smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 12566897 CHOZAVVMCSXVMV-UHFFFAOYSA-N 513.538 4.908 5 40 KJBB CC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 12618897 SCHBBQYLQOVEHK-OAQYLSRUSA-N 512.316 4.853 5 40 KJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224319222 GARATOGUZUORSW-OAQYLSRUSA-N 503.983 4.502 5 40 KJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](CC(C)C)NC(=O)c2ccccc2Cl)n1C 409351954 ZRWFRXLUFHKZRG-HXUWFJFHSA-N 531.038 4.933 5 40 KJBB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)C(C)C)cc1 409363184 UDWHNBSIPLHOTM-FQEVSTJZSA-N 517.011 4.543 5 40 KJBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c2=O)=N1 164204124 AGGJIVWHVCIAIQ-OIUASMPBSA-N 707.783 4.580 5 40 KJBB C[C@H](O)[C@@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(OP(=O)(Oc3ccccc3)Oc3ccccc3)[C@@H](C)[C@H]12 256070452 STULDTCHQXVRIX-QXVOXHNYSA-N 594.513 4.990 5 40 KJBB CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565227 IZOBXDOSXJZXBG-DPQOWFAMSA-N 526.362 4.689 5 40 KJBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408646806 UPSPZJYWVFUOAH-ZDUSSCGKSA-N 512.305 4.826 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408855598 DVXYTTQQDXCOES-OIUASMPBSA-N 686.768 4.685 5 40 KJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1Cl 409198969 MTQXKCBSZFFLSK-APSNUPSMSA-N 510.753 4.994 5 40 KJBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CSc1ccc2ccccc2c1Br 3241866 LRYMRMHZYAQASR-UHFFFAOYSA-N 505.346 4.793 5 40 KJBB O=[N+]([O-])c1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(c3ccc(F)cc3)CC2)cc1 22852320 DMXOGUHBHPSMCN-NRFANRHFSA-N 520.546 4.715 5 40 KJBB CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)co2)s1 101036457 IPAGBRJRBLQBPX-UHFFFAOYSA-N 538.991 4.939 5 40 KJBB CCCn1/c(=N\C(=O)c2ccc(Cl)cc2Cl)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 102549114 TVDJILCQJBYLFR-IADYIPOJSA-N 513.381 4.592 5 40 KJBB COc1ccc(-c2nn3c(SCC(=O)N[C@H](C)[C@@H]4C[C@H]5CC[C@H]4C5)nc4ccc(Cl)cc4c3nc2=O)cc1 107530601 YDAVJUVDCXYOLK-JQZBISMTSA-N 550.084 5.000 5 40 KJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247292914 BMLVRFOSRIQLGW-LWSSLDFYSA-N 520.973 4.530 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 248081748 DETZSMXXXYDDKV-VZVHPENPSA-N 558.388 4.938 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 408768545 GYTZOFYMJOZUDT-CBYYHRJHSA-N 717.563 4.960 5 40 KJBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409100201 SZANGAKRXPVYMX-NNLQFVHNSA-N 551.371 4.543 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409275594 KJNCLDYQAOEJJS-UCQKPKSFSA-N 597.627 4.663 5 40 KJBB COc1ccc(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1 8792207 GNWOKHZZWPKMNQ-UHFFFAOYSA-N 509.518 4.635 5 40 KJBB biogenic CN(C(=O)C12C[C@H]3C[C@H](C1)CC(n1nc([N+](=O)[O-])nc1Br)(C3)C2)C12CC3CC(CC(C3)C1)C2 102440042 URPGJSVLNBLNOR-KOJDHNSCSA-N 518.456 4.672 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 102778727 COXQQRGMEDSJFB-ZJTZAHLKSA-N 620.083 4.948 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225647220 CUYJXFYWPNPTTB-JIPXPUAJSA-N 584.670 4.651 5 40 KJBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729812 DJLBVUKREBNXBB-VPHSIRQSSA-N 599.665 4.793 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733740 PMUHKEKZSUTCKS-UTWPHBJQSA-N 654.495 4.752 5 40 KJBB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408825511 DMAXZUBNRIATPD-ZSJKCPIUSA-N 577.590 4.503 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032059 IARJFSCAIMEMCV-VKSQQWFDSA-N 766.623 4.999 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC(C)C)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409365961 YCQNLAGQJKIWOB-UQDCTOEPSA-N 571.655 4.955 5 40 KJBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)N1CCN(c2ccc(F)cc2)CC1 8792177 ZAESDFFLBNJMPH-IBGZPJMESA-N 520.564 4.847 5 40 KJBB biogenic CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 165307810 RZDVFVIOQCRACT-XKZIYDEJSA-N 507.955 4.996 5 40 KJBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223152690 WRERTDPIWWZFLH-OAQYLSRUSA-N 587.098 4.777 5 40 KJBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225264008 KRENTINBLODJMZ-HSZRJFAPSA-N 629.563 4.933 5 40 KJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260988148 PJBZJHBRBCHREE-AMGIVPHBSA-N 566.680 4.512 5 40 KJBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 261063725 OGBJXNCTHMNTSZ-GIGWZHCTSA-N 594.734 4.532 5 40 KJBB Cc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1Cl 409157164 PDSLRHXHZYPIIB-IBGZPJMESA-N 502.984 4.533 5 40 KJBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc(I)cc1 409349405 PQXWMJMHWOLOAP-NVNXTCNLSA-N 543.726 4.528 5 40 KJBB O=C(c1cccc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 9601751 UPLOWGHQQPNZCI-UHFFFAOYSA-N 509.404 4.974 5 40 KJBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCCc1ccc(Cl)cc1 9860250 GLTIZUVRURXACN-UHFFFAOYSA-N 510.001 4.927 5 40 KJBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccco2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 31830084 KCDYBKMBGMAQNS-UHFFFAOYSA-N 503.471 4.608 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 59924386 ZXWGGJVURKHPHT-UHFFFAOYSA-N 584.054 4.571 5 40 KJBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccc(OC)c(OC)c4)c3)CC2)cc1Cl 100104679 NGBPGJYFQFLCLH-UHFFFAOYSA-N 555.031 4.891 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 163219331 XXVZREFXONMFTN-AQIZGWBQSA-N 624.469 4.738 5 40 KJBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222645835 PPAKTYQFYAPEKH-XMMPIXPASA-N 556.482 4.977 5 40 KJBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224626629 YJNGCFOSKGJIOD-NRFANRHFSA-N 617.124 4.702 5 40 KJBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1Br 248245217 LLNFKGPUGXKGRC-NGSHPTGOSA-N 574.387 4.764 5 40 KJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 408570276 KRKWJSOPYGXNIC-VIQOPKQKSA-N 553.369 4.505 5 40 KJBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 408732146 STHOHHHUZWEXTL-PKYOQBLNSA-N 599.665 4.793 5 40 KJBB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 16807627 PMTKSGBYVYHDDK-UHFFFAOYSA-N 509.540 4.833 5 40 KJBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc([C@@H]5CCCN(S(=O)(=O)c6ccccc6)C5)nc34)c12 98046192 LAROHTPUVOPKJC-CQSZACIVSA-N 532.573 4.783 5 40 KJBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N\C(=O)c1cc(OCC)c(OCC)c(OCC)c1 102400865 LXHPGUOGLHZNTR-GXVXDJONSA-N 614.655 4.713 5 40 KJBB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4cc(Br)c(O)c(OCC)c4)N(c4cccc([N+](=O)[O-])c4)O[C@H]3C2=O)cc1 105990242 GTUXVSNIMFGURM-JBRSBNLGSA-N 598.406 4.911 5 40 KJBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225530826 VFHXORXRDVWKAW-MHZLTWQESA-N 675.602 4.688 5 40 KJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 408568640 IDOSUKIQLLUJPD-VIQOPKQKSA-N 553.369 4.505 5 40 KJBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(O)n4)c(=O)n32)c(OC)c1 409099366 QPNJFXGOLSAXET-CWPZDHDOSA-N 696.767 4.755 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1 409207635 ZEJMHDDQSDOCPP-PCLIKHOPSA-N 589.586 4.680 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(F)c(F)c1F 409271344 BPFOKZNVPOJIDN-RQZCQDPDSA-N 503.414 4.947 5 40 KJBB CCOC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc(C)c1C 100766380 NILNZZSEIZWHAH-VSKRKVRLSA-N 521.551 4.501 5 40 KJBB COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1 408730342 FTLJTVDKWRXJOU-HVLDEAOBSA-N 524.529 4.742 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C45CC6CC(CC(C6)C4)C5)ccc3O)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 409087114 AQBVJRDLSZEYDX-QOUGJOIHSA-N 599.709 4.880 5 40 KJBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)c(Cl)c1 409258856 WFKLTUUBOGMLLD-UHFFFAOYSA-N 524.780 4.845 5 40 KJBB CCOC(=O)c1ccc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 2720961 VXHDFVTUJHEKGT-UHFFFAOYSA-N 543.561 4.683 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 100087359 CKHNICMIILUVAL-KRWDZBQOSA-N 530.002 4.738 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222815831 OZNQRBCFYUYYNU-NDEPHWFRSA-N 659.603 4.844 5 40 KJBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225714090 IJITYIIGGKHCDD-OAQYLSRUSA-N 631.549 4.742 5 40 KJBB O=C(OC[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 263610187 VXHVNMJAGDGKPI-ATIZSFMBSA-N 760.577 4.899 5 40 KJBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408649647 YTHVWQIVQSZTAU-UHFFFAOYSA-N 570.341 4.510 5 40 KJBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408661571 XJENIIRFWZFNDZ-ADCSMLMYSA-N 584.541 4.733 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408754394 UCEIUECDRBVDRO-VVOOWDFBSA-N 570.410 4.883 5 40 KJBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409097196 NESLMXJQXFQQIH-DTQASYIRSA-N 694.241 4.981 5 40 KJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2c(F)cccc2Cl)cc1 409302212 IAPYTZCTIVZNGI-UHFFFAOYSA-N 505.955 4.834 5 40 KJBB 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COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NS(C)(=O)=O 225437621 ZIWBJHWJGHCDFZ-DQEYMECFSA-N 565.633 4.807 5 40 KJBB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260979751 NVSGTBKAVZMKQN-LXFBAYGMSA-N 580.707 4.555 5 40 KJBB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260996527 OSDKUSBFIABDKS-JOCHJYFZSA-N 626.707 4.722 5 40 KJBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408565291 JGPXSKCDJCKQRQ-USCUKXROSA-N 517.557 4.858 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408831023 USJBSKBVJWIJOX-PNZYDNNZSA-N 564.019 4.928 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409088226 KJEXPQPXMQPGAX-VXLYETTFSA-N 565.398 4.933 5 40 KJBB CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409228758 DQIQWOUSFMRTPF-LICLKQGHSA-N 633.180 4.686 5 40 KJBB O=C(CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 3100915 HHGXBLGMFKVQAS-UHFFFAOYSA-N 511.357 4.787 5 40 KJBB CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101672774 LEZXTALPEUKNBI-XJUOHMSHSA-N 572.343 4.652 5 40 KJBB CCOC(=O)[C@@H](CC(C)C)NC(=O)c1c2nc3c(C(=O)N[C@H](CC(C)C)C(=O)OCC)cc(Br)c(C)c3oc-2c(C)c(=O)c1N 150382668 FAKYISMOYIKKCG-NHCUHLMSSA-N 689.604 4.670 5 40 KJBB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 225379051 FLJMIIAKEQHGEM-LJAQVGFWSA-N 610.708 4.589 5 40 KJBB CCC1(CC)C[C@H](NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c2ccccc2O1 225742639 FJLSSETVAVEYEG-DEOSSOPVSA-N 523.611 4.989 5 40 KJBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260867760 APLFOJBPKBUOHM-FIPFOOKPSA-N 580.707 4.821 5 40 KJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c1)[C@@H]1CCCN12 408569337 VRHMBRWPVPKASW-UQBYDPJISA-N 534.956 4.882 5 40 KJBB O=C(COC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 408739149 YLJORBGERGQYHH-HHHXNRCGSA-N 522.557 4.880 5 40 KJBB O=C(N[C@H](CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)OCC1c2ccccc2-c2ccccc21 642886962 QIVVRAUNWOIMQK-HSZRJFAPSA-N 520.498 4.687 5 40 KJBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](C)NC(=O)c1ccccc1 143118298 NFHGPUDGJYOHON-OAHLLOKOSA-N 537.627 4.552 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCOCC1 214300602 BKFYKWLWUIDVOV-YBFXNURJSA-N 641.294 4.594 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 224881299 JLMSYUDHMMGSSU-NDEPHWFRSA-N 643.162 4.722 5 40 KJBB CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 408949896 SOQBQPUEOAFILI-QUNTYYFUSA-N 650.109 4.956 5 40 KJBB NC(=O)COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409143392 LZQRCENYXBRCRR-GDLZYMKVSA-N 522.561 4.820 5 40 KJBB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 409159765 XDVLDSNMHDIARP-SFHVURJKSA-N 523.402 4.878 5 40 KJBB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409273765 SHXDIMGUSJZZOU-QPJBPQEWSA-N 595.121 4.985 5 40 KJBB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@H]1c1cc(OC)c(OC)c(OC)c1 409333406 GWWPXJSAJRNACM-QFIPXVFZSA-N 511.556 4.916 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)C)cc3OC(C)C)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409359930 OLFQMBWZQOLUDS-LXYLXTGBSA-N 579.675 4.589 5 40 KJBB O=C1N[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 17195683 VPRXUYOVNXDRRE-DBXWQHBBSA-N 509.824 4.612 5 40 KJBB COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 102455026 KTOUBDYTONPAPJ-UHFFFAOYSA-N 548.508 4.929 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 150389535 DSRQDDMZFACALU-KCQXITDRSA-N 684.521 4.755 5 40 KJBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224646495 PAOHWIZSUMQTHB-LJAQVGFWSA-N 624.760 4.995 5 40 KJBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224745893 XTJIVVICWCORDX-HHHXNRCGSA-N 584.670 4.509 5 40 KJBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1 408647241 UVIDINSIAJCXTG-LNYUQPRGSA-N 583.597 4.784 5 40 KJBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408651212 NHQDEGPVOMDBCQ-JWQCQUIFSA-N 632.423 4.768 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409100126 SNWNUBXUHIHMBM-LMCWBUNHSA-N 711.778 4.816 5 40 KJBB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409200036 FSHCGABHPUJKMR-SRZZPIQSSA-N 599.369 4.615 5 40 KJBB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2094435 KZJDIHYBFQCOAJ-NSYGIPOTSA-N 509.580 4.562 5 40 KJBB biogenic Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)no1 12372268 OQFUOQMBPCHOOC-UHFFFAOYSA-N 505.878 4.764 5 40 KJBB CCCOc1ccc2cc(-c3csc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)n3)c(=O)oc2c1 103026751 IIPJMARVZBLKIK-UHFFFAOYSA-N 536.566 4.702 5 40 KJBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408564723 FHGDRBVJPFVJJH-GJECAEJISA-N 511.937 4.589 5 40 KJBB COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]23)cc1 408729206 ALUXWNCZSNGEEB-HVLDEAOBSA-N 524.529 4.742 5 40 KJBB COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@]32c2ccccc2)cc1 9319182 YRHBIPLZZXSQFR-DURBRWELSA-N 521.529 4.976 5 40 KJBB COc1cc(-c2nc(NC(C)=O)c3c(=O)oc4ccccc4c3n2)ccc1OCC(=O)Nc1ccc(F)cc1 101488089 LSFOAAFKDNTRAJ-UHFFFAOYSA-N 528.496 4.527 5 40 KJBB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 102893278 NACQJOHCJVBLGN-KCHLEUMXSA-N 565.538 4.874 5 40 KJBB O=C(Nc1ccncc1)N[C@H](COC(=O)Nc1ccncc1)[C@H](OC(=O)Nc1ccncc1)c1ccc([N+](=O)[O-])cc1 103554536 GHXMQBQUFGZDTA-DNQXCXABSA-N 572.538 4.509 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)[C@@H](CC)c1ccccc1 103629673 LOHZXQJSDHJBGM-XWXMXUMOSA-N 534.616 4.690 5 40 KJBB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223841978 WJDPNPCCWBIOKY-SFHVURJKSA-N 593.489 4.650 5 40 KJBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224637192 MEUDOOQQUYGZDF-NDEPHWFRSA-N 580.707 4.678 5 40 KJBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] 224870407 QNOJMFLVKJLBGG-RUZDIDTESA-N 540.016 4.800 5 40 KJBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 225598267 BANSWPLCJQNMDW-CLJLJLNGSA-N 530.585 4.921 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225754389 YDBDDPPZUHFDOZ-SKCUWOTOSA-N 596.706 4.521 5 40 KJBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)c(Br)cc1OC 408570923 MJGVRJGLXCPSKI-LJQANCHMSA-N 511.373 4.995 5 40 KJBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408921914 CHDKBWKETPRTHT-UHFFFAOYSA-N 670.722 4.564 5 40 KJBB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 409066195 HLMXUPPVPZCZSU-QRVIBDJDSA-N 689.484 4.943 5 40 KJBB Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O 102548063 CSMNRWJAVWAZLV-IARZGTGTSA-N 585.594 4.722 5 40 KJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 103930498 HYRGEAAUZBBSMI-NEWJYFPISA-N 532.915 4.541 5 40 KJBB COc1cc(OCC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224220693 RVJUKRHNAHNKNH-SANMLTNESA-N 533.625 4.845 5 40 KJBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224238191 BGJLYZPRPNTAHR-RUZDIDTESA-N 540.016 4.802 5 40 KJBB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225413918 BILWPMCKSBHCGO-BJKOFHAPSA-N 535.607 4.798 5 40 KJBB COc1ccc(Cl)cc1-c1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)C(=O)O)n[nH]1 408632122 NOFVPINSBYTOIT-YBFXNURJSA-N 501.952 4.860 5 40 KJBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408678816 DHOHTLWBGPSOKK-UHFFFAOYSA-N 515.265 4.663 5 40 KJBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSC(=S)N4CCCC4)cc3s2)c([N+](=O)[O-])c1 409337486 UIWYTJZOTXALHC-UHFFFAOYSA-N 577.735 4.996 5 40 KJBB CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 100826154 QYIXGCVVLVHDDM-QHCPKHFHSA-N 549.030 4.550 5 40 KJBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Oc4ccc(C)c(C)c4)cc3)C2)c1 138961821 UZUYTFGMHZHDQH-LJQANCHMSA-N 533.537 4.547 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 205811504 WQWZTGHDWZIGMJ-HZHRSRAPSA-N 525.583 4.621 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409092235 UGYVGHMWSQVSBU-LXYLXTGBSA-N 667.538 4.667 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccccc1 409097166 MQBWICJVSBYESJ-KJANZVAVSA-N 621.700 4.785 5 40 KJBB Cc1cc(Br)ccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409138526 DDXNIMUJZPYIMR-FQEVSTJZSA-N 561.462 4.652 5 40 KJBB CCOC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 409144529 FXDZXLYZABNFKX-UHFFFAOYSA-N 543.623 4.546 5 40 KJBB Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)c1 8833173 ZEHFUNWPPZBVPY-UHFFFAOYSA-N 503.584 4.883 5 40 KJBB O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 97954747 KGBLZUFTTAWBDC-VJGNERBWSA-N 535.512 4.865 5 40 KJBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1N1CCN(c2ccccc2)CC1 100167678 SJZXIRDHLFEHSE-UHFFFAOYSA-N 576.506 4.739 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)C(c1ccccc1)c1ccccc1 103628016 VKXOSLUPMUWCAF-MDVFONAFSA-N 520.589 4.666 5 40 KJBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224124602 XDURYIPSLOYHOL-INIZCTEOSA-N 522.465 4.923 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408752482 ITIRCMIUHVFLSJ-PKYOQBLNSA-N 633.679 4.773 5 40 KJBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(O[C@@H](C)CC)c([N+](=O)[O-])c3)c2=O)=N1 409030919 FRHLYYUVPFMXDP-SAFOYCTISA-N 600.491 4.646 5 40 KJBB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 409054557 BTSJLEGXFVCKKA-UHFFFAOYSA-N 538.807 4.840 5 40 KJBB 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409048413 OLJBFOZXEHAXBL-ITIZVALFSA-N 660.543 4.664 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409100124 SNWNUBXUHIHMBM-KAEZHMCDSA-N 711.778 4.816 5 40 KJBB CCOC(=O)c1c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)sc2c1CCCC2 409137249 WDIJPOIQZXOHMF-UHFFFAOYSA-N 543.623 4.546 5 40 KJBB CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 8900200 QTTWVHRRHLPIPI-UHFFFAOYSA-N 500.559 4.760 5 40 KJBB Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 14274358 GGFCZJPLVBJUFH-UHFFFAOYSA-N 515.599 4.754 5 40 KJBB CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 18167050 JKALMILGQCTTEK-CYXNTTPDSA-N 517.538 4.833 5 40 KJBB O=c1/c(=C\c2cc([N+](=O)[O-])cc(Br)c2O)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 100954062 WFNZFVSTQKFNFU-SEXPAEGTSA-N 578.419 4.834 5 40 KJBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)cc([N+](=O)[O-])c5O)c(=O)n42)c2ccccc2CC3)c1 101964119 XURUVNPVDRGZDH-YXDQGSNCSA-N 590.455 4.704 5 40 KJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 104053085 HHRJCHMGVPRDHW-NEWJYFPISA-N 532.915 4.541 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223570187 SEWBYLSBXFXPMS-KDYSTLNUSA-N 631.151 4.578 5 40 KJBB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224115938 AKDIIBOJOUOTIH-XMMPIXPASA-N 617.124 4.704 5 40 KJBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224814264 ZKTAWYYBSKRBJN-KRWDZBQOSA-N 503.983 4.502 5 40 KJBB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225413946 BILWPMCKSBHCGO-DNQXCXABSA-N 535.607 4.798 5 40 KJBB COc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])cc2)cc1 408648189 VVAPODLUJKPOSS-UHFFFAOYSA-N 537.525 4.695 5 40 KJBB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1[N+](=O)[O-] 408690598 WARIYACUSHNCFZ-QMMMGPOBSA-N 549.150 4.683 5 40 KJBB CCOc1cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409189404 GFQAZCQTVRWWFR-YESAZDHWSA-N 514.490 4.965 5 40 KJBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)ccc1Cl 409199512 OGKNHHLQWAQBMF-IUXPMGMMSA-N 568.789 4.862 5 40 KJBB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C[C@@H]2CCCO2)cc1Cl 100258139 JHKZJHQCLJOGJH-IBGZPJMESA-N 531.038 4.978 5 40 KJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224470587 KGNMQVUCQUMOIF-HSZRJFAPSA-N 585.510 4.534 5 40 KJBB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260763113 GJRLLKFVBDMGFN-XMMPIXPASA-N 622.744 4.892 5 40 KJBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408657728 IYONMPRMHSANPE-MRXNPFEDSA-N 533.924 4.624 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408853270 QNFKLIFUXQXHJP-OBDCIHEFSA-N 677.757 4.570 5 40 KJBB Cc1cc(Br)c(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1C 409147087 VAWSBCYIRDUYJX-OAQYLSRUSA-N 575.489 4.961 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409274766 XPABLRXETQJBPM-FHMSYZJOSA-N 608.164 4.902 5 40 KJBB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274713 DCJBHGXKXGIJEW-UHFFFAOYSA-N 502.556 4.833 5 40 KJBB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 57222671 AWMOWQDCFPUXNR-UHFFFAOYSA-N 508.962 4.609 5 40 KJBB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c([N+](=O)[O-])c1 100338875 WXHPINWWRFMWMK-UHFFFAOYSA-N 574.703 4.958 5 40 KJBB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 104085943 VXTNABZIKKOBGZ-UHFFFAOYSA-N 529.018 4.628 5 40 KJBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222859919 BOHHPCBNUVKRDY-YTTGMZPUSA-N 660.749 4.502 5 40 KJBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225204044 WAUGFIAVADCFCS-QGZVFWFLSA-N 502.409 4.766 5 40 KJBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C 225278133 XUNJDGLTDDEARC-RRPNLBNLSA-N 542.621 4.851 5 40 KJBB CN(CCc1ccccc1)c1ncc(C(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(CCC2CCCCC2)n1 257209513 BQSMXXONKAIZDV-UHFFFAOYSA-N 551.669 4.695 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409040098 XQLCJPDBXDXWFE-GAPLDZIPSA-N 766.623 4.999 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC 409101993 ZNUKHVUQGFWTKZ-QTTRZTASSA-N 607.088 4.934 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1Cl 409204368 GATXVBGFKKNDDE-LMVGNEGFSA-N 621.071 4.946 5 40 KJBB O=C1[C@@H]2CC(c3ccccc3)=C3[C@H]4C=C[C@H]([C@H]5C(=O)N(c6cccc([N+](=O)[O-])c6)C(=O)[C@H]45)[C@@H]3[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 100283027 YFWYOSOEEHFARG-ZPYRHYKOSA-N 616.586 4.704 5 40 KJBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)cc([N+](=O)[O-])c5O)c(=O)n42)c2ccccc2CC3)c1 101964124 XURUVNPVDRGZDH-ITIZVALFSA-N 590.455 4.704 5 40 KJBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642790 NVYXWJLZJUUIKX-DSJQIVRYSA-N 626.021 4.761 5 40 KJBB Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1=O 408646841 IXIBXEHIHOXRSU-LJQANCHMSA-N 536.924 4.555 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl 408827768 MEOPVQPJRNFQPH-ZGOFBEGVSA-N 620.083 4.948 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC 409095537 HTWCUBLUVRVMPU-OGMUYLFESA-N 642.734 4.608 5 40 KJBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1-c1cccc([N+](=O)[O-])c1 409128995 LNANIWMJZCMWHB-UHFFFAOYSA-N 525.572 4.944 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409162118 RSTBCXNJOWNZEE-JBDHCHCMSA-N 661.762 4.672 5 40 KJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13680505 KFMBTEHSGIKSLO-GFCCVEGCSA-N 506.795 4.736 5 40 KJBB COc1cccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)c1 70708233 VALOHJBUXUGJGV-QGZVFWFLSA-N 537.572 4.701 5 40 KJBB biogenic O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1c(Br)cc([N+](=O)[O-])cc1Br 103105205 NZJIIQQDAWUPBJ-UHFFFAOYSA-N 542.058 4.814 5 40 KJBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)cc1Br 103546364 MAIXRGDQKGBNEC-MJTJJFPGSA-N 574.387 4.639 5 40 KJBB Cc1ccc(N(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1 150427842 JUMFDFAWAOSKKF-UHFFFAOYSA-N 693.565 4.877 5 40 KJBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1NC(C)=O 225326830 NYMZYZPGLJEOGI-UIOOFZCWSA-N 528.594 4.925 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409097518 GWEAUGJJVZEYEZ-OCEWKHMESA-N 577.062 4.925 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409174215 TYLGIVKCUJNCRU-UHFFFAOYSA-N 652.132 4.657 5 40 KJBB COc1cccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 409189561 QKZRDAXZKMXOCU-MOSHPQCFSA-N 523.295 4.930 5 40 KJBB O=C(COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc(Br)cc1 2147552 SXNAAAAGMDNTAN-UHFFFAOYSA-N 528.271 4.558 5 40 KJBB Cc1cccc(NS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)-c2c(cc(S(=O)(=O)Nc4cccc(C)c4)cc2[N+](=O)[O-])C3=O)c1 5344952 NKCAKXBTHQQPLO-UHFFFAOYSA-N 608.610 4.933 5 40 KJBB O=C(Oc1cccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 106745604 SREYZAPNACRJBZ-NKVSQWTQSA-N 550.461 4.867 5 40 KJBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222697893 ISIPAJZQFLDPLI-IBGZPJMESA-N 512.390 4.621 5 40 KJBB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224214506 BFGQNHSQGRABPA-NRFANRHFSA-N 587.098 4.633 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032840 DPEFUBHOTIUWLJ-DVUZPASPSA-N 726.558 4.680 5 40 KJBB O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Br)cc1 3653566 WYVMQYSWMDGJBE-UHFFFAOYSA-N 535.353 4.561 5 40 KJBB CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3[N+](=O)[O-])CC2)sc(C)c1-c1ccccc1 13112905 VDOVQPZMBYSSPJ-UHFFFAOYSA-N 508.600 4.569 5 40 KJBB O=c1c2c(NCCCN3CCOCC3)c(F)c(NCCCN3CCOCC3)c(F)c2sc2nc3cc(Cl)c(Cl)cc3n12 98006395 PFSXAEHKBWUZDG-UHFFFAOYSA-N 641.572 4.916 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 105511865 FHCLCYOGLIIDDC-USDTVRPUSA-N 599.665 4.603 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222587336 QLHWMDNPCHTIAR-PWUYWRBVSA-N 624.760 4.872 5 40 KJBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223570587 RZAAMHIIEIVQHH-HHHXNRCGSA-N 566.680 4.514 5 40 KJBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NS(C)(=O)=O 225490597 UCMUJPZNLVCIFL-LOSJGSFVSA-N 565.633 4.807 5 40 KJBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)nnc1-c1cc(OC)cc(OC)c1 408674878 LJXQZVRSWGCJGA-UHFFFAOYSA-N 507.366 4.628 5 40 KJBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682579 JRLOIQAONGOUKD-HCXPYDJZSA-N 574.549 4.953 5 40 KJBB COc1c(I)cc(I)cc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409264472 KKCZLIIUPOCLEO-FRKPEAEDSA-N 650.188 4.732 5 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CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n21 409012875 JCCFIRPHVOQVIY-PQRKSKNISA-N 647.706 4.699 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)N1CCN(c2ccccc2)CC1 409015313 ZMGWPIOHXCSYGV-MTDXEUNCSA-N 581.654 4.983 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409344935 LPPVNLJJOXJJBV-PIXWUVMMSA-N 614.636 4.502 5 40 KJBB Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc(Br)cc2C(=S)N2CCCCC2)cc1[N+](=O)[O-] 8763146 QAKYOXKYSJBVMO-UHFFFAOYSA-N 508.350 4.955 5 40 KJBB O=c1c2ccccc2c(=O)c2c1c(NCCCN1CCC3(CC1)OCCO3)cc1oc3ccccc3[nH]c12 9016117 NQVRFGMWLHFLND-UHFFFAOYSA-N 511.578 4.582 5 40 KJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224163514 MBQYLVWHOPLTMO-GDLZYMKVSA-N 592.718 4.965 5 40 KJBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225224147 MGXPTTRLPALLOB-CLJLJLNGSA-N 528.594 4.543 5 40 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CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(Br)cc([N+](=O)[O-])c3O)c2=O)=N1 409032791 DJFQZVIMHCZDNA-BJJGPXNVSA-N 681.359 4.726 5 40 KJBB CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N(C)C1=S 409047938 VGRLSOIJCYHLMH-SXGWCWSVSA-N 541.221 4.728 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)N1CCN(c2ccccc2)CC1 409193573 GXYZCOJIGBVJKB-HZHRSRAPSA-N 552.996 4.893 5 40 KJBB O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)c1cccc([N+](=O)[O-])c1 102909047 PYHZEHVNSFMADR-UHFFFAOYSA-N 522.507 4.750 5 40 KJBB COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC 106727566 FUKVKFHABCFJOE-OYKKKHCWSA-N 549.561 4.866 5 40 KJBB COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC(C)C)cc1 225674323 XKCUWWXTYCIQBD-NRFANRHFSA-N 647.150 4.711 