smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(NC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)c([N+](=O)[O-])c1 13150028 IXHUUVYQKPHXNJ-UHFFFAOYSA-N 412.358 1.564 5 40 HDBB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)c([N+](=O)[O-])c1 23393015 RNUCMVSKTJMLBC-UHFFFAOYSA-N 409.376 1.219 5 40 HDBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCCCCn3cccn3)CC2)c1 58305057 SAAGBMCHHRTGER-UHFFFAOYSA-N 407.496 1.968 5 40 HDBB COCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(C)cc2)c1=N 100631385 QAMPKEQOMQRFLM-UHFFFAOYSA-N 417.469 1.862 5 40 HDBB NC(=O)c1cc2c(nc1O)CCC[C@@H]2NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 521568871 SGCZWCVVDHUZFH-HNNXBMFYSA-N 409.402 1.943 5 40 HDBB CC(=O)O[C@H]1CO[C@@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 6073954 VCVRZLCSAQZAAQ-WJFTUGDTSA-N 420.374 1.873 5 40 HDBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 9961312 HRSKXKNJQKPSMU-UHFFFAOYSA-N 400.351 1.453 5 40 HDBB CN1CCN(n2c3c(c(SCc4cccc([N+](=O)[O-])c4)nc2=O)CCC3)CC1 10255133 ZRUUPPFXRKNKCX-UHFFFAOYSA-N 401.492 1.816 5 40 HDBB O=C(NCCc1cccs1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12994291 WQWWRVITZGFAGF-UHFFFAOYSA-N 424.504 1.915 5 40 HDBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3373445 LMWIKTKYNGEEOF-VOTSOKGWSA-N 413.386 1.729 5 40 HDBB CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1 55246750 JITQOXBPJHLUPR-FOIQADDNSA-N 415.450 1.135 5 40 HDBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 247319809 LGKILSCEMDIKSY-XDNAFOTISA-N 404.382 1.706 5 40 HDBB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 10380869 IMMYXWBLFHXBLM-UHFFFAOYSA-N 411.397 1.736 5 40 HDBB COc1cc(CCNS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1OC 12934901 AHBNOOQTOICYGI-TXEJJXNPSA-N 403.457 1.098 5 40 HDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N/C(=O)c1ccncc1 101228840 SYXPGVQDRZPFLP-HKOYGPOVSA-N 403.398 1.499 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O 220392200 BXRAHLQKSGAVSO-GFCCVEGCSA-N 420.447 1.795 5 40 HDBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N[C@@H]1CCS(=O)(=O)C1 9647926 DJUZRROCAYWQHK-GFCCVEGCSA-N 408.388 1.315 5 40 HDBB Cc1c(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cccc1[N+](=O)[O-] 224196152 CHANUSGWOFXVHQ-UHFFFAOYSA-N 407.448 1.962 5 40 HDBB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3298996 ULWPKNYLYRLMPX-HOTGVXAUSA-N 416.386 1.846 5 40 HDBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)C(N)=O)cc2)cc1[N+](=O)[O-] 10099674 XGHUGUNYJKDVDN-LLVKDONJSA-N 406.420 1.308 5 40 HDBB CNC(=O)c1ccc(N(C)C[C@H](O)COCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 57994876 ZHMNRLLRDNTUMW-HNNXBMFYSA-N 417.418 1.697 5 40 HDBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1cccs1 408638506 RHFWCUBUQUFQRF-NSHDSACASA-N 417.399 1.576 5 40 HDBB O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](c4ccccc4)C[C@@H]32)C(=O)N1 9011785 IPYSYVUCZZMGFX-RHSMWYFYSA-N 406.398 1.866 5 40 HDBB Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cccc1[N+](=O)[O-] 40106949 JFVVNOCBPTZFKY-UHFFFAOYSA-N 418.431 1.276 5 40 HDBB Cc1cc([N+](=O)[O-])nn1CCNC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C 2791992 LUNCKLAQBJDESQ-UHFFFAOYSA-N 416.192 1.092 5 40 HDBB COCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccco5)c(=O)c4cc3c2=O)n1 40399003 KHMGNWCQYACQKQ-UHFFFAOYSA-N 404.386 1.606 5 40 HDBB COc1ccc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1[N+](=O)[O-] 59419191 SKQNWRZURVMKJU-UHFFFAOYSA-N 424.457 1.951 5 40 HDBB CCOC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 5952771 ONOCLMMMYKKURJ-RDJZCZTQSA-N 408.370 1.892 5 40 HDBB COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224747662 VFPNZILAIQHUNO-UHFFFAOYSA-N 410.404 1.980 5 40 HDBB Cn1cc(C(=O)NC2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)cn1 44811303 MJVIHIGWARFMNF-UHFFFAOYSA-N 400.439 1.551 5 40 HDBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)C2CCCCC2)cc1[N+](=O)[O-] 3358571 LEYNGEDUUFUPRM-UHFFFAOYSA-N 412.420 1.378 5 40 HDBB Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)c3ccc([N+](=O)[O-])o3)c2=O)cc1 9016367 ZNRXFJFOSUUEMY-UHFFFAOYSA-N 422.401 1.881 5 40 HDBB O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccccc1 9123241 OGNGFNUEJLXBRZ-DYESRHJHSA-N 422.397 1.626 5 40 HDBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 104497028 HQTBMWNSTCRTFD-RDJZCZTQSA-N 423.341 1.826 5 40 HDBB COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 12523593 CCUWPEFIHQNVJO-UHFFFAOYSA-N 405.432 1.892 5 40 HDBB Cn1ncc2c(N3CCN(C(=O)CSc4ccc([N+](=O)[O-])cc4)CC3)ncnc21 32904619 IUFGWSFLTLRCAN-UHFFFAOYSA-N 413.463 1.712 5 40 HDBB CCCCNC(=O)CN1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 33220179 UAZYGGYDJNDHQU-UHFFFAOYSA-N 414.466 1.455 5 40 HDBB O=C(NCCc1ccccn1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12536833 UHCOSKNDYOYASC-GOSISDBHSA-N 418.475 1.892 5 40 HDBB O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1 16044196 IRZYEYQDZKOFAG-UHFFFAOYSA-N 422.438 1.679 5 40 HDBB CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 40006187 QSHNLSVYRDZOCP-UHFFFAOYSA-N 404.448 1.783 5 40 HDBB NS(=O)(=O)c1cc(N2CCC(NC(=O)c3ccccc3)CC2)cc([N+](=O)[O-])c1 48340086 STMOXXBZVXETAW-UHFFFAOYSA-N 404.448 1.641 5 40 HDBB COc1nn(CCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1[N+](=O)[O-] 2809505 GEQYOXDUUMLZEY-UHFFFAOYSA-N 405.378 1.819 5 40 HDBB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 9508712 NGYXDAPCQGJVQF-UHFFFAOYSA-N 407.404 1.607 5 40 HDBB NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)COc2cc(Cl)ccc2Cl)c1=O 12766543 MQSREPWPXLQSEP-SNVBAGLBSA-N 402.190 1.602 5 40 HDBB NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc3nsnc23)c([N+](=O)[O-])c1 19079384 BDSYHIMXTNWRSF-UHFFFAOYSA-N 409.405 1.264 5 40 HDBB CCCS(=O)(=O)N1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 40094735 CHRUAXCPBNLHBA-UHFFFAOYSA-N 421.479 1.715 5 40 HDBB CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@H](C)[C@H]32)C1=O 102770890 UCPQMLNEVWWEOG-QXQQKJPISA-N 416.434 1.606 5 40 HDBB COCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCCOC)c1=N 100627993 JALCKZOMVAWPGT-UHFFFAOYSA-N 413.478 1.240 5 40 HDBB CN(C)C(=O)[C@H]1CCCN1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 58277577 FXMASFWBPOHBAL-CQSZACIVSA-N 418.903 1.469 5 40 HDBB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 408593942 QTXWGBBMCOLULX-UHFFFAOYSA-N 423.447 1.845 5 40 HDBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(CN3CCOCC3)nc21 20403595 YSWHSDFHVJDMRE-UHFFFAOYSA-N 406.442 1.722 5 40 HDBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 40072626 YPIZPXMLWGIGAI-UHFFFAOYSA-N 412.402 1.959 5 40 HDBB O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] 40144998 AEOFNPAAOJUJQJ-HUUCEWRRSA-N 419.415 1.862 5 40 HDBB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 96012271 CATGHZJYCATIPR-UHFFFAOYSA-N 400.391 1.823 5 40 HDBB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 84350417 LMXKAFKSFFQGQO-RYUDHWBXSA-N 407.354 1.391 5 40 HDBB O=C1NC[C@@]2(F)CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@]12F 306136303 PPJLBZUJPQBHAX-VXGBXAGGSA-N 415.296 1.164 5 40 HDBB CN(C)C(=O)CN[C@@H]1CCCC[C@]12CN(Cc1cc([N+](=O)[O-])ccc1F)CCO2 306136751 QCKNBZIHWFKDSI-QUCCMNQESA-N 408.474 1.925 5 40 HDBB O=[N+]([O-])c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2 4140950 YHELSHISKYMUTG-UHFFFAOYSA-N 401.412 1.449 5 40 HDBB O=C(OCc1nonc1COC(=O)c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1 8456476 RQTYGYWCJLMFHV-UHFFFAOYSA-N 408.235 1.786 5 40 HDBB O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 40114880 WOVIPYPBDPCDHD-STQMWFEESA-N 407.370 1.204 5 40 HDBB CS(=O)(=O)c1cc(C(=O)NC2CCN(c3ncccn3)CC2)cc([N+](=O)[O-])c1 58305147 VNORXIKTGZRGQW-UHFFFAOYSA-N 405.436 1.187 5 40 HDBB Cc1cc(NC(=O)COC(=O)CNC(=O)COc2ccccc2)c([N+](=O)[O-])cc1C 5865408 ABLIWJIJLPMUBY-UHFFFAOYSA-N 415.402 1.889 5 40 HDBB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C(N)=O)cc1[N+](=O)[O-] 10810140 OWDXIBGZXGVUFM-LBPRGKRZSA-N 411.418 1.894 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(N)=O)c1 9282922 XXOMGJNXEPWWOP-JTQLQIEISA-N 423.403 1.435 5 40 HDBB COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9576249 RXPURAWSBWKNDC-NSHDSACASA-N 419.887 1.800 5 40 HDBB CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC(=O)N1CCCC1=O 13011675 CFAGYABOCUVMFZ-CQSZACIVSA-N 423.447 1.139 5 40 HDBB Nc1nc(NC[C@H]2CCCO2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 54147601 JSQFTPXRKKWONE-MRXNPFEDSA-N 413.482 1.880 5 40 HDBB CCCCCC[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@H](C)C(=O)O[C@@H](CC1)[C@H]32 5182176 CQNVPEJPYJMVEI-WCTXYMDWSA-N 410.531 1.703 5 40 HDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1C 14208903 HZRIBJRFDSFRSW-OAHLLOKOSA-N 411.480 1.471 5 40 HDBB CSCC[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)O 3886125 SRQVPUSHNDVRPW-CYBMUJFWSA-N 419.481 1.234 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O 9127359 MJYDKPPDDIVZKT-UHFFFAOYSA-N 412.358 1.495 5 40 HDBB CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O 4710246 IXLMWYVEYGQIQX-KUHUBIRLSA-N 402.407 1.219 5 40 HDBB CC1CCN(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 12783052 QVFAWNSXUPRAQF-STQMWFEESA-N 417.418 1.770 5 40 HDBB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)cc1[N+](=O)[O-] 31720811 CMJKQSJAAGJDQL-KRWDZBQOSA-N 405.432 1.948 5 40 HDBB CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)c1cccc([N+](=O)[O-])c1 11689630 AYALXUABKYKCAY-UHFFFAOYSA-N 405.388 1.636 5 40 HDBB CC(C)[C@H]1N(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 12867563 KFGSDEOGFUETDF-INIZCTEOSA-N 412.468 1.335 5 40 HDBB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)c2ccc([N+](=O)[O-])o2)c1=O 12072207 CUWWRAMHUWUWHZ-UHFFFAOYSA-N 422.401 1.881 5 40 HDBB CC[C@H](C(=O)NC1CCN(C)CC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222543378 HKGCIIDUARPMNH-MRXNPFEDSA-N 412.512 1.658 5 40 HDBB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC(=O)c1ccccc1 12926596 YXJLUWGUCZOWAW-UHFFFAOYSA-N 419.777 1.478 5 40 HDBB CC(=O)N1CCN(C(=O)[C@@H](C)N2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)CC1 72308615 IMNAXPSGXWKKKF-OAHLLOKOSA-N 415.494 1.654 5 40 HDBB Cc1nn(C[C@H](C)C(=O)Nn2c(S)nc3ccccc3c2=O)c(C)c1[N+](=O)[O-] 102002738 HCZXQKCEWPTGDE-VIFPVBQESA-N 402.436 1.813 5 40 HDBB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 23107364 SZIJYKRTJGEVRK-SFHVURJKSA-N 416.409 1.862 5 40 HDBB O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 7489285 SIRLGKOEVUCLLH-UHFFFAOYSA-N 419.459 1.648 5 40 HDBB CC(=O)Nc1nonc1N[C@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1nonc1N 8780858 LLUPQUWHYHRAPY-AWEZNQCLSA-N 417.342 1.065 5 40 HDBB CCN(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 9352408 IIIFMWHKJGPPDI-CYBMUJFWSA-N 416.477 1.266 5 40 HDBB COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 25379473 XIQWRABTFAHFQB-UHFFFAOYSA-N 419.459 1.888 5 40 HDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)CC 103629073 UKNPAIAWJHWOHC-PNRGMXNKSA-N 424.457 1.842 5 40 HDBB CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 223651475 JUQXSNAAYJANRH-UHFFFAOYSA-N 404.448 1.783 5 40 HDBB CN(C)[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccco1 9439099 JBRNXKVQGLOCEC-QGZVFWFLSA-N 424.479 1.924 5 40 HDBB O=C1NCCCC[C@H]1Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] 17149760 PEXZHGUIYBDPEN-RTUZYTNCSA-N 410.430 1.987 5 40 HDBB CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 100953194 SMQUSCMMZDEUGJ-CYBMUJFWSA-N 422.777 1.951 5 40 HDBB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1Cl 89773145 CLBDWYSTWYEHGR-RYUDHWBXSA-N 423.809 1.905 5 40 HDBB O=[N+]([O-])c1ccc(OS(=O)(=O)CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1703777 OPAMKJSNBJNJEF-UHFFFAOYSA-N 418.361 1.578 5 40 HDBB COc1ccc(S(=O)(=O)n2nc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2N)cc1 33409025 DZSHOUDUCOCAQZ-UHFFFAOYSA-N 418.387 1.838 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1[C@H]2CC[C@H]1CC1(C2)CN(C)C(=O)CO1 1889040949 SBZXSHLYDGLKGA-GJZGRUSLSA-N 409.464 1.446 5 40 HDBB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 3319709 PQSGFXRSTDIKRE-UHFFFAOYSA-N 421.431 1.706 5 40 HDBB COCc1n[nH]c(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)n1 40399002 WBKYHNVMYRMVLO-GFCCVEGCSA-N 408.418 1.144 5 40 HDBB O=C(NC[C@@H]1CC[C@@]2(COCCN(Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1 306144546 ZIIDYCAAAGBDRQ-SCLBCKFNSA-N 406.395 1.356 5 40 HDBB CC(=O)N1CCN(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 5711032 QMFASDMZCRRTOP-UHFFFAOYSA-N 418.450 1.433 5 40 HDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1cc([N+](=O)[O-])ccc1F 9716813 GAGOKMYZNXZABQ-UHFFFAOYSA-N 422.325 1.842 5 40 HDBB O=C(CSc1nc(=O)n(CCO)c2c1CCCC2)Nc1cccc([N+](=O)[O-])c1 10256702 RYXOURYTWQESFM-UHFFFAOYSA-N 404.448 1.753 5 40 HDBB COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2ccccc2N2CCCC2=O)c1=O 58063628 RHBDEPUXXYQQIK-UHFFFAOYSA-N 414.374 1.309 5 40 HDBB COc1cc(CN2CCC(CS(N)(=O)=O)CC2)c([N+](=O)[O-])cc1OC(F)F 89420843 LACFRVRMVBMYIF-UHFFFAOYSA-N 409.411 1.705 5 40 HDBB COC(=O)/C=C/c1ccc(NCC(=O)N[C@@H](CC(C)C)C(=O)OC)c([N+](=O)[O-])c1 95985536 PSINJBWTILIWRV-VFADXPBXSA-N 407.423 1.897 5 40 HDBB C[C@@H](NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] 537174346 GSGWVTMTPFMRMO-CYBMUJFWSA-N 406.464 1.252 5 40 HDBB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2ccccc2[N+](=O)[O-])cc1 10000471 VUVMZVCUKIROGM-UHFFFAOYSA-N 421.431 1.041 5 40 HDBB C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12796262 NRCCCRBPEJIRMZ-RNCFNFMXSA-N 419.843 1.542 5 40 HDBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(C)=O 101159956 JAUQXEPWJWHLKL-QOCHGBHMSA-N 412.446 1.618 5 40 HDBB Cn1c(Cn2cnc([N+](=O)[O-])n2)nnc1SCC(=O)Nc1cccc(Cl)c1 3624449 GJAYROXDMVPASQ-UHFFFAOYSA-N 408.831 1.747 5 40 HDBB O=C(CSc1nc(=O)n(CCCO)c2c1CCC2)Nc1ccc(F)c([N+](=O)[O-])c1 10256794 GDAYYYHEESIFOX-UHFFFAOYSA-N 422.438 1.893 5 40 HDBB CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 12859279 SMQUSCMMZDEUGJ-ZDUSSCGKSA-N 422.777 1.951 5 40 HDBB COCCNC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 147601097 DQBRSCDWCZGYTQ-UHFFFAOYSA-N 403.391 1.997 5 40 HDBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 4555418 FBSDMNMAFGTIQY-OAHLLOKOSA-N 411.370 1.514 5 40 HDBB NS(=O)(=O)c1ccc(OCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 32850935 REFOKEWLAWEHPD-UHFFFAOYSA-N 406.464 1.443 5 40 HDBB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 24772320 UWUIRCYHUHNTQI-TXEJJXNPSA-N 409.464 1.834 5 40 HDBB COC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC 9472178 DERPYVWALNEHPB-UMNHJUIQSA-N 410.429 1.913 5 40 HDBB CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 12998819 BOVOJHBXUOAJPF-UHFFFAOYSA-N 412.358 1.927 5 40 HDBB CCOC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 29363775 NRPGHWHFSJPRDN-UHFFFAOYSA-N 420.447 1.677 5 40 HDBB COC(=O)c1cc([N+](=O)[O-])ccc1NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 40091242 PGUSTEXBWJHKCG-VXGBXAGGSA-N 401.441 1.232 5 40 HDBB COCCN1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 58214099 SOHCGDUAEVAYCO-OAHLLOKOSA-N 412.512 1.760 5 40 HDBB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220411457 KXJVJIKHWJDVLF-LBPRGKRZSA-N 421.431 1.794 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16042260 SLKXOQKYDNXEGO-GAMBRMEWSA-N 406.398 1.848 5 40 HDBB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)cc1[N+](=O)[O-] 19974115 YNRPWYVNVOKXKR-GFCCVEGCSA-N 411.422 1.940 5 40 HDBB O=C(CN1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccc(OC(F)(F)F)cc1 40115438 GQOMLUNGWZNELW-UONOGXRCSA-N 416.356 1.333 5 40 HDBB CC1CCC(NS(=O)(=O)c2ccc(N3C[C@@H](O)C[C@@H]3CO)c([N+](=O)[O-])c2)CC1 95446164 ZNDNRYUQUWWGHV-CVSAEHQPSA-N 413.496 1.384 5 40 HDBB O=C1c2ccccc2S(=O)(=O)N1CCn1cnc2ccc([N+](=O)[O-])cc2c1=O 12763085 NHAJQEZCIHBPOC-UHFFFAOYSA-N 400.372 1.149 5 40 HDBB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] 100641340 IEVFBIHHVIHAHP-LUVWLHFXSA-N 400.387 1.660 5 40 HDBB COc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 12787105 VYQXDMPHRWRNTP-GFCCVEGCSA-N 415.402 1.982 5 40 HDBB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)cc1[N+](=O)[O-] 31720812 CMJKQSJAAGJDQL-QGZVFWFLSA-N 405.432 1.948 5 40 HDBB C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101146075 IJTIAMMDASPHNP-ZMPPFODHSA-N 400.387 1.740 5 40 HDBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 12137639 GVIOUOQVGFILFV-UHFFFAOYSA-N 421.431 1.633 5 40 HDBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 27370020 GOZUBJRQBGSSHR-CRAIPNDOSA-N 407.471 1.043 5 40 HDBB O=C(NCc1ccnc(N2CCOCC2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 40105435 UDMYLJLVLXQDLP-UHFFFAOYSA-N 408.418 1.942 5 40 HDBB O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1 3040481 KFHBEVLVEBPREH-JKSUJKDBSA-N 405.319 1.185 5 40 HDBB COC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 108259462 XWFWEWWXVKDAAW-YCRREMRBSA-N 400.141 1.129 5 40 HDBB CCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc21 100757236 DQRHLIZHLNDBBU-UHFFFAOYSA-N 417.425 1.807 5 40 HDBB biogenic O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(C[C@H](O)COc2ccccc2)CC1 506474757 PFFAZIFYUOBJMZ-SFHVURJKSA-N 401.419 1.498 5 40 HDBB Cn1cc(Br)c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)n1 5331226 MBNRRVSEKPNACI-UHFFFAOYSA-N 400.214 1.923 5 40 HDBB Cc1cc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 5635699 RAEZWRKFOLWWIV-OAHLLOKOSA-N 412.464 1.732 5 40 HDBB CNS(=O)(=O)c1ccc(N2CCC(c3n[nH]c(C4CC4)n3)CC2)c([N+](=O)[O-])c1 58218611 GCPBOJBBZIXUFT-UHFFFAOYSA-N 406.468 1.882 5 40 HDBB C/C(Cl)=C/Cn1c(Sc2c([N+](=O)[O-])ncn2C)nc2c1c(=O)[nH]c(=O)n2C 10386032 VRUAVNCFCFSCDH-DAXSKMNVSA-N 411.831 1.359 5 40 HDBB Cc1cc([N+](=O)[O-])nn1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 36614513 GZEXEUAEKUVYMF-UHFFFAOYSA-N 407.452 1.595 5 40 HDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(C)=O 101176993 JBYMTZHPNZIZJG-CINSFREOSA-N 410.430 1.452 5 40 HDBB O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 40115366 GAERUIANRXMPMV-STQMWFEESA-N 407.370 1.204 5 40 HDBB Cc1cc(C)n(NC(=O)c2cccc(Cn3cc([N+](=O)[O-])cn3)c2)c(=O)c1C(N)=O 2739689 STIJVFRWEJUOHJ-UHFFFAOYSA-N 410.390 1.101 5 40 HDBB Cc1nn(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c(C)c1[N+](=O)[O-] 25748492 SPXGRMDGGDTQPO-MDWZMJQESA-N 405.480 1.984 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1ccc(NC(C)=O)cc1 113872720 MXLYDIMLVLFQOF-UHFFFAOYSA-N 423.403 1.842 5 40 HDBB CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCS(=O)(=O)C1 12884648 XLGGVPQICBOREX-ZYHUDNBSSA-N 418.855 1.829 5 40 HDBB CC(C)CNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N 101162777 KMLGTHAYMWXFKP-UHFFFAOYSA-N 402.458 1.958 5 40 HDBB COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCO)c([N+](=O)[O-])cc1OC 2157820 NEVZMOXOPLRTIA-GDNBJRDFSA-N 415.402 1.491 5 40 HDBB O=C(O[C@H]1CCOC1=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 9335483 URBRGDOJSYVRBQ-HNNXBMFYSA-N 406.372 1.868 5 40 HDBB O=C(COC1CCCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 40140537 HCFOLWWCIYDVPS-UHFFFAOYSA-N 411.480 1.777 5 40 HDBB CCOc1c(OC(C)=O)ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1[N+](=O)[O-] 107565753 HOJUWWKVUUNNFZ-GQCTYLIASA-N 406.307 1.374 5 40 HDBB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCNc1ccccc1[N+](=O)[O-] 8146326 PDFSYOKESAKULW-UHFFFAOYSA-N 406.464 1.995 5 40 HDBB Cc1nn(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c(C)c1[N+](=O)[O-] 23486773 SEXHKPPRXXBWPB-UHFFFAOYSA-N 415.422 1.650 5 40 HDBB C[C@H](CC1(c2ccccc2)C(=O)NC(=O)NC1=O)OC(=O)c1ccc([N+](=O)[O-])cc1 5432287 POLJISBQSIEHPT-GFCCVEGCSA-N 411.370 1.834 5 40 HDBB COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 12773832 CHAMBPCQJPNNCG-UHFFFAOYSA-N 417.374 1.767 5 40 HDBB NS(=O)(=O)c1ccc(NCc2ccccc2CN2CC[C@H](O)C2)cc1[N+](=O)[O-] 600846543 ICNMMHKZHZGFCZ-INIZCTEOSA-N 406.464 1.421 5 40 HDBB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 9633402 CXKJEZNXNIROSR-UHFFFAOYSA-N 421.431 1.965 5 40 HDBB CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 95995684 GMOBKLIKIQOQEU-UHFFFAOYSA-N 401.422 1.312 5 40 HDBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 12864384 AVLPZSUBLHBVCH-ZDUSSCGKSA-N 410.438 1.864 5 40 HDBB CCOC(=O)c1cnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nc1N 24208870 XYAHVPQCMXTTGX-UHFFFAOYSA-N 407.408 1.883 5 40 HDBB O=C(NCCN1CCOCC1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 20150311 AEYVIQVCPGLGKV-SAPNQHFASA-N 414.418 1.407 5 40 HDBB C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NS(C)(=O)=O)cc1 32928056 CHOXLJMWXRSEKE-GFCCVEGCSA-N 420.447 1.574 5 40 HDBB CN(Cc1ccc(Br)cc1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 40050071 INOJAYNJYAINKE-UHFFFAOYSA-N 423.223 1.277 5 40 HDBB O=C(O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] 3358829 URTAQPFZNFNGDH-CYBMUJFWSA-N 408.388 1.860 5 40 HDBB CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 12526147 FEACOBDNLVPUDE-UHFFFAOYSA-N 401.422 1.352 5 40 HDBB CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC(=O)N1CCCC1=O 13011676 CFAGYABOCUVMFZ-AWEZNQCLSA-N 423.447 1.139 5 40 HDBB Cc1cc(C)n(CCCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)n1 15167794 KSHFEANJXDECTP-UHFFFAOYSA-N 423.495 1.931 5 40 HDBB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 35374710 XOHUUBQQCQPDMO-NSHDSACASA-N 409.420 1.918 5 40 HDBB O=C1NCCCC[C@H]1Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 100851419 PEXZHGUIYBDPEN-WJPHHUGGSA-N 410.430 1.987 5 40 HDBB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 165705545 FCIAPXLOVDWPCW-GNTOHDJUSA-N 415.402 1.498 5 40 HDBB CCNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 22278889 SOTSILYRKWTCRW-UHFFFAOYSA-N 423.447 1.943 5 40 HDBB NC(=O)c1ccc(SCC(=O)OCC(=O)NCc2cccs2)c([N+](=O)[O-])c1 28805568 FBIMVSMLQJOWSG-UHFFFAOYSA-N 409.445 1.707 5 40 HDBB COc1cccc(-n2cc(CNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])nn2)c1 58167263 YSZHWNMLWANMMT-UHFFFAOYSA-N 404.408 1.444 5 40 HDBB COc1cc(C(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])c(OC)c1OC 32430758 MTNDEQCKLWVPPU-RWMBFGLXSA-N 411.455 1.848 5 40 HDBB Cc1nn(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-] 7780183 OWEHQIUEIVQGAG-INIZCTEOSA-N 406.464 1.624 5 40 HDBB O=C1NC(=O)C2(CCN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)N1 22281590 JLQOSQCTOZKQRG-UHFFFAOYSA-N 401.423 1.399 5 40 HDBB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 24453405 YZCHTSIYLSNTRM-UHFFFAOYSA-N 420.447 1.733 5 40 HDBB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 12626888 WCLXOYLUIVCMER-UHFFFAOYSA-N 419.459 1.687 5 40 HDBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc([N+](=O)[O-])c1O 205870326 JVXBVYAXWPOESW-MDWZMJQESA-N 407.404 1.968 5 40 HDBB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 9507251 MFILQYMHHMCJCN-UHFFFAOYSA-N 409.376 1.046 5 40 HDBB Cn1cc(-c2cc(-c3cnn(C)c3)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cn1 17089516 JTKASHADWCZCTD-UHFFFAOYSA-N 413.419 1.829 5 40 HDBB COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2=O)cc1OC 9404006 LWZOYGCAHZMDRM-UHFFFAOYSA-N 412.358 1.704 5 40 HDBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H]1CCOC1=O 6464758 UXKDWXRKAPLQQE-QWHCGFSZSA-N 416.839 1.958 5 40 HDBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(CCOC)c(=O)c3cc2c1=O 40399104 RXWMVLVJCIPHBX-UHFFFAOYSA-N 423.429 1.555 5 40 HDBB Cc1cc(NC(=O)CSCC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)no1 48306393 ZZXUIPQWUKYGCA-UHFFFAOYSA-N 419.463 1.912 5 40 HDBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(CCO)c3nc12 100869976 MKAOGDXUNLLPCZ-UHFFFAOYSA-N 403.442 1.359 5 40 HDBB COc1ccc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c([N+](=O)[O-])c1 9982820 QEHSHUVAVSLYNJ-UHFFFAOYSA-N 400.351 1.453 5 40 HDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 40114878 WOVIPYPBDPCDHD-OLZOCXBDSA-N 407.370 1.204 5 40 HDBB O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 102129920 RJAOONCIKVTNNM-GASCZTMLSA-N 401.375 1.418 5 40 HDBB CN(C)c1ccc(S(=O)(=O)NCC(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] 32958773 ZCBANCJQRLYSLA-UHFFFAOYSA-N 410.496 1.946 5 40 HDBB CCc1cc(=O)[nH]c(NC2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 57721315 AQFXXFZMQMZLID-UHFFFAOYSA-N 407.452 1.506 5 40 HDBB CC/N=c1\nc(NCC)nc2n1[C@@](O)(Nc1ccc(OCC)cc1[N+](=O)[O-])CS2 102916242 LZQIXOQCLNRBEV-KRWDZBQOSA-N 421.483 1.758 5 40 HDBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(NS(C)(=O)=O)CC1 10043159 XEPCCNCGTSTUAL-SNVBAGLBSA-N 404.876 1.589 5 40 HDBB Cn1cc(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 58209869 OKQJQWPHPUOGRS-UHFFFAOYSA-N 407.452 1.159 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 136611867 SLKXOQKYDNXEGO-XGCZVVLISA-N 406.398 1.848 5 40 HDBB COc1ccccc1CNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10434060 QBZMIYLZDLJFER-UHFFFAOYSA-N 407.448 1.994 5 40 HDBB COc1ccc(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 14153645 XBPWTCKQGDZPKM-UHFFFAOYSA-N 423.447 1.694 5 40 HDBB Nc1ccc(/C=C\c2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 17299131 GHBWBMDGBCKAQU-UPHRSURJSA-N 400.390 1.841 5 40 HDBB O=C(C1=NO[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1ccc([N+](=O)[O-])cc1 104819155 OHFWWHNIWSUOME-CJNGLKHVSA-N 410.298 1.630 5 40 HDBB CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc2n(C)c(=O)c3ccccc3n12 12543787 WQTVRVCVHQCXED-UHFFFAOYSA-N 408.374 1.888 5 40 HDBB CC1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 12783045 QVFAWNSXUPRAQF-OLZOCXBDSA-N 417.418 1.770 5 40 HDBB Cc1ccc(C(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 6180852 XCMJNXCZCOZLPM-UHFFFAOYSA-N 406.416 1.998 5 40 HDBB O=C(NCCCNC(=O)c1cnccn1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 7367635 MHHFGJZGIXJWPN-UHFFFAOYSA-N 412.450 1.925 5 40 HDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 40115364 GAERUIANRXMPMV-OLZOCXBDSA-N 407.370 1.204 5 40 HDBB Cc1ccc2nc3c(cc(C(=O)NCCN4CCOCC4)c(=N)n3C(C)C)c(=O)n2c1 6860225 WDRJRJZEBNTSSX-UHFFFAOYSA-N 424.505 1.080 5 40 HDBB O=C1CN(c2ccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cn2)CCN1 27268358 ZOSCSUIRUQVJHR-UHFFFAOYSA-N 407.390 1.364 5 40 HDBB CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1 19020101 MXFHSNLXGIIXNP-GOSISDBHSA-N 411.462 1.822 5 40 HDBB CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 59419221 CWKQPFAXFWBENI-UHFFFAOYSA-N 423.473 1.984 5 40 HDBB CN1CCN(S(=O)(=O)c2ccc(N[C@H](CO)C(C)(C)C)c([N+](=O)[O-])c2)CC1 97237213 PJZCDKOCKGHTAU-MRXNPFEDSA-N 400.501 1.350 5 40 HDBB COC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cc3c(cc21)OCO3 101035429 LAXCUGXSQOUKEC-MSUUIHNZSA-N 405.344 1.847 5 40 HDBB C[N+](C)(CCOC(=O)[C@](O)(c1ccccc1)C1CCCC1)CN1C(=O)CCC1=O 1831241 MNRUYZPLVHJDTJ-QFIPXVFZSA-N 403.499 1.791 5 40 HDBB O=[N+]([O-])c1ccc2c(cnn2CN2CCN(S(=O)(=O)c3cccs3)CC2)c1 23486686 CNHUAWYKQFCERR-UHFFFAOYSA-N 407.477 1.970 5 40 HDBB Cc1nc(NCCSCCCO)nc(NCCSCCCO)c1[N+](=O)[O-] 95446236 LTIVJROLTLLBCE-UHFFFAOYSA-N 405.546 1.748 5 40 HDBB CC(=O)C[C@H](OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 409337127 XFNFWGILTSMFKI-YNIGFRRXSA-N 414.370 1.319 5 40 HDBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 6580637 YWEUWNWWOCKLGD-HXUWFJFHSA-N 410.386 1.935 5 40 HDBB O=[N+]([O-])c1ccc(N2CCN(Cc3nnnn3Cc3ccc4c(c3)OCO4)CC2)cc1 13505169 OXAPGVPQCKCAPH-UHFFFAOYSA-N 423.433 1.681 5 40 HDBB CCCN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 57992103 PZIVHIBWCPLOQZ-UHFFFAOYSA-N 424.523 1.550 5 40 HDBB O=C(CN1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1)Nc1ccc(OC(F)(F)F)cc1 40115432 GQOMLUNGWZNELW-KGLIPLIRSA-N 416.356 1.333 5 40 HDBB O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1 3040483 KFHBEVLVEBPREH-CVEARBPZSA-N 405.319 1.185 5 40 HDBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCCOCC(F)(F)F)CC2)c1 58158589 FYHCRWCOMCYJLT-UHFFFAOYSA-N 411.402 1.870 5 40 HDBB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1Cl 89773142 CLBDWYSTWYEHGR-TXEJJXNPSA-N 423.809 1.905 5 40 HDBB CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 3040517 JSCRYBWZAFNSLA-IAGOWNOFSA-N 408.432 1.847 5 40 HDBB C[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)N1C(=O)c2ccccc2C1=O 3480297 KUYRPWRGULHJJF-JTQLQIEISA-N 415.333 1.900 5 40 HDBB CS(=O)(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 9469926 UEHZXDNSZZGVJV-CYBMUJFWSA-N 412.468 1.009 5 40 HDBB O=C(O)CNS(=O)(=O)c1ccc(NC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 15981155 AOTBKYTVUGMIRX-LLVKDONJSA-N 423.403 1.210 5 40 HDBB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 26722730 SVSZGXRWABEOOT-UHFFFAOYSA-N 409.420 1.780 5 40 HDBB CCOC(=O)N1CCN(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 9352308 FUSXZPBBINYMTF-UHFFFAOYSA-N 411.436 1.531 5 40 HDBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)nc1 12523048 KJANTXRKVFUQRD-UHFFFAOYSA-N 415.450 1.815 5 40 HDBB Cc1nc(NC2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)[nH]c(=O)c1C 57721219 PMCRECNKXIXWSX-UHFFFAOYSA-N 407.452 1.560 5 40 HDBB O=C(NC[C@@H]1CCCO1)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 12599957 CVIFNYRJFKKFCG-CALCHBBNSA-N 403.435 1.569 5 40 HDBB COc1ccc(CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)cc1OC 1547205992 VIOZYPCNCHTPPI-CABCVRRESA-N 413.430 1.962 5 40 HDBB biogenic O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1ccccc1[N+](=O)[O-] 13008269 FDYCIIVFSZXAEQ-UHFFFAOYSA-N 408.370 1.995 5 40 HDBB Cc1ccc2c(=O)c3c(O)cc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)cc3oc2c1 40267445 GQQZCYCWJFFLPZ-LBPRGKRZSA-N 417.439 1.642 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1ccc2c(c1)OCCO2 225085695 QAQUCGHYNZMMTB-UHFFFAOYSA-N 408.388 1.954 5 40 HDBB CCN(C(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCS(=O)(=O)C1 12985833 KUPOZSYLUWTOTK-CMPLNLGQSA-N 418.855 1.829 5 40 HDBB Cc1nn(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)c1[N+](=O)[O-] 25284847 SZMPBJOJPOLVOZ-UHFFFAOYSA-N 424.439 1.280 5 40 HDBB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 102128779 ULWPKNYLYRLMPX-IYBDPMFKSA-N 416.386 1.846 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(N)=O)[C@@H]2C1=O 9090049 KEKUGUJXCCMEHX-KANFNMMFSA-N 418.409 1.778 5 40 HDBB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)nc2c1 9634547 QIEAYSJZFBANDA-UHFFFAOYSA-N 415.362 1.175 5 40 HDBB Cc1c(Cl)cc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] 12902280 XWUBHDGINVIYFD-UHFFFAOYSA-N 411.889 1.259 5 40 HDBB O=C(CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)NC[C@@H]1CCCO1 409211922 OPKVFVXZSARYCI-ODYDIQAQSA-N 407.404 1.632 5 40 HDBB Cc1cc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ccc1[N+](=O)[O-] 3583359 CDFKSDVQQMRKMB-UHFFFAOYSA-N 414.443 1.810 5 40 HDBB COc1ccc(CCNC(=O)c2nc(Cn3nc([N+](=O)[O-])cc3C)no2)cc1OC 17090539 REDICILBVHURLI-UHFFFAOYSA-N 416.394 1.521 5 40 HDBB CNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 29053040 ZPSKFDIJMIKHFL-UHFFFAOYSA-N 401.422 1.312 5 40 HDBB O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c1 533140262 PFLUWCSUUOYMRS-ARFHVFGLSA-N 400.357 1.979 5 40 HDBB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 13126141 OUPHXPQDKLSKBI-UHFFFAOYSA-N 405.363 1.369 5 40 HDBB CCn1c(SCC(N)=O)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409134929 OQLJLUKHEHDYSY-AWEZNQCLSA-N 406.468 1.911 5 40 HDBB CCN(C(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 12893566 RXASUQCXDJVDDD-CMPLNLGQSA-N 418.855 1.829 5 40 HDBB O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 40115825 SZEZVBBKKUSWNA-KBPBESRZSA-N 403.826 1.200 5 40 HDBB CC1CCC(NC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 7159929 QWDZKXFMIFPOIW-IDQHFDBOSA-N 411.480 1.414 5 40 HDBB O=[N+]([O-])c1ccccc1N(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccccc1 19882261 DMWNKPHJXKKLSB-MRXNPFEDSA-N 421.475 1.483 5 40 HDBB O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 506474756 PFFAZIFYUOBJMZ-GOSISDBHSA-N 401.419 1.498 5 40 HDBB CCCn1c(N)c(N(CCOC)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(=O)[nH]c1=O 13134490 UMYBABQINCMBAS-UHFFFAOYSA-N 405.411 1.039 5 40 HDBB O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 97412272 JFTBCEAHVDNVEU-BETUJISGSA-N 421.381 1.781 5 40 HDBB O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 2214434 PPIIOAZUVXKWCK-INIZCTEOSA-N 400.366 1.703 5 40 HDBB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] 8686693 IWMILNLZWOFJPS-UHFFFAOYSA-N 415.449 1.655 5 40 HDBB O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 40115370 GAERUIANRXMPMV-QWHCGFSZSA-N 407.370 1.204 5 40 HDBB O=C(CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)NC[C@H]1CCCO1 409211920 OPKVFVXZSARYCI-DKTFCQPKSA-N 407.404 1.632 5 40 HDBB CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)o1 25056146 QNSPWBHVNALUFY-UHFFFAOYSA-N 423.447 1.906 5 40 HDBB CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9355764 FLEOVDVDYFCFAZ-UHFFFAOYSA-N 413.496 1.927 5 40 HDBB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 12530599 GPYPOZKSQLSDIM-RYUDHWBXSA-N 423.809 1.905 5 40 HDBB O=C(NCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 24962658 IOACLFULHDUHQI-UHFFFAOYSA-N 404.448 1.811 5 40 HDBB Cc1c(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 78821776 KIWCZOZTIMAKDZ-FRRDWIJNSA-N 412.512 1.647 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113890362 RYVHPLJHQKBYIK-UHFFFAOYSA-N 411.348 1.792 5 40 HDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccc(Cn2cccn2)cc1 8882011 SKWZGVHDIRTABH-UHFFFAOYSA-N 419.397 1.752 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCc2ccccc21)S(C)(=O)=O 10449295 NOKKGYBICMZESF-UHFFFAOYSA-N 405.432 1.959 5 40 HDBB O=C(CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 52395472 GCCGBIYEPDLTQE-SSDOTTSWSA-N 415.777 1.982 5 40 HDBB COC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc3c(c2)OCO3)c1=N 101295955 CBQXAKRRGSWJLD-UHFFFAOYSA-N 404.382 1.692 5 40 HDBB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 9924404 YMDWOZGKAPWPFF-GFCCVEGCSA-N 407.423 1.984 5 40 HDBB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])n1 5688269 BRICPBGXKITSKR-INIZCTEOSA-N 419.459 1.893 5 40 HDBB Cn1c(=O)c2c(-c3cc([N+](=O)[O-])ccc3Br)n(CCO)cc2n(C)c1=O 9164649 NYPBWANHQSTHIB-UHFFFAOYSA-N 423.223 1.369 5 40 HDBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154356 CRGQMTIDIJWLMZ-UHFFFAOYSA-N 401.379 1.930 5 40 HDBB Cc1nn(C(=O)COc2ccccc2[N+](=O)[O-])c(C)c1S(=O)(=O)N1CCCC1 16976003 AEZSCZDRNMYUCL-UHFFFAOYSA-N 408.436 1.912 5 40 HDBB Cn1cnnc1[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1 31653433 DNYOJJQJZGZAEG-AWEZNQCLSA-N 420.495 1.892 5 40 HDBB Cn1c(=O)c2[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc2n(C)c1=O 100970373 RCOUMROKXZVUIB-UHFFFAOYSA-N 424.826 1.253 5 40 HDBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 408643462 ABUCYJPOKXITMH-GFCCVEGCSA-N 417.374 1.727 5 40 HDBB COc1ccc(NC(=O)C(=O)c2c(O)c3ccc(O)cc3oc2=O)c([N+](=O)[O-])c1 5824123 UCKDPASPZJIABB-UHFFFAOYSA-N 400.299 1.942 5 40 HDBB CC(C)OCCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 