-SECBINFHSA-N 353.331 1.269 5 40 FDBB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1[N+](=O)[O-] 5272452 VJHOMJLVANGBNJ-UHFFFAOYSA-N 361.335 1.378 5 40 FDBB CCOC(=O)[C@H]1C(=O)N=C(N2CCCCC2)N[C@H]1c1cccc([N+](=O)[O-])c1 14162910 RFGMMIIJMZSGAZ-CABCVRRESA-N 374.397 1.787 5 40 FDBB CCCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1C 103627603 XFWFPMHWXWVXHM-FXBPSFAMSA-N 368.393 1.590 5 40 FDBB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cc(OCC(F)F)cc([N+](=O)[O-])c1 2730759 WUVVJOJHDPVBOU-WVKUQDAKSA-N 368.292 1.906 5 40 FDBB O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(CCc2ccccn2)CC1 20897235 DWPRXCZOKKXHKD-UHFFFAOYSA-N 370.409 1.756 5 40 FDBB COC(=O)c1ccc(S(=O)(=O)NCCc2ccccn2)c([N+](=O)[O-])c1 32770550 GPNFWGKZTLDOIC-UHFFFAOYSA-N 365.367 1.297 5 40 FDBB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cc(OCC(F)F)cc([N+](=O)[O-])c1 103155576 WUVVJOJHDPVBOU-OXHZDVMGSA-N 368.292 1.906 5 40 FDBB O=C(NCCNC1=NS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 59474900 CKYWPICZHGVQEO-UHFFFAOYSA-N 374.378 1.063 5 40 FDBB CC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 6542911 KNUWUFSIRCRIKK-UHFFFAOYSA-N 369.443 1.852 5 40 FDBB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc([N+](=O)[O-])c1 4940595 XSLINAUAPBLYPM-UHFFFAOYSA-N 361.335 1.378 5 40 FDBB CNC(=O)c1ccc(CN(C)C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 10859491 HMRCUAVJDVWIJM-UHFFFAOYSA-N 359.386 1.426 5 40 FDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCN(Cc2ccccc2)C1 12981343 WFYMTHJNXFAPLC-HNNXBMFYSA-N 356.382 1.147 5 40 FDBB Nc1ncc([N+](=O)[O-])cc1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 96007128 TXHJGANKTRPUEI-UHFFFAOYSA-N 370.344 1.869 5 40 FDBB O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(N2CCCCC2=O)CC1 89780691 PEDHTICNOOJRHD-UHFFFAOYSA-N 361.398 1.977 5 40 FDBB CNC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC 13682139 FDHOQAIODWHKAA-UHFFFAOYSA-N 365.367 1.764 5 40 FDBB C[N+]1(CC2CC2)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@H]12 263606406 QVVOZYKELHAIPX-AAKQOKGDSA-N 358.458 1.843 5 40 FDBB in-man COc1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 32469543 CCJCNCDFJCKXSO-NSHDSACASA-N 356.400 1.793 5 40 FDBB O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 7365029 MNTHBOIJWVZLFG-UHFFFAOYSA-N 365.367 1.803 5 40 FDBB CC(C)COCCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 9337797 QMHJYRNAEWXJJH-UHFFFAOYSA-N 351.403 1.894 5 40 FDBB Cc1nn(CC(=O)N(C)C[C@@H]2COc3ccccc3O2)c(C)c1[N+](=O)[O-] 8132394 OCFHIGVVCKFPNC-CYBMUJFWSA-N 360.370 1.707 5 40 FDBB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 14225025 XFIGTAJIECANGN-UHFFFAOYSA-N 371.396 1.304 5 40 FDBB COCCCn1c(=N)c(C(=O)OC)cc2c(=O)n3cccc(C)c3nc21 100627960 SDMSOPGQEBHVIR-UHFFFAOYSA-N 356.382 1.260 5 40 FDBB COCCCn1c(O)nnc1Sc1ccc(C(=O)O)cc1[N+](=O)[O-] 24528765 KGRDYLVEQFXWLY-UHFFFAOYSA-N 354.344 1.778 5 40 FDBB CCOC(=O)C1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 8147402 LTNMSCCNUGLBDD-UHFFFAOYSA-N 356.400 1.778 5 40 FDBB CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(=O)NC(C)C 6507471 GHLPPAPEACSYNU-UHFFFAOYSA-N 352.391 1.388 5 40 FDBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)NC[C@@H]2CCCO2)CC1=O 408640235 ICXMFJVFFJQFID-YPMHNXCESA-N 363.370 1.252 5 40 FDBB CCCCNC(=O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 36395371 HFDARHRXIYWCEC-UHFFFAOYSA-N 364.446 1.508 5 40 FDBB CCOc1c(O)ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1[N+](=O)[O-] 33662193 BSFZNOGUCRIVKA-HWKANZROSA-N 364.270 1.567 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1nc2nc(C)cc(C)n2n1 40130828 JGADWMBJWQAJFC-UHFFFAOYSA-N 356.342 1.839 5 40 FDBB Cc1oc(-c2cccs2)nc1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 12911979 ZYRZMIGNYJSTSV-UHFFFAOYSA-N 360.351 1.929 5 40 FDBB