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260950341 SKRULWHZKXQPIM-MUUNZHRXSA-N 659.603 4.844 5 40 KJBB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1=O 408649161 KQRCHNFQWAOYOE-QHCPKHFHSA-N 544.560 4.718 5 40 KJBB O=c1/c(=C/c2cc([N+](=O)[O-])cc(Br)c2O)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408758056 UUVRDNJIYDPMNN-RWTNITNYSA-N 560.429 4.695 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408859994 WWEVVHFYTVJXRH-PKYOQBLNSA-N 627.675 4.713 5 40 KJBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409097200 NESLMXJQXFQQIH-LBFZPMSMSA-N 694.241 4.981 5 40 KJBB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409107237 QDXUCNRWTBYJFY-WSDLNYQXSA-N 642.406 4.627 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OCC)cc1 409205493 NXOFUMUSNHFDBQ-OBDCIHEFSA-N 629.691 4.693 5 40 KJBB COc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409263931 CYZDAQDTBQKKRJ-UHFFFAOYSA-N 552.378 4.647 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409272119 OQHDFSWCPJGJLF-RMORIDSASA-N 619.580 4.633 5 40 KJBB CCOC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)sc2c1CCCC2 101125592 RKULNISVQLWWTA-VXNXHJTFSA-N 547.589 4.763 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC 105516167 OGMFATJGMBFYEA-AQIZGWBQSA-N 580.018 4.629 5 40 KJBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224449285 VLFMOGYJQDUVHG-RUZDIDTESA-N 584.467 4.911 5 40 KJBB CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408665621 UJXVWXONTHSNMO-GHOGMSORSA-N 607.446 4.939 5 40 KJBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 14404818 QKULEHJMBYDMAS-UHFFFAOYSA-N 500.471 4.810 5 40 KJBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3o2)cc1 16691977 FEFWPVJPUGDMCQ-UHFFFAOYSA-N 507.484 4.837 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1cccs1 100087896 CUQCNZBVEFILEU-FNUHDPNESA-N 600.472 4.791 5 40 KJBB CC1=NN(c2ccc(F)cc2)C(=O)[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)c1c(C)nn(-c2ccc(F)cc2)c1O 101622842 XZOIJUHMBUKQTL-ZCYQVOJMSA-N 533.491 4.949 5 40 KJBB C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Br)cc1 103115101 UPVVQYMNLVAUPJ-AWEZNQCLSA-N 533.356 4.586 5 40 KJBB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223038085 FKFCFIDBOAORBN-XMMPIXPASA-N 617.124 4.622 5 40 KJBB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223694534 WDPHZDKPCSKAID-NDEPHWFRSA-N 624.760 4.872 5 40 KJBB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O 409048075 QZRPKFQQWYJKKM-YBFXNURJSA-N 520.947 4.825 5 40 KJBB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2N2CCCCC2)cc1 13146341 CYGDVEZMXJPANY-UHFFFAOYSA-N 510.572 4.647 5 40 KJBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 21579831 OEZMHAWKIGBQRA-UHFFFAOYSA-N 508.962 4.780 5 40 KJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 63684572 ODMPTMZAVMUCBV-NEWJYFPISA-N 520.973 4.530 5 40 KJBB O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 100374670 JAVKJBXMELBHSI-UHFFFAOYSA-N 585.617 4.611 5 40 KJBB COc1ccc(OC)c(-c2nnc(NC(=O)CSc3nnc(NC(=O)c4cc(Cl)ccc4[N+](=O)[O-])s3)s2)c1 100816907 GQCSMKLGJSYVBT-UHFFFAOYSA-N 594.056 4.619 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1c(-c2ccccc2Cl)noc1C 101176676 BEIUDBGVXHLUPW-FSRJSHLRSA-N 560.010 4.840 5 40 KJBB CCOC(=O)c1sc(N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C(=O)OCC)c1C 101333025 WJMNMTZKBGMJCX-IBGZPJMESA-N 552.820 4.856 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(C)cc1 408824653 IUGKMTZFDSFDOT-ZDGAQAAHSA-N 564.019 4.928 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409002972 XQJNCZYMYAZHGJ-OGEXXFCLSA-N 613.692 4.984 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409095574 DCIJWWTUEKRHAA-ZNRKBWGRSA-N 681.752 4.802 5 40 KJBB COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)COc1ccc2c3ccnc4c5ccc(OC)c(OC)c5c(=O)n(c2c1)c34 524732124 YNUWKVUMUNAHLU-WXVAWEFUSA-N 612.727 4.727 5 40 KJBB biogenic Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)c3ccc([N+](=O)[O-])cc3)c3cc(Br)ccc32)c1 8927696 ZKBYKWJMKYCEPR-RUZDIDTESA-N 509.356 4.982 5 40 KJBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1)c1cccs1 9271733 SWPYGZRZKNCKRK-UHFFFAOYSA-N 516.048 4.759 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260926571 JVFRKZNLCYVMNL-MUUNZHRXSA-N 615.152 4.735 5 40 KJBB CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n21 409013381 KAQVUSMLXDIIPZ-PQRKSKNISA-N 617.680 4.690 5 40 KJBB Cc1cc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)ccc1Br 409146448 SRDCJNXIGVDIOM-FQEVSTJZSA-N 561.462 4.652 5 40 KJBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 19856871 WFMXHCVPSANECZ-UHFFFAOYSA-N 503.964 4.708 5 40 KJBB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1 70708341 ZNJPSMMNUUREGT-QGZVFWFLSA-N 537.572 4.701 5 40 KJBB biogenic COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 409152570 JKPHWXJWJVMPCA-WSDLNYQXSA-N 550.505 4.979 5 40 KJBB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1[N+](=O)[O-] 409179201 NRTPNWHATUFGDZ-UHFFFAOYSA-N 516.384 4.812 5 40 KJBB COc1cccc(CCc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 585265839 VSGZWGPFOZAGTK-UHFFFAOYSA-N 615.712 4.756 5 40 KJBB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 97981586 QIGDVIZCDVFYEJ-UHFFFAOYSA-N 529.018 4.914 5 40 KJBB O=C(NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306743 ZDICDBMSDFXVAS-UHFFFAOYSA-N 545.577 4.557 5 40 KJBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)c(C)c1 112241618 MZKGIVKCCYOUHZ-UHFFFAOYSA-N 602.721 4.755 5 40 KJBB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223867179 NVCYBPPECBLCNT-FQEVSTJZSA-N 635.114 4.843 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 408576082 XHHHLULBDFPSAX-LCILEWSWSA-N 556.388 4.744 5 40 KJBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)N[C@H](C)c4ccccc4)cc3c3ccnc2c31 8792381 OLTVIIHJWMTJOZ-QGZVFWFLSA-N 507.546 4.865 5 40 KJBB biogenic CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)scc12 11757919 PLMDGVYDUOIAGK-UHFFFAOYSA-N 516.894 4.577 5 40 KJBB 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KJBB CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 13591210 XVHYYQYPDUPUHJ-NRFANRHFSA-N 509.580 4.711 5 40 KJBB O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105353145 DJZXNNHZJAINRY-UHFFFAOYSA-N 542.898 4.902 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 207306703 MXBPLJZCGDKJLY-KEQCBNTKSA-N 610.044 4.637 5 40 KJBB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223842121 MWMUBOHRLNBXAZ-SFHVURJKSA-N 593.489 4.650 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 260802671 PRJSFZPIMWIFMG-GOSISDBHSA-N 599.537 4.842 5 40 KJBB O=C([C@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 33353680 LZZQHVXNDUEHSV-NRFANRHFSA-N 535.000 4.529 5 40 KJBB O=C(NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O)c1cc([N+](=O)[O-])ccc1Br 100009061 SJQKXLILMWVDEI-UHFFFAOYSA-N 582.024 4.707 5 40 KJBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224553884 DHXUQJAMJMCKIE-AREMUKBSSA-N 621.543 4.834 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 408829543 FWSJENDIAWGHQT-JCAJYURWSA-N 606.882 4.521 5 40 KJBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n21 409087592 IZHPOSYYUOQIHF-FVTDTAELSA-N 712.604 4.821 5 40 KJBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409245391 SCEGZNHIQJOWQO-NDENLUEZSA-N 539.342 4.711 5 40 KJBB COc1ccc(CCNc2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)ccc2[N+](=O)[O-])cc1OC 6162711 KFXZEZGLNFQLPN-UHFFFAOYSA-N 525.005 4.882 5 40 KJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1ccccc1Cl 6906643 BAVXFVBJYZIHOE-UHFFFAOYSA-N 523.958 4.935 5 40 KJBB COc1ccccc1N1CCN(c2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc2[N+](=O)[O-])CC1 100280405 OEVNZCMKQPJDNP-UHFFFAOYSA-N 536.032 4.546 5 40 KJBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409193960 IXKPFFQKPOAKLQ-YBFXNURJSA-N 501.473 4.675 5 40 KJBB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C(=O)[C@]3(C)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])c1 8383275 QICJCQWEUWRYLQ-VTSWADQVSA-N 508.530 4.929 5 40 KJBB CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 20489956 KZVHCRXASFAHNO-XMMPIXPASA-N 511.600 4.683 5 40 KJBB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 112253967 HXQRSHJMXXITQU-UHFFFAOYSA-N 582.418 4.839 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 150396490 WXXDYLRBUSTYKL-MXLMUYMQSA-N 651.653 4.841 5 40 KJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 225410837 DBSBEPHDZJXKNR-JWQCQUIFSA-N 565.633 4.807 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225684664 ISNDDUFPOGXZCJ-HTAPYJJXSA-N 587.526 4.698 5 40 KJBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408570095 YULBYGWGLJFEKZ-NLRIEGLYSA-N 511.937 4.589 5 40 KJBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408650217 LYWUWRSCOXKJAK-IHKGIWLBSA-N 599.983 4.515 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 408906399 JBXUEQKKJYNXKV-PQRKSKNISA-N 629.691 4.693 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(Br)cc1 409175215 XUSMPDKYDRMJOF-UDWIEESQSA-N 541.383 4.882 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccccc3Cl)C2=O)o1 409398288 COEMUOKTDFYOOA-NVMNQCDNSA-N 546.319 4.953 5 40 KJBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1Cl 2149584 TXRMVICKKCKMHD-JYFHCDHNSA-N 500.942 4.615 5 40 KJBB biogenic COc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1OC 8903896 DAYZJGUSTOVNSD-UHFFFAOYSA-N 504.499 4.509 5 40 KJBB CCOc1ccc(CNc2nc(NCc3ccc(OCC)cc3)n(C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 9948646 WMHCNNLHSZVJQJ-UHFFFAOYSA-N 516.558 4.896 5 40 KJBB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 20153119 PKMLDXYRUCWNDK-UHFFFAOYSA-N 524.599 4.719 5 40 KJBB COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 59331879 MYCMBJBMSZMHFQ-UHFFFAOYSA-N 516.510 4.691 5 40 KJBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)c1 60028243 AHNUFTHYGJGRKJ-UHFFFAOYSA-N 516.384 4.644 5 40 KJBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc([N+](=O)[O-])cc(Br)c4O)c(=O)n31)c1ccccc1CC2 104655048 MEWAPZLRWLJWQD-PLQXQRLBSA-N 590.455 4.704 5 40 KJBB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222880796 NKDYFOYVXQZSEC-NRFANRHFSA-N 614.696 4.578 5 40 KJBB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223885702 XQMRPBQNVDQRCH-GOSISDBHSA-N 593.489 4.650 5 40 KJBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225556576 ODISXCIIUWECKH-MUUNZHRXSA-N 659.603 4.988 5 40 KJBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408649376 XVJNLQQCCMOLRN-XSAAJHIVSA-N 670.472 4.870 5 40 KJBB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)CC3=O)cc2)cc1C 408659110 MADFSHXMCLQSAX-HXUWFJFHSA-N 517.538 4.847 5 40 KJBB Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-] 408687849 PLPMJXRKYCFLEE-WQPXKOACSA-N 581.625 4.692 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 408995771 DQAVJJFMEZAUTK-YMSBRDKKSA-N 594.443 4.729 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 2774698 XLZBKPDEZLTLAH-YVBHXKDBSA-N 596.640 4.849 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 6545197 DPBDCALHDKXFTH-QARYAGPDSA-N 610.044 4.637 5 40 KJBB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC 12532724 KGOLMBPUVNDUFK-JYNAJPCDSA-N 521.551 4.608 5 40 KJBB O=c1/c(=C\c2cc([N+](=O)[O-])ccc2O)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 17167036 ZRBFBSWTNHUGRD-ZDGAQAAHSA-N 515.978 4.586 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223621697 PGWRNYHKIBAQOG-JIPXPUAJSA-N 601.125 4.569 5 40 KJBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224023746 YYLSQZJBRNEIGL-FQEVSTJZSA-N 587.098 4.776 5 40 KJBB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224955672 HBQUAFORPDZDIC-GDLZYMKVSA-N 624.760 4.729 5 40 KJBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225532685 HOFOHQJSWTWBGD-NDEPHWFRSA-N 659.603 4.988 5 40 KJBB COc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 408645471 KTIATAVBHXXMDB-UHFFFAOYSA-N 507.499 4.686 5 40 KJBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408660203 WLCDBWYZMHWQBR-PLQXJYEYSA-N 587.972 4.659 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409035429 SRQXUXKMWPTGGT-HTDPGAKESA-N 731.780 4.635 5 40 KJBB COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 409149548 JOJGCJXIOVAYQS-ORVZPOCUSA-N 631.736 4.662 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409270536 HDJJHRZZAAFFDY-YDZHTSKRSA-N 570.580 4.989 5 40 KJBB Cc1c(N(S(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 2728382 DJYBDYVXMKTLOH-UHFFFAOYSA-N 501.369 4.794 5 40 KJBB O=C(CSc1cn(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12)Nc1ccc(F)cc1F 9277291 HKZUYQFZKVGHBT-UHFFFAOYSA-N 510.522 4.989 5 40 KJBB C[C@H](Nc1nc(Nc2ccccc2F)nc(Nc2ccccc2F)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 9933756 VIGRRCQSMMAOEO-AWEZNQCLSA-N 506.473 4.984 5 40 KJBB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O 102892746 BCBUTPALVKTCJX-GIWBLDEGSA-N 554.353 4.513 5 40 KJBB CCOC(=O)c1c(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)sc2c1CCCC2 105906396 RKULNISVQLWWTA-KMDXXIMOSA-N 547.589 4.763 5 40 KJBB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 224356791 ZDFFSWQKCIWSBR-SZXQPVLSSA-N 535.622 4.505 5 40 KJBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225383473 CMCPUQXRNSHKFC-MHZLTWQESA-N 601.125 4.571 5 40 KJBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 261069264 PGWRNYHKIBAQOG-ZBLYBZFDSA-N 601.125 4.569 5 40 KJBB Cc1ccc(-n2c(SCC(=O)Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)nnc2-c2cc(Br)ccc2O)c(C)c1 408542656 KMWAUTLXACDBGU-UHFFFAOYSA-N 638.504 4.849 5 40 KJBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408649326 XSYOWGZLZCGABM-FTJBHMTQSA-N 584.541 4.877 5 40 KJBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c2=O)=N1 409034004 MORZDSBJUSIZRJ-KMBIYUNPSA-N 679.505 4.956 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cc(OC)ccc1OC 409102561 DHOHRGKWSGIIMH-DBHVVYFFSA-N 672.760 4.617 5 40 KJBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409204865 CQRMDRKSZOFVSS-NGZBARDMSA-N 500.529 4.560 5 40 KJBB CCN(CC)CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(OC)ccc2OC)cs1 6511255 VTXCQRJHULLHDP-UHFFFAOYSA-N 528.631 4.879 5 40 KJBB COc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1OC 8792151 ZTNRUJPLXJDQQF-KRWDZBQOSA-N 507.546 4.693 5 40 KJBB biogenic COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100303163 ZBUOXKIQBUWOTJ-SUAMDDGLSA-N 573.627 4.708 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cccc(Br)c1 100820891 FQGUXFSPENYMKU-KRUMMXJUSA-N 549.425 4.835 5 40 KJBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 102895219 JJWRMUDJDIYGKZ-PKTNWEFCSA-N 565.538 4.874 5 40 KJBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc([N+](=O)[O-])c1O 104656255 VFQXCNAOKLJXQB-CBYYHRJHSA-N 590.455 4.704 5 40 KJBB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)cc1 139306458 MLRIJGKMHHGBBU-INIZCTEOSA-N 551.654 4.685 5 40 KJBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NS(C)(=O)=O 225462324 ARMURJYIOVPIOW-RPBOFIJWSA-N 548.650 4.638 5 40 KJBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2ccco2)cc1 408643896 GPKVNCLPWDNCDS-QFIPXVFZSA-N 554.511 4.853 5 40 KJBB O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408648997 YZVRAMLKKPSFRC-CYBMUJFWSA-N 540.315 4.661 5 40 KJBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408683177 KRCJNYFARDNWRJ-RAWLKHAVSA-N 602.559 4.635 5 40 KJBB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 6280075 CZLKJHKPFAJFKQ-UHFFFAOYSA-N 503.540 4.668 5 40 KJBB O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)N1CCN(c2ccccc2)CC1 33356294 SVIHFCKSNXQRBN-AREMUKBSSA-N 568.659 4.616 5 40 KJBB Cc1c(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408549976 CJQBXVJUNSELDK-OEAKJJBVSA-N 504.568 4.565 5 40 KJBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408569390 WHSGSRILYXEQJE-ZNCVFPSASA-N 556.388 4.698 5 40 KJBB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)OCC(=O)c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]2C1 408675529 BETFFXSIGZHEDG-FTJBHMTQSA-N 567.554 4.733 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733163 FMXNBBVFORVWRR-PLQXQRLBSA-N 564.019 4.928 5 40 KJBB O=C1S/C(=C\c2cc(Br)c(I)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408950536 GEQSBDVNQFBEBY-SDQBBNPISA-N 535.113 4.791 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409041969 WQKGDMIHAOKORM-GHLYMGRZSA-N 762.750 4.756 5 40 KJBB CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2092465 XUGALSPKZBREAH-HSZRJFAPSA-N 509.580 4.624 5 40 KJBB biogenic O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(c4ccccc4)CC3)c2)CC1 9971662 YQYUPVHIRNBEBP-UHFFFAOYSA-N 506.006 4.537 5 40 KJBB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 12861079 PIHVMHXGVJZCDW-OAHLLOKOSA-N 510.538 4.628 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 103628907 KOUAVOQNZUONOU-KRUMMXJUSA-N 549.971 4.634 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408992733 BISXUSRXIHWSED-ZEKHAJRLSA-N 587.679 4.574 5 40 KJBB CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409135630 RLRGQNFMJMDQPX-OAQYLSRUSA-N 514.583 4.512 5 40 KJBB COc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n2)c([N+](=O)[O-])c1 409162548 FTBNXZFJYZDVPK-IBGZPJMESA-N 553.428 4.886 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409274745 XHCSMCALIKKVPR-LFVJCYFKSA-N 504.520 4.972 5 40 KJBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1 21124120 YKIOSFYWKDJYJU-UHFFFAOYSA-N 527.625 4.972 5 40 KJBB O=[N+]([O-])c1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(c3ccccc3F)CC2)cc1 22852318 DXQARLOZXYBOTF-OAQYLSRUSA-N 520.546 4.715 5 40 KJBB O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 408671531 YYFPOZGKTBSYDP-DDBVPJQNSA-N 536.371 4.517 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409106667 SGKRIYGRTILKMF-QPJBPQEWSA-N 607.088 4.934 5 40 KJBB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 409180960 ZRLHVQYXYYONJX-UHFFFAOYSA-N 517.943 4.939 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409181276 AOWCMFREOLUZGW-BJJGPXNVSA-N 635.334 4.848 5 40 KJBB Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)C(C)C)c1 409348774 SSMBFIZWUHMXSU-HXUWFJFHSA-N 517.011 4.543 5 40 KJBB CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 26688632 JCCGAXFVNNFHND-OAQYLSRUSA-N 508.918 4.643 5 40 KJBB CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC 102742446 RXTZBZXMDAUWOR-UODIDJSMSA-N 517.538 4.833 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1cccc2ccccc12 103629470 SIBMPHHJNVWCBE-BNIPGBBVSA-N 528.568 4.769 5 40 KJBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224473028 KADRIGMWPXHMGK-AREMUKBSSA-N 645.576 4.678 5 40 KJBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1 225598025 GYYYINHGEUSKML-UIOOFZCWSA-N 530.585 4.921 5 40 KJBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408567834 RVEXVXTYUPBGQW-DEEGFUGBSA-N 517.557 4.858 5 40 KJBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3)CC2=O)cc1[N+](=O)[O-] 408639645 GNHKPIGXIQLIFR-IBGZPJMESA-N 580.391 4.697 5 40 KJBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642796 NVYXWJLZJUUIKX-QWQRAZBHSA-N 626.021 4.761 5 40 KJBB COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n21 409098961 RPRRHGRZKSDLCV-AMXTYKKZSA-N 668.153 4.712 5 40 KJBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1C 409125265 CTWYNLGRTHHZCI-IBGZPJMESA-N 537.429 4.888 5 40 KJBB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1=S 409165853 AWFKNJOCHJFYCA-UHFFFAOYSA-N 551.654 4.651 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409198257 AYWXBUKYSPVREL-ZGOFBEGVSA-N 573.627 4.674 5 40 KJBB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 59331816 PYKXZKQJXWFQAA-UHFFFAOYSA-N 531.082 4.507 5 40 KJBB O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(=O)[nH]3)o2)ccc1Cl 100168944 IWXGLGZMCKWBLD-DHZHZOJOSA-N 561.894 4.875 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)ccc3O)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732999 CPDSDMBQYBVXJX-QJWUKVPRSA-N 691.887 4.930 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408938111 HDEITBGZFJYXGU-ORVZPOCUSA-N 606.056 4.557 5 40 KJBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409038317 VHBHLSVRONLZMV-QPJBPQEWSA-N 573.627 4.754 5 40 KJBB CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCCC2 409116255 UNFDUMKQTWRWSO-UHFFFAOYSA-N 587.676 4.863 5 40 KJBB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 12542384 CAFZPTBKDNWOFH-CSKARUKUSA-N 503.342 4.958 5 40 KJBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 224927330 YHANAULOEOVOFY-NDEPHWFRSA-N 613.136 4.713 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCCC1 408551959 PSQOWJKEPNXGAY-UDWIEESQSA-N 546.399 4.595 5 40 KJBB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 97945680 UDYJYXCYVXOEQO-UHFFFAOYSA-N 534.521 4.748 5 40 KJBB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1 111467729 ZOHSTWZKGZUQCQ-GJFKPFFXSA-N 579.656 4.817 5 40 KJBB O=C(O[C@@H]1CO[C@@H](n2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150369775 XGXWCISBJRGTOH-CXDXLJMYSA-N 624.558 4.708 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223212985 PERZVHIAIGFPSN-LEWJYISDSA-N 631.549 4.885 5 40 KJBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223233723 BDDMWLYVACUAAK-WJOKGBTCSA-N 614.724 4.875 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 260961872 HDUQBFCIJUKATP-HHHXNRCGSA-N 659.603 4.987 5 40 KJBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408649965 FKBHULLDYXLHHK-MWWUWEJHSA-N 536.371 4.515 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408732883 AGEBTTNISLIKFL-NFYDWNOTSA-N 685.496 4.888 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br 409094001 CGSOHLVYGXSFCM-LNXFQTKESA-N 712.604 4.818 5 40 KJBB O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc12 32124995 UTBVBRZBAFMJEB-BKUYFWCQSA-N 509.565 4.507 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(Cl)cc1)N1C=Cc3ccccc3[C@@H]21 36001088 GMBBJCGUZTZBPE-NDBXHCKUSA-N 513.937 4.955 5 40 KJBB COc1ccc(CCNC(=O)c2cc3c4ccccc4n4c(=O)c5c(OC)c(OC)ccc5c(n2)c34)cc1OC 70708421 YHJWDZZGUIRARC-UHFFFAOYSA-N 537.572 4.599 5 40 KJBB biogenic CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1Br 105748889 KTAKMXAFBONOSL-UHFFFAOYSA-N 576.517 4.583 5 40 KJBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225419454 VLUYLRZETWBMEP-HHHXNRCGSA-N 631.151 4.579 5 40 KJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 409148185 OWZUSHKIAUABJQ-UHFFFAOYSA-N 510.355 4.744 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409174876 UWRVGGKJXMIBDF-UHFFFAOYSA-N 522.023 4.767 5 40 KJBB CC(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 9360204 HXLIQMCRPKSYOP-LSMVNSQTSA-N 507.546 4.856 5 40 KJBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN23)cc1 16038739 QKOKFEDFPJKHSQ-YCAMKHIRSA-N 506.356 4.843 5 40 KJBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 59924667 YLKHCVMOMHGQCF-UHFFFAOYSA-N 516.384 4.644 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 100303697 ZVLPBVIHSKXJJG-UAMLYEQYSA-N 608.676 4.718 5 40 KJBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(Br)cc4)c(=N)n(C4CCCCC4)c3nc12 101083691 PMSCXXSQHAKGFT-UHFFFAOYSA-N 527.444 4.538 5 40 KJBB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O 102892744 BCBUTPALVKTCJX-XPNTWCBSSA-N 554.353 4.513 5 40 KJBB O=C(O)CCCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@H]2[C@H]1Sc1[nH]c(=S)sc1[C@H]2c1ccc([N+](=O)[O-])cc1 245225757 MDBVAAJZKJOXDA-VYWDLEIRSA-N 559.691 4.832 5 40 KJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2cccc(F)c2)c(Br)c1 408568137 HTJUIBMHQYMNBU-VIQOPKQKSA-N 526.362 4.735 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408568361 UALJGRPQEHCHEL-DXVCBPPPSA-N 509.562 4.996 5 40 KJBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408645741 HZKDWERMXOEPAP-YXVKNGOVSA-N 601.999 4.739 5 40 KJBB COc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 409311557 AODYEDYOQLRUDE-UHFFFAOYSA-N 584.832 4.862 5 40 KJBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 102098904 VMVRCAUWDDNIQD-BUSIPVBWSA-N 524.529 4.564 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223793043 HEMINTSDUHUXIB-JIPXPUAJSA-N 675.602 4.687 5 40 KJBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223884250 PEXAKOJWCHWRPH-QFIPXVFZSA-N 587.526 4.700 5 40 KJBB CC[C@@H](C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260793267 HQZHOGRWXFVVDD-SFTDATJTSA-N 503.621 4.647 5 40 KJBB CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2F)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565937 MFUVZMLSLUTHOI-DPQOWFAMSA-N 526.362 4.689 5 40 KJBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C1=O 408919226 VASMTHWCERVKOL-NFJKTXFASA-N 505.324 4.507 5 40 KJBB COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n21 409103636 CTPCGCBKARKCDF-FVTDTAELSA-N 668.153 4.712 5 40 KJBB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409138699 GUECVNKNMZDNRZ-NRFANRHFSA-N 510.620 4.681 5 40 KJBB Cc1cc(Br)c(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1C 409154773 OZULIAZRRNKJIT-FQEVSTJZSA-N 561.462 4.950 5 40 KJBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O 409199559 PASAXUUOEHMKNU-NPNVKNKFSA-N 531.499 4.682 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC 105516172 OGMFATJGMBFYEA-ZDGAQAAHSA-N 580.018 4.629 5 40 KJBB COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225197979 QUOKIYUSFOWNLL-QGZVFWFLSA-N 548.434 4.611 5 40 KJBB CS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 260982532 LISSUUCYZGVAFM-MUUNZHRXSA-N 613.136 4.713 5 40 KJBB O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408648999 YZVRAMLKKPSFRC-ZDUSSCGKSA-N 540.315 4.661 5 40 KJBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OC(C)=O 408774614 PYMBCQIQCLZBCE-LXYLXTGBSA-N 632.492 4.923 5 40 KJBB CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 409164552 KDIKTJFLLYQEDN-QPJBPQEWSA-N 573.627 4.674 5 40 KJBB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409270323 PGXGLQVWSGZHPB-HSUOJCLFSA-N 604.729 4.732 5 40 KJBB CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409342530 GTFAMDDHQZYQDY-UHFFFAOYSA-N 543.820 4.827 5 40 KJBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)ccc12 2091818 LBSZMSXOVWRAKD-XMMPIXPASA-N 509.580 4.562 5 40 KJBB biogenic C[C@H](OC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccc(Br)cc1 103138233 UNGMUSBUNRXFOI-AWEZNQCLSA-N 534.340 4.553 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl 103628901 ZNDMLSVYEGJBKD-KRUMMXJUSA-N 549.971 4.634 5 40 KJBB CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 103864310 QTGHNWGLAXPJFM-UHFFFAOYSA-N 562.000 4.576 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223809720 XQMOAIPRZISSFY-JIPXPUAJSA-N 675.602 4.687 5 40 KJBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224192898 MCOJJTUXNILOFD-VWLOTQADSA-N 540.016 4.802 5 40 KJBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224374028 HVZVNCATDRYHBC-NDEPHWFRSA-N 596.681 4.795 5 40 KJBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260996876 QYWLTAQQUWUVGE-RTWAWAEBSA-N 587.098 4.776 5 40 KJBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408565397 KGXPSFGKSPJRAS-UYDITSSVSA-N 552.425 4.949 5 40 KJBB COc1ccccc1NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408750767 RLHAOSZZNZBVOW-UHFFFAOYSA-N 520.548 4.745 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl 408827764 MEOPVQPJRNFQPH-BIWBSIMWSA-N 620.083 4.948 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409155958 JLIDLQYGVQRDQG-KSEXSDGBSA-N 597.005 4.949 5 40 KJBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 409273936 AJTCLTUQJBXZJD-HYARGMPZSA-N 506.540 4.518 5 40 KJBB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2CC(C)C)c1 3266635 ZGYODEDQGUSZBO-UHFFFAOYSA-N 503.650 4.832 5 40 KJBB O=C(CCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 4157235 LYIGLZZCTGTXNF-UHFFFAOYSA-N 520.108 4.621 5 40 KJBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)Nc4cccc(C(C)=O)c4)cc3c3ccnc2c31 8792157 YPGXXQIIPDWIJJ-UHFFFAOYSA-N 521.529 4.829 5 40 KJBB biogenic CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OCC)c4)[C@H]3C2=O)c1 101538829 HOOJZYRVUJCISB-OYRHQHFDSA-N 598.406 4.911 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224343035 KVUTUMZIMJTISD-MHZLTWQESA-N 615.152 4.877 5 40 KJBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408924175 CZVRQPJEYVOLHY-UHFFFAOYSA-N 661.114 4.900 5 40 KJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)cc2)cc1C 408927156 SVLLZULKJKZNLI-UHFFFAOYSA-N 594.671 4.846 5 40 KJBB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409016122 CIXRMPABGOCPSQ-WSDLNYQXSA-N 595.406 4.785 5 40 KJBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 409032054 IPFDYBRMBCNZKQ-YMSBRDKKSA-N 549.992 4.620 5 40 KJBB CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 409190073 VRXISJNPKPTYCQ-NVNXTCNLSA-N 524.121 4.780 5 40 KJBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)o2)cc1[N+](=O)[O-] 409271412 COVSUZRPWVYSKL-YDZHTSKRSA-N 503.536 4.784 5 40 KJBB CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cc(Br)ccc1O 409411775 LECUDIJICFGVIJ-UHFFFAOYSA-N 512.773 4.726 5 40 KJBB Cc1ccccc1NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)Nc3ccccc3C)cc1[N+](=O)[O-])C2=O 6088951 CODORGQZHHIEFR-UHFFFAOYSA-N 608.610 4.933 5 40 KJBB O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 103163151 NFGMXNWXOWBAAO-WAOWUJCRSA-N 509.824 4.612 5 40 KJBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223751461 VFKZAHMJLAFECY-MGBGTMOVSA-N 674.776 4.892 5 40 KJBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225387979 NZQMRWHWSJAUEO-MUUNZHRXSA-N 615.152 4.879 5 40 KJBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc4ccccc4c(Br)c3OC)CC2)c([N+](=O)[O-])c1 408571432 AZNBUMDFUCHPLK-UHFFFAOYSA-N 601.479 4.533 5 40 KJBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1O 408841822 HUNDNWNLSGZTEL-ITIZVALFSA-N 590.455 4.704 5 40 KJBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1OCC 408934805 DALVHAXZEZSMHC-MGQZUQOPSA-N 771.586 4.916 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032842 DPEFUBHOTIUWLJ-UNRSNATKSA-N 726.558 4.680 5 40 KJBB O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccccc1 409253375 UEDUQXHUCYIZDX-FYJGNVAPSA-N 555.328 4.871 5 40 KJBB COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409270604 HPRXRYBXCPLCRP-ZMOGYAJESA-N 590.570 4.925 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409379645 YXQPUNWBHYWYOZ-BKUYFWCQSA-N 590.452 4.994 5 40 KJBB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 14275251 PODUDTYLEABFBJ-UHFFFAOYSA-N 503.172 4.564 5 40 KJBB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1OC 70708126 NISBEOMXVKXPGR-QGZVFWFLSA-N 567.598 4.710 5 40 KJBB biogenic COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br 102761235 PQOCXMGKHRLBJX-BHIFYINESA-N 542.317 4.556 5 40 KJBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 105310969 NOICXYIAUVDVRS-UHFFFAOYSA-N 547.593 4.689 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 111470519 KMEVQQUVWCQOGY-RWTNITNYSA-N 612.433 4.868 5 40 KJBB C[C@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 150462341 KWHTUVYSXCPPLI-ZDUSSCGKSA-N 650.009 4.655 5 40 KJBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223139851 KQHWOIYBMXMUHE-HKBQPEDESA-N 614.724 4.875 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223625510 XRVMVUJXZIRPBV-JIPXPUAJSA-N 631.151 4.578 5 40 KJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224508935 HMZKTEGPAIVMIJ-HSZRJFAPSA-N 585.510 4.534 5 40 KJBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 103017440 XQZIVIPIIGBLEG-UHFFFAOYSA-N 543.623 4.539 5 40 KJBB O=C1[C@@H]2N=NN(CC(=O)N3N=C4/C(=C/c5ccccc5)CCC[C@@H]4[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 105262691 FIZYTWPEXXGMMQ-MQEKOPAGSA-N 589.612 4.711 5 40 KJBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225310374 DUZDPYMNLRRUAR-MHZLTWQESA-N 533.625 4.847 5 40 KJBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408652494 OUMXTRVPTTUHCG-LQBPYSJUSA-N 601.999 4.739 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733245 GYXZNFXMSJKVMA-RWTNITNYSA-N 549.992 4.620 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409101018 OLCWCYRSODPINZ-NULZLWRNSA-N 616.696 4.597 5 40 KJBB 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5 40 KJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1cc(Br)ccc1OCc1cccc(F)c1 408573983 UINICLPYYJGHDO-VIQOPKQKSA-N 526.362 4.735 5 40 KJBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408683170 KRCJNYFARDNWRJ-AGTZKDDFSA-N 602.559 4.635 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408976070 PCHDTKMQMAMKCU-BIWBSIMWSA-N 573.627 4.674 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(F)cc1 409089388 NLBQFBPSVMGUCF-MGXIGDRJSA-N 639.690 4.924 5 40 KJBB CC1(C)C[C@]2(C[C@@H](c3ccccc3)Oc3cc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])ccc32)NC(=S)N1 3668412 HFLKURUFCFVKQL-NVQXNPDNSA-N 539.635 4.728 5 40 KJBB COc1ccccc1N1CCN(c2cc(N3CCN(C(=O)c4cccc(Br)c4)CC3)ccc2[N+](=O)[O-])CC1 100140461 YTXUHAYDPIUDDB-UHFFFAOYSA-N 580.483 4.655 5 40 KJBB CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)co2)s1 101036460 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5 40 KJBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1N1CCN(Cc2ccccc2)CC1 100301989 YGSBKPQITQKLMT-UHFFFAOYSA-N 590.533 4.735 5 40 KJBB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1c([N+](=O)[O-])ccc(C)c1C 105305483 UEPLGEYLFKWWEB-UHFFFAOYSA-N 517.199 4.872 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 150368581 ULDZYSGIYXBFAU-GXIJPSQLSA-N 654.495 4.746 5 40 KJBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408566450 OELINZZKOBISFK-RBYFDUNASA-N 519.985 4.982 5 40 KJBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408663178 YGDIPEINFSDCHU-JWQCQUIFSA-N 634.439 4.992 5 40 KJBB COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n21 409098963 RPRRHGRZKSDLCV-FVTDTAELSA-N 668.153 4.712 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409099343 QJCQRYDGQQBTED-RNDVCUHJSA-N 565.398 4.933 5 40 KJBB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC 12532722 KGOLMBPUVNDUFK-SQEWALACSA-N 521.551 4.608 5 40 KJBB O=C(c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCc3cccc([N+](=O)[O-])c3)nc2c1)N1CCCC1 33077863 UHBHTMJJRKEADH-UHFFFAOYSA-N 504.543 4.961 5 40 KJBB CCOC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)sc(C)c1C 100766483 ULOLGBZDOHNAAX-FKBYEOEOSA-N 521.551 4.501 5 40 KJBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)NCCc1ccc(F)cc1 103091125 FXUISPNAHJYTBK-UHFFFAOYSA-N 526.373 4.595 5 40 KJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)o1 409015587 ROTLIPDMAILXOQ-JLPGSUDCSA-N 532.578 4.548 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409035431 SRQXUXKMWPTGGT-PMYQURGISA-N 731.780 4.635 5 40 KJBB Cn1c(O)c(C(c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S 409066801 OAWYCYVZQNDUNW-UHFFFAOYSA-N 696.989 4.714 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 409102532 YLYLAIPBITTWAN-MFISQUFLSA-N 665.709 4.514 5 40 KJBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C 409125799 KMIQJXPGNJEIDR-NRFANRHFSA-N 596.651 4.613 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409272168 MBNKOPVGRPWZLK-MXAYSNPKSA-N 590.614 4.913 5 40 KJBB COc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)c(OC)c1 907446 MOXLJEUUQYKQRA-UHFFFAOYSA-N 505.556 4.899 5 40 KJBB COc1c(C)cc(Br)cc1C(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 112243377 OMWYZCWPTGNQEH-UHFFFAOYSA-N 561.380 4.530 5 40 KJBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(F)cc1 138557378 OFUCFBJGQUIIDK-AGTZKDDFSA-N 575.552 4.866 5 40 KJBB O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408544301 FUVAPWDCJGMTKG-UHFFFAOYSA-N 519.164 4.886 5 40 KJBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)c(Br)cc1OC 408570921 MJGVRJGLXCPSKI-IBGZPJMESA-N 511.373 4.995 5 40 KJBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408684802 OBUSFMCSLWQQEH-UDPYREPESA-N 587.588 4.736 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733626 MZCFNHUUNDRXKJ-DKOMQPSQSA-N 567.982 4.759 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408825286 RWGYCKYGVREKQK-HDFSHUSISA-N 629.691 4.693 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccccc1OCC 409154805 ONHJUEGNYRZULI-QTTRZTASSA-N 573.627 4.674 5 40 KJBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 103535528 CYZDQXZHZIFUOJ-KIHHCIJBSA-N 548.477 4.642 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 107438541 QIZQUUUEZMJPLC-ZDGAQAAHSA-N 580.018 4.629 5 40 KJBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224433022 KVDULQYRDZIFQY-QFIPXVFZSA-N 615.536 4.542 5 40 KJBB COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225031557 FCHSFQRQBJHYMN-RUZDIDTESA-N 584.467 4.909 5 40 KJBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225714113 IJITYIIGGKHCDD-NRFANRHFSA-N 631.549 4.742 5 40 KJBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 408563820 AYYWOOUFYQWLDT-GJECAEJISA-N 556.388 4.698 5 40 KJBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408566075 MTGIBFHAPQTTMW-DNKZPPIMSA-N 552.425 4.867 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OCC)cc1 408835079 VZXXKTWTWJFCRV-UQDCTOEPSA-N 630.635 4.806 5 40 KJBB Cc1cc(I)cc(C)c1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409134424 SMTHSIAUOOZCMB-HXUWFJFHSA-N 622.489 4.803 5 40 KJBB O=C(Nc1ncc(-c2cccc([N+](=O)[O-])c2)s1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409176366 LQHBBMTXGBGSID-UHFFFAOYSA-N 510.509 4.712 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)N1CCc2ccccc2C1 409275828 XGWUJPBPZOZAQE-ZMOGYAJESA-N 560.544 4.917 5 40 KJBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)c(C)c1 409373374 IGMMKYFKFWLOFZ-MFOYZWKCSA-N 504.362 4.958 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)C2=O)o1 409400320 OITJBEAOCYEIGB-LSCVHKIXSA-N 576.345 4.962 5 40 KJBB O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccc(Cl)c([N+](=O)[O-])c1 100311443 SUQVUDVWGOINSD-UHFFFAOYSA-N 509.563 4.606 5 40 KJBB O=C(COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 409000312 VHFUUVRLOUIRMT-MHZLTWQESA-N 567.554 4.789 5 40 KJBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409108825 WKUSIZVKGIXOFX-GJFKPFFXSA-N 619.750 4.758 5 40 KJBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)o2)c([N+](=O)[O-])c1 409207217 TZAXZWJJSSYHOO-WSDLNYQXSA-N 521.507 4.609 5 40 KJBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)n1Cc1ccc2c(c1)OCO2 12546702 MZGOHQODHNTKAA-UHFFFAOYSA-N 519.554 4.820 5 40 KJBB CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 19856145 SONCYYYELHCWNB-UHFFFAOYSA-N 503.964 4.789 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)COc1ccc2ccccc2c1 103629389 SIKNQEZFRVOVOW-LLZINOMRSA-N 558.594 4.534 5 40 KJBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105315986 PWRALZIMUDTOSC-UHFFFAOYSA-N 572.691 4.674 5 40 KJBB CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1 197321188 RXCZHIAEYVZXEX-QPJBPQEWSA-N 509.587 4.626 5 40 KJBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223304868 ICUHKLIARXCWMV-LVXARBLLSA-N 519.598 4.537 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225307607 VQYCGAHNUWWWQQ-LSDHHAIUSA-N 512.390 4.621 5 40 KJBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)CC2)c([N+](=O)[O-])c1 408574535 RTCMLSAJZUWIMH-UHFFFAOYSA-N 527.533 4.507 5 40 KJBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408649324 XSYOWGZLZCGABM-CLJLJLNGSA-N 584.541 4.877 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408768430 IZAKRWYMQKCZJD-ALUWMOPFSA-N 708.543 4.705 5 40 KJBB O=C(c1ccccc1I)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 100257237 BADRJYZAPVETAE-UHFFFAOYSA-N 542.377 4.774 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223460473 OGBJXNCTHMNTSZ-PWUYWRBVSA-N 594.734 4.532 5 40 KJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 223946536 RATNCWFJXKYEKN-KAYWLYCHSA-N 526.622 4.794 5 40 KJBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223997447 SPQBEBPWACYDRD-MUUNZHRXSA-N 596.706 4.522 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224477932 HDUQBFCIJUKATP-MHZLTWQESA-N 659.603 4.987 5 40 KJBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224646537 PAOHWIZSUMQTHB-GDLZYMKVSA-N 624.760 4.995 5 40 KJBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225597058 ZBHBTIDUGNKACK-DEOSSOPVSA-N 512.031 4.868 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225652439 ZJUUDFVONKFAQK-SKCUWOTOSA-N 628.723 4.968 5 40 KJBB Cc1c(Cc2ccccc2)c(=O)oc2c3c(cc(OCC(=O)N4C[C@@H]5C[C@H](C4)c4ccc([N+](=O)[O-])c(=O)n4C5)c12)OC(C)(C)CC3 524730120 WMJURSPHDBFJCP-XZOQPEGZSA-N 625.678 4.890 5 40 KJBB biogenic CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 103017414 KVMHBVROWDIKHU-UHFFFAOYSA-N 531.612 4.783 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 111461069 FBCKKFGCZRDDEN-PRLWALMFSA-N 603.653 4.682 5 40 KJBB O=C(O[C@@H]1CO[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 195763151 PZNPNYHLTXJURV-UJCZQSIQSA-N 746.550 4.509 5 40 KJBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 408567860 SBWSUDNPXIOKFN-USCUKXROSA-N 517.557 4.858 5 40 KJBB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 408645802 IJTDGCFDVSEJRJ-IBGZPJMESA-N 504.495 4.565 5 40 KJBB CC[C@H](OC(=O)c1cc(Cl)c(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1OC)C(=O)c1ccccc1 409174284 QSUKYSBWOZZYQE-FQEVSTJZSA-N 522.897 4.876 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCCO2 409200924 UCWWETKZZJHAMM-FOKLQQMPSA-N 578.515 4.742 5 40 KJBB COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 3006577 RBRQCNMUIBFPMD-HSZRJFAPSA-N 540.956 4.871 5 40 KJBB O=C(NC1CCCCC1)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(I)ccc12 6151002 DBAPLOPVPXSSEM-UHFFFAOYSA-N 537.361 4.544 5 40 KJBB CCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)cc1OCC 9062388 YHQIWYDOUJFYOK-UHFFFAOYSA-N 517.498 4.947 5 40 KJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 12311403 DQWCERYICQHGCU-UHFFFAOYSA-N 509.500 4.590 5 40 KJBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408568894 VDVUIPSWAWJKML-IUVRIDBFSA-N 507.974 4.886 5 40 KJBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OC)c(OC)c2)cc1 408569856 JZAJVKRUEQCBQA-IBGZPJMESA-N 523.409 4.864 5 40 KJBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)c1 408662538 FFHMKWBQJWPQNA-UHFFFAOYSA-N 521.526 4.995 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408823972 HDGDMIPLAMLUGT-HRIDGTDGSA-N 599.665 4.603 5 40 KJBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 408869365 CJGQNPVIVSOZMW-APSNUPSMSA-N 515.853 4.951 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 100305172 QZGJMUPFTAQOAF-UAMLYEQYSA-N 608.676 4.718 5 40 KJBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222628235 DRYPFWQDOHUMPC-MHZLTWQESA-N 614.696 4.578 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225380421 JTIQOFJJIHVBDD-LJAQVGFWSA-N 640.734 4.598 5 40 KJBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225421840 FBSCCDWWVPIEDE-MUUNZHRXSA-N 615.152 4.879 5 40 KJBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NS(C)(=O)=O 225437662 ZIWBJHWJGHCDFZ-RPBOFIJWSA-N 565.633 4.807 5 40 KJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261037113 YDBDDPPZUHFDOZ-DFHRPNOPSA-N 596.706 4.521 5 40 KJBB COc1cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408541754 HMMACJFSFSSXNI-ONUIUJJFSA-N 570.602 4.901 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1cccc(OC)c1 409095514 BJMOIHJWZDCIDW-AYMIJMNYSA-N 681.752 4.808 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409155062 LJDBGFSSCUZMGA-CFRMEGHHSA-N 597.627 4.663 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409157242 VARSMTGSMSLKRT-UCQKPKSFSA-N 597.627 4.663 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409179923 PXPYRWOJICAEPG-ITIZVALFSA-N 609.016 4.837 5 40 KJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13757508 KARGIIANLDRNMK-XPWALMASSA-N 500.898 4.848 5 40 KJBB CCCCn1/c(=N\C(=O)c2ccc(Cl)cc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103182788 ROVAVHHUSYTYLL-IADYIPOJSA-N 513.381 4.674 5 40 KJBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(-c2cccc(Cl)c2)o1 107861223 UMPBCZARLQLKIH-UHFFFAOYSA-N 505.383 4.999 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccccc1 214645948 USMBHGNFCHWCME-CIAFOILYSA-N 520.479 4.970 5 40 KJBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223139802 KQHWOIYBMXMUHE-WJOKGBTCSA-N 614.724 4.875 5 40 KJBB CCn1c(S/C(=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408635118 YYJPJFBQRAHSHE-IDUWFGFVSA-N 551.375 4.576 5 40 KJBB CCOC(=O)c1c(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2CC)sc(C(C)=O)c1C 409130687 UDIWNDDKGQXPMZ-OAQYLSRUSA-N 616.722 4.813 5 40 KJBB O=C(CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 409337435 UBHHOIWBANLFGC-GJZGRUSLSA-N 514.560 4.754 5 40 KJBB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)cc1[N+](=O)[O-] 4121928 IZTRKIRSCOMWFN-UHFFFAOYSA-N 500.964 4.533 5 40 KJBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)cc1[N+](=O)[O-] 14279397 NKOPPOVNWVCCSD-UHFFFAOYSA-N 508.962 4.862 5 40 KJBB CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 101173430 JKALMILGQCTTEK-GSDHBNRESA-N 517.538 4.833 5 40 KJBB O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 109942804 HBBROEHYRKFSOG-UHFFFAOYSA-N 515.334 4.829 5 40 KJBB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223934714 IHBHIPJLCYHMDU-INIZCTEOSA-N 508.438 4.534 5 40 KJBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408566265 NKSPKXBOOFLQSD-FBQMUFCQSA-N 552.425 4.949 5 40 KJBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408643376 PHIQXDZGAWLQMF-ZDUSSCGKSA-N 512.305 4.826 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408829442 MUIVUXRPDHRRSB-YNMQQHPQSA-N 599.665 4.603 5 40 KJBB Cc1c(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(=O)n(-c2ccccc2)n1C 408991538 YGRNZLARWIDJMH-UHFFFAOYSA-N 600.638 4.534 5 40 KJBB Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)C3=O)cc1[N+](=O)[O-] 409179175 KORLMIIDYQRMEY-UHFFFAOYSA-N 665.567 5.000 5 40 KJBB O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)N1CC=C(c2c[nH]c3ccccc23)CC1 1547208827 FVXYKCXTFWPEAO-KWQZPRCJSA-N 561.642 4.718 5 40 KJBB biogenic O=C1S/C(=C\c2cc(Br)c(I)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 1106758 IFQXHEYSLSSGTC-SDQBBNPISA-N 535.113 4.791 5 40 KJBB COc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1-c1ccc(CO)o1 20153287 NPPJIAHGSWHKHR-UHFFFAOYSA-N 524.599 4.719 5 40 KJBB COc1cc2nc(SCC(=O)Nc3ccccc3C)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 101307977 QOJKWTPIUFBVLG-UHFFFAOYSA-N 530.566 4.909 5 40 KJBB COc1ccc(N(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc3ccccc3c2)cc1 102973624 QDLGRHFOMRXNIH-UHFFFAOYSA-N 532.983 4.994 5 40 KJBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 103017450 BRFHTHDBRDUQKW-UHFFFAOYSA-N 538.003 4.656 5 40 KJBB O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112231318 UKIOPDQXWXLTQU-UHFFFAOYSA-N 535.607 4.541 5 40 KJBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NS(C)(=O)=O 225443338 VOBKWSGTIHIXQF-LOSJGSFVSA-N 565.633 4.807 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408757879 RIQRSUUOBQRDEU-JUTHHCEFSA-N 570.410 4.883 5 40 KJBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1[N+](=O)[O-] 409046956 LQVBVPYEJPYXSW-SHRQFBHGSA-N 506.514 4.944 5 40 KJBB O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)N1CC=C(c2c[nH]c3ccccc23)CC1 604404615 FVXYKCXTFWPEAO-OHQPNVSCSA-N 561.642 4.718 5 40 KJBB biogenic O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 101161848 KGBLZUFTTAWBDC-PFBJBMPXSA-N 535.512 4.865 5 40 KJBB O=C(NC(=S)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105311101 YMRWGPSGFFVEJR-UHFFFAOYSA-N 553.984 4.725 5 40 KJBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cc(I)ccc1Cl 105311182 CKYHBIDGCUQTQT-UHFFFAOYSA-N 540.564 4.742 5 40 KJBB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 106172253 GQSPFIXVWZQIPH-UHFFFAOYSA-N 537.347 4.766 5 40 KJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260940654 ISNDDUFPOGXZCJ-VGSWGCGISA-N 587.526 4.698 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408571627 PIAAXLYWXNAIIT-LCILEWSWSA-N 511.937 4.635 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408996486 PNUOHSWKAWQAMV-DLJDGCESSA-N 597.649 4.696 5 40 KJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 409114312 GSXGEQXCJSMZMI-UHFFFAOYSA-N 523.489 4.765 5 40 KJBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409198693 CZLGZQNTGASHCR-FYJGNVAPSA-N 500.529 4.562 5 40 KJBB O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc(OCc2ccccc2)cc1 8832721 HWLQIAIGVFTQBN-UHFFFAOYSA-N 511.003 4.664 5 40 KJBB CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)c1 101672911 AUDIYBOVBGUIKF-FIXSFTCYSA-N 584.379 4.521 5 40 KJBB O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306568 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676.081 4.876 5 40 KJBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc4c(c3)C(=O)N(c3cccc([N+](=O)[O-])c3)C4=O)cc2)cc1 409184392 WRRCPPWQRPYRPZ-UHFFFAOYSA-N 564.506 4.963 5 40 KJBB Cc1cccc2c1C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3cccc(C)c3C1=O)C2=O 65731113 HMXRJKOINNJHNS-UHFFFAOYSA-N 576.782 4.689 5 40 KJBB in-vitro O=[N+]([O-])c1ccc(N[C@@H]([C@H](Nc2ccc([N+](=O)[O-])cc2)n2nnc3ccccc32)n2nnc3ccccc32)cc1 104811652 JLJYDMIBWAPUTR-CLJLJLNGSA-N 536.512 4.914 5 40 KJBB O=C(c1cc(I)ccc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 112231661 QGZPISYVUVBYFR-UHFFFAOYSA-N 539.679 4.834 5 40 KJBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225155603 MOCRWNHBIBGHAG-JOCHJYFZSA-N 596.681 4.795 5 40 KJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1 408566211 FBYHAAWBEZSRGR-RHLLLVCUSA-N 526.362 4.735 5 40 KJBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]12 408640044 ADQFZUJSUNLASD-AVDBILAHSA-N 601.999 4.905 5 40 KJBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408684797 OBUSFMCSLWQQEH-BYVQZYKMSA-N 587.588 4.736 5 40 KJBB O=C(COC(=O)CCCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 408685151 QFCMYRDBLGARNL-AGTZKDDFSA-N 567.598 4.529 5 40 KJBB O=C(c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCc3ccc([N+](=O)[O-])cc3)nc2c1)N1CCCC1 33077869 PVEUZMWIULLBCL-UHFFFAOYSA-N 504.543 4.961 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)NCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 150496420 CYYJYCLGIUITAW-UHFFFAOYSA-N 853.716 4.767 5 40 KJBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 223934218 RAWIZKQZKHESDI-HNNXBMFYSA-N 524.401 4.765 5 40 KJBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c2=O)=N1 409031426 APKHIAZFUKQMEG-BIWBSIMWSA-N 681.508 4.890 5 40 KJBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 409170697 WSVVMDFYHJCEHD-WSDLNYQXSA-N 550.505 4.979 5 40 KJBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 409180755 ZUQINCHMARNWDK-HAHDFKILSA-N 597.627 4.609 5 40 KJBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1ccccc1F 409336892 QWSZHMPYWVQYGR-UHFFFAOYSA-N 508.512 4.875 5 40 KJBB COc1ccc(CCNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1OC 8792326 WWVBACBAKVMJTL-SFHVURJKSA-N 521.573 4.735 5 40 KJBB biogenic Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@H]5CCCN(S(=O)(=O)c6ccccc6)C5)nc34)c12 13644050 VVFWILWMFPFCEG-AWEZNQCLSA-N 514.583 4.702 5 40 KJBB NC(=O)c1c(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)sc2c1CCN(Cc1ccccc1)C2 23153837 ZQSRRLMZQZAKSG-UHFFFAOYSA-N 509.587 4.917 5 40 KJBB Cc1ccc(S(=O)(=O)c2ncn(Cc3ccc([N+](=O)[O-])cc3)c2NCc2ccc([N+](=O)[O-])cc2)cc1 57291964 NXOQKCIVHOCNIX-UHFFFAOYSA-N 507.528 4.501 5 40 KJBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105317742 CYTQHQHIIRFFBX-UHFFFAOYSA-N 578.720 4.736 5 40 KJBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224571886 PEPOFVPKKHIIQI-LJAQVGFWSA-N 624.760 4.995 5 40 KJBB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224955631 HBQUAFORPDZDIC-LJAQVGFWSA-N 624.760 4.729 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409177438 ARHVHYJAYQGBDF-UHFFFAOYSA-N 525.917 4.677 5 40 KJBB Cn1c2ccccc2c(=O)c2cc(NC(=O)/C=C\C(=O)Nc3ccc4c(c3)c(=O)c3ccccc3n4C)ccc21 5615572 VTLNGJBQBICLHU-NXVVXOECSA-N 528.568 4.830 5 40 KJBB COc1ccc2c(=O)c3c(=O)n(CCc4ccc(OC)c(OC)c4)c(-c4ccc(F)cc4)nc3oc2c1 8836295 IRWUVVSFATUQPB-UHFFFAOYSA-N 502.498 4.578 5 40 KJBB Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 261022663 VPNBLVPMVNTEBX-SSEXGKCCSA-N 606.745 4.677 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408939858 INNVQTKZSHCRGQ-IZBTWGKQSA-N 600.436 4.892 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408975941 NVMLITDHYVKTJX-FUFNRSNVSA-N 630.635 4.806 5 40 KJBB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409132210 ZPYGRWSHSLBBEY-JOCHJYFZSA-N 510.620 4.681 5 40 KJBB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 409152064 IVNINUYKJWTZPU-GOSISDBHSA-N 523.402 4.878 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409198488 BDRLYHZDVDRMED-WSDLNYQXSA-N 514.556 4.808 5 40 KJBB CCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1OCC 9062370 YBEZSGUYYXARQO-UHFFFAOYSA-N 517.498 4.947 5 40 KJBB CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 17838018 JKALMILGQCTTEK-ZNZIZOMTSA-N 517.538 4.833 5 40 KJBB Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 102886769 DVCZDRCEAYRFBE-PKTNWEFCSA-N 585.594 4.722 5 40 KJBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225623528 YZRRNOBQXSKJOU-LJAQVGFWSA-N 621.115 4.830 5 40 KJBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408564725 FHGDRBVJPFVJJH-ZNCVFPSASA-N 511.937 4.589 5 40 KJBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408676214 ALWDQHUIFLWDQY-RAWLKHAVSA-N 602.559 4.635 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733388 HYHPIVYYFWGJSP-VVNKCDPRSA-N 580.018 4.629 5 40 KJBB O=C(CSc1nnc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1)Nc1nccs1 100816928 OTGOIXPHLWQATA-UHFFFAOYSA-N 561.026 4.770 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222812944 ONOBPFDDIKEYEI-MHZLTWQESA-N 675.602 4.544 5 40 KJBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C 225277945 PKEQWTDUBPTYGD-SXOMAYOGSA-N 542.621 4.851 5 40 KJBB CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2F)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565942 MFUVZMLSLUTHOI-FMNCTDSISA-N 526.362 4.689 5 40 KJBB O=C(NN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1cccc([N+](=O)[O-])c1 408676174 AIOJAEATRDHIHH-UHFFFAOYSA-N 626.837 4.586 5 40 KJBB CCOc1ccccc1CCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408715098 ZALNDOBTGMCRPK-UHFFFAOYSA-N 576.071 4.908 5 40 KJBB O=c1n(Cc2ccc(Cl)cc2)c2cc(N3CCOCC3)c([N+](=O)[O-])cc2n1Cc1ccc(Cl)cc1 8443018 QPTMHROPVXESPD-UHFFFAOYSA-N 513.381 4.951 5 40 KJBB O=[N+]([O-])c1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(Cc3ccccc3)CC2)cc1 22852314 YNGMVELRQFTZOA-JOCHJYFZSA-N 516.583 4.572 5 40 KJBB CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 102895630 ZVDLMIMHKPDZTD-SGNDLWITSA-N 568.380 4.816 5 40 KJBB O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H](c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)c2sc(=O)[nH]c2S[C@H]31 150412774 GHZYGODOLPWVJC-LBVFEXRLSA-N 642.111 4.525 5 40 KJBB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223953490 JBPQRBIVFMQIMX-MUUNZHRXSA-N 596.706 4.522 5 40 KJBB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224873489 UDRQNSJZGFGVQF-FQEVSTJZSA-N 526.417 4.869 5 40 KJBB COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]32)cc1 408730339 FTLJTVDKWRXJOU-BECWTDFISA-N 524.529 4.742 5 40 KJBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])cc1 408731641 OHXDVXZRKNLEAE-HDFSHUSISA-N 599.665 4.793 5 40 KJBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(I)c(O)c([N+](=O)[O-])c3)c2=O)=N1 409041301 URTNOSGWMSKBIR-JGZDWKDESA-N 728.359 4.568 5 40 KJBB CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409139799 OSVFFZGHMUXVQL-QHCPKHFHSA-N 568.656 4.629 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409181594 DJRUAOBXFLSKBY-UHFFFAOYSA-N 538.409 4.730 5 40 KJBB O=C(CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1F 409214936 VICICISGTUKQIG-CIAFOILYSA-N 569.343 4.607 5 40 KJBB O=C(CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 409337432 UBHHOIWBANLFGC-GASCZTMLSA-N 514.560 4.754 5 40 KJBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ncccc2o1 14275272 SWHNSXVNRBSMGS-UHFFFAOYSA-N 502.556 4.833 5 40 KJBB COc1ccc(NC(=S)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1 20153121 VQWYAJJEPPJTTI-UHFFFAOYSA-N 524.599 4.719 5 40 KJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 26907029 ODMPTMZAVMUCBV-CJRSTVEYSA-N 520.973 4.530 5 40 KJBB 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Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409179864 OQRFVMKCAZAYRN-UHFFFAOYSA-N 559.552 4.995 5 40 KJBB Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 100301756 FXSZSWXMBARRIY-UHFFFAOYSA-N 519.495 4.937 5 40 KJBB COc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 102887151 COHIBGBERYDFRK-FCEKVYKBSA-N 565.538 4.874 5 40 KJBB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225056962 ZEKFXIYXUXYJPD-QFIPXVFZSA-N 631.151 4.747 5 40 KJBB CN1C[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565570 LLDGAOLQDGHWOE-HFRGRHLUSA-N 526.362 4.689 5 40 KJBB CN1C[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565572 LLDGAOLQDGHWOE-RZPHLTDDSA-N 526.362 4.689 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730609 RXIGYWPHKYJAAU-MFUBYVTQSA-N 594.443 4.729 5 40 KJBB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409022441 NZJGUSQYTJQBEA-SSDVNMTOSA-N 595.406 4.785 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O 409382976 SJTCPXNJOZTYTJ-SFTDATJTSA-N 561.330 4.684 5 40 KJBB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 20153281 FRBYQDJPBWCEQI-UHFFFAOYSA-N 524.599 4.719 5 40 KJBB CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2cccc(Br)c2)N[C@H](c2cccc(Br)c2)[C@@H]1[N+](=O)[O-] 33932206 SYQOCZQEGKASDM-TVFCKZIOSA-N 513.186 4.914 5 40 KJBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc([N+](=O)[O-])cc1 100310096 CMGUBVDKFLHNIE-UHFFFAOYSA-N 513.329 4.998 5 40 KJBB COC(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)Nc3ccc(OC)c(Br)c3)ccc2Cl)cc([N+](=O)[O-])c1 102994271 BKZQGATXKRSLLL-UHFFFAOYSA-N 598.815 4.859 5 40 KJBB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223683133 DELKHEMPUCXNOD-HHHXNRCGSA-N 580.707 4.555 5 40 KJBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223815941 XIUXVFKKXOAUJZ-NRFANRHFSA-N 599.109 4.920 5 40 KJBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(F)cc1 408681167 HHEUIBXFKVIAJO-AGTZKDDFSA-N 575.552 4.866 5 40 KJBB O=C(c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCN(c2ccc(Cl)cc2)CC1 12957924 CLAXZSBFVKMVGP-UHFFFAOYSA-N 534.421 4.838 5 40 KJBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c2=O)=N1 163458310 AUACMVZFWJFEFG-IGSWSUAKSA-N 661.518 4.920 5 40 KJBB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223248213 QOTWLNSNOLNZIX-XMMPIXPASA-N 593.489 4.650 5 40 KJBB Cc1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3Cl)S(C)(=O)=O)cc2)c(C)c1 224938413 NSDRUEXVVXOPHM-UHFFFAOYSA-N 532.018 4.640 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408754377 TXAOSGBHNYKPHT-RISWYLRJSA-N 576.030 4.549 5 40 KJBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(S(=O)(=O)c5cccc([N+](=O)[O-])c5)c5ccccc45)c(=O)n32)c1 408782104 VRYNPNDRNBMQMU-VSQRRKBNSA-N 705.774 4.982 5 40 KJBB CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409349342 PZDPSBDEEFJYJF-IBGZPJMESA-N 537.429 4.888 5 40 KJBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2Cl)cccc1[N+](=O)[O-] 409385821 JNLAJZBRJLKIJQ-MRXNPFEDSA-N 503.964 4.614 5 40 KJBB O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@H]1[C@@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 3128260 KTEVEEQPUAOFNK-VXKWHMMOSA-N 519.501 4.913 5 40 KJBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 17988860 WFVIEGWPYBXRJF-PNTFMKQHSA-N 512.518 4.708 5 40 KJBB COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1cc2ccccc2o1 22840707 SXIWJPUKDXZBGG-UHFFFAOYSA-N 516.510 4.691 5 40 KJBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 105303692 GAAYTQKKPOHUHQ-UHFFFAOYSA-N 590.489 4.835 5 40 KJBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225729225 KVDOYLOVEPCJFG-NDEPHWFRSA-N 610.733 4.748 5 40 KJBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408651680 NUNHKVLDTSCCDP-YXVKNGOVSA-N 644.434 4.624 5 40 KJBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)c2)c1 408686808 TULVIQRETNXVBA-BYVQZYKMSA-N 603.587 4.796 5 40 KJBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1O 408847394 VLELRMUKAPKFGO-JAYSWQADSA-N 651.482 4.936 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409097310 LYMPTEXPBOLCOW-ZKZBLMLZSA-N 651.539 4.642 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409104903 KXFMQSUQUONKKC-MDBUFAAASA-N 612.398 4.775 5 40 KJBB O=C(NC1CCCCC1)c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(Cc2ccco2)c2nc3ccccc3nc12 1873727 HWMXBAYAJRQXPU-UHFFFAOYSA-N 574.619 4.997 5 40 KJBB Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4cc([N+](=O)[O-])cc5cc([N+](=O)[O-])cc(c45)C3=O)cc2)cc1 3044947 UEPFYKIJSSMNLF-UHFFFAOYSA-N 532.490 4.566 5 40 KJBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)cc2)c1 59884653 PKVNARKKXMCERR-UHFFFAOYSA-N 594.671 4.846 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 100174498 KONFUVZTEFYUDC-MGSPXPDISA-N 549.992 4.620 5 40 KJBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223181034 VHLNBZWMUXFENO-SANMLTNESA-N 505.640 4.913 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223212919 PERZVHIAIGFPSN-NHCUHLMSSA-N 631.549 4.885 5 40 KJBB Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 224858320 XSGATFJTEDKVFU-PMERELPUSA-N 606.745 4.677 5 40 KJBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225290878 UULJYGWPHRFYPF-QHCPKHFHSA-N 629.563 4.933 5 40 KJBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409097743 JGJIOQHIBIMIDX-NTWBUQQASA-N 606.689 4.723 5 40 KJBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cccc3ccccc23)n[nH]1 409155165 PZSVZXMVKSKFGM-QFIPXVFZSA-N 504.572 4.724 5 40 KJBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409220654 CUSZQEUVMIJHRI-OEAKJJBVSA-N 626.407 4.872 5 40 KJBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCN3CCOCC3)c2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 15946945 NLKILLAZINGLRW-QGZVFWFLSA-N 514.648 4.720 5 40 KJBB CCCCCn1/c(=N\C(=O)c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101117792 NFOYAROCKFWVSK-KRUMMXJUSA-N 506.990 4.719 5 40 KJBB O=[N+]([O-])c1ccc(N[C@H]([C@H](Nc2ccc([N+](=O)[O-])cc2)n2nnc3ccccc32)n2nnc3ccccc32)cc1 104811649 JLJYDMIBWAPUTR-WMPKNSHKSA-N 536.512 4.914 5 40 KJBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC1CCCC1 223764172 NCWKAJPNSJYROJ-QHCPKHFHSA-N 578.691 4.575 5 40 KJBB C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224983596 LEWCDBNTBLTGNO-DEOSSOPVSA-N 592.718 4.699 5 40 KJBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(=O)c2ccccc2)cc1 409180715 ZEECNGJOGCUJAB-UHFFFAOYSA-N 545.525 4.687 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 8400592 CENUCGFKBWICRQ-MTJSOVHGSA-N 520.523 4.774 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccc(Cl)cc1 100820909 UPTLREFLUAMIDJ-KRUMMXJUSA-N 504.974 4.726 5 40 KJBB CS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 260927588 ANVBAGUAMGEMKZ-MUUNZHRXSA-N 657.587 4.822 5 40 KJBB O=c1/c(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 2156710 LTUQFINOHWIOIX-WYLTYJJASA-N 543.988 4.609 5 40 KJBB O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O)NCc1ccccc1 2967121 HIKHFHQOCWJAQE-HSZRJFAPSA-N 513.579 4.583 5 40 KJBB O=C(O[C@H]1CO[C@@H](n2c(=O)oc3cc([N+](=O)[O-])c([N+](=O)[O-])cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150369787 KWAGFBZEGTZKIC-AMSOURPBSA-N 669.555 4.617 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260730568 JVTDNRHNABAMSU-HXUWFJFHSA-N 635.114 4.842 5 40 KJBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 261086677 SEWBYLSBXFXPMS-IDISGSTGSA-N 631.151 4.578 5 40 KJBB C[C@H](NC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 409115271 LJKFDVIOJTXYJH-NRFANRHFSA-N 558.616 4.920 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409206820 LRVSESVTALQLSD-QPNANDPSSA-N 514.556 4.951 5 40 KJBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409268805 ASUUWSMWSNSGCU-ZVHZXABRSA-N 549.561 4.866 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 14135615 QJORSMRECKTXOE-UHFFFAOYSA-N 510.410 4.628 5 40 KJBB O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)nc(S)n1c3ccccc3nc21 20618203 JMCNPBXWYLKBRW-UHFFFAOYSA-N 517.058 4.530 5 40 KJBB COc1ccc(CCNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1 70707968 VQMCNPONNUEYLZ-SFHVURJKSA-N 551.599 4.744 5 40 KJBB biogenic O=c1/c(=C/c2cccc(I)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 197696092 KNSXABSVHRDINB-PNZYDNNZSA-N 591.430 4.832 5 40 KJBB COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224935813 ZNBSBIPVXIWRQR-QHCPKHFHSA-N 608.717 4.665 5 40 KJBB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)cc2)cc1[N+](=O)[O-] 408671137 JWLSDHWFVNNPNU-UHFFFAOYSA-N 529.288 4.751 5 40 KJBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409101816 WRFMHWRPJRMAST-CSJROMOCSA-N 624.679 4.862 5 40 KJBB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409134893 QAMWNMUIEFYDNA-NRFANRHFSA-N 547.037 4.726 5 40 KJBB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 409252177 CHNNPVKNQRIOLF-UHFFFAOYSA-N 534.388 4.508 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223474073 UCQJKMWPQLCHDU-AJTFRIOCSA-N 533.625 4.845 5 40 KJBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NS(C)(=O)=O 225462508 HHLNZBOSTGOKSP-LOSJGSFVSA-N 548.650 4.638 5 40 KJBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(O[C@H](C)CC)c([N+](=O)[O-])c3)c2=O)=N1 409030917 FRHLYYUVPFMXDP-GGSDACBOSA-N 600.491 4.646 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC 409101989 ZNUKHVUQGFWTKZ-QPJBPQEWSA-N 607.088 4.934 5 40 KJBB O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 59331497 PXJAVPLTNNCHDP-UHFFFAOYSA-N 519.608 4.835 5 40 KJBB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCCc1ccc(F)cc1 103053706 DDXSYUFRDDWMDG-UHFFFAOYSA-N 570.824 4.704 5 40 KJBB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2)c1 104146655 CQERFIQRIXGVNM-ONNFQVAWSA-N 550.999 4.880 5 40 KJBB O=[N+]([O-])c1ccc(/C=c2\sc3scc(-c4ccc([N+](=O)[O-])cc4)[n+]3\c2=C/c2ccc([N+](=O)[O-])cc2)cc1 104301298 RHDGHPYQYKZPBW-YXDRJAMLSA-N 531.551 4.598 5 40 KJBB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1 111467271 MHKVQENVCDQOMK-ASZNLBCTSA-N 603.653 4.764 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225532776 OCLRGAJOXSTYRK-NEKDWFFYSA-N 580.707 4.821 5 40 KJBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 225534803 GSEVKZLISPWDRS-CLJLJLNGSA-N 512.595 4.782 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 261045014 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547.593 4.634 5 40 KJBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105318035 XLVUVLGYPYJEOG-UHFFFAOYSA-N 597.097 4.921 5 40 KJBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 139021861 RVQVMJDJIOHHDQ-OMWUSAIZSA-N 518.353 4.563 5 40 KJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 223946643 RATNCWFJXKYEKN-RRPNLBNLSA-N 526.622 4.794 5 40 KJBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224089628 UNGDPJXSACXNIX-INIZCTEOSA-N 522.465 4.923 5 40 KJBB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408643029 OLHWTSXBFXXJMN-CYBMUJFWSA-N 542.331 4.835 5 40 KJBB COc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 408643484 BGAIMADRMZPMCJ-UHFFFAOYSA-N 507.499 4.605 5 40 KJBB O=C(COC(=O)CCCCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 408685157 QFCMYRDBLGARNL-RAWLKHAVSA-N 567.598 4.529 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408993622 DTNLXISRPMJIQI-GBIJUZDQSA-N 583.666 4.976 5 40 KJBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409094258 CXFGJOIAAOUGQR-RJFKIUDMSA-N 642.744 4.799 5 40 KJBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 409167180 HQMHPUAKRQVQPO-CIAFOILYSA-N 509.496 4.547 5 40 KJBB COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409273653 KNVNULGTPJNHCN-QFEZKATASA-N 577.571 4.549 5 40 KJBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccc3c(c2)OCO3)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 73352567 AQIIQIGWKQCXPC-UHFFFAOYSA-N 557.519 4.744 5 40 KJBB O=C(COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 102909055 LHLXUKQGUJLGTE-UHFFFAOYSA-N 527.313 4.881 5 40 KJBB C[C@@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 150462344 KWHTUVYSXCPPLI-CYBMUJFWSA-N 650.009 4.655 5 40 KJBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225224104 MGXPTTRLPALLOB-IZZNHLLZSA-N 528.594 4.543 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408565988 MOBDVFATHKNIKN-DWSPACKXSA-N 538.398 4.605 5 40 KJBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1 408601523 AHASTPAXKNQLHC-UHFFFAOYSA-N 501.564 4.696 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 409102207 DDEGHNAXTXZGTD-FTFCHFIQSA-N 681.752 4.808 5 40 KJBB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409203368 WSYKDZASZNFUQY-UFFVCSGVSA-N 599.369 4.615 5 40 KJBB CCOc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 19856259 KNIJVHYKVNNJFM-UHFFFAOYSA-N 515.613 4.858 5 40 KJBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 102629021 PKDWEHSDCZHEGU-UHFFFAOYSA-N 523.479 4.796 5 40 KJBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224129105 LUYYMGGKLXTMQH-FQEVSTJZSA-N 631.549 4.885 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408565711 LTQLVGAVEMXJIP-ANVUSGOZSA-N 538.398 4.605 5 40 KJBB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)c4)cc3)C(=O)[C@@H]2C1 408676510 DEINLFSAJBGFNJ-IZZNHLLZSA-N 567.554 4.733 5 40 KJBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409116307 MELFCZQFIMFZTR-RTOMEVGKSA-N 638.127 4.704 5 40 KJBB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2-c2ccccc2C)cc1 14944658 GJRGTNFUJYGBRK-UHFFFAOYSA-N 505.556 4.899 5 40 KJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 26852238 BMLVRFOSRIQLGW-CJRSTVEYSA-N 520.973 4.530 5 40 KJBB C[C@@H](OC(=O)CCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccc(Cl)cc1 97948396 FQCDJNNLOQAXBD-QGZVFWFLSA-N 566.950 4.821 5 40 KJBB COc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1OCc1c(C)noc1C 103057190 MQIRLNYFZFDYKF-UHFFFAOYSA-N 523.420 4.602 5 40 KJBB O=C(NC(=S)Nc1ccc(I)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306088 RGOIMIRVCPGSJW-UHFFFAOYSA-N 544.802 4.970 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409002970 XQJNCZYMYAZHGJ-KOBOZNMDSA-N 613.692 4.984 5 40 KJBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 409075734 ZWTYAWKLWOVXJV-UCQKPKSFSA-N 537.981 4.975 5 40 KJBB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409143209 VZNNLDFMIXMWNT-CRCYZHLCSA-N 631.736 4.662 5 40 KJBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 409170955 YJHIZUPHELGHLX-HMAPJEAMSA-N 550.549 4.864 5 40 KJBB 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550.398 4.823 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(F)cc1 409089392 NLBQFBPSVMGUCF-RFZPLYKNSA-N 639.690 4.924 5 40 KJBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)o2)cc1[N+](=O)[O-] 409165174 UHHRJDFPRORNAC-UFFVCSGVSA-N 507.480 4.567 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409204733 JTFPVVOPISVQOK-JVWAILMASA-N 604.641 4.694 5 40 KJBB O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NC1CCCCC1 2967647 WNAYFEXREJJMDU-QFIPXVFZSA-N 505.600 4.716 5 40 KJBB CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)[C@H]1C 9111438 MANCQGYKGYXUAI-GOSISDBHSA-N 500.580 4.717 5 40 KJBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2[N+](=O)[O-])C1 12581635 MRACQMBDAWMKOY-CYBMUJFWSA-N 510.425 4.554 5 40 KJBB CCc1c(-c2ccc(OC)c(OC)c2)nn(Cn2nc([N+](=O)[O-])cc2C)c1-c1ccc(OC)c(OC)c1 22831549 ADNBIMMRKMLIKL-UHFFFAOYSA-N 507.547 4.733 5 40 KJBB CC1=C(C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 22832951 IAAPLGCZBFFNSW-HHHXNRCGSA-N 508.582 4.578 5 40 KJBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 97971155 PCRUALRKAKCTFH-UHFFFAOYSA-N 535.909 4.869 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(Br)cc1 102921360 ARNNYJKCMJNLDT-BGABXYSRSA-N 549.425 4.835 5 40 KJBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NS(C)(=O)=O 225443452 ACARZRYPWIWVFT-DQEYMECFSA-N 565.633 4.807 5 40 KJBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)O)n[nH]1 408631466 JHOWVMKRMGSSGL-RZNTYIFUSA-N 527.740 4.728 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409337484 UIRLTQHNPWFMGX-QQMBNGEASA-N 659.717 4.701 5 40 KJBB COc1ccc(CCn2c(SCc3ccc([N+](=O)[O-])cc3)nc3ccc(N4CCOCC4)cc3c2=O)cc1OC 2976369 BEBASLLZMJYTIQ-UHFFFAOYSA-N 562.648 4.694 5 40 KJBB 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O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2OCCOCCOc2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 96022804 BVJPYNRQXXCWAP-UHFFFAOYSA-N 658.667 4.579 5 40 KJBB O=c1/c(=C\c2cc(Br)cc([N+](=O)[O-])c2O)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 100958397 ZWQWCKCGMJWWIY-SEXPAEGTSA-N 605.426 4.603 5 40 KJBB CC1=C(C(=O)OCc2ccccc2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)NC(=S)N1 102620067 MYOUMRIFNIOFQY-SANMLTNESA-N 525.590 4.984 5 40 KJBB CCOC(=O)c1ccc(NC(=O)C2=C(Nc3ccc(F)cc3)S[C@H](C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2=N)cc1 102930819 TWDXHOMYVULLGN-DEOSSOPVSA-N 593.593 4.955 5 40 KJBB O=[N+]([O-])c1ccc(N[C@H]([C@@H](Nc2ccc([N+](=O)[O-])cc2)n2nnc3ccccc32)n2nnc3ccccc32)cc1 104811645 JLJYDMIBWAPUTR-UIOOFZCWSA-N 536.512 4.914 5 40 KJBB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223663775 PKLIAVMPWBRKSE-MUUNZHRXSA-N 580.707 4.822 5 40 KJBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224824773 CKNASVZMOXBVHT-JOCHJYFZSA-N 596.681 4.795 5 40 KJBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260864265 ABGBPEQHWUAQTA-SFTDATJTSA-N 587.098 4.776 5 40 KJBB O=C(Oc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408657564 IKLGKLMZBIACCG-KGJGFBSDSA-N 599.599 4.950 5 40 KJBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OC 408770683 AJMJQACFVFUQTO-LXYLXTGBSA-N 560.031 4.898 5 40 KJBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])cc(Br)c4O)c(=O)n32)cc1 408847062 MEKVDOYYKMKOAL-CBYYHRJHSA-N 635.496 4.649 5 40 KJBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224371435 UIUAVXUMFGHAJT-AREMUKBSSA-N 601.125 4.569 5 40 KJBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccccc1 408611596 UFVOCZNHHQMQKV-UHFFFAOYSA-N 533.322 4.838 5 40 KJBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408641033 JFOOYOFDGGTDAJ-UHFFFAOYSA-N 584.368 4.900 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409159579 RDPWVGZQTWACKL-MXAYSNPKSA-N 590.614 4.913 5 40 KJBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Cl 409270129 FXOFHVXWDJRBHO-LPYMAVHISA-N 568.995 4.950 5 40 KJBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409345535 JETCUULWJJEPRG-YVMONPNESA-N 533.291 4.615 5 40 KJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C(=O)OCC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 100032761 MBHCDQTYPFQILF-UHFFFAOYSA-N 542.298 4.866 5 40 KJBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 100398233 WFVIEGWPYBXRJF-UKDVSSAZSA-N 512.518 4.708 5 40 KJBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 102739122 XDJVBOVYZPVUFC-DNVJHFABSA-N 544.347 4.970 5 40 KJBB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br 102758671 KTGJPNGCODAZTE-DNVJHFABSA-N 538.354 4.725 5 40 KJBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 247342537 STKWEIMRVZYYKS-QPXUXIHVSA-N 548.477 4.642 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260771661 WWFNXNQDDCKHLY-JOCHJYFZSA-N 631.151 4.745 5 40 KJBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408570092 YULBYGWGLJFEKZ-BQVXCWBNSA-N 511.937 4.589 5 40 KJBB COc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 408644550 GTOXTUMXCMWAQA-UHFFFAOYSA-N 521.526 4.995 5 40 KJBB Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408653387 IXIPRHRHGBNEKE-OJKWPBSESA-N 550.398 4.825 5 40 KJBB CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n21 409011219 FISSVASVASXLJA-NNAGEYCMSA-N 647.706 4.699 5 40 KJBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409206140 HSTZVSHKAVNZFI-FOKLQQMPSA-N 608.541 4.750 5 40 KJBB COc1cc(I)c(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC 8397324 AVOPNVWMFWOGMR-MHZLTWQESA-N 618.424 4.951 5 40 KJBB COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 12659818 YPVVQZQMLRIUMV-UHFFFAOYSA-N 515.935 4.753 5 40 KJBB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)cc2)c1 59886800 IYVBXZHYDKHDHN-UHFFFAOYSA-N 580.644 4.538 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 105496819 SGUOHXYYESTJDW-ZSJKCPIUSA-N 610.044 4.637 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 150389675 ZZLZFUITDHMATO-HJUDQDPUSA-N 654.495 4.746 5 40 KJBB COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224252679 VJRWRTXVHFFFKE-AREMUKBSSA-N 533.625 4.845 5 40 KJBB CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC 408575046 VRVGVUARUOBASY-SFHVURJKSA-N 511.373 4.995 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 409170565 VMQWMCVNOMPGRG-CRCYZHLCSA-N 573.627 4.592 5 40 KJBB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2094439 KZJDIHYBFQCOAJ-CRICUBBOSA-N 509.580 4.562 5 40 KJBB biogenic C[C@@H](Nc1nc(Nc2ccccc2F)nc(Nc2ccccc2F)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 9933757 VIGRRCQSMMAOEO-CQSZACIVSA-N 506.473 4.984 5 40 KJBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)c(O)c([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1OC 101408937 CGXVQWCUHYQCER-LNXFQTKESA-N 620.481 4.712 5 40 KJBB CCc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OC)c4)[C@H]3C2=O)cc1 105990178 KMSZUBVANVMKLU-AOHZBQACSA-N 568.380 4.685 5 40 KJBB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223347939 KRBROMVRWBPAKG-VWLOTQADSA-N 637.542 4.967 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 408928017 ULHMDFMUTHPKGQ-CBYYHRJHSA-N 580.018 4.629 5 40 KJBB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 408949897 SOQBQPUEOAFILI-SZYVSPPHSA-N 650.109 4.956 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409175030 YFQKHRJPMUETNX-UHFFFAOYSA-N 510.012 4.600 5 40 KJBB O=c1/c(=C/c2ccc(O)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 1866544 SXUREMOKUCYGDJ-PLQXQRLBSA-N 560.429 4.695 5 40 KJBB CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OCC 8384033 LVBANILGSRENFJ-YBFXNURJSA-N 565.398 4.934 5 40 KJBB COc1cc2sc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2cc1Cl 8835421 STNZYABKRGQVNC-UHFFFAOYSA-N 506.009 4.984 5 40 KJBB O=C(COC(=O)c1cc(Br)c(Br)s1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 101574433 XPHLQHOEMMVZFC-UHFFFAOYSA-N 532.088 4.996 5 40 KJBB O=C(NC(=S)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307930 IMDKYWIAXDGDCO-UHFFFAOYSA-N 521.990 4.709 5 40 KJBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106739444 CRGPPXWKYNQOIW-NDENLUEZSA-N 508.468 4.935 5 40 KJBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 197829281 SFNAVPGAXSODDX-UHFFFAOYSA-N 628.660 4.686 5 40 KJBB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223066244 BOBGVPHSHYYXSL-DEOSSOPVSA-N 610.733 4.749 5 40 KJBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 224942522 TZKGDCMAEGDCAH-MHZLTWQESA-N 503.574 4.975 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260877646 BMZSOOJPVDGVOX-SSEXGKCCSA-N 624.735 4.897 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408550072 DFSBHBYSKWKPSD-SRZZPIQSSA-N 576.425 4.604 5 40 KJBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 408647763 VNAHAYSXIYLXKH-XVGQJIODSA-N 518.353 4.563 5 40 KJBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)c2)c1 408686809 TULVIQRETNXVBA-NPYONTDKSA-N 603.587 4.796 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409040093 XQLCJPDBXDXWFE-BQCQJZCVSA-N 766.623 4.999 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1ccccc1 409095447 HXKTUYNIRINRPG-LRNOEHBCSA-N 651.726 4.799 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC 409105172 JNNXHXHCPJKUGU-XQNWCSQWSA-N 586.670 4.589 5 40 KJBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)ccc1Cl 409164189 DTLNXICRTLAOMN-KSEXSDGBSA-N 646.055 4.786 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409172423 HSPMNZSAYVYGPC-MXAYSNPKSA-N 611.654 4.971 5 40 KJBB COc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1OC 70708121 NISBEOMXVKXPGR-KRWDZBQOSA-N 567.598 4.710 5 40 KJBB biogenic O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 100055323 QDAFNJNDOJDSRY-UHFFFAOYSA-N 522.430 4.634 5 40 KJBB O=c1/c(=C\c2ccc(Br)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 101858483 UWGCZQPQQIXJHY-CEMPLAKHSA-N 534.391 4.582 5 40 KJBB CCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)cc1 103122648 APSRNAYXLDSNQB-GCFVYEKYSA-N 565.582 4.824 5 40 KJBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 197827333 BOGPZDFPVRXGNS-UHFFFAOYSA-N 654.723 4.864 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 214675252 HHSXPLVXBJPMKZ-YDZHTSKRSA-N 519.535 4.857 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccccc1OC 409096520 FUSARQNSDPRMGT-XQNWCSQWSA-N 586.670 4.589 5 40 KJBB Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 260816513 UZULPHQLFDNNQF-XMMPIXPASA-N 592.718 4.965 5 40 KJBB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)c4)cc3)C(=O)[C@H]2C1 408676508 DEINLFSAJBGFNJ-FTJBHMTQSA-N 567.554 4.733 5 40 KJBB O=C(COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc2c(c1)OCO2 2637215 RVAPXDKDHHSZNZ-UHFFFAOYSA-N 534.468 4.967 5 40 KJBB O=c1c2cc(N3CCOCC3)ccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1 2976321 UVIIQNOIYVOTTP-UHFFFAOYSA-N 502.596 4.676 5 40 KJBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105313777 AAGGPMKXGSAPCR-UHFFFAOYSA-N 559.652 4.724 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccccc1OC 208361141 LNBFDWHLOJDGQM-ZDGAQAAHSA-N 624.469 4.738 5 40 KJBB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223303485 NOWBTOIDXZTEKW-VWLOTQADSA-N 637.542 4.967 5 40 KJBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223815953 XIUXVFKKXOAUJZ-OAQYLSRUSA-N 599.109 4.920 5 40 KJBB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223941083 OHVZGLNVXRWNPO-LJQANCHMSA-N 637.542 4.967 5 40 KJBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)cc1Br 248245944 MAIXRGDQKGBNEC-WUEDSLEZSA-N 574.387 4.639 5 40 KJBB COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1 408730344 FTLJTVDKWRXJOU-OAHAWELDSA-N 524.529 4.742 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408754665 WYQROXLJTPIJNA-LMSRTUJASA-N 576.030 4.549 5 40 KJBB C[C@@H](NC(=O)c1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 409118146 ZAHXIMNWRUWPAO-OAQYLSRUSA-N 558.616 4.920 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409147299 YESKPFOUVGYDCF-ITIZVALFSA-N 609.016 4.837 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409178077 JFAVXBNQHUXSFV-YXDQGSNCSA-N 653.467 4.946 5 40 KJBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409276011 NWDPTXRIOVUSMS-WSDLNYQXSA-N 550.505 4.979 5 40 KJBB O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Br 409350543 YISCAOMBLOXDGZ-NVNXTCNLSA-N 541.177 4.795 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 24576457 QSWZYGSTECLGOU-QGZVFWFLSA-N 517.991 4.638 5 40 KJBB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)N1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 104159156 ATQZRAYNXAFWMA-UHFFFAOYSA-N 588.705 4.506 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 105498308 DCBAVHVFGQWBEO-BIWBSIMWSA-N 590.057 4.939 5 40 KJBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223278310 VSZKJUSJJWAWDB-HHHXNRCGSA-N 580.707 4.821 5 40 KJBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408567852 SAUXRQGPVBJTDO-MGCIBGGXSA-N 552.425 4.995 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409182449 KYUBITUXKZCTON-UQDCTOEPSA-N 569.639 4.594 5 40 KJBB O=[N+]([O-])c1cccc(COc2c(Br)cc(C(=S)N3CCOCC3)cc2Br)c1 409368406 UIRCHSGKYLFONT-UHFFFAOYSA-N 516.211 4.707 5 40 KJBB Nc1c(Sc2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C(=O)c1ccc(Br)cc1 3174223 DWYFGJLVJUWFPD-UHFFFAOYSA-N 511.357 4.732 5 40 KJBB O=C(COc1ccc(Cl)cc1Cl)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10039712 QKNQWLOXOUJCKF-DEOSSOPVSA-N 517.321 4.564 5 40 KJBB 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CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1I 408917310 QVGBOAYWCSSXHR-RQZCQDPDSA-N 694.241 4.982 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409041010 