35593229 VHOAONIOLGNYMJ-UHFFFAOYSA-N 400.501 1.758 5 40 HDBB NC(=O)NC(=O)CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 40120744 HIDCLKJVLKPPCV-UHFFFAOYSA-N 403.464 1.636 5 40 HDBB O=C1NCCN1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 48312396 WOYGQNLXWBXEBL-OAHLLOKOSA-N 423.495 1.373 5 40 HDBB CSc1nnc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 225765675 VSRRFPKYJPQETE-QMMMGPOBSA-N 417.494 1.961 5 40 HDBB Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)N(C)C)CC3)ccc2[N+](=O)[O-])n1 9971873 YQERTEDYUZGFIF-UHFFFAOYSA-N 408.484 1.326 5 40 HDBB CC(C)(C)OC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 23486310 YDUFNBWMPWYOLK-HNNXBMFYSA-N 401.485 1.077 5 40 HDBB O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1 3040485 KFHBEVLVEBPREH-HZPDHXFCSA-N 405.319 1.185 5 40 HDBB CN(C)C(=O)O[C@H]1CCC[N+](C)(CCC[N+]2(C)CCC[C@H](OC(=O)N(C)C)C2)C1 5046555 KOLHITJIMTXHLM-DLKVDTICSA-N 414.591 1.991 5 40 HDBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)N[C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 16276686 RRPBDMOQEUVBAR-VBQJREDUSA-N 424.548 1.964 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N1CCN(c2ncccn2)CC1 9469383 NJQMZZQLPNHZIT-UHFFFAOYSA-N 418.479 1.496 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc(C)c1)S(C)(=O)=O 13672470 HXSXJSIHQMIULH-UHFFFAOYSA-N 407.448 1.994 5 40 HDBB C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O 31658841 PTMXWYKHTNQJPB-QGZVFWFLSA-N 417.403 1.161 5 40 HDBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])c1 18040553 OMBCTFUUQNPNIK-UHFFFAOYSA-N 412.512 1.930 5 40 HDBB O=C(c1ccc(N2CCN(C(=O)C3CCCC3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 32829601 SRXFJLYHECEWQR-UHFFFAOYSA-N 416.478 1.906 5 40 HDBB CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)ccc21 24751203 COYAOCIJVQCKET-SFHVURJKSA-N 419.459 1.770 5 40 HDBB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c([N+](=O)[O-])cc1C 102592321 GJLVFBYNYMDACS-ZIAGYGMSSA-N 417.418 1.869 5 40 HDBB C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 5930831 NHMQUGWTJOIDLJ-BMGDILEWSA-N 412.446 1.583 5 40 HDBB COc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c([N+](=O)[O-])c1 26548954 RAGBLFPREIGLLS-UHFFFAOYSA-N 409.420 1.871 5 40 HDBB CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1ccc2cc([N+](=O)[O-])ccc21 245380261 VCVRZLCSAQZAAQ-XWSJACJDSA-N 420.374 1.873 5 40 HDBB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12 408734591 ZAEKDVHAEUYCJO-KNPMLCFXSA-N 409.192 1.553 5 40 HDBB CC(C)C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)O 9422584 WMQITUWFZHUMPA-AWEZNQCLSA-N 401.441 1.527 5 40 HDBB C[C@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 24831157 ZFLMANQQUMSMSS-JTQLQIEISA-N 423.403 1.419 5 40 HDBB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 100961947 IXQKZKXFKWDJRZ-IRXDYDNUSA-N 408.374 1.835 5 40 HDBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 9714639 JXFQPKAZFFRTRU-UHFFFAOYSA-N 421.383 1.809 5 40 HDBB Cc1nn(C)c(C)c1C1=NO[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 101475334 XQQZYBNDRKQGGI-DZGCQCFKSA-N 403.782 1.891 5 40 HDBB O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 23106825 HFAHLWWEDPAINU-OAHLLOKOSA-N 404.448 1.785 5 40 HDBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 102638816 RRPBDMOQEUVBAR-GRDNDAEWSA-N 424.548 1.964 5 40 HDBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccccc2F)CC1 5419043 FUVCCDFZDXQJEK-UHFFFAOYSA-N 407.423 1.810 5 40 HDBB CC(=O)Nc1nc(Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)cs1 32831881 UFCNFONHOUNYQC-UHFFFAOYSA-N 411.403 1.954 5 40 HDBB Cc1ccc2c(=O)c3ccc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)cc3oc2c1 41128038 DAPANICJJXNENL-ZDUSSCGKSA-N 401.440 1.937 5 40 HDBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NCC1(N2CCOCC2)CCCCC1 12888438 URTIDLIVFKBLDU-UHFFFAOYSA-N 405.451 1.903 5 40 HDBB CN1CCN(c2cc3c(cc2NC(=O)c2ccc([N+](=O)[O-])cc2)n(C)c(=O)n3C)CC1 408536376 WINRQHCWZYJZJW-UHFFFAOYSA-N 424.461 1.789 5 40 HDBB CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc([N+](=O)[O-])cc1 2438898 SUPUIGOEHLINRL-UHFFFAOYSA-N 400.439 1.992 5 40 HDBB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9961024 URQRGUUSXYKJKW-UHFFFAOYSA-N 417.422 1.331 5 40 HDBB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12522278 PIDXATNGABRANO-FQEVSTJZSA-N 423.473 1.156 5 40 HDBB CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286419 IMEFHJVFSIXSFC-SFHVURJKSA-N 417.466 1.403 5 40 HDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3ccc([N+](=O)[O-])cn3)cc21 107965431 KNHUOXYCSMXCPT-UHFFFAOYSA-N 418.391 1.819 5 40 HDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(O)(CN2CCOCC2)CC1 95459752 OPDSVNLOAYVRCI-UHFFFAOYSA-N 406.483 1.391 5 40 HDBB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12 408734592 ZAEKDVHAEUYCJO-MPTQWLOMSA-N 409.192 1.553 5 40 HDBB O=C1N[C@H](c2ccc([N+](=O)[O-])o2)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 5447302 OQYIMGREVYXFEF-MISXGVKJSA-N 400.269 1.687 5 40 HDBB CN1CCN(C(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)c3ccccc3c2=O)CC1 20502437 ROHZGOWWHJTBGE-UHFFFAOYSA-N 407.430 1.746 5 40 HDBB COc1nn(C)cc1C(=O)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 36709504 WDLKVHPNYZEWDB-UHFFFAOYSA-N 402.436 1.909 5 40 HDBB Cc1nn(CC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)c(C)c1[N+](=O)[O-] 84013813 PLKPNLQTGKCDCV-HNNXBMFYSA-N 408.411 1.891 5 40 HDBB CCC[C@H]1N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2C(C)=C1C(=O)OCC 108054128 CGDMDKLEUSJRSK-AUWXEVLLSA-N 405.432 1.836 5 40 HDBB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 1547205989 ONNUDULBLMXRDQ-OWCLPIDISA-N 422.441 1.755 5 40 HDBB biogenic Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cn1 12847763 NZYSEGCCCIJBLW-UHFFFAOYSA-N 404.448 1.753 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCN(CCO)CC1 15209318 DRURKMYNECQJBE-UHFFFAOYSA-N 412.512 1.274 5 40 HDBB O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccc1[N+](=O)[O-] 19991252 DRQRMIZJRVKYMS-OAQYLSRUSA-N 411.414 1.692 5 40 HDBB CCOC(=O)[C@@H](C)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 79021997 CVKGYDVGLODCTI-ZDUSSCGKSA-N 414.484 1.142 5 40 HDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc21 408526457 CBAWEXGSPRUALR-UHFFFAOYSA-N 416.306 1.854 5 40 HDBB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408713205 NYKOWTWYHDYYOD-UHFFFAOYSA-N 406.420 1.100 5 40 HDBB Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] 558749109 MJBARMFNQLXRDD-NSHDSACASA-N 402.333 1.907 5 40 HDBB CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])CC1 15205755 QARDOLFYPIWHPM-AWEZNQCLSA-N 410.496 1.684 5 40 HDBB O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 2748311 RUCUOHDSPIPEFJ-UHFFFAOYSA-N 400.391 1.911 5 40 HDBB CNC1=C([N+](=O)[O-])CC([N+](=O)[O-])=C(N2CCN(C(=O)Nc3ccccc3)CC2)N1C 3190011 BQAHNQVRCCKKJK-UHFFFAOYSA-N 417.426 1.283 5 40 HDBB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71980275 YWDWBSPPNZGAPH-OAHLLOKOSA-N 422.394 1.631 5 40 HDBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(N)=O)[C@@H]2C1=O 106534870 AEDRUXHQYQPUDY-WJFTUGDTSA-N 418.409 1.904 5 40 HDBB COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225000505 CIEWJKAGVNMSQU-UHFFFAOYSA-N 408.388 1.750 5 40 HDBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 2474768 GZSSZDPWLHPTIS-UHFFFAOYSA-N 418.229 1.148 5 40 HDBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H]1CCOC1=O 6464761 UXKDWXRKAPLQQE-OLZOCXBDSA-N 416.839 1.958 5 40 HDBB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 9425430 ADWHOQXCOBLWGX-UHFFFAOYSA-N 413.795 1.691 5 40 HDBB CC[C@H](C)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCS(=O)(=O)C1 12521862 OWOWWEZUEFNCMU-AAEUAGOBSA-N 413.452 1.148 5 40 HDBB Cc1nn(C)c(C)c1C1=NO[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 102725760 XQQZYBNDRKQGGI-HIFRSBDPSA-N 403.782 1.891 5 40 HDBB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 34783174 RSRHPJYSALPETK-UHFFFAOYSA-N 404.448 1.540 5 40 HDBB Cc1cc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)ccc1[N+](=O)[O-] 224200112 HPBNIWCPSILNOV-UHFFFAOYSA-N 407.448 1.962 5 40 HDBB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1=O 9284682 OKSZGNIBWZTAAO-LJQANCHMSA-N 412.358 1.729 5 40 HDBB O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCn1nnc2ccccc2c1=O 13148856 DDKPIFGGBBNQMM-UHFFFAOYSA-N 417.765 1.284 5 40 HDBB CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 16837619 KXAUTIMZQLDJPC-UHFFFAOYSA-N 404.408 1.448 5 40 HDBB COc1ccc(Cn2nnnc2CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 19556196 RRPXGTNGMLZTHI-UHFFFAOYSA-N 409.450 1.960 5 40 HDBB O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 7654020 BTESMOQLMZSIAI-GOSISDBHSA-N 415.446 1.881 5 40 HDBB COc1ccc(C(=O)NCC(=O)NCc2ccccc2Cn2cccn2)cc1[N+](=O)[O-] 25406502 ZECNYOZIGSDULV-UHFFFAOYSA-N 423.429 1.894 5 40 HDBB O=C1COc2ccc(C(=O)N3C[C@@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)cc2N1 604404097 CEVJHTXXORXNQT-AAEUAGOBSA-N 410.386 1.347 5 40 HDBB COc1ccc(CCNC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1OC 5710167 HAXKBZORXCPNHP-UHFFFAOYSA-N 403.391 1.710 5 40 HDBB CNS(=O)(=O)c1ccc(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 12557822 SKQICFDODXMPQC-STQMWFEESA-N 400.501 1.803 5 40 HDBB Cc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1[N+](=O)[O-] 14207119 HBWRMQJQZGEDKI-UHFFFAOYSA-N 401.423 1.703 5 40 HDBB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 35461847 YAOFXBFQULHTKI-UHFFFAOYSA-N 404.448 1.783 5 40 HDBB O=C(CN1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1)Nc1ccccc1C(F)(F)F 40115887 CUUNWIMZQAIKKJ-RISCZKNCSA-N 400.357 1.453 5 40 HDBB CC(C)[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 8774308 JQFREAXOBBFZBZ-ZDUSSCGKSA-N 415.468 1.155 5 40 HDBB O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 89845773 BOCJIEPMNODRCW-UHFFFAOYSA-N 419.459 1.897 5 40 HDBB COc1cc(C(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])c(OC)c1OC 32430757 MTNDEQCKLWVPPU-UPJWGTAASA-N 411.455 1.848 5 40 HDBB Nc1c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1S(N)(=O)=O 95464681 YYUJNSKFWDFDMQ-UHFFFAOYSA-N 406.829 1.279 5 40 HDBB COC(=O)c1ccc(SCCC(=O)CNc2nc(N)nc(N)c2[N+](=O)[O-])cc1 5386675 WBUIUKSSHSEQPZ-UHFFFAOYSA-N 406.424 1.499 5 40 HDBB CC(C)OC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1[N+](=O)[O-] 12401616 PZSOXNOGNYAAIA-CQSZACIVSA-N 402.359 1.687 5 40 HDBB biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)c1n[nH]cc1[N+](=O)[O-] 8440696 SWQBFOLBBOYEKE-UHFFFAOYSA-N 423.798 1.814 5 40 HDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)C1CC1 103628432 UJOIOGRVSKMHHX-NKFKGCMQSA-N 410.430 1.310 5 40 HDBB CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O 4710243 IXLMWYVEYGQIQX-AUUYWEPGSA-N 402.407 1.219 5 40 HDBB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1Cl 17991697 CLBDWYSTWYEHGR-VXGBXAGGSA-N 423.809 1.905 5 40 HDBB C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ncccn2)CC1 32958705 ACSMKPZDAXFGPS-LBPRGKRZSA-N 418.841 1.505 5 40 HDBB CCCS(=O)(=O)NC1CCN(c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 58004329 JLKAEXYHCNLRPO-UHFFFAOYSA-N 405.498 1.297 5 40 HDBB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 22061448 QGMDCIWXBQPRMQ-GOSISDBHSA-N 400.391 1.975 5 40 HDBB COC(=O)[C@@H](O)CNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] 96011338 BJYMBOIGFQWSCP-PPUFBPAQSA-N 415.468 1.398 5 40 HDBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2[C@H](C)O1 5377706 VIXMBQCARUTQKT-PGUXBMHVSA-N 402.407 1.170 5 40 HDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1N1CCOCC1 5701757 OBRGYQXKWNCBBF-UHFFFAOYSA-N 410.386 1.666 5 40 HDBB CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C)C[C@@H]32)C1=O 55232035 NOKXIGUAECPSIN-OXQOHEQNSA-N 415.450 1.088 5 40 HDBB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 102283144 BJUJKGYJNCVILZ-GASCZTMLSA-N 404.375 1.680 5 40 HDBB CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cn2)CC1 36392383 RFDQKZJAFNOJSF-UHFFFAOYSA-N 405.480 1.610 5 40 HDBB O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 49632636 DCAKNOMRQBAGLV-KGLIPLIRSA-N 407.448 1.884 5 40 HDBB COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cn1 9285808 INIPUOSIPJSZFK-UHFFFAOYSA-N 410.408 1.314 5 40 HDBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1 25112574 LXTMREGYUGXEAJ-UHFFFAOYSA-N 406.416 1.973 5 40 HDBB CCC[C@@H]1N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2C(C)=C1C(=O)OCC 108054136 CGDMDKLEUSJRSK-OQZOHAQUSA-N 405.432 1.836 5 40 HDBB CN1N=C(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1=O 21918840 ZKUFETYOAZGYAH-UHFFFAOYSA-N 413.356 1.870 5 40 HDBB O=C(N1CCCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 40151543 ONIBSYPHOGSFBP-UHFFFAOYSA-N 400.432 1.646 5 40 HDBB CC1=C(C(=O)NCCO[N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1 68606499 LGKOYMUTGBZNMD-AWEZNQCLSA-N 407.339 1.388 5 40 HDBB biogenic Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 100641338 IEVFBIHHVIHAHP-DSIZOQBWSA-N 400.387 1.660 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113889088 KYMMUGGGSVZVRI-UHFFFAOYSA-N 411.348 1.792 5 40 HDBB COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)C=O)[C@@H]1c1cccc([N+](=O)[O-])c1 19314768 MTITWMNOQGJZBI-GOSISDBHSA-N 417.418 1.634 5 40 HDBB O=C1CN(c2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cn2)CCN1 31719148 WUVPJUVFQGVUFH-UHFFFAOYSA-N 424.461 1.781 5 40 HDBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(N)=O)N1C=Cc3ccccc3[C@@H]21 35087262 AEDRUXHQYQPUDY-RDGPPVDQSA-N 418.409 1.904 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225033806 FVMOVYXFSHZRRA-UHFFFAOYSA-N 411.348 1.792 5 40 HDBB CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)ccc21 24751199 COYAOCIJVQCKET-GOSISDBHSA-N 419.459 1.770 5 40 HDBB O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 22525083 CBKDNHKAZHAGAY-UHFFFAOYSA-N 419.459 1.971 5 40 HDBB CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@@H]1OC(C)=O 245380260 VCVRZLCSAQZAAQ-HCXYKTFWSA-N 420.374 1.873 5 40 HDBB COC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3C)C(=O)[C@H]12 5549152 GNGNRDLEGYZPHX-MGPUTAFESA-N 408.370 1.420 5 40 HDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(c2ccc(F)cc2)CC1 10192368 XOTBHWHXTXZWCN-UHFFFAOYSA-N 412.377 1.679 5 40 HDBB COc1cccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)c1 23108053 WCELIDCMEQUITP-IBGZPJMESA-N 421.475 1.955 5 40 HDBB C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)Nc1ccc(C(N)=O)cc1 23264297 MDAQUECEDGDKHK-SNVBAGLBSA-N 415.358 1.649 5 40 HDBB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21)Nc1cccc(F)c1 100961505 JPEASLOFECOCME-HOTGVXAUSA-N 412.337 1.666 5 40 HDBB COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225001986 XFEQAVXABSASHN-UHFFFAOYSA-N 410.404 1.980 5 40 HDBB CCOC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 100942631 ONOCLMMMYKKURJ-NVXWUHKLSA-N 408.370 1.892 5 40 HDBB CC(=O)c1ccc(N2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)c(F)c1 12553812 PVZNOAMPLMZKEZ-UHFFFAOYSA-N 422.438 1.911 5 40 HDBB COc1cc(/C=C/C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC(F)F 12907735 ABYPUQBHDCRIBR-UFFNRZRYSA-N 420.390 1.864 5 40 HDBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2nonc12 15162310 OJLYYNYYRVXNQU-UHFFFAOYSA-N 407.383 1.781 5 40 HDBB CS(=O)(=O)N1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 32906099 AZEGIRBGFCJPNM-UHFFFAOYSA-N 413.499 1.649 5 40 HDBB COC(=O)C(C(=O)OC)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] 12949813 PFGIZXIQFYFDJU-UHFFFAOYSA-N 422.415 1.850 5 40 HDBB CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C 17287859 CKEGVQIONYZMBW-UHFFFAOYSA-N 416.481 1.676 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(C[C@@H](O)CN(C)C)S(=O)(=O)c1ccccc1 2206735 PXGQGVIQIHOZNN-HNNXBMFYSA-N 409.464 1.721 5 40 HDBB Nc1cccc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 97147718 HNSSAFRTFVKLBW-UHFFFAOYSA-N 404.448 1.714 5 40 HDBB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 9508255 NCBXGXQOOZXDNN-UHFFFAOYSA-N 424.410 1.952 5 40 HDBB Cc1cc(NC(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)no1 9780809 ZCSPXJYQJVAZQK-UHFFFAOYSA-N 402.319 1.059 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H]1CCS(=O)(=O)C1 9788926 SDRYZIIIHHRCEI-GFCCVEGCSA-N 403.482 1.368 5 40 HDBB CCOC(=O)c1cc([N+](=O)[O-])c(Nc2nc3nonc3n3cnnc23)c([N+](=O)[O-])c1 16687748 GEJRHITWDUTKIU-UHFFFAOYSA-N 415.282 1.397 5 40 HDBB CC1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 12783048 QVFAWNSXUPRAQF-QWHCGFSZSA-N 417.418 1.770 5 40 HDBB C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 103935973 MIQZZZUSWDELKT-APYUEPQZSA-N 415.402 1.805 5 40 HDBB O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1 9013334 JSJSKRCLMRNADM-KRWDZBQOSA-N 421.413 1.199 5 40 HDBB Cc1cnc2c(c1SCC(=O)Nc1ccc([N+](=O)[O-])cc1)c(=O)n(C)c(=O)n2C 10216330 BZDLEIPULZJMBI-UHFFFAOYSA-N 415.431 1.580 5 40 HDBB CCCCn1c(N)c(N(CC)C(=O)CSc2ccc([N+](=O)[O-])cc2)c(=O)[nH]c1=O 12935943 ZZFBXOWSPHGFPC-UHFFFAOYSA-N 421.479 1.972 5 40 HDBB O=C([C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 48310978 CXSLTDJMBVNDJG-MRXNPFEDSA-N 416.482 1.566 5 40 HDBB CCOC(=O)C(C(=O)OCC)[C@@H](C[N+](=O)[O-])c1cc(OC)c2c(c1OC)OCO2 66088510 DCFKOKJNBHNPCE-NSHDSACASA-N 413.379 1.535 5 40 HDBB CCN(CCC(=O)OC)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 79109166 GFGRVERHNWDBFU-UHFFFAOYSA-N 401.441 1.005 5 40 HDBB O=C(CNC(=O)c1ccco1)NCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1810705 LCLFPXZCZVRYTI-UHFFFAOYSA-N 423.765 1.113 5 40 HDBB C[C@H](CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 21635615 QKOFJFALMDZMEV-CYBMUJFWSA-N 406.464 1.964 5 40 HDBB COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc([N+](=O)[O-])c1 3555682 WSDVNRIVBSTQCK-UHFFFAOYSA-N 407.404 1.884 5 40 HDBB Cc1[nH]c(CN(C)C(=O)NCCN2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 95455553 RQPKEIBWSIJXBR-UHFFFAOYSA-N 402.455 1.767 5 40 HDBB COCCCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3cc(C)ccc3nc21 100627998 YDQDDGBBHDVYDW-UHFFFAOYSA-N 421.457 1.997 5 40 HDBB Cn1nc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1=O 3454354 BOQKTWDDQXDRFQ-UHFFFAOYSA-N 421.416 1.230 5 40 HDBB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21)Nc1ccccc1[N+](=O)[O-] 10433647 XGBZEDPPWSTLIU-CVEARBPZSA-N 412.337 1.666 5 40 HDBB CN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)[C@@H]1CCS(=O)(=O)C1 12537924 FJJJWPGSSKNUSU-SNVBAGLBSA-N 401.491 1.942 5 40 HDBB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3c3ncc[nH]3)c([N+](=O)[O-])c2)CC1 95467588 KLHYDJRQJVLUNV-MRXNPFEDSA-N 420.495 1.596 5 40 HDBB CN1CCN(S(=O)(=O)c2ccc(-n3nnc4ccccc43)c([N+](=O)[O-])c2)CC1 12908421 KWMCABLSFJZZRO-UHFFFAOYSA-N 402.436 1.265 5 40 HDBB Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 941647 FJIYCJPJBJPRNF-UHFFFAOYSA-N 411.370 1.990 5 40 HDBB O=C(C1=NO[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1ccc([N+](=O)[O-])cc1 16400689 OHFWWHNIWSUOME-CZUORRHYSA-N 410.298 1.630 5 40 HDBB O=C(NCCC(=O)N1CCCN(C(=O)C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 30650068 UKUVZAGKZPTOFW-UHFFFAOYSA-N 416.478 1.966 5 40 HDBB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 9402833 ASSDDNDJOKMJJQ-UHFFFAOYSA-N 421.793 1.983 5 40 HDBB CC(C)NS(=O)(=O)c1ccc(N2CCN(Cc3cccnc3)CC2)c([N+](=O)[O-])c1 12546169 XOWBIWMFNDCNTI-UHFFFAOYSA-N 419.507 1.999 5 40 HDBB COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)C=O)[C@H]1c1cccc([N+](=O)[O-])c1 19314772 MTITWMNOQGJZBI-SFHVURJKSA-N 417.418 1.634 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O 22374813 FUIJSYATCVYDCW-UHFFFAOYSA-N 420.491 1.922 5 40 HDBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cc1NC(C)=O 22990061 VMZJBVPYVCZLSY-UHFFFAOYSA-N 424.435 1.767 5 40 HDBB COc1ncccc1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 31484981 OJGMGFMLHSYHRW-UHFFFAOYSA-N 402.319 1.125 5 40 HDBB C[C@H](Cn1ccnc1)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 32911826 RTLBOSXKQBHUSC-CQSZACIVSA-N 408.484 1.228 5 40 HDBB CSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)s1 225459728 ASPQNANFOAUOTK-UHFFFAOYSA-N 417.494 1.881 5 40 HDBB Cc1ccc(S(=O)(=O)Oc2cc3ncc(-n4cc([N+](=O)[O-])cn4)cn3n2)cc1 3017156 LOTLFPSAXIJZQV-UHFFFAOYSA-N 400.376 1.899 5 40 HDBB O=C(NCCO)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)o1 9168103 WDQWEBBYVLALDT-FMIVXFBMSA-N 424.207 1.830 5 40 HDBB CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 89395866 YENKOMVKRHOKKN-UHFFFAOYSA-N 411.461 1.395 5 40 HDBB COC(=O)[C@]1(C(F)(F)F)N=C(c2cccc([N+](=O)[O-])c2)OC(N2CCOCC2)=N1 1870513 HWOFDGAQJHUZNM-HNNXBMFYSA-N 416.312 1.491 5 40 HDBB Cc1cc(C)n2c(CNC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nnc2n1 12591300 XIURIHKFOUWKSV-UHFFFAOYSA-N 411.422 1.416 5 40 HDBB O=C(CCn1cc([N+](=O)[O-])cn1)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 78877249 IDGOOYUZUGREKW-UHFFFAOYSA-N 419.463 1.555 5 40 HDBB O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 26533394 NYQKIMQDSDIMFJ-KRWDZBQOSA-N 415.446 1.881 5 40 HDBB O=C1NCCN1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 48312394 WOYGQNLXWBXEBL-HNNXBMFYSA-N 423.495 1.373 5 40 HDBB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21)Nc1ccccc1[N+](=O)[O-] 100962768 XGBZEDPPWSTLIU-HOTGVXAUSA-N 412.337 1.666 5 40 HDBB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 9508305 ONWSZRGZAJGXBF-UHFFFAOYSA-N 409.420 1.871 5 40 HDBB CCOC(=O)N1CCC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 21970652 LRZNPQJOIFEWCQ-UHFFFAOYSA-N 406.395 1.057 5 40 HDBB COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)c1=N 100912476 YDZYLRDYDBMZNH-UHFFFAOYSA-N 421.457 1.845 5 40 HDBB C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408657429 KCCCZOPOOBRPET-PRNVEUERSA-N 413.386 1.272 5 40 HDBB O=C(CN1C(=O)N/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 408962830 JVMVLRDTXQNQRB-QPEQYQDCSA-N 400.322 1.971 5 40 HDBB CCN(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 9352409 IIIFMWHKJGPPDI-ZDUSSCGKSA-N 416.477 1.266 5 40 HDBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 2343238 JQSYCRFQGGCESX-UHFFFAOYSA-N 420.403 1.650 5 40 HDBB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 2622112 DEXYGZKXLPKUDD-UHFFFAOYSA-N 411.367 1.438 5 40 HDBB NS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 57293353 VGLIZBSTKGAFPF-UHFFFAOYSA-N 419.463 1.003 5 40 HDBB CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 3040520 JSCRYBWZAFNSLA-SJORKVTESA-N 408.432 1.847 5 40 HDBB O=C(NCCn1ncc2c(=O)n(Cc3ccc([N+](=O)[O-])cc3)cnc21)C1CCCC1 12071944 HISPGNJPXKBYRK-UHFFFAOYSA-N 410.434 1.856 5 40 HDBB O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 28506967 KWRAAMDEQBSJLC-INIZCTEOSA-N 404.467 1.884 5 40 HDBB CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@H](C)[C@H]32)C1=O 102770888 UCPQMLNEVWWEOG-YINZYUKRSA-N 416.434 1.606 5 40 HDBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O 409229809 VHBOPGOVKPSEBJ-NTEUORMPSA-N 412.358 1.840 5 40 HDBB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)C1 32081705 FXCNWCIJTSOZKP-SNVBAGLBSA-N 423.378 1.972 5 40 HDBB O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc(Br)c[nH]1 58139065 HKPWMGMPNJYRJC-UHFFFAOYSA-N 417.241 1.394 5 40 HDBB CC(C)CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 3347315 XVAVQEMCYSMREY-MRXNPFEDSA-N 411.480 1.386 5 40 HDBB O=c1cc(CN2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)nc2ccccn12 12912630 OLIBYUIJEUNGSC-UHFFFAOYSA-N 419.445 1.728 5 40 HDBB COc1ccc(NC(=O)COC(=O)C[S@@](=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 48341425 OQNOZPTVGZBACS-LJAQVGFWSA-N 422.415 1.902 5 40 HDBB CCOC(=O)[C@@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 106213599 XZZYHXVFWLICKF-MJVIPROJSA-N 407.301 1.427 5 40 HDBB COc1cc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c([N+](=O)[O-])cc1OC 9442841 DBOKJCOICYABOA-UHFFFAOYSA-N 416.346 1.577 5 40 HDBB O=C(NCCc1ccccn1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12536832 UHCOSKNDYOYASC-SFHVURJKSA-N 418.475 1.892 5 40 HDBB Cc1cc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c([N+](=O)[O-])c(=O)[nH]1 13878773 UUCBYIAWDQWSDK-UHFFFAOYSA-N 407.404 1.595 5 40 HDBB COc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 32895551 HRTXEKTYAILTGN-KRWDZBQOSA-N 421.475 1.955 5 40 HDBB COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccncc2)c1=N 100851344 GPFHCYCKPFLKCW-UHFFFAOYSA-N 418.457 1.338 5 40 HDBB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(N)=O)c1cccc([N+](=O)[O-])c1 222365364 CYIUVEMYFWEKRM-UHFFFAOYSA-N 420.447 1.879 5 40 HDBB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)cc1[N+](=O)[O-] 19961242 AWHHGKJENKKUOY-LBPRGKRZSA-N 412.406 1.651 5 40 HDBB C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nnc2n1CCC2 95348784 UQBJMYKPANSOHU-LBPRGKRZSA-N 422.467 1.327 5 40 HDBB CCCNc1nc2nc3ccccn3c(=O)c2cc1C(=O)NCCN1CCOCC1 4520301 ATPPBLPRHKBZBL-UHFFFAOYSA-N 410.478 1.127 5 40 HDBB O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O)N1CCCC1 205911557 HCTWWCANXGFJOM-WUXMJOGZSA-N 422.375 1.867 5 40 HDBB O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 858094 IANBDZPKJSKICM-DOTOQJQBSA-N 414.370 1.955 5 40 HDBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCO 2150439 RHYKTIDFCSCRPA-RXVVDRJESA-N 420.425 1.753 5 40 HDBB biogenic CSc1n[nH]c(-n2ccc3nc4ccn(CCCN(C)C)c(=O)c4cc3c2=O)n1 40398874 VRDHJQRGNWDCJA-UHFFFAOYSA-N 411.491 1.492 5 40 HDBB CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 225247175 GIIBZJNFGQHPHB-OAHLLOKOSA-N 421.431 1.317 5 40 HDBB CCn1c(SCC(N)=O)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409134932 OQLJLUKHEHDYSY-CQSZACIVSA-N 406.468 1.911 5 40 HDBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 6510168 XUGDRCKIZQTIOI-UHFFFAOYSA-N 404.448 1.513 5 40 HDBB CS(=O)(=O)c1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)cc1 11550801 OIGZLYXIHXSXLV-UHFFFAOYSA-N 408.436 1.453 5 40 HDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)c1C 12783911 CUVBQVRFKVNEFG-UHFFFAOYSA-N 406.464 1.922 5 40 HDBB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 24772311 UWUIRCYHUHNTQI-VXGBXAGGSA-N 409.464 1.834 5 40 HDBB COC(=O)CNC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[S@@](=O)Cc1ccccc1 8856060 WQLJEPCRHZSYFJ-GDLZYMKVSA-N 421.387 1.714 5 40 HDBB CC(C)CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 9440167 VJWQNXLITSMWHP-LLVKDONJSA-N 404.466 1.485 5 40 HDBB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1C[C@H]1CCCO1 27053570 WFFQYLLDIYOOGQ-CQSZACIVSA-N 402.407 1.336 5 40 HDBB O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC(N2CCn3ccnc3C2)CC1 89780859 LIKHFLJDOQFSNQ-UHFFFAOYSA-N 422.449 1.492 5 40 HDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 102084977 IGEOAADQSZCGKZ-SCMJLYPYSA-N 410.382 1.374 5 40 HDBB CCOC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3cccc(C)c3)C(=O)[C@H]12 16682648 YMBFBDYKMJKHOI-HRAATJIYSA-N 422.397 1.810 5 40 HDBB CCCS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 65566096 LNGOKYJWQFAIMS-CYBMUJFWSA-N 407.452 1.324 5 40 HDBB C[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])Cn1cccn1 36393992 JCSMDNRJBNOFEW-AWEZNQCLSA-N 409.468 1.560 5 40 HDBB CCN(CC)Cc1nc(C2(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)CCCC2)no1 78720175 RLVGCLCJGNTKTH-UHFFFAOYSA-N 418.454 1.567 5 40 HDBB CC(C)CN(C(=O)c1cccc([N+](=O)[O-])c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 6507372 YWEKHXIIDRAETB-UHFFFAOYSA-N 403.439 1.986 5 40 HDBB COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C)c2=N)cc1 101155690 KBAXCOIARPRLIL-UHFFFAOYSA-N 417.469 1.955 5 40 HDBB O=C(COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1)NC[C@H]1CCCO1 408607490 SPJJGXACIHDUDB-LHRNQBEKSA-N 416.390 1.640 5 40 HDBB O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1cccc([N+](=O)[O-])c1 19991037 PFFXMOKABBEAAE-NRFANRHFSA-N 411.414 1.692 5 40 HDBB Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccccc3[N+](=O)[O-])cc21 408530716 JMAVIKLBPLLHSS-UHFFFAOYSA-N 411.418 1.874 5 40 HDBB CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(Sc3nncn3C)c2)CC1 9971878 QQAXFAIMOJQIRQ-UHFFFAOYSA-N 412.497 1.346 5 40 HDBB C[C@@H](Cn1ccnc1)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 32911825 RTLBOSXKQBHUSC-AWEZNQCLSA-N 408.484 1.228 5 40 HDBB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c([N+](=O)[O-])c1 102768613 FYCVBUQHXKODIT-BETUJISGSA-N 417.374 1.036 5 40 HDBB CN(C)S(=O)(=O)c1cccc(NC(=S)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 9539574 JYNYDDIKSUWQSV-INIZCTEOSA-N 424.504 1.865 5 40 HDBB Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCc2ccc(Br)o2)n1 12446654 BOGBZGUSPSOLDY-UHFFFAOYSA-N 411.172 1.817 5 40 HDBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(N)=O)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O 101343796 AEDRUXHQYQPUDY-MKXGPGLRSA-N 418.409 1.904 5 40 HDBB Cn1cnc([N+](=O)[O-])c1N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 9467579 QCAZIERSGLXMSC-UHFFFAOYSA-N 415.841 1.854 5 40 HDBB NC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)COc2ccc(-c3ccccc3)cc2)c1=O 12768512 BRBPCHHNODWEMC-KRWDZBQOSA-N 409.398 1.962 5 40 HDBB CC(C)CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 13132108 VJWQNXLITSMWHP-NSHDSACASA-N 404.466 1.485 5 40 HDBB CCOC(=O)C(C(=O)OCC)[C@@H](C[N+](=O)[O-])c1cc2c(c(OC)c1OC)OCO2 66091339 VTGCMYUZRLWSEB-NSHDSACASA-N 413.379 1.535 5 40 HDBB COC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1 79071403 MDQOTVZHXPMYCN-UHFFFAOYSA-N 410.180 1.944 5 40 HDBB CCCn1nnc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)n1 32118961 UBBSFENYIOEXEW-UHFFFAOYSA-N 414.245 1.881 5 40 HDBB COc1ccc(NC(=O)COC(=O)C[S@](=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 48341426 OQNOZPTVGZBACS-GDLZYMKVSA-N 422.415 1.902 5 40 HDBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23134804 ZDGGMUHOQZJSKI-UHFFFAOYSA-N 419.348 1.400 5 40 HDBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1nc(N2CCOCC2)ncc1Cl 40123134 ROINKIAOUOMQBY-UHFFFAOYSA-N 406.830 1.717 5 40 HDBB COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 3235390 PXUDZGKHHCZKDB-UHFFFAOYSA-N 411.392 1.470 5 40 HDBB O=[N+]([O-])c1ccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 26781537 ZXYGAULAYUVPAM-GOSISDBHSA-N 415.446 1.881 5 40 HDBB C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101146067 IJTIAMMDASPHNP-OELWXQPESA-N 400.387 1.740 5 40 HDBB O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c1 533140263 PFLUWCSUUOYMRS-BZUAXINKSA-N 400.357 1.979 5 40 HDBB Cc1cccn2c(=O)cc(CN3C(=O)N[C@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)nc12 12943301 QOJXXOJYPNQZMK-HXUWFJFHSA-N 407.386 1.878 5 40 HDBB CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccccc1[N+](=O)[O-] 36790676 FIHUPQQFJGJYFY-ZFWWWQNUSA-N 406.439 1.885 5 40 HDBB Cc1c(CCO)c(=O)n(-c2ccccc2)n1S(=O)(=O)c1ccccc1[N+](=O)[O-] 1393697 SVXAZBUUVRGLDF-UHFFFAOYSA-N 403.416 1.627 5 40 HDBB Cn1cc(NC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)c(C(=O)NCc2ccco2)n1 2732331 JXWGUNYIWLPOQY-UHFFFAOYSA-N 421.801 1.730 5 40 HDBB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6831398 HRKKULHMYXCDPA-UHFFFAOYSA-N 411.370 1.842 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20040007 JZUFFESFJLRKCD-MRXNPFEDSA-N 407.404 1.769 5 40 HDBB CCOc1ccc(NC(=O)C[C@@H](NCCCN2CCOCC2)C(=O)O)c([N+](=O)[O-])c1 22997096 MAVJQEPYOIDNOM-MRXNPFEDSA-N 424.454 1.087 5 40 HDBB O=c1c2cnn(-c3ccccc3)c2ncn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 24832094 DYCPCJOVWPIFGJ-MRXNPFEDSA-N 407.386 1.930 5 40 HDBB O=C(NC(=S)Nc1ncccc1O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17082638 NXPYHYYXRRFCPS-UHFFFAOYSA-N 403.420 1.659 5 40 HDBB CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccccc1[N+](=O)[O-] 36790678 FIHUPQQFJGJYFY-DZGCQCFKSA-N 406.439 1.885 5 40 HDBB Cc1ccc2c(c1)c(=O)n(C)c1nnc(Cn3cc([N+](=O)[O-])cc(Cl)c3=O)n21 78824044 WATPHXABDOCSHX-UHFFFAOYSA-N 400.782 1.661 5 40 HDBB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 5388564 LUEVAJCHQNPJLC-UHFFFAOYSA-N 404.448 1.929 5 40 HDBB COc1ccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])cc1 20358563 FCEQTTAQXASVJZ-UHFFFAOYSA-N 403.443 1.853 5 40 HDBB CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1[N+](=O)[O-] 36790672 FIHUPQQFJGJYFY-HIFRSBDPSA-N 406.439 1.885 5 40 HDBB Cc1nn(CC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)c(C)c1[N+](=O)[O-] 84013815 PLKPNLQTGKCDCV-OAHLLOKOSA-N 408.411 1.891 5 40 HDBB CSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 225454208 RKPFMUPFISAMIN-UHFFFAOYSA-N 403.467 1.573 5 40 HDBB COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 108167643 VPSOCCVHFDBPKS-FPYGCLRLSA-N 400.141 1.129 5 40 HDBB Cn1c(=O)cc(C(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccccc21 604403920 DOALCXLUTCWFFQ-KBPBESRZSA-N 420.425 1.868 5 40 HDBB biogenic O=C(O)C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] 3358831 URTAQPFZNFNGDH-ZDUSSCGKSA-N 408.388 1.860 5 40 HDBB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 9243172 YGFJKHWZAUJYFA-CQSZACIVSA-N 414.422 1.055 5 40 HDBB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(O)c([N+](=O)[O-])c1 96012018 KAVKDCHTYNYISD-UHFFFAOYSA-N 408.388 1.874 5 40 HDBB N=c1c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc2n1CCCO 100630574 SVXBLPSMQOFNOW-UHFFFAOYSA-N 417.469 1.484 5 40 HDBB O=C(O)C1CCN(S(=O)(=O)c2ccc(N3CCC(O)CC3)c([N+](=O)[O-])c2)CC1 8855470 KVKJUWMFNYRDPE-UHFFFAOYSA-N 413.452 1.041 5 40 HDBB O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccccc1C(F)(F)F 40115891 CUUNWIMZQAIKKJ-BXUZGUMPSA-N 400.357 1.453 5 40 HDBB CC1=NN(C(=O)c2ccn(Cn3nc(C)c([N+](=O)[O-])c3C)n2)[C@](O)(C(F)(F)F)C1 17090237 LJJHBJLZSIOGJR-CQSZACIVSA-N 415.332 1.583 5 40 HDBB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 408656009 FCIAPXLOVDWPCW-YDOWWZDFSA-N 415.402 1.498 5 40 HDBB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 2273138 AJFAUNCMDRJDAX-UHFFFAOYSA-N 405.432 1.750 5 40 HDBB O=C(Cc1ccc(F)cc1)N1CCN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)CC1 29624788 QCMVUPASPMZFOF-UHFFFAOYSA-N 400.414 1.990 5 40 HDBB O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1cccc(F)c1 36386017 ZAYGOIABIPJJAS-UHFFFAOYSA-N 422.438 1.679 5 40 HDBB O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 921345 FTLHEDIZQVDTMY-UHFFFAOYSA-N 414.383 1.839 5 40 HDBB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] 24511954 NJWOWWMSZKLHEZ-UHFFFAOYSA-N 404.448 1.846 5 40 HDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(C)=O 101176990 JBYMTZHPNZIZJG-RPIBDXEDSA-N 410.430 1.452 5 40 HDBB Cn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(-c4ccc([N+](=O)[O-])cc4)cn23)n(C)c1=O 9160218 YYRLXQUWGHHTGD-CQSZACIVSA-N 424.417 1.441 5 40 HDBB CCCCn1nn/c(=N\C(=O)c2ccc([N+](=O)[O-])o2)n1C(=O)c1ccc([N+](=O)[O-])o1 95482098 JJMOPNPLCBRNSM-FOCLMDBBSA-N 419.310 1.312 5 40 HDBB COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 408549314 SGUXIMOVTOXCET-MDWZMJQESA-N 401.331 1.929 5 40 HDBB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 5720547 OVKUTUIXIMOZKV-UHFFFAOYSA-N 404.448 1.929 5 40 HDBB Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c([N+](=O)[O-])n1 