CCc1cc(=O)nc(-n2nc(C)cc2NC(=O)c2cccc([N+](=O)[O-])c2)[nH]1 7419581 NMEOUUQXDWONTE-UHFFFAOYSA-N 368.353 1.987 5 40 FDBB C[C@@H]1CN(S(=O)(=O)CCNc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 40091239 WQUFMGQHTBRNBR-GHMZBOCLSA-N 361.395 1.585 5 40 FDBB C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2C(=O)NC[C@H]2C1 107072297 LGXPTVMXCXQGIZ-MFKMUULPSA-N 358.358 1.415 5 40 FDBB O=C(Nc1ccc(N2CCOCC2)nc1)c1cc2c(cc1[N+](=O)[O-])OCO2 27812082 WONPPECIPSLBND-UHFFFAOYSA-N 372.337 1.807 5 40 FDBB Cc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1[N+](=O)[O-] 95463052 DEABIMLATXAMFX-UHFFFAOYSA-N 351.388 1.238 5 40 FDBB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100519334 SNVLJRBUBUBHBJ-MTYIDNOTSA-N 370.321 1.883 5 40 FDBB CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2cccnc2[N+](=O)[O-])CC1 12606834 OCYVGWNLSWGMRQ-NSHDSACASA-N 351.359 1.559 5 40 FDBB C[C@]1(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CCS(=O)(=O)C1 84673532 CUHZDICGFSSKMX-KQIUPUNMSA-N 358.803 1.955 5 40 FDBB COc1ccc(C(=O)CN2C(=O)COc3ccccc3C2=O)cc1[N+](=O)[O-] 6661961 NMLMFPGRDMBSMU-UHFFFAOYSA-N 370.317 1.848 5 40 FDBB Nc1cc2c(cc1[N+](=O)[O-])OCCOCCOCCOCCOCCO2 5390748 HJQRYNRXCSAHLK-UHFFFAOYSA-N 372.374 1.015 5 40 FDBB CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC3(CC2)OCCO3)cc1OC 24997158 HBGVPMDDXUJLOQ-UHFFFAOYSA-N 366.370 1.981 5 40 FDBB O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)n1nnc2ccccc21 5694392 MFIVEDZZEHRKHS-UHFFFAOYSA-N 353.338 1.865 5 40 FDBB CN(C)c1ccc2nc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3nc2c1 13844658 GJVXFAGNGUFRTE-UHFFFAOYSA-N 361.405 1.942 5 40 FDBB Cc1c([N+](=O)[O-])cnn1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2732778 YVSYTZURTIQESG-UHFFFAOYSA-N 367.406 1.569 5 40 FDBB COc1ccc(C(=O)NCC(=O)NCc2ccccc2[N+](=O)[O-])cc1OC 53867245 KSGXCKCGVLIZAO-UHFFFAOYSA-N 373.365 1.658 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 8380246 ZVAHCNKTSMLXJT-UHFFFAOYSA-N 353.400 1.146 5 40 FDBB O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2[nH]ccc2c1 92518754 PGQUMXAYGPYUMW-IRXDYDNUSA-N 355.350 1.900 5 40 FDBB CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O 9087187 AFJFSADHJJZPFO-RDTXWAMCSA-N 372.381 1.595 5 40 FDBB CN(C)C(=O)C(C)(C)NS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1F 72307557 HJXUWBLPKNQWTM-UHFFFAOYSA-N 351.331 1.018 5 40 FDBB COCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O 409127371 PRAXFOGMGYJEIV-BJMVGYQFSA-N 369.311 1.891 5 40 FDBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(N)=O)CC1 6079167 SYUASIYKYCCSGO-SECBINFHSA-N 354.794 1.773 5 40 FDBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)NC[C@@H]2CCCO2)CC1=O 408640228 ICXMFJVFFJQFID-AAEUAGOBSA-N 363.370 1.252 5 40 FDBB Cc1c(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cccc1[N+](=O)[O-] 95406602 WKEBAZQDDJHSDK-DIFFPNOSSA-N 360.370 1.354 5 40 FDBB COc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225025692 XEIUUDKWMRRLOU-UHFFFAOYSA-N 366.351 1.883 5 40 FDBB CCCNC(=O)CN(CCC)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 54327928 WBNSIKINYXBIIE-UHFFFAOYSA-N 374.401 1.554 5 40 FDBB CNC(=O)c1ccc(N2CCN([C@@H]3CCSC3)CC2)c([N+](=O)[O-])c1 79076565 CKEBKVXBINGYIN-CYBMUJFWSA-N 350.444 1.582 5 40 FDBB O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1Nc1ccccc1 4822004 FXHJIMQXQWJNSM-UHFFFAOYSA-N 355.310 1.929 5 40 FDBB aggregator NS(=O)(=O)Cc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 58053667 MBCNYVBJOCMDSP-UHFFFAOYSA-N 365.367 1.401 5 40 FDBB CN(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 95377590 MRYNLXBGQSALQE-CQSZACIVSA-N 370.431 1.177 5 40 FDBB O=C(CN1CCCN(c2nc3ccccn3c2[N+](=O)[O-])CC1)N1CCCC1 28068666 DLVFHDICCJVRMO-UHFFFAOYSA-N 372.429 1.377 5 40 FDBB NS(=O)(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 5858960 XQLSSPACIQRDAL-UHFFFAOYSA-N 