YTVDZMDIHUXFFA-MIUGUJGPSA-N 633.679 4.771 5 40 KJBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)c([N+](=O)[O-])c1 409204423 HBWFQVAKFCDDGU-LFVJCYFKSA-N 532.578 4.548 5 40 KJBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc2c(C)cc3cc(OC)ccc3n12 12470093 AAGMCUGPAHXQER-UHFFFAOYSA-N 511.560 4.636 5 40 KJBB CCOCCOc1nc(-c2cccc(OC)c2)n(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 37384798 GYNRSCKFLOJAJE-UHFFFAOYSA-N 503.515 4.519 5 40 KJBB C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 101774516 CQWQBWXIJSDHTQ-ZDUSSCGKSA-N 527.883 4.690 5 40 KJBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105317309 IBBMUYBNEJHSLB-UHFFFAOYSA-N 593.109 4.938 5 40 KJBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1NS(C)(=O)=O 225440656 JRHSOHSALJILSJ-CLJLJLNGSA-N 595.659 4.816 5 40 KJBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1NS(C)(=O)=O 225495424 SKVMWOWLXJRQRX-DQEYMECFSA-N 565.633 4.807 5 40 KJBB Cc1ccc(COc2ccc([C@@H]3[C@H](C)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2Br)cc1 408568163 SFLDKDVREPUART-KOYHWAKJSA-N 522.399 4.905 5 40 KJBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl 408607725 UODHUHPJXHZTTH-UXBLZVDNSA-N 613.414 4.965 5 40 KJBB O=C(O)/C(=C/c1cc(I)c(O)c([N+](=O)[O-])c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408635195 XXVBNVARALTUDI-QPEQYQDCSA-N 544.714 4.561 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733638 NIYYGFODLDGYKE-PLQXQRLBSA-N 564.019 4.928 5 40 KJBB O=[N+]([O-])c1c(O)nc(/C=C\c2cc(I)cc(I)c2OCc2ccccc2)nc1O 409331763 OYANSSPMEATSCN-SREVYHEPSA-N 617.137 4.755 5 40 KJBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cc([N+](=O)[O-])cs4)cs3)cc2)C1 17244711 VGPUTVLAKBRFKN-OKILXGFUSA-N 506.631 4.699 5 40 KJBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)Nc4ccc(NC(C)=O)cc4)cc3c3ccnc2c31 70708047 XNUPDBTXULRSTE-MRXNPFEDSA-N 550.571 4.974 5 40 KJBB biogenic CCCCCCn1nc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc2c1=O 102833464 WYTWOOQSHJDMPH-UHFFFAOYSA-N 531.535 4.866 5 40 KJBB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 102986451 RJIHIOWPGJZBPL-QHCPKHFHSA-N 549.436 4.588 5 40 KJBB O=c1/c(=C/c2ccc(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 104656362 CYNBCPZSHQMMPY-CBYYHRJHSA-N 560.429 4.695 5 40 KJBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105317803 MNMADEGINRDSQD-UHFFFAOYSA-N 545.577 4.537 5 40 KJBB COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] 224898350 QODSQMZLDWTUMV-RUZDIDTESA-N 540.016 4.800 5 40 KJBB Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 260927696 AQDCUVFKLGADGP-SSEXGKCCSA-N 606.745 4.677 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408784841 UFODPTOLLARDES-IYVASWNSSA-N 634.598 4.555 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409142558 DNOBTOFSBQGRSW-PIXWUVMMSA-N 614.636 4.502 5 40 KJBB COc1ccc2c(c1OC)c(=O)n1c3cc(OCC(=O)N(C)C[C@@H]4CCCN5CCCC[C@H]45)ccc3c3ccnc2c31 524732250 VPYZPUCQLQGXCR-NBGIEHNGSA-N 568.674 4.711 5 40 KJBB biogenic CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 3289527 OPIKWSWZCARNGZ-CQSZACIVSA-N 509.902 4.622 5 40 KJBB aggregator CCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2-c2cccc([N+](=O)[O-])c2)c2ccccc21 100146653 LENBBDQGVWTTMS-RGEXLXHISA-N 564.339 4.806 5 40 KJBB O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 102755386 NHTXPMUVVKFOGS-HZFUHODCSA-N 549.539 4.861 5 40 KJBB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1 111467274 MHKVQENVCDQOMK-YNMQQHPQSA-N 603.653 4.764 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OC 205659207 YOXHIFHHZHOAOJ-LICLKQGHSA-N 540.335 4.843 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222462742 NITXRPVGYIIZDB-MUAVYFROSA-N 640.759 4.838 5 40 KJBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408565322 JRMUFPCPRNAIHS-TVHSXNCYSA-N 509.562 4.949 5 40 KJBB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409134896 QAMWNMUIEFYDNA-OAQYLSRUSA-N 547.037 4.726 5 40 KJBB O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccccc1 409245133 NWUNETLNSKXEEM-FYJGNVAPSA-N 555.328 4.871 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409353208 ZCYYLPCETAZFHY-XQNWCSQWSA-N 569.639 4.594 5 40 KJBB COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC 101672790 TXOPZUAEOPGLDM-VBOOUTDYSA-N 555.543 4.825 5 40 KJBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 102893664 YKMBVPJNCUGXTC-VWPQPMDRSA-N 574.771 4.776 5 40 KJBB Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 260826084 YGGQAYIRDKLYQL-XMMPIXPASA-N 592.718 4.965 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409197117 WKDSFXRPPMWYRP-FSJBWODESA-N 537.525 4.997 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)C2=O)o1 409399956 MHKTWJNTMAAUKX-XKZIYDEJSA-N 527.489 4.800 5 40 KJBB COc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 3277182 BDRAZHNYQPWTNT-UHFFFAOYSA-N 562.453 4.863 5 40 KJBB Cc1oc2cc(OC(=O)CCNC(=O)OCc3ccccc3)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 8742638 HHDDGJYPMDWIKK-UHFFFAOYSA-N 502.479 4.899 5 40 KJBB CC(=O)Nc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12659831 OQTRAFMXKMIXHP-UHFFFAOYSA-N 512.935 4.694 5 40 KJBB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C 13961349 DIPALJRYZRIHTO-UHFFFAOYSA-N 515.933 4.659 5 40 KJBB COc1cc2nc(SCC(=O)N(C)C3CCCCC3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 101308002 NXCUJRKWRIKXPT-UHFFFAOYSA-N 536.614 4.753 5 40 KJBB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223683089 DELKHEMPUCXNOD-MHZLTWQESA-N 580.707 4.555 5 40 KJBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225154554 COKDAMKWGCXTHS-QFIPXVFZSA-N 518.010 4.892 5 40 KJBB CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 409165630 AKDSACJMSDSUMG-QPJBPQEWSA-N 573.627 4.674 5 40 KJBB COc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 409332227 CUXDAXLMUSWKNQ-HOTGVXAUSA-N 526.596 4.624 5 40 KJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1Cl 409347150 MKWPZMOHVXGMPH-GFCCVEGCSA-N 523.402 4.735 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3cccc4ccccc34)C2=O)o1 409398693 FXHDDPKDGACENB-UCQKPKSFSA-N 527.489 4.800 5 40 KJBB O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@@H](c4ccccc4)C[C@@H]32)C(=O)N1c1ccc(Cl)cc1 103029259 NLRCUMVFDSAJSZ-MVIMSGIFSA-N 530.968 4.826 5 40 KJBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3)cc2)cc1 112166338 PURRISGBWFSRFR-UHFFFAOYSA-N 564.506 4.963 5 40 KJBB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 408638572 SDKDXPLKFAEBFX-DEOSSOPVSA-N 602.596 4.940 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408934783 CYTQWRNUMQNOIG-VIYYDIFJSA-N 636.082 4.566 5 40 KJBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(OC)c4)c(=O)n32)cc1OCC 408937286 QGJOBDNPDVXUGU-MGQZUQOPSA-N 680.135 4.965 5 40 KJBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408955621 YPNMJCMORUSHLQ-OAJVPKOVSA-N 771.586 4.916 5 40 KJBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C 409130373 HGOCXZJSMBMHSF-JOCHJYFZSA-N 510.620 4.681 5 40 KJBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1Cl 409322552 LVFIBVSEYYWTIW-SREVYHEPSA-N 555.712 4.812 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(I)cc1 409339218 SWVHZJQEDXKMRI-UDWIEESQSA-N 588.383 4.724 5 40 KJBB COC(=O)c1c(C)oc2ccc(N(C(=O)/C=C/c3ccccc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 11852768 IPENGFCHVGKHJW-SDNWHVSQSA-N 520.519 4.871 5 40 KJBB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)sc(C)c1C 12490089 YQOAXJRXANQHKF-AWEZNQCLSA-N 503.606 4.848 5 40 KJBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)Nc1nnc(-c2ccccc2)o1 12682448 LENSOZYYVWOFQR-UHFFFAOYSA-N 507.890 4.706 5 40 KJBB COc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O 102760053 HXEWDDRSXPSICH-BHIFYINESA-N 514.321 4.961 5 40 KJBB Cc1c(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] 105316203 WZDDBKCHMUWEEC-UHFFFAOYSA-N 538.029 4.646 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 150497277 IAYDVLKKOVLXMQ-JAYSWQADSA-N 654.495 4.746 5 40 KJBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223934662 IHBHIPJLCYHMDU-MRXNPFEDSA-N 508.438 4.534 5 40 KJBB COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 224838781 GURVEKBFUYGJEY-MUUNZHRXSA-N 545.636 4.990 5 40 KJBB C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224916299 MGPZTHQBZRFZHD-QGZVFWFLSA-N 585.510 4.534 5 40 KJBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F 225618255 SWZXJBZKSFGRDQ-CLJLJLNGSA-N 530.585 4.921 5 40 KJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c1)[C@H]1CCCN12 408569338 VRHMBRWPVPKASW-YUHKXCSQSA-N 534.956 4.882 5 40 KJBB COc1ccc([N+](=O)[O-])c(NC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408662324 RHQBUKRZDNVFJW-OJKWPBSESA-N 566.397 4.525 5 40 KJBB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408817572 NOQXBLZWCMERCW-YVLHZVERSA-N 540.335 4.843 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408954524 XOXSSFWZKUQXHU-PLQXQRLBSA-N 580.018 4.547 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 409000827 NDVLAPZVFQOSGR-PLNPHXOGSA-N 697.747 4.620 5 40 KJBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NCc1ccco1 9721078 AUKQWWVDQIIVOZ-UHFFFAOYSA-N 511.387 4.618 5 40 KJBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 101076221 ZXJBMEMWLWKZSN-NEWJYFPISA-N 544.361 4.756 5 40 KJBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223714853 DKRFCMGGEQGCFV-AREMUKBSSA-N 621.543 4.752 5 40 KJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224249543 CWKPTFZESLCGMQ-GDLZYMKVSA-N 592.718 4.965 5 40 KJBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260874946 BJTYNOWKZJOPPI-ZEQRLZLVSA-N 610.733 4.748 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408575860 WYISAPSDZILCQM-MMOZRLFVSA-N 556.388 4.744 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408766089 OMLITLNYBQBDGV-VCLSCOGJSA-N 741.800 4.937 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(N2CCOCC2)cc1 409146424 STZBZVDFKGFLQH-MFKUBSTISA-N 605.585 4.807 5 40 KJBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 409179380 MOHRXYTVUAKQDZ-QFEZKATASA-N 611.654 4.917 5 40 KJBB O=C(Nc1ccc(Br)cc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8402098 ABTZHQYKRZUMPD-UHFFFAOYSA-N 576.228 4.553 5 40 KJBB CCOc1ccc(/C=C2\CN(S(=O)(=O)c3ccc(C)cc3)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c32)cc1OC 100157763 IKXIFHRFGBTKLG-WOJGMQOQSA-N 525.539 4.968 5 40 KJBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223146708 QZVOTNCYORHJDT-IRXDYDNUSA-N 522.465 4.923 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408831837 HLNFTLHVACCGBL-BIWBSIMWSA-N 573.627 4.754 5 40 KJBB CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409127459 HNMYWVCSTFWYEU-HXUWFJFHSA-N 608.462 4.669 5 40 KJBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 2093054 OXUCTGCTQCWWLJ-HHHXNRCGSA-N 543.597 4.758 5 40 KJBB biogenic CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1 97954183 JXJTWXJZSZYYJA-ZRBLBEILSA-N 522.355 4.971 5 40 KJBB COc1ccc(OC)c([C@H]2C3=C(N=c4s/c(=C/c5cc([N+](=O)[O-])cc(Br)c5O)c(=O)n42)c2ccccc2CC3)c1 100957010 ALBUVBCRFFUOLR-AURKMBPUSA-N 620.481 4.712 5 40 KJBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260844522 BWPDQICYEVJAEU-OAQYLSRUSA-N 661.575 4.812 5 40 KJBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408643030 OLHWTSXBFXXJMN-ZDUSSCGKSA-N 542.331 4.835 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729856 KBAJCWCMBBHALG-MFUBYVTQSA-N 594.443 4.729 5 40 KJBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409251030 ZOGXSCMWOSUHNW-YDZHTSKRSA-N 564.982 4.930 5 40 KJBB COc1ccc(OC)c(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1 409337769 VFRWKWHWNXZKJR-UHFFFAOYSA-N 550.574 4.753 5 40 KJBB CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OCC)c4)[C@H]3C2=O)cc1 1314780 GTUXVSNIMFGURM-OYRHQHFDSA-N 598.406 4.911 5 40 KJBB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 2095239 WWORIEMWFXTLBS-AREMUKBSSA-N 513.571 4.750 5 40 KJBB biogenic O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 101185333 RKQXMMYDYMWKCF-QODLHPCFSA-N 542.551 4.846 5 40 KJBB COc1ccc(N(CC(=O)NCCSCc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 106185602 LRCBQHKJPMAGIJ-UHFFFAOYSA-N 564.085 4.810 5 40 KJBB O=c1/c(=C\c2cc(Br)cc([N+](=O)[O-])c2O)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 197320651 NBFFNJDCWOPKEZ-JGZDWKDESA-N 566.458 4.757 5 40 KJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223593651 ISHOYCCGGHDZFL-MHZLTWQESA-N 596.706 4.521 5 40 KJBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408566840 PMCGKGDQPUKECL-AHNGBTAHSA-N 507.974 4.886 5 40 KJBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 408646121 TUAFBRKTOZYZAQ-BVGQSLNGSA-N 518.353 4.563 5 40 KJBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224473924 HCXKEKQQXCZIMZ-QFIPXVFZSA-N 615.536 4.542 5 40 KJBB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224537084 AOCSUBQVOFSWLZ-VWLOTQADSA-N 647.150 4.713 5 40 KJBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224742756 KJHIVTIRNBMJMN-HKBQPEDESA-N 614.724 4.955 5 40 KJBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1C 409140834 GCWBVZLHFSWCBQ-LJQANCHMSA-N 537.429 4.888 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409159670 WDSLSPCSVPBUHP-BHGWPJFGSA-N 563.544 4.586 5 40 KJBB COc1ccc(CCNCCCN2C(=O)c3c(cc(N)c4nc(-c5ccc(C)c([N+](=O)[O-])c5)[nH]c34)C(C)(C)C2=O)cc1OC 3940085 OPRZZDKUMMSNLY-UHFFFAOYSA-N 600.676 4.528 5 40 KJBB Cc1c(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 22233284 DYRPOSBETGVCKC-UHFFFAOYSA-N 503.964 4.540 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1cccs1 100087899 CUQCNZBVEFILEU-PZDOZLBDSA-N 600.472 4.791 5 40 KJBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccccc1[N+](=O)[O-] 101005095 ICNHDEHWKWOMJO-RMKNXTFCSA-N 530.234 4.570 5 40 KJBB Cc1c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cccc1-c1nn2c(C)nnc2s1 105308149 RWWKRSOFMMMOTO-UHFFFAOYSA-N 519.568 4.765 5 40 KJBB O=C(c1cc(I)ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 110125059 ASPSYRPTIYGJCL-UHFFFAOYSA-N 554.816 4.806 5 40 KJBB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223885762 XQMRPBQNVDQRCH-SFHVURJKSA-N 593.489 4.650 5 40 KJBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225623555 YQXAQIOQBJSPPA-GDLZYMKVSA-N 621.115 4.830 5 40 KJBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225623571 YQXAQIOQBJSPPA-LJAQVGFWSA-N 621.115 4.830 5 40 KJBB CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408564742 FPPWYFGYGYASFC-RZPHLTDDSA-N 508.372 4.550 5 40 KJBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccccc1 408650679 MQVUETUEVGKSDQ-RAWLKHAVSA-N 557.562 4.727 5 40 KJBB C[C@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3365221 HVICKUOKMUSCBH-INIZCTEOSA-N 541.545 4.601 5 40 KJBB O=C1[C@H]2N=NN(CC(=O)N3N=C4/C(=C/c5ccccc5)CCC[C@H]4[C@H]3c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 8454650 FIZYTWPEXXGMMQ-DWDZHFFCSA-N 589.612 4.711 5 40 KJBB O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 104656337 KEIXTCZTNJQREY-GJFKPFFXSA-N 544.430 4.989 5 40 KJBB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1 111467816 CHVHAEGSDFPMHY-YNMQQHPQSA-N 603.653 4.764 5 40 KJBB O=C(O)CCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)[C@H]31 150665945 GHZYGODOLPWVJC-MTGDUMNGSA-N 642.111 4.525 5 40 KJBB O=C(OC[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 263610190 VXHVNMJAGDGKPI-ZXYZSCNASA-N 760.577 4.899 5 40 KJBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408646287 IORFWSIJQRHKHF-DHIUTWEWSA-N 587.972 4.659 5 40 KJBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 408647761 VNAHAYSXIYLXKH-OMWUSAIZSA-N 518.353 4.563 5 40 KJBB COc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1[N+](=O)[O-] 408672265 NDEWDIFJWCJYSR-UHFFFAOYSA-N 529.288 4.751 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(F)cc1 408813588 OKEFUSAEKZPUKT-MFUBYVTQSA-N 567.982 4.759 5 40 KJBB O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 9391226 IWNXUMOGOGVITH-NRFANRHFSA-N 500.964 4.811 5 40 KJBB biogenic O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13757507 KARGIIANLDRNMK-DNVJHFABSA-N 500.898 4.848 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 102901313 LMPOLUMVNPXRKI-SANMLTNESA-N 540.594 4.959 5 40 KJBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c2=O)=N1 104677253 KSPIUDVZGWAYML-MFCBUNOESA-N 579.675 4.627 5 40 KJBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 105315384 DSQCUJUQCUPFMT-UHFFFAOYSA-N 544.589 4.640 5 40 KJBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2Cl)cccc1[N+](=O)[O-] 408562436 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COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409150873 FHFONSCXPFQVDC-NHDPSOOVSA-N 598.977 4.906 5 40 KJBB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409211010 LSDJICNREBZTNM-SRZZPIQSSA-N 554.918 4.506 5 40 KJBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1CCc1ccc(Cl)cc1 1875357 BWKYODHMXDNCEG-SQHAQQRYSA-N 514.969 4.657 5 40 KJBB biogenic CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 59331864 UWYWNHJTFVMRMZ-UHFFFAOYSA-N 529.601 4.572 5 40 KJBB CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2F)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565940 MFUVZMLSLUTHOI-DVKBMCPXSA-N 526.362 4.689 5 40 KJBB O=C(O)c1cc(Cc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])c(C(=O)O)c2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] 3665323 MEUQDIYTPKRQMW-UHFFFAOYSA-N 584.497 4.995 5 40 KJBB COc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)sc3c2)cc1[N+](=O)[O-] 105220551 OGPJZTZOAWBNON-UHFFFAOYSA-N 523.483 4.635 5 40 KJBB 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CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1 164177727 YNRRHESDFXLVTC-USDTVRPUSA-N 633.679 4.773 5 40 KJBB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223929249 XXUCDVITUVJZKB-QFIPXVFZSA-N 587.526 4.700 5 40 KJBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224742876 WEZBMGZGSGWBRR-HKBQPEDESA-N 614.724 4.955 5 40 KJBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225100161 JVKCDCQDNXXAEX-SANMLTNESA-N 621.543 4.832 5 40 KJBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260876920 BQHSXMPAUTYYOW-YADHBBJMSA-N 614.696 4.578 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260910277 XRDFCHMREQWRMG-AREMUKBSSA-N 651.569 4.841 5 40 KJBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 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CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C 409127369 QPRUAWYUPWYWFE-OAQYLSRUSA-N 551.654 4.705 5 40 KJBB C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 8974868 RUIHMIZKDMVIAA-CLOONOSVSA-N 510.550 4.942 5 40 KJBB COc1ccc(-c2nn3c(SCC(=O)Nc4ccccc4Cl)nc4ccccc4c3nc2=O)cc1 62587502 YAEYENOCJHEDPK-UHFFFAOYSA-N 503.971 4.698 5 40 KJBB Cc1c([N+](=O)[O-])cc(C(=O)Oc2c(Br)cc(C(=S)N3CCOCC3)cc2Br)cc1[N+](=O)[O-] 100543631 LYSXPDWVVDEDDU-UHFFFAOYSA-N 589.218 4.563 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 100841924 HAKRIPZRSKONAJ-OCEWKHMESA-N 557.628 4.874 5 40 KJBB O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)CCCCCCCCCCCCS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 100921931 JSKSWEXXYNWNCT-UHFFFAOYSA-N 602.688 4.999 5 40 KJBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 103586586 FPCWNSPIZDHIEW-VCHYOVAHSA-N 525.315 4.646 5 40 KJBB 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CCOc1ccc(CCNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC 103091170 MAVVQAZHDDHNHE-UHFFFAOYSA-N 592.070 4.608 5 40 KJBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(C)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408639901 GOWLUSFJMYUOSO-KAYWLYCHSA-N 581.581 4.704 5 40 KJBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409092866 ZZVROIZYSDOJSO-VXLYETTFSA-N 582.372 4.766 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br 409093998 CGSOHLVYGXSFCM-DJTCXORXSA-N 712.604 4.818 5 40 KJBB COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n21 409106096 LZVAUXQLAFKHED-VVNKCDPRSA-N 638.127 4.698 5 40 KJBB COc1cccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409205016 NDUHVHXIUIEDRF-DJKKODMXSA-N 531.499 4.539 5 40 KJBB COc1ccc(OC)c(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc([N+](=O)[O-])cc2)c1 2720976 QGESUHUGWFDNFE-UHFFFAOYSA-N 531.550 4.523 5 40 KJBB O=C(c1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 8816331 SAGBPDKZOIYWRK-UHFFFAOYSA-N 509.404 4.974 5 40 KJBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 14224993 MSUJCEKXKLRVEB-UHFFFAOYSA-N 502.357 4.503 5 40 KJBB CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)c1 101672917 AUDIYBOVBGUIKF-ZDXQCDESSA-N 584.379 4.521 5 40 KJBB CCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1 102466706 APSRNAYXLDSNQB-LAJGZZDBSA-N 565.582 4.824 5 40 KJBB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC 106728767 KECDYYWLDAGOAH-ZDLGFXPLSA-N 551.371 4.544 5 40 KJBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1 112237236 FTYXTQFCDAXOEJ-UHFFFAOYSA-N 564.042 4.608 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408852676 HPJDQJRUPPXXLA-BIWBSIMWSA-N 573.627 4.754 5 40 KJBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1OCC 408934802 DAGXSXYYRUHRSP-SDUOYYPQSA-N 638.702 4.727 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409030005 BLUIDSQACNFPAV-HOGDLBODSA-N 675.716 4.534 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409100905 VYBNWLZRVBEMLD-LCQSEVKBSA-N 637.114 4.942 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409198166 YVDUMOKCROEVLG-QLPFJNHISA-N 514.556 4.951 5 40 KJBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)o2)c([N+](=O)[O-])c1 409273263 JMMJQPZNCFIUGN-CIAFOILYSA-N 509.496 4.547 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C)cc4)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409346156 LESQFEADADQBEH-MIUGUJGPSA-N 583.666 4.902 5 40 KJBB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)c1nc2ccccc2[nH]1 1547212416 PJKASWCVBHJELB-VICXDBEYSA-N 566.662 4.701 5 40 KJBB biogenic COc1ccc(N(CC(=O)N(c2ccccc2)C(C)C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12566464 RQWPYCPLVQBEGL-UHFFFAOYSA-N 517.991 4.894 5 40 KJBB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br 101200146 PQOCXMGKHRLBJX-FSSWDIPSSA-N 542.317 4.556 5 40 KJBB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 105316510 UDRVIOMRRJZRJZ-UHFFFAOYSA-N 556.044 4.940 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223107964 QYDVAPQJFMUNQZ-FGZHOGPDSA-N 614.696 4.578 5 40 KJBB CC[C@H](C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260793260 HQZHOGRWXFVVDD-LEWJYISDSA-N 503.621 4.647 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408565991 MOBDVFATHKNIKN-JMTGYTTLSA-N 538.398 4.605 5 40 KJBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 408687943 VINIDXNNRHWXQT-UDPYREPESA-N 587.588 4.736 5 40 KJBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 409039490 WRHFELFHGDENKO-KMBIYUNPSA-N 543.601 4.583 5 40 KJBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)cc1 409097281 ICNYSEDNWVLJHB-LPYMAVHISA-N 523.523 4.937 5 40 KJBB O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 101161849 KGBLZUFTTAWBDC-PVHODMMVSA-N 535.512 4.865 5 40 KJBB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC 105990209 TXOPZUAEOPGLDM-CERRFVOPSA-N 555.543 4.825 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224374259 ZZSDBJFUSRSRBH-SANMLTNESA-N 631.151 4.578 5 40 KJBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732531 WKDJIBWDJQDLCY-SZYVSPPHSA-N 644.662 4.701 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OC 409104384 YQBOWHNXGUSEMS-NBQDTTAVSA-N 642.734 4.608 5 40 KJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 409112940 CTOXQEINXFOKEW-UHFFFAOYSA-N 503.964 4.708 5 40 KJBB CCOC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 3006370 CGKMKUGUWRRAHO-XMMPIXPASA-N 520.538 4.607 5 40 KJBB Cc1nn(-c2ccccc2)c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 100824128 IKWIZBLWFAIFIJ-UHFFFAOYSA-N 542.913 4.703 5 40 KJBB O=C(CN1CCN(C(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 103044622 NKENNQIAYGGKKR-UHFFFAOYSA-N 539.725 4.970 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223154723 TVQDTPXLKWSTRZ-LEWJYISDSA-N 631.549 4.885 5 40 KJBB Cc1noc(/C=C/c2ccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)cc2)c1[N+](=O)[O-] 408606881 RPVUPBYZBUIATF-RUDMXATFSA-N 532.475 4.935 5 40 KJBB C[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408664401 SRLQPWPOAGLFBY-NZSGZAQMSA-N 551.382 4.620 5 40 KJBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409321313 FQZMNEXYBHXPLQ-YVMONPNESA-N 533.291 4.615 5 40 KJBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 409380539 GHOJZBOXIWITCR-UHFFFAOYSA-N 535.909 4.869 5 40 KJBB COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1cc3ccccc3oc1=O)CC2 3005740 PYOAWJGYZJCTCQ-QHCPKHFHSA-N 516.506 4.537 5 40 KJBB CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Cl 16692364 KQYNGEMBWMNJLA-UHFFFAOYSA-N 516.929 4.503 5 40 KJBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222652981 ASKWMHZENWIJIB-LJAQVGFWSA-N 665.566 4.939 5 40 KJBB 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5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225381654 QHXNVOQCBWPLPN-PMERELPUSA-N 624.735 4.897 5 40 KJBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 408639219 FCSJQSDETHLPGM-XWIAVFTESA-N 518.353 4.563 5 40 KJBB COc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 408918462 KTIRJQOGEYQCRB-YCIYHOANSA-N 505.324 4.507 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409038403 OVEKRHMOEOPNNI-UNRSNATKSA-N 682.107 4.570 5 40 KJBB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409098708 JKUDUZVDHVMRAW-XPCGLTFESA-N 608.101 4.690 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccccc1OC 409107358 OYQVPQPITIPRJQ-RAWKODRKSA-N 612.708 4.599 5 40 KJBB COc1cc(-c2nnc(COC(=O)c3ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c3)o2)cc(OC)c1OC 103057659 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662.579 4.949 5 40 KJBB biogenic,in-vitro O=C(O[C@@H]1CO[C@@H](n2c(=O)oc3cc([N+](=O)[O-])c([N+](=O)[O-])cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150369786 KWAGFBZEGTZKIC-CXDXLJMYSA-N 669.555 4.617 5 40 KJBB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222752366 LJNBVJDVURSASN-GOSISDBHSA-N 623.515 4.577 5 40 KJBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223416624 VNEUMKJYJBABNX-SSEXGKCCSA-N 618.687 4.705 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224340653 GKOGJLQKJJJGCY-SANMLTNESA-N 631.151 4.578 5 40 KJBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408649959 FKBHULLDYXLHHK-FXJYFZLZSA-N 536.371 4.515 5 40 KJBB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 409017601 SJWFVGUOYFJUPJ-HRIDGTDGSA-N 617.680 4.689 5 40 KJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1ccc(Br)c(Cl)c1 409198319 CIDVGRKLGXMVII-GRSHGNNSSA-N 581.832 4.522 5 40 KJBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409206586 XJKVSPQXYKTAQH-VRCTWVPOSA-N 500.529 4.560 5 40 KJBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1CCc1ccc(Cl)cc1 1875355 BWKYODHMXDNCEG-SHQCIBLASA-N 514.969 4.657 5 40 KJBB biogenic O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 2720958 YFVOYUOTJARIFI-UHFFFAOYSA-N 511.563 4.847 5 40 KJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1 3332216 CLHFYANJBCRKSO-XDHOZWIPSA-N 544.492 4.913 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 100618695 FGEHOSSWENDUQZ-CBYYHRJHSA-N 580.018 4.629 5 40 KJBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NS(C)(=O)=O 225462391 ARMURJYIOVPIOW-JWQCQUIFSA-N 548.650 4.638 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)N1CCCC1 408549871 APXFAFQNOVUHOI-UDWIEESQSA-N 546.399 4.595 5 40 KJBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408564724 FHGDRBVJPFVJJH-SQOVJYTMSA-N 511.937 4.589 5 40 KJBB O=c1/c(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408838295 UMLOWZZUTZFECC-GXIJPSQLSA-N 543.988 4.609 5 40 KJBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)ccc1Cl 409154941 HVAYUGMYNLEMLY-IUXPMGMMSA-N 524.338 4.753 5 40 KJBB CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409359056 MGVGANMVBRCWNE-IBGZPJMESA-N 537.429 4.888 5 40 KJBB CN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4cccc([N+](=O)[O-])c4)sc3n2)cc1 