9466573 KWBWRQOMKYSRJY-UHFFFAOYSA-N 408.436 1.874 5 40 HDBB CC[C@@H](C)N(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 12521863 XKFPCXVKYYOTOW-DGCLKSJQSA-N 413.452 1.148 5 40 HDBB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H]3c3ncc[nH]3)c([N+](=O)[O-])c2)CC1 95467589 KLHYDJRQJVLUNV-INIZCTEOSA-N 420.495 1.596 5 40 HDBB COC[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 408613748 XTVGUIPBBHZORL-CQSZACIVSA-N 407.448 1.941 5 40 HDBB CCOP(=O)(OCC)[C@@H](C(=O)OC)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 8659612 FFYMTZRIQKPLPP-CYBMUJFWSA-N 402.296 1.910 5 40 HDBB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 16188390 OSDBYJFDPOMTRO-UHFFFAOYSA-N 409.420 1.871 5 40 HDBB C[C@H](C(=O)OCC(=O)c1ccc([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 102082918 MZVAJECEFMUBTO-KHCPICOLSA-N 424.409 1.762 5 40 HDBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N(C)C 3280437 VUXPOMZWANWSBP-ZDUSSCGKSA-N 417.871 1.731 5 40 HDBB Cc1cccn2c(=O)c3cc(C(=O)NCCN4CCOCC4)c(=N)n(C(C)C)c3nc12 794703 GQOSQENPEBOJNW-UHFFFAOYSA-N 424.505 1.080 5 40 HDBB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 5720549 FMFPKXQNVPWQEO-UHFFFAOYSA-N 404.448 1.929 5 40 HDBB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2ncnc3c2cnn3C)CC1 12928578 PBBNXSZLHAQSTI-ZDUSSCGKSA-N 410.438 1.421 5 40 HDBB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 102128785 ULWPKNYLYRLMPX-HZPDHXFCSA-N 416.386 1.846 5 40 HDBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N[C@H]1CCS(=O)(=O)C1 9647927 DJUZRROCAYWQHK-LBPRGKRZSA-N 408.388 1.315 5 40 HDBB C[C@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 12659713 HPKKNWRCPQYJSR-LZWOXQAQSA-N 411.480 1.774 5 40 HDBB NS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 78809037 VVFOAULNWFCHNV-UHFFFAOYSA-N 413.437 1.539 5 40 HDBB CCOC(=O)c1ccnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)c1[N+](=O)[O-] 79063548 HJWISYJLWDBOIN-UHFFFAOYSA-N 400.391 1.835 5 40 HDBB CCCCN(CCO)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 84744404 PLMNLTJNWMNPGD-UHFFFAOYSA-N 400.501 1.130 5 40 HDBB Cc1nn(CC(=O)NCCN2CCN(C)C[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] 106057842 IOMIWMQQQKPNCM-SFHVURJKSA-N 400.483 1.513 5 40 HDBB O=C(COC(=O)c1ccc([N+](=O)[O-])s1)NC(=O)Nc1ccc2c(c1)OCCO2 3496304 MMDNSVKBHGKKSF-UHFFFAOYSA-N 407.360 1.933 5 40 HDBB CCOC(=O)C1=NO[C@@H](CNC(=O)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 4040935 KJQUAJVRBBLVNR-MRXNPFEDSA-N 404.423 1.635 5 40 HDBB CCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 6386243 QQRLHJKJFLLJCP-UHFFFAOYSA-N 407.496 1.365 5 40 HDBB CNC(=O)[C@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]21 12321733 NXABFLSYFZDXQI-NQIIRXRSSA-N 410.430 1.663 5 40 HDBB CC(C)OC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccccc1[N+](=O)[O-] 12401617 PZSOXNOGNYAAIA-AWEZNQCLSA-N 402.359 1.687 5 40 HDBB biogenic,in-vitro O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)NC(=O)[C@@H]1COc2ccccc2O1 3311284 FZIBULPIWZMOTR-HNNXBMFYSA-N 420.761 1.888 5 40 HDBB CNc1ccc(S(=O)(=O)NCC(=O)NCCCc2ccccc2)cc1[N+](=O)[O-] 15934674 NVNAZCGURYMNJM-UHFFFAOYSA-N 406.464 1.664 5 40 HDBB CCN(C(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCS(=O)(=O)C1 12985835 KUPOZSYLUWTOTK-JQWIXIFHSA-N 418.855 1.829 5 40 HDBB O=C1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 20800111 OGOUVTDSLUUFAC-ZDUSSCGKSA-N 412.406 1.733 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CNC(=O)c1cccc(C)c1 7735342 RNHCDIFXWXQUQY-UHFFFAOYSA-N 401.375 1.824 5 40 HDBB C[C@@H](OC(=O)Cn1nc(O)c2ccccc2c1=O)C(=O)Nc1ccccc1[N+](=O)[O-] 9032649 WCVVULPWRAGUAW-LLVKDONJSA-N 412.358 1.581 5 40 HDBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCO 16031401 RHYKTIDFCSCRPA-WIYYLYMNSA-N 420.425 1.753 5 40 HDBB biogenic CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286311 MEEINSPAACUKNK-KRWDZBQOSA-N 403.439 1.013 5 40 HDBB CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222525942 WNIJYUGRIRSJBI-INIZCTEOSA-N 420.447 1.877 5 40 HDBB CC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 15674827 ZHCZJHGKRLBEGB-SJORKVTESA-N 401.423 1.763 5 40 HDBB biogenic,in-vitro CC1=NN(C(=O)c2ccn(Cn3nc(C)c([N+](=O)[O-])c3C)n2)[C@@](O)(C(F)(F)F)C1 17090236 LJJHBJLZSIOGJR-AWEZNQCLSA-N 415.332 1.583 5 40 HDBB O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 40114884 WOVIPYPBDPCDHD-QWHCGFSZSA-N 407.370 1.204 5 40 HDBB C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101858864 NHMQUGWTJOIDLJ-WBAXXEDZSA-N 412.446 1.583 5 40 HDBB NC(=O)c1nc(-c2ccccc2[N+](=O)[O-])nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 9739439 UQDDBRAOGXBDMS-UHFFFAOYSA-N 420.341 1.512 5 40 HDBB CC(C)CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 12989748 PXDNMZDIVLXUED-CQSZACIVSA-N 407.452 1.461 5 40 HDBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 104497022 HQTBMWNSTCRTFD-DOTOQJQBSA-N 423.341 1.826 5 40 HDBB O=C1N[C@H](c2ccc([N+](=O)[O-])o2)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 5447303 OQYIMGREVYXFEF-JTNHKYCSSA-N 400.269 1.687 5 40 HDBB CC(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)nc2c1c(=O)n(C)c(=O)n2C 9517614 ACLFITPPDQFRNG-UHFFFAOYSA-N 401.404 1.284 5 40 HDBB CCOc1nn(CCCNS(=O)(=O)c2c(C)nn(CC)c2C)cc1[N+](=O)[O-] 36614673 JPBCLAFHQSSOAT-UHFFFAOYSA-N 400.461 1.392 5 40 HDBB CNc1ccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1[N+](=O)[O-] 28324440 QHXZAQQSACMKKO-UHFFFAOYSA-N 403.483 1.797 5 40 HDBB CCc1ccccc1NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1916950 MNCYZUZWFFDJDF-UHFFFAOYSA-N 411.370 1.935 5 40 HDBB Cc1cc(C(=O)NCCCNC2=NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 3583341 AHTNHILGZALVLP-UHFFFAOYSA-N 402.432 1.762 5 40 HDBB CC(C)[C@@H]1N(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 12867553 KFGSDEOGFUETDF-MRXNPFEDSA-N 412.468 1.335 5 40 HDBB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccc([N+](=O)[O-])c1 10543710 OTPHMJNNMNLVRS-UHFFFAOYSA-N 411.461 1.597 5 40 HDBB O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 10384256 BRXCUWCQGATEDP-MRXNPFEDSA-N 400.366 1.703 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@]2(CCO)CCOC2)ccc1Br 95443873 LHMFCJUKRGLXLY-CYBMUJFWSA-N 409.258 1.425 5 40 HDBB C=CC(=O)N(C)CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1618426921 WPGHNMABZVSTGR-UHFFFAOYSA-N 400.357 1.907 5 40 HDBB C[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N1CCOCC1 9053525 NUZPUPBROXSQCW-ZDUSSCGKSA-N 413.452 1.005 5 40 HDBB O=C(CN1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccccc1C(F)(F)F 40115893 CUUNWIMZQAIKKJ-SMDDNHRTSA-N 400.357 1.453 5 40 HDBB O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 48310980 CXSLTDJMBVNDJG-INIZCTEOSA-N 416.482 1.566 5 40 HDBB COc1cc(C[C@]2(c3cccc([N+](=O)[O-])c3)NC(N)=NC2=O)cc(OC)c1OC 71974743 WMIFVJOKPVJMKF-LJQANCHMSA-N 400.391 1.503 5 40 HDBB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COCC(=O)Nc1ccc([N+](=O)[O-])cc1 4721892 ZNPVDXMXQFEVPJ-QGZVFWFLSA-N 415.402 1.450 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 32818924 SWURQZKPEXKOCW-QGZVFWFLSA-N 404.404 1.759 5 40 HDBB CNc1ccc(/C=c2/s/c(=C\C(=O)Nc3ccc(C)cc3)[nH]c2=O)cc1[N+](=O)[O-] 105625665 LWFMSBWIJGFKLT-VAAIZWELSA-N 410.455 1.943 5 40 HDBB Cc1nn(C)c(C(=O)Nn2cnc3ccc([N+](=O)[O-])cc3c2=N)c1Br 2808584 FAZDLFRSGQEXNM-UHFFFAOYSA-N 406.200 1.612 5 40 HDBB Cn1cnnc1SCc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)co1 10220370 XVZZINCWCFKFMI-UHFFFAOYSA-N 417.403 1.986 5 40 HDBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12558783 ARPCXKKKJMZFAH-UHFFFAOYSA-N 421.431 1.877 5 40 HDBB COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 12950475 CFZVXGZWPNXCRC-GFCCVEGCSA-N 408.750 1.561 5 40 HDBB COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225025913 PWQWGUSWWFBLSO-UHFFFAOYSA-N 408.388 1.750 5 40 HDBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NC[C@H]1CCCO1 881577 UGSBMYIHSMCNKB-CQSZACIVSA-N 407.452 1.690 5 40 HDBB O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)OCc1ccccc1[N+](=O)[O-] 6227060 WIBLCOBYDDKPBZ-UHFFFAOYSA-N 405.794 1.838 5 40 HDBB C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 34858951 QERAHHFFANCXIY-AWEZNQCLSA-N 410.496 1.348 5 40 HDBB COc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC 20493011 UZTIVQQKDCHHNL-UHFFFAOYSA-N 423.447 1.694 5 40 HDBB O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 26781539 ZXYGAULAYUVPAM-SFHVURJKSA-N 415.446 1.881 5 40 HDBB Cc1cc(C)n(C[C@@H]2CN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CCO2)n1 95455280 FKEMKLWJSPPAJZ-LBPRGKRZSA-N 400.482 1.779 5 40 HDBB Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 17090603 JEQPPGQFQJICOC-UHFFFAOYSA-N 416.463 1.965 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(F)cc1)S(C)(=O)=O 19931691 SJUNLLMOIZLCIX-UHFFFAOYSA-N 411.411 1.825 5 40 HDBB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 408975057 JHJDZSXFBBIKDU-KNPMLCFXSA-N 409.192 1.553 5 40 HDBB CCOc1ccc(Nc2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])cc1 20289248 BKGLVALCZTZKJR-UHFFFAOYSA-N 403.443 1.853 5 40 HDBB CCOC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 100942635 ONOCLMMMYKKURJ-WBVHZDCISA-N 408.370 1.892 5 40 HDBB CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C1=O 409239383 NBBRGQLCRGOBEJ-RUDMXATFSA-N 403.132 1.818 5 40 HDBB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 165705674 FCIAPXLOVDWPCW-BMEPFDOTSA-N 415.402 1.498 5 40 HDBB Cc1cccc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 5228090 LMNNFIIXVYMASA-AWEZNQCLSA-N 412.464 1.732 5 40 HDBB COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1[N+](=O)[O-] 8022712 BEKBNWJLGASLMJ-CQSZACIVSA-N 409.464 1.793 5 40 HDBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCOCC1 9356147 BTVRYSHWOROBJY-UHFFFAOYSA-N 421.431 1.877 5 40 HDBB O=C(NCc1cccnc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12555626 JSZDDERTTVZUOY-UHFFFAOYSA-N 405.436 1.206 5 40 HDBB Cc1nn(CCC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c(C)c1[N+](=O)[O-] 58251188 SSBKOJXREOEBBA-UHFFFAOYSA-N 414.510 1.862 5 40 HDBB C[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)N1C(=O)c2ccccc2C1=O 3480300 KUYRPWRGULHJJF-SNVBAGLBSA-N 415.333 1.900 5 40 HDBB COC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OC 16713005 DERPYVWALNEHPB-SCVCMEIPSA-N 410.429 1.913 5 40 HDBB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 102076196 CAXHIPWGGNPINC-DIZUZXFTSA-N 424.409 1.764 5 40 HDBB NC1=N[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N(c2cccc(Cl)c2)C(N)=N1 1575681 XJIQRJBLABYEAI-CQSZACIVSA-N 401.814 1.454 5 40 HDBB Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1[N+](=O)[O-] 3309914 CNKWJRNKXOGXEX-UHFFFAOYSA-N 407.452 1.831 5 40 HDBB C[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4157462 IJTIAMMDASPHNP-SYCOBUBCSA-N 400.387 1.740 5 40 HDBB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1 9713865 MZCKPDOSUKQMFN-UHFFFAOYSA-N 407.404 1.641 5 40 HDBB COC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 13632409 CAUKKZYDWNENLY-UHFFFAOYSA-N 407.404 1.786 5 40 HDBB O=c1ccc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3NCCO)ccc2o1 26540616 FCPXGLOZBYAADR-UHFFFAOYSA-N 405.388 1.906 5 40 HDBB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 84350410 LMXKAFKSFFQGQO-TXEJJXNPSA-N 407.354 1.391 5 40 HDBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)N[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 102638818 RRPBDMOQEUVBAR-ZQIUZPCESA-N 424.548 1.964 5 40 HDBB CCOC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 100942638 ONOCLMMMYKKURJ-DOTOQJQBSA-N 408.370 1.892 5 40 HDBB C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=S)N(C)C3=O)[C@@H]2C1 6669701 KLLYTEPSLGRWKC-ABAIWWIYSA-N 402.476 1.958 5 40 HDBB O=[N+]([O-])c1c(NCc2ccccc2S(=O)(=O)N2CCOCC2)nc2sccn12 22317351 GSZQJLOUBUKHTR-UHFFFAOYSA-N 423.476 1.937 5 40 HDBB O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 28506965 KWRAAMDEQBSJLC-MRXNPFEDSA-N 404.467 1.884 5 40 HDBB CS(=O)(=O)c1ccc(NCCNC(=O)Cc2cn3ccsc3n2)c([N+](=O)[O-])c1 9931426 LUQALLJXKNNTQH-UHFFFAOYSA-N 423.476 1.478 5 40 HDBB COc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc(OC)c1 20892465 IKKBXIYSDBQKLH-UHFFFAOYSA-N 419.390 1.812 5 40 HDBB Cc1cc(C(=O)N2CC[C@]3(COCc4cnc(NC5CC5)nc43)C2)ncc1[N+](=O)[O-] 503780343 STAZUABOROKNAD-HXUWFJFHSA-N 410.434 1.977 5 40 HDBB O=C(/C=C/c1ccccc1[N+](=O)[O-])OCCN1C(=O)c2ccccc2S1(=O)=O 9548704 ZQWGCAUHFMQQSQ-MDZDMXLPSA-N 402.384 1.996 5 40 HDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1C[C@H](C)O[C@H](C)C1 79108121 IVHWTRSLTOORCJ-OKILXGFUSA-N 401.485 1.771 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16042259 SLKXOQKYDNXEGO-USJXCCPESA-N 406.398 1.848 5 40 HDBB biogenic Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(CS(N)(=O)=O)c2)c1F 79066470 VPJNPCRDENLYIH-UHFFFAOYSA-N 403.413 1.632 5 40 HDBB CCNc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 9631234 IZKMUTFJDLQCJQ-UHFFFAOYSA-N 422.419 1.470 5 40 HDBB CCn1c(=O)c2ccccc2n2c(CNc3cc([N+](=O)[O-])ccc3NCCO)nnc12 23057901 NPPFVTCRZIIQGH-UHFFFAOYSA-N 423.433 1.989 5 40 HDBB CCN(Cc1ccc(OC)c(F)c1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 27054415 PHRJADFESYIZIW-UHFFFAOYSA-N 406.370 1.052 5 40 HDBB CC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 78902642 XSHQZNREENJRAN-UHFFFAOYSA-N 400.438 1.477 5 40 HDBB Cn1c(=O)c2c(nc3n(C[C@@H]4CCCO4)c(-c4ccc([N+](=O)[O-])cc4)cn23)n(C)c1=O 9159354 YYRLXQUWGHHTGD-AWEZNQCLSA-N 424.417 1.441 5 40 HDBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 9884431 GMOCVYQWVRLATJ-UHFFFAOYSA-N 408.436 1.426 5 40 HDBB COCCCNC(=O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 57355174 MTRQUJFYSGZLCT-UHFFFAOYSA-N 404.389 1.888 5 40 HDBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 6580633 YWEUWNWWOCKLGD-FQEVSTJZSA-N 410.386 1.935 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 19159395 VFYYSVGPQHVRJU-UHFFFAOYSA-N 421.431 1.877 5 40 HDBB Cc1cn2nc(N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)sc2n1 26691994 GHEJQAHCCOGPNA-UHFFFAOYSA-N 408.465 1.518 5 40 HDBB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 3307301 HFPIWLYDAHMHPB-LLVKDONJSA-N 424.460 1.187 5 40 HDBB N=c1c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CCO 101105489 TYLUESSELPMAAV-UHFFFAOYSA-N 414.418 1.093 5 40 HDBB Cc1ccccc1OCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223775279 YCAYNAMJJWIJNA-UHFFFAOYSA-N 407.448 1.864 5 40 HDBB Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] 9510137 FZBMQCKRCHGHKW-UHFFFAOYSA-N 416.346 1.723 5 40 HDBB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 9924405 YMDWOZGKAPWPFF-LBPRGKRZSA-N 407.423 1.984 5 40 HDBB CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1 19020098 MXFHSNLXGIIXNP-SFHVURJKSA-N 411.462 1.822 5 40 HDBB COC(=O)c1cc([N+](=O)[O-])ccc1NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 40091240 PGUSTEXBWJHKCG-TXEJJXNPSA-N 401.441 1.232 5 40 HDBB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n21 40114136 ASHYWSOFDRSPAL-UHFFFAOYSA-N 418.369 1.594 5 40 HDBB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])c1 9509278 XKGYSSRPVXRTSW-UHFFFAOYSA-N 411.367 1.438 5 40 HDBB CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NC)[C@@H]1CCS(=O)(=O)C1 12554167 IESINVODAIYFLS-DGCLKSJQSA-N 413.452 1.217 5 40 HDBB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 15629646 CQYBBVBKXZNAPN-UHFFFAOYSA-N 422.463 1.734 5 40 HDBB COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 57995366 GGKLQQLCTKNHRG-UHFFFAOYSA-N 419.459 1.888 5 40 HDBB COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 28827702 FDPISMFWJSTROM-UHFFFAOYSA-N 401.375 1.824 5 40 HDBB CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cn1 89978086 BSUNPFAFOQAZJJ-UHFFFAOYSA-N 412.424 1.899 5 40 HDBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1[N+](=O)[O-] 3247097 MULDZGVCMMEEHW-UHFFFAOYSA-N 417.403 1.941 5 40 HDBB CNS(=O)(=O)c1ccc(N2CCN(c3cccc(OC)c3)CC2)c([N+](=O)[O-])c1 8050373 WZRFQRCTSDWERI-UHFFFAOYSA-N 406.464 1.838 5 40 HDBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 59014086 IDFOJMTZDXHTCE-UHFFFAOYSA-N 405.432 1.797 5 40 HDBB COc1ccc(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 10336053 LLJNYYHGNKAHDV-UHFFFAOYSA-N 407.448 1.994 5 40 HDBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134584 LIPUGNYOTVEADJ-UHFFFAOYSA-N 401.358 1.261 5 40 HDBB CCOC(=O)C1=NO[C@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@@H]12 4054007 GSYPMPNKZOJCDP-CVEARBPZSA-N 405.407 1.872 5 40 HDBB Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1[N+](=O)[O-] 9119684 XENFKJULRJCXLJ-UHFFFAOYSA-N 407.452 1.831 5 40 HDBB Cc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4cccc([N+](=O)[O-])c4)cnc32)cc1 9412648 IJLAPCCAFKCYEX-UHFFFAOYSA-N 419.401 1.892 5 40 HDBB NC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)COc2cc(Cl)ccc2Cl)c1=O 12766547 MQSREPWPXLQSEP-JTQLQIEISA-N 402.190 1.602 5 40 HDBB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 6560115 DUXVHYUFLSDGQV-UHFFFAOYSA-N 414.349 1.427 5 40 HDBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)N1CCOCC1 106692858 SXWSKHAINAQTQA-NSIKDUERSA-N 421.387 1.219 5 40 HDBB COC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3C)C(=O)[C@@H]12 5549158 GNGNRDLEGYZPHX-QRWLVFNGSA-N 408.370 1.420 5 40 HDBB CC(C)[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 26302146 ANQGZSIKXAJGSI-LJQANCHMSA-N 405.499 1.783 5 40 HDBB CNC(=O)c1ccc(N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 84240640 ZURYVYKZZKVZJO-AWEZNQCLSA-N 407.471 1.600 5 40 HDBB CN1CCN(S(=O)(=O)c2ccc(NCCc3cccc(O)c3)c([N+](=O)[O-])c2)CC1 58008787 GVLVVSHOHYEFJU-UHFFFAOYSA-N 420.491 1.891 5 40 HDBB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 4313842 AUDMXWSEKZUZOP-VXGBXAGGSA-N 403.391 1.524 5 40 HDBB CCCCNC(=O)CN1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 39975985 ALANHLSRPIOFAC-UHFFFAOYSA-N 403.483 1.843 5 40 HDBB CC(C)(C)c1ccc(C(=O)OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1[N+](=O)[O-] 21630101 WJVPZYWJDZZIAE-GOSISDBHSA-N 412.464 1.743 5 40 HDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)CC 103629075 UKNPAIAWJHWOHC-ITCYTGBBSA-N 424.457 1.842 5 40 HDBB O=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2C(=O)N(CCO)CCO 3138251 JICVTTSTPLKWOJ-UHFFFAOYSA-N 401.331 1.141 5 40 HDBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H]1CCOC1=O 6464759 UXKDWXRKAPLQQE-CHWSQXEVSA-N 416.839 1.958 5 40 HDBB Cc1cnc2c(S(=O)(=O)N3CCN(c4c([N+](=O)[O-])ncn4C)CC3)cccc2c1 40083173 LNHPPPIZQVJVJD-UHFFFAOYSA-N 416.463 1.696 5 40 HDBB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 102085003 CAXHIPWGGNPINC-XNCJAFBWSA-N 424.409 1.764 5 40 HDBB Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)c3ccc([N+](=O)[O-])o3)c2=O)c1 9016218 UIQWBSQSIXKGQC-UHFFFAOYSA-N 422.401 1.881 5 40 HDBB Cc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 9056817 AVCWXMLWMICDGF-UHFFFAOYSA-N 404.379 1.845 5 40 HDBB Cc1c(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 78821790 KIWCZOZTIMAKDZ-RWMBFGLXSA-N 412.512 1.647 5 40 HDBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCO 2150437 RHYKTIDFCSCRPA-GHTZIAJQSA-N 420.425 1.753 5 40 HDBB biogenic O=C(CN1CSCC1=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 21336368 SEFMBWKXCKUMNL-UHFFFAOYSA-N 421.456 1.899 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(N)=O)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O 106535916 KEKUGUJXCCMEHX-WNHJNPCNSA-N 418.409 1.778 5 40 HDBB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 40007776 QELLLDNVWBQKGB-UHFFFAOYSA-N 422.445 1.938 5 40 HDBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCO)c2=N)cc1 100863320 HULPSEAMJDHRTM-UHFFFAOYSA-N 424.482 1.571 5 40 HDBB O=[N+]([O-])c1ccc(N2CCc3cc(O)ccc3C2)c(S(=O)(=O)N2CCOCC2)c1 1652336263 DNSKDWOQMZQJPM-UHFFFAOYSA-N 419.459 1.884 5 40 HDBB CC[C@@H](C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)N1CCCC1=O 95939686 GUKVATCXVOCZHK-KRWDZBQOSA-N 414.466 1.911 5 40 HDBB CCNS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NCC)ccc12 645022 BYGLZJALDLYDEK-UHFFFAOYSA-N 410.473 1.543 5 40 HDBB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c([N+](=O)[O-])cc1C 12531705 GJLVFBYNYMDACS-KBPBESRZSA-N 417.418 1.869 5 40 HDBB CC(C)(C)NC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 13984682 UEBSPRZNHUGZTE-UHFFFAOYSA-N 411.890 1.719 5 40 HDBB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c1 40115931 RDJVCTGLMPPRAM-RISCZKNCSA-N 407.404 1.805 5 40 HDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 102076167 IGEOAADQSZCGKZ-CLJXZBEYSA-N 410.382 1.374 5 40 HDBB O=C(NCCNC(=O)c1cccs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 7466408 LDNFQULGICTIQM-UHFFFAOYSA-N 404.448 1.653 5 40 HDBB COC(=O)c1ccc(OCc2nnc3n(C)c(=O)c4ccccc4n23)c([N+](=O)[O-])c1 26270977 CIGPMQAIWDFXMB-UHFFFAOYSA-N 409.358 1.855 5 40 HDBB O=C(CN1C(=O)N/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1F 408961445 CGYKMWCOJUHRQW-QPEQYQDCSA-N 400.322 1.971 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 9982816 NQWWFJROPVUMKQ-UHFFFAOYSA-N 400.351 1.453 5 40 HDBB C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101146058 GKWWSMLMOAPXHH-OELWXQPESA-N 400.387 1.740 5 40 HDBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1 408662147 NALCBFXUBKWWGZ-UHFFFAOYSA-N 413.342 1.381 5 40 HDBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCOCC1 32980145 NZGYEDOQIUSPCC-CQSZACIVSA-N 401.872 1.959 5 40 HDBB CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 78967710 FUCZHLBRTWFBLZ-MRXNPFEDSA-N 421.523 1.867 5 40 HDBB COCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N 100812389 VNKSAWZWZWWLSN-UHFFFAOYSA-N 403.442 1.553 5 40 HDBB COCc1n[nH]c(-n2ccc3nc4ccn(C[C@@H]5CCCO5)c(=O)c4cc3c2=O)n1 40399001 WBKYHNVMYRMVLO-LBPRGKRZSA-N 408.418 1.144 5 40 HDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(NC(=O)c2cccnc2)CC1 48311025 WFJADBDJAXDLGQ-UHFFFAOYSA-N 404.448 1.881 5 40 HDBB NC(=O)Cn1ccc(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1 69458653 YIGJPCANLDIVPY-UHFFFAOYSA-N 422.467 1.585 5 40 HDBB Cn1c(=O)c(Br)c(Br)c(=O)n1-c1ccc([N+](=O)[O-])cc1 704331 ZWIWVNUDQHCIIM-UHFFFAOYSA-N 405.002 1.969 5 40 HDBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] 3308834 CYMVNPXKJKABKG-UHFFFAOYSA-N 413.795 1.842 5 40 HDBB CC[C@@H](C)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCS(=O)(=O)C1 12521861 OWOWWEZUEFNCMU-YPMHNXCESA-N 413.452 1.148 5 40 HDBB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 97569666 BPJNULDJASFUES-HUUCEWRRSA-N 402.359 1.456 5 40 HDBB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] 165687224 UUPUPVLTVRFZNQ-BMEPFDOTSA-N 415.402 1.416 5 40 HDBB O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 40115829 SZEZVBBKKUSWNA-UONOGXRCSA-N 403.826 1.200 5 40 HDBB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 3373456 WHJKAYLECAWDDG-UHFFFAOYSA-N 413.795 1.691 5 40 HDBB COC(=O)C1=NN(c2ccc(OC)cc2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 100982794 IUQYWVDVJJKIQI-DOTOQJQBSA-N 424.369 1.511 5 40 HDBB COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225022961 HJKRAKTVCQRNGV-UHFFFAOYSA-N 408.388 1.750 5 40 HDBB CCN(C(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCS(=O)(=O)C1 12985831 KUPOZSYLUWTOTK-PWSUYJOCSA-N 418.855 1.829 5 40 HDBB CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(CCc1ccccc1)C2=O 8970789 GYFDXKORAFEQOT-NRFANRHFSA-N 408.414 1.895 5 40 HDBB CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(CCc1ccccc1)C2=O 8970792 GYFDXKORAFEQOT-OAQYLSRUSA-N 408.414 1.895 5 40 HDBB CN(C)CCCNS(=O)(=O)c1ccc(-n2nnc3ccccc32)c([N+](=O)[O-])c1 9493752 LQHJLTMAGDCIKT-UHFFFAOYSA-N 404.452 1.559 5 40 HDBB CC(=O)c1cc2c(cc1NC(=O)COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)OCO2 12785369 LAIKMINDLZNWCW-UHFFFAOYSA-N 418.362 1.521 5 40 HDBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 214260307 GLIMHUHLMVCERO-NTEUORMPSA-N 407.404 1.499 5 40 HDBB O=C(c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)N1CCOCC1 12560802 XTSYYRIPXFJJDL-UHFFFAOYSA-N 407.404 1.574 5 40 HDBB CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 3040522 JSCRYBWZAFNSLA-IRXDYDNUSA-N 408.432 1.847 5 40 HDBB C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)Nc1ccc(C(N)=O)cc1 23264301 MDAQUECEDGDKHK-JTQLQIEISA-N 415.358 1.649 5 40 HDBB COC[C@H](O)CN1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 95445001 SHOVKGPZEXLRCU-QGZVFWFLSA-N 406.483 1.397 5 40 HDBB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 8876996 YHJCTAVWEVKNKH-IBGZPJMESA-N 412.358 1.250 5 40 HDBB COc1cc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c(OC)c1OC 40081295 MTNDEQCKLWVPPU-YNEHKIRRSA-N 411.455 1.848 5 40 HDBB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 224400771 MYROUSZFOGMHPH-UHFFFAOYSA-N 404.451 1.821 5 40 HDBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 17093885 XPAIOGJVNNDRSS-UHFFFAOYSA-N 424.460 1.768 5 40 HDBB COC(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc([N+](=O)[O-])c1 23077439 ABOPSBLRNVQCDX-UHFFFAOYSA-N 414.326 1.752 5 40 HDBB Cn1c(SCC(=O)Nc2cc(C(=O)O)cc([N+](=O)[O-])c2)nnc1-c1cnccn1 24614180 NZWWTFDXBPVDEC-UHFFFAOYSA-N 415.391 1.609 5 40 HDBB Cc1cccc(N2CN=c3s/c(=C4\C(=O)Nc5ccc([N+](=O)[O-])cc54)c(=O)n3C2)c1 9246670 GENJCJJSSRSESW-MSUUIHNZSA-N 421.438 1.332 5 40 HDBB O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 40115808 PDGWKCMBXPSCKO-GXSJLCMTSA-N 408.263 1.492 5 40 HDBB Cc1nn(C(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1S(=O)(=O)N1CCOCC1 8611200 PBZCOXBAOWMJJO-UHFFFAOYSA-N 408.436 1.426 5 40 HDBB COc1cccc(CNC(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 8883483 DTNXRHFGJWHUNS-UHFFFAOYSA-N 422.415 1.480 5 40 HDBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(NS(C)(=O)=O)CC1 10043158 XEPCCNCGTSTUAL-JTQLQIEISA-N 404.876 1.589 5 40 HDBB COC[C@H](C)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 13847187 FWODITCDNJKJET-AWEZNQCLSA-N 407.448 1.941 5 40 HDBB CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 17091433 MDYOFBMPRANQBC-UHFFFAOYSA-N 418.483 1.964 5 40 HDBB Cc1cccc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)c1 33238647 PYBACDUMYKZQGE-UHFFFAOYSA-N 408.414 1.848 5 40 HDBB CCOC(=O)[C@@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 57531318 XZZYHXVFWLICKF-COPLHBTASA-N 407.301 1.427 5 40 HDBB CCN(CC)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 5952390 KAFYWMZPVJNHMN-KRWDZBQOSA-N 412.512 1.596 5 40 HDBB CN(C)[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccco1 9439097 JBRNXKVQGLOCEC-KRWDZBQOSA-N 424.479 1.924 5 40 HDBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O 409236850 GHOPYRWWWYOUPI-NTEUORMPSA-N 412.358 1.840 5 40 HDBB CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCCn2ccnc2)c1=N 100848212 ODIQXCYRWMRQNK-UHFFFAOYSA-N 405.462 1.474 5 40 HDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 2087571 WRWRDSDAJVFSOE-UHFFFAOYSA-N 412.402 1.959 5 40 HDBB NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9223678 SIMQTYOTLUFSLR-UHFFFAOYSA-N 405.841 1.374 5 40 HDBB CCSc1n[nH]c(-n2ccc3nc4ccn(CCN(C)C)c(=O)c4cc3c2=O)n1 40398920 QGNVWUMJNANMJJ-UHFFFAOYSA-N 411.491 1.492 5 40 HDBB COc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] 9509620 DPZNUWJBEMAPOB-UHFFFAOYSA-N 415.449 1.655 5 40 HDBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)NCc2ccccc2)CC1 96988756 WUSZHCMLIBHCCC-UHFFFAOYSA-N 412.446 1.820 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CNC(=O)c1cccc(F)c1 7778466 USSWXGKYHOTJTH-UHFFFAOYSA-N 405.338 1.654 5 40 HDBB CS(=O)(=O)c1ccc(NCCCN2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 23888249 HUMYUIXFMOAQNQ-UHFFFAOYSA-N 420.495 1.413 5 40 HDBB COc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCN(c2ncccn2)CC1 23895158 SCSRJHUQRXQVCH-UHFFFAOYSA-N 400.439 1.336 5 40 HDBB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1C[C@@H]1CCCO1 27053565 WFFQYLLDIYOOGQ-AWEZNQCLSA-N 402.407 1.336 5 40 HDBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1cccs1 408638494 RHFWCUBUQUFQRF-LLVKDONJSA-N 417.399 1.576 5 40 HDBB COc1cccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)c1 23108051 WCELIDCMEQUITP-LJQANCHMSA-N 421.475 1.955 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@H](C)C(=O)NCC(C)C)CC1 14916284 NPOGKEJZABXBQD-OAHLLOKOSA-N 412.512 1.370 5 40 HDBB O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 40051278 DPHGPSOWYMSIDY-KRWDZBQOSA-N 410.430 1.374 5 40 HDBB O=C(c1ccc(Cn2cnnn2)cc1)N1C[C@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 524732127 YRYIHJYVADVQDZ-GDBMZVCRSA-N 421.417 1.051 5 40 HDBB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 40072079 XMVOXDALAPGYNB-UHFFFAOYSA-N 410.496 1.862 5 40 HDBB NS(=O)(=O)c1ccc(CCNC(=O)c2cn[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1 72329409 MSJXPOCJHJCNKM-UHFFFAOYSA-N 415.431 1.605 5 40 HDBB O=C1NCCCC[C@@H]1Nc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 245053653 PEXZHGUIYBDPEN-IKOBMHHLSA-N 410.430 1.987 5 40 HDBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCC1=CCCCC1 6251607 VVLXAKGRRORIOM-UHFFFAOYSA-N 415.402 1.741 5 40 HDBB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 10272483 IXQKZKXFKWDJRZ-IAGOWNOFSA-N 408.374 1.835 5 40 HDBB Cc1nnc(CN2C[C@@]3(F)CN(Cc4ccc(O)c([N+](=O)[O-])c4)C[C@@]3(F)C2=O)o1 306135281 OMLVERFABDJATH-DLBZAZTESA-N 409.349 1.266 5 40 HDBB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccc([N+](=O)[O-])c1C 14287541 LLAUTQIAYCHQRX-UHFFFAOYSA-N 401.423 1.703 5 40 HDBB COC(=O)[C@@]1(C(F)(F)F)N=C(c2cccc([N+](=O)[O-])c2)OC(N2CCOCC2)=N1 1870512 HWOFDGAQJHUZNM-OAHLLOKOSA-N 416.312 1.491 5 40 HDBB C[C@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 9195986 QCZPONTWOFZWJL-VBNZEHGJSA-N 415.402 1.806 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(C[C@H](O)CN(C)C)S(=O)(=O)c1ccccc1 1902396 PXGQGVIQIHOZNN-OAHLLOKOSA-N 409.464 1.721 5 40 HDBB O=C(COc1cc(O)c2c(=O)c3ccccc3oc2c1)N[C@@H]1CCS(=O)(=O)C1 13683931 JPTFXZSFCAMMRS-LLVKDONJSA-N 403.412 1.334 5 40 HDBB COCc1cnc2c(c1SCc1ccc([N+](=O)[O-])cc1)c(=O)n(C)c(=O)n2C 15883800 GWRCJYKAFARRCY-UHFFFAOYSA-N 402.432 1.979 5 40 HDBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cn3cnc4ccccc43)CC2)c1 16342350 DLDSVHYJVTVAHT-UHFFFAOYSA-N 401.448 1.909 5 40 HDBB COCc1cnc2c(c1SCc1cccc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C 15883806 POCOKBRLETXSDY-UHFFFAOYSA-N 402.432 1.979 5 40 HDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ccccc2O)CC1 533197780 HDGUUDWCVRNEQC-UHFFFAOYSA-N 410.386 1.245 5 40 HDBB Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c([N+](=O)[O-])n1 6191400 CFOXOZVGACRWDM-UHFFFAOYSA-N 420.447 1.210 5 40 HDBB C[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 165689933 UILMECJHSVGHRG-UKTVDESPSA-N 415.402 1.496 5 40 HDBB NC(=O)c1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 6346062 DHGDUWPXSQNNRV-MDWZMJQESA-N 416.459 1.816 5 40 HDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 40115802 PDGWKCMBXPSCKO-KOLCDFICSA-N 408.263 1.492 5 40 HDBB CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)n1 2764683 FRVHUIPMPPZKIV-UHFFFAOYSA-N 417.407 1.654 5 40 HDBB COC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3C)C(=O)[C@H]12 5549151 GNGNRDLEGYZPHX-YWZLYKJASA-N 408.370 1.420 5 40 HDBB NS(=O)(=O)c1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 9290156 YRAVSFNNWBLBJK-UHFFFAOYSA-N 407.433 1.849 5 40 HDBB Cc1ccc(NC(=O)CN(C)C(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)cc1 21698847 PUMBFTJIZWDWMF-UHFFFAOYSA-N 415.450 1.816 5 40 HDBB COc1nn(CCCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)cc1[N+](=O)[O-] 36614827 BHAZSLWCRCPCTM-UHFFFAOYSA-N 408.387 1.377 5 40 HDBB CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 9571149 GAMVBXMKTPINSN-UHFFFAOYSA-N 418.435 1.756 5 40 HDBB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc([N+](=O)[O-])cc3)nc21 12140173 LNGCGWDRFHVPPS-UHFFFAOYSA-N 406.358 1.792 5 40 HDBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 16694635 GFXZEYVZFGYZCO-CQSZACIVSA-N 420.491 1.594 5 40 HDBB CN(C)C(=O)[C@@H]1CCCN1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 58277575 FXMASFWBPOHBAL-AWEZNQCLSA-N 418.903 1.469 5 40 HDBB O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 2214421 PPIIOAZUVXKWCK-MRXNPFEDSA-N 400.366 1.703 5 40 HDBB O=C(CSc1nc(=O)n(CCO)c2c1CCCC2)Nc1ccccc1[N+](=O)[O-] 10256710 OIOSBVDRPVCHHX-UHFFFAOYSA-N 404.448 1.753 5 40 HDBB CNS(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 226862451 BOHFHDRGOOKGPR-UHFFFAOYSA-N 419.412 1.451 5 40 HDBB CN1C(=O)C([C@@H]2c3ccccc3C(=O)N2Cc2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=O 8829313 CYACSVTUZYCJOP-KRWDZBQOSA-N 422.397 1.959 5 40 HDBB COc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 226863087 BQTIOQCKABCNPE-UHFFFAOYSA-N 405.385 1.191 5 40 HDBB COC(=O)[C@@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccco1)C(F)(F)F 4939828 KGRPBEOTWPPUIP-AWEZNQCLSA-N 402.285 1.966 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15271391 YLRCQUVFBOWGJX-UHFFFAOYSA-N 421.431 1.877 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16042257 SLKXOQKYDNXEGO-ZKGWLNIXSA-N 406.398 1.848 5 40 HDBB biogenic CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 22061483 KQCLXNSBRRDFCO-ROUUACIJSA-N 421.475 1.748 5 40 HDBB CC1CCC(NC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 7159931 QWDZKXFMIFPOIW-KWVKFQHESA-N 411.480 1.414 5 40 HDBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 7541271 FCNIWARPDZMNHK-OAHLLOKOSA-N 412.464 1.941 5 40 HDBB Cc1cc(C)n(CCCNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 9285822 LBAFRIRCIYEGME-UHFFFAOYSA-N 423.495 1.931 5 40 HDBB Cn1cnnc1[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1 31653430 DNYOJJQJZGZAEG-CQSZACIVSA-N 420.495 1.892 5 40 HDBB COC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 100982787 KUZCJKJFGSBDBN-WBVHZDCISA-N 408.370 1.810 5 40 HDBB C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NS(C)(=O)=O)cc1 32928058 CHOXLJMWXRSEKE-LBPRGKRZSA-N 420.447 1.574 5 40 HDBB CNC(=O)c1ccc(N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 84240637 ZURYVYKZZKVZJO-CQSZACIVSA-N 407.471 1.600 5 40 HDBB O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccccc1 9123243 OGNGFNUEJLXBRZ-UTKZUKDTSA-N 422.397 1.626 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCN1CCCCCC1)S(C)(=O)=O 10334798 IJGOUNIOOGQMEF-UHFFFAOYSA-N 412.512 1.661 5 40 HDBB CCOC(=O)[C@@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 106213606 XZZYHXVFWLICKF-WDMOLILDSA-N 407.301 1.427 5 40 HDBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 3523609 SDAZWOXADZFJMH-UHFFFAOYSA-N 419.459 1.815 5 40 HDBB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c1 12537928 NDWPPSQGMUNASF-UHFFFAOYSA-N 407.404 1.641 5 40 HDBB Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(Br)c1 24864761 DPHGIYYOXRDJMF-UHFFFAOYSA-N 409.196 1.565 5 40 HDBB Cc1nnc(Sc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])n1C 36321615 WVZJJKCFLNHPEO-UHFFFAOYSA-N 412.497 1.119 5 40 HDBB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 12893559 RXASUQCXDJVDDD-PWSUYJOCSA-N 418.855 1.829 5 40 HDBB COc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1[N+](=O)[O-] 12994288 HFBUOJZIDPJVCE-UHFFFAOYSA-N 412.468 1.562 5 40 HDBB COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 