367.408 1.973 5 40 FDBB Cc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1S(N)(=O)=O 25276787 OUFLMIXFFNUKLY-UHFFFAOYSA-N 350.352 1.908 5 40 FDBB COc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 103573434 YMLWYIJFKFJQDM-GDBMZVCRSA-N 367.317 1.896 5 40 FDBB CC(=O)Nc1ccc2nc3c(=O)n(Cc4ccccc4)c(=O)[nH]c3nc2c1 13550967 AQBUAYBERWHDGA-UHFFFAOYSA-N 361.361 1.640 5 40 FDBB CCCn1nnnc1NC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 17074383 SDRXXHZWMVYHGD-VOTSOKGWSA-N 361.387 1.518 5 40 FDBB CN(Cc1cccs1)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 7706709 OJHOSQWJXZVJHU-UHFFFAOYSA-N 359.363 1.911 5 40 FDBB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1cccc([N+](=O)[O-])c1 2646349 OCYRBMDTGQEGSW-GFCCVEGCSA-N 364.383 1.254 5 40 FDBB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 3437263 FOBPJTKLDLJBQM-UHFFFAOYSA-N 350.306 1.537 5 40 FDBB O=C(Nc1nnc(CCN2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1 95116120 CUTIRNSRUXUTOL-UHFFFAOYSA-N 363.399 1.573 5 40 FDBB C[N@+]12CCCC[C@H]1[C@@H](COC(=O)CCN1C(=O)CCCC1=O)CCC2 585162701 MXTICUPLUWLWFN-VWKPWSFCSA-N 351.467 1.868 5 40 FDBB CN1CCN(c2cc3c(cc2[N+](=O)[O-])c2n[nH]c(=O)c-2cn3C2CC2)CC1 100032678 SVFHQNLPLQHBBS-UHFFFAOYSA-N 368.397 1.824 5 40 FDBB CCOC(=O)N1CCN(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 13056382 OCLAWPCATMDMRV-UHFFFAOYSA-N 350.375 1.616 5 40 FDBB O=[N+]([O-])c1c(NC[C@H]([C@H]2CCOC2)N2CCOCC2)nc2ccccn12 25062520 NOTKQEZVPQYQNB-UONOGXRCSA-N 361.402 1.392 5 40 FDBB CSCC[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 41155324 YITUXOYQSKMYPA-GFCCVEGCSA-N 369.399 1.037 5 40 FDBB CSc1nnc(C)c(=O)n1COC(=O)c1cccc([N+](=O)[O-])c1C 4495795 JDEOMLAYDGQOCN-UHFFFAOYSA-N 350.356 1.700 5 40 FDBB O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(c3nccs3)CC2)c1 24242902 XXDUNVOFRHZYKZ-AWEZNQCLSA-N 364.427 1.613 5 40 FDBB O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(COCC(F)(F)F)cc1 48245939 DBEWQAVASSQLTM-UHFFFAOYSA-N 373.291 1.582 5 40 FDBB O=C(OCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])s1 84445192 NZZYOZPSYIQIMB-QWRGUYRKSA-N 354.384 1.983 5 40 FDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CN3CCC2CC3)c1C 601447849 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FRRWUFVPHXLPKE-WFRNDULYSA-N 354.511 1.826 5 40 FDBB C[C@@H](Sc1nncn1C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 56177249 SIMOLJQCBHUWLU-SNVBAGLBSA-N 350.404 1.432 5 40 FDBB CN1CCN(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)CC1 4863613 SQXXLEIYLROBQQ-UHFFFAOYSA-N 361.446 1.867 5 40 FDBB CCOC(=O)C1=C(COC(=O)c2ccc([N+](=O)[O-])s2)NC(=O)N[C@@H]1C 16044754 JRVPWUOQZCWYBF-SSDOTTSWSA-N 369.355 1.332 5 40 FDBB COc1ccc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1F 32819306 ZXENUEZYMDRYMQ-NVXWUHKLSA-N 350.346 1.927 5 40 FDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)C 46034980 JYIFJIZQCCSTPM-GFCCVEGCSA-N 357.432 1.684 5 40 FDBB O=[N+]([O-])c1ccc(CN(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575419907 ALWVNLKXLYKEOR-DLBZAZTESA-N 362.407 1.759 5 40 FDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C(=O)C(C)C)CC2)c1C 14020899 FVZJTQASEZHQAV-UHFFFAOYSA-N 369.443 1.701 5 40 FDBB CC(C)(C)OC(=O)[C@H]1CNCCN1c1ccc(C(=O)O)cc1[N+](=O)[O-] 95935485 JWOGAFLLVAZSCJ-CYBMUJFWSA-N 351.359 1.413 5 40 FDBB CN1C(=O)c2ccc(NC(=O)c3c(C(=O)O)cccc3[N+](=O)[O-])cc2C1=O 793235 ZMIMFVVPNIVJHW-UHFFFAOYSA-N 369.289 1.771 5 40 FDBB N[C@@H](Cc1ccc(OCc2cc3c(cc2[N+](=O)[O-])OCO3)cc1)C(=O)O 2362804633 CQDZRRBXDOBUFV-ZDUSSCGKSA-N 360.322 1.857 5 40 FDBB O=C(COC(=O)c1ccc[n+]([O-])c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 5869819 TYHDNYPJPMSKAN-UHFFFAOYSA-N 351.702 1.677 5 40 FDBB C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(NC[C@@H]3CCCO3)n2)C[C@H](C)O1 5025643 CTUJBHUZLYGBHD-DCAQKATOSA-N 352.395 1.172 5 40 FDBB