102630461 LCDDOSAFGNUHPB-UHFFFAOYSA-N 550.540 4.954 5 40 KJBB CCCn1/c(=N\C(=O)c2ccc(-c3ccccc3)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103627854 VRLXGNOOAJOLNX-MXNGAVTRSA-N 506.562 4.644 5 40 KJBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408653991 QHKLAXPVFDAHRB-LKSLQULUSA-N 599.983 4.515 5 40 KJBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC 408941161 JYDXVUWDERWZIZ-URRXENHHSA-N 610.044 4.637 5 40 KJBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 409318530 WGRDKQUGPDOTOO-SREVYHEPSA-N 508.712 4.970 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)o1 409399656 KLXCFOQHVHIVHA-GRSHGNNSSA-N 546.319 4.953 5 40 KJBB CCOc1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=S)sc4[C@@H](c4cc([N+](=O)[O-])ccc4O)[C@@H]3C2=O)cc1 2688991 SICVVHNLIJEGHR-XYJFISCASA-N 515.594 4.614 5 40 KJBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 59886068 PLPRSWIPBNLGQZ-UHFFFAOYSA-N 601.062 4.883 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3ccc(Br)cc3)[C@@H]2C1=O 101064484 DETZSMXXXYDDKV-CGBRIMPHSA-N 558.388 4.938 5 40 KJBB COc1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 106020094 QQUUUSDLHXQQOB-UHFFFAOYSA-N 540.381 4.753 5 40 KJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223233020 MVCFBSZEGDEUKX-MHZLTWQESA-N 580.707 4.821 5 40 KJBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 409046953 LQVBVPYEJPYXSW-MPPVQRIUSA-N 506.514 4.944 5 40 KJBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)c1 409088495 KBJROUIOSNOSTK-XQNWCSQWSA-N 636.715 4.732 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC 409099288 PXJXKIULUSVYGI-RGFRMHDHSA-N 586.670 4.589 5 40 KJBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n21 409100748 RYKFQQMJEQAKOK-VVNKCDPRSA-N 682.578 4.807 5 40 KJBB CCOc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409190711 VPAKNJMVWTXGAS-BXENVCTKSA-N 528.473 4.686 5 40 KJBB COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] 2156771 OOSRWLWMJJSMLW-KMBIYUNPSA-N 530.005 4.889 5 40 KJBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833165 PRQDTJCVEBAJMH-UHFFFAOYSA-N 503.540 4.836 5 40 KJBB O=C(CCc1nc2ccccc2[nH]c1=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 16545166 GEIJJIBBUWDSEB-UHFFFAOYSA-N 507.886 4.636 5 40 KJBB O=[N+]([O-])c1ccc(N[C@H]2[C@@H](OCc3ccccc3)O[C@H]3CC[C@H](c4ccccc4)O[C@H]3[C@H]2O)c([N+](=O)[O-])c1 37246242 GIRHRWPWQOZPND-XBGJXXGBSA-N 521.526 4.506 5 40 KJBB COc1cc(-c2nc(NC(C)=O)c3c(=O)oc4ccccc4c3n2)ccc1OCC(=O)Nc1ccc(C)cc1 102494002 JWTFCCGKNFZRBE-UHFFFAOYSA-N 524.533 4.696 5 40 KJBB Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 102899261 FIXGWXNWRWCBJM-IARZGTGTSA-N 585.594 4.722 5 40 KJBB O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306387 STNFSQDCODUUDU-UHFFFAOYSA-N 535.607 4.541 5 40 KJBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223092739 XGUKTFYUMUJALD-PMERELPUSA-N 600.697 4.566 5 40 KJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247309024 HYRGEAAUZBBSMI-LWSSLDFYSA-N 532.915 4.541 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409096534 KLQXVUOBOBVYAN-AYMIJMNYSA-N 681.752 4.808 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409231218 IOMXNYHXUATQLL-FOKLQQMPSA-N 537.525 4.997 5 40 KJBB Cc1c(Cl)ccc2c1NC(=O)[C@]21[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 101255943 HDQFFEWVVXIMCS-JMBFNUQRSA-N 542.979 4.571 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OCC 408739041 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COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408944588 MYFCUZLIJFKZSV-PLQXQRLBSA-N 580.018 4.547 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409102166 VAHQACZRMQXYPT-LCQSEVKBSA-N 637.114 4.942 5 40 KJBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 409382931 YIVZXLQTXMUGON-UHFFFAOYSA-N 502.357 4.503 5 40 KJBB Cc1cc([N+](=O)[O-])nn1CCc1nc2c3sc4nc(C(F)(F)F)cc(-c5ccco5)c4c3ncn2n1 98046233 JYPHDYYGVVLLLY-UHFFFAOYSA-N 514.449 4.822 5 40 KJBB CC1=NN(c2ccc(F)cc2)C(=O)[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)c1c(C)nn(-c2ccc(F)cc2)c1O 101622846 XZOIJUHMBUKQTL-NOZRDPDXSA-N 533.491 4.949 5 40 KJBB CC(C)C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 102020216 IJGGTWQIFAZJRY-BYVAMKTGSA-N 552.583 4.628 5 40 KJBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 105311061 NTOVZQKKDUWENE-UHFFFAOYSA-N 547.593 4.634 5 40 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593.593 4.955 5 40 KJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1ccc(Cl)cc1 6906632 TVLVEYKTFCKGQA-UHFFFAOYSA-N 523.958 4.935 5 40 KJBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)/C=C\c1ccc(Cl)cc1 102547016 PZRACNGXRWLJOR-AYWVUOQJSA-N 563.054 4.744 5 40 KJBB COc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 102887148 COHIBGBERYDFRK-KCHLEUMXSA-N 565.538 4.874 5 40 KJBB O=C(c1ccccc1)c1ccc(OC(=O)[C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 103550227 PDTKWHWUXPKTSO-XAZDILKDSA-N 585.572 4.821 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)cc1 105512029 JBVZQJNEGMXNDS-PNZYDNNZSA-N 564.019 4.928 5 40 KJBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222454139 GYMTULHATKYQJK-LJAQVGFWSA-N 621.115 4.830 5 40 KJBB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223416864 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Cc1cc(C)n(-c2cc(N3CCN(C(=O)C45C[C@@H]6C[C@H](CC(Br)(C6)C4)C5)CC3)ccc2[N+](=O)[O-])n1 103086343 PJWXTGWSMIJBJH-XCGOXOSTSA-N 542.478 4.780 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223038134 SBVCSSMKBGEIMK-NHCUHLMSSA-N 587.098 4.776 5 40 KJBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1 408923892 HUNRZSURGDHNGF-UHFFFAOYSA-N 594.671 4.846 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 409162120 RSTBCXNJOWNZEE-PIXWUVMMSA-N 661.762 4.672 5 40 KJBB CCOP(=O)(OCC)c1c(Br)c([N+](=O)[O-])c(P(=O)(OCC)OCC)c([N+](=O)[O-])c1Br 3212563 JJTNEAAWZQMOPW-UHFFFAOYSA-N 598.074 4.811 5 40 KJBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NCCc4ccccc4)cc3c3ccnc2c31 8792254 NBWIHEJJZSNGMR-GOSISDBHSA-N 521.573 4.735 5 40 KJBB biogenic O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(F)cc1 138557120 OFUCFBJGQUIIDK-RAWLKHAVSA-N 575.552 4.866 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223361627 YMFKPTFFYFEHCX-AJTFRIOCSA-N 533.625 4.845 5 40 KJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223605142 OZOSZQNITGCDIK-NDEPHWFRSA-N 640.759 4.838 5 40 KJBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224281499 KVQOGTLAPBXQCB-RUZDIDTESA-N 540.016 4.802 5 40 KJBB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225199846 SCCQKBUAQRQADP-SANMLTNESA-N 587.098 4.777 5 40 KJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc3cc(Br)ccc3o2)n1C 409340941 CMUVXIVXVRAWJE-UHFFFAOYSA-N 502.350 4.938 5 40 KJBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 8835483 MKYHMSKILOYYTO-UHFFFAOYSA-N 503.588 4.610 5 40 KJBB COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20239396 GDXFCTUZAOWAAI-UHFFFAOYSA-N 503.964 4.708 5 40 KJBB O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 33670193 NFGMXNWXOWBAAO-UEXGIBASSA-N 509.824 4.612 5 40 KJBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 101466490 WFVIEGWPYBXRJF-NGXZDTIWSA-N 512.518 4.708 5 40 KJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Br)cc2)cc1 408565918 DFVBWPYAEBTWNO-UWSFRGMNSA-N 508.372 4.596 5 40 KJBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)cc1 408647247 UVIDINSIAJCXTG-UIFDUCBYSA-N 583.597 4.784 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732887 AGOCGBBOLKJNRX-QJWUKVPRSA-N 721.913 4.939 5 40 KJBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2=O)=N1 409037750 NJLJCBMODJRVPZ-XPCGLTFESA-N 549.992 4.620 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409041007 YTVDZMDIHUXFFA-KEPJHFNWSA-N 633.679 4.771 5 40 KJBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)o1 409389896 QOJHGLOELXDNQY-UFFVCSGVSA-N 555.477 4.920 5 40 KJBB COc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCCC3)n2)cc1OC 22257522 IWBZCPDPZZMUEL-UHFFFAOYSA-N 510.547 4.711 5 40 KJBB O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 97954729 NHTXPMUVVKFOGS-KCHLEUMXSA-N 549.539 4.861 5 40 KJBB CCOc1cc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc(OCC)c1OCC 106606696 DGINXCPCWOKBDO-UHFFFAOYSA-N 585.727 4.618 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409273133 PWEURNUOEDGBGN-AFUMVMLFSA-N 561.572 4.849 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409348135 RPFDGIZZFHSQFQ-BKUYFWCQSA-N 648.469 4.809 5 40 KJBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 14274371 AMIYDISHLYQZDK-UHFFFAOYSA-N 507.572 4.866 5 40 KJBB COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl 14278803 JJJKYTAYBBBDRA-UHFFFAOYSA-N 510.934 4.598 5 40 KJBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 59331450 VWNPVGQHBNLYGJ-UHFFFAOYSA-N 519.608 4.835 5 40 KJBB Cc1ccc2nc(NC(=O)CSc3nc4ccccc4c4nc(=O)c(-c5ccccc5)nn34)sc2c1 62588334 NZJSWXKSCVPYAD-UHFFFAOYSA-N 510.604 4.954 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccccc1Br 100820892 HOPCCGHPMKNYLE-KRUMMXJUSA-N 549.425 4.835 5 40 KJBB CCCCCn1/c(=N\C(=O)/C=C/c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101240687 SSEASNHQYZFOMN-KAEUPFLXSA-N 519.001 4.810 5 40 KJBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 104091160 RGBVBOYPRRFCQI-KIHHCIJBSA-N 549.370 4.930 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 205871088 NHBAELDTNJPKHG-FYJGNVAPSA-N 637.452 4.836 5 40 KJBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408684367 JTUOMHKKQMWUDM-FTBPSBKWSA-N 541.560 4.772 5 40 KJBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1cccc([N+](=O)[O-])c1 408731678 OVEACZXDEPHIGJ-VPHSIRQSSA-N 644.662 4.701 5 40 KJBB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408825506 DMAXZUBNRIATPD-QARYAGPDSA-N 577.590 4.503 5 40 KJBB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409178139 KUEMVJLUCPUROL-JOCHJYFZSA-N 513.289 4.665 5 40 KJBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409269693 LSRZHEPLRDRHRH-OEAKJJBVSA-N 519.535 4.857 5 40 KJBB O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 150450927 DGDCAWAJCGPTHN-UHFFFAOYSA-N 672.141 4.939 5 40 KJBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223278449 CUNPVZDZGVCJFH-HHHXNRCGSA-N 580.707 4.821 5 40 KJBB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224600327 LXXWPUWZVFVFIG-MUUNZHRXSA-N 580.707 4.678 5 40 KJBB O=C(O[C@@H]1[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)OC[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 255995943 PZNPNYHLTXJURV-XAEBNIDXSA-N 746.550 4.509 5 40 KJBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260980203 AZTQTTIHMZFKCM-DFHRPNOPSA-N 615.152 4.877 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 408907404 NEUJMIZTKSEHLO-PYCBVSLESA-N 659.717 4.701 5 40 KJBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(O)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 409100856 XCKXAGKFEPUACS-NAIWQIQESA-N 666.741 4.746 5 40 KJBB Cc1ccc(Cl)cc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409137805 YXMDLYOOGZCDSO-HXUWFJFHSA-N 517.011 4.543 5 40 KJBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 409144266 XQMUFTQXPUVMGZ-ONUIUJJFSA-N 574.615 4.685 5 40 KJBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)CC1 409271554 KAPLLGXKZLTUOO-CIAFOILYSA-N 526.527 4.590 5 40 KJBB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12 1547208463 DXTQQQQGVOEDMM-NFLZHMFJSA-N 579.657 4.605 5 40 KJBB biogenic Cc1ccc(NC(=O)c2ccc(CN3CC[N+](C)([O-])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 22061372 MSADRWGPCQTOST-UHFFFAOYSA-N 509.614 4.603 5 40 KJBB in-man O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 97948708 MZORIJZUGFCSQM-UHFFFAOYSA-N 597.374 4.542 5 40 KJBB CCCCn1/c(=N/C(=O)c2c(OCC)ccc3ccccc23)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100823301 UUDIRXWYJBVLMU-PJJLUWSFSA-N 538.604 4.919 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1c(-c2c(F)cccc2Cl)noc1C 101176505 OAOUVFZMPSMPQZ-MKCFTUBBSA-N 563.973 4.904 5 40 KJBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 223971410 WXOVFGYOZGBXGO-HNNXBMFYSA-N 524.401 4.765 5 40 KJBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225285938 AKFAMEKBHBHBDF-SANMLTNESA-N 519.598 4.539 5 40 KJBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc(Cl)cc1)N1C=Cc3ccccc3[C@@H]21 248103024 KJJSEYOOWMMQIN-FQUZAXHOSA-N 513.937 4.955 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733914 RRBMAKZWHMBBKY-UTWPHBJQSA-N 701.495 4.594 5 40 KJBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1N1CCOCC1 409197168 XOZNYZJVKKWIAE-ONUIUJJFSA-N 574.615 4.685 5 40 KJBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409206585 XJKVSPQXYKTAQH-NGZBARDMSA-N 500.529 4.560 5 40 KJBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl 409358586 MFTSLIWENWNEQV-LBPRGKRZSA-N 523.402 4.735 5 40 KJBB CC1(C)CCc2c(cc(OCC(=O)N3C[C@@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)c3c(-c4ccccc4)cc(=O)oc23)O1 524730335 FWEXGUHNFRRNJF-FPOVZHCZSA-N 597.624 4.658 5 40 KJBB biogenic O=C(c1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@@H]1[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 1400471 VNBILZBMIHMUMN-FYYLOGMGSA-N 504.486 4.522 5 40 KJBB Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2cc(O)c3c(=O)c4cccc(C)c4oc3c2)cc1 13576436 HZTWTGAHSGEISW-UHFFFAOYSA-N 509.580 4.713 5 40 KJBB O=C1CS[C@@]2(C(=O)N(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c3ccccc32)N1c1ccc(F)cc1 98009050 RABCVELPUSQCFM-MHZLTWQESA-N 601.582 4.812 5 40 KJBB O=C(NCc1cccnc1)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 100842079 ZUSGPXKKCKVEOO-VEILYXNESA-N 544.571 4.930 5 40 KJBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222849009 XXKYAMLZCJOVCF-MHZLTWQESA-N 645.576 4.536 5 40 KJBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 224817008 QCTDDTLUFGNKOS-RPBOFIJWSA-N 501.568 4.975 5 40 KJBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 408646722 UGPXIZNWLNYUCR-UHFFFAOYSA-N 634.022 4.861 5 40 KJBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 409318284 UQVATVSMPPZBPL-DAXSKMNVSA-N 508.712 4.970 5 40 KJBB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 103014981 LEOTYOACWHKIRO-UHFFFAOYSA-N 519.568 4.744 5 40 KJBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)cc1I 105314622 KNKBOLHRKJYWHC-UHFFFAOYSA-N 538.411 4.933 5 40 KJBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112240189 FPUPVYNODGUHMO-UHFFFAOYSA-N 549.634 4.844 5 40 KJBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224504256 FGCNYRZSCITOFG-AREMUKBSSA-N 645.576 4.678 5 40 KJBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409126640 LZIVNOBJZFOPOI-MRXNPFEDSA-N 551.654 4.860 5 40 KJBB COc1ccc(C(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN23)cc1 9359853 QKOKFEDFPJKHSQ-JLLPCOHGSA-N 506.356 4.843 5 40 KJBB O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)N1CCN(c2ccccc2)CC1 33356293 SVIHFCKSNXQRBN-SANMLTNESA-N 568.659 4.616 5 40 KJBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 59883081 HOKDPCLIINRHQG-UHFFFAOYSA-N 610.670 4.547 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 100065367 OKOPLPUWZQYXAR-JAYSWQADSA-N 610.044 4.637 5 40 KJBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224007151 LEZVBIBRQLYCNL-ZBLYBZFDSA-N 549.624 4.546 5 40 KJBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224371492 UIUAVXUMFGHAJT-SANMLTNESA-N 601.125 4.569 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225340382 OQBUBHNVOIIMNZ-HUUCEWRRSA-N 512.390 4.621 5 40 KJBB CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2F)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565945 MFUVZMLSLUTHOI-MQVPCNEGSA-N 526.362 4.689 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409097760 JHEPPOMTHRASKW-QPJBPQEWSA-N 607.088 4.934 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Cl)cc3)C2=O)o1 409401962 UQJILTRMOMXQRB-NVMNQCDNSA-N 546.319 4.953 5 40 KJBB O=c1/c(=C\c2ccc(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 36047214 TZCBNEOLPVQOMH-ZDGAQAAHSA-N 515.978 4.586 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(Cl)cc1)N1C=Cc3ccccc3[C@@H]21 100863605 ASQJKEAMNOQTQZ-NDBXHCKUSA-N 529.936 4.655 5 40 KJBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 261012787 HEMINTSDUHUXIB-ZBLYBZFDSA-N 675.602 4.687 5 40 KJBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OC)c(OC)c2)cc1 408569857 JZAJVKRUEQCBQA-LJQANCHMSA-N 523.409 4.864 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408944451 MMNMTAKBVJRMEG-VVNKCDPRSA-N 580.018 4.547 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409156485 GAMZILFUSPEAHX-BKUYFWCQSA-N 520.523 4.774 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccccc1N1CCOCC1 409194979 OAHRQEWNYUUHGW-YZSQISJMSA-N 574.615 4.685 5 40 KJBB COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2-c2ccc(OC)cc2)cc1 9302127 YTWJHXZYKDJZTA-UHFFFAOYSA-N 503.540 4.862 5 40 KJBB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223573019 OKAAWZYCWLYCGA-NRFANRHFSA-N 617.124 4.622 5 40 KJBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225559449 XRMCBJGYALBIBI-JGCGQSQUSA-N 644.750 4.802 5 40 KJBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)cc2)c1 408683247 MLGBNZDBPZBUKN-NPYONTDKSA-N 603.587 4.796 5 40 KJBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409098789 PNQFOXJFZLXZRI-MGSPXPDISA-N 608.101 4.690 5 40 KJBB CCOc1cc(C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409181058 ZTMOLSAPKQXYMJ-UHFFFAOYSA-N 558.389 4.989 5 40 KJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 21123673 OFYZUTFBCZJLSP-ZRDIBKRKSA-N 514.460 4.718 5 40 KJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN12 408565643 LQHOVHIGBZMWPB-AWTIUKJOSA-N 579.407 4.991 5 40 KJBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)CC1=O 408665245 OTOYWJJQKWOPHB-RNZFFBOOSA-N 629.625 4.959 5 40 KJBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)c2)CC1=O 408672498 VDWYWYTWFVFOSF-YRZDLWAJSA-N 629.625 4.959 5 40 KJBB COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409188905 CCXNWAFOLRACDM-BGVJUERLSA-N 560.515 4.593 5 40 KJBB CN(CCc1ccccc1)c1ncc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(CCC2CCCCC2)n1 585265228 BWMXHTDDOZASFT-UHFFFAOYSA-N 551.669 4.695 5 40 KJBB CC1=C(C(=O)N2CCN(Cc3ccccc3)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 22832956 IAAPLGCZBFFNSW-MHZLTWQESA-N 508.582 4.578 5 40 KJBB O=C(NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O)c1cc([N+](=O)[O-])ccc1Cl 100009053 XFFMWODNQVJMDT-UHFFFAOYSA-N 537.573 4.598 5 40 KJBB O=C(O)CCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)[C@H]31 170623239 GHZYGODOLPWVJC-WUHXLMBJSA-N 642.111 4.525 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccccc1 214651331 SEDFLQFXPGQPHI-CIAFOILYSA-N 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COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br 1316698 PQOCXMGKHRLBJX-FKBYEOEOSA-N 542.317 4.556 5 40 KJBB COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)c(C)cc1[N+](=O)[O-] 12794128 KMXZWVZNVMJEIX-UHFFFAOYSA-N 504.568 4.959 5 40 KJBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2cc(C(=O)O)c(Cl)cc2Cl)CC1 20153251 YKGYBKAUHVAGDQ-UHFFFAOYSA-N 511.387 4.963 5 40 KJBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(I)c(O)c([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1 163257205 PFXHIWYTVOPUDV-ZDGAQAAHSA-N 637.455 4.546 5 40 KJBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224250506 BHIJNPWVVLMRKC-NRFANRHFSA-N 587.098 4.633 5 40 KJBB COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225119223 MRKSAXBWUQWELU-YTTGMZPUSA-N 644.750 4.963 5 40 KJBB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225407640 KSLSXKUJJNRKNO-ZEQRLZLVSA-N 535.607 4.798 5 40 KJBB 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CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 102895633 ZVDLMIMHKPDZTD-HJOGWXRNSA-N 568.380 4.816 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225712028 XJOITRRHLOXWMM-HTAPYJJXSA-N 587.526 4.698 5 40 KJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229648518 BAESHRZXCGUVQV-ZANBNESNSA-N 542.551 4.972 5 40 KJBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408566397 NTNHMRXDRBXRPS-FBQMUFCQSA-N 507.974 4.840 5 40 KJBB COC(=O)[C@@](C)(Cl)Cc1ccc(-c2ccc(C[C@@](C)(Cl)C(=O)OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 12436563 VONXVTILCSXAJC-SZPZYZBQSA-N 513.330 4.596 5 40 KJBB O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 16399961 OULAPPXPFGYLOM-UHFFFAOYSA-N 505.531 4.716 5 40 KJBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(C(C)(C)C)cc1 102919149 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409178069 JFAVXBNQHUXSFV-ITIZVALFSA-N 653.467 4.946 5 40 KJBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 102097611 LCLWFEZQNCZOPC-GZDPPATPSA-N 524.529 4.564 5 40 KJBB COc1ccc(CN2CCN(C(=O)c3ccccc3C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)c(OC)c1OC 102885025 YKSZYQPSLYMWBA-UHFFFAOYSA-N 565.648 4.532 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)[C@H](CC)c1ccccc1 103629677 LOHZXQJSDHJBGM-YDBXTEJPSA-N 534.616 4.690 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214289743 KOMJCDLDKWZKLY-CIAFOILYSA-N 581.525 4.700 5 40 KJBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223152744 WRERTDPIWWZFLH-NRFANRHFSA-N 587.098 4.777 5 40 KJBB CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O 409205077 KZVSRFSYMDYYLD-YBFXNURJSA-N 501.473 4.675 5 40 KJBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)ccc12 2091815 LBSZMSXOVWRAKD-DEOSSOPVSA-N 509.580 4.562 5 40 KJBB biogenic COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 59858169 JISYHUBXAPRAPO-UHFFFAOYSA-N 624.697 4.855 5 40 KJBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 101466492 WFVIEGWPYBXRJF-WVQWTBLQSA-N 512.518 4.708 5 40 KJBB C[C@@H]1N(C)c2cc(NC(=O)c3ccco3)c([P@](=O)(Nc3ccc([N+](=O)[O-])cc3)N3CCOCC3)cc2C1(C)C 103957210 ILYOTFFSLIOBCU-HFOAXFSUSA-N 553.556 4.819 5 40 KJBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1 105317377 DXVPBAUUTDXXJL-UHFFFAOYSA-N 572.691 4.593 5 40 KJBB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224647854 NYWFYLSEHAWOQM-NRFANRHFSA-N 599.109 4.920 5 40 KJBB CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)cc1 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O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F 225618180 SWZXJBZKSFGRDQ-UIOOFZCWSA-N 530.585 4.921 5 40 KJBB CC[C@H](C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260953218 ZHXISUVQTHHUDR-XMSQKQJNSA-N 505.637 4.766 5 40 KJBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408647176 UQQBTZDZQZJSGM-GOTSBHOMSA-N 589.988 4.883 5 40 KJBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408680760 GKOMSEIYRQCEFC-UHFFFAOYSA-N 515.265 4.663 5 40 KJBB Cc1cc(I)cc(C)c1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409159334 SWSCATOIRLSRHI-IBGZPJMESA-N 608.462 4.792 5 40 KJBB COC(=O)[C@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(F)(F)F 2050346 NPRKGYSOEROGMG-KRWDZBQOSA-N 523.276 4.785 5 40 KJBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)ccc12 2095727 NTHGNNKZEXPSDJ-DEOSSOPVSA-N 523.607 4.870 5 40 KJBB biogenic CC[C@H](C)Oc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 12861088 PIHVMHXGVJZCDW-HNNXBMFYSA-N 510.538 4.628 5 40 KJBB Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1-c1nc2ccccc2o1 22842480 CMXTWDYRWIHRKP-UHFFFAOYSA-N 517.567 4.675 5 40 KJBB O=C(NC(=S)Nc1nc(-c2cccc3ccccc23)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22844130 GTNQCFYWTIIXQS-UHFFFAOYSA-N 519.608 4.835 5 40 KJBB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)c(OC)c1 70708106 LZVJZBXMEOLZOL-QGZVFWFLSA-N 567.598 4.710 5 40 KJBB biogenic Cc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cccc(Cl)c2)cc1[N+](=O)[O-] 100816753 AVJRCZBTYSUFOZ-UHFFFAOYSA-N 563.039 4.749 5 40 KJBB COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 102697265 UMKWCQWKDMGFFE-OAHLLOKOSA-N 556.653 4.779 5 40 KJBB O=C(O[C@H]1CO[C@H](n2c(=O)oc3cc([N+](=O)[O-])c([N+](=O)[O-])cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150369783 KWAGFBZEGTZKIC-AUAHOFGGSA-N 669.555 4.617 5 40 KJBB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223258672 PUSPRIFWGPWURC-QFIPXVFZSA-N 614.696 4.580 5 40 KJBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1)Nc1ccccc1F 225618102 VFRZDWZBSVRZBJ-FTJBHMTQSA-N 530.585 4.921 5 40 KJBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 247337634 RGBVBOYPRRFCQI-YCAMKHIRSA-N 549.370 4.930 5 40 KJBB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409143213 VZNNLDFMIXMWNT-FQKMCRJQSA-N 631.736 4.662 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409151160 GWOQPOFBXVCNRS-CFRMEGHHSA-N 597.627 4.663 5 40 KJBB C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409340677 AHFPPQJKXPEXCN-JTQLQIEISA-N 543.820 4.905 5 40 KJBB COc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(Cl)cc2Cl)C1=O 18155364 HXEWDDRSXPSICH-FDFHNCONSA-N 514.321 4.961 5 40 KJBB O=c1/c(=C\c2ccc(I)cc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 147679282 MXBJJYRQUKACDM-ZDGAQAAHSA-N 591.430 4.832 5 40 KJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224360564 MLZZXFLSNRMZQB-OAQYLSRUSA-N 503.983 4.502 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409260181 MCYRWAUNOBYTEC-BKUYFWCQSA-N 695.469 4.651 5 40 KJBB Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)c3ccccc3[N+](=O)[O-])c3cc(Br)ccc32)c1 9614496 MIOYKRZGHFTMAG-VWLOTQADSA-N 509.356 4.982 5 40 KJBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12 100869566 FRMOMPDFUKLOAF-UHFFFAOYSA-N 553.505 4.688 5 40 KJBB CC(=O)c1ccc(NC(=O)CSc2nnc3c4sc5nc(N6CCOCC6)c6c(c5c4ncn23)CC(C)(C)OC6)cc1 102598719 FOQFEKCBRMUPNH-UHFFFAOYSA-N 603.730 4.509 5 40 KJBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 112239783 ZYBREXLVYMMWHO-UHFFFAOYSA-N 549.487 4.619 5 40 KJBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223233642 QNJFHOAXGMEEHT-HKBQPEDESA-N 614.724 4.875 5 40 KJBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C 225278095 XUNJDGLTDDEARC-SXOMAYOGSA-N 542.621 4.851 5 40 KJBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(I)cc1)OCc1ccccc1 408738360 RPXQIBACAIPWJF-NRFANRHFSA-N 545.333 4.676 5 40 KJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1/N=C(c2ccco2)OC1=O 409192234 ACCDKXWKYKNWMO-OMCPYIIGSA-N 509.268 4.914 5 40 KJBB CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(Br)cc2)N[C@H](c2ccc(Br)cc2)[C@@H]1[N+](=O)[O-] 33929616 HUTRAJQDESQABB-FZDBZEDMSA-N 513.186 4.914 5 40 KJBB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 105316484 QGKMDTZDOSKGHI-UHFFFAOYSA-N 556.044 4.940 5 40 KJBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222831524 VJYPWDMCADUOEK-FQEVSTJZSA-N 587.098 4.776 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223808958 PQSIKOCJFRXURJ-JIPXPUAJSA-N 645.576 4.678 5 40 KJBB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224614594 ALHSDDDSGIRMJC-VWLOTQADSA-N 631.151 4.747 5 40 KJBB Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 260904279 ILNFXJNBMGMJSK-SSEXGKCCSA-N 606.745 4.758 5 40 KJBB CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408882730 RZZGQMXVCSCOPP-CHHVJCJISA-N 509.294 4.595 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408975117 HRTYFCNSPVGITP-PRLWALMFSA-N 587.654 4.982 5 40 KJBB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409123456 HCVSWAJVYCXDCG-FQEVSTJZSA-N 517.011 4.718 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409270110 FUXVWMXSNILUDV-QPJBPQEWSA-N 655.571 4.714 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)N1CCc2ccccc2C1 409273189 IWYJPDWWMKHNJH-ZMOGYAJESA-N 560.544 4.917 5 40 KJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)o1 409375699 OBUWLPGZHDAIMU-YDZHTSKRSA-N 503.536 4.784 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)C2=O)o1 409403332 ZRHQUJMWONQWER-NVMNQCDNSA-N 546.319 4.953 5 40 KJBB COc1ccc(-n2c(SCC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)nnc2-c2ccccc2)cc1 12542448 LFMLHNBHAVYYHP-UHFFFAOYSA-N 505.556 4.899 5 40 KJBB COc1ccc(-c2csc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1Br 16250153 QEXHPEXNWOYXJB-UHFFFAOYSA-N 507.391 4.925 5 40 KJBB COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@]23c2ccc([N+](=O)[O-])cc2)cc1 102705599 