2280244 RSKGQOKSNXTJAS-UHFFFAOYSA-N 405.432 1.750 5 40 HDBB COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1[N+](=O)[O-] 12853338 ZNAKAOWZGJPHAB-UHFFFAOYSA-N 412.468 1.516 5 40 HDBB CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC(C)=O)c1=N 16741617 IPECMNZOQZVCAP-UHFFFAOYSA-N 411.462 1.530 5 40 HDBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 15946820 QMWUDFNDBFTCOL-UHFFFAOYSA-N 423.422 1.936 5 40 HDBB O=C(CCn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 24833901 CPDZGWXJKQLREI-UHFFFAOYSA-N 420.447 1.570 5 40 HDBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 27370025 GOZUBJRQBGSSHR-YJBOKZPZSA-N 407.471 1.043 5 40 HDBB COCCn1cc(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1=O 47246305 VQFVYGNCRHSVKU-UHFFFAOYSA-N 405.407 1.393 5 40 HDBB COC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 100982785 KUZCJKJFGSBDBN-NVXWUHKLSA-N 408.370 1.810 5 40 HDBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(N)=O)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O 101343794 AEDRUXHQYQPUDY-YRXWBPOGSA-N 418.409 1.904 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC1CCN(C)CC1)S(C)(=O)=O 222378668 NBEGSSRYRLGGEC-UHFFFAOYSA-N 412.512 1.660 5 40 HDBB CCOCCCNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 12568831 MDTJQTNDOWAOBD-UHFFFAOYSA-N 414.484 1.346 5 40 HDBB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 23107361 SZIJYKRTJGEVRK-GOSISDBHSA-N 416.409 1.862 5 40 HDBB O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 11796126 GBTHEXVUQUIGEC-UHFFFAOYSA-N 422.463 1.460 5 40 HDBB CCOC(=O)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3oc2=O)CC1 12413551 XJXCHJKUGDEZID-UHFFFAOYSA-N 405.363 1.624 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 14066668 UWZSQEJSFNNEGX-LNSDYSHSSA-N 423.447 1.928 5 40 HDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NC(=O)c1ccccc1 7978158 OVSGPDCKMOZRHM-UHFFFAOYSA-N 413.386 1.545 5 40 HDBB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 96444316 QGLIIJPGIWVTRK-NSHDSACASA-N 406.878 1.965 5 40 HDBB O=C(C1=NO[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1ccc([N+](=O)[O-])cc1 104819158 OHFWWHNIWSUOME-BBRMVZONSA-N 410.298 1.630 5 40 HDBB Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](CN2CCN(C)CC2)O3)cc1[N+](=O)[O-] 306142086 WOZLDERNTQYNSF-GOSISDBHSA-N 402.495 1.914 5 40 HDBB COc1cc(OC)cc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 12552368 JZSFXNCVONNQHD-UHFFFAOYSA-N 423.447 1.857 5 40 HDBB Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCO)c2=N)cc1 100861123 XVNPJGPUYJWREF-UHFFFAOYSA-N 403.442 1.359 5 40 HDBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1F 941639 WUVCQPMHIMTCTO-UHFFFAOYSA-N 401.306 1.512 5 40 HDBB Cn1c(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nnc1C1CCC1 95943759 GJHDXDBAVQNEQO-UHFFFAOYSA-N 409.424 1.241 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 245284919 UWZSQEJSFNNEGX-OGJWQKAUSA-N 423.447 1.928 5 40 HDBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 7541276 FCNIWARPDZMNHK-HNNXBMFYSA-N 412.464 1.941 5 40 HDBB O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 10211845 LBNSNEYGDPOKPH-UHFFFAOYSA-N 412.233 1.807 5 40 HDBB O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 40115827 SZEZVBBKKUSWNA-ZIAGYGMSSA-N 403.826 1.200 5 40 HDBB C[C@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 102128720 QCZPONTWOFZWJL-RCBQFDQVSA-N 415.402 1.806 5 40 HDBB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 408975058 JHJDZSXFBBIKDU-MPTQWLOMSA-N 409.192 1.553 5 40 HDBB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C2CCCC2)C2CC2)c([N+](=O)[O-])c1 24687174 UWEDNRXFZJJQCE-UHFFFAOYSA-N 417.509 1.941 5 40 HDBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] 3503494 VHHBQGBDPSYSMN-UHFFFAOYSA-N 418.427 1.740 5 40 HDBB Nc1ccc(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1[N+](=O)[O-] 12527689 AVCYBRALWCCYOM-MDWZMJQESA-N 416.459 1.936 5 40 HDBB Cn1c(=O)c2nc(Br)n(CCOc3cccc([N+](=O)[O-])c3)c2n(C)c1=O 40127555 XXRMYJSNVXREJS-UHFFFAOYSA-N 424.211 1.183 5 40 HDBB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2cccnc2[N+](=O)[O-])c1 9119840 FBYRCWHBEDDLHT-UHFFFAOYSA-N 414.827 1.911 5 40 HDBB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cc1 32803706 XUKVXAAARHTDIH-UHFFFAOYSA-N 420.447 1.927 5 40 HDBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CCO)c2=N)cc1 100863328 LDJUBLLIIBCLSP-UHFFFAOYSA-N 410.455 1.262 5 40 HDBB COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225012899 AGJKFGCYDKRSHM-UHFFFAOYSA-N 408.388 1.750 5 40 HDBB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 15952900 NAERQYNXVOZYOS-KJWXAFIESA-N 410.474 1.520 5 40 HDBB O=C1NC(=O)[C@H]2[C@H]1[C@@H]1C=Cc3ccccc3N1[C@@H]2C(=O)Nc1ccc([N+](=O)[O-])cc1 18126639 LGKILSCEMDIKSY-MHORFTMASA-N 404.382 1.706 5 40 HDBB CN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)CC1 57092969 CJKFHNLXAMYSAC-UHFFFAOYSA-N 412.498 1.041 5 40 HDBB NS(=O)(=O)c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c([N+](=O)[O-])c1 12629602 BMGQPTPCZGNAMQ-UHFFFAOYSA-N 416.463 1.212 5 40 HDBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 6227484 MOBJOODSBQFBFK-OAHLLOKOSA-N 411.370 1.514 5 40 HDBB COCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 100826629 QPCPKSDLJYEOJP-UHFFFAOYSA-N 424.482 1.916 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O 220392137 BXRAHLQKSGAVSO-LBPRGKRZSA-N 420.447 1.795 5 40 HDBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cn1 24828499 UIALKGROMHHHQC-UHFFFAOYSA-N 420.447 1.662 5 40 HDBB O=C(Nc1cccc2c(O)n[nH]c(=O)c12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9087035 RWJUGDCVYNMWRQ-UHFFFAOYSA-N 411.374 1.626 5 40 HDBB CC(=O)Nc1ccc(S(=O)(=O)NNC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 17088228 XIJGLIAQYQXDHN-UHFFFAOYSA-N 409.449 1.733 5 40 HDBB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 35374714 XOHUUBQQCQPDMO-LLVKDONJSA-N 409.420 1.918 5 40 HDBB Cc1c(C(=O)N(C)C)sc2ncn3nc(Cn4nc([N+](=O)[O-])cc4C)nc3c12 2791389 HFMGSNWQKWSUAK-UHFFFAOYSA-N 400.424 1.811 5 40 HDBB C[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 5673188 HPKKNWRCPQYJSR-FMKPAKJESA-N 411.480 1.774 5 40 HDBB Cc1cc(=O)c(C(=O)N2CCC3(CC2)OCCO3)nn1-c1ccccc1[N+](=O)[O-] 24996799 ACAUSIHONKBXRK-UHFFFAOYSA-N 400.391 1.428 5 40 HDBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)N1CCCC1 106770105 AKDDITCSXPCRME-NSIKDUERSA-N 405.388 1.982 5 40 HDBB CCOC(=O)c1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc(C(=O)OCC)c1 8825390 DGANQGSEADUSBA-UHFFFAOYSA-N 417.374 1.749 5 40 HDBB COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)cc1OC 9404007 NEXSYLNKYXNJEC-UHFFFAOYSA-N 412.358 1.704 5 40 HDBB CCCn1nnc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 57316625 APECRQONAIMTQR-UHFFFAOYSA-N 404.456 1.718 5 40 HDBB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1[N+](=O)[O-] 140530355 SJMNXMDACBRRMQ-BMEPFDOTSA-N 413.386 1.192 5 40 HDBB Cc1nn(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)c(C)c1[N+](=O)[O-] 8690408 YUBWYLKDYMKSSA-UHFFFAOYSA-N 415.859 1.951 5 40 HDBB COC(=O)COc1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 9584747 QWKPRZDOBYJBRW-UHFFFAOYSA-N 413.342 1.381 5 40 HDBB COc1cc(C[C@@]2(c3ccc([N+](=O)[O-])cc3)NC(N)=NC2=O)cc(OC)c1OC 71974610 UXCVZNLUCDDLIR-IBGZPJMESA-N 400.391 1.503 5 40 HDBB CCOC(=O)C1=NO[C@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@H]12 4054005 GSYPMPNKZOJCDP-HOTGVXAUSA-N 405.407 1.872 5 40 HDBB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 7284675 ASELZROGROAUQB-UHFFFAOYSA-N 409.450 1.931 5 40 HDBB CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1 15205752 QARDOLFYPIWHPM-CQSZACIVSA-N 410.496 1.684 5 40 HDBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(NS(=O)(=O)c2cccs2)CC1 40083062 FQLTUKZQPHOJEU-UHFFFAOYSA-N 411.465 1.098 5 40 HDBB Cc1nn(C)c(C)c1C1=NO[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 102725765 XQQZYBNDRKQGGI-ZFWWWQNUSA-N 403.782 1.891 5 40 HDBB COCCNc1nc(O)c2c(n1)NC(=O)[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 1548338317 HVQSBWYYADMCJR-JTQLQIEISA-N 416.394 1.288 5 40 HDBB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 12979168 GFBHYFQZALRHTE-ZDUSSCGKSA-N 407.452 1.851 5 40 HDBB CCCc1n[nH]c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)n1 12982168 ZDNCJQTYSSJRFA-UHFFFAOYSA-N 413.481 1.838 5 40 HDBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] 2649414 BHGKUERJFONDQF-UHFFFAOYSA-N 404.400 1.744 5 40 HDBB Cc1c2cc[n+](C)cc2c(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2c3ccccc3n(C)c12 5487651 ZNXXZAZGDYGHGN-UQAQOTMJSA-N 423.489 1.573 5 40 HDBB CSc1n[nH]c(-n2ccc3nc4ccn(Cc5ccncc5)c(=O)c4cc3c2=O)n1 40398882 FDMVXAIFPILWQT-UHFFFAOYSA-N 417.454 1.984 5 40 HDBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1nc(N2CCOCC2)ncc1Cl 42128095 DTDVSCXVUABNNP-UHFFFAOYSA-N 406.830 1.717 5 40 HDBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCC(F)(F)F)c([N+](=O)[O-])c1 5207037 TXMYOFHPDCRKIZ-UHFFFAOYSA-N 413.374 1.683 5 40 HDBB Cc1c(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cccc1[N+](=O)[O-] 220030217 BMWXWCUYFQUQHZ-UHFFFAOYSA-N 421.431 1.714 5 40 HDBB COc1cc(CCNC(=O)NC2CCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])cc1OC 32803002 CWZDBGASMCZZAQ-UHFFFAOYSA-N 420.466 1.855 5 40 HDBB O=C(c1ccc(Cn2cnnn2)cc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 583652727 YRYIHJYVADVQDZ-ZBFHGGJFSA-N 421.417 1.051 5 40 HDBB biogenic CC[C@H](C)N(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 12521866 XKFPCXVKYYOTOW-AAEUAGOBSA-N 413.452 1.148 5 40 HDBB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 408594443 RYNMCWVMQHKVCI-UHFFFAOYSA-N 423.447 1.845 5 40 HDBB C[N+](C)(CCOC(=O)[C@@](O)(c1ccccc1)C1CCCC1)CN1C(=O)CCC1=O 1831240 MNRUYZPLVHJDTJ-JOCHJYFZSA-N 403.499 1.791 5 40 HDBB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 9655447 KTFXRZGTUXYLJF-UHFFFAOYSA-N 411.397 1.736 5 40 HDBB CCC1(CC)NC(=O)N(CC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 3438272 AAJXZUWNZQQOAP-UHFFFAOYSA-N 417.378 1.799 5 40 HDBB COc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)c([N+](=O)[O-])cc1OC 11112767 VIFGDSUQYDGKAO-UHFFFAOYSA-N 402.407 1.774 5 40 HDBB COC(=O)c1ccc(CNC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 16516367 LGFSPNVWRCQHOO-UHFFFAOYSA-N 412.446 1.820 5 40 HDBB CC1CCC(NS(=O)(=O)c2ccc(NCc3n[nH]c(=O)[nH]3)c([N+](=O)[O-])c2)CC1 79061699 LQBHBIJMFMEZBJ-UHFFFAOYSA-N 410.456 1.475 5 40 HDBB CC1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 2659874 QWDZKXFMIFPOIW-SGALNCENSA-N 411.480 1.414 5 40 HDBB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)c1C 2764458 VWSIXDQKYPPDGI-UHFFFAOYSA-N 420.407 1.836 5 40 HDBB O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccccc1 3288979 NIYIRZIBOQQXDT-UHFFFAOYSA-N 411.370 1.441 5 40 HDBB CCCCCCn1cc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(=O)[nH]c1=O 89953412 MMICYSVUWZIBBO-UHFFFAOYSA-N 414.415 1.965 5 40 HDBB Cc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 12562636 VXHZRNXNXURACB-UHFFFAOYSA-N 407.434 1.906 5 40 HDBB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 89486458 VWKKHWXDFJUNIB-SECBINFHSA-N 406.258 1.967 5 40 HDBB COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224898701 LOCSYLFTMFAUSN-UHFFFAOYSA-N 407.404 1.922 5 40 HDBB COC(=O)[C@H](Cc1ccccc1)NC(=O)COCC(=O)Nc1ccc([N+](=O)[O-])cc1 4721895 ZNPVDXMXQFEVPJ-KRWDZBQOSA-N 415.402 1.450 5 40 HDBB NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 6507569 DTBMCLCDZAHKSX-UHFFFAOYSA-N 413.839 1.633 5 40 HDBB CC(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)CC1 4732955 WJPKENHHSFYNDG-UHFFFAOYSA-N 400.391 1.611 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C1=O 9312531 VHNIXYXGZOURIT-GDBMZVCRSA-N 412.314 1.804 5 40 HDBB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 12893552 RXASUQCXDJVDDD-ZYHUDNBSSA-N 418.855 1.829 5 40 HDBB COC(=O)c1cc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 3311872 WCPOUEIKJMZXDR-UHFFFAOYSA-N 416.342 1.583 5 40 HDBB CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 78967718 FUCZHLBRTWFBLZ-INIZCTEOSA-N 421.523 1.867 5 40 HDBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)N[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 102255315 RRPBDMOQEUVBAR-CKEIUWERSA-N 424.548 1.964 5 40 HDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 408536772 XYXZTDZJOMHHNZ-UHFFFAOYSA-N 407.364 1.494 5 40 HDBB CN(C)CCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 10111535 PMBSSMIORKTPHC-UHFFFAOYSA-N 406.464 1.468 5 40 HDBB O=c1c2cnn(-c3ccccc3)c2ncn1C[C@H](O)COc1cccc([N+](=O)[O-])c1 24832097 DYCPCJOVWPIFGJ-INIZCTEOSA-N 407.386 1.930 5 40 HDBB O=C1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cn2)CCN1 27262482 UVYZIOIBYVLRBG-UHFFFAOYSA-N 410.434 1.779 5 40 HDBB CC1CCC(NS(=O)(=O)c2ccc(N3C[C@H](O)C[C@@H]3CO)c([N+](=O)[O-])c2)CC1 95446163 ZNDNRYUQUWWGHV-NEXFUWMNSA-N 413.496 1.384 5 40 HDBB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccn3)CC2)c([N+](=O)[O-])c1 58245828 YIQLNODKZIYULO-UHFFFAOYSA-N 420.447 1.074 5 40 HDBB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1 2764296 DHRZPFGQGKWVCN-UHFFFAOYSA-N 415.431 1.417 5 40 HDBB CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1cccc([N+](=O)[O-])c1 13856484 OLCHKZBKTKFUMR-UHFFFAOYSA-N 404.404 1.346 5 40 HDBB CN(CCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 22347952 RXMLXHXVCWAERG-UHFFFAOYSA-N 406.464 1.613 5 40 HDBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 104497019 HQTBMWNSTCRTFD-WBVHZDCISA-N 423.341 1.826 5 40 HDBB CCc1cc2c(=O)n(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cnc2s1 12852619 KCRNNFXUXJMKLV-UHFFFAOYSA-N 415.431 1.819 5 40 HDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(c2nnc3n2CCC3)CC1 47267832 YERYTPLZAAKJLF-UHFFFAOYSA-N 407.452 1.709 5 40 HDBB O=C(NCCN1CCN(c2ncccn2)CC1)c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1 96012329 FUZKDCRHYWFULD-UHFFFAOYSA-N 422.449 1.327 5 40 HDBB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 197792377 KVJJCPIULGLPRQ-UHFFFAOYSA-N 407.404 1.771 5 40 HDBB COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 7804958 SZYXMQDJXJEALU-UHFFFAOYSA-N 419.459 1.679 5 40 HDBB CS(=O)(=O)c1ccc(N2CCN(C(=O)NCc3cccnc3)CC2)c([N+](=O)[O-])c1 12561396 IYBZSGIVYGZLNN-UHFFFAOYSA-N 419.463 1.425 5 40 HDBB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 15629562 FYCIGRHYHGZADM-UHFFFAOYSA-N 422.463 1.734 5 40 HDBB C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O 31658839 PTMXWYKHTNQJPB-KRWDZBQOSA-N 417.403 1.161 5 40 HDBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(C)=O 101155537 YXJSFTCKGOITMR-DCBSDEPNSA-N 424.457 1.761 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(N)=O)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 101342678 KEKUGUJXCCMEHX-LULLPPNCSA-N 418.409 1.778 5 40 HDBB COc1ccccc1CNC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220026555 PJXZXDSQBLPNPT-UHFFFAOYSA-N 407.448 1.994 5 40 HDBB C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4157457 GKWWSMLMOAPXHH-SYCOBUBCSA-N 400.387 1.740 5 40 HDBB O=C(CN1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1)N1CCCCC1 14196705 RUGDBUORWLXLAQ-UHFFFAOYSA-N 415.494 1.114 5 40 HDBB O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCS(=O)(=O)Nc1ccccn1 72314012 SVHNZIBMRQMGSH-UHFFFAOYSA-N 420.856 1.363 5 40 HDBB CNc1ccc(/C=c2/s/c(=C\C(=O)c3ccc(OC)cc3)[nH]c2=O)cc1[N+](=O)[O-] 105630484 PPOADKWXGMRZHR-PAUOAVIZSA-N 411.439 1.887 5 40 HDBB N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 253562725 DPNHDLFPGCOTCP-MRXNPFEDSA-N 412.406 1.321 5 40 HDBB Cc1cc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 5635703 RAEZWRKFOLWWIV-HNNXBMFYSA-N 412.464 1.732 5 40 HDBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 8753020 IFWKAZNLZHQIQE-LJQANCHMSA-N 411.374 1.099 5 40 HDBB CN(C)C(=O)CN[C@@H]1CCCC[C@@]12CN(Cc1ccc(O)c([N+](=O)[O-])c1)CCO2 306123785 AWPJOBHAFLWNEK-UYAOXDASSA-N 406.483 1.492 5 40 HDBB C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 2115114 JDELIMGEDZMALB-ZDUSSCGKSA-N 400.391 1.909 5 40 HDBB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 7779637 JPRLWBNCWLCUOI-UHFFFAOYSA-N 408.370 1.955 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 9907579 KTHVTTSYEGWSIR-UHFFFAOYSA-N 424.391 1.916 5 40 HDBB CC(=O)O[C@@H]1CO[C@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 6073934 VCVRZLCSAQZAAQ-MKXGPGLRSA-N 420.374 1.873 5 40 HDBB O=c1cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2ccccn12 10973505 VCQIPNXMJONFSA-UHFFFAOYSA-N 415.431 1.114 5 40 HDBB COCCN1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 58214101 SOHCGDUAEVAYCO-HNNXBMFYSA-N 412.512 1.760 5 40 HDBB Cc1ccc(Cc2nn3c(=O)/c(=C\c4cccc([N+](=O)[O-])c4)sc3nc2=O)cc1 5006655 VHFGCXISWVROLT-GZTJUZNOSA-N 406.423 1.866 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCN1CCCCC1)S(C)(=O)=O 10279426 MQIONPCUIZJGMT-UHFFFAOYSA-N 412.512 1.661 5 40 HDBB O=[N+]([O-])c1ccc(N2CCN(Cn3nnn(C[C@@H]4CCCO4)c3=S)CC2)cc1 25059857 NQGRSBLGWJHTIA-INIZCTEOSA-N 405.484 1.676 5 40 HDBB CN1C(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2C1=O 6544645 QLQDNOSXAZJYKE-UHFFFAOYSA-N 410.386 1.910 5 40 HDBB COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1[N+](=O)[O-] 8022708 BEKBNWJLGASLMJ-AWEZNQCLSA-N 409.464 1.793 5 40 HDBB O=C(O)COc1ccc(Br)cc1/C=C/c1nc(O)c([N+](=O)[O-])c(=O)[nH]1 9234815 OAXNZKDPBZMNPR-DAFODLJHSA-N 412.152 1.780 5 40 HDBB COc1ccc(NC(=O)CN2CCC(C(=O)Nc3cnccn3)CC2)c([N+](=O)[O-])c1 40151453 KALKGCCJZLMBDH-UHFFFAOYSA-N 414.422 1.683 5 40 HDBB CC(=O)Nc1ccc(-n2ccc3nc4ccn(-c5ncn[nH]5)c(=O)c4cc3c2=O)cc1 40372906 JXSVKUUWARQEBW-UHFFFAOYSA-N 413.397 1.766 5 40 HDBB COc1ccc(S(=O)(=O)N2CC(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 95444639 KPMHTBOSEWIQNR-UHFFFAOYSA-N 405.432 1.715 5 40 HDBB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 140530189 SJMNXMDACBRRMQ-GNTOHDJUSA-N 413.386 1.192 5 40 HDBB COc1cc(C(=O)n2c(=O)oc(=O)c3cc([N+](=O)[O-])ccc32)cc(OC)c1OC 1589268 OWJJUNFVCFMWGL-UHFFFAOYSA-N 402.315 1.577 5 40 HDBB COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])N2CCOCC2)c1 23108059 CMHFMIWULAKMGB-GOSISDBHSA-N 421.475 1.955 5 40 HDBB O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccc(OC(F)(F)F)cc1 40115436 GQOMLUNGWZNELW-ZIAGYGMSSA-N 416.356 1.333 5 40 HDBB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 13565849 HUYJERMQHLWIPG-MRXNPFEDSA-N 424.841 1.752 5 40 HDBB O=C(CN1CCOCC1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 31716693 GUBLXBBCJCJMHV-UHFFFAOYSA-N 405.432 1.698 5 40 HDBB COc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)O)OCCO3)c([N+](=O)[O-])c1 96319107 HGVNARFXSKVIIP-UHFFFAOYSA-N 410.360 1.874 5 40 HDBB COC[C@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 408613744 XTVGUIPBBHZORL-AWEZNQCLSA-N 407.448 1.941 5 40 HDBB COc1ccc(C(=O)N2CCN(CN3C(=O)C(=O)c4cc([N+](=O)[O-])ccc43)CC2)cc1 48365504 ZXBQEWORBCZTIT-UHFFFAOYSA-N 424.413 1.548 5 40 HDBB Cc1cc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])c(=O)[nH]1 13878774 MJMHPJCQOQCBQO-UHFFFAOYSA-N 421.431 1.985 5 40 HDBB Cc1c(C(=O)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 78821767 KIWCZOZTIMAKDZ-XQQFMLRXSA-N 412.512 1.647 5 40 HDBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccc(N2CCOCC2)cc1 3445079 ZIORHZXPQKXGQD-UHFFFAOYSA-N 409.402 1.780 5 40 HDBB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 12769132 SWDQWWMCJPQBAF-MRXNPFEDSA-N 405.432 1.465 5 40 HDBB COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 12787101 VYQXDMPHRWRNTP-LBPRGKRZSA-N 415.402 1.982 5 40 HDBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nnc2n1CCC2 95348785 UQBJMYKPANSOHU-GFCCVEGCSA-N 422.467 1.327 5 40 HDBB COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 6237098 CTRBWPIBPWIJTP-UHFFFAOYSA-N 419.459 1.679 5 40 HDBB O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 40115368 GAERUIANRXMPMV-CHWSQXEVSA-N 407.370 1.204 5 40 HDBB COc1ccc(N2C[C@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1OC 15391589 BYYHFXAFRHJVCC-GFCCVEGCSA-N 421.431 1.696 5 40 HDBB O=C(NCCN(CCO)C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 16399809 VKMSTVKDNICJOS-UHFFFAOYSA-N 402.363 1.368 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccc1C)S(C)(=O)=O 113936686 YUHGBELBJADFBA-UHFFFAOYSA-N 407.448 1.994 5 40 HDBB O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 13146300 JFTBCEAHVDNVEU-STQMWFEESA-N 421.381 1.781 5 40 HDBB C[C@H]1CCCN(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 40118721 BJLHOQKPHWYEHG-HNNXBMFYSA-N 412.512 1.760 5 40 HDBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 59417230 WKVRWKKAQDLWEQ-UHFFFAOYSA-N 400.416 1.502 5 40 HDBB O=C1NCCCC[C@@H]1Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1[N+](=O)[O-] 105732816 PEXZHGUIYBDPEN-NTOVBZBDSA-N 410.430 1.987 5 40 HDBB C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4157458 GKWWSMLMOAPXHH-GSHBDLQKSA-N 400.387 1.740 5 40 HDBB CCOC(=O)C1=NO[C@@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@H]12 4054006 GSYPMPNKZOJCDP-JKSUJKDBSA-N 405.407 1.872 5 40 HDBB Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(CCO)CC3)c(O)n2n1 23157642 VAGVJRABHBKPDJ-OAHLLOKOSA-N 418.479 1.412 5 40 HDBB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 25054927 BWSZNFHKCUYIAM-UHFFFAOYSA-N 405.432 1.546 5 40 HDBB O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 40115806 PDGWKCMBXPSCKO-MWLCHTKSSA-N 408.263 1.492 5 40 HDBB CN(C)CCNC(=O)c1cccc2nc3c(C(=O)NCCN(C)C)cccc3nc12 5541375 QRQPYAACCAOZOD-UHFFFAOYSA-N 408.506 1.366 5 40 HDBB O=C1COc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3NCCO)cc2N1 26540630 CFKONYZAUQBZRB-UHFFFAOYSA-N 408.392 1.131 5 40 HDBB C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 165690064 UILMECJHSVGHRG-XJSUSFSXSA-N 415.402 1.496 5 40 HDBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 4555421 VYAMCIGMUVCVLR-HNNXBMFYSA-N 411.370 1.514 5 40 HDBB O=C(Cn1cnc2c(nnn2-c2cccc(F)c2)c1=O)Nc1ccc([N+](=O)[O-])cc1 8902982 INAAWGMOISVBTC-UHFFFAOYSA-N 409.337 1.663 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O 12782803 WUMUDQYRJJBEOD-UHFFFAOYSA-N 401.423 1.703 5 40 HDBB NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)c1=O 12768507 BRBPCHHNODWEMC-QGZVFWFLSA-N 409.398 1.962 5 40 HDBB CC1CCC(NS(=O)(=O)c2ccc(N3C[C@@H](O)C[C@H]3CO)c([N+](=O)[O-])c2)CC1 108143743 ZNDNRYUQUWWGHV-WUCCLRPBSA-N 413.496 1.384 5 40 HDBB O=c1[nH]c(=O)c2nnc3c4c(-c5ccccc5)c(-c5ccccc5)nnc4nn3c2[nH]1 5604464 USNZLBHVPKLZII-UHFFFAOYSA-N 408.381 1.931 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1ccc2c(c1)OCCO2 224838773 FEEJUTHFCJBGKF-UHFFFAOYSA-N 424.387 1.655 5 40 HDBB N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 225246159 DPNHDLFPGCOTCP-INIZCTEOSA-N 412.406 1.321 5 40 HDBB COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 2618172 XWFJULYZHTXFAL-UHFFFAOYSA-N 405.338 1.654 5 40 HDBB CC[C@H](C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)N1CCCC1=O 95939687 GUKVATCXVOCZHK-QGZVFWFLSA-N 414.466 1.911 5 40 HDBB CS(=O)(=O)N(CC(=O)NCCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 223776459 CSNJXXBUMQNAFS-UHFFFAOYSA-N 411.411 1.695 5 40 HDBB COCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3cc(C)ccc3nc21 100627916 RVADDPKNYYNLHN-UHFFFAOYSA-N 418.457 1.408 5 40 HDBB CN(C)C(=O)CN[C@@H]1CCCC[C@@]12CN(Cc1cc([N+](=O)[O-])ccc1F)CCO2 306136752 QCKNBZIHWFKDSI-UYAOXDASSA-N 408.474 1.925 5 40 HDBB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 10188035 ADQAWMRCRUGFBV-UHFFFAOYSA-N 418.412 1.988 5 40 HDBB CC[C@@H](C)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCS(=O)(=O)C1 12521859 OWOWWEZUEFNCMU-DGCLKSJQSA-N 413.452 1.148 5 40 HDBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N1CCOCC1)n1cc(Cl)ccc1=O 199407814 VKMHMRCQKKRDGB-INIZCTEOSA-N 405.794 1.693 5 40 HDBB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 8877003 YHJCTAVWEVKNKH-LJQANCHMSA-N 412.358 1.250 5 40 HDBB COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225002580 DHUJUTIYSUBRPU-UHFFFAOYSA-N 408.388 1.750 5 40 HDBB N=c1c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc2n1CCO 16732965 NIPKWYKBOYKEFS-UHFFFAOYSA-N 403.442 1.093 5 40 HDBB Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 22416241 PKZIAHHNKMTSDU-UHFFFAOYSA-N 406.439 1.712 5 40 HDBB O=[N+]([O-])c1ccc(N2CCN(Cn3nnn(C[C@H]4CCCO4)c3=S)CC2)cc1 25059865 NQGRSBLGWJHTIA-MRXNPFEDSA-N 405.484 1.676 5 40 HDBB N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 225239419 CSMAZLGRQNHWAK-INIZCTEOSA-N 412.406 1.321 5 40 HDBB C[C@@H]1CCCCN1C(=O)CN1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 32770235 IEXGISBTVCVRNK-MRXNPFEDSA-N 400.483 1.921 5 40 HDBB Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(CCCO)c3nc12 100630563 FFYJFFGLUNMJQL-UHFFFAOYSA-N 418.457 1.144 5 40 HDBB O=C1NC(=O)[C@@H]2[C@@H]1[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)Nc1ccc([N+](=O)[O-])cc1 247319817 LGKILSCEMDIKSY-XMTFNYHQSA-N 404.382 1.706 5 40 HDBB CS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 2661115 XYOILQBYNRZXPU-UHFFFAOYSA-N 418.383 1.451 5 40 HDBB C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCCCC1 24843548 XSFRPCKPPSPRTH-VXGBXAGGSA-N 417.418 1.960 5 40 HDBB Cc1cccc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 5228086 LMNNFIIXVYMASA-CQSZACIVSA-N 412.464 1.732 5 40 HDBB COc1cc(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)ccc1I 10233841 UDDXLHUZXBOGBE-UHFFFAOYSA-N 423.188 1.950 5 40 HDBB Cc1c(N(CC(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)cccc1[N+](=O)[O-] 220032156 XUXKIZKXXXPIRJ-UHFFFAOYSA-N 406.420 1.407 5 40 HDBB O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 6094708 SUFQBCYQXUQNQC-UHFFFAOYSA-N 422.419 1.028 5 40 HDBB C[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])Cn1cccn1 36393993 JCSMDNRJBNOFEW-CQSZACIVSA-N 409.468 1.560 5 40 HDBB COCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)c1=N 100907766 VFMMFBJXSHUJLC-UHFFFAOYSA-N 417.469 1.748 5 40 HDBB Nc1nc(CN2CCN(c3cc4[nH]c(=O)oc4cc3[N+](=O)[O-])CC2)nc2ccccc12 89866712 BWUAJFTWHMJKAY-UHFFFAOYSA-N 421.417 1.877 5 40 HDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc(F)c(F)c1 4313715 BILLTUOMSJPPAR-UHFFFAOYSA-N 404.281 1.895 5 40 HDBB O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]12 8971596 IIWQSFYIIPFJMB-DNVCBOLYSA-N 400.460 1.902 5 40 HDBB C[C@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12796273 NRCCCRBPEJIRMZ-TVQRCGJNSA-N 419.843 1.542 5 40 HDBB CC(C)(C)[C@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O 108169708 IXCJXXULVUITFR-WCQYABFASA-N 400.453 1.784 5 40 HDBB CC(=O)N[C@H](Cc1cccn1C)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1 19020117 VTNFJFRMKMBJAJ-QGZVFWFLSA-N 414.466 1.161 5 40 HDBB CCn1ncc(CN2CCN(C(=O)CCn3nc(C)c([N+](=O)[O-])c3C)CC2)c1C 22418546 SSMQCKAFVWECRG-UHFFFAOYSA-N 403.487 1.667 5 40 HDBB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1 32081043 WJJOXQMUUKXWLL-LLVKDONJSA-N 405.388 1.833 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 32818925 SWURQZKPEXKOCW-KRWDZBQOSA-N 404.404 1.759 5 40 HDBB COc1ccccc1CNC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 113936689 DZNIAGQLWVEWAW-UHFFFAOYSA-N 423.447 1.694 5 40 HDBB Cc1cccn2c(=O)cc(CN3C(=O)N[C@@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)nc12 12943295 QOJXXOJYPNQZMK-FQEVSTJZSA-N 407.386 1.878 5 40 HDBB CC1CCC(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 7159927 QWDZKXFMIFPOIW-ITMHDFIRSA-N 411.480 1.414 5 40 HDBB Cc1ccc2c(=O)c3c(O)cc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)cc3oc2c1 40267444 GQQZCYCWJFFLPZ-GFCCVEGCSA-N 417.439 1.642 5 40 HDBB CCN(C(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCS(=O)(=O)C1 12985829 KUPOZSYLUWTOTK-ZYHUDNBSSA-N 418.855 1.829 5 40 HDBB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 409252827 FBTWOYDSBLCGOJ-UHFFFAOYSA-N 407.404 1.406 5 40 HDBB O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1 3040479 KFHBEVLVEBPREH-HOTGVXAUSA-N 405.319 1.185 5 40 HDBB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 12914997 QQHXRBMXZBPLCF-UHFFFAOYSA-N 405.432 1.546 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 95545627 AGRZNUDYTXAQTF-ZDUSSCGKSA-N 402.407 1.981 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 103561504 VHNIXYXGZOURIT-HOCLYGCPSA-N 412.314 1.804 5 40 HDBB CN(C)CCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 10111363 ASNWBDJUHZYBJS-UHFFFAOYSA-N 420.491 1.858 5 40 HDBB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 4313838 AUDMXWSEKZUZOP-TXEJJXNPSA-N 403.391 1.524 5 40 HDBB O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 7499620 WZVOUMUVOXGHDJ-UHFFFAOYSA-N 404.448 1.707 5 40 HDBB O=[N+]([O-])c1ccc(N2CC(Oc3ccccc3)C2)c(S(=O)(=O)N2CCOCC2)c1 65622269 VLZKTWJJJBJLRW-UHFFFAOYSA-N 419.459 1.883 5 40 HDBB COC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 106757862 NVOTVKFYDZFMNY-ZROIWOOFSA-N 407.404 1.641 5 40 HDBB CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NC)[C@H]1CCS(=O)(=O)C1 12554172 IESINVODAIYFLS-AAEUAGOBSA-N 413.452 1.217 5 40 HDBB O=C(COc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)Cc2ccccc2)CC1 7890862 RXUTUHQQBIMFKI-UHFFFAOYSA-N 419.459 1.648 5 40 HDBB CC(C)CN(C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 23540311 NFCVIRMABMQORE-HNNXBMFYSA-N 412.464 1.352 5 40 HDBB O=c1c2cc3c(=O)n(-c4ccn[nH]4)ccc3nc2ccn1CCCN1CCOCC1 40399058 FYBJQGUAPJTOFU-UHFFFAOYSA-N 406.446 1.146 5 40 HDBB Cn1cnnc1SCc1cc(=O)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)co1 10220371 XFCWXOGYPJNQHH-UHFFFAOYSA-N 417.403 1.986 5 40 HDBB O=C(NC[C@H]1CC[C@]2(COCCN(Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1 306144544 ZIIDYCAAAGBDRQ-ACJLOTCBSA-N 406.395 1.356 5 40 HDBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3228062 DGSSJWKQMBFWBL-UHFFFAOYSA-N 406.416 1.973 5 40 HDBB CN(C(=O)COc1cc(O)c2c(=O)c3ccccc3oc2c1)[C@@H]1CCS(=O)(=O)C1 13722134 HOWHBZUQIGVMTE-GFCCVEGCSA-N 417.439 1.676 5 40 HDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NCCc1ccccc1 15278013 GGTIUZCSWICMDI-UHFFFAOYSA-N 413.430 1.947 5 40 HDBB CC(C)Cn1c(SCCn2cc([N+](=O)[O-])ccc2=O)nnc1N1CCOCC1 89856669 QMKNNZXTJSZHPL-UHFFFAOYSA-N 408.484 1.633 5 40 HDBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(C)=O 101155543 YXJSFTCKGOITMR-LYLVPTPKSA-N 424.457 1.761 5 40 HDBB O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H]1COc2ccccc2O1 3307492 PNPPECQNVVTFDQ-JEJOPICUSA-N 412.354 1.634 5 40 HDBB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 6715449 KDNHHIBAWOXFEM-UHFFFAOYSA-N 404.448 1.929 5 40 HDBB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2cccc([N+](=O)[O-])c2)cc1 10042619 XMQZJXPNLFQQTJ-UHFFFAOYSA-N 421.431 1.041 5 40 HDBB NC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)COc2ccc(Cl)cc2Cl)c1=O 12768503 SORHUGMJMTTYIG-JTQLQIEISA-N 402.190 1.602 5 40 HDBB CCCS(=O)(=O)N[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 65566099 LNGOKYJWQFAIMS-ZDUSSCGKSA-N 407.452 1.324 5 40 HDBB COC[C@@H](O)CN1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 95444754 MNHIWJWSVREHLA-LBPRGKRZSA-N 423.438 1.475 5 40 HDBB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1[N+](=O)[O-] 12640475 ODGYQPPEZMNVNS-UHFFFAOYSA-N 415.333 1.902 5 40 HDBB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71980124 PJTGLRNCMMTYRW-CQSZACIVSA-N 408.367 1.241 5 40 HDBB NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 66043293 SGCZWCVVDHUZFH-OAHLLOKOSA-N 409.402 1.531 5 40 HDBB CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc([N+](=O)[O-])cc2-n2cnnn2)c1C 95401132 HVYNVLCXBSAIIB-UHFFFAOYSA-N 414.378 1.954 5 40 HDBB Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] 558749101 MJBARMFNQLXRDD-LLVKDONJSA-N 402.333 1.907 5 40 HDBB O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccc1[N+](=O)[O-] 19991256 DRQRMIZJRVKYMS-NRFANRHFSA-N 411.414 1.692 5 40 HDBB Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC(C(N)=O)CC3)c(O)n2n1 37355757 MOKCBFGBANNBIA-AWEZNQCLSA-N 416.463 2.000 5 40 HDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 40115823 SZEZVBBKKUSWNA-KGLIPLIRSA-N 403.826 1.200 5 40 HDBB CCCCSCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 24553883 AEGHMQAJQQOVAO-UHFFFAOYSA-N 401.510 1.961 5 40 HDBB COc1ccc(S(=O)(=O)NCCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 32809361 TWKBSIZTNCRKSD-UHFFFAOYSA-N 405.432 1.861 5 40 HDBB CCOC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3cccc(C)c3)C(=O)[C@@H]12 16682649 YMBFBDYKMJKHOI-IERDGZPVSA-N 422.397 1.810 5 40 HDBB CCNC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 26711220 CKBXDOTZMQCSRR-UHFFFAOYSA-N 412.512 1.978 5 40 HDBB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 8721701 YOAVCFSGOGJDHZ-QFBVAWSSSA-N 418.789 1.781 5 40 HDBB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1[N+](=O)[O-] 10834155 ZZZBTYADSDRNLQ-CYBMUJFWSA-N 411.411 1.955 5 40 HDBB CCCCn1nnc(N(C(=O)c2ccc([N+](=O)[O-])o2)C(=O)c2ccc([N+](=O)[O-])o2)n1 12860886 GQRRHFUJSLZFQZ-UHFFFAOYSA-N 419.310 1.963 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2cnn(C)c2)CC1 25305035 HFANGNQEMFLDRB-UHFFFAOYSA-N 407.452 1.676 5 40 HDBB CC(=O)C[C@H](OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 33783082 XFNFWGILTSMFKI-QRXRQMIZSA-N 414.370 1.319 5 40 HDBB CCc1ccc(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 941644 FYKOMQSMIWECLQ-UHFFFAOYSA-N 411.370 1.935 5 40 HDBB O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)NC(=O)[C@H]1COc2ccccc2O1 3307496 PNPPECQNVVTFDQ-PYUISTEWSA-N 412.354 1.634 5 40 HDBB CN(C(=O)COc1cc(O)c2c(=O)c3ccccc3oc2c1)[C@H]1CCS(=O)(=O)C1 13722137 HOWHBZUQIGVMTE-LBPRGKRZSA-N 417.439 1.676 5 40 HDBB NC(=O)C[C@H](NC(=O)Oc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409002513 ODZXBMLYOQQANI-HNNXBMFYSA-N 415.358 1.353 5 40 HDBB CCOC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3cccc(C)c3)C(=O)[C@@H]12 16682650 YMBFBDYKMJKHOI-IIBYNOLFSA-N 422.397 1.810 5 40 HDBB O=C(Cn1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])o1)CSC2)NC[C@@H]1CCCO1 23139168 JRXPEUGHARRCAT-JTQLQIEISA-N 421.435 1.679 5 40 HDBB CCOC(=O)c1cc(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)cc([N+](=O)[O-])c1 62580344 WTCYCAJWNCNIMZ-UHFFFAOYSA-N 414.374 1.239 5 40 HDBB CN1CCN(C)[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 95432335 VBYWZGSLGMXWAB-SNVBAGLBSA-N 405.680 1.986 5 40 HDBB O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 2786785 ANSXETODJRKQJK-UHFFFAOYSA-N 405.432 1.507 5 40 HDBB CCOc1ccccc1N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 6319352 GIANEBTWZBSNIS-UHFFFAOYSA-N 406.464 1.968 5 40 HDBB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C(N)=O)cc1[N+](=O)[O-] 10810139 OWDXIBGZXGVUFM-GFCCVEGCSA-N 411.418 1.894 5 40 HDBB CC(=O)O[C@@H]1CO[C@@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 6073937 VCVRZLCSAQZAAQ-NCXUSEDFSA-N 420.374 1.873 5 40 HDBB O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1CN(c1ccc([N+](=O)[O-])cc1)CN=2 8818286 HQZSDIIRSICIPK-SXGWCWSVSA-N 411.399 1.610 5 40 HDBB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1 32081041 WJJOXQMUUKXWLL-NSHDSACASA-N 405.388 1.833 5 40 HDBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1 100961950 IXQKZKXFKWDJRZ-SJORKVTESA-N 408.374 1.835 5 40 HDBB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]12 408734593 ZAEKDVHAEUYCJO-VZAMPYOESA-N 409.192 1.553 5 40 HDBB