CNS(=O)(=O)c1ccc(NC[C@@H](CO)Cc2ccco2)c([N+](=O)[O-])c1 12753915 HYEODUZAFJXZFV-NSHDSACASA-N 369.399 1.359 5 40 FDBB NC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 3371095 ISDOUYYJYZAECZ-JXMROGBWSA-N 369.333 1.889 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 104476636 FBBKEDDXBFTNIH-GREKMHCPSA-N 355.350 1.649 5 40 FDBB NC(=O)[C@@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCO1 50956272 ORJHKHZXYFGSJR-JTQLQIEISA-N 353.684 1.958 5 40 FDBB COc1cc(C(=O)OCC(=O)NC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC 3450054 QPVCHEBFGPIUFX-SNVBAGLBSA-N 368.342 1.064 5 40 FDBB CC=C1C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@+]3([O-])CC[C@@H](OC1=O)[C@H]23 2356096487 PLGBHVNNYDZWGZ-BMTPPDAQSA-N 351.399 1.205 5 40 FDBB CCS(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 45438577 GXARKCAYFTZDCE-UHFFFAOYSA-N 371.415 1.604 5 40 FDBB CC[C@H](COB(OC[C@@H](CC)[N+](=O)[O-])OC[C@@H](CC)[N+](=O)[O-])[N+](=O)[O-] 195751760 FJUSRQXNIROVNL-IJLUTSLNSA-N 365.148 1.187 5 40 FDBB CCCn1nnnc1NC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 17075816 WELWXADBYMIKCF-UHFFFAOYSA-N 369.794 1.772 5 40 FDBB Cc1nonc1OCCNCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 45206856 FSDFJTWHKHACGG-UHFFFAOYSA-N 352.307 1.275 5 40 FDBB CCc1cc2c(=O)n(NC(=O)Cn3cc([N+](=O)[O-])cn3)c(C)nc2s1 2735475 UQDZQINPBDTXJT-UHFFFAOYSA-N 362.371 1.204 5 40 FDBB COc1ccc(CNC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 96012724 HMRZWSBWHYFPDJ-UHFFFAOYSA-N 360.322 1.782 5 40 FDBB Cc1noc(C)c1CN1CCN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)CC1 29585886 YAEPKSHSHNBDTB-UHFFFAOYSA-N 373.417 1.886 5 40 FDBB Cc1c(C(=O)Nc2cccc3c2C(=O)NC3=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 3306888 LKMWNOCTMRTJDW-UHFFFAOYSA-N 370.277 1.947 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 18244164 LLTSLMNGOZCWGI-STQMWFEESA-N 373.365 1.883 5 40 FDBB CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4270534 GZHGCKQPKUWXHH-UHFFFAOYSA-N 356.381 1.799 5 40 FDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 102082734 QKOGNDPRIJAJBD-CDSWZMAWSA-N 367.361 1.586 5 40 FDBB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1[N+](=O)[O-] 3454499 IEYFXQBLDMRMBU-UHFFFAOYSA-N 362.342 1.289 5 40 FDBB Cn1nnnc1Sc1ccc(C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 9316367 NEZXIPKAWOFFHY-JTQLQIEISA-N 364.387 1.178 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 7986823 CRAQNNCUJWGDIN-UHFFFAOYSA-N 362.342 1.407 5 40 FDBB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 250925212 URGBYVKWILQSGE-DPDCMNJDSA-N 355.350 1.649 5 40 FDBB Cc1nc(SCc2ccc([N+](=O)[O-])cc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138834 JVEHYSDFAUEQCU-UHFFFAOYSA-N 373.394 1.536 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 1738316 QGJDJPPGIXSKQB-UHFFFAOYSA-N 366.355 1.895 5 40 FDBB CCOc1cc(C(=O)NCc2nnc3n2CCC3)c([N+](=O)[O-])cc1OC 12777994 PWCITDSWZIQWFL-UHFFFAOYSA-N 361.358 1.470 5 40 FDBB O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCCn2ncnc21 48366780 TYLWSLRSDNEBQP-UHFFFAOYSA-N 352.148 1.999 5 40 FDBB O=C([C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 12903235 NEMDWGZNOMKNOJ-OAHLLOKOSA-N 367.427 1.760 5 40 FDBB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])cc1 4747717 LMZQKIHECLYAFK-CQSZACIVSA-N 362.367 1.626 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 30851714 BHVINTVACYXJRJ-GFCCVEGCSA-N 370.431 1.360 5 40 FDBB Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n(-c2nc(=O)cc(C)[nH]2)n1 15881332 UWYHGJZSNQELBY-UHFFFAOYSA-N 354.326 1.733 5 40 FDBB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 9570885 ZBEAGVNGUDPVBZ-UHFFFAOYSA-N 360.280 1.779 5 40 FDBB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Nc1ccccc1[N+](=O)[O-] 40151594 KPNPAYMEISALEX-GFCCVEGCSA-N 370.431 1.921 5 40 FDBB