CCN(CC)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 5952391 KAFYWMZPVJNHMN-QGZVFWFLSA-N 412.512 1.596 5 40 HDBB COc1cc(C[C@@]2(c3cccc([N+](=O)[O-])c3)NC(N)=NC2=O)cc(OC)c1OC 71974741 WMIFVJOKPVJMKF-IBGZPJMESA-N 400.391 1.503 5 40 HDBB COc1cc2ncn(C[C@H](O)COc3cccc([N+](=O)[O-])c3)c(=O)c2cc1OC 24984968 IREHJEYAEHOBJR-ZDUSSCGKSA-N 401.375 1.762 5 40 HDBB Cc1cn2nc(N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)sc2n1 45723827 RPVJPEYXLWWDHK-UHFFFAOYSA-N 408.465 1.518 5 40 HDBB CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCn2ccnc2)c1=N 100630715 NHZNDDQDRURFAW-UHFFFAOYSA-N 405.462 1.474 5 40 HDBB O=c1nc2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2nc1Cc1ccc(F)cc1 1867116 YGMBBYYEPGXQCF-YBEGLDIGSA-N 410.386 1.697 5 40 HDBB COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(C)c2=N)cc1 100754817 OQAIQDGLKUFVLE-UHFFFAOYSA-N 403.442 1.647 5 40 HDBB biogenic Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CCO)c2=N)cc1C 100942198 OHQUBTYZGZRDLL-UHFFFAOYSA-N 424.482 1.571 5 40 HDBB COC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 409026118 GVACEWGWYIASAX-UHFFFAOYSA-N 407.404 1.786 5 40 HDBB Cc1cccc(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C 941645 KLKWCJIJEZBERP-UHFFFAOYSA-N 411.370 1.990 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 8850781 UWZSQEJSFNNEGX-IMQJOWEQSA-N 423.447 1.928 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O 10324775 YBLKUQDGZMOZFN-UHFFFAOYSA-N 406.420 1.407 5 40 HDBB Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 2786299 TWEADGKTBDLFGQ-UHFFFAOYSA-N 407.330 1.405 5 40 HDBB COc1ccc(CCNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1OC 3268875 VQILSJZRNNRWMV-UHFFFAOYSA-N 413.386 1.567 5 40 HDBB COc1cc(C[C@]2(c3ccc([N+](=O)[O-])cc3)NC(N)=NC2=O)cc(OC)c1OC 71974612 UXCVZNLUCDDLIR-LJQANCHMSA-N 400.391 1.503 5 40 HDBB COC(=O)CSc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 223140852 YTEDWMIRQQVGBW-UHFFFAOYSA-N 404.451 1.821 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccccc1)S(C)(=O)=O 224057681 IIHJTPAKCLXOML-UHFFFAOYSA-N 407.448 1.864 5 40 HDBB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 22061480 KQCLXNSBRRDFCO-MSOLQXFVSA-N 421.475 1.748 5 40 HDBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 16694636 GFXZEYVZFGYZCO-AWEZNQCLSA-N 420.491 1.594 5 40 HDBB NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 27076015 OEFLGVMKOKDVDW-WNRNVDISSA-N 404.382 1.596 5 40 HDBB CS(=O)(=O)NCCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 40158330 AEJVIIXAYYFMHU-UHFFFAOYSA-N 410.418 1.675 5 40 HDBB O=C(CNS(=O)(=O)c1ccccc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 2663659 GAOGSWPDTZPQJC-UHFFFAOYSA-N 408.388 1.483 5 40 HDBB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 165681778 VNYLEGAURWSVPH-NXKWAJLKSA-N 401.375 1.108 5 40 HDBB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 83952369 GZFFZXPOADJTFW-UHFFFAOYSA-N 417.451 1.927 5 40 HDBB O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 858095 IANBDZPKJSKICM-WBVHZDCISA-N 414.370 1.955 5 40 HDBB Cc1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C(=O)O)n[nH]1 409189304 PCBLMWACZXGWHX-XNTDXEJSSA-N 404.452 1.991 5 40 HDBB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 12531530 BJUJKGYJNCVILZ-GJZGRUSLSA-N 404.375 1.680 5 40 HDBB Cc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 12632274 MMXZBFFAOISXCY-UHFFFAOYSA-N 407.434 1.906 5 40 HDBB CN(C)C(=O)CN[C@@H]1CCCC[C@]12CN(Cc1ccc(O)c([N+](=O)[O-])c1)CCO2 306123784 AWPJOBHAFLWNEK-QUCCMNQESA-N 406.483 1.492 5 40 HDBB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 4323154 PSAJYSIYXOSCQZ-UHFFFAOYSA-N 418.475 1.477 5 40 HDBB CCOc1cc(C(=O)N2CCC(NS(=O)(=O)CC)CC2)c([N+](=O)[O-])cc1OC 32928660 YBCUSSCAOVUULQ-UHFFFAOYSA-N 415.468 1.546 5 40 HDBB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c([N+](=O)[O-])c1 102592281 ZPAJTGLQEDDWHE-STQMWFEESA-N 419.390 1.260 5 40 HDBB COc1ccc(CNC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])cc1OC 3509504 ZAKJJRZLEZAWIA-UHFFFAOYSA-N 404.375 1.850 5 40 HDBB CC(C)[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 8774306 JQFREAXOBBFZBZ-CYBMUJFWSA-N 415.468 1.155 5 40 HDBB O=C(CN1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1)Nc1ccc(OC(F)(F)F)cc1 40115434 GQOMLUNGWZNELW-KBPBESRZSA-N 416.356 1.333 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]2C1=O 103965799 KVPGGKDRJGYGJE-GOEBONIOSA-N 412.314 1.804 5 40 HDBB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 4207988 ROJRGBOTBCBWAG-GGNLRSJOSA-N 400.387 1.742 5 40 HDBB Cc1nc(CCCNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1 72307470 VAFAAOCKGKVQQT-UHFFFAOYSA-N 404.246 1.695 5 40 HDBB COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1[N+](=O)[O-] 214274424 TVVOXQNNQPFRGZ-NTEUORMPSA-N 407.404 1.499 5 40 HDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccnc1 2720508 WROXGXCJJGHQPJ-MOHJPFBDSA-N 403.398 1.499 5 40 HDBB Cc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 13002580 MSEBZELZUKHOOK-UHFFFAOYSA-N 419.459 1.854 5 40 HDBB Cc1nn(CS(=O)(=O)CC(=O)NCc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] 17082079 IGASGAAYWGZIKL-UHFFFAOYSA-N 400.844 1.750 5 40 HDBB Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CS(N)(=O)=O)c1 89575519 VPALLLIYVPPBFZ-UHFFFAOYSA-N 401.422 1.198 5 40 HDBB O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@]2(F)CN(Cc3ccccc3)C(=O)[C@]2(F)C1 306123660 ATGKJMKFZXSBBW-QZTJIDSGSA-N 405.361 1.093 5 40 HDBB COc1cc(C(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c(OC)c1OC 32430760 MTNDEQCKLWVPPU-AVGNSLFASA-N 411.455 1.848 5 40 HDBB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 1547205990 ONNUDULBLMXRDQ-PMPSAXMXSA-N 422.441 1.755 5 40 HDBB biogenic C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 6097866 WJCLGZQFNXYALI-SNVBAGLBSA-N 409.782 1.819 5 40 HDBB NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl 9714696 MGLQLDIOQSBNSE-UHFFFAOYSA-N 413.795 1.691 5 40 HDBB CCOC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3cccc(C)c3)C(=O)[C@H]12 16682647 YMBFBDYKMJKHOI-KKSFZXQISA-N 422.397 1.810 5 40 HDBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCn2ccnc2)c1=N 100848185 SUQBZMYJBOSYLM-UHFFFAOYSA-N 406.446 1.901 5 40 HDBB Cc1c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1-c1ccc(O)nn1 12783633 FJHNELYPENYZLK-UHFFFAOYSA-N 409.406 1.547 5 40 HDBB NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 33362045 OEFLGVMKOKDVDW-XLAORIBOSA-N 404.382 1.596 5 40 HDBB COCCCn1c(-c2ccc([N+](=O)[O-])cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 1875403 AZTMLJCLEGJXRA-UHFFFAOYSA-N 412.406 1.298 5 40 HDBB CCCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 33899565 QBKUGEQRWWMBFE-UHFFFAOYSA-N 421.523 1.755 5 40 HDBB O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 32809370 UOZRKVQMZWREKE-UHFFFAOYSA-N 410.390 1.291 5 40 HDBB COC(=O)C1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)CC1 220034654 DOJORPWHLTVOFL-UHFFFAOYSA-N 413.452 1.081 5 40 HDBB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 4313840 AUDMXWSEKZUZOP-RYUDHWBXSA-N 403.391 1.524 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCc1ccccc1)S(C)(=O)=O 13855986 HMFUXVCQGYQWII-UHFFFAOYSA-N 407.448 1.728 5 40 HDBB O=C(CN1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1)NC1CC1 29967928 PPLGSNCRGMPRRK-UHFFFAOYSA-N 417.344 1.922 5 40 HDBB Cn1c(=O)n(C)c2cc(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)ccc21 58115382 QKNBRBJBSAIINN-UHFFFAOYSA-N 411.374 1.149 5 40 HDBB C[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220414664 UPZFKVWPLGSQTI-LLVKDONJSA-N 406.420 1.487 5 40 HDBB NC(=O)NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3299352 YHNHDXUYQJUXRE-UHFFFAOYSA-N 405.750 1.831 5 40 HDBB CN1CCN(n2c3c(c(SCc4ccc([N+](=O)[O-])cc4)nc2=O)CCC3)CC1 10255144 MMNGOSQTHDFNMI-UHFFFAOYSA-N 401.492 1.816 5 40 HDBB O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 26533389 NYQKIMQDSDIMFJ-QGZVFWFLSA-N 415.446 1.881 5 40 HDBB COCCCOC1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 72311769 BZWRWKBRXAIYKU-SFHVURJKSA-N 405.451 1.772 5 40 HDBB Nc1nc(NCCOCCO)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 5164688 IYJKYHMXLOYAPM-UHFFFAOYSA-N 416.482 1.847 5 40 HDBB CNS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 226862513 GRXCFLUOGMLYDE-UHFFFAOYSA-N 403.413 1.751 5 40 HDBB Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCO)c2=N)cc1 100869846 NPYGVNHHVLBFRA-UHFFFAOYSA-N 417.469 1.668 5 40 HDBB CC[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222525998 WNIJYUGRIRSJBI-MRXNPFEDSA-N 420.447 1.877 5 40 HDBB O=C(COC(=O)CNC(=O)c1ccc([N+](=O)[O-])o1)Nc1ncc(Cl)cc1Cl 3376666 OMWIOIIBXJUDSR-UHFFFAOYSA-N 417.161 1.801 5 40 HDBB CN(C)S(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3555587 BWDNFLVFGUDIKE-UHFFFAOYSA-N 420.447 1.604 5 40 HDBB COc1cc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c(C)cc1[N+](=O)[O-] 9283290 BYFKHDBCAKLVOC-UHFFFAOYSA-N 414.378 1.762 5 40 HDBB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] 13676323 PSQWJQRLJKBGHO-UHFFFAOYSA-N 411.461 1.597 5 40 HDBB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCCNc3ccccc3[N+](=O)[O-])c(C)c12 40086821 VOKJZUMZTIBUKU-UHFFFAOYSA-N 412.450 1.948 5 40 HDBB COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224759818 QCIANINWRWDVJR-UHFFFAOYSA-N 408.388 1.750 5 40 HDBB CN1CCN(c2cc3c(cc2NC(=O)c2ccccc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 408531717 LHPZVBITNXVKBA-UHFFFAOYSA-N 424.461 1.789 5 40 HDBB COc1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] 13148406 VHSMIRFMJACAFM-UHFFFAOYSA-N 409.376 1.046 5 40 HDBB Cn1nc(C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1=O 20915313 HGTOWQKMLASTGY-UHFFFAOYSA-N 414.399 1.774 5 40 HDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CN3C(=O)COc4ccccc43)cc21 408599850 MQEGNTKIXUYOSS-UHFFFAOYSA-N 411.374 1.149 5 40 HDBB CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 4899898 USMAYZXZOMUBJX-HOTGVXAUSA-N 410.496 1.932 5 40 HDBB in-vitro C[C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 12659715 HPKKNWRCPQYJSR-IIAWOOMASA-N 411.480 1.774 5 40 HDBB Cn1ncc2c(N3CCN(C(=O)c4ccc(Cl)cc4[N+](=O)[O-])CC3)ncnc21 12874845 ACVZXUJQPPFAQY-UHFFFAOYSA-N 401.814 1.887 5 40 HDBB O=C(COc1cc(O)c2c(=O)c3ccccc3oc2c1)N[C@H]1CCS(=O)(=O)C1 13683935 JPTFXZSFCAMMRS-NSHDSACASA-N 403.412 1.334 5 40 HDBB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1[N+](=O)[O-] 31998255 LIMBVKGJKJTGJA-UHFFFAOYSA-N 406.420 1.145 5 40 HDBB Cc1ccc2c(=O)c3ccc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)cc3oc2c1 41128036 DAPANICJJXNENL-CYBMUJFWSA-N 401.440 1.937 5 40 HDBB CC(C)CN(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 8825928 BPHHCZHIQMMFFG-ZDUSSCGKSA-N 413.452 1.006 5 40 HDBB CCCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1CCOC 103628425 IFQASFSYGKVPAT-NMWGTECJSA-N 412.446 1.700 5 40 HDBB Cc1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C 9987914 VDRYNAKTRJINPO-UHFFFAOYSA-N 415.449 1.660 5 40 HDBB CNc1cc(N2CCC[C@H]2CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])ncn1 95467712 PBVWPINEJKQMIN-NSHDSACASA-N 407.456 1.155 5 40 HDBB O=C(CN1N=N[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21)Nc1cccc(F)c1 100961507 JPEASLOFECOCME-HZPDHXFCSA-N 412.337 1.666 5 40 HDBB O=[N+]([O-])c1cc(Br)c(OCCOCCO)cc1OCCOCCO 1615773713 OLHJQEDVACCQIJ-UHFFFAOYSA-N 410.217 1.133 5 40 HDBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(=O)[nH]c1 3299924 ADDLKBMLGILEMP-UHFFFAOYSA-N 406.401 1.825 5 40 HDBB O=C1NCCCC[C@H]1Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 4139576 PEXZHGUIYBDPEN-RCDWFSIISA-N 410.430 1.987 5 40 HDBB Cc1cc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)ccc1[N+](=O)[O-] 12617500 SLTVDFBRDMOQSC-UHFFFAOYSA-N 413.459 1.931 5 40 HDBB COc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1O 24842678 DAOZOJAZDBODNR-UHFFFAOYSA-N 421.431 1.456 5 40 HDBB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 48253362 OMDYKKXQGJOIAZ-UHFFFAOYSA-N 404.379 1.559 5 40 HDBB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 165687092 UUPUPVLTVRFZNQ-GNTOHDJUSA-N 415.402 1.416 5 40 HDBB CCCn1nnnc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br 17089748 OAGCDGAJZAJFJT-UHFFFAOYSA-N 414.245 1.881 5 40 HDBB O=C1C[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(N3CCCCC3)[nH]c2=O)N1 22609943 LMKBPILYCXYRSX-NSHDSACASA-N 412.406 1.733 5 40 HDBB O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 23106828 HFAHLWWEDPAINU-HNNXBMFYSA-N 404.448 1.785 5 40 HDBB CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 12984769 BKPAAGXCYMVJME-AWEZNQCLSA-N 412.512 1.433 5 40 HDBB O=C1NC(=O)[C@@H]2[C@@H]1[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)Nc1ccc([N+](=O)[O-])cc1 247319801 LGKILSCEMDIKSY-WNRNVDISSA-N 404.382 1.706 5 40 HDBB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 10543711 DLKJPNXJLOUMPJ-UHFFFAOYSA-N 411.461 1.597 5 40 HDBB COCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)n1 40399007 RZGNZZNMMYFJPZ-UHFFFAOYSA-N 415.413 1.408 5 40 HDBB CCOC(=O)[C@@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 57531321 XZZYHXVFWLICKF-MISXGVKJSA-N 407.301 1.427 5 40 HDBB CC1CCC(NS(=O)(=O)c2ccc(N(C)C[C@H](O)CO)c([N+](=O)[O-])c2)CC1 95456945 IBMXLUPYKFQNIN-RUXDESIVSA-N 401.485 1.241 5 40 HDBB CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCS(=O)(=O)C1 12884656 XLGGVPQICBOREX-PWSUYJOCSA-N 418.855 1.829 5 40 HDBB CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 30030084 BGFNAYCECZYZOQ-GOSISDBHSA-N 410.430 1.836 5 40 HDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 89781043 RFQSBWVGVBAWBN-UHFFFAOYSA-N 420.403 1.650 5 40 HDBB CCOC(=O)C(C(=O)OCC)[C@H](O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 100076870 VGQUAYHYNMIPAJ-GFCCVEGCSA-N 401.284 1.187 5 40 HDBB Cc1c(C(=O)N(C)C)sc2ncn3nc(CCn4cc([N+](=O)[O-])cn4)nc3c12 2791544 HJDLLTYRPDRKDZ-UHFFFAOYSA-N 400.424 1.697 5 40 HDBB CN1CCN(S(=O)(=O)c2ccc(NCCc3ccccc3O)c([N+](=O)[O-])c2)CC1 40149341 KTIWLNFZOPTRLA-UHFFFAOYSA-N 420.491 1.891 5 40 HDBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 6227486 MOBJOODSBQFBFK-HNNXBMFYSA-N 411.370 1.514 5 40 HDBB COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)NC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 106860531 AJUHDECPDYJCMW-OWTLIXCDSA-N 420.422 1.194 5 40 HDBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2nnc(C)s2)c1 408691395 ZRJHNICIQMDBSQ-UHFFFAOYSA-N 423.407 1.664 5 40 HDBB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] 9587152 UCEWHVQARRLIPS-UHFFFAOYSA-N 421.431 1.949 5 40 HDBB C[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408657430 KCCCZOPOOBRPET-UKTVDESPSA-N 413.386 1.272 5 40 HDBB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 899683 COZCEDAUAXZHCZ-UHFFFAOYSA-N 405.432 1.750 5 40 HDBB COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2N)cc1 9781732 RIEZQJWJACOJAE-UHFFFAOYSA-N 418.387 1.838 5 40 HDBB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 13005508 OLTPGELEQQAFIY-UHFFFAOYSA-N 405.498 1.304 5 40 HDBB Cc1c(N(CC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220034785 XWFGHASCFCLMGV-UHFFFAOYSA-N 420.491 1.922 5 40 HDBB O=C(NC[C@H]1CCCO1)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 4979814 CVIFNYRJFKKFCG-IAGOWNOFSA-N 403.435 1.569 5 40 HDBB O=C(CN1CCN(Cn2cccc([N+](=O)[O-])c2=O)CC1)Nc1ccccc1Cl 58161879 XQUXAPPDMYBRLI-UHFFFAOYSA-N 405.842 1.624 5 40 HDBB CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 12412781 BHFYKFSRXRQPCG-CYBMUJFWSA-N 422.777 1.951 5 40 HDBB biogenic,in-vitro C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 408975056 JHJDZSXFBBIKDU-APYUEPQZSA-N 409.192 1.553 5 40 HDBB O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN(c2ccc(F)cc2)CC1 7282825 YBDWJOQWELATHV-UHFFFAOYSA-N 400.366 1.991 5 40 HDBB COc1ccc(CCNC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC 12760418 LWRUSUGRPQXIDE-LPHOPBHVSA-N 419.434 1.548 5 40 HDBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2cn3ccccc3n2)CC1 12628117 ZYFOWCSUBUCHLF-UHFFFAOYSA-N 416.463 1.212 5 40 HDBB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 27054703 XRVBCFQSZNTVLY-UHFFFAOYSA-N 413.217 1.821 5 40 HDBB CNS(=O)(=O)c1ccc(NC[C@]2(N3CCOCC3)CCSC2)c([N+](=O)[O-])c1 29625877 LOKDXACHANKBPO-MRXNPFEDSA-N 416.525 1.123 5 40 HDBB COc1ccc(CCNC(=O)c2nc(Cn3ccc([N+](=O)[O-])n3)no2)cc1OC 12371317 WAEGKJDGCPGLHI-UHFFFAOYSA-N 402.367 1.212 5 40 HDBB O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 19991044 IYCNTPSBZJQPLK-NRFANRHFSA-N 411.414 1.692 5 40 HDBB O=C(OCC(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1)c1ccc([N+](=O)[O-])o1 21469779 SFKHSUQZRTUXTL-CYBMUJFWSA-N 406.372 1.689 5 40 HDBB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 102280450 GPYPOZKSQLSDIM-TXEJJXNPSA-N 423.809 1.905 5 40 HDBB O=C(CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O)Nc1ccccc1F 409199827 FBQMHBRWOFMLIZ-RIYZIHGNSA-N 400.322 1.971 5 40 HDBB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 24816231 DBUIKMNFOIOHDN-UHFFFAOYSA-N 410.390 1.895 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 102753574 SLKXOQKYDNXEGO-AOINNMSFSA-N 406.398 1.848 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O 113937494 BJHQQCDCQOKXOW-UHFFFAOYSA-N 422.419 1.107 5 40 HDBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O 409246850 FILLVAAYDXGVPB-UKTHLTGXSA-N 412.358 1.840 5 40 HDBB O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCCCC1 13041958 NBAUKZCJZHGSOF-UHFFFAOYSA-N 410.496 1.304 5 40 HDBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H]1CCOC1=O 6464760 UXKDWXRKAPLQQE-STQMWFEESA-N 416.839 1.958 5 40 HDBB CN(C)C(=O)COC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9986097 ROPDGRXHOOPDCB-UHFFFAOYSA-N 408.388 1.608 5 40 HDBB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 12914998 VDQSHEIRUJKKOA-UHFFFAOYSA-N 414.827 1.299 5 40 HDBB O=C(CN1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1)Nc1ccccc1C(F)(F)F 40115889 CUUNWIMZQAIKKJ-FZMZJTMJSA-N 400.357 1.453 5 40 HDBB CN(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCS(=O)(=O)C1 95462287 GEJWJAFLTBDYAG-GFCCVEGCSA-N 404.876 1.831 5 40 HDBB COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)NC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 106860528 AJUHDECPDYJCMW-UHXUPSOCSA-N 420.422 1.194 5 40 HDBB COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 408548140 DMKNHDQQUKXTBW-MDWZMJQESA-N 401.331 1.929 5 40 HDBB O=C(CNC(=O)c1ccc(N2C(=O)CCC2=O)cc1)OCc1ccc([N+](=O)[O-])cc1 8405431 IAGPNQODJNDOLX-UHFFFAOYSA-N 411.370 1.721 5 40 HDBB CCOc1ccc(NC(=O)C[C@H](NCCCN2CCOCC2)C(=O)O)c([N+](=O)[O-])c1 22997099 MAVJQEPYOIDNOM-INIZCTEOSA-N 424.454 1.087 5 40 HDBB COc1cc(/C=C/C(=O)N[C@H](C(=O)O)[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1O 5484141 FMHGCRUGDMNGPT-JFDVKVQISA-N 402.359 1.625 5 40 HDBB Cc1nn(C(=O)COc2ccccc2[N+](=O)[O-])c(C)c1S(=O)(=O)N1CCOCC1 16976009 TZDJIRWFLRXJMY-UHFFFAOYSA-N 424.435 1.148 5 40 HDBB O=C1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 20800115 FFUOXAFTTJHULD-CYBMUJFWSA-N 412.406 1.733 5 40 HDBB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 22061463 RYOJHRLNSNIXAS-QGZVFWFLSA-N 421.475 1.730 5 40 HDBB O=C(CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 52395473 GCCGBIYEPDLTQE-ZETCQYMHSA-N 415.777 1.982 5 40 HDBB COCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)c1=N 100813231 LDRXKXCNOOIKAI-UHFFFAOYSA-N 407.430 1.455 5 40 HDBB C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408657428 KCCCZOPOOBRPET-BTDZUBADSA-N 413.386 1.272 5 40 HDBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] 9120345 AEKCIJZRWZGMQH-UHFFFAOYSA-N 413.795 1.842 5 40 HDBB C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCc2ccccc21 9283257 DCQPAYIMJGUTCC-LBPRGKRZSA-N 423.381 1.712 5 40 HDBB CSc1nnc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 225765657 VSRRFPKYJPQETE-MRVPVSSYSA-N 417.494 1.961 5 40 HDBB O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)NCc1ccc2c(c1)OCO2 5400864 ZYYUHLFVYGUSEW-UHFFFAOYSA-N 408.370 1.864 5 40 HDBB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)C1 32081704 FXCNWCIJTSOZKP-JTQLQIEISA-N 423.378 1.972 5 40 HDBB CCOCCCn1/c(=N\C(C)=O)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101092026 OKUWPICMSLXCLZ-QOCHGBHMSA-N 412.446 1.700 5 40 HDBB CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286309 MEEINSPAACUKNK-QGZVFWFLSA-N 403.439 1.013 5 40 HDBB COC(=O)C1CCN(C(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1 220418695 VVPLWVZHDZDMSV-GFCCVEGCSA-N 413.452 1.161 5 40 HDBB COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(C(C)C)C2=O)OC 9129292 XIVDEFRTNCFKNQ-IBGZPJMESA-N 420.422 1.049 5 40 HDBB Cc1nccn1-c1cc(CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)ccn1 47012683 BLDAPPQGQPPQOX-CYBMUJFWSA-N 408.418 1.919 5 40 HDBB C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 101858860 NHMQUGWTJOIDLJ-JCGIZDLHSA-N 412.446 1.583 5 40 HDBB O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]12 8971604 IIWQSFYIIPFJMB-KXBFYZLASA-N 400.460 1.902 5 40 HDBB C[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101146072 IJTIAMMDASPHNP-KMNSEVKQSA-N 400.387 1.740 5 40 HDBB CC1CCC(NS(=O)(=O)c2ccc(N3C[C@H](O)C[C@H]3CO)c([N+](=O)[O-])c2)CC1 108143748 ZNDNRYUQUWWGHV-PFSRBDOWSA-N 413.496 1.384 5 40 HDBB COc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220026637 OHRUGGVMCWXQCU-UHFFFAOYSA-N 407.448 1.994 5 40 HDBB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1C[C@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 604405475 ONNUDULBLMXRDQ-BZUAXINKSA-N 422.441 1.755 5 40 HDBB biogenic O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1 6144190 WBHNRWGAWTUIPK-UHFFFAOYSA-N 406.420 1.792 5 40 HDBB O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 40139086 VIWYSPHQFGNWJU-UHFFFAOYSA-N 419.872 1.039 5 40 HDBB Cc1ccc(S(=O)(=O)NCCNc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 24215663 GUQFDERWGVQGFZ-UHFFFAOYSA-N 403.420 1.302 5 40 HDBB C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 34858952 QERAHHFFANCXIY-CQSZACIVSA-N 410.496 1.348 5 40 HDBB Cc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)no1 8880508 PLVDWMQUQOEHQT-UHFFFAOYSA-N 419.379 1.361 5 40 HDBB CC(=O)N1CCN(C(=O)[C@H](C)N2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)CC1 72308614 IMNAXPSGXWKKKF-HNNXBMFYSA-N 415.494 1.654 5 40 HDBB C[C@H](C(=O)OCC(=O)c1ccc([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 102082925 MZVAJECEFMUBTO-DYGGWLIDSA-N 424.409 1.762 5 40 HDBB CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 223643471 PRQQRYWSBPDCEV-UHFFFAOYSA-N 404.448 1.783 5 40 HDBB COc1ccccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 9926933 VAKGAWRVZJBJRZ-MRXNPFEDSA-N 412.402 1.573 5 40 HDBB CCOC(=O)c1cnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nc1N 24850865 WXHSFOQYYFSTCZ-UHFFFAOYSA-N 407.408 1.883 5 40 HDBB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 9425426 AHQURZWSQXWIBJ-UHFFFAOYSA-N 421.431 1.949 5 40 HDBB CCN1CCN(c2nc(Nc3cc(OC)ccc3OC)nc(N)c2[N+](=O)[O-])CC1 17208363 VARLAEDUOASWLB-UHFFFAOYSA-N 403.443 1.870 5 40 HDBB O=[N+]([O-])c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 1102341 AFELQHMTZXVKMI-UHFFFAOYSA-N 412.445 1.449 5 40 HDBB COc1cc(C=O)ccc1OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 408599220 GAQJCPXOWDWTQQ-UHFFFAOYSA-N 414.374 1.624 5 40 HDBB COC(=O)CNC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 2626506 CYZFOJYKSGWCPE-UHFFFAOYSA-N 408.388 1.574 5 40 HDBB COc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c([N+](=O)[O-])cc1OC 3365320 VVQGDZDEINYQBC-UHFFFAOYSA-N 415.358 1.754 5 40 HDBB O=C(Cn1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])o1)CSC2)NC[C@H]1CCCO1 23139172 JRXPEUGHARRCAT-SNVBAGLBSA-N 421.435 1.679 5 40 HDBB CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24096838 VOROYRZBNVVDOT-UHFFFAOYSA-N 422.445 1.831 5 40 HDBB COC(=O)C1=NN(c2ccc(OC)cc2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 100982791 IUQYWVDVJJKIQI-NVXWUHKLSA-N 424.369 1.511 5 40 HDBB CCSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 224206916 HKZVRFPJYRCICB-UHFFFAOYSA-N 417.494 1.963 5 40 HDBB CN(C)C(=O)CN[C@H]1CCCC[C@]12CN(Cc1cc([N+](=O)[O-])ccc1F)CCO2 306136750 QCKNBZIHWFKDSI-ICSRJNTNSA-N 408.474 1.925 5 40 HDBB O=C(N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O)C1(n2cnnn2)CCCCC1 1547205830 PMVPEWMVPCQCDP-KGLIPLIRSA-N 413.438 1.048 5 40 HDBB biogenic CN(CCc1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 6911119 VGAFKURZWARGFH-UHFFFAOYSA-N 406.464 1.690 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O 103965791 KVPGGKDRJGYGJE-HOCLYGCPSA-N 412.314 1.804 5 40 HDBB O=C(NC(=S)Nc1ncccc1O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408626121 ZWOYYXHFUVYGKA-UHFFFAOYSA-N 403.420 1.659 5 40 HDBB O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1cccc([N+](=O)[O-])c1 408997830 JEOPNWHDVUPPFC-WBVHZDCISA-N 414.370 1.955 5 40 HDBB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 10058253 DGVHOXLKRALRTB-UHFFFAOYSA-N 411.397 1.736 5 40 HDBB CCOc1nn(CCCNS(=O)(=O)c2cn(C(F)F)nc2C)cc1[N+](=O)[O-] 36614924 RGPARKYVMIKIQR-UHFFFAOYSA-N 408.387 1.459 5 40 HDBB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1[N+](=O)[O-] 40089796 WHFBXVLNDMYTKA-UHFFFAOYSA-N 418.431 1.276 5 40 HDBB CCOC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1=O 408528564 GOKZAMWVPLSYTN-MLPAPPSSSA-N 420.403 1.385 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC[C@@H](O)COCC1CC1 58157317 BZRJNOKTWHRUDZ-OAHLLOKOSA-N 413.496 1.969 5 40 HDBB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 96445815 NAERQYNXVOZYOS-TZRIAGMCSA-N 410.474 1.520 5 40 HDBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCc1nc2ccccc2[nH]1 943326 GJACQMDDKOCXLS-UHFFFAOYSA-N 407.386 1.816 5 40 HDBB CNS(=O)(=O)c1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)c([N+](=O)[O-])c1 95455199 HFQCDTACNVMHND-GFCCVEGCSA-N 406.468 1.813 5 40 HDBB O=C(CSc1nc(=O)n(CCO)c2c1CCC2)Nc1ccc(F)c([N+](=O)[O-])c1 10256635 DDQLLUYPVMBZOQ-UHFFFAOYSA-N 408.411 1.502 5 40 HDBB CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(N(C)C(C)=O)CC1 72307845 ZZDGOEZOAYCUEQ-UHFFFAOYSA-N 400.457 1.224 5 40 HDBB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 102076192 CAXHIPWGGNPINC-BXXLAGKGSA-N 424.409 1.764 5 40 HDBB CCOC(=O)N1CCN(C(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)CC1 8706842 VSEWSLBWOKLHEI-UHFFFAOYSA-N 405.455 1.261 5 40 HDBB Cc1ccc(NC(=N)NC2=N[C@@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3)C(=O)N2)cc1 20799185 HOCCHHWPSKLMNQ-HNNXBMFYSA-N 409.406 1.723 5 40 HDBB Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 12522736 RDYFCJFSZJBZOD-UHFFFAOYSA-N 424.866 1.977 5 40 HDBB COC(=O)C1=NN(c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 16216991 IUQYWVDVJJKIQI-WBVHZDCISA-N 424.369 1.511 5 40 HDBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 224782683 YSAFQQPLVSWGNM-UHFFFAOYSA-N 408.388 1.954 5 40 HDBB Cc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1cccc([N+](=O)[O-])c1)CN=3)C(=O)N2 1860090 CQSRYXWDNJHDST-MSUUIHNZSA-N 421.438 1.332 5 40 HDBB O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 7654022 BTESMOQLMZSIAI-SFHVURJKSA-N 415.446 1.881 5 40 HDBB C[C@@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 9201045 UTHAJJWEHUCCEH-WQVCFCJDSA-N 415.402 1.806 5 40 HDBB Nc1nc(NC[C@@H]2CCCO2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 54147598 JSQFTPXRKKWONE-INIZCTEOSA-N 413.482 1.880 5 40 HDBB Cc1nn(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1[N+](=O)[O-] 36614489 KVQUSRDPVUXSTG-UHFFFAOYSA-N 421.479 1.904 5 40 HDBB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 224200555 ZBHBHRZNKOOCCN-UHFFFAOYSA-N 407.448 1.583 5 40 HDBB COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(C(C)C)C2=O)OC 9129291 XIVDEFRTNCFKNQ-LJQANCHMSA-N 420.422 1.049 5 40 HDBB COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225024282 CUSPQPSSUZWKKI-UHFFFAOYSA-N 410.404 1.980 5 40 HDBB CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 3040518 JSCRYBWZAFNSLA-DLBZAZTESA-N 408.432 1.847 5 40 HDBB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)C2)cc1[N+](=O)[O-] 4155591 TYHDKYXITYHVRL-UHFFFAOYSA-N 411.461 1.556 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CN2CCOCC2)n1C 409216008 HETQJKNYOGMHHH-UHFFFAOYSA-N 406.468 1.595 5 40 HDBB C[C@@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12796269 NRCCCRBPEJIRMZ-NOZJJQNGSA-N 419.843 1.542 5 40 HDBB CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCS(=O)(=O)C1 12884673 XLGGVPQICBOREX-JQWIXIFHSA-N 418.855 1.829 5 40 HDBB CN(C)C(=O)CN[C@H]1CCCC[C@]12CN(Cc1ccc(O)c([N+](=O)[O-])c1)CCO2 306123783 AWPJOBHAFLWNEK-ICSRJNTNSA-N 406.483 1.492 5 40 HDBB Cc1ccc(S(=O)(=O)Nc2ccc3nc4c(=O)n(C)c(=O)n(C)c4nc3c2)cc1 5260168 ZLUYCFOZSNTFPW-UHFFFAOYSA-N 411.443 1.290 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccc2c(c1)OCO2 15379055 LYHYVCDIYIUFHW-UHFFFAOYSA-N 421.431 1.957 5 40 HDBB COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] 3273659 KPDVOCLHHQAEBL-UHFFFAOYSA-N 413.386 1.466 5 40 HDBB O=C1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1c1ccc2c(c1)OCCO2 11665582 BKKVROLJMBRYRV-GFCCVEGCSA-N 419.415 1.450 5 40 HDBB O=C(NC1CCN(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1)c1ccccc1 40024201 QCCHVGALSMWELO-UHFFFAOYSA-N 424.413 1.924 5 40 HDBB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 96445816 NAERQYNXVOZYOS-HNJRGHQBSA-N 410.474 1.520 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H]1CCS(=O)(=O)C1 9847308 SDRYZIIIHHRCEI-LBPRGKRZSA-N 403.482 1.368 5 40 HDBB CC[C@@H](C)N(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 12521865 XKFPCXVKYYOTOW-YPMHNXCESA-N 413.452 1.148 5 40 HDBB CC(C)C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 108022828 AETGQBCJWFEJOR-UHFFFAOYSA-N 421.523 1.611 5 40 HDBB CCOc1ccc(NC(=O)CSc2nnc(Cn3cnc([N+](=O)[O-])n3)n2C)cc1 3624456 RMNKEIIMFNDAKN-UHFFFAOYSA-N 418.439 1.493 5 40 HDBB COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225025018 YLNIFAXVOFYXFY-UHFFFAOYSA-N 410.404 1.980 5 40 HDBB CN(C)CCn1c2c(c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc1=O)CCC2 4851706 CJQKBDYUGYZDSX-UHFFFAOYSA-N 417.491 1.933 5 40 HDBB CC(C)COC[C@H](O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 36393332 AQYMUQVOPZEESE-CQSZACIVSA-N 401.485 1.825 5 40 HDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 58006355 UOZLUEHAAXRMSN-GFCCVEGCSA-N 408.370 1.113 5 40 HDBB C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ncccn2)CC1 32958704 ACSMKPZDAXFGPS-GFCCVEGCSA-N 418.841 1.505 5 40 HDBB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])n1 5958296 BRICPBGXKITSKR-MRXNPFEDSA-N 419.459 1.893 5 40 HDBB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 6097858 WJCLGZQFNXYALI-JTQLQIEISA-N 409.782 1.819 5 40 HDBB COc1cccc([C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])N2CCOCC2)c1 23108061 CMHFMIWULAKMGB-SFHVURJKSA-N 421.475 1.955 5 40 HDBB COC(=O)c1cc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc([N+](=O)[O-])c1 3490108 ZEMCEWYDNWSNTQ-UHFFFAOYSA-N 415.358 1.564 5 40 HDBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c(C)c1 5864441 DMMOMIIXLIDHOS-UHFFFAOYSA-N 418.475 1.821 5 40 HDBB COC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 16362893 KUZCJKJFGSBDBN-DOTOQJQBSA-N 408.370 1.810 5 40 HDBB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 22061466 RYOJHRLNSNIXAS-KRWDZBQOSA-N 421.475 1.730 5 40 HDBB COc1cc([N+](=O)[O-])cc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)oc12 26843147 JLYDKRIDFYNCSB-UHFFFAOYSA-N 419.371 1.610 5 40 HDBB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 165681893 VNYLEGAURWSVPH-BHWMQLMCSA-N 401.375 1.108 5 40 HDBB CNS(=O)(=O)c1ccc(NC[C@@]2(N3CCOCC3)CCSC2)c([N+](=O)[O-])c1 29625875 LOKDXACHANKBPO-INIZCTEOSA-N 416.525 1.123 5 40 HDBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(F)cc1 941638 TUSPVJGYLMLHFM-UHFFFAOYSA-N 401.306 1.512 5 40 HDBB Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 2783643 CWYRYFKYJSCEFE-UHFFFAOYSA-N 419.459 1.815 5 40 HDBB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1 95450503 JURBLADZJKOUOB-VIFPVBQESA-N 406.258 1.967 5 40 HDBB CC(C)Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C 10386030 XAZAQHUQCBYJSL-UHFFFAOYSA-N 417.447 1.963 5 40 HDBB CN1C(=O)C[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cnn(-c2ccc(F)cc2)c1 577675417 VAOPOIWRWKEUSY-KPZWWZAWSA-N 411.397 2.341 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 8850783 UWZSQEJSFNNEGX-PCJJGOFDSA-N 423.447 1.928 5 40 HDBB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 22413232 CINRMPVCTHXAJZ-UHFFFAOYSA-N 423.447 1.702 5 40 HDBB O=C1CCc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3NCCO)c(F)cc2N1 48235688 OFHDOFRMTKXYBS-UHFFFAOYSA-N 424.410 1.824 5 40 HDBB COc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C)c2=N)cc1 101144552 HXEJQIOWNBKTJH-UHFFFAOYSA-N 403.442 1.913 5 40 HDBB COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113894048 XDEALGPESCNRLT-UHFFFAOYSA-N 410.404 1.980 5 40 HDBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccccc1 408639744 YLSZADXVGFRLTG-CQSZACIVSA-N 411.370 1.514 5 40 HDBB Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 8721922 SSTUTSIJCQKTCZ-UHFFFAOYSA-N 408.392 1.431 5 40 HDBB CCOC(=O)COc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1OCC 59109358 NHXLFUXNNTVBMO-FNORWQNLSA-N 405.363 1.895 5 40 HDBB CN(C)CCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1722756 AZGHFGGFCSSMRZ-UHFFFAOYSA-N 420.491 1.907 5 40 HDBB CCS(=O)(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9721087 RWUOYOBLEKEZSN-UHFFFAOYSA-N 412.346 1.994 5 40 HDBB COCCOc1cc(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)ccn1 96008304 QPUNTAOZUVFGLR-LJQANCHMSA-N 400.391 1.982 5 40 HDBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O 409240000 PEBZWLWXIBHRKD-MDWZMJQESA-N 412.358 1.840 5 40 HDBB C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]12 5377704 VIXMBQCARUTQKT-ZETOZRRWSA-N 402.407 1.170 5 40 HDBB NC(=O)[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 95415868 GQNNQOALMAICRB-ZIAGYGMSSA-N 412.468 1.072 5 40 HDBB COc1cccc(N2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)c1 7284960 DRFKNAMLIRXBAS-UHFFFAOYSA-N 412.402 1.860 5 40 HDBB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 12640941 BPJNULDJASFUES-GJZGRUSLSA-N 402.359 1.456 5 40 HDBB CCOC(=O)C(C(=O)OCC)[C@@H](O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 100076871 VGQUAYHYNMIPAJ-LBPRGKRZSA-N 401.284 1.187 5 40 HDBB O=C(Cn1nc(O)c2ccccc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5827484 JBYCRAOLYVZIPQ-UHFFFAOYSA-N 409.402 1.359 5 40 HDBB Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 9850366 HCVYWFOHBSWZHB-UHFFFAOYSA-N 413.477 1.468 5 40 HDBB NC(=O)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 95415869 GQNNQOALMAICRB-KGLIPLIRSA-N 412.468 1.072 5 40 HDBB C[C@@H](C(=O)OCC(=O)c1ccc([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 102082931 MZVAJECEFMUBTO-ZYXOPKNHSA-N 424.409 1.762 5 40 HDBB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1=O 9284681 OKSZGNIBWZTAAO-IBGZPJMESA-N 412.358 1.729 5 40 HDBB C[C@H](OC(=O)Cn1nc(O)c2ccccc2c1=O)C(=O)Nc1ccccc1[N+](=O)[O-] 9032648 WCVVULPWRAGUAW-NSHDSACASA-N 412.358 1.581 5 40 HDBB