COc1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 32469547 CCJCNCDFJCKXSO-LLVKDONJSA-N 356.400 1.793 5 40 FDBB Cc1nn2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1-c1ccccc1 22607124 WGUCUVLYJUSEQY-LFIBNONCSA-N 374.356 1.814 5 40 FDBB CCCC(=O)NC1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 48326110 AUBVLTGRINIDDJ-UHFFFAOYSA-N 370.431 1.127 5 40 FDBB CS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 13630037 AUBYOKCYVRXCBS-UHFFFAOYSA-N 362.776 1.756 5 40 FDBB O=C1CN(C(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)CCN1 8992654 QQJOAXNOTYHQLN-UHFFFAOYSA-N 352.346 1.283 5 40 FDBB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C2 89688877 NZWJITODDYNKOY-GFCCVEGCSA-N 350.400 1.701 5 40 FDBB CCOC(=O)c1c(SC)nn(C(=O)c2cccc([N+](=O)[O-])c2)c1N 3851884 KOTCHZDCNYFXCJ-UHFFFAOYSA-N 350.356 1.961 5 40 FDBB biogenic Cc1[nH]nc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c1[N+](=O)[O-] 78752459 JGCMJVHMXWSUJN-NSHDSACASA-N 355.358 1.689 5 40 FDBB Cc1ccc(C(=O)N2[C@@H](C(=O)O)COC23CCN(C)CC3)cc1[N+](=O)[O-] 71980042 LPFXNSJHOGZQDF-CQSZACIVSA-N 363.370 1.251 5 40 FDBB O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 1889083346 JFMHGCKHRXNRDV-KBPBESRZSA-N 356.294 1.531 5 40 FDBB CN(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 7706708 QOXMZBHQIWZIOW-UHFFFAOYSA-N 371.324 1.989 5 40 FDBB O=C(NC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc([N+](=O)[O-])cc1 2271681 PWMIJOSRMWBQGF-UHFFFAOYSA-N 372.337 1.496 5 40 FDBB O=C(N1CCOCC1)C12C[C@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 102845320 ROUPIEXNLDISCO-QJRTVWDNSA-N 361.402 1.341 5 40 FDBB O=C(CN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])o2)C1=O)Nc1ccccc1F 409199293 BVVOWAYAUKTEJZ-KPKJPENVSA-N 374.284 1.858 5 40 FDBB O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc([N+](=O)[O-])cc1 5351720 CIABFLCPZCUYCV-AWEZNQCLSA-N 363.370 1.725 5 40 FDBB COc1ccccc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 4563995 SZFZMOSPSDGIOG-UHFFFAOYSA-N 354.322 1.952 5 40 FDBB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@H]1c1cccc([N+](=O)[O-])c1 4707955 LAMMFWLZTFHQMV-CQSZACIVSA-N 362.367 1.626 5 40 FDBB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12 408975807 NUQDFFBFRIQUAQ-MPTQWLOMSA-N 364.741 1.444 5 40 FDBB CCOC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 96005686 DCYFHQIMEIGSCZ-UHFFFAOYSA-N 354.344 1.604 5 40 FDBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 58426306 OOQQZEPIHPPALW-ZIAGYGMSSA-N 360.366 1.544 5 40 FDBB CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 7688402 VEIIBLNNAMHANX-SECBINFHSA-N 363.823 1.750 5 40 FDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccnc1Cl 7706572 RDKGCFOGKGAVMH-UHFFFAOYSA-N 360.713 1.878 5 40 FDBB Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] 95457687 RRFAVPDHEYRBKZ-SWLSCSKDSA-N 356.400 1.520 5 40 FDBB CCN1CCN(c2nc(N3C[C@@H](C)C[C@H](C)C3)nc(N)c2[N+](=O)[O-])CC1 5048583 PYDKFBAWCRJPAD-STQMWFEESA-N 363.466 1.591 5 40 FDBB CC1([N+](=O)[O-])COC2(OC1)C(C)(C)C1(OCC(C)([N+](=O)[O-])CO1)C2(C)C 1690684 RGTUBHBVOYQXBC-UHFFFAOYSA-N 374.390 1.609 5 40 FDBB C/C=C1\C[N+]2(C)[C@H]3C[C@@]45c6ccccc6N[C@@H]4[C@H]2C[C@@H]1[C@@]3(C(=O)OC)[C@H]5O 100745239 CZPDTQCCDJQAJE-OJFIGMPFSA-N 367.469 1.820 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 104476628 FBBKEDDXBFTNIH-KUDNYVPYSA-N 355.350 1.649 5 40 FDBB CC(C)OC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12723682 SXMFWGIMSSHCNP-UHFFFAOYSA-N 352.343 1.540 5 40 FDBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ncccn2n1 9447621 CHYHNIDEXWPFNK-UHFFFAOYSA-N 360.355 1.772 5 40 FDBB Cc1cc(N)n(-c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])n1 5602004 PSNXKGWYODJQCA-UHFFFAOYSA-N 351.388 1.456 5 40 FDBB Nc1nc(Cn2cc([N+](=O)[O-])ccc2=O)nc(Nc2ccc(Cl)cc2)n1 12984387 GTNIBTCCDLSNDX-UHFFFAOYSA-N 373.760 1.969 5 40 FDBB CC(C)CNC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 5436769 CXIKIHXFHCSVFZ-UHFFFAOYSA-N 366.374 1.299 5 40 FDBB C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@@H]2C1 4623725 ZXGOGWPONWULQX-MWJQBAMBSA-N 372.381 1.450 5 40 FDBB C[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6176076 JKEWXFZKPSFZOD-SSDOTTSWSA-N 368.733 1.384 5 40 FDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1cccs1 225136073 XHRNNXUDGXTOTC-UHFFFAOYSA-N 372.380 1.945 5 40 FDBB CN(C)CCCn1ccc2nc3ccn(-c4ccn[nH]4)c(=O)c3cc2c1=O 40399057 ZNYOXAVIHDQCSU-UHFFFAOYSA-N 364.409 1.375 5 40 FDBB O=C1NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@H]2[C@H]1[C@@H]1C=C[C@H]2C12CC2 169616553 VXATYHIRCKFCEU-GZZJDILISA-N 370.321 1.709 5 40 FDBB Cn1c(=O)c2nc(SCc3cccc([N+](=O)[O-])c3)n(C)c2n(C)c1=O 4571045 XAZUXGBEJRBTEG-UHFFFAOYSA-N 361.383 1.171 5 40 FDBB COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC 12949716 IPYODELJUMOZFJ-VXGBXAGGSA-N 368.386 1.878 5 40 FDBB CCn1ncc(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1C(N)=O 17074866 QRZDITXNKTTWGO-UHFFFAOYSA-N 364.387 1.728 5 40 FDBB CN1C[C@H](c2ccc3c(c2)OCO3)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408563512 AQKQWCAHEKQSQO-LWLIDHTLSA-N 367.361 1.937 5 40 FDBB CN(C)CC(C)(C)CNC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1 40158221 FXVSXQNSKPNKQO-UHFFFAOYSA-N 363.462 1.910 5 40 FDBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nn1cnnc1S 24494391 UYNNYGHTXQNKAB-UHFFFAOYSA-N 351.391 1.805 5 40 FDBB Cc1cccc(OC[C@H](O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 7205183 SGYMCSLNOWSVKP-GFCCVEGCSA-N 356.334 1.939 5 40 FDBB O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 100171975 CXWYULPZGNRRIJ-FIQHERPVSA-N 365.139 1.800 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@@H](N2CCCC[C@@H]2CCO)C1=O 8570052 MNIUEVQXDXPSJX-CZUORRHYSA-N 361.398 1.772 5 40 FDBB CCOC(=O)C1=C(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)NC(=O)NC1 12929793 FUMDGSUGTYJWRY-UHFFFAOYSA-N 363.326 1.190 5 40 FDBB O=C(NN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccc([N+](=O)[O-])c1 408688966 XHLZFESFNZVXNQ-UHFFFAOYSA-N 356.250 1.444 5 40 FDBB CN(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 95377591 MRYNLXBGQSALQE-AWEZNQCLSA-N 370.431 1.177 5 40 FDBB COCCn1c(=N)c(C(=O)NC(C)C)cc2c(=O)n3cccc(C)c3nc21 101148232 ANKWKLLNSVSRDE-UHFFFAOYSA-N 369.425 1.222 5 40 FDBB O=C(NOCc1cccnc1)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 95431424 LIKLYLWOBKPAEW-UHFFFAOYSA-N 358.354 1.688 5 40 FDBB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc([N+](=O)[O-])cc1 71980129 HGDYQELKCICACS-AWEZNQCLSA-N 363.370 1.332 5 40 FDBB Cc1cc(N(C)C)cc(C)c1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600667968 JSBRLOTXSWGFDC-UHFFFAOYSA-N 353.404 1.812 5 40 FDBB Cc1c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] 25194512 JUKDGIRGVKPIMM-UHFFFAOYSA-N 360.414 1.283 5 40 FDBB Cc1ccc(CNC(=O)COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 2662241 NKGLOIJKAQUZPF-UHFFFAOYSA-N 360.370 1.576 5 40 FDBB C[C@H]1CCCN(c2nc(N3C[C@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])C1 5158435 BEBGCPKCPRJWBH-SDDRHHMPSA-N 350.423 1.817 5 40 FDBB C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCCCCC3)n2)C[C@@H](C)O1 5249705 PKEVPEIEKQYAHK-VXGBXAGGSA-N 350.423 1.961 5 40 FDBB O=C(NCc1ccccc1)c1nnc(Cn2cc([N+](=O)[O-])ccc2=O)s1 45705420 VHRDWRKPIUSNHG-UHFFFAOYSA-N 371.378 1.586 5 40 FDBB NC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1S(=O)(=O)Cc1ccccc1 3669524 DHTVLUVDOZXYQC-UHFFFAOYSA-N 365.323 1.576 5 40 FDBB CCOC(=O)CCCNC(=O)COC(=O)c1c(C)cccc1[N+](=O)[O-] 9502037 YMTMNZIGZYGABO-UHFFFAOYSA-N 352.343 1.520 5 40 FDBB COC(=O)/C=C1\SN(C(=O)c2ccc([N+](=O)[O-])cc2)N=C1C(=O)OC 16189574 URQHHFZNEQLRRA-YFHOEESVSA-N 365.323 1.285 5 40 FDBB Cc1ccc(NC(=O)CN(C)C(=O)COc2cccnc2[N+](=O)[O-])cc1 