C[C@]1(c2ccccn2)NC(=O)N(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 32913346 WZQXHMMVQLMORU-HXUWFJFHSA-N 410.434 1.537 5 40 HDBB CCSc1n[nH]c(-n2ccc3nc4ccn(CCCOC)c(=O)c4cc3c2=O)n1 40398919 GCTJWDDZAHROFM-UHFFFAOYSA-N 412.475 1.967 5 40 HDBB CNC(=O)[C@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccccc1 89568470 GZROOOYLOLRAOP-GOSISDBHSA-N 421.413 1.666 5 40 HDBB COC(=O)CNC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[S@](=O)Cc1ccccc1 8955565 WQLJEPCRHZSYFJ-LJAQVGFWSA-N 421.387 1.714 5 40 HDBB COc1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c([N+](=O)[O-])c1 9579871 PLPBUQVNRPEMDR-UHFFFAOYSA-N 400.303 1.746 5 40 HDBB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 97569665 BPJNULDJASFUES-GASCZTMLSA-N 402.359 1.456 5 40 HDBB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21)Nc1ccccc1[N+](=O)[O-] 100962764 XGBZEDPPWSTLIU-JKSUJKDBSA-N 412.337 1.666 5 40 HDBB COc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 223775867 RBINDGRCQCLJSB-UHFFFAOYSA-N 423.447 1.565 5 40 HDBB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1 408962091 GLRTWCVXSZTXOV-ZSOIEALJSA-N 412.358 1.840 5 40 HDBB O=C(N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2)C1(n2cnnn2)CCCCC1 604405529 PMVPEWMVPCQCDP-KBPBESRZSA-N 413.438 1.048 5 40 HDBB biogenic Cc1csc2nc(CN3C(=O)N[C@@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)cc(=O)n12 10536755 XRBLMGPWSCLBLA-SFHVURJKSA-N 413.415 1.940 5 40 HDBB NC(=O)c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 12528184 CMHLAWXOECVPHJ-UHFFFAOYSA-N 404.448 1.346 5 40 HDBB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c([N+](=O)[O-])cc1C 102592317 GJLVFBYNYMDACS-OKILXGFUSA-N 417.418 1.869 5 40 HDBB COc1ccc(S(=O)(=O)NCCNc2ncnc3sccc23)cc1[N+](=O)[O-] 32927551 AUYJSNYJEATAIO-UHFFFAOYSA-N 409.449 1.999 5 40 HDBB COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13039274 LFHINQSWHODWMY-UHFFFAOYSA-N 419.438 1.366 5 40 HDBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 15912532 QRRZVXBKOKYCND-UHFFFAOYSA-N 423.403 1.768 5 40 HDBB COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224745990 OHTZOSPFHZPIMZ-UHFFFAOYSA-N 408.388 1.750 5 40 HDBB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2cccnc2)CC1 4306447 AECOFYKKAMRGPX-SFHVURJKSA-N 412.450 1.033 5 40 HDBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])NCc1ccco1 9691643 MAKYCVJVFKYFGU-UHFFFAOYSA-N 409.420 1.668 5 40 HDBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NC[C@@H]1CCCO1 881579 UGSBMYIHSMCNKB-AWEZNQCLSA-N 407.452 1.690 5 40 HDBB CNS(=O)(=O)c1ccc(NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 12557824 SKQICFDODXMPQC-BETUJISGSA-N 400.501 1.803 5 40 HDBB O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C(=O)N1 17014261 IPYSYVUCZZMGFX-WMLDXEAASA-N 406.398 1.866 5 40 HDBB C[C@H](OC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCCCC1 24843551 XSFRPCKPPSPRTH-NEPJUHHUSA-N 417.418 1.960 5 40 HDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(C)=O 101176896 JQGXMMHWQSIFLE-QOCHGBHMSA-N 406.398 1.914 5 40 HDBB COCCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1722755 GAYPYHNATGYKBI-UHFFFAOYSA-N 407.448 1.992 5 40 HDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCN(C(=O)c4ccccc4F)CC3)cc21 13633059 HPCVEYQMCDAPRR-UHFFFAOYSA-N 413.409 1.887 5 40 HDBB CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 27053894 RCUXBJZOXPKJED-UHFFFAOYSA-N 410.333 1.115 5 40 HDBB Cc1ccc(NC(=N)NC2=N[C@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3)C(=O)N2)cc1 20799189 HOCCHHWPSKLMNQ-OAHLLOKOSA-N 409.406 1.723 5 40 HDBB O=C(NCC(F)(F)F)C1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 48288022 QWPVCHGEDNDETK-UHFFFAOYSA-N 402.329 1.851 5 40 HDBB O=C(c1cc(-c2ccncc2)[nH]n1)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 604404184 DWHFZJFLHKXWKT-JSGCOSHPSA-N 406.402 1.801 5 40 HDBB biogenic O=C(Cn1nnc(-c2cccs2)n1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 9255385 VLSAASYDAYZMQF-UHFFFAOYSA-N 403.376 1.920 5 40 HDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ccccc2F)CC1 5899492 WIPIWKYENJMMFM-UHFFFAOYSA-N 412.377 1.679 5 40 HDBB CC(C)C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)O 9422585 WMQITUWFZHUMPA-CQSZACIVSA-N 401.441 1.527 5 40 HDBB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 4207985 ROJRGBOTBCBWAG-WVMBZCLNSA-N 400.387 1.742 5 40 HDBB O=C(OCCOCCNC1=NS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 59417232 RYNLHNAACYDSDZ-UHFFFAOYSA-N 419.415 1.507 5 40 HDBB COC[C@H](C)NS(=O)(=O)c1ccc(Nc2nc(C(F)(F)F)n[nH]2)c([N+](=O)[O-])c1 32911764 HPOODJCRFKOHRY-ZETCQYMHSA-N 424.361 1.789 5 40 HDBB O=C(NC(=S)NCc1cccnc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408621176 LHSDEUAHQOLYOG-UHFFFAOYSA-N 401.448 1.631 5 40 HDBB CC(=O)COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 6313112 LTDXUFQLSMVPOH-UHFFFAOYSA-N 404.828 1.781 5 40 HDBB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 89486455 VWKKHWXDFJUNIB-VIFPVBQESA-N 406.258 1.967 5 40 HDBB Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](CN2CCN(C)CC2)O3)cc1[N+](=O)[O-] 503772196 WOZLDERNTQYNSF-SFHVURJKSA-N 402.495 1.914 5 40 HDBB O=[N+]([O-])c1ccc(Sc2nc(C3CC3)n[nH]2)c(S(=O)(=O)N2CCOCC2)c1 12845247 DXWROSGLDOGBHT-UHFFFAOYSA-N 411.465 1.762 5 40 HDBB NC(=O)CO[C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 72312702 BIZRQIWZNXQWEK-LLVKDONJSA-N 404.345 1.518 5 40 HDBB CCn1/c(=N/C(=O)CSCC(=O)N2CCOCC2)sc2cc([N+](=O)[O-])ccc21 100825532 MTIGPDGDDOVBRQ-ZCXUNETKSA-N 424.504 1.650 5 40 HDBB O=C(C1=NO[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1ccc([N+](=O)[O-])cc1 18206344 OHFWWHNIWSUOME-XJKSGUPXSA-N 410.298 1.630 5 40 HDBB C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=S)N(C)C3=O)[C@@H]2C1 6669703 KLLYTEPSLGRWKC-NHYWBVRUSA-N 402.476 1.958 5 40 HDBB COC(=O)c1cccnc1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12775451 YBCKLQVQEPQICZ-UHFFFAOYSA-N 406.420 1.287 5 40 HDBB Cc1nccn1-c1cc(CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)ccn1 47012685 BLDAPPQGQPPQOX-ZDUSSCGKSA-N 408.418 1.919 5 40 HDBB CS(=O)(=O)c1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 3358436 LWTJIOGVECDZQY-UHFFFAOYSA-N 404.356 1.409 5 40 HDBB COC(=O)CSc1nnc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)s1 223132355 XPLSBLUOJAIXQC-UHFFFAOYSA-N 414.421 1.738 5 40 HDBB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cccnc1[N+](=O)[O-] 9119452 CJWAVGJWUNOBES-UHFFFAOYSA-N 410.408 1.266 5 40 HDBB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 9882350 IKCRTGFSZWPKOX-UHFFFAOYSA-N 421.431 1.877 5 40 HDBB CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1 32906039 SRCKOANNGLJJKT-CYBMUJFWSA-N 409.468 1.916 5 40 HDBB C[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4157459 IJTIAMMDASPHNP-OBWXAGNPSA-N 400.387 1.740 5 40 HDBB CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)CCn1nc(C)c([N+](=O)[O-])c1C 23022601 VJDAVDVQCSTQCL-OAHLLOKOSA-N 424.479 1.900 5 40 HDBB CCOC(=O)CN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 84765649 DWVAMEOKBZEZCR-UHFFFAOYSA-N 401.441 1.005 5 40 HDBB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 102629078 IEVFBIHHVIHAHP-RPLLJCPNSA-N 400.387 1.660 5 40 HDBB CC[N+](C)(CC)CCOc1ccc(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 8616178 ZPHNHKTXXRNOAL-UHFFFAOYSA-O 400.503 1.416 5 40 HDBB O=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 15928831 BZRLXYQBXMQZSP-UHFFFAOYSA-N 415.431 1.618 5 40 HDBB CCCn1c(N)c(N(CCOC)C(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)c(=O)[nH]c1=O 40140739 XQMCSJKMNCVQCL-UHFFFAOYSA-N 423.401 1.178 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 8850786 UWZSQEJSFNNEGX-ZEWFUEFWSA-N 423.447 1.928 5 40 HDBB CCn1ncc([N+](=O)[O-])c1C(=O)Nc1nc2ccccc2n1CCN1CCOCC1 17089523 LYLRUFWZLFQRLV-UHFFFAOYSA-N 413.438 1.745 5 40 HDBB C[C@@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 24831152 ZFLMANQQUMSMSS-SNVBAGLBSA-N 423.403 1.419 5 40 HDBB CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1 55246753 JITQOXBPJHLUPR-QRWLVFNGSA-N 415.450 1.135 5 40 HDBB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286305 URRFGNDBJMIEHV-MRXNPFEDSA-N 406.464 1.815 5 40 HDBB Cc1nn(CC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-] 7780182 OWEHQIUEIVQGAG-MRXNPFEDSA-N 406.464 1.624 5 40 HDBB CCOC(=O)C1=NO[C@H](CNC(=O)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 4040930 KJQUAJVRBBLVNR-INIZCTEOSA-N 404.423 1.635 5 40 HDBB CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccc(OC)cc2)c1=N 100810419 LBNLSNKPUMDYHG-UHFFFAOYSA-N 403.442 1.854 5 40 HDBB Cn1c(=O)n(CC(=O)Nc2ccccc2[N+](=O)[O-])c(=O)c2ccc(C(F)(F)F)nc21 40127909 PHYAHCKRDWBIED-UHFFFAOYSA-N 423.307 1.661 5 40 HDBB CN(CCO)c1cc(N2CCN(C(=O)c3ccco3)CC2)c2nonc2c1[N+](=O)[O-] 8830477 QFZNNKQLVVYZDY-UHFFFAOYSA-N 416.394 1.115 5 40 HDBB C[C@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 9201036 UTHAJJWEHUCCEH-VBNZEHGJSA-N 415.402 1.806 5 40 HDBB O=C(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 858096 IANBDZPKJSKICM-NVXWUHKLSA-N 414.370 1.955 5 40 HDBB COCCn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc21 101110724 QLROUSVMLBEULB-UHFFFAOYSA-N 421.432 1.844 5 40 HDBB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 408975059 JHJDZSXFBBIKDU-VZAMPYOESA-N 409.192 1.553 5 40 HDBB O=[N+]([O-])c1ccccc1N(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1ccccc1 19882259 DMWNKPHJXKKLSB-INIZCTEOSA-N 421.475 1.483 5 40 HDBB O=C1CCC(=O)N1CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 28081565 PGXJVBHJQPJTDQ-UHFFFAOYSA-N 400.357 1.885 5 40 HDBB CC(C)NC(=O)CN(C)C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 95448037 KWGHPANRLXBSJV-UHFFFAOYSA-N 407.427 1.564 5 40 HDBB CC(C)(C)[C@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O 95993323 IXCJXXULVUITFR-AAEUAGOBSA-N 400.453 1.784 5 40 HDBB CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 15024204 JITQOXBPJHLUPR-YWZLYKJASA-N 415.450 1.135 5 40 HDBB O=c1c([N+](=O)[O-])c(NCCCN2CCN(c3ncccn3)CC2)nc2ccccn12 24759247 RPGXAFCLHAUCFU-UHFFFAOYSA-N 410.438 1.017 5 40 HDBB O=C(CNC(=O)OCc1ccccc1)NCC(=O)OCc1ccc([N+](=O)[O-])cc1 5603313 FAWWGNIGFCAOLA-UHFFFAOYSA-N 401.375 1.681 5 40 HDBB CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 9571147 QZTIYDXRJWNBBS-UHFFFAOYSA-N 404.408 1.448 5 40 HDBB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 16130097 WCSKRBAKSHQFOS-UHFFFAOYSA-N 403.413 1.785 5 40 HDBB CN(C)CCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 20085885 QAELVTFUPOUGSE-UHFFFAOYSA-N 420.491 1.858 5 40 HDBB CCOc1nn(CCCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)cc1[N+](=O)[O-] 36614837 GCOIDTHDAVHICM-UHFFFAOYSA-N 422.414 1.767 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 138305526 SLKXOQKYDNXEGO-WSLRVYHESA-N 406.398 1.848 5 40 HDBB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 408592339 MFCDJVOVTGLZBR-WUXMJOGZSA-N 414.330 1.768 5 40 HDBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCN1C(=O)c2ccccc2S1(=O)=O 9085021 BLNCNNVWRABZOW-UHFFFAOYSA-N 401.356 1.036 5 40 HDBB CNC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1 48346178 BBMDVSQWKFPROD-AWEZNQCLSA-N 414.393 1.763 5 40 HDBB CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(OC)cc2)c1=N 100925859 AZIDKDZHBCHBHV-UHFFFAOYSA-N 403.442 1.935 5 40 HDBB O=C(Cn1cnc([N+](=O)[O-])c1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 24834755 GRQSJGWOUPEMDW-UHFFFAOYSA-N 419.463 1.555 5 40 HDBB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1[N+](=O)[O-] 102592286 ZIURPXKVOFZGSJ-OKILXGFUSA-N 403.391 1.560 5 40 HDBB NS(=O)(=O)c1ccc(CNC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 9288403 WKZSHGONLMOPDT-UHFFFAOYSA-N 421.460 1.527 5 40 HDBB CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 12526111 VGSWHGFNXJFNLN-UHFFFAOYSA-N 417.421 1.057 5 40 HDBB CNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 22278885 YVWQTTGLGOUMAM-UHFFFAOYSA-N 409.420 1.553 5 40 HDBB COc1cccc([C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)N2CCOCC2)c1 23108054 WMRCKZCDGSSFCS-LJQANCHMSA-N 421.475 1.955 5 40 HDBB O=C(CCn1nnc2ccccc2c1=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 48306347 NIBGOMBWKHXQNC-UHFFFAOYSA-N 408.418 1.439 5 40 HDBB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1 35461850 YNYGHXKQBKUAIJ-UHFFFAOYSA-N 404.448 1.783 5 40 HDBB Cc1nn(CC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c(C)c1[N+](=O)[O-] 41329024 SEGBLZXDSCVFAM-UHFFFAOYSA-N 404.446 1.486 5 40 HDBB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8643672 OHMHMXQWYFUDNB-LBPRGKRZSA-N 423.381 1.712 5 40 HDBB CC1=C(C(=O)OCCO[N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1 68606453 BAYMJBBLIJJTSR-CQSZACIVSA-N 408.323 1.815 5 40 HDBB biogenic O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 6597616 RJAOONCIKVTNNM-GJZGRUSLSA-N 401.375 1.418 5 40 HDBB CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 28268151 FKFVTKWQBYVFKD-UHFFFAOYSA-N 407.452 1.851 5 40 HDBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NCC(F)(F)F)cc1[N+](=O)[O-] 3395931 PWMIAPZUKGJMMM-UHFFFAOYSA-N 419.341 1.710 5 40 HDBB CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 7238837 VFTXLYMPGUXUQF-UHFFFAOYSA-N 401.375 1.905 5 40 HDBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O 10188062 MCEKNSGFQDKHMS-JTQLQIEISA-N 405.388 1.775 5 40 HDBB Cc1ccccc1-c1nnn(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 12644314 WYMDPJWNTAXOMV-UHFFFAOYSA-N 407.434 1.906 5 40 HDBB COc1cc(CCNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC 12934885 AHBNOOQTOICYGI-RYUDHWBXSA-N 403.457 1.098 5 40 HDBB NCCNCCNCc1c2ccccc2c(CNCCNCCN)c2ccccc12 22863770 SLYMIILEPURRQM-UHFFFAOYSA-N 408.594 1.269 5 40 HDBB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1 25124037 LEAOFHDBFMRCRZ-UHFFFAOYSA-N 409.468 1.120 5 40 HDBB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21)Nc1ccccc1[N+](=O)[O-] 100962772 XGBZEDPPWSTLIU-HZPDHXFCSA-N 412.337 1.666 5 40 HDBB COc1cc(OC)cc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)s2)c1 105632059 TZBLRJHDPKHQMX-VUBDVVNRSA-N 412.423 1.854 5 40 HDBB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 12769123 VBEGKVZKXYCFDA-OAHLLOKOSA-N 405.432 1.465 5 40 HDBB O=C1NC(=O)C2(CCN(C(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)CC2)N1 24960697 VXKRJFGEFLFDPN-UHFFFAOYSA-N 415.450 1.789 5 40 HDBB O=C(NCc1cccnc1N1CCOCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 33017474 LHXRJZCHOPWSFS-UHFFFAOYSA-N 408.418 1.942 5 40 HDBB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 102283147 BJUJKGYJNCVILZ-HUUCEWRRSA-N 404.375 1.680 5 40 HDBB COC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OC 9472180 DERPYVWALNEHPB-NHCYSSNCSA-N 410.429 1.913 5 40 HDBB CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NC)[C@H]1CCS(=O)(=O)C1 12554168 IESINVODAIYFLS-YPMHNXCESA-N 413.452 1.217 5 40 HDBB O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 16043635 QLMJBQZRJGXYSR-UHFFFAOYSA-N 406.420 1.272 5 40 HDBB Cc1nn(C[C@@H](C)C(=O)Nn2c(S)nc3ccccc3c2=O)c(C)c1[N+](=O)[O-] 102002733 HCZXQKCEWPTGDE-SECBINFHSA-N 402.436 1.813 5 40 HDBB CC(C)CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 6753955 XVAVQEMCYSMREY-INIZCTEOSA-N 411.480 1.386 5 40 HDBB O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(F)c([N+](=O)[O-])c1 6946279 FHHDPTYDMXZVEO-UHFFFAOYSA-N 400.322 1.626 5 40 HDBB CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc1 13523207 QIYZSRZPNFOSRE-UHFFFAOYSA-N 409.420 1.841 5 40 HDBB CNS(=O)(=O)c1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)c([N+](=O)[O-])c1 95455198 HFQCDTACNVMHND-LBPRGKRZSA-N 406.468 1.813 5 40 HDBB COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1O 214294315 FLMQWTKIVXZGTF-NTUHNPAUSA-N 423.403 1.204 5 40 HDBB COc1cc(/C=C/C(=O)N[C@@H](C(=O)O)[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1O 5484153 FMHGCRUGDMNGPT-VZUWTINFSA-N 402.359 1.625 5 40 HDBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1c[nH]c(=O)[nH]c1=O)C2=O 3154437 CYVUDLZPMUGSTB-UHFFFAOYSA-N 406.310 1.003 5 40 HDBB COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 12950482 CFZVXGZWPNXCRC-LBPRGKRZSA-N 408.750 1.561 5 40 HDBB C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4157455 GKWWSMLMOAPXHH-OBWXAGNPSA-N 400.387 1.740 5 40 HDBB O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 58208887 PBJCPHNMRIXAPK-UHFFFAOYSA-N 418.475 1.799 5 40 HDBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2[C@@H](C)O1 13135577 VIXMBQCARUTQKT-RWSFTLGLSA-N 402.407 1.170 5 40 HDBB Cn1cc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 21839925 XZLMLPVCIMMZLV-CYBMUJFWSA-N 413.452 1.048 5 40 HDBB O=C(O)CCc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cc1 23144686 MUVDKIIKMKAPRQ-UHFFFAOYSA-N 409.420 1.817 5 40 HDBB O=C(C1CC1)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 12526781 MFPIITBNVBROME-UHFFFAOYSA-N 407.370 1.947 5 40 HDBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(N)=O)[C@@H]2C1=O 15996340 AEDRUXHQYQPUDY-MANSERQUSA-N 418.409 1.904 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(N)=O)[C@@H]2C1=O 101342677 KEKUGUJXCCMEHX-AITUJVMLSA-N 418.409 1.778 5 40 HDBB COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)NC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 106860529 AJUHDECPDYJCMW-MNXVOIDGSA-N 420.422 1.194 5 40 HDBB CC(C)COC[C@@H](O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 36393333 AQYMUQVOPZEESE-AWEZNQCLSA-N 401.485 1.825 5 40 HDBB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 43727027 OEFLGVMKOKDVDW-MHORFTMASA-N 404.382 1.596 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1nnc2ccccn12 9509654 XDSTXXJMVVCHQS-UHFFFAOYSA-N 421.460 1.810 5 40 HDBB Cn1c(=O)c2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)ccnc2n(C)c1=O 10217043 VSXLLWFJSSNDQT-UHFFFAOYSA-N 401.404 1.271 5 40 HDBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)N[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 102255321 RRPBDMOQEUVBAR-CPUCHLNUSA-N 424.548 1.964 5 40 HDBB Cc1ccc(NC(=N)NC2=N[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2)cc1 20799181 KUWPNZTXBHJKIW-OAHLLOKOSA-N 409.406 1.723 5 40 HDBB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2[N+](=O)[O-])nn1 2298124440 DNMDEBNSQPPJME-UHFFFAOYSA-N 413.390 1.756 5 40 HDBB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 10452634 ZDCMTYZLFOWOIF-UHFFFAOYSA-N 412.324 1.872 5 40 HDBB O=C(NCc1ccc(N2CCOCC2)nc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 11153383 FAEYAXFPSGXYEO-UHFFFAOYSA-N 400.391 1.528 5 40 HDBB COc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(F)cc2)c(C)cc1[N+](=O)[O-] 16044035 UDHDEAISKVFDNQ-UHFFFAOYSA-N 419.365 1.963 5 40 HDBB COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(N3CCCC3)cc2)c1=O 44712367 YHASIFUMEZCSTI-UHFFFAOYSA-N 400.391 1.782 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C1=O 101038256 VHNIXYXGZOURIT-ZBFHGGJFSA-N 412.314 1.804 5 40 HDBB CC(C)NC(=O)NC(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 5693716 OOWNYNSWIZGXQG-UHFFFAOYSA-N 406.317 1.803 5 40 HDBB Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc(Cc2ccccc2)c1=O 27546348 CQDBSJQXILPTNC-UHFFFAOYSA-N 412.431 1.582 5 40 HDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)CC 103628564 OKTSKJJNYZJUHR-NMWGTECJSA-N 412.446 1.700 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C(N)=O)cc1)S(C)(=O)=O 10313952 URGGQIIRBFXZLX-UHFFFAOYSA-N 406.420 1.407 5 40 HDBB O=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 15928337 HHDOUGKUQUVMOD-UHFFFAOYSA-N 415.431 1.618 5 40 HDBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 8745653 PQNMKORSCLANCR-CYBMUJFWSA-N 420.495 1.944 5 40 HDBB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1ccc([N+](=O)[O-])o1)n2CCC 9507495 QVRJWAAURHDVBA-UHFFFAOYSA-N 419.394 1.955 5 40 HDBB CCc1cc(=O)[nH]c(NC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 57721322 CLRJWGSYXITWNE-UHFFFAOYSA-N 407.452 1.506 5 40 HDBB Cc1ccc(NC(=N)NC2=N[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2)cc1 20799177 KUWPNZTXBHJKIW-HNNXBMFYSA-N 409.406 1.723 5 40 HDBB CC(=O)c1ccc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)c(F)c1 24991024 JFZHIXLMLKXPTP-UHFFFAOYSA-N 402.382 1.447 5 40 HDBB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71980123 PJTGLRNCMMTYRW-AWEZNQCLSA-N 408.367 1.241 5 40 HDBB CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@H](C)[C@@H]32)C1=O 102785419 XFCKPAHRJYWKFD-VIIZEREPSA-N 416.434 1.608 5 40 HDBB O=Cc1ccc(N=c2[nH]c(N3CCOCC3)nc(=Nc3ccccc3)[nH]2)c([N+](=O)[O-])c1 408674991 OIMVWKMNIRIEIX-UHFFFAOYSA-N 421.417 1.760 5 40 HDBB O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)OCc1ccc([N+](=O)[O-])cc1 6526751 VPEYEAJFGOUKFT-UHFFFAOYSA-N 405.794 1.838 5 40 HDBB CCN(C(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 12893572 RXASUQCXDJVDDD-JQWIXIFHSA-N 418.855 1.829 5 40 HDBB O=C1NCCCC[C@@H]1Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 105732819 PEXZHGUIYBDPEN-LMVJKFGMSA-N 410.430 1.987 5 40 HDBB COc1cc2ncn(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)c(=O)c2cc1OC 24984963 IREHJEYAEHOBJR-CYBMUJFWSA-N 401.375 1.762 5 40 HDBB CC(C)CN(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 8825927 BPHHCZHIQMMFFG-CYBMUJFWSA-N 413.452 1.006 5 40 HDBB O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]12 8971602 IIWQSFYIIPFJMB-HNAYVOBHSA-N 400.460 1.902 5 40 HDBB COc1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2F)c([N+](=O)[O-])c1 5889946 RCQXTSOKXZYXPT-UHFFFAOYSA-N 405.338 1.654 5 40 HDBB CN(C)S(=O)(=O)c1cccc(NC(=S)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 9539575 JYNYDDIKSUWQSV-MRXNPFEDSA-N 424.504 1.865 5 40 HDBB O=C1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCN1 17818613 FPNNZGMJVRHVMF-UHFFFAOYSA-N 405.414 1.948 5 40 HDBB CNc1ccc(C(=O)NCCCN(Cc2cccnc2)S(C)(=O)=O)cc1[N+](=O)[O-] 32927984 OHHIFEZUAINDPB-UHFFFAOYSA-N 421.479 1.613 5 40 HDBB COc1nn(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] 36614448 PHQFRHNWKNNRGP-UHFFFAOYSA-N 423.451 1.295 5 40 HDBB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@H](O)c1ccc([N+](=O)[O-])cc1 9243171 YGFJKHWZAUJYFA-AWEZNQCLSA-N 414.422 1.055 5 40 HDBB C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 12996103 MIQZZZUSWDELKT-GVAFMPQTSA-N 415.402 1.805 5 40 HDBB Nc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1[N+](=O)[O-] 8780456 LPAFJJMPOMVDBO-UHFFFAOYSA-N 418.431 1.380 5 40 HDBB CNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)s1 23141752 LKBHWTRYHVROKE-UHFFFAOYSA-N 422.492 1.247 5 40 HDBB CC[C@H](C)N(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 12521864 XKFPCXVKYYOTOW-WCQYABFASA-N 413.452 1.148 5 40 HDBB O=c1c2cc3c(=O)n(-c4ccccn4)ccc3nc2ccn1CCN1CCOCC1 38829011 OCOLJQIWJWEYGT-UHFFFAOYSA-N 403.442 1.428 5 40 HDBB C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2ncnc3c2cnn3C)CC1 12928573 PBBNXSZLHAQSTI-CYBMUJFWSA-N 410.438 1.421 5 40 HDBB CC(=O)C[C@H](OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 409337126 XFNFWGILTSMFKI-QOSLBHJFSA-N 414.370 1.319 5 40 HDBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N(C)C 3280436 VUXPOMZWANWSBP-CYBMUJFWSA-N 417.871 1.731 5 40 HDBB O=C(Cn1cnc([N+](=O)[O-])c1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 12740117 RRYDNTOPZTYYNU-UHFFFAOYSA-N 419.463 1.555 5 40 HDBB COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2cccc(N3CCCC3=O)c2)c1=O 48300678 QSJKUUUTGUNTES-UHFFFAOYSA-N 414.374 1.309 5 40 HDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)C(C)C 103628415 FATGERWQVOAZHJ-NKFKGCMQSA-N 412.446 1.556 5 40 HDBB COc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc[nH]2)cc1[N+](=O)[O-] 13135079 NTJVWDXQBNZOSS-UHFFFAOYSA-N 411.392 1.026 5 40 HDBB O=C(Nc1ccccc1[N+](=O)[O-])C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23105410 SXLRWBDHNBBVNR-UHFFFAOYSA-N 412.402 1.606 5 40 HDBB CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 40111552 XIPHLRORHZSRGY-UHFFFAOYSA-N 411.462 1.954 5 40 HDBB O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@H]1C[C@H]1[N+](=O)[O-] 40145000 AEOFNPAAOJUJQJ-LSDHHAIUSA-N 419.415 1.862 5 40 HDBB O=C(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OCc1ccc([N+](=O)[O-])cc1 104821602 LNDOFMBMHDNPNP-UHFFFAOYSA-N 404.291 1.884 5 40 HDBB O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c1 533140264 PFLUWCSUUOYMRS-OAGGEKHMSA-N 400.357 1.979 5 40 HDBB COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 3307299 HFPIWLYDAHMHPB-NSHDSACASA-N 424.460 1.187 5 40 HDBB CN1CCN(S(=O)(=O)c2ccc(NCCc3ccccn3)c([N+](=O)[O-])c2)CC1 12633892 MFIKPBUJIUMLEW-UHFFFAOYSA-N 405.480 1.581 5 40 HDBB CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O 95993322 IXCJXXULVUITFR-YPMHNXCESA-N 400.453 1.784 5 40 HDBB Cc1nn(CC(=O)NCCN2CCN(C)C[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] 26149616 IOMIWMQQQKPNCM-GOSISDBHSA-N 400.483 1.513 5 40 HDBB COC[C@@](C)(O)CNC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 78947349 DBDJCNPBZOUISN-KRWDZBQOSA-N 411.436 1.766 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 409408009 BKOYGRFAYVXNSZ-UHFFFAOYSA-N 424.391 1.916 5 40 HDBB Cc1c(CCO)c(=O)n(-c2ccccc2)n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1393676 GHCRWJJZTZBSET-UHFFFAOYSA-N 403.416 1.627 5 40 HDBB O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)OCc1cccc([N+](=O)[O-])c1 6526541 ACHDLRKQCSVKTD-UHFFFAOYSA-N 405.794 1.838 5 40 HDBB Cc1nn(CCCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)c(C)c1[N+](=O)[O-] 36615009 ZNTLIUPSSQLOSU-UHFFFAOYSA-N 406.415 1.985 5 40 HDBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 40012860 WTRWRIMTJGBXQR-MRXNPFEDSA-N 408.436 1.171 5 40 HDBB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 10040832 YHBXWSLLQYCSQE-UHFFFAOYSA-N 421.431 1.041 5 40 HDBB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 12769119 VBEGKVZKXYCFDA-HNNXBMFYSA-N 405.432 1.465 5 40 HDBB O=C1CN(c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cn2)CCN1 32245644 UZZNZAYQXGSMNT-UHFFFAOYSA-N 407.390 1.364 5 40 HDBB O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 49632637 DCAKNOMRQBAGLV-ZIAGYGMSSA-N 407.448 1.884 5 40 HDBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCC2=O)c1 7881746 RWYAABXRTMDOKW-UHFFFAOYSA-N 411.370 1.993 5 40 HDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(S(C)(=O)=O)cc1 58245012 CNWBCUZQVZSDLO-UHFFFAOYSA-N 400.434 1.832 5 40 HDBB COC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3C)C(=O)[C@@H]12 5549159 GNGNRDLEGYZPHX-FOIQADDNSA-N 408.370 1.420 5 40 HDBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O 10188063 MCEKNSGFQDKHMS-SNVBAGLBSA-N 405.388 1.775 5 40 HDBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCO 16031399 RHYKTIDFCSCRPA-NQIIRXRSSA-N 420.425 1.753 5 40 HDBB biogenic Cn1cnc([N+](=O)[O-])c1Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 23619168 VWWBHQFMTJRGGT-UHFFFAOYSA-N 401.408 1.485 5 40 HDBB O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@H]1C[C@@H]1[N+](=O)[O-] 40144996 AEOFNPAAOJUJQJ-GJZGRUSLSA-N 419.415 1.862 5 40 HDBB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408597580 ZLIHILBGGIZFLG-UHFFFAOYSA-N 409.420 1.537 5 40 HDBB C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 2115116 JDELIMGEDZMALB-CYBMUJFWSA-N 400.391 1.909 5 40 HDBB O=C(COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1)NC[C@@H]1CCCO1 408607487 SPJJGXACIHDUDB-GPAKFWEMSA-N 416.390 1.640 5 40 HDBB CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C)C[C@@H]32)C1=O 55232038 NOKXIGUAECPSIN-UZLBHIALSA-N 415.450 1.088 5 40 HDBB COCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccncc5)c(=O)c4cc3c2=O)n1 40399009 FAKYVNITAVFAQD-UHFFFAOYSA-N 415.413 1.408 5 40 HDBB O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 49632638 DCAKNOMRQBAGLV-KBPBESRZSA-N 407.448 1.884 5 40 HDBB COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224754065 JACHPICUBCMPSV-UHFFFAOYSA-N 408.388 1.734 5 40 HDBB O=C(c1ccco1)N1CCN(c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])CC1 13574160 GYJRRRBZOYZAAO-UHFFFAOYSA-N 418.797 1.623 5 40 HDBB Cc1ccc(S(=O)(=O)NCCNc2c(C(=O)O)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59497876 CZPBCSCUQMBHAM-UHFFFAOYSA-N 424.391 1.900 5 40 HDBB CCOC(=O)c1nnc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)s1 79104380 ULTUYDQMZFFSPF-UHFFFAOYSA-N 400.394 1.279 5 40 HDBB COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 4054077 XMRZQULVLRGVHY-UHFFFAOYSA-N 405.432 1.892 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2c(C)nn(C)c2C)CC1 13016506 DVFPGZITZKCIGR-UHFFFAOYSA-N 421.479 1.400 5 40 HDBB COc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 22278903 NQUJAUMZWMFKTO-UHFFFAOYSA-N 423.447 1.896 5 40 HDBB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 23107343 NQWAVKMPBPPPGL-SFHVURJKSA-N 416.409 1.862 5 40 HDBB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220411528 KXJVJIKHWJDVLF-GFCCVEGCSA-N 421.431 1.794 5 40 HDBB CS(=O)(=O)N(CC(=O)NCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 223775584 OAKUIXFNSUOQQD-UHFFFAOYSA-N 407.448 1.694 5 40 HDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc2c(c1)OCO2 9562716 XKBPECMPHQIWDM-UHFFFAOYSA-N 403.347 1.523 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@@H](C)C(=O)NCC(C)C)CC1 14916285 NPOGKEJZABXBQD-HNNXBMFYSA-N 412.512 1.370 5 40 HDBB CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222543309 HKGCIIDUARPMNH-INIZCTEOSA-N 412.512 1.658 5 40 HDBB CCc1cc(N2CCC[C@@H](CNS(N)(=O)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 58283022 OXPWPZBVTGGFSR-ZDUSSCGKSA-N 420.495 1.624 5 40 HDBB O=C(COc1ccccc1F)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 89814461 LTRMWWPZYIHNFR-UHFFFAOYSA-N 423.422 1.646 5 40 HDBB O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 858093 IANBDZPKJSKICM-RDJZCZTQSA-N 414.370 1.955 5 40 HDBB COCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O 8974195 CKRMRMHVHBBTKU-BEFAXECRSA-N 402.407 1.221 5 40 HDBB CC(=O)O[C@@H]1[C@@H](n2ccc3cc([N+](=O)[O-])ccc32)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O 973032 VCVRZLCSAQZAAQ-YRXWBPOGSA-N 420.374 1.873 5 40 HDBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 9245178 QONNZRWBJWQSDL-UHFFFAOYSA-N 415.435 1.081 5 40 HDBB COc1ccccc1Nc1nc(NCCCN2CCOCC2)nc(N)c1[N+](=O)[O-] 20358041 BOGYHZIFXSZBDH-UHFFFAOYSA-N 403.443 1.853 5 40 HDBB CCOC(=O)c1cc(C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)cc([N+](=O)[O-])c1 574657895 JLEXDWARHIQBAI-NSHDSACASA-N 415.406 1.059 5 40 HDBB CN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CCS(=O)(=O)C1 12537925 FJJJWPGSSKNUSU-JTQLQIEISA-N 401.491 1.942 5 40 HDBB Cc1cc(C)n(C[C@H]2CN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CCO2)n1 95455281 FKEMKLWJSPPAJZ-GFCCVEGCSA-N 400.482 1.779 5 40 HDBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 7141083 WQWVALYCTKXNDH-UHFFFAOYSA-N 406.416 1.973 5 40 HDBB O=C(NCc1cccnc1N1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 41525654 OQELJLZVCPGCQZ-UHFFFAOYSA-N 419.825 1.735 5 40 HDBB Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1[N+](=O)[O-] 3409393 PCBHAYIKYIOFOX-UHFFFAOYSA-N 413.481 1.003 5 40 HDBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 4555419 FBSDMNMAFGTIQY-HNNXBMFYSA-N 411.370 1.514 5 40 HDBB CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@@H](C)[C@@H]32)C1=O 9108953 XFCKPAHRJYWKFD-LLHLMSRXSA-N 416.434 1.608 5 40 HDBB CC(C)(C)NS(=O)(=O)c1ccc(NC2CCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 23078091 ROZSLDNGSOCNSY-UHFFFAOYSA-N 413.500 1.033 5 40 HDBB CN1CCN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1 44802879 OFNABDBTGAFRMT-UHFFFAOYSA-N 418.475 1.564 5 40 HDBB CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286417 IMEFHJVFSIXSFC-GOSISDBHSA-N 417.466 1.403 5 40 HDBB C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101146060 GKWWSMLMOAPXHH-KMNSEVKQSA-N 400.387 1.740 5 40 HDBB COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 2786565 AHSGPJPOQMTZNX-UHFFFAOYSA-N 405.432 1.750 5 40 HDBB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 3333668 FSTHPPGADDULEM-UHFFFAOYSA-N 411.461 1.812 5 40 HDBB Cc1ccc(C(=O)NCCNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cn1 9192535 FECHQKZMPFNZBM-UHFFFAOYSA-N 413.434 1.295 5 40 HDBB O=C1N(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2C12OCCO2 28617786 CCDLYQJYWIADIL-UHFFFAOYSA-N 410.430 1.921 5 40 HDBB COC(=O)c1sc2ncn3nc(Cn4cc([N+](=O)[O-])c(OC)n4)nc3c2c1C 2790376 ABYUVCLUGWGQRQ-UHFFFAOYSA-N 403.380 1.596 5 40 HDBB CN(C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCCCC1 3468370 LDLJSVHHYNVIFC-UHFFFAOYSA-N 403.391 1.525 5 40 HDBB O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 19991041 IYCNTPSBZJQPLK-OAQYLSRUSA-N 411.414 1.692 5 40 HDBB CN(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCS(=O)(=O)C1 95462288 GEJWJAFLTBDYAG-LBPRGKRZSA-N 404.876 1.831 5 40 HDBB N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 253561978 CSMAZLGRQNHWAK-MRXNPFEDSA-N 412.406 1.321 5 40 HDBB CNc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 9508308 VGLQBMBNJGQOTH-UHFFFAOYSA-N 408.392 1.079 5 40 HDBB Cc1ccccc1Nc1nc(N)nc(COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)n1 9728244 WPBZEAGNISBTQS-UHFFFAOYSA-N 412.410 1.971 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(-n2cnnn2)c1 9253924 ANQSQQFQQDEAOR-NSHDSACASA-N 412.362 1.763 5 40 HDBB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c([N+](=O)[O-])c1 11027064 DIALLBHJOXQHEI-UHFFFAOYSA-N 421.431 1.877 5 40 HDBB COCCCNc1nc(N)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1 57439455 RXKXBDPHQQECFH-UHFFFAOYSA-N 401.471 1.738 5 40 HDBB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 9284852 JEJVNMVPAGTMCK-UHFFFAOYSA-N 415.333 1.902 5 40 HDBB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 9958329 BQFQZRTYLFWUBN-SECBINFHSA-N 422.423 1.266 5 40 HDBB C[C@H](OC(=O)[C@@H](C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 12996099 MIQZZZUSWDELKT-KOZAUXTDSA-N 415.402 1.805 5 40 HDBB COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 15676510 HIOLOLKUVNKKOF-HNNXBMFYSA-N 408.436 1.661 5 40 HDBB biogenic,in-vitro O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 97412275 JFTBCEAHVDNVEU-CHWSQXEVSA-N 421.381 1.781 5 40 HDBB COCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc21 100826621 DNWNJRFFKPNADN-UHFFFAOYSA-N 410.455 1.608 5 40 HDBB COC(=O)[C@H]1[C@H](C(=O)OC)Sc2[nH]c(=O)sc2[C@H]1c1cccc([N+](=O)[O-])c1 239579108 DERPYVWALNEHPB-HOSYDEDBSA-N 410.429 1.913 5 40 HDBB NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 2556679 AMPDRPZPZHXQHZ-INIZCTEOSA-N 401.375 1.808 5 40 HDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(F)cc1[N+](=O)[O-] 9130630 LQDAUYATUWOXFB-UHFFFAOYSA-N 422.325 1.842 5 40 HDBB CNS(=O)(=O)c1ccc(NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 12557823 SKQICFDODXMPQC-CHWSQXEVSA-N 400.501 1.803 5 40 HDBB NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 444090845 SPOCYZTZKNSMLJ-LLVKDONJSA-N 421.425 1.853 5 40 HDBB O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(N2CCOCC2)cc1 6507692 QLUZJNQGBNKXKG-UHFFFAOYSA-N 415.450 1.886 5 40 HDBB CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)CCn1nc(C)c([N+](=O)[O-])c1C 23022606 VJDAVDVQCSTQCL-HNNXBMFYSA-N 424.479 1.900 5 40 HDBB CCOC(=O)C(C(=O)OCC)[C@H](C[N+](=O)[O-])c1cc(OC)c2c(c1OC)OCO2 