5970838 KFZVQYGXECMVRT-UHFFFAOYSA-N 358.354 1.774 5 40 FDBB Cc1c(C(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)cccc1[N+](=O)[O-] 48260660 NYUWQLVKBBRYDF-UHFFFAOYSA-N 371.397 1.671 5 40 FDBB Cc1nn(C)c(N2CCN(Cc3cn4ccccc4n3)CC2)c1[N+](=O)[O-] 32934505 YPAWTPVYDOMZLV-UHFFFAOYSA-N 355.402 1.607 5 40 FDBB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 6430599 YDRMVDUGJGZYMJ-UHFFFAOYSA-N 371.415 1.284 5 40 FDBB COc1ccc(CNC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1OC 2655455 QPBPTIHESJMMDI-UHFFFAOYSA-N 364.310 1.678 5 40 FDBB COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)c([N+](=O)[O-])cc1OC 3370909 DWPQKDALAVPPCY-UHFFFAOYSA-N 365.298 1.704 5 40 FDBB COC(=O)N1CCc2nn(Cc3cccc([N+](=O)[O-])c3C)c(=O)cc2C1 84041631 IDLDUKBSIPGGMG-UHFFFAOYSA-N 358.354 1.633 5 40 FDBB Brc1cc2c(cc1C[N+]13CN4CN(CN(C4)C1)C3)OCO2 40545773 MMNHATZUQAQLFH-UHFFFAOYSA-N 354.228 1.186 5 40 FDBB O=[N+]([O-])c1cnc(N2CCN(c3ccc(O)cc3)CC2)nc1NC1CC1 37171484 SZSULUCYTXACPG-UHFFFAOYSA-N 356.386 1.991 5 40 FDBB NC(=O)c1cccc(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])c1 58244763 RZLXIJHEKNAASW-UHFFFAOYSA-N 356.382 1.855 5 40 FDBB Cn1c(=O)nc(O)c2c1nc([N+](=O)[O-])n2Cc1ccc2ccccc2c1 1652272462 SAHXMJBFUAOMTK-UHFFFAOYSA-N 351.322 1.945 5 40 FDBB CCn1nc(C)cc1C(=O)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 102123020 OURNRIDJTDWCAT-UHFFFAOYSA-N 356.335 1.377 5 40 FDBB O=C1C[C@H]2C(=O)C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 100810660 LGHKROZCWUTKDD-NVIQENEESA-N 362.725 1.532 5 40 FDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1C1OCCO1 60348888 SEHUBKOOPRMHON-CYBMUJFWSA-N 356.400 1.819 5 40 FDBB COC(=O)CCN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C 95992833 DMPILVPCXOSDRE-LLVKDONJSA-N 369.805 1.958 5 40 FDBB CNS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 15270701 IVNOEPDXDPNHPW-UHFFFAOYSA-N 365.367 1.764 5 40 FDBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCO2 17304727 ABYBJZBSGHXCBC-UHFFFAOYSA-N 357.322 1.735 5 40 FDBB CC[C@](C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCOCC1 40152817 KQDAPJNJECEBRA-MRXNPFEDSA-N 354.382 1.547 5 40 FDBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCn1nnc2ccccc2c1=O 2657559 UARHGHXMRMOXDB-JXMROGBWSA-N 352.306 1.914 5 40 FDBB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 137605323 RVRXKNMUJNHZMO-RMHZUWNSSA-N 371.393 1.766 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@@H](N2CCCC[C@H]2CCO)C1=O 251154662 MNIUEVQXDXPSJX-XJKSGUPXSA-N 361.398 1.772 5 40 FDBB CCOC(=O)C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 20047857 ILAIRXBYXBXHMH-UHFFFAOYSA-N 356.400 1.700 5 40 FDBB CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)nc1 8710417 JUQXTCKGZQVLRK-UHFFFAOYSA-N 371.397 1.798 5 40 FDBB Cc1ccc(N2C(=O)C[C@@H](N3CCCC[C@H]3CCO)C2=O)cc1[N+](=O)[O-] 250927544 XGBDYBVRNXTPPD-XJKSGUPXSA-N 361.398 1.772 5 40 FDBB O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1[N+](=O)[O-] 13388963 KJANAUVGXIYYET-UHFFFAOYSA-N 369.297 1.795 5 40 FDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 10327897 BFNOHHDSLXDFCG-UHFFFAOYSA-N 357.322 1.887 5 40 FDBB NC(=O)[C@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCO1 50956274 ORJHKHZXYFGSJR-SNVBAGLBSA-N 353.684 1.958 5 40 FDBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N1CCCC1)n1ccccc1=O 4680552 LNMSPGOTBUDCGQ-INIZCTEOSA-N 355.350 1.803 5 40 FDBB CNS(=O)(=O)c1ccc(Sc2nnc3ccccn23)c([N+](=O)[O-])c1 9643514 DOGWFBKTXFMYIY-UHFFFAOYSA-N 365.396 1.697 5 40 FDBB Cn1cc(S(=O)(=O)N2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])n1 84314126 PYVYQTRHJHRAID-GFCCVEGCSA-N 351.388 1.203 5 40 FDBB COC(=O)[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCSC1 95982820 JTUABCMCMYOQGZ-AWEZNQCLSA-N 373.818 1.825 5 40 FDBB Cc1ccoc1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 9933090 HREAVBUQFHIFLS-UHFFFAOYSA-N 367.383 1.742 5 40 FDBB CCOC(=O)C1=C(COc2ccc([N+](=O)[O-])cc2Cl)NC(=O)NC1 24227766 MTYHNQJVJAWEJT-UHFFFAOYSA-N 355.734 1.757 5 40 FDBB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCc1ccccc1[N+](=O)[O-] 103395636 QMNJPUFJNLMXEU-GREKMHCPSA-N 355.350 1.018 5 40 FDBB CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@@H](CN(C)c2cccnn2)C1 619486017 FCLBFBNYSPKQCA-ZDUSSCGKSA-N 361.406 1.251 5 40 FDBB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)c([N+](=O)[O-])c1 10331154 QPYJYAUUZCTQDV-AWEZNQCLSA-N 360.370 1.854 5 40 FDBB NS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H]2COc3ccccc3C2)s1 78809062 OSBDGVDVHTYCJX-VIFPVBQESA-N 369.424 1.967 5 40 FDBB O=C(O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 1995681 DPWOSPPSFSUKHY-ZDUSSCGKSA-N 356.290 1.592 5 40 FDBB in-vitro CN(Cc1ccccc1)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 3268899 LBWJQBABGKRHDH-UHFFFAOYSA-N 353.334 1.849 5 40 FDBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N=c1[nH]c2ccccc2[nH]1 9338080 AQBRGXIFWGRAFP-UHFFFAOYSA-N 367.321 1.257 5 40 FDBB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286225 DMPOEUFOJXZZCB-MRXNPFEDSA-N 374.397 1.862 5 40 FDBB O=C1C[C@@H]2OC=C3CN4CC[C@]56c7cc([N+](=O)[O-])ccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]46 101958336 SWMNDZUNHXZQLU-RBKWHKFKSA-N 365.389 1.958 5 40 FDBB COc1ccccc1C(=O)NC(=O)COC(=O)Cc1ccccc1[N+](=O)[O-] 7985669 KMEUHFPILQSIJK-UHFFFAOYSA-N 372.333 1.646 5 40 FDBB O=[N+]([O-])c1ccc(NCCCN2CCOCC2)cc1N1CCOCC1 22388143 ZRVDQBDOPHVQJA-UHFFFAOYSA-N 350.419 1.566 5 40 FDBB C[C@H]1COCCN1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 95948173 VAMSYQRFGIIYLY-JTQLQIEISA-N 363.823 1.247 5 40 FDBB CC(C)(C)OC(=O)N1CCN(C(=N)Nc2ccc([N+](=O)[O-])cn2)CC1 225239891 DTDLXLVVNIHXHD-UHFFFAOYSA-N 350.379 1.889 5 40 FDBB COCCN1CC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 58172641 VSGGNCXHBVRAMS-GFCCVEGCSA-N 357.432 1.379 5 40 FDBB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)N(C)C(=O)N1C 9721276 BAARTLCCZHABHO-MRXNPFEDSA-N 374.397 1.766 5 40 FDBB COC(=O)c1cccc(-n2c3nc(=O)n(C)c(=O)c-3cc3ccccc32)c1 5748816 HBCZTVAXEZEEHS-UHFFFAOYSA-N 361.357 1.976 5 40 FDBB CNC(=O)c1cc(N2CCN(c3ccccc3O)CC2)ccc1[N+](=O)[O-] 58163109 YHSJLFKAXQSLGF-UHFFFAOYSA-N 356.382 1.987 5 40 FDBB CC(C)NC(=O)CN1CCCN(C(=O)Nc2ccccc2[N+](=O)[O-])CC1 28988797 OGEGLMOKJDADNQ-UHFFFAOYSA-N 363.418 1.659 5 40 FDBB Cc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1[N+](=O)[O-] 5587281 LMIJMOOVLDNTLB-UHFFFAOYSA-N 361.377 1.896 5 40 FDBB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 18707239 WLGVYUQOIJBWMW-UHFFFAOYSA-N 350.356 1.936 5 40 FDBB O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N1CCO[C@@H]2CCCC[C@@H]21 54917506 FQEICWGOUWAQGJ-WDEREUQCSA-N 373.207 1.724 5 40 FDBB Cc1[nH]nc(C(=O)OCC(=O)N2CCSc3ccccc32)c1[N+](=O)[O-] 96012739 UXJDPQHRFYAQQR-UHFFFAOYSA-N 362.367 1.922 5 40 FDBB C[C@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C[C@@H](C)O1 13097928 JEJNDPISSYOIRT-BETUJISGSA-N 369.443 1.993 5 40 FDBB NC(=O)NC(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 5704358 TXRVVPICTHHLPZ-UHFFFAOYSA-N 372.337 1.559 5 40 FDBB Cn1c(=O)c2c(nc([N+](=O)[O-])n2Cc2c(F)cccc2Cl)n(C)c1=O 4911573 TYUQITJLRHOUFV-UHFFFAOYSA-N 367.724 1.183 5 40 FDBB COc1cc(C(=O)OCC(=O)NC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC 3450057 QPVCHEBFGPIUFX-JTQLQIEISA-N 368.342 1.064 5 40 FDBB CCOc1ccc(Nc2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])cc1 4306131 ZXVCZWFMHYXEHI-UHFFFAOYSA-N 360.374 1.946 5 40 FDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C2OCCO2)CC1 69260984 HCTQWAJWRRUHNJ-UHFFFAOYSA-N 356.400 1.677 5 40 FDBB CCOC(=O)[C@@](O)(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F 5598324 DPFBHYGWXUEDPC-LBPRGKRZSA-N 350.249 1.780 5 40 FDBB