66088512 DCFKOKJNBHNPCE-LLVKDONJSA-N 413.379 1.535 5 40 HDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 102076170 IGEOAADQSZCGKZ-QMWCDGKBSA-N 410.382 1.374 5 40 HDBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)NCc2ccco2)c1 408650446 FQOVUTKCEGIZJZ-UHFFFAOYSA-N 405.363 1.775 5 40 HDBB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2cccnc2)CC1 4306449 AECOFYKKAMRGPX-GOSISDBHSA-N 412.450 1.033 5 40 HDBB O=C1Nc2ccccc2/C1=c1/sc2n(c1=O)CN(c1ccc([N+](=O)[O-])cc1)CN=2 5093176 GSWUCKUQLJVQQI-NXVVXOECSA-N 407.411 1.024 5 40 HDBB COc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c1 8157087 IPNYHYIZBVGGTH-FQEVSTJZSA-N 412.402 1.687 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 58026456 OGNJRUIUSFILOI-UHFFFAOYSA-N 423.407 1.911 5 40 HDBB O=C1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 20800107 OGOUVTDSLUUFAC-CYBMUJFWSA-N 412.406 1.733 5 40 HDBB CN(C)C(=O)CN[C@H]1CCCC[C@@]12CN(Cc1ccc(O)c([N+](=O)[O-])c1)CCO2 306123782 AWPJOBHAFLWNEK-AZUAARDMSA-N 406.483 1.492 5 40 HDBB COC[C@H](O)CN1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 95444753 MNHIWJWSVREHLA-GFCCVEGCSA-N 423.438 1.475 5 40 HDBB CC(=O)OCCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc21 16741228 YPNLIJOIDDJYEA-UHFFFAOYSA-N 409.446 1.364 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCc1nnc2n1CCC2 84350880 FEUGLJHIBZXOMI-UHFFFAOYSA-N 420.495 1.962 5 40 HDBB NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c2)cc1 17090123 KIHSJZKEUKONMM-UHFFFAOYSA-N 414.783 1.734 5 40 HDBB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 408668803 VNYLEGAURWSVPH-BNBDDXAPSA-N 401.375 1.108 5 40 HDBB O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 20800119 FFUOXAFTTJHULD-ZDUSSCGKSA-N 412.406 1.733 5 40 HDBB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 12521422 NZZMGGFSGFGHNR-UHFFFAOYSA-N 405.841 1.957 5 40 HDBB NC(=O)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 95415867 GQNNQOALMAICRB-KBPBESRZSA-N 412.468 1.072 5 40 HDBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 8753017 IFWKAZNLZHQIQE-IBGZPJMESA-N 411.374 1.099 5 40 HDBB COCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 22278833 ONPVMXSEWLZPCK-UHFFFAOYSA-N 407.448 1.943 5 40 HDBB CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1 32906040 SRCKOANNGLJJKT-ZDUSSCGKSA-N 409.468 1.916 5 40 HDBB CCn1nnc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 57316569 WQSAOIMLLUYVPZ-UHFFFAOYSA-N 404.456 1.718 5 40 HDBB COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224837868 DBQOKHNBICTSHR-UHFFFAOYSA-N 408.388 1.734 5 40 HDBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)N1CCc2ccccc21 2623871 YBHBXSONKWSHHZ-UHFFFAOYSA-N 423.381 1.713 5 40 HDBB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(C(N)=O)cc1[N+](=O)[O-] 8050715 MPYKXEGNBAJLCY-UHFFFAOYSA-N 413.434 1.605 5 40 HDBB COc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ncn3)CC2)c([N+](=O)[O-])c1 95458376 BGCMWCPVPIFMIK-UHFFFAOYSA-N 413.843 1.558 5 40 HDBB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1cccs1 3363423 AMQOITBLMBLCPT-UHFFFAOYSA-N 411.823 1.899 5 40 HDBB C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12796266 NRCCCRBPEJIRMZ-ZANVPECISA-N 419.843 1.542 5 40 HDBB Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] 20266388 GESAMZKFYPTQDZ-MRXNPFEDSA-N 413.482 1.880 5 40 HDBB COCCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3cc(C)ccc3nc21 100584586 CITALOZAUFFPCN-UHFFFAOYSA-N 407.430 1.606 5 40 HDBB Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c1[N+](=O)[O-] 8781128 CUCVLUAUTRIEBN-UHFFFAOYSA-N 423.451 1.068 5 40 HDBB O=C(NCc1nnc2n1CCCCC2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 32719672 GWUUXUMPYIQMPY-UHFFFAOYSA-N 400.439 1.679 5 40 HDBB O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 7889688 NLOHRQFYDLWGQV-UHFFFAOYSA-N 419.459 1.648 5 40 HDBB Cc1cccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1[N+](=O)[O-] 12616702 IZPFQBCLAYLNGU-UHFFFAOYSA-N 413.459 1.931 5 40 HDBB Cc1ccc(NC(=O)C[C@H]2N=C(NC(=N)Nc3ccccc3)NC2=O)cc1[N+](=O)[O-] 20799087 BXPZUVOJWBYPFW-CQSZACIVSA-N 409.406 1.723 5 40 HDBB COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1O 205915182 ANJJJLDKAFEQAA-NTUHNPAUSA-N 407.404 1.968 5 40 HDBB CCN(CC)CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 89968975 WSGLVFGFOFIAJC-BLGFXRMMSA-N 409.508 1.966 5 40 HDBB C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@@H]1CCCC[C@@H]1C 105114464 SUHLTYURFCLCCA-SGMGOOAPSA-N 417.418 1.817 5 40 HDBB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)no1 408672844 XMJMFHRXNJFWND-GFCCVEGCSA-N 402.363 1.734 5 40 HDBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1 9662119 FNVSYMYSRUXWSI-UHFFFAOYSA-N 412.424 1.939 5 40 HDBB COc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(CN2CCOCC2)cc1=O 16974845 NTNLXVAZOWATBM-UHFFFAOYSA-N 402.407 1.236 5 40 HDBB CC(=O)Nc1nonc1N[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1nonc1N 12364320 LLUPQUWHYHRAPY-CQSZACIVSA-N 417.342 1.065 5 40 HDBB O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1cccc([N+](=O)[O-])c1 19991033 PFFXMOKABBEAAE-OAQYLSRUSA-N 411.414 1.692 5 40 HDBB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 24772332 UWUIRCYHUHNTQI-RYUDHWBXSA-N 409.464 1.834 5 40 HDBB CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 32396425 UAZRGTNBAOZKSD-UHFFFAOYSA-N 406.439 1.842 5 40 HDBB CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408555927 XSUQYCJVGMFUIU-UHFFFAOYSA-N 414.374 1.465 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 6923962 SLKXOQKYDNXEGO-RHYBGTAWSA-N 406.398 1.848 5 40 HDBB CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@@H](C)[C@H]32)C1=O 9009578 UCPQMLNEVWWEOG-QMERHICCSA-N 416.434 1.606 5 40 HDBB COC(=O)c1cc([N+](=O)[O-])ccc1NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 40091241 PGUSTEXBWJHKCG-RYUDHWBXSA-N 401.441 1.232 5 40 HDBB C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4157460 IJTIAMMDASPHNP-JRRBAZMTSA-N 400.387 1.740 5 40 HDBB NC(=O)CO[C@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 72312701 BIZRQIWZNXQWEK-NSHDSACASA-N 404.345 1.518 5 40 HDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N/C(=O)c1cccnc1 101177169 WROXGXCJJGHQPJ-HKOYGPOVSA-N 403.398 1.499 5 40 HDBB CSc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] 15700960 ZUOGKTVVKSBOSZ-UHFFFAOYSA-N 416.463 1.185 5 40 HDBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 16079843 JIIIWIUZTKRJSO-UHFFFAOYSA-N 424.413 1.695 5 40 HDBB CN(C)c1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cn1 12510739 WQASTENCXHQAGW-UHFFFAOYSA-N 407.452 1.820 5 40 HDBB O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 40051277 DPHGPSOWYMSIDY-QGZVFWFLSA-N 410.430 1.374 5 40 HDBB CC1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 12783041 QVFAWNSXUPRAQF-CHWSQXEVSA-N 417.418 1.770 5 40 HDBB CCNC(=O)c1cc2c(=O)n3ccccc3nc2nc1NCCCN1CCOCC1 13519045 WYCLNTCSKKVIPX-UHFFFAOYSA-N 410.478 1.127 5 40 HDBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)C(C)C)CC2)c([N+](=O)[O-])c1 408572522 JFAYHWIPGVXUFB-UHFFFAOYSA-N 408.480 1.951 5 40 HDBB COCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O 8974193 CKRMRMHVHBBTKU-DNVCBOLYSA-N 402.407 1.221 5 40 HDBB CC[C@H](C)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCS(=O)(=O)C1 12521860 OWOWWEZUEFNCMU-WCQYABFASA-N 413.452 1.148 5 40 HDBB COC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 100982789 KUZCJKJFGSBDBN-RDJZCZTQSA-N 408.370 1.810 5 40 HDBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCc1cccs1 4839338 OKKYDWMNTRLGIZ-UHFFFAOYSA-N 405.432 1.966 5 40 HDBB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1[N+](=O)[O-] 25436593 LYZIKXZIZQLTOK-UHFFFAOYSA-N 411.461 1.607 5 40 HDBB O=C(c1cc(-c2ccncc2)[nH]n1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 1547212329 DWHFZJFLHKXWKT-OCCSQVGLSA-N 406.402 1.801 5 40 HDBB biogenic COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)c([N+](=O)[O-])c1 9373557 XYOFLMQAICQOFQ-UHFFFAOYSA-N 401.408 1.702 5 40 HDBB COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc([N+](=O)[O-])cc4)nc32)cc1 12080841 BXOZCFKHLWAYQX-UHFFFAOYSA-N 406.358 1.792 5 40 HDBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)o1 110255389 PLAYJBQXFMFHDG-WZUFQYTHSA-N 417.330 1.782 5 40 HDBB CN(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cn1 12517133 GJRJBRXRZXTAPI-UHFFFAOYSA-N 407.452 1.820 5 40 HDBB O=c1oc2ccccc2n1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 21322461 RVNUUZOYOIONBO-UHFFFAOYSA-N 418.431 1.467 5 40 HDBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 40060266 BDDZAFPWZMZQFM-UHFFFAOYSA-N 419.463 1.843 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc(OCCO)nc1 58005591 ASYXPRPNXUIMFI-UHFFFAOYSA-N 424.435 1.125 5 40 HDBB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc([N+](=O)[O-])cc4)nc32)c1 10187994 XINVWUFKPZWYIX-UHFFFAOYSA-N 406.358 1.792 5 40 HDBB CS(=O)(=O)c1ccc(NCCNC(=O)c2n[nH]c3ccccc23)c([N+](=O)[O-])c1 16784826 JKHYTEVJGJQQDC-UHFFFAOYSA-N 403.420 1.717 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(N)=O)N1c3ccccc3C=C[C@H]21 9090051 KEKUGUJXCCMEHX-OWYHZJEWSA-N 418.409 1.778 5 40 HDBB COCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 409216409 KYBAEGBEFSYDGC-GHXNOFRVSA-N 411.392 1.108 5 40 HDBB Nc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 5660178 PIKBJNBAQGTBOO-UHFFFAOYSA-N 400.391 1.809 5 40 HDBB CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 32396440 UOQLFGUUYGUREH-UHFFFAOYSA-N 406.439 1.842 5 40 HDBB CCN(CC)CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 89968974 WSGLVFGFOFIAJC-GFOMBABLSA-N 409.508 1.966 5 40 HDBB CNC(=O)[C@@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]21 12321732 NXABFLSYFZDXQI-WIYYLYMNSA-N 410.430 1.663 5 40 HDBB COc1cc(/C=C/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC(F)F 12907731 ABYPUQBHDCRIBR-PGLGOXFNSA-N 420.390 1.864 5 40 HDBB CN(Cc1ccccc1N1CCOCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 10901174 IGZCQXPTNROBGQ-UHFFFAOYSA-N 412.446 1.820 5 40 HDBB CC(C)(C)OC[C@H](O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 23486315 YDUFNBWMPWYOLK-OAHLLOKOSA-N 401.485 1.077 5 40 HDBB CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 408600045 SBWMWZJUPXSBOE-UHFFFAOYSA-N 406.468 1.769 5 40 HDBB O=C(CCCCCN1C(=O)C=CC1=O)Oc1ccc(S(=O)(=O)O)cc1[N+](=O)[O-] 2560702 GEZZBWSKOLMWEW-UHFFFAOYSA-N 412.376 1.232 5 40 HDBB in-vitro Cn1cc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 21839928 XZLMLPVCIMMZLV-ZDUSSCGKSA-N 413.452 1.048 5 40 HDBB O=C(COc1cccnc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCCC2)c1 9205193 JXASEMFCPMBBPW-UHFFFAOYSA-N 406.420 1.792 5 40 HDBB CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CC1 32778073 UGWZDMRKERFGOV-UHFFFAOYSA-N 405.499 1.677 5 40 HDBB CCOc1nn(CCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] 36614671 XWLLMINNGOOASX-UHFFFAOYSA-N 423.451 1.295 5 40 HDBB CSc1n[nH]c(-n2ccc3nc4ccn(Cc5cccnc5)c(=O)c4cc3c2=O)n1 40398881 DJVSFMSMWBQOOR-UHFFFAOYSA-N 417.454 1.984 5 40 HDBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)cc1 224864157 VUQAWUXJGUUIHL-UHFFFAOYSA-N 410.404 1.980 5 40 HDBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)C(N)=O)cc2)cc1[N+](=O)[O-] 10099672 XGHUGUNYJKDVDN-NSHDSACASA-N 406.420 1.308 5 40 HDBB CCOC(=O)C1=C(COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])NC(=O)N[C@@H]1C 24755616 ITEKABPKOYIIRB-SECBINFHSA-N 423.378 1.287 5 40 HDBB COCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 100846709 KWOQDOMAWWZWSG-UHFFFAOYSA-N 424.482 1.916 5 40 HDBB CS(=O)(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 9469924 UEHZXDNSZZGVJV-ZDUSSCGKSA-N 412.468 1.009 5 40 HDBB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(CCCO)c3nc12 100630578 DKINKGXPKMBTQP-UHFFFAOYSA-N 409.490 1.882 5 40 HDBB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20616783 SNTBDOGJECXYHO-UHFFFAOYSA-N 423.429 1.337 5 40 HDBB O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 40115804 PDGWKCMBXPSCKO-ONGXEEELSA-N 408.263 1.492 5 40 HDBB Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 6233954 VVCUTUJTMCWSIS-UHFFFAOYSA-N 406.416 1.998 5 40 HDBB COC(=O)C1=NN(c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 16216994 IUQYWVDVJJKIQI-RDJZCZTQSA-N 424.369 1.511 5 40 HDBB O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 49632639 DCAKNOMRQBAGLV-UONOGXRCSA-N 407.448 1.884 5 40 HDBB COCCNc1nc(O)c2c(n1)NC(=O)[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 1548338318 HVQSBWYYADMCJR-SNVBAGLBSA-N 416.394 1.288 5 40 HDBB CC(=O)O[C@H]1CO[C@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 6073951 VCVRZLCSAQZAAQ-MANSERQUSA-N 420.374 1.873 5 40 HDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(Br)cn1 7448131 JTRXZFVMMLJYPX-UHFFFAOYSA-N 405.164 1.987 5 40 HDBB CN1C(=O)C([C@H]2c3ccccc3C(=O)N2Cc2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=O 8829314 CYACSVTUZYCJOP-QGZVFWFLSA-N 422.397 1.959 5 40 HDBB COc1ccccc1OCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223775502 QQMSUGCJGOKKSJ-UHFFFAOYSA-N 423.447 1.565 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCC1CCN(C)CC1)S(C)(=O)=O 216943696 ADQSKNXJCFKZSV-UHFFFAOYSA-N 412.512 1.517 5 40 HDBB O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2 1818529 ZVIVCRFNVXNGOL-PXNMLYILSA-N 411.399 1.610 5 40 HDBB O=c1nc2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2nc1Cc1ccc(F)cc1 2396485 ABSAXYMNOAQLRG-MHWRWJLKSA-N 410.386 1.697 5 40 HDBB CCn1cc([N+](=O)[O-])c(C(=O)NCCNC(=O)c2nc(-c3cccs3)no2)n1 2733184 XKEPFTJBYOCQSG-UHFFFAOYSA-N 405.396 1.083 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)O)cc2c1-c1c(cc(S(=O)(=O)O)cc1[N+](=O)[O-])C2 8754462 FOINZTQSQZNCHV-UHFFFAOYSA-N 416.345 1.568 5 40 HDBB C[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N1CCOCC1 9053528 NUZPUPBROXSQCW-CYBMUJFWSA-N 413.452 1.005 5 40 HDBB CCOc1ccccc1N1C(=O)C(=O)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1=O 12926335 RDWWLGUUSITSTD-UHFFFAOYSA-N 412.358 1.588 5 40 HDBB COc1ccc(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 941648 DZDNWFBDZLUNNB-UHFFFAOYSA-N 413.342 1.381 5 40 HDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccncc1 7715841 SYXPGVQDRZPFLP-MOHJPFBDSA-N 403.398 1.499 5 40 HDBB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(C)nc1[N+](=O)[O-] 9983737 SIMFVJFUGWMMME-UHFFFAOYSA-N 424.435 1.575 5 40 HDBB CCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 10221049 XPOIPZGYSJJGRP-UHFFFAOYSA-N 420.495 1.742 5 40 HDBB Cc1nn(CC(=O)NCC(=O)Nc2ccccc2Br)c(C)c1[N+](=O)[O-] 12976184 ZZXCIFPEAIYYPA-UHFFFAOYSA-N 410.228 1.926 5 40 HDBB CNC(=O)c1ccc(N(C)C[C@@H](O)COCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 57994878 ZHMNRLLRDNTUMW-OAHLLOKOSA-N 417.418 1.697 5 40 HDBB COC(=O)c1cccc(-n2c3nc(=O)n(C)c(=O)c-3cc3cc([N+](=O)[O-])ccc32)c1 59497852 QQWAAKQENCIASL-UHFFFAOYSA-N 406.354 1.884 5 40 HDBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccccc4)c(=N)n(CCO)c3nc12 100813647 KYIWLKQDJQKXIC-UHFFFAOYSA-N 410.455 1.262 5 40 HDBB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c([N+](=O)[O-])c1 102592280 ZPAJTGLQEDDWHE-BETUJISGSA-N 419.390 1.260 5 40 HDBB CCN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3cc(OC)ccc3OC)n2)CC1 9363531 IKVCXQKCYXDTQM-UHFFFAOYSA-N 403.443 1.870 5 40 HDBB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 102085009 CAXHIPWGGNPINC-CRODYANQSA-N 424.409 1.764 5 40 HDBB O=C(NC[C@H]1CC[C@@]2(COCCN(Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1 306144545 ZIIDYCAAAGBDRQ-FZKQIMNGSA-N 406.395 1.356 5 40 HDBB COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2=O)c1 9404000 YKOWEFFXJYNOFZ-UHFFFAOYSA-N 412.358 1.704 5 40 HDBB O=C(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOCC1 57456082 YOLIVKUMVDYZNW-UHFFFAOYSA-N 402.373 1.594 5 40 HDBB Cc1cccn2c(=O)c3cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n(CCO)c3nc12 100894355 SFNYSRAUUDWHJR-OAHLLOKOSA-N 417.469 1.920 5 40 HDBB COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)n1 40398974 BHPWCYJLMOVGQS-UHFFFAOYSA-N 401.386 1.349 5 40 HDBB O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](c4ccccc4)C[C@H]32)C(=O)N1 9015561 IPYSYVUCZZMGFX-PBHICJAKSA-N 406.398 1.866 5 40 HDBB O=C(c1cccc([N+](=O)[O-])c1)[C@H](C(=O)N1CCOCC1)n1cc(Cl)ccc1=O 199407840 VKMHMRCQKKRDGB-MRXNPFEDSA-N 405.794 1.693 5 40 HDBB COc1c(CNC(=O)C(F)(F)F)cc([N+](=O)[O-])cc1CNC(=O)C(F)(F)F 978794 XLRMZTSCIOIUTG-UHFFFAOYSA-N 403.235 1.960 5 40 HDBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)N[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 16276684 RRPBDMOQEUVBAR-JJRVBVJISA-N 424.548 1.964 5 40 HDBB NC(=O)C[C@@H](NC(=O)Oc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409002514 ODZXBMLYOQQANI-OAHLLOKOSA-N 415.358 1.353 5 40 HDBB C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCc2ccccc21 9283258 DCQPAYIMJGUTCC-GFCCVEGCSA-N 423.381 1.712 5 40 HDBB C[C@H]1CCCCN1C(=O)CN1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 32770238 IEXGISBTVCVRNK-INIZCTEOSA-N 400.483 1.921 5 40 HDBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2 2353659 YZGRNJAUODVCPT-PXNMLYILSA-N 411.399 1.610 5 40 HDBB CCc1c(C)nc(NC2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)[nH]c1=O 57721654 JXTYDTAOHREKJC-UHFFFAOYSA-N 421.479 1.814 5 40 HDBB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc([N+](=O)[O-])cc1 12600127 ABVXEMSZMGFOHG-UHFFFAOYSA-N 407.404 1.574 5 40 HDBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23134471 BESSSVNLUOXQAL-UHFFFAOYSA-N 401.358 1.261 5 40 HDBB O=C(CCn1ccnn1)NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 96996459 QEBJDRKBXBAICL-SDNWHVSQSA-N 416.419 1.429 5 40 HDBB C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4157463 IJTIAMMDASPHNP-GSHBDLQKSA-N 400.387 1.740 5 40 HDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1C 14208905 HZRIBJRFDSFRSW-HNNXBMFYSA-N 411.480 1.471 5 40 HDBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC(=O)NCc1ccco1 9130791 DBXJWCSEOGWQOF-UHFFFAOYSA-N 416.390 1.971 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(-n2cnnn2)c1 9253928 ANQSQQFQQDEAOR-LLVKDONJSA-N 412.362 1.763 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(C)(=O)=O 10326029 WMZOTHNOKPRCIX-UHFFFAOYSA-N 418.431 1.655 5 40 HDBB COc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10384235 WVXINGZLWBHHCX-KRWDZBQOSA-N 412.402 1.573 5 40 HDBB Cc1nn(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c(C)c1[N+](=O)[O-] 8692583 KRLZFWJXBOFSBU-UHFFFAOYSA-N 415.859 1.951 5 40 HDBB CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 12984001 VOVKHWBHSWKMRO-UHFFFAOYSA-N 405.841 1.957 5 40 HDBB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 12529194 BJDXACUSSNLGSV-UHFFFAOYSA-N 423.403 1.307 5 40 HDBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCOCC1 32980147 NZGYEDOQIUSPCC-AWEZNQCLSA-N 401.872 1.959 5 40 HDBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccccc1 408639743 YLSZADXVGFRLTG-AWEZNQCLSA-N 411.370 1.514 5 40 HDBB COc1cc(/C=C/C(=O)N[C@H](C(=O)O)[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1O 5484150 FMHGCRUGDMNGPT-NKXVPCSKSA-N 402.359 1.625 5 40 HDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 8721702 YOAVCFSGOGJDHZ-YNHQPCIGSA-N 418.789 1.781 5 40 HDBB CC(C)CNC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9982406 MYMLSNSRCBTUFR-UHFFFAOYSA-N 408.411 1.070 5 40 HDBB COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224809571 VTJUHEXHSNOAAP-UHFFFAOYSA-N 410.404 1.980 5 40 HDBB O=C(NC[C@@H]1CC[C@]2(COCCN(Cc3ccc([N+](=O)[O-])o3)C2)O1)c1ccno1 306144547 ZIIDYCAAAGBDRQ-UGSOOPFHSA-N 406.395 1.356 5 40 HDBB O=C(c1cn2ccccc2n1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 15711792 MPVJGEDVCBHWTG-UHFFFAOYSA-N 415.431 1.389 5 40 HDBB O=C1c2ccccc2S(=O)(=O)N1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 16524402 HYISMLKUIGBXGA-UHFFFAOYSA-N 402.793 1.782 5 40 HDBB CCOC(=O)c1cc(C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)cc([N+](=O)[O-])c1 574657894 JLEXDWARHIQBAI-LLVKDONJSA-N 415.406 1.059 5 40 HDBB COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1S(=O)(=O)N1CCCCC1 28246541 QIZSHWDZHGRQTP-UHFFFAOYSA-N 423.451 1.613 5 40 HDBB COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)NC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 106860534 AJUHDECPDYJCMW-ZJQBRPOHSA-N 420.422 1.194 5 40 HDBB O=C1NC(=S)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1(Br)Br 8398221 NQLCBZISKZUOJH-UHFFFAOYSA-N 423.042 1.829 5 40 HDBB NS(=O)(=O)c1cccc(NC(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 9253633 WVPXUPSOCSOUSC-CMDGGOBGSA-N 405.388 1.437 5 40 HDBB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 16177179 QOCSMTKTXQJPPO-UHFFFAOYSA-N 410.390 1.895 5 40 HDBB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 223454395 AEAULXLDWRKJSV-UHFFFAOYSA-N 409.420 1.871 5 40 HDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)NC(=O)[C@H]1COc2ccccc2O1 3311286 FZIBULPIWZMOTR-OAHLLOKOSA-N 420.761 1.888 5 40 HDBB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 16740343 IZRLNFUIXGOMGX-UHFFFAOYSA-N 404.448 1.783 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O 100861505 KVPGGKDRJGYGJE-ZBFHGGJFSA-N 412.314 1.804 5 40 HDBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)CCC2=O)c1 8475267 RHAWRZPMGVFIJE-UHFFFAOYSA-N 411.370 1.993 5 40 HDBB O=C(NC1CCCCC1)N1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 26704568 QALREUMUCZDBGX-UHFFFAOYSA-N 400.439 1.767 5 40 HDBB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286306 URRFGNDBJMIEHV-INIZCTEOSA-N 406.464 1.815 5 40 HDBB COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1NS(=O)(=O)c1ccc(C)cc1 73258768 XNNIMJUKXQWTMP-UHFFFAOYSA-N 402.406 1.959 5 40 HDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)C1CC1 103628571 XEIZUHXPTYKPQB-CLCOLTQESA-N 424.457 1.700 5 40 HDBB O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@@H]1C[C@@H]1[N+](=O)[O-] 40144994 AEOFNPAAOJUJQJ-CABCVRRESA-N 419.415 1.862 5 40 HDBB C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101146063 GKWWSMLMOAPXHH-ZMPPFODHSA-N 400.387 1.740 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccnc2)n1N 3272189 HNOTVRVGHVLOJQ-UHFFFAOYSA-N 401.408 1.702 5 40 HDBB CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@@H](C)[C@@H]32)C1=O 9108954 XFCKPAHRJYWKFD-LPADPPLNSA-N 416.434 1.608 5 40 HDBB C[C@@H](CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 21635607 QKOFJFALMDZMEV-ZDUSSCGKSA-N 406.464 1.964 5 40 HDBB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 12618622 KSMIYTOMXFFDST-UHFFFAOYSA-N 413.795 1.691 5 40 HDBB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 12769127 SWDQWWMCJPQBAF-INIZCTEOSA-N 405.432 1.465 5 40 HDBB CCN(C(=O)[C@H](C)OC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 14236989 XUYKMFMIFRIFJD-AAEUAGOBSA-N 414.436 1.184 5 40 HDBB NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 16044508 MLVKQJJITMPSGM-UHFFFAOYSA-N 419.868 1.417 5 40 HDBB COc1ccc(OC)c(Nc2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])c1 20289227 FEDLLPGHIVUYGP-UHFFFAOYSA-N 419.442 1.472 5 40 HDBB CC(C)[C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 26302150 ANQGZSIKXAJGSI-IBGZPJMESA-N 405.499 1.783 5 40 HDBB CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1[N+](=O)[O-] 36790674 FIHUPQQFJGJYFY-UKRRQHHQSA-N 406.439 1.885 5 40 HDBB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12522279 PIDXATNGABRANO-HXUWFJFHSA-N 423.473 1.156 5 40 HDBB COc1cc(/C=C/C(=O)N[C@@H](C(=O)O)[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1O 5484145 FMHGCRUGDMNGPT-IGCXZHCHSA-N 402.359 1.625 5 40 HDBB CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 12984767 BKPAAGXCYMVJME-CQSZACIVSA-N 412.512 1.433 5 40 HDBB C[C@@H](C(=O)O[C@H](C)C(=O)NC1CCCCC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 15348657 XSFRPCKPPSPRTH-NWDGAFQWSA-N 417.418 1.960 5 40 HDBB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 216884688 ZQNUDWGQCVNWEO-UHFFFAOYSA-N 418.475 1.924 5 40 HDBB O=c1nc2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2nc1Cc1ccc(F)cc1 2396486 ABSAXYMNOAQLRG-YBEGLDIGSA-N 410.386 1.697 5 40 HDBB CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@@H](C)[C@H]32)C1=O 9009579 UCPQMLNEVWWEOG-PUDLSGOKSA-N 416.434 1.606 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCCN1CCOCC1 25514399 KPOPGEAUGUGOPH-UHFFFAOYSA-N 412.512 1.904 5 40 HDBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc(S(=O)(=O)N2CCOCC2)c1 13303382 XJZCDFFKZPOESS-UHFFFAOYSA-N 417.399 1.416 5 40 HDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 32869634 PHUZBIPWYBTGII-UHFFFAOYSA-N 401.441 1.845 5 40 HDBB COC(=O)c1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 3219553 MELYEBQVDJAGQT-UHFFFAOYSA-N 402.315 1.906 5 40 HDBB COC(=O)N1CCCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 58209206 FXYXUYMMJIAHMR-UHFFFAOYSA-N 415.406 1.363 5 40 HDBB CCN(C(=O)[C@H](C)OC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 14236986 XUYKMFMIFRIFJD-WCQYABFASA-N 414.436 1.184 5 40 HDBB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 24345695 MDHJVVASGAZKQH-UHFFFAOYSA-N 411.461 1.954 5 40 HDBB C[C@@]1(c2ccccn2)NC(=O)N(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 32913345 WZQXHMMVQLMORU-FQEVSTJZSA-N 410.434 1.537 5 40 HDBB C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]12 38558851 VIXMBQCARUTQKT-JRPNMDOOSA-N 402.407 1.170 5 40 HDBB Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] 224197109 QXVZHWBPYUFEPT-UHFFFAOYSA-N 407.448 1.962 5 40 HDBB NC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 9739451 YHCRPUQZAAVSGI-UHFFFAOYSA-N 420.341 1.512 5 40 HDBB COCc1n[nH]c(-n2ccc3nc4ccn(Cc5cccnc5)c(=O)c4cc3c2=O)n1 40399008 FXSVQESUVBVDBM-UHFFFAOYSA-N 415.413 1.408 5 40 HDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21 408530448 LCUAGRXJFWNANM-ZSOIEALJSA-N 407.386 1.878 5 40 HDBB O=C(OCN1C(=O)c2ccccc2C1=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408662016 MJSANZJCGWEUBJ-LBPRGKRZSA-N 409.354 1.745 5 40 HDBB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1CC(F)(F)F 40050073 ZYGYKWGFBZIOBS-UHFFFAOYSA-N 400.313 1.719 5 40 HDBB C[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220414606 UPZFKVWPLGSQTI-NSHDSACASA-N 406.420 1.487 5 40 HDBB Cc1c2cc[n+](C)cc2c(CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2c3ccccc3n(C)c12 5487652 ZNXXZAZGDYGHGN-GMHONNGPSA-N 423.489 1.573 5 40 HDBB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] 25252139 MBIOTKUGSMWVQV-UHFFFAOYSA-N 421.479 1.988 5 40 HDBB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)no1 408672845 XMJMFHRXNJFWND-LBPRGKRZSA-N 402.363 1.734 5 40 HDBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 32765673 QMYACJVVIRHJAG-UHFFFAOYSA-N 413.843 1.868 5 40 HDBB CNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccc(OC)cc2)c1=N 100751584 QXPABZAHAVUOTQ-UHFFFAOYSA-N 403.442 1.740 5 40 HDBB biogenic C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 12979166 GFBHYFQZALRHTE-CYBMUJFWSA-N 407.452 1.851 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O 103965805 KVPGGKDRJGYGJE-GDBMZVCRSA-N 412.314 1.804 5 40 HDBB O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]12 8971599 IIWQSFYIIPFJMB-BEFAXECRSA-N 400.460 1.902 5 40 HDBB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c([N+](=O)[O-])c1 12640286 FYCVBUQHXKODIT-STQMWFEESA-N 417.374 1.036 5 40 HDBB CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@H](C)[C@@H]32)C1=O 102785421 XFCKPAHRJYWKFD-OUMSGZHISA-N 416.434 1.608 5 40 HDBB C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4157456 GKWWSMLMOAPXHH-JRRBAZMTSA-N 400.387 1.740 5 40 HDBB Cn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc21 101049214 DBDQGWUULUOYOC-UHFFFAOYSA-N 403.398 1.324 5 40 HDBB CN(C)C(=O)CN1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 29966330 NXTNCFUAOINGJI-UHFFFAOYSA-N 405.333 1.732 5 40 HDBB O=C(O[C@@H]1CCOC1=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 9335482 URBRGDOJSYVRBQ-OAHLLOKOSA-N 406.372 1.868 5 40 HDBB CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C 12865686 BHKCNDGXADTCOU-HNNXBMFYSA-N 413.452 1.589 5 40 HDBB O=C(NCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 56835325 DPESDLILVPORIN-UHFFFAOYSA-N 415.425 1.996 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC[C@H](O)COCC1CC1 58157316 BZRJNOKTWHRUDZ-HNNXBMFYSA-N 413.496 1.969 5 40 HDBB CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 13729656 JITQOXBPJHLUPR-MGPUTAFESA-N 415.450 1.135 5 40 HDBB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n21 40114181 RWRGPSDMVQDJBB-UHFFFAOYSA-N 418.369 1.594 5 40 HDBB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 2294015 NAERQYNXVOZYOS-PIKOESSRSA-N 410.474 1.520 5 40 HDBB Cc1[nH]ncc1CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 24204770 MGXPXUPLWLKAGP-UHFFFAOYSA-N 409.468 1.692 5 40 HDBB C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 165690327 UILMECJHSVGHRG-BTDZUBADSA-N 415.402 1.496 5 40 HDBB CNC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1 48346174 BBMDVSQWKFPROD-CQSZACIVSA-N 414.393 1.763 5 40 HDBB COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113893376 LPHUSOKGAJEFKA-UHFFFAOYSA-N 410.404 1.980 5 40 HDBB COCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N 100851416 ZVMCDLDXPJVTLE-UHFFFAOYSA-N 418.457 1.257 5 40 HDBB Cc1nn(C)c(C)c1C1=NO[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 102725757 XQQZYBNDRKQGGI-UKRRQHHQSA-N 403.782 1.891 5 40 HDBB COC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2sc(=O)[nH]c2S[C@H]1C(=O)OC 2668694 DERPYVWALNEHPB-CKYFFXLPSA-N 410.429 1.913 5 40 HDBB CN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 4412136 FONJSFBCBREAGB-UHFFFAOYSA-N 413.365 1.541 5 40 HDBB COc1cc(CCNC(=O)c2ccc(N3CCOCC3)nc2)c([N+](=O)[O-])cc1OC 32882013 XPVAZLZWCXGVCY-UHFFFAOYSA-N 416.434 1.816 5 40 HDBB Cc1csc2nc(CN3C(=O)N[C@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)cc(=O)n12 10536753 XRBLMGPWSCLBLA-GOSISDBHSA-N 413.415 1.940 5 40 HDBB O=C1C[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(N3CCCCC3)[nH]c2=O)N1 22609939 LMKBPILYCXYRSX-LLVKDONJSA-N 412.406 1.733 5 40 HDBB CC(=O)c1ccc(NCCNS(=O)(=O)c2sc(=O)[nH]c2C)c([N+](=O)[O-])c1 95943710 LZBMLSMLLJXNSX-UHFFFAOYSA-N 400.438 1.246 5 40 HDBB O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCN(c2ccccn2)CC1 12537087 ZRBUKEYOUXLYRP-UHFFFAOYSA-N 424.505 1.851 5 40 HDBB O=[N+]([O-])c1cccc(S(=O)(=O)NCCSc2nnnn2-c2ccccc2)c1 59474536 XUFZKPRRYZQONW-UHFFFAOYSA-N 406.449 1.641 5 40 HDBB NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)COc2ccc(Cl)cc2Cl)c1=O 12768498 SORHUGMJMTTYIG-SNVBAGLBSA-N 402.190 1.602 5 40 HDBB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1 40115933 RDJVCTGLMPPRAM-FZMZJTMJSA-N 407.404 1.805 5 40 HDBB C[C@@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 9195992 QCZPONTWOFZWJL-WQVCFCJDSA-N 415.402 1.806 5 40 HDBB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 13129211 LMXKAFKSFFQGQO-VXGBXAGGSA-N 407.354 1.391 5 40 HDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(c2ccccc2F)CC1 18242601 GVANEVILZNOEKO-UHFFFAOYSA-N 412.377 1.679 5 40 HDBB O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1cc(=O)n2ccccc2n1 32831857 QUPLURXRMRNQFW-UHFFFAOYSA-N 415.369 1.547 5 40 HDBB CSc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)n1 40398880 MBAFLKPVDQIOGE-UHFFFAOYSA-N 417.454 1.984 5 40 HDBB CC1=C(C(=O)OCCO[N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1 68606450 BAYMJBBLIJJTSR-AWEZNQCLSA-N 408.323 1.815 5 40 HDBB biogenic O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc([N+](=O)[O-])cc1Cl 3317895 XZHGZNIRNNVBPU-UHFFFAOYSA-N 421.793 1.983 5 40 HDBB COc1ccc(OC)c(-n2c(=O)c3ccc4c(=O)[nH]c(=O)c5ccc(c2=O)c3c45)c1 227116834 XFRBRBWRNJSTCI-UHFFFAOYSA-N 402.362 1.599 5 40 HDBB CCn1cc(S(=O)(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)c([N+](=O)[O-])n1 534499427 WRKPRXBGWHMPJD-UHFFFAOYSA-N 404.408 1.268 5 40 HDBB C[C@@H](C(=O)OCC(=O)c1ccc([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 102082922 MZVAJECEFMUBTO-PXYIWFMXSA-N 424.409 1.762 5 40 HDBB C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408657431 KCCCZOPOOBRPET-XJSUSFSXSA-N 413.386 1.272 5 40 HDBB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 22559766 DZSWXSBAQJXPMI-UHFFFAOYSA-N 416.419 1.678 5 40 HDBB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 3338259 PQXHMDWVSQGEGS-UHFFFAOYSA-N 413.795 1.691 5 40 HDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 102084980 IGEOAADQSZCGKZ-QBXQWZBTSA-N 410.382 1.374 5 40 HDBB COc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(CN2CCOCC2)cc1=O 16974816 CKRPPABLMZQUHW-UHFFFAOYSA-N 402.407 1.236 5 40 HDBB Cc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 22347938 TXLMDLTWTRDLMH-UHFFFAOYSA-N 407.448 1.864 5 40 HDBB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 24453462 XTRCQUYPZIIVIT-UHFFFAOYSA-N 420.447 1.733 5 40 HDBB CCOC(=O)[C@H](C)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 79021999 CVKGYDVGLODCTI-CYBMUJFWSA-N 414.484 1.142 5 40 HDBB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 107861716 CBKJVZJYTZKEHK-UHFFFAOYSA-N 410.431 1.425 5 40 HDBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc([N+](=O)[O-])c1O 214307913 PPCDNPFUHFPWMO-MDWZMJQESA-N 423.403 1.204 5 40 HDBB CC(C)NC(=O)CN(C)C1CCN(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CC1 95448035 QUTVTLQLLHEDCM-UHFFFAOYSA-N 405.499 1.722 5 40 HDBB Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)o1 9223679 RLPQHXCQUJFHGT-UHFFFAOYSA-N 409.424 1.634 5 40 HDBB COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9576253 RXPURAWSBWKNDC-LLVKDONJSA-N 419.887 1.800 5 40 HDBB O=C(NCCN(CCO)C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 16400982 AELKIMHQNWVIIP-UHFFFAOYSA-N 402.363 1.368 5 40 HDBB C[C@H]1OC2(C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccccc2[N+](=O)[O-])CN(C)C1=O 1889040945 PXCBLQHEKOIEGQ-YCJFDJCISA-N 409.464 1.526 5 40 HDBB CSCC[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)O 3886124 SRQVPUSHNDVRPW-ZDUSSCGKSA-N 419.481 1.234 5 40 HDBB O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCN1C(=O)c2ccccc2C1=O 13005986 WAVGCLMTWZWHQU-UHFFFAOYSA-N 417.761 1.775 5 40 HDBB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]12 408734590 ZAEKDVHAEUYCJO-APYUEPQZSA-N 409.192 1.553 5 40 HDBB COC[C@@H](C)NS(=O)(=O)c1ccc(Nc2nc(C(F)(F)F)n[nH]2)c([N+](=O)[O-])c1 32911763 HPOODJCRFKOHRY-SSDOTTSWSA-N 424.361 1.789 5 40 HDBB CCOc1nn(CCCNS(=O)(=O)c2cnn(C(F)F)c2C)cc1[N+](=O)[O-] 36614743 GFXHMIVWFGGSJQ-UHFFFAOYSA-N 408.387 1.459 5 40 HDBB C[C@H](OC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCCCC1 15348659 XSFRPCKPPSPRTH-RYUDHWBXSA-N 417.418 1.960 5 40 HDBB CN(C)C(=O)O[C@H]1CCC[N+](C)(CCC[N+]2(C)CCC[C@@H](OC(=O)N(C)C)C2)C1 16999879 KOLHITJIMTXHLM-VINFYQEGSA-N 414.591 1.991 5 40 HDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 79108127 IVHWTRSLTOORCJ-ZIAGYGMSSA-N 401.485 1.771 5 40 HDBB COc1cc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC 3363688 BTHAHQJTTOQVGO-UHFFFAOYSA-N 418.358 1.814 5 40 HDBB Cn1c(=O)c2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)ccnc2n(C)c1=O 10217046 NXVKHRDQXRIQAI-UHFFFAOYSA-N 401.404 1.271 5 40 HDBB CN(C)CCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 13648261 HTYWHAVBBZVJCU-UHFFFAOYSA-N 406.464 1.468 5 40 HDBB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 408681552 FOICQYUMDMYNAN-UHFFFAOYSA-N 407.408 1.964 5 40 HDBB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 3321932 UWRMWYZDQSRRCV-UHFFFAOYSA-N 420.399 1.996 5 40 HDBB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cc([N+](=O)[O-])ccc1NCCO 7979746 GAZAVVNPUSXFOX-UHFFFAOYSA-N 400.391 1.889 5 40 HDBB O=C1N[C@H](c2ccc([N+](=O)[O-])o2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 12488862 OQYIMGREVYXFEF-GYSYKLTISA-N 400.269 1.687 5 40 HDBB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1[N+](=O)[O-] 24485028 YQUPIOYSOWZWMD-UHFFFAOYSA-N 418.431 1.276 5 40 HDBB CCOC(=O)C1=C(COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])NC(=O)N[C@H]1C 24755621 ITEKABPKOYIIRB-VIFPVBQESA-N 423.378 1.287 5 40 HDBB C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@H]1CCCC[C@@H]1C 105114469 SUHLTYURFCLCCA-OBJOEFQTSA-N 417.418 1.817 5 40 HDBB CCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 25467905 DKXQWLQVEMGPGN-UHFFFAOYSA-N 424.457 1.872 5 40 HDBB O=[N+]([O-])c1cc(S(=O)(=O)NC[C@]2(CCO)CCOC2)ccc1Br 95443872 LHMFCJUKRGLXLY-ZDUSSCGKSA-N 409.258 1.425 5 40 HDBB CC(=O)N[C@@H](Cc1cccn1C)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1 19020114 VTNFJFRMKMBJAJ-KRWDZBQOSA-N 414.466 1.161 5 40 HDBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)CCC2=O)c1 8475271 BWTLCBCCRVDHSU-UHFFFAOYSA-N 411.370 1.993 5 40 HDBB O=C1N=C(O)N=C(O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCN(c3ccccn3)C[C@@H]12 18212101 KDOVSKBCUZRSDY-OAHLLOKOSA-N 422.401 1.638 5 40 HDBB COCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccccc2)c1=N 100928147 YTLBUFVEMDRYHC-UHFFFAOYSA-N 417.469 1.862 5 40 HDBB Cc1c(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] 224840070 YCZDKADZDHFICH-UHFFFAOYSA-N 408.388 1.954 5 40 HDBB COc1cc([C@@H]2Nc3ccccc3C(=O)N2NS(C)(=O)=O)c([N+](=O)[O-])cc1OC 1441657 WZVHZSURVILIIU-MRXNPFEDSA-N 422.419 1.643 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 245284918 UWZSQEJSFNNEGX-CRPGXEFLSA-N 423.447 1.928 5 40 HDBB O=C1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1c1ccc2c(c1)OCCO2 11665583 BKKVROLJMBRYRV-LBPRGKRZSA-N 419.415 1.450 5 40 HDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CC(=O)N(c2ccccc2)C1 58006360 UOZLUEHAAXRMSN-LBPRGKRZSA-N 408.370 1.113 5 40 HDBB C[C@@H]1CCCN(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 40118720 BJLHOQKPHWYEHG-OAHLLOKOSA-N 412.512 1.760 5 40 HDBB COCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2cccnc2)c1=N 2315802 UDQGYSAZGSMUGE-UHFFFAOYSA-N 418.457 1.257 5 40 HDBB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 16740359 HQTWSROMNRRDIC-UHFFFAOYSA-N 404.448 1.783 5 40 HDBB COc1ccc([C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 23108178 LPLKDGZALCTHGN-SFHVURJKSA-N 421.475 1.955 5 40 HDBB O=C(Nc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 40144115 SMDWGVZHOGBGRE-UHFFFAOYSA-N 418.431 1.066 5 40 HDBB CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc([N+](=O)[O-])cc2)CC1 640993 COJROSKWYDTYSU-UHFFFAOYSA-N 412.450 1.627 5 40 HDBB biogenic COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])c1 40115937 RDJVCTGLMPPRAM-SMDDNHRTSA-N 407.404 1.805 5 40 HDBB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1[N+](=O)[O-] 102592290 ZIURPXKVOFZGSJ-KBPBESRZSA-N 403.391 1.560 5 40 HDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=c3\sc4nc5ccccc5n4c3=O)cc21 9187289 YYIBFJHOPJYBRH-PXNMLYILSA-N 407.411 1.556 5 40 HDBB O=C1CCc2cc([N+](=O)[O-])c(N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2N1 40139299 NLLFLQOOZYWZQR-UHFFFAOYSA-N 416.459 1.990 5 40 HDBB C[C@@H](CC1(c2ccccc2)C(=O)NC(=O)NC1=O)OC(=O)c1ccc([N+](=O)[O-])cc1 6437035 POLJISBQSIEHPT-LBPRGKRZSA-N 411.370 1.834 5 40 HDBB Cc1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)ccc1[N+](=O)[O-] 12762536 ASOGIADAEHQZSK-UHFFFAOYSA-N 419.459 1.854 5 40 HDBB COC[C@](C)(O)CNC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 78947347 DBDJCNPBZOUISN-QGZVFWFLSA-N 411.436 1.766 5 40 HDBB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] 4323153 VZWKOQUGOKJFQI-UHFFFAOYSA-N 418.475 1.477 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nnnn1-c1ccc(F)c(F)c1 9571237 IHKORWVBBFQBTC-UHFFFAOYSA-N 410.362 1.636 5 40 HDBB O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)Nc1ccc([N+](=O)[O-])cc1 8974526 LGKILSCEMDIKSY-TVFCKZIOSA-N 404.382 1.706 5 40 HDBB CNS(=O)(=O)c1ccc(N2CCN(Cc3c(C)noc3C)CC2)c([N+](=O)[O-])c1 32911798 JUQMEIXTQPPGCZ-UHFFFAOYSA-N 409.468 1.430 5 40 HDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 79108125 IVHWTRSLTOORCJ-KBPBESRZSA-N 401.485 1.771 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(c3cccc([N+](=O)[O-])c3)=NO[C@H]2C1=O 103561513 VHNIXYXGZOURIT-GOEBONIOSA-N 412.314 1.804 5 40 HDBB COc1cc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)c([N+](=O)[O-])cc1OC 10250995 AHVPYQIMSUGNMD-UHFFFAOYSA-N 416.394 1.657 5 40 HDBB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C\c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)c1 30843432 KYCKAUTVNACJRC-IWQZZHSRSA-N 413.298 1.798 5 40 HDBB COc1ccccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 9926932 VAKGAWRVZJBJRZ-INIZCTEOSA-N 412.402 1.573 5 40 HDBB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4[N+](=O)[O-])nc32)c1 10187993 KNNGBKXJQBYCAZ-UHFFFAOYSA-N 406.358 1.792 5 40 HDBB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 18059949 CORYAJKXWKMCCN-UHFFFAOYSA-N 408.436 1.518 5 40 HDBB O=C(CN1C(=O)S/C(=C2/SC(=O)NC2=O)C1=O)Nc1ccc([N+](=O)[O-])cc1 65090532 ZGRXANCMLBFGFA-MDZDMXLPSA-N 408.373 1.423 5 40 HDBB CS(=O)(=O)c1ccc(N2CCN(C(=O)C3[C@H]4[C@H]5CC[C@@H](C5)[C@H]34)CC2)c([N+](=O)[O-])c1 107362281 SSFUHUMKVGUSNY-LUVWLHFXSA-N 419.503 1.939 5 40 HDBB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 408668098 UUPUPVLTVRFZNQ-YDOWWZDFSA-N 415.402 1.416 5 40 HDBB CC(=O)OCCCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc21 16741224 OKTLCTDWESOQHH-UHFFFAOYSA-N 423.473 1.754 5 40 HDBB COc1ccc(CCn2ccc3nc4ccn(CCO)c(=O)c4cc3c2=O)cc1OC 36369991 PIDTYHRLAWVRSE-UHFFFAOYSA-N 421.453 1.964 5 40 HDBB biogenic COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 16188388 QYYNRLDMFOKTEW-UHFFFAOYSA-N 409.420 1.871 5 40 HDBB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 89980314 DIPNTIAEHFEPMG-UHFFFAOYSA-N 406.420 1.860 5 40 HDBB O=C(Cn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4763956 AUQYFKQQFYHISF-UHFFFAOYSA-N 415.431 1.008 5 40 HDBB CCCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1c(N)n(CCC)c(=O)[nH]c1=O 9507798 PSNOFNIWHYBEJR-UHFFFAOYSA-N 419.438 1.893 5 40 HDBB COCCOc1cc(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)ccn1 96008303 QPUNTAOZUVFGLR-IBGZPJMESA-N 400.391 1.982 5 40 HDBB Cc1cccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 223775135 YNYGFDHLGXTAEZ-UHFFFAOYSA-N 407.448 1.864 5 40 HDBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)CC2)cc1 9509366 DQXRIBCUPHNXHU-UHFFFAOYSA-N 421.479 1.250 5 40 HDBB CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NC)[C@@H]1CCS(=O)(=O)C1 12554170 IESINVODAIYFLS-WCQYABFASA-N 413.452 1.217 5 40 HDBB COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224748419 QIFVZVAWFNEILS-UHFFFAOYSA-N 408.388 1.750 5 40 HDBB COC(=O)c1sc(NC(=O)COc2cccnc2[N+](=O)[O-])c(C(=O)OC)c1C 9963540 SIOJTOTVAFJGEF-UHFFFAOYSA-N 409.376 1.950 5 40 HDBB NC(=O)[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 95415866 GQNNQOALMAICRB-UONOGXRCSA-N 412.468 1.072 5 40 HDBB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 102280455 GPYPOZKSQLSDIM-VXGBXAGGSA-N 423.809 1.905 5 40 HDBB Cc1cccc(N2CCN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)c1 10557203 RIOLCXRUFRCTBT-UHFFFAOYSA-N 408.414 1.848 5 40 HDBB CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 48301648 FBFWQELSMQPHLM-UHFFFAOYSA-N 411.461 1.563 5 40 HDBB Cc1cccc(Cn2[nH]cc/c2=N\C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 103100208 JLSXQWJQKWRDDR-PTGBLXJZSA-N 419.397 1.805 5 40 HDBB O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c1 533140265 PFLUWCSUUOYMRS-XHSDSOJGSA-N 400.357 1.979 5 40 HDBB CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 32883780 ZRNUDJUFHOIODU-UHFFFAOYSA-N 411.462 1.711 5 40 HDBB O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@H]32)C(=O)N1 9011786 IPYSYVUCZZMGFX-YOEHRIQHSA-N 406.398 1.866 5 40 HDBB CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)c1cccc([N+](=O)[O-])c1 10111202 QLDPVSFDCWBBDL-UHFFFAOYSA-N 412.512 1.743 5 40 HDBB O=C1COc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)cc2N1 1547206291 CEVJHTXXORXNQT-YPMHNXCESA-N 410.386 1.347 5 40 HDBB biogenic CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 9971876 SOFFJSKIDNCZRQ-UHFFFAOYSA-N 409.468 1.728 5 40 HDBB COc1cccc([C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)N2CCOCC2)c1 23108057 WMRCKZCDGSSFCS-IBGZPJMESA-N 421.475 1.955 5 40 HDBB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 408666137 SJMNXMDACBRRMQ-YDOWWZDFSA-N 413.386 1.192 5 40 HDBB Cc1c2cc[n+](C)cc2c(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2c3ccccc3n(C)c12 5487648 ZNXXZAZGDYGHGN-QVGHQYEOSA-N 423.489 1.573 5 40 HDBB Cc1cccc(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c1[N+](=O)[O-] 9022382 FLHYBUBIIFZPKK-UHFFFAOYSA-N 418.406 1.042 5 40 HDBB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 22061451 QGMDCIWXBQPRMQ-SFHVURJKSA-N 400.391 1.975 5 40 HDBB CN(C)CCn1c2c(c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc1=O)CCC2 4851710 FRXLPFNNARPZMG-UHFFFAOYSA-N 417.491 1.933 5 40 HDBB Cc1ccc(NC(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)cc1[N+](=O)[O-] 12852748 WAUWKGIVYGCSQE-UHFFFAOYSA-N 410.438 1.341 5 40 HDBB COC[C@@H](C)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 13847184 FWODITCDNJKJET-CQSZACIVSA-N 407.448 1.941 5 40 HDBB C[C@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 102129339 UTHAJJWEHUCCEH-RCBQFDQVSA-N 415.402 1.806 5 40 HDBB CN(C)CCNS(=O)(=O)c1ccc(NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 9119826 JEDWNCRQSNLPMA-UHFFFAOYSA-N 422.463 1.776 5 40 HDBB O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1csc(-c2cnccn2)n1 89773162 BWDCAMOGLAQPLI-UHFFFAOYSA-N 409.380 1.766 5 40 HDBB O=c1oc2cc(S(=O)(=O)N3CCOCC3)ccc2n1Cc1ccc([N+](=O)[O-])cc1 8867301 DBMVQQYXASYDAZ-UHFFFAOYSA-N 419.415 1.572 5 40 HDBB COc1ccc(CCNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC 12760435 LWRUSUGRPQXIDE-VQIMIIECSA-N 419.434 1.548 5 40 HDBB CN(C)CCCNc1nc(N)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1 57457043 AXFILFDSOBXFRY-UHFFFAOYSA-N 414.514 1.653 5 40 HDBB COC[C@@H](O)CN1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 95445002 SHOVKGPZEXLRCU-KRWDZBQOSA-N 406.483 1.397 5 40 HDBB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 9958330 BQFQZRTYLFWUBN-VIFPVBQESA-N 422.423 1.266 5 40 HDBB COc1ccc(C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)n2)cc1[N+](=O)[O-] 89954525 ODDYDLRXQYMPCJ-UHFFFAOYSA-N 413.434 1.915 5 40 HDBB CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cc([N+](=O)[O-])ccc1Cl 100249753 BHFYKFSRXRQPCG-ZDUSSCGKSA-N 422.777 1.951 5 40 HDBB biogenic,in-vitro CC(=O)Nc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 408630368 SMWOTXIRRFMGAT-UHFFFAOYSA-N 406.420 1.958 5 40 HDBB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1C[C@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 604405478 ONNUDULBLMXRDQ-OAGGEKHMSA-N 422.441 1.755 5 40 HDBB biogenic COc1cccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c1 8157088 IPNYHYIZBVGGTH-HXUWFJFHSA-N 412.402 1.687 5 40 HDBB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C 12865677 BHKCNDGXADTCOU-OAHLLOKOSA-N 413.452 1.589 5 40 HDBB COCCOc1cc([N+](=O)[O-])c(C(=O)NC2CCN(CCOC)CC2)cc1OC 58130265 LKPFQDGSYGUBHN-UHFFFAOYSA-N 411.455 1.469 5 40 HDBB COCCCOC1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 72311768 BZWRWKBRXAIYKU-GOSISDBHSA-N 405.451 1.772 5 40 HDBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cc1 5392559 AYDKYYIHRTZKSK-UHFFFAOYSA-N 403.460 1.979 5 40 HDBB C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2[C@@H](C)O1 13135576 VIXMBQCARUTQKT-HFAKWTLXSA-N 402.407 1.170 5 40 HDBB O=C(NCc1cccnc1N1CCOCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 40105431 BCISMAQBUHXGJO-UHFFFAOYSA-N 408.418 1.942 5 40 HDBB C[C@H](NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] 537174347 GSGWVTMTPFMRMO-ZDUSSCGKSA-N 406.464 1.252 5 40 HDBB COc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10384245 WVXINGZLWBHHCX-QGZVFWFLSA-N 412.402 1.573 5 40 HDBB COc1cc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c(C)cc1[N+](=O)[O-] 58123677 VSUSBRJVEPYGRX-UHFFFAOYSA-N 402.407 1.901 5 40 HDBB O=C1NCCCC[C@H]1Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1[N+](=O)[O-] 100851421 PEXZHGUIYBDPEN-QBXRVLTGSA-N 410.430 1.987 5 40 HDBB O=C1N[C@H](c2ccc([N+](=O)[O-])o2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 3171030 OQYIMGREVYXFEF-WDMOLILDSA-N 400.269 1.687 5 40 HDBB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1[N+](=O)[O-] 10834157 ZZZBTYADSDRNLQ-ZDUSSCGKSA-N 411.411 1.955 5 40 HDBB COc1ccc(C)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 32743568 GAMVWZOMUXGXIA-UHFFFAOYSA-N 420.491 1.881 5 40 HDBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nnc3n2CCCCC3)C1 8745652 PQNMKORSCLANCR-ZDUSSCGKSA-N 420.495 1.944 5 40 HDBB O=C(C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOCC1 9322016 XXQZJPJVNBMTPC-UHFFFAOYSA-N 416.356 1.121 5 40 HDBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 40012861 WTRWRIMTJGBXQR-INIZCTEOSA-N 408.436 1.171 5 40 HDBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 4555420 VYAMCIGMUVCVLR-OAHLLOKOSA-N 411.370 1.514 5 40 HDBB O=C(COC(=O)CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 9960188 MNBSPARSBOWUDC-UHFFFAOYSA-N 411.367 1.194 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccco2)CC1 95545628 AGRZNUDYTXAQTF-CYBMUJFWSA-N 402.407 1.981 5 40 HDBB Cc1cc(C(=O)N2CC[C@@]3(COCc4cnc(NC5CC5)nc43)C2)ncc1[N+](=O)[O-] 306139243 STAZUABOROKNAD-FQEVSTJZSA-N 410.434 1.977 5 40 HDBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154357 DJPDVCSPNFIWGT-UHFFFAOYSA-N 401.379 1.930 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O 10331409 BCTSWHMPEXBHGZ-UHFFFAOYSA-N 421.431 1.714 5 40 HDBB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 12626868 WYCVDKGFXJFYLO-UHFFFAOYSA-N 419.459 1.687 5 40 HDBB O=c1c2cc3c(=O)n(-c4ccccn4)ccc3nc2ccn1CCCN1CCOCC1 38829211 WEZGZWVORJCIFN-UHFFFAOYSA-N 417.469 1.818 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20040004 JZUFFESFJLRKCD-INIZCTEOSA-N 407.404 1.769 5 40 HDBB COC(=O)[C@H](O)CNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] 96011339 BJYMBOIGFQWSCP-ZEPSKSRBSA-N 415.468 1.398 5 40 HDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccccc1)S(C)(=O)=O 223881317 NQIMEPAUVUCYNC-UHFFFAOYSA-N 423.447 1.565 5 40 HDBB C[C@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 3309158 HPKKNWRCPQYJSR-IJEWVQPXSA-N 411.480 1.774 5 40 HDBB O=C(OCN1C(=O)c2ccccc2C1=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408662013 MJSANZJCGWEUBJ-GFCCVEGCSA-N 409.354 1.745 5 40 HDBB O=C(CN1C(=O)N/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O)Nc1ccccc1F 409209670 HBNXYFSVOPHOGL-RIYZIHGNSA-N 400.322 1.971 5 40 HDBB Cc1ccccc1-c1nnn(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 9160778 PEDJOZQHGIAXQE-UHFFFAOYSA-N 407.434 1.906 5 40 HDBB O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)OCO2 9343548 BBDSOGRNXJPYGA-UHFFFAOYSA-N 407.404 1.308 5 40 HDBB COc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1OC 15391587 BYYHFXAFRHJVCC-LBPRGKRZSA-N 421.431 1.696 5 40 HDBB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16033624 OEFLGVMKOKDVDW-MLHJIOFPSA-N 404.382 1.596 5 40 HDBB Cc1c2cc[n+](C)cc2c(CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2c3ccccc3n(C)c12 5487650 ZNXXZAZGDYGHGN-GDKQOWJMSA-N 423.489 1.573 5 40 HDBB CC(C)(C)c1ccc(C(=O)OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1[N+](=O)[O-] 21630094 WJVPZYWJDZZIAE-SFHVURJKSA-N 412.464 1.743 5 40 HDBB Cc1nn(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1[N+](=O)[O-] 21573788 OXPCXMXWEBBKKU-UHFFFAOYSA-N 401.423 1.481 5 40 HDBB COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225023576 UTHPACNWDUKUFJ-UHFFFAOYSA-N 410.404 1.980 5 40 HDBB CCCn1c(N)c(N(CCOC)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O 14911824 WNCHBALHYJAUGR-BQYQJAHWSA-N 417.422 1.130 5 40 HDBB CN(C)CC(C)(C)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 7781417 JFLOLOYWLZVULQ-UHFFFAOYSA-N 413.544 1.531 5 40 HDBB CCOCCCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3ccccc3nc21 100628060 KNEFEIBLZQNSNU-UHFFFAOYSA-N 413.478 1.322 5 40 HDBB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 6655335 APRRMVMBGWRBGZ-AATRIKPKSA-N 401.169 1.958 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCc2cccnc2)CC1 12528519 OUMYTCQDYWKYKA-UHFFFAOYSA-N 419.463 1.514 5 40 HDBB Cc1c(NC(=O)CCN2CCN(C(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] 26345393 MDUSVZLRFKLTHY-UHFFFAOYSA-N 405.455 1.302 5 40 HDBB CCc1cc(N2CCC[C@H](CNS(N)(=O)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 58283021 OXPWPZBVTGGFSR-CYBMUJFWSA-N 420.495 1.624 5 40 HDBB O=C(O)CNS(=O)(=O)c1ccc(NC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 15981157 AOTBKYTVUGMIRX-NSHDSACASA-N 423.403 1.210 5 40 HDBB COc1cc([C@H]2Nc3ccccc3C(=O)N2NS(C)(=O)=O)c([N+](=O)[O-])cc1OC 1441656 WZVHZSURVILIIU-INIZCTEOSA-N 422.419 1.643 5 40 HDBB COC(=O)[C@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccco1)C(F)(F)F 4939814 KGRPBEOTWPPUIP-CQSZACIVSA-N 402.285 1.966 5 40 HDBB NC(=O)c1ccc(N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c([N+](=O)[O-])c1 12537088 PTKMVTFHBPEWBT-UHFFFAOYSA-N 408.418 1.024 5 40 HDBB CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCCN1CCOCC1 20051750 IZRSOPOLWIOSAJ-UHFFFAOYSA-N 410.478 1.045 5 40 HDBB CCOP(=O)(OCC)[C@H](C(=O)OC)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 1627908 FFYMTZRIQKPLPP-ZDUSSCGKSA-N 402.296 1.910 5 40 HDBB O=[N+]([O-])c1cnn(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 24760750 XBXIGLHECXYYCM-UHFFFAOYSA-N 419.385 1.774 5 40 HDBB Cc1c(Cn2c(Br)nc3c(=O)n(C)c(=O)n(C)c32)cccc1[N+](=O)[O-] 40127557 GYIQYDNYZFVOJS-UHFFFAOYSA-N 408.212 1.461 5 40 HDBB CCOC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)sc(C(=O)NC)c1C 10452436 DPYRRJRPNKVYJE-UHFFFAOYSA-N 422.419 1.301 5 40 HDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccs1 40135453 FVWYFECUASSRJZ-NSHDSACASA-N 412.449 1.852 5 40 HDBB O=C(NCCn1ncc2c(=O)n(Cc3cccc([N+](=O)[O-])c3)cnc21)c1ccco1 12071913 YXLKGJRTUNCMBH-UHFFFAOYSA-N 408.374 1.573 5 40 HDBB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 14236980 XUYKMFMIFRIFJD-DGCLKSJQSA-N 414.436 1.184 5 40 HDBB CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCS(=O)(=O)C1 12884665 XLGGVPQICBOREX-CMPLNLGQSA-N 418.855 1.829 5 40 HDBB O=C1NC(=O)C2(CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)N1 57995823 RTOKXSLVLLFGRT-UHFFFAOYSA-N 404.426 1.355 5 40 HDBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc5c(c4)OCO5)c(=N)n(C)c3nc12 101158783 KRZXNROJWGKLCT-UHFFFAOYSA-N 417.425 1.633 5 40 HDBB CC(=O)C[C@H](OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 409337128 XFNFWGILTSMFKI-ZPFYTHJMSA-N 414.370 1.319 5 40 HDBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccc(N2CCOCC2)cc1 4399929 DAVHTXJVSXWJNK-UHFFFAOYSA-N 409.402 1.780 5 40 HDBB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12738717 BUVFGUHVIKGAIY-UHFFFAOYSA-N 411.397 1.736 5 40 HDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 40135452 FVWYFECUASSRJZ-LLVKDONJSA-N 412.449 1.852 5 40 HDBB O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 10384265 BRXCUWCQGATEDP-INIZCTEOSA-N 400.366 1.703 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 32747454 ACLNQFXJHZUDEW-UHFFFAOYSA-N 410.386 1.614 5 40 HDBB COc1cc(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)ccc1O 95467794 CWKXGAAARWNFMP-UHFFFAOYSA-N 407.448 1.816 5 40 HDBB COc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 32895552 HRTXEKTYAILTGN-QGZVFWFLSA-N 421.475 1.955 5 40 HDBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 104497014 HQTBMWNSTCRTFD-NVXWUHKLSA-N 423.341 1.826 5 40 HDBB O=C(NC[C@@H]1CCCO1)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 4979811 CVIFNYRJFKKFCG-IRXDYDNUSA-N 403.435 1.569 5 40 HDBB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 13565850 HUYJERMQHLWIPG-INIZCTEOSA-N 424.841 1.752 5 40 HDBB CC(C)n1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C 2229658 SRLDVFGSDMVNCT-UHFFFAOYSA-N 403.420 1.887 5 40 HDBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 12864377 AVLPZSUBLHBVCH-CYBMUJFWSA-N 410.438 1.864 5 40 HDBB O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 40061809 BONAZDGUUUEZFP-UHFFFAOYSA-N 418.859 1.007 5 40 HDBB O=c1nc2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2nc1Cc1ccc(F)cc1 5006576 YGMBBYYEPGXQCF-MHWRWJLKSA-N 410.386 1.697 5 40 HDBB CCCCCC[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@H](C)C(=O)O[C@H](CC1)[C@H]32 5182174 CQNVPEJPYJMVEI-WFWNPBMHSA-N 410.531 1.703 5 40 HDBB NC(=O)c1ccc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)c([N+](=O)[O-])c1 13131142 SGAQKSJSRGWRFT-UHFFFAOYSA-N 410.433 1.072 5 40 HDBB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1[N+](=O)[O-] 12659383 ZIURPXKVOFZGSJ-ZIAGYGMSSA-N 403.391 1.560 5 40 HDBB CS(=O)(=O)c1ccc(N2CCN(C(=O)C3[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)CC2)c([N+](=O)[O-])c1 107362285 SSFUHUMKVGUSNY-RPLLJCPNSA-N 419.503 1.939 5 40 HDBB CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 260893041 GIIBZJNFGQHPHB-HNNXBMFYSA-N 421.431 1.317 5 40 HDBB CC1CCN(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1 13669811 ROVSYGPAVGJHBI-UHFFFAOYSA-N 412.512 1.599 5 40 HDBB CCOc1ccccc1CNC(=O)CS(=O)(=O)Cn1nc(C)c([N+](=O)[O-])c1C 17088479 LAOWGUSXORPZSS-UHFFFAOYSA-N 410.452 1.496 5 40 HDBB CC1=C(C(=O)NCCO[N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1 68606503 LGKOYMUTGBZNMD-CQSZACIVSA-N 407.339 1.388 5 40 HDBB biogenic C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408667555 UILMECJHSVGHRG-PRNVEUERSA-N 415.402 1.496 5 40 HDBB CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 9491652 QEOKRXDCCROGRQ-UHFFFAOYSA-N 413.433 1.529 5 40 HDBB CNc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(C)o3)CC2)cc1[N+](=O)[O-] 9635603 KEWQFDSWCGRSEA-UHFFFAOYSA-N 424.439 1.367 5 40 HDBB O=C(NC(=S)NCc1cccnc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17082183 HPIRWDJMKVESSR-UHFFFAOYSA-N 401.448 1.631 5 40 HDBB COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113892679 UAPBUNPFUDLIHH-UHFFFAOYSA-N 410.404 1.980 5 40 HDBB COc1ccc(CCNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC 12760424 LWRUSUGRPQXIDE-APWZRJJASA-N 419.434 1.548 5 40 HDBB CC1([N+](=O)[O-])COC2(OC1)C(=O)N(CN1CCC3(CC1)OCCO3)c1ccccc12 19932671 ICOLIIRSCQANIX-UHFFFAOYSA-N 419.434 1.065 5 40 HDBB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)cc1[N+](=O)[O-] 19961238 AWHHGKJENKKUOY-GFCCVEGCSA-N 412.406 1.651 5 40 HDBB NS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 444090846 SPOCYZTZKNSMLJ-NSHDSACASA-N 421.425 1.853 5 40 HDBB Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC(C(N)=O)CC3)c(O)n2n1 37355756 MOKCBFGBANNBIA-CQSZACIVSA-N 416.463 2.000 5 40 HDBB O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 40114882 WOVIPYPBDPCDHD-CHWSQXEVSA-N 407.370 1.204 5 40 HDBB COc1cc(C(=O)N2CCN(Cc3nonc3C)CC2)c([N+](=O)[O-])c(OC)c1OC 58158949 SFWIQWVROCLRGS-UHFFFAOYSA-N 421.410 1.270 5 40 HDBB COC(=O)C1CCN(C(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1 220418764 VVPLWVZHDZDMSV-LBPRGKRZSA-N 413.452 1.161 5 40 HDBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 5930463 YMQHFTZTUVCYFE-UHFFFAOYSA-N 405.432 1.877 5 40 HDBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c1 9126078 RLEPGUHQVKMRAS-UHFFFAOYSA-N 415.435 1.081 5 40 HDBB Cc1ccc(NC(=O)C[C@@H]2N=C(NC(=N)Nc3ccccc3)NC2=O)cc1[N+](=O)[O-] 20799083 BXPZUVOJWBYPFW-AWEZNQCLSA-N 409.406 1.723 5 40 HDBB COc1ccc2cc(CN(C)C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)ccc2c1 27054908 AWORIGHUGDFYFY-UHFFFAOYSA-N 424.413 1.676 5 40 HDBB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1 3073092 BRGDXMYGFFVXGJ-UHFFFAOYSA-N 411.461 1.556 5 40 HDBB COC(=O)C1CCN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)CC1 10542155 DWNLHJPOAZESMU-UHFFFAOYSA-N 413.452 1.081 5 40 HDBB Cc1cc2c(c([N+](=O)[O-])c1)OCC(CN1CCOCC1)(CN1CCOCC1)C2=O 33747902 RHOCYCQXUHIOSD-UHFFFAOYSA-N 405.451 1.129 5 40 HDBB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 96444317 QGLIIJPGIWVTRK-LLVKDONJSA-N 406.878 1.965 5 40 HDBB N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1CCCO 103923430 KMWFYWVXNBCZKD-UHFFFAOYSA-N 403.442 1.441 5 40 HDBB Cn1c(=O)cc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)c2ccccc21 1547208458 DOALCXLUTCWFFQ-KGLIPLIRSA-N 420.425 1.868 5 40 HDBB biogenic O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 4323158 MYLXZDAISXHYAU-UHFFFAOYSA-N 418.475 1.477 5 40 HDBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]([C@H]1CCOC1)N1CCOCC1 27370030 GOZUBJRQBGSSHR-MAUKXSAKSA-N 407.471 1.043 5 40 HDBB COC(=O)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCOCC1 96005897 PHYMHEKYONYWPV-UHFFFAOYSA-N 415.240 1.986 5 40 HDBB CC(=O)c1ccc(N2CN=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3C2)cc1 1790913 JEAGNIOWDZMMEC-ZDLGFXPLSA-N 408.439 1.904 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCCN2CCCC2)CC1 8984921 FYRGZMZNWRIVIR-UHFFFAOYSA-N 424.523 1.516 5 40 HDBB CCOC(=O)C1=NO[C@@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@@H]12 4054008 GSYPMPNKZOJCDP-HZPDHXFCSA-N 405.407 1.872 5 40 HDBB O=C(CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O)Nc1ccccc1F 409209979 HKTBXLRZKMRAFV-MDWZMJQESA-N 400.322 1.971 5 40 HDBB CN1CCN(c2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])CC1 20357730 HUAGKMFXOKUNNY-UHFFFAOYSA-N 412.498 1.041 5 40 HDBB Cn1cnc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 30582994 LJGLGKGEGBZVAY-UHFFFAOYSA-N 419.385 1.858 5 40 HDBB CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2861701 ZTSOBBBPHGIAKX-UHFFFAOYSA-N 408.461 1.972 5 40 HDBB Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCCC3)o2)cccc1[N+](=O)[O-] 10385340 WHBNXCMXYUSMRC-UHFFFAOYSA-N 405.436 1.931 5 40 HDBB O=C(OCC(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1)c1ccc([N+](=O)[O-])o1 21469776 SFKHSUQZRTUXTL-ZDUSSCGKSA-N 406.372 1.689 5 40 HDBB CN(C)C(=O)CN[C@H]1CCCC[C@@]12CN(Cc1cc([N+](=O)[O-])ccc1F)CCO2 306136749 QCKNBZIHWFKDSI-AZUAARDMSA-N 408.474 1.925 5 40 HDBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 408643465 ABUCYJPOKXITMH-LBPRGKRZSA-N 417.374 1.727 5 40 HDBB Cn1c(=O)c2c(nc(NCCCNc3ccc(Cl)cc3[N+](=O)[O-])n2C)n(C)c1=O 5223444 VUGVRRIEUJKILO-UHFFFAOYSA-N 421.845 1.446 5 40 HDBB biogenic C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8643669 OHMHMXQWYFUDNB-GFCCVEGCSA-N 423.381 1.712 5 40 HDBB O=C(NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)NCc1ccc(F)cc1 12523253 VCTVJRBVFNQOKL-UHFFFAOYSA-N 415.425 1.882 5 40 HDBB O=C(COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 102129925 RJAOONCIKVTNNM-HUUCEWRRSA-N 401.375 1.418 5 40 HDBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1 1508489 UFODUUWFUJLULR-UHFFFAOYSA-N 421.431 1.877 5 40 HDBB CCN(CC)S(=O)(=O)c1ccc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 40152822 HGBOROQBFXDDRG-UHFFFAOYSA-N 414.528 1.884 5 40 HDBB NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 2556678 AMPDRPZPZHXQHZ-MRXNPFEDSA-N 401.375 1.808 5 40 HDBB O=c1[nH]c(/C=C/c2cc(I)ccc2O)c([N+](=O)[O-])c(=O)[nH]1 6321231 JXCSVXKFQTWNEG-HNQUOIGGSA-N 401.116 1.452 5 40 HDBB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 14236983 XUYKMFMIFRIFJD-YPMHNXCESA-N 414.436 1.184 5 40 HDBB Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] 20266384 GESAMZKFYPTQDZ-INIZCTEOSA-N 413.482 1.880 5 40 HDBB O=C(COc1cccnc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9662246 QQOITPZENYHSOW-UHFFFAOYSA-N 422.419 1.028 5 40 HDBB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)s1 17093519 ZVXAWXOJWZYGOW-UHFFFAOYSA-N 423.436 1.785 5 40 HDBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 27370014 GOZUBJRQBGSSHR-QAPCUYQASA-N 407.471 1.043 5 40 HDBB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1 95450504 JURBLADZJKOUOB-SECBINFHSA-N 406.258 1.967 5 40 HDBB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c([N+](=O)[O-])c1 102768617 FYCVBUQHXKODIT-CHWSQXEVSA-N 417.374 1.036 5 40 HDBB COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225007696 XUTMYLHZWNXQFO-UHFFFAOYSA-N 408.388 1.734 5 40 HDBB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)cc1[N+](=O)[O-] 19974116 YNRPWYVNVOKXKR-LBPRGKRZSA-N 411.422 1.940 5 40 HDBB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 40115935 RDJVCTGLMPPRAM-BXUZGUMPSA-N 407.404 1.805 5 40 HDBB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71980274 YWDWBSPPNZGAPH-HNNXBMFYSA-N 422.394 1.631 5 40 HDBB COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225038127 ODWWIXDMBGFSFJ-UHFFFAOYSA-N 408.388 1.750 5 40 HDBB Cc1cccn2c(=O)c3cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n(CCO)c3nc12 100894354 SFNYSRAUUDWHJR-HNNXBMFYSA-N 417.469 1.920 5 40 HDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1ccc2c(c1)OCCO2 224839671 POYZRDSJHCHVGZ-UHFFFAOYSA-N 408.388 1.954 5 40 HDBB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c([N+](=O)[O-])c1 12530595 ZPAJTGLQEDDWHE-CHWSQXEVSA-N 419.390 1.260 5 40 HDBB COc1cc(CCNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1OC 12934894 AHBNOOQTOICYGI-VXGBXAGGSA-N 403.457 1.098 5 40 HDBB O=C1CCCN1c1ccc(S(=O)(=O)NCCn2cc(Cl)c([N+](=O)[O-])n2)cc1 36614543 YIYMJZIUESYQMA-UHFFFAOYSA-N 413.843 1.550 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(N)=O)c1 9282923 XXOMGJNXEPWWOP-SNVBAGLBSA-N 423.403 1.435 5 40 HDBB CCOc1ccc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 44910311 QNKGLBFCJZXMRI-UHFFFAOYSA-N 408.436 1.634 5 40 HDBB CCOC(=O)C(C(=O)OCC)[C@H](C[N+](=O)[O-])c1cc2c(c(OC)c1OC)OCO2 66091340 VTGCMYUZRLWSEB-LLVKDONJSA-N 413.379 1.535 5 40 HDBB O=C(CN1C(=O)c2ccccc2C1=O)NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2382214975 KLOXFLOJIAXJCQ-UHFFFAOYSA-N 413.346 1.327 5 40 HDBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 18126641 LGKILSCEMDIKSY-FJIDUMEYSA-N 404.382 1.706 5 40 HDBB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 23107341 NQWAVKMPBPPPGL-GOSISDBHSA-N 416.409 1.862 5 40 HDBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 10256344 LMMSAWKURZSKJF-UHFFFAOYSA-N 420.389 1.674 5 40 HDBB CC(C)CN(C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 23540307 NFCVIRMABMQORE-OAHLLOKOSA-N 412.464 1.352 5 40 HDBB NS(=O)(=O)c1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)cc1[N+](=O)[O-] 600846545 ICNMMHKZHZGFCZ-MRXNPFEDSA-N 406.464 1.421 5 40 HDBB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12554199 KDYRSVCBEWCZCM-UHFFFAOYSA-N 409.450 1.931 5 40 HDBB COc1ccc([C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 23108176 LPLKDGZALCTHGN-GOSISDBHSA-N 421.475 1.955 5 40 HDBB Cc1ccccc1C(=O)NC1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 48375412 OKHGUWYTGAHHOL-UHFFFAOYSA-N 418.475 1.949 5 40 HDBB O=C(NCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)NC1CCCCC1 89780860 LPLFVXOGJZGXKO-UHFFFAOYSA-N 401.427 1.537 5 40 HDBB O=C(COc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccccc2)CC1 3382087 KAMDIOUBHVWLMG-UHFFFAOYSA-N 405.432 1.507 5 40 HDBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NCC(F)(F)F 9630659 SMMHOSHXAXJQFR-UHFFFAOYSA-N 420.329 1.105 5 40 HDBB C[C@@H]1OC2(C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccccc2[N+](=O)[O-])CN(C)C1=O 1889040946 PXCBLQHEKOIEGQ-ZSLAEUJXSA-N 409.464 1.526 5 40 HDBB O=C(Cn1nc(O)c2ccccc2c1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3429320 MXFMBJXWNCJCFS-UHFFFAOYSA-N 413.342 1.620 5 40 HDBB COc1ccc(CCNC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC 12760430 LWRUSUGRPQXIDE-QFBILLFUSA-N 419.434 1.548 5 40 HDBB COc1cccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 223775764 LOPJIMSSESVSDO-UHFFFAOYSA-N 423.447 1.565 5 40 HDBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 9166229 KUHQSUMGHCSFST-UHFFFAOYSA-N 415.435 1.081 5 40 HDBB C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SCCN)C[C@H]12 22000478 AGWVSGQOPDHMCH-WDBKCZKBSA-N 407.448 1.153 5 40 HDBB Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(CCO)CC3)c(O)n2n1 23157639 VAGVJRABHBKPDJ-HNNXBMFYSA-N 418.479 1.412 5 40 HDBB CN(C)C(=O)CN1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 39969497 SBMIQVOYRBQPOS-UHFFFAOYSA-N 403.483 1.044 5 40 HDBB O=C(OCn1nnc2ccccc2c1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8687994 DLZPUDJBGXLEHN-UHFFFAOYSA-N 411.374 1.351 5 40 HDBB CSc1nnc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1 225416736 SZCIDNNPDFZCAS-UHFFFAOYSA-N 417.494 1.881 5 40 HDBB CNc1cc(N2CCC[C@@H]2CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])ncn1 95467711 PBVWPINEJKQMIN-LLVKDONJSA-N 407.456 1.155 5 40 HDBB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 100961953 IXQKZKXFKWDJRZ-DLBZAZTESA-N 408.374 1.835 5 40 HDBB O=C1CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c2ccccc2N1 9119622 UFNVRDRWIRZZFU-UHFFFAOYSA-N 414.374 1.141 5 40 HDBB Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCC(=O)NCc2ccccc2)n1C 12427679 RHZDDFKKAZOHGB-UHFFFAOYSA-N 401.452 1.685 5 40 HDBB CC(C)CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 12989753 PXDNMZDIVLXUED-AWEZNQCLSA-N 407.452 1.461 5 40 HDBB O=C(CN1C(=O)S/C(=C2/SC(=O)NC2=O)C1=O)Nc1cccc([N+](=O)[O-])c1 65090534 ZUQVYSVZKCTQRE-MDZDMXLPSA-N 408.373 1.423 5 40 HDBB CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@@H](C)[C@@H]32)C1=O 16956635 UCPQMLNEVWWEOG-LLHLMSRXSA-N 416.434 1.606 5 40 HDBB Cc1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 71853538 LGJUXJBCBLXXTP-UHFFFAOYSA-N 401.485 1.797 5 40 HDBB CC/N=c1\nc(NCC)nc2n1[C@](O)(Nc1ccc(OCC)cc1[N+](=O)[O-])CS2 102916244 LZQIXOQCLNRBEV-QGZVFWFLSA-N 421.483 1.758 5 40 HDBB Cc1nn(CC(=O)NCCc2nc3cc([N+](=O)[O-])ccc3n2C)c(=O)c2ccccc12 8742542 LUBMQSRSSRVZKG-UHFFFAOYSA-N 420.429 1.859 5 40 HDBB O=C(Cn1nc(O)c2ccccc2c1=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9959896 CFHRRNFHNRPMHP-UHFFFAOYSA-N 423.341 1.804 5 40 HDBB CCN1CCN(CCNc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 31784493 XFEVQCPOSOATIQ-UHFFFAOYSA-N 413.544 1.675 5 40 HDBB COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225032662 BIKRGWVQEGADHH-UHFFFAOYSA-N 408.388 1.734 5 40 HDBB Cc1nc2ccccc2c(=O)n1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 6831960 SRUQIADITDTDON-UHFFFAOYSA-N 409.402 1.834 5 40 HDBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 223093678 MCKRMUZTJKAJDJ-UHFFFAOYSA-N 401.426 1.850 5 40 HDBB CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 30030085 BGFNAYCECZYZOQ-SFHVURJKSA-N 410.430 1.836 5 40 HDBB O=C1NC(=O)[C@H]2[C@H]1[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1c3ccccc3C=C[C@H]21 103516980 LGKILSCEMDIKSY-BDXSIMOUSA-N 404.382 1.706 5 40 HDBB