TUWUSSJXODWDSL-VWYPKUQYSA-N 521.529 4.976 5 40 KJBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223370055 FYFTUTPMCAXMTA-OAHLLOKOSA-N 512.390 4.623 5 40 KJBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224797329 LOHGJZJYFZKISU-JOCHJYFZSA-N 587.526 4.556 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729019 BTWMANKAPTVVTP-NFYDWNOTSA-N 654.495 4.746 5 40 KJBB CCOC(=O)c1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2OC)cc1 12311718 JXKSCZZSULRONC-UHFFFAOYSA-N 506.540 4.850 5 40 KJBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)ccc1Cl 100369941 IMJOSGJWRFUTJE-JAIQZWGSSA-N 580.040 4.574 5 40 KJBB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1O 106019761 BCBUTPALVKTCJX-MQSCRBSSSA-N 554.353 4.513 5 40 KJBB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 113832683 MHAUHFVMWRURKV-XSFVSMFZSA-N 512.521 4.612 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 150389533 AIEUQHPOGSMRQS-KCQXITDRSA-N 684.521 4.755 5 40 KJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224535664 NHTJOMRDSXUEFF-GDLZYMKVSA-N 608.717 4.665 5 40 KJBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225203998 WAUGFIAVADCFCS-KRWDZBQOSA-N 502.409 4.766 5 40 KJBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])cc1 408729615 CTCNLOIEVVRIFL-YVBHXKDBSA-N 644.662 4.701 5 40 KJBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409102293 RNGZZAXSBNNKBM-NTWBUQQASA-N 606.689 4.723 5 40 KJBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 409104563 JUIVRWHMBJDNIZ-AOFXREQWSA-N 656.761 4.998 5 40 KJBB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)c1nc2ccccc2[nH]1 604404552 PJKASWCVBHJELB-JJEDAKCASA-N 566.662 4.701 5 40 KJBB biogenic COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)ccc2[N+](=O)[O-])cc1OC 8385448 LTSPSHFYOZBCPH-UHFFFAOYSA-N 576.675 4.931 5 40 KJBB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)c1 70708354 APYQDMVPWIGFPT-MRXNPFEDSA-N 549.539 4.571 5 40 KJBB biogenic O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 102511290 LCLWFEZQNCZOPC-ZCFUWVSLSA-N 524.529 4.564 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 102778721 COXQQRGMEDSJFB-UPWSPCOFSA-N 620.083 4.948 5 40 KJBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2[N+](=O)[O-])C1 103091271 JGVYMHKHWHNANX-OKILXGFUSA-N 524.452 4.800 5 40 KJBB 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ITDXNJQRVKVWMO-MGSPXPDISA-N 594.443 4.729 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409276795 WNHSXHBHRPUMPV-CVKSISIWSA-N 559.600 4.804 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 101176624 XKRDNGNCJISVQV-GDWJVWIDSA-N 500.599 4.521 5 40 KJBB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225201989 AKOOSDWGFYSRLQ-KRWDZBQOSA-N 522.465 4.924 5 40 KJBB CCOc1ccc(N2C(=O)[C@H]3[C@@H](Sc4[nH]c(=S)sc4[C@H]3c3cc([N+](=O)[O-])ccc3O)C2=O)cc1 248381168 SICVVHNLIJEGHR-LZLYRXPVSA-N 515.594 4.614 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408571625 PIAAXLYWXNAIIT-BWBSTZKSSA-N 511.937 4.635 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C(=O)O)o3)c(=O)n2[C@H]1c1cccc2ccccc12 409083754 ULRUMRLTFAGJPK-LCQSEVKBSA-N 609.616 4.818 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409198286 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O=c1/c(=C/c2cc([N+](=O)[O-])cc(Br)c2O)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408758053 UUVRDNJIYDPMNN-MFUBYVTQSA-N 560.429 4.695 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409198577 IAFNTJNWOORYPJ-IWIPYMOSSA-N 533.562 4.900 5 40 KJBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4N4CCOCC4)C3=O)o2)c([N+](=O)[O-])c1 409199561 PBSMKHSQZJNSTD-BUVRLJJBSA-N 548.577 4.675 5 40 KJBB Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1 4647714 AZCUGYNJNKXPFK-HNNXBMFYSA-N 517.947 4.541 5 40 KJBB COC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Br 100236349 BVLZRPQUQWRCJG-PXNMLYILSA-N 541.763 4.799 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408568363 UALJGRPQEHCHEL-RBCLPQBLSA-N 509.562 4.996 5 40 KJBB CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408827438 JQPLQKHTZHSWLN-ZJTZAHLKSA-N 601.637 4.784 5 40 KJBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)c(OC)c1 409089472 NVRBSMPWZMJLPR-NULZLWRNSA-N 666.741 4.741 5 40 KJBB CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409142288 XSTVJOFETVZVOK-OAQYLSRUSA-N 622.489 4.977 5 40 KJBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C2=O)cc1Cl 409251811 BSXXAZLELXVVIZ-UUYOSTAYSA-N 634.044 4.708 5 40 KJBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1Br 524735350 WNPKSOSPCDSTCH-KEVKATSASA-N 604.413 4.773 5 40 KJBB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22842475 LOSISGFHGANGFB-UHFFFAOYSA-N 517.567 4.675 5 40 KJBB COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 106707904 XZHKRLFKXCEXGM-HMAPJEAMSA-N 540.575 4.916 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408833036 RHJQSQMIRCHMDG-FQKMCRJQSA-N 600.609 4.715 5 40 KJBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409064786 GEKGBKQQNRGJPI-LBFZPMSMSA-N 694.241 4.981 5 40 KJBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@H](C)CC4 6600337 BRUZRUFNNQBCLC-CYBMUJFWSA-N 542.643 4.900 5 40 KJBB O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 100309920 CYHZQAKNGASNSK-UHFFFAOYSA-N 543.355 4.763 5 40 KJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223637948 LTCLFCIWOZRSCZ-MHZLTWQESA-N 596.706 4.521 5 40 KJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224206641 AGSNBEWUNBWNKG-GDLZYMKVSA-N 592.718 4.965 5 40 KJBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225182612 LOBKCWKRAJGGHG-QFIPXVFZSA-N 614.696 4.580 5 40 KJBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1ccc(Br)cc1)OCc1ccccc1 408997798 IGBKVNWEDVFHPW-QFIPXVFZSA-N 541.354 4.621 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409274905 GSBSXRZJAWKRSI-BUVRLJJBSA-N 539.610 4.867 5 40 KJBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)N4CCN(c5ccccc5)CC4)nc2c31 8792376 NHGKPMWNQIMOGS-UHFFFAOYSA-N 518.573 4.572 5 40 KJBB biogenic COc1c([N+](=O)[O-])cc(C(c2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] 33354593 QIIMHOLOGZAIBN-UHFFFAOYSA-N 525.641 4.839 5 40 KJBB CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)C(=O)NCc1ccco1 101307901 RLCLQBKHSMPPFX-JOCHJYFZSA-N 548.581 4.650 5 40 KJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223413614 JBBZWVVQOIJAPA-SANMLTNESA-N 584.670 4.651 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C)cc1 408833379 JQTFSSYCQPMDKU-MIUGUJGPSA-N 599.665 4.603 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 408905525 BKCLADPIKRVPSR-PQRKSKNISA-N 629.691 4.693 5 40 KJBB COc1ccc(CCNc2cc(N3CCN(C(=O)CCC4CCCC4)CC3)ccc2[N+](=O)[O-])cc1OC 8444729 BRIMCJVVCVMDCN-UHFFFAOYSA-N 510.635 4.886 5 40 KJBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4ccc(Sc5nnc[nH]5)c([N+](=O)[O-])c4)c(=O)n31)c1ccccc1CC2 101532812 LIUQCUXJLJYDSD-CRCYZHLCSA-N 594.678 4.505 5 40 KJBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163622620 BIZBHTGFNBICIU-CFINBHSISA-N 646.825 4.673 5 40 KJBB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224115994 AKDIIBOJOUOTIH-DEOSSOPVSA-N 617.124 4.704 5 40 KJBB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)c4)cc3)C(=O)[C@H]2C1 408676511 DEINLFSAJBGFNJ-UIOOFZCWSA-N 567.554 4.733 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1-n1c(/C=C/c2cccnc2)nc2ccc(I)cc2c1=O 8737904 DSYDTQQFGVKCOJ-WEVVVXLNSA-N 510.291 4.772 5 40 KJBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NCc4ccccc4)cc3c3ccnc2c31 8792280 UWXNXZAWEDAOSZ-KRWDZBQOSA-N 507.546 4.693 5 40 KJBB biogenic Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)ccc2o1 59331493 SFZDHVDBPBQUPQ-UHFFFAOYSA-N 517.567 4.675 5 40 KJBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 103017397 KJQHTALLFZJOFF-UHFFFAOYSA-N 529.596 4.537 5 40 KJBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224814317 ZKTAWYYBSKRBJN-QGZVFWFLSA-N 503.983 4.502 5 40 KJBB CC(C)[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408651083 GJPMLIUFBKAQLH-UKIGHJFBSA-N 607.446 4.939 5 40 KJBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccc(Br)cc2)cc1 408682094 IQXHQVGEFKTDHS-QFIPXVFZSA-N 516.369 4.964 5 40 KJBB CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)sc2c1CC[C@@H](C(C)(C)C)C2 845118 HNPBUTLSHFNNHV-GFCCVEGCSA-N 527.441 4.890 5 40 KJBB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)cc1[N+](=O)[O-] 8922954 DWNJGAPAOLKPAV-XMMPIXPASA-N 501.322 4.918 5 40 KJBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103541484 QFQNFSBUMVTLLS-CKXMCULTSA-N 542.551 4.846 5 40 KJBB COc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 112229074 JBKRKOQZDGZALM-UHFFFAOYSA-N 547.593 4.683 5 40 KJBB C[C@H](O)[C@@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(OP(=O)(Oc3ccccc3)Oc3ccccc3)[C@H](C)[C@H]12 113761828 STULDTCHQXVRIX-QIMADWELSA-N 594.513 4.990 5 40 KJBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NC1CCCC1 260790071 NCWKAJPNSJYROJ-HSZRJFAPSA-N 578.691 4.575 5 40 KJBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409008979 AVRXPCMWNJVFDW-OTGIAGGSSA-N 520.947 4.824 5 40 KJBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409100452 NMWWNEODWUJEBO-NNLQFVHNSA-N 521.345 4.534 5 40 KJBB O=C(O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409124277 AOSRYIOKHLOMKG-VIZOYTHASA-N 527.736 4.711 5 40 KJBB CCOCCCn1/c(=N\C(=O)c2ccc(Cl)cc2Cl)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 1876669 XEGLKYQKOOUJOT-QLTSDVKISA-N 557.434 4.609 5 40 KJBB CCOc1ncccc1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 12600921 OLJJFRNHJOSEQJ-LJQANCHMSA-N 500.305 4.688 5 40 KJBB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 30848303 GBEQUZPPDGFLPN-HAVVHWLPSA-N 507.568 4.567 5 40 KJBB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2[C@H](c3ccc(Cl)cc3)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 33354936 RGSGDSLPOXYJLD-ULCQYYMNSA-N 650.069 4.953 5 40 KJBB Cc1ccc(NC(=O)c2ccc(C[N+]3([O-])CC[N+](C)([O-])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 77301188 MFKGVMIUOYNDCV-UHFFFAOYSA-N 525.613 4.616 5 40 KJBB in-vitro CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OC(C)=O 103791672 BSTKPUMSIFCWCL-KEPJHFNWSA-N 567.623 4.551 5 40 KJBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc(-c2cccc(Cl)c2Cl)o1 110244988 VNFDMKHTIYAOOP-UHFFFAOYSA-N 590.489 4.835 5 40 KJBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224832664 VKJMPCMNIRBMHN-JOCHJYFZSA-N 587.526 4.556 5 40 KJBB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225661280 CBSAVBLTOAHYCS-OAQYLSRUSA-N 587.098 4.633 5 40 KJBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408568893 VDVUIPSWAWJKML-CNOGLUJGSA-N 507.974 4.886 5 40 KJBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)c2)CC1=O 408672496 VDWYWYTWFVFOSF-RNZFFBOOSA-N 629.625 4.959 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 408730221 PALQOQDLLNUECB-YMSBRDKKSA-N 594.443 4.729 5 40 KJBB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409097895 OTFLLWJGSREJHR-WSDLNYQXSA-N 550.955 4.676 5 40 KJBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409247030 FYWAQPYGSFCZDJ-LPYMAVHISA-N 625.432 4.875 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4ccccc4n3Cc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8401399 LWJICDYESHWOOU-PYCBVSLESA-N 608.676 4.718 5 40 KJBB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC 12532996 HJUDOXXGUMYCJY-FQEVSTJZSA-N 509.540 4.517 5 40 KJBB Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1cc2ccccc2o1 112242956 QRGLZNGJVFZGNN-UHFFFAOYSA-N 559.604 4.865 5 40 KJBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223133244 FHNLHFZBTIMLBF-AREMUKBSSA-N 505.640 4.913 5 40 KJBB CCCc1ccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3C)S(C)(=O)=O)cc2)cc1 224864104 PZBOJHDOFYJVFQ-UHFFFAOYSA-N 525.627 4.631 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409096073 FIIRBAQXTAESBS-WLBMKMHBSA-N 669.741 4.824 5 40 KJBB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409273168 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559.360 4.984 5 40 KJBB Cn1c(O)c(C(c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S 409102111 UVCYHOPAFDIPKX-UHFFFAOYSA-N 652.538 4.605 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 409273376 QHVGFUBEVBKPIE-OYKKKHCWSA-N 547.545 4.540 5 40 KJBB O=c1/c(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 8437105 LTUQFINOHWIOIX-GXIJPSQLSA-N 543.988 4.609 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408837721 MESHKCHEBGNSGD-MFUBYVTQSA-N 567.982 4.759 5 40 KJBB CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C/c3ccc(Sc4ccccc4)o3)c2=O)=N1 409088178 FFFHJXJJEXJJCQ-DIXABZHVSA-N 561.641 4.839 5 40 KJBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 409247985 JEKJMHZYKDXAAZ-CAOOACKPSA-N 531.308 4.702 5 40 KJBB CCCC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 8721568 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COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 225673413 JYNKMTPUOHBXFU-SXOMAYOGSA-N 542.621 4.790 5 40 KJBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Br)cc4)o3)CC2)c([N+](=O)[O-])c1 408573870 PKDTVCXSKUXIBV-UHFFFAOYSA-N 528.359 4.756 5 40 KJBB O=C1[C@H]2N=NN(CC(=O)N3N=C4/C(=C/c5ccc(F)cc5)CCC[C@H]4[C@@H]3c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 8455344 RPWCBMJGESQTFC-OQVPSPMKSA-N 625.592 4.989 5 40 KJBB CCOC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)sc(C)c1C 12017339 ULOLGBZDOHNAAX-FSSWDIPSSA-N 521.551 4.501 5 40 KJBB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)NC(=O)N1 26964981 DKDAQRGADQYUNT-AREMUKBSSA-N 509.522 4.819 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 140065060 VVLCTGIQGNGRCJ-UHFFFAOYSA-N 584.054 4.571 5 40 KJBB Cc1ccc(COc2ccc(Br)cc2[C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 408565273 JFDZMOPZTPVXEC-KHMOSXFSSA-N 522.399 4.858 5 40 KJBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408566402 NTNHMRXDRBXRPS-OICBGKIFSA-N 507.974 4.840 5 40 KJBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC 408569611 JVMZGMWHAKOHBE-IBGZPJMESA-N 511.373 4.995 5 40 KJBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OS(=O)(=O)c5ccc(C)c([N+](=O)[O-])c5)cc4)c(=O)n32)c1 408765818 BLYWZYUYCYAGDQ-KFOJKGMOSA-N 696.763 4.867 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408995841 FFHVNMPGRMDPIG-CBYYHRJHSA-N 624.469 4.738 5 40 KJBB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409096474 KFLDVSNQSIPZCI-WSDLNYQXSA-N 595.406 4.785 5 40 KJBB O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 4125253 NTORKPPPJWDWOI-UHFFFAOYSA-N 531.396 4.961 5 40 KJBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] 224925847 OCDBOHRFDMMYEF-RUZDIDTESA-N 540.016 4.800 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 408826351 GHAOBVRIBNBREA-PNZYDNNZSA-N 579.631 4.828 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409097690 JBNIZPFEEKWRJD-NBQDTTAVSA-N 642.734 4.608 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 409152054 JIEFAZLZBITBTP-FQKMCRJQSA-N 573.627 4.592 5 40 KJBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 409152160 AKWFCDANVOFJSY-WSDLNYQXSA-N 550.505 4.979 5 40 KJBB CCCN1C(=O)N/C(=C/c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409220960 IKKVCCBGZSRCCN-VCHYOVAHSA-N 504.337 4.638 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409249396 HUEZPPPDPNVWDO-UHFFFAOYSA-N 548.961 4.616 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4ccccc4n3Cc3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1 8401387 BFQVSEMWIVWFLC-PYCBVSLESA-N 608.676 4.718 5 40 KJBB O=C1[C@@H]2CC(c3ccccc3)=C3[C@H]4C=C[C@H]([C@H]5C(=O)N(c6ccc([N+](=O)[O-])cc6)C(=O)[C@H]45)[C@@H]3[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 8442526 CRXYREGDEDKHDO-ZPYRHYKOSA-N 616.586 4.704 5 40 KJBB CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 8683937 OXCBQOPFOZXGFU-FYSMJZIKSA-N 535.644 4.675 5 40 KJBB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223661729 RVMSAJRQPDNLMC-NRFANRHFSA-N 617.124 4.622 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260919490 LVLVZIRBXOOQTR-SSEXGKCCSA-N 606.745 4.758 5 40 KJBB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409148069 XZWIBMFGCCECQX-JOCHJYFZSA-N 510.620 4.681 5 40 KJBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl 409163546 TXSFAHSKJXFIKP-MYKKPKGFSA-N 655.041 4.736 5 40 KJBB 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CC(C)(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 35131350 KGLUTWIRTXAVGI-UHFFFAOYSA-N 509.676 4.720 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733387 HYHPIVYYFWGJSP-PLQXQRLBSA-N 580.018 4.629 5 40 KJBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409072431 NKIZOQBTZGEWLF-DKSCHZSNSA-N 551.371 4.543 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409274309 VOXDLEKJCGPDMW-MXAYSNPKSA-N 590.614 4.913 5 40 KJBB COc1cc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc(OC)c1OC 6136345 KKWMVJGTNNXSNB-UHFFFAOYSA-N 521.555 4.599 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccccc1Br 103001322 HOPCCGHPMKNYLE-BGABXYSRSA-N 549.425 4.835 5 40 KJBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 224683039 RAJIGWKHTXEMLB-DEOSSOPVSA-N 592.718 4.965 5 40 KJBB 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CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223460414 OGBJXNCTHMNTSZ-FUFSCUOVSA-N 594.734 4.532 5 40 KJBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OC 408566603 FRVPWIUCWMWSQX-SFHVURJKSA-N 511.373 4.995 5 40 KJBB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)cc1Cl 408645448 USTSOFQMWOZJAI-MRXNPFEDSA-N 533.924 4.624 5 40 KJBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)c2ccc(Br)cc2C1=O 408673899 XYVORPOMTKRPCZ-MRXNPFEDSA-N 578.375 4.733 5 40 KJBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc([N+](=O)[O-])c1O 408829782 QIGGROXTIVOKOV-ZDGAQAAHSA-N 546.004 4.595 5 40 KJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 409113901 OQMBCWCMQSGWRN-UHFFFAOYSA-N 503.964 4.708 5 40 KJBB Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409274780 XSKGBFDZVNTYQP-OYKKKHCWSA-N 531.546 4.840 5 40 KJBB 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CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4cc([N+](=O)[O-])ccc4O)c4sc(=S)[nH]c4S[C@H]3C2=O)cc1 248381167 SICVVHNLIJEGHR-JFIYKMOQSA-N 515.594 4.614 5 40 KJBB Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 260776227 JPYQEQZLEVFTID-HSZRJFAPSA-N 578.691 4.575 5 40 KJBB Cc1ccc(COc2ccc([C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Br)cc1 408563930 BNOYWARKQMEOGE-YLORPAJWSA-N 522.399 4.858 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408939857 INNVQTKZSHCRGQ-DKOMQPSQSA-N 600.436 4.892 5 40 KJBB CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)OC 70670164 XYWWMPMLCMSXER-WNMPRDKMSA-N 560.688 4.934 5 40 KJBB biogenic Cn1c(Sc2ccc([C@@H](Nc3ccccn3)n3nnc4ccccc43)cc2[N+](=O)[O-])nc2ccccc2c1=O 103763843 ADQBMTBQXCXFJA-VWLOTQADSA-N 536.577 4.792 5 40 KJBB COc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 224960436 WMNLBKGWUOKYEF-HHHXNRCGSA-N 549.599 4.820 5 40 KJBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 408647765 VNAHAYSXIYLXKH-XVSDVWIESA-N 518.353 4.563 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 409000111 MOJMYAKWSJRYBW-IGSWSUAKSA-N 594.443 4.729 5 40 KJBB CCCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16639175 NTDZSZKVIGJFGS-UHFFFAOYSA-N 510.538 4.629 5 40 KJBB Cc1ccc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2ccc(F)cc2)c1 100816756 QXOXUEINOMFMND-UHFFFAOYSA-N 548.600 4.901 5 40 KJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223638097 BBGYCVWFRQOPDA-MHZLTWQESA-N 596.706 4.521 5 40 KJBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408566077 MTGIBFHAPQTTMW-UYDITSSVSA-N 552.425 4.867 5 40 KJBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)nnc1-c1cccc(NC(C)=O)c1 408675402 XXDONCSVPVJZNJ-UHFFFAOYSA-N 504.366 4.569 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735228 OTLJANRHEFYXRW-ASZNLBCTSA-N 603.653 4.764 5 40 KJBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14278612 XGLATGLGWHWZQA-UHFFFAOYSA-N 508.538 4.879 5 40 KJBB O=C(Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1 29491204 CQMOOCQJBQHARY-UHFFFAOYSA-N 545.599 4.852 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408565714 LTQLVGAVEMXJIP-VAGHYTQDSA-N 538.398 4.605 5 40 KJBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408651211 NHQDEGPVOMDBCQ-DQEYMECFSA-N 632.423 4.768 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408992740 BKBHAQCYQSLEPM-KLKBWYFJSA-N 614.636 4.581 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccccc1Cl 409206106 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XMZKXHLIZFYKON-UHFFFAOYSA-N 542.371 4.747 5 40 KJBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 14405101 ICJTZWMCPBAMSD-UHFFFAOYSA-N 500.471 4.810 5 40 KJBB CCCn1/c(=N/C(=O)c2c(OCC)ccc3ccccc23)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101177174 WAFAIUSBVAQIHJ-QVAGMWBUSA-N 524.577 4.529 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccc(Cl)cc1Cl 103629508 ZEGONIXTGXHAEN-MKCFTUBBSA-N 547.398 4.922 5 40 KJBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 106727264 VOWKWCFFXMFFSY-BKUYFWCQSA-N 571.545 4.516 5 40 KJBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223187443 STVFFYPNWMWFCT-HKBQPEDESA-N 614.724 4.875 5 40 KJBB COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)s2)cc1 408710451 FLUKMYNRSOCMIT-UHFFFAOYSA-N 520.483 4.535 5 40 KJBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OS(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)c1 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540.605 4.574 5 40 KJBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)N4CCN(c5ccccc5)CC4)cc3c3ccnc2c31 70708396 KYRAEWBZDPEQCJ-FQEVSTJZSA-N 562.626 4.725 5 40 KJBB biogenic COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 102739120 XDJVBOVYZPVUFC-XPWALMASSA-N 544.347 4.970 5 40 KJBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 103017389 HDZUKDGBQXCCSG-UHFFFAOYSA-N 543.623 4.927 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)Cc1cccc2ccccc12 103629483 SLGZPNWCDVGWJA-LLZINOMRSA-N 542.595 4.697 5 40 KJBB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225729260 KVDOYLOVEPCJFG-MUUNZHRXSA-N 610.733 4.748 5 40 KJBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 261110372 XRVMVUJXZIRPBV-ZBLYBZFDSA-N 631.151 4.578 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 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COc1ccc(C2=N/C(=C/c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 408840939 DSJYQMGXYIZNKT-DEDYPNTBSA-N 523.295 4.930 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409149750 PJYBPHKOCAMKCD-WPWMEQJKSA-N 604.641 4.694 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409150396 BQHLISBWTUZZSJ-BKUYFWCQSA-N 520.523 4.774 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)o1 409399904 LYCTVYZEJOZNMZ-GRSHGNNSSA-N 546.319 4.953 5 40 KJBB CCn1nc([N+](=O)[O-])c2c(-c3nc4ccccc4n3Cc3ccccc3)c(N)n(Cc3ccccc3)c2c1=O 12600718 BEEAEGOQXFRGOJ-UHFFFAOYSA-N 519.565 4.822 5 40 KJBB CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1 97945614 BGBPHZQLVDBRGM-UHFFFAOYSA-N 532.597 4.745 5 40 KJBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223979463 MBXCWDRNZWGMMZ-AREMUKBSSA-N 505.640 4.994 5 40 KJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247307181 HHRJCHMGVPRDHW-LWSSLDFYSA-N 532.915 4.541 5 40 KJBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409011694 OETRGLKIOQKUMH-OTGIAGGSSA-N 535.372 4.924 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 103628084 FOTLPWMNGJBTTG-WKGAAENLSA-N 543.407 4.608 5 40 KJBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 150394677 USCGRZQKWJUSGF-UHFFFAOYSA-N 629.436 4.971 5 40 KJBB Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223808871 YZVYGZOIEDIQJO-QHCPKHFHSA-N 578.691 4.575 5 40 KJBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224581609 DIVUVRJUBLVDNG-JGCGQSQUSA-N 644.750 4.965 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 408569110 IWKTZACGPOSMPP-MMOZRLFVSA-N 511.937 4.635 5 40 KJBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Br)cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 408680847 HCWFNWJERSLVSK-QFIPXVFZSA-N 516.369 4.964 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408826819 LJWXTCUSWMMGPY-VZIOXZNFSA-N 600.491 4.565 5 40 KJBB O=C(Oc1coc(CSc2nnc(NC(=O)c3cccs3)s2)cc1=O)c1ccc(Cl)c([N+](=O)[O-])c1 101036573 VGJLPNYMGNHZMP-UHFFFAOYSA-N 550.983 4.878 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1c(-c2ccccc2Cl)noc1C 101492387 QDPRCTQDGAMCHS-QCKNELIISA-N 545.983 4.765 5 40 KJBB CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222754514 YWRVYXWRGNKGKC-LJQANCHMSA-N 511.600 4.547 5 40 KJBB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223798382 CQQLBULDWOGFSW-OAQYLSRUSA-N 617.124 4.704 5 40 KJBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223810701 IWSHOLFKKOBTOK-HHHXNRCGSA-N 584.670 4.653 5 40 KJBB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225414122 HSRXCDCCGRZJLX-DNQXCXABSA-N 535.607 4.798 5 40 KJBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408642224 MEVDOZUYEAUHCM-IHMJZKOGSA-N 586.557 4.957 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408944544 MTZVAENBOGTHHC-ZFWDJNJRSA-N 594.045 4.855 5 40 KJBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409244000 WCTAWRAQUUBIEZ-LPYMAVHISA-N 580.981 4.766 5 40 KJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cc(I)c(OCc2ccccc2)c(I)c1 409324390 SQFYYRJZDKSPKH-SREVYHEPSA-N 617.137 4.755 5 40 KJBB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 2095238 WWORIEMWFXTLBS-SANMLTNESA-N 513.571 4.750 5 40 KJBB biogenic COc1ccc(Br)cc1/C=C/C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16226453 FZOLBIGZIKBEQN-FARCUNLSSA-N 514.298 4.747 5 40 KJBB O=C(Oc1cccc2c(OC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cccc12)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 102103068 WYUQFZUXIPHMHY-UHFFFAOYSA-N 548.376 4.911 5 40 KJBB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2-c2ccccc2)c1 103000801 DWTWEUYJMYWIEP-UHFFFAOYSA-N 596.691 4.612 5 40 KJBB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 106709616 ADYGPYXSZXRKAN-UUYOSTAYSA-N 550.505 4.979 5 40 KJBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112231378 MGLKVEIPVASSME-UHFFFAOYSA-N 535.607 4.541 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224891389 YLVCMJZDGZUXAI-KRWDZBQOSA-N 615.536 4.542 5 40 KJBB COc1ccc(N(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225787551 URBFCBROCNVDCI-UHFFFAOYSA-N 574.040 4.918 5 40 KJBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408650214 LYWUWRSCOXKJAK-GQHLQYEBSA-N 599.983 4.515 5 40 KJBB O=c1/c(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)sc2nc3ccccc3n12 408889681 IXQAIFDZXYXAED-JMIUGGIZSA-N 539.323 4.828 5 40 KJBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21 408919225 VASMTHWCERVKOL-LQDNNDEMSA-N 505.324 4.507 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 409003185 YLIOMYPJKLHCFG-NKYAOSOXSA-N 617.705 4.583 5 40 KJBB CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409142287 XSTVJOFETVZVOK-NRFANRHFSA-N 622.489 4.977 5 40 KJBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 409184393 XVABJYVUWJRJKU-GSLIJJQTSA-N 510.502 4.831 5 40 KJBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 3112043 RSBSKTFXXNFZDK-UHFFFAOYSA-N 570.561 4.897 5 40 KJBB O=c1c2c(-c3ccc(Cl)cc3)csc2nc2c3ccccc3c(NCCCN3CCOCC3)nn12 21548820 GHNRUQJJIKAODM-UHFFFAOYSA-N 506.031 4.912 5 40 KJBB Cc1cc(I)ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33389632 SQYIKYQNWQTFJJ-UHFFFAOYSA-N 507.309 4.895 5 40 KJBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225511741 HPGODCSVWOZYHO-AREMUKBSSA-N 537.588 4.678 5 40 KJBB COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 260787171 KZOBWRMXJSPFAE-HSZRJFAPSA-N 608.717 4.665 5 40 KJBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408690031 ZLEFYKUUSOMJBG-FZDFQQAASA-N 574.549 4.953 5 40 KJBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 4122951 KPKJXWMEWJYKFX-UHFFFAOYSA-N 533.614 4.619 5 40 KJBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 8765810 VZJUIWQHVURDNQ-UHFFFAOYSA-N 508.508 4.862 5 40 KJBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccccc1[N+](=O)[O-] 59559015 RUNALJOSUYGYKR-UHFFFAOYSA-N 510.019 4.697 5 40 KJBB 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O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 102098900 VMVRCAUWDDNIQD-GZDPPATPSA-N 524.529 4.564 5 40 KJBB O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105316068 YECUGCFJBPZJMJ-UHFFFAOYSA-N 572.691 4.674 5 40 KJBB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223907753 UKJZUEOLOOQNQI-OAQYLSRUSA-N 661.575 4.813 5 40 KJBB Cc1c(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc(Br)c1Cl 408670199 YOYURCKJIFKQBW-UHFFFAOYSA-N 512.744 4.610 5 40 KJBB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 408679899 HISCNMHLKIICPH-RAWLKHAVSA-N 573.561 4.787 5 40 KJBB CC(C)C[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)OCc1ccccc1 8921152 DNQCNBOLIADMPP-QQNZBJPCSA-N 515.566 4.640 5 40 KJBB CCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 98005269 GTFJPILXYPXNTN-MHZLTWQESA-N 531.590 4.901 5 40 KJBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1ccc([N+](=O)[O-])cc1 100023467 OTFRDJXKKQGCFR-WTDSWWLTSA-N 539.285 4.798 5 40 KJBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n2)cc1OC 105306194 ZWFTXRCDSWLWET-UHFFFAOYSA-N 527.628 4.853 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223304708 ICUHKLIARXCWMV-QFQXNSOFSA-N 519.598 4.537 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408564420 CTLABGYQKZAMOA-MGCIBGGXSA-N 552.425 4.913 5 40 KJBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408644331 SNRGXZZPDAZVFF-CQSZACIVSA-N 554.342 4.969 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408984119 HYUVBGCSIOXSDR-SZYVSPPHSA-N 660.661 4.814 5 40 KJBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 9062415 KKABEBMLCRZBGS-UHFFFAOYSA-N 508.288 4.912 5 40 KJBB 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O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 139625722 LIEPHOZJWKQIHC-LWUPDDLQSA-N 544.430 4.989 5 40 KJBB Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224832442 VPNBLVPMVNTEBX-PMERELPUSA-N 606.745 4.677 5 40 KJBB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408544960 JWUMFABWOAZVTM-UHFFFAOYSA-N 557.847 4.699 5 40 KJBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)O)o1 408631115 CDMLNPDWCZZYAK-RZNTYIFUSA-N 528.724 4.993 5 40 KJBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1 409168439 MLKHEVRMZQZVQW-GOSISDBHSA-N 523.402 4.878 5 40 KJBB O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 4256519 LTRNFZXHKVRPNH-UHFFFAOYSA-N 572.529 4.831 5 40 KJBB CCCCOC(=O)c1ccc(-n2c(=O)c3ccc4c(=O)n(-c5ccc(C(=O)OCCCC)cc5)c(=O)c5ccc(c2=O)c3c45)cc1 6480718 XICNCPDTISTDGH-UHFFFAOYSA-N 618.642 4.958 5 40 KJBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 102096343 RDFBLFHZIOUACG-ZPZUNKDASA-N 512.518 4.708 5 40 KJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223413476 KHBNNQVERKFFMR-SANMLTNESA-N 584.670 4.651 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408955450 YEIYVDSUDLHHLJ-IZBTWGKQSA-N 600.436 4.892 5 40 KJBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 409101109 VIYADPTWPRQMFA-LPYMAVHISA-N 612.380 4.618 5 40 KJBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409195310 OIAAIGUXLJRIFD-AXLWCPOOSA-N 501.517 4.559 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)C2=O)o1 409400850 RJAVDYGWQNXLIN-NVMNQCDNSA-N 574.315 4.548 5 40 KJBB O=C(NCc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1[N+](=O)[O-] 2101040 GYAFLCUFHNDTQT-UHFFFAOYSA-N 503.298 4.670 5 40 KJBB 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5 40 KJBB COC(=O)c1c(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc2c1CCCC2 949455 NOPYBGDZQFYFSS-WXFUMESZSA-N 547.589 4.681 5 40 KJBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Br)cc2)cc1 1776143 RSYQEPNVCLJNCI-UHFFFAOYSA-N 500.334 4.845 5 40 KJBB COc1ccc(C(=O)OCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@H]2c2ccco2)cc1[N+](=O)[O-] 13148333 OFDSWZGCIWFWHE-VOSIASRASA-N 505.483 4.769 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 100062327 ZPEKNSKCMJPMMY-MGSPXPDISA-N 549.992 4.620 5 40 KJBB COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 103093708 ZIMJWYDDHDPVFS-UHFFFAOYSA-N 562.004 4.538 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225499209 PFAKEESUCWDDSC-QDPGVEIFSA-N 580.707 4.821 5 40 KJBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1O 408841824 HUNDNWNLSGZTEL-YXDQGSNCSA-N 590.455 4.704 5 40 KJBB 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521.345 4.536 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409102169 VAHQACZRMQXYPT-UQDCTOEPSA-N 637.114 4.942 5 40 KJBB Cc1c(C(/C=C/c2ccc([N+](=O)[O-])o2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C 829275 RYKLSNZDYMEBDT-BMRADRMJSA-N 525.565 4.629 5 40 KJBB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 1314236 LEZXTALPEUKNBI-XPNTWCBSSA-N 572.343 4.652 5 40 KJBB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2[C@@H](c3ccc(Cl)cc3)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 33354933 RGSGDSLPOXYJLD-OGOGVGGASA-N 650.069 4.953 5 40 KJBB CCCCn1/c(=N\C(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176559 DMGWTDFZXCZBOI-MDVFONAFSA-N 576.650 4.563 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 105496948 CFAXEPOGHSZJTG-UPWSPCOFSA-N 603.653 4.601 5 40 KJBB 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517.973 4.673 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)cc1 408821694 AEUNNXBEESPADI-FQKMCRJQSA-N 557.628 4.892 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409201918 RBPKEIYJKROVQR-QLPFJNHISA-N 514.556 4.951 5 40 KJBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 409277120 ZGIBQIYKXQPOAT-WSDLNYQXSA-N 550.505 4.979 5 40 KJBB CCOP(=O)(OCC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCCc1ccc(OC)c(OC)c1 8868902 ORZUGCXNAMRSJK-UHFFFAOYSA-N 505.464 4.813 5 40 KJBB Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C(=O)C3(Cc4cc([N+](=O)[O-])ccc4N4CCC[C@@H]43)C2=O)cc1 9012296 YBKHWHLTXHRHOK-RUZDIDTESA-N 510.550 4.923 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225754321 KXMCMJNLAZBXFT-SKCUWOTOSA-N 596.706 4.521 5 40 KJBB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(Cl)c2)cc1 408627266 YXJIIDFTPFBMPG-UHFFFAOYSA-N 519.963 4.774 5 40 KJBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 409182172 IQTCCUPAVDLIKX-MZKUHISZSA-N 510.502 4.831 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4cccc(C)c4)c([N+](=O)[O-])c3)C2=O)o1 409398355 DDYOAQJJJWFHGX-GRSHGNNSSA-N 570.352 4.717 5 40 KJBB O=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3ccc([N+](=O)[O-])cc3)C4=O)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 4018652 JZPAOFNQAOLKAF-UHFFFAOYSA-N 534.440 4.771 5 40 KJBB O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 9391212 NVUGFBSYFMKWMG-JOCHJYFZSA-N 500.964 4.811 5 40 KJBB biogenic COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 11565575 CRSKWAIHHLBCEO-UHFFFAOYSA-N 508.508 4.780 5 40 KJBB CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 12311410 DXAWNOMZKTXIIY-UHFFFAOYSA-N 506.540 4.850 5 40 KJBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 59331447 HRXJKOXSKKETLZ-UHFFFAOYSA-N 517.567 4.675 5 40 KJBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223884187 PEXAKOJWCHWRPH-JOCHJYFZSA-N 587.526 4.700 5 40 KJBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260913946 GATFNYWAVFWRFV-ZEQRLZLVSA-N 610.733 4.748 5 40 KJBB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260993634 QLHWMDNPCHTIAR-GIGWZHCTSA-N 624.760 4.872 5 40 KJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1cc(Br)ccc1OCc1ccccc1F 408571648 PJSLXCMBAYNLDS-RTFLAGNKSA-N 526.362 4.735 5 40 KJBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)c2)c1 408686810 TULVIQRETNXVBA-UDPYREPESA-N 603.587 4.796 5 40 KJBB COc1cc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc(OC)c1OC 409195291 TYRJDHOIJVBVHU-AROKFOENSA-N 530.489 4.584 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409206289 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C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1 408566214 FBYHAAWBEZSRGR-RTFLAGNKSA-N 526.362 4.735 5 40 KJBB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)c4)c3)C(=O)[C@H]2C1 408687743 VJAZTWAPFJIYOD-UIOOFZCWSA-N 567.554 4.733 5 40 KJBB O=C(O)[C@@H]1CS[C@@H](c2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)c([N+](=O)[O-])c2)N1 408991929 PFFKNCGDBSYYJX-UWJYYQICSA-N 564.626 4.945 5 40 KJBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409098792 PNUKLOVFUBLFLN-RTOMEVGKSA-N 638.127 4.704 5 40 KJBB Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409126889 CIKXWJFPRVBASC-HXUWFJFHSA-N 575.489 4.961 5 40 KJBB CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccc(SC)cc2)cc1 409135209 XQEIDUBOKURABS-UHFFFAOYSA-N 531.612 4.558 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1ccc(F)cc1 8400119 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O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)N1CCN(c2ccccc2)CC1 409206897 MZTLFNWFMVEGNX-ITYLOYPMSA-N 558.616 4.559 5 40 KJBB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC 101672786 TXOPZUAEOPGLDM-OARDWFSCSA-N 555.543 4.825 5 40 KJBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261078556 QYDVAPQJFMUNQZ-YADHBBJMSA-N 614.696 4.578 5 40 KJBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)O)n[nH]2)c1 408631586 FTMJAMGZWICOCU-MTJSOVHGSA-N 524.511 4.884 5 40 KJBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)c1 409102856 FIRQNTJKXFAQIH-RYOBIWAXSA-N 636.715 4.732 5 40 KJBB COCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409134422 SMJHIPZVKYHRQK-VXLYETTFSA-N 523.361 4.628 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(Cl)cc3Cl)C2=O)o1 409399557 JWYKBGYHAGUJAZ-OCKHKDLRSA-N 546.319 4.953 5 40 KJBB COc1cccc(C2=NN(CN3C(=O)C(=O)c4cc(Br)ccc43)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 97977149 FGCCPMBZPDUIFW-QHCPKHFHSA-N 535.354 4.704 5 40 KJBB COc1cc(NC(=O)COC(=O)c2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)c(C)cc1[N+](=O)[O-] 103137469 AJECPWJYEBXJAZ-UHFFFAOYSA-N 539.500 4.661 5 40 KJBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3O)nc2c1 112228737 PNMKDYQAJFCZOZ-UHFFFAOYSA-N 547.593 4.634 5 40 KJBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408669826 XFONGMJSYITGSQ-MWWUWEJHSA-N 536.371 4.515 5 40 KJBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 408688436 WRGSGOVWNPDMNS-RCVNQITKSA-N 517.497 4.844 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408954525 XOXSSFWZKUQXHU-VVNKCDPRSA-N 580.018 4.547 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Br)cc1 409000036 MFQQFDTZAWVEMF-YMSBRDKKSA-N 594.443 4.729 5 40 KJBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)ccc1Cl 409171540 DENUFXNPNBVPJU-YBFXNURJSA-N 517.947 4.880 5 40 KJBB Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1 409276260 ZPPKVYJGLFSDMM-ZVHZXABRSA-N 531.546 4.840 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)ccc3O)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 409337163 YGYFLPPZMQMNNU-VPVLBGOXSA-N 671.469 4.585 5 40 KJBB CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)Nc4cccc5ccccc45)n32)CO1 9344984 NFPASLVSFWELEN-UHFFFAOYSA-N 515.624 4.722 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 100062332 ZPEKNSKCMJPMMY-XPCGLTFESA-N 549.992 4.620 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)Cc1ccc(-c2ccccc2)cc1 103629923 UIFMOOFIZSARDQ-JSLDZMDGSA-N 558.594 4.804 5 40 KJBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OC 408570859 MARYFVUQKOQXGS-FQEVSTJZSA-N 523.409 4.864 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408615208 NJNVKSGPHJVAAB-UHFFFAOYSA-N 524.039 4.990 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409084282 CKHQUKMJTWUZMS-LCQSEVKBSA-N 637.114 4.942 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc2c(c1)OCCO2 409201816 YKUCQQKJRPSLTD-SRZZPIQSSA-N 541.925 4.954 5 40 KJBB O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12)N1CC=C(c2c[nH]c3ccccc23)CC1 1547138153 FVXYKCXTFWPEAO-UTODESDUSA-N 561.642 4.718 5 40 KJBB COc1ccc(C(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN23)cc1 9428732 QKOKFEDFPJKHSQ-MOUTVQLLSA-N 506.356 4.843 5 40 KJBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 100966019 WOKZCSUWNAFMOO-LAJGZZDBSA-N 530.540 4.777 5 40 KJBB CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OCC)c4)[C@@H]3C2=O)cc1 101673018 GTUXVSNIMFGURM-ARNLJNQMSA-N 598.406 4.911 5 40 KJBB Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)c1 8684764 CMXSKKNGQCLKBA-GOSISDBHSA-N 511.556 4.505 5 40 KJBB aggregator O=C(C[C@@H](NC(=O)c1cccc2c([N+](=O)[O-])cccc12)C(=O)OCc1ccccc1)OCc1ccccc1 14921814 DYVBONGVSDFCLD-RUZDIDTESA-N 512.518 4.723 5 40 KJBB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101672085 DIGVXCALHFPCKR-GIWBLDEGSA-N 572.343 4.652 5 40 KJBB O=C(Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 106740396 MKJKDNJGBPABQE-NKVSQWTQSA-N 550.461 4.867 5 40 KJBB COc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 223681595 MOARNKPQDCDFJJ-UHFFFAOYSA-N 555.653 4.600 5 40 KJBB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)[C@H]2C1 408675725 BYGLEKOVZSRVBS-NOZRDPDXSA-N 567.554 4.733 5 40 KJBB O=C(COC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 408739123 XWUCIQGXFKGEPR-HHHXNRCGSA-N 567.554 4.789 5 40 KJBB CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1[N+](=O)[O-] 408828298 JLSGRAMUHSIGOU-PETIARSGSA-N 718.888 4.607 5 40 KJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 3244492 ZYMLXCKKUQPZEQ-UHFFFAOYSA-N 579.659 4.676 5 40 KJBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1Cl 96022746 FZTVPDXXTDKQIP-UHFFFAOYSA-N 618.078 4.993 5 40 KJBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 223803979 RFACNACCMFPNFY-DEOSSOPVSA-N 622.744 4.892 5 40 KJBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1NC(C)=O 225327033 QDVCOCXTGLESFS-FTJBHMTQSA-N 528.594 4.925 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cccc(OC)c1 408928018 ULHMDFMUTHPKGQ-PNZYDNNZSA-N 580.018 4.629 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 409100524 UEKQBYAOMUNYCB-VXBWEVHPSA-N 681.752 4.808 5 40 KJBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409206790 PXJPTLBAMOVUEW-MTJSOVHGSA-N 538.513 4.995 5 40 KJBB COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1OC 20411990 SABWTRXOBIGKGM-UHFFFAOYSA-N 504.499 4.509 5 40 KJBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 101140655 MVVUCYSGHSHJGA-FSRJSHLRSA-N 514.626 4.829 5 40 KJBB COc1cc(OC)cc(-c2nc(S/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCCCC3)C(=O)O)n[nH]2)c1 408632808 KPPUSVRJCODTLT-HYARGMPZSA-N 525.587 4.995 5 40 KJBB COc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1 408751136 WYDGEUWNFNZNPJ-UHFFFAOYSA-N 538.563 4.894 5 40 KJBB CC1(C)CCc2c(cc(OCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)c3c(-c4ccccc4)cc(=O)oc23)O1 888090160 FWEXGUHNFRRNJF-CTNGQTDRSA-N 597.624 4.658 5 40 KJBB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225025211 LZJILGLWWNJDSN-OAQYLSRUSA-N 647.150 4.713 5 40 KJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN12 408564733 FNFMNONSIKTJHT-TUPPOGIXSA-N 579.407 4.991 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc2c(c1)OCO2 409163844 YPCYIMUAIRYYGV-FOKLQQMPSA-N 533.518 4.578 5 40 KJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cc(I)cc(I)c1OCc1ccccc1 409311947 IDRRSVDVHFYPKE-SREVYHEPSA-N 617.137 4.755 5 40 KJBB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br 1314469 KTGJPNGCODAZTE-VABKMULXSA-N 538.354 4.725 5 40 KJBB O=[N+]([O-])c1ccc(S(=O)(=O)n2c(Sc3ncccc3[N+](=O)[O-])nc3cc(Cl)c(Cl)cc32)cc1 4235675 GSOSLSWERQTMRN-UHFFFAOYSA-N 526.339 4.943 5 40 KJBB biogenic CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1c1nc2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2n1 27024267 NTKRVCDIDRYVEK-BFABYBEPSA-N 503.367 4.926 5 40 KJBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2[N+](=O)[O-])C1 103091274 JGVYMHKHWHNANX-KBPBESRZSA-N 524.452 4.800 5 40 KJBB Cc1ccc(COc2ccc([C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Br)cc1 408563927 BNOYWARKQMEOGE-VFHOHQAYSA-N 522.399 4.858 5 40 KJBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1OCC 408933363 IVYFDTIRPXWINC-WQVUUJHJSA-N 680.135 4.965 5 40 KJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)cc2)c(C)c1 59886379 XZDFBEGLCHZSST-UHFFFAOYSA-N 594.671 4.846 5 40 KJBB Cc1nn(Cc2c(C(=O)Nc3c(Br)cc(F)cc3Br)noc2C)c(C)c1[N+](=O)[O-] 97945547 FAQMQEKFUDXYBK-UHFFFAOYSA-N 531.136 4.669 5 40 KJBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]2C1=O 100875057 XVJOAUBMQQEVCZ-LIONHTAISA-N 528.952 4.711 5 40 KJBB O=C(O)CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)c2sc(=S)[nH]c2S[C@H]31 101025427 MDBVAAJZKJOXDA-AFWONKAMSA-N 559.691 4.832 5 40 KJBB COc1ccc(OC)c(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 103053732 LXBPBXRPWDZIGR-UHFFFAOYSA-N 584.832 4.862 5 40 KJBB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCCc1ccc(F)cc1 103053770 ODNDUSJRLIWTIF-UHFFFAOYSA-N 559.925 4.960 5 40 KJBB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222762602 QPPSIECUCOVWRE-QHCPKHFHSA-N 610.733 4.748 5 40 KJBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 408672762 WPHAIPYVNRCOPS-UHFFFAOYSA-N 517.844 4.566 5 40 KJBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)cc1OCC 408932253 BRJTYNQQLHTZJU-WQVUUJHJSA-N 741.560 4.907 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032112 IICBZVVXSQTDSY-ZGGSADGGSA-N 724.792 4.968 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1ccc(F)cc1 409106002 PWFAJMBWMLJTLF-UJVJZFQOSA-N 669.716 4.938 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409201128 NWBOLXCOMHRPLZ-BHGWPJFGSA-N 608.541 4.750 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 409276902 XVGWBXBNHKASPA-GKTKDVHMSA-N 685.597 4.723 5 40 KJBB Cc1cccc(NS(=O)(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])c5c([N+](=O)[O-])ccc(c45)C3=O)cc2)c1 2053204 WGTUWOYKLISQQK-UHFFFAOYSA-N 532.490 4.566 5 40 KJBB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)cc1[N+](=O)[O-] 8922951 DWNJGAPAOLKPAV-DEOSSOPVSA-N 501.322 4.918 5 40 KJBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O 8969821 KJJSEYOOWMMQIN-VPBXCIAMSA-N 513.937 4.955 5 40 KJBB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2Cl)CC1 57314101 VSXVRRLDTSAEKV-UHFFFAOYSA-N 514.026 4.795 5 40 KJBB CC(C)C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 102020226 IJGGTWQIFAZJRY-UZNKMTRFSA-N 552.583 4.628 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)C2=O)o1 409401932 UMKQDPRXTOXKCZ-WSVATBPTSA-N 576.345 4.962 5 40 KJBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)nc2c31 70708150 YREGIMPPOBPMNW-UHFFFAOYSA-N 536.563 4.711 5 40 KJBB biogenic O=c1/c(=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 102660310 ICCCAQWZUKACRU-XOBACGFXSA-N 605.426 4.603 5 40 KJBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408567836 RVEXVXTYUPBGQW-UMDVNSCSSA-N 517.557 4.858 5 40 KJBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408569712 XDGGIHRXLRKHIG-GJECAEJISA-N 538.398 4.559 5 40 KJBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 408595112 TXBLKNCPYKSIEQ-UHFFFAOYSA-N 523.489 4.765 5 40 KJBB Cc1oc2cc(OC(=O)[C@@H](C)NC(=O)OCc3ccccc3)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 1050492 DZUIYBLJFPYHFE-MRXNPFEDSA-N 502.479 4.897 5 40 KJBB O=C(COC(=O)c1ccccc1N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)Nc1cccc(Cl)c1 3372553 ODWGNJCBOKFLKF-UHFFFAOYSA-N 529.892 4.998 5 40 KJBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)N1CCN(c2ccccc2)CC1 8792246 SWXQGSBMPBAZNK-FQEVSTJZSA-N 502.574 4.708 5 40 KJBB biogenic O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 9391211 NVUGFBSYFMKWMG-QFIPXVFZSA-N 500.964 4.811 5 40 KJBB biogenic O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22844148 OSANUOXBZYBHLX-UHFFFAOYSA-N 519.608 4.835 5 40 KJBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 102511317 PGORHJJBYYEFID-RWBPATOOSA-N 524.529 4.564 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223621760 PGWRNYHKIBAQOG-KDYSTLNUSA-N 601.125 4.569 5 40 KJBB C[C@H](CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 224937918 GQSGOWPIEIOSHA-QGZVFWFLSA-N 501.992 4.748 5 40 KJBB CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)cc1 248137648 APSRNAYXLDSNQB-UNFRKHOWSA-N 565.582 4.824 5 40 KJBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260890428 KWQUSZKGWQPWDW-XMMPIXPASA-N 610.733 4.605 5 40 KJBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409064784 GEKGBKQQNRGJPI-DTQASYIRSA-N 694.241 4.981 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409100908 VYBNWLZRVBEMLD-UQDCTOEPSA-N 637.114 4.942 5 40 KJBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)cc([N+](=O)[O-])c1C 409193500 DTYPDIVPKASUKU-PCLIKHOPSA-N 546.605 4.857 5 40 KJBB CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103060107 LIERJMZVQAFQEB-QVKFZJNVSA-N 536.050 4.968 5 40 KJBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)cc([N+](=O)[O-])c5O)c(=O)n42)c2ccccc2CC3)cc1 104656972 SCSVYKUBRHAUMI-VVNKCDPRSA-N 590.455 4.704 5 40 KJBB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 105990204 LEZXTALPEUKNBI-FUPPJEDESA-N 572.343 4.652 5 40 KJBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225366695 DHEIRHJYNVDMCW-HHHXNRCGSA-N 533.625 4.847 5 40 KJBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@H]1c1cccc([N+](=O)[O-])c1 408729825 DLMQGHPYZSOUSH-PKYOQBLNSA-N 599.665 4.793 5 40 KJBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1Br 1858394 SKVBXIWMAIGZMP-UHFFFAOYSA-N 507.391 4.925 5 40 KJBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2262367 RYMFSDHYFBIMHT-UHFFFAOYSA-N 503.562 4.877 5 40 KJBB COc1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1Cn1cc([N+](=O)[O-])cn1 102403944 UWCPSEMXBPIRSW-UHFFFAOYSA-N 567.510 4.652 5 40 KJBB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1 103934046 BAUYEKVVFRABRT-ONEGZZNKSA-N 531.113 4.697 5 40 KJBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223812976 MCFNUJRKPPAPOM-MUUNZHRXSA-N 628.723 4.970 5 40 KJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260987129 PFAKEESUCWDDSC-LXFBAYGMSA-N 580.707 4.821 5 40 KJBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408685662 PSJUMIFYQBDFQS-UHFFFAOYSA-N 515.265 4.663 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409106668 SGKRIYGRTILKMF-QTTRZTASSA-N 607.088 4.934 5 40 KJBB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409206600 XYCATDORBFXQHN-DJKKODMXSA-N 501.473 4.531 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(SC)cc1 2683554 RHAYIGYRGSMNCH-GJFKPFFXSA-N 561.641 4.688 5 40 KJBB CCOc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc(OCC)c1OCC 22835451 UIJHWZGTBWFUKH-UHFFFAOYSA-N 511.497 4.772 5 40 KJBB COCCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccccc3)s2)cc2c(=O)n3ccccc3nc21 101349451 CMUSQLYLUBTAMY-UHFFFAOYSA-N 554.657 4.879 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1c(F)cccc1Cl 102921456 BENFPEFFABWSBB-QFMPWRQOSA-N 522.964 4.865 5 40 KJBB CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103060109 LIERJMZVQAFQEB-BTYIYWSLSA-N 536.050 4.968 5 40 KJBB O=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 150397802 COIJJRNHEBKYMP-UHFFFAOYSA-N 636.511 4.657 5 40 KJBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225711733 XEDRVUMVOOUSAN-QGZVFWFLSA-N 522.465 4.780 5 40 KJBB CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408566340 NPUUAULHYXVJMM-JHMXWDHMSA-N 508.372 4.550 5 40 KJBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408566793 OTPPZXPLJBHXJD-VPHKFGTKSA-N 526.362 4.689 5 40 KJBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408649434 YEPVUZRMKZKFPU-UHFFFAOYSA-N 628.937 4.912 5 40 KJBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 408688438 WRGSGOVWNPDMNS-URFMBUMFSA-N 517.497 4.844 5 40 KJBB COc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 409004241 OTJKTFOJCLICQP-GRSHGNNSSA-N 508.870 4.829 5 40 KJBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 409090902 NMDLYEKAROVLFO-ACJNQYEBSA-N 591.649 4.581 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1cccs1 409101479 YLIMXQNVFCEPFM-CVMWMZFYSA-N 627.729 4.847 5 40 KJBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCCCC1 409376496 YNJKJDZJUXRQBV-BKUYFWCQSA-N 560.426 4.985 5 40 KJBB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] 105305479 OWGMJXGBJBVVSP-UHFFFAOYSA-N 523.590 4.909 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224659225 QOAMDQAOPIGHPJ-FQEVSTJZSA-N 635.114 4.842 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260992808 OCRZFKFWZPDOMH-MUUNZHRXSA-N 687.613 4.831 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408568365 UALJGRPQEHCHEL-RIJWZPFJSA-N 509.562 4.996 5 40 KJBB COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]23)cc1 408729210 ALUXWNCZSNGEEB-OAHAWELDSA-N 524.529 4.742 5 40 KJBB CCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409095039 AZJHXVGRTIMCLG-LICLKQGHSA-N 540.335 4.843 5 40 KJBB CCOC(=O)c1c(NC(C)=O)sc2c(OCC(=O)c3ccc([N+](=O)[O-])cc3)c(Br)ccc12 2075295 KHMOLMGINZXGDF-UHFFFAOYSA-N 521.345 4.969 5 40 KJBB Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 8833169 APYANJNLQWXCKC-UHFFFAOYSA-N 515.599 4.673 5 40 KJBB COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)(C)CN(C)Cc2ccccc2)[C@@H]1c1cc([N+](=O)[O-])ccc1F 40454300 MUNSLZPCNUVWCH-AREMUKBSSA-N 539.604 4.843 5 40 KJBB in-man O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105314408 FCRPAZQRLWPLGQ-UHFFFAOYSA-N 521.990 4.709 5 40 KJBB COc1ccc(N(CC(=O)NCCSCc2ccccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 106185610 NWGWKLBINQRFAM-UHFFFAOYSA-N 564.085 4.810 5 40 KJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223569746 GRDYWFNWVVYDJO-NRFANRHFSA-N 587.526 4.698 5 40 KJBB 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KDDSNBRWHBVEJK-OUTSHDOLSA-N 594.734 4.532 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408549850 AFRARTSQAXNDGB-FYJGNVAPSA-N 590.452 4.994 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409373263 GJBAORFJKYVXSU-UCQKPKSFSA-N 611.654 4.971 5 40 KJBB COc1ccc([C@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@]32c2ccc([N+](=O)[O-])cc2)cc1 9108861 TUWUSSJXODWDSL-ZKKGZRQESA-N 521.529 4.976 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 163637528 MBHUBSSMTULFLP-QQMBNGEASA-N 659.717 4.701 5 40 KJBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NS(C)(=O)=O 225443298 VOBKWSGTIHIXQF-RPBOFIJWSA-N 565.633 4.807 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769973 RHBKJIRKAWGUAJ-HWMKKPCCSA-N 758.625 4.562 5 40 KJBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n[nH]1 409156736 SZVHOJMFWCZTEF-FQEVSTJZSA-N 537.627 4.694 5 40 KJBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)cc2)cc1[N+](=O)[O-] 409346668 KYEQBIYSMJOWNM-UUYOSTAYSA-N 679.470 4.951 5 40 KJBB O=c1c2ccc3c4ccc5c(=O)n(-c6ccncc6)c(=O)c6ccc(c7ccc(c(=O)n1-c1ccncc1)c2c37)c4c56 100115220 FNHCNEJUZBOMQQ-UHFFFAOYSA-N 544.526 4.731 5 40 KJBB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 102077515 WCBVQLKHOIBRDE-LHOCTXBYSA-N 592.604 4.777 5 40 KJBB O=C(CSc1ncccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(OC(F)(F)F)cc1 215713853 QZBTYGRALWLCGR-UHFFFAOYSA-N 535.456 4.659 5 40 KJBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224535732 MPHXQMLTHWYOGO-LJAQVGFWSA-N 608.717 4.665 5 40 KJBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NS(C)(=O)=O 225490622 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KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409096166 CQEVREXMSVAMHE-BFOKUZPWSA-N 681.752 4.802 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409104568 JUKBATCCHWJQBR-CBPRFPNYSA-N 625.751 4.774 5 40 KJBB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409136422 UNIWLDDDYCXVAT-QFIPXVFZSA-N 510.620 4.681 5 40 KJBB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n[nH]1 409171171 YKNVCSDJQZLHEL-SFHVURJKSA-N 539.401 4.583 5 40 KJBB O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 32640680 PXVVLRIAQSOASU-WBVHZDCISA-N 505.927 4.542 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 44802973 QXFUIOBDTOAXLB-UHFFFAOYSA-N 503.964 4.708 5 40 KJBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc([C@H]5CCCN(S(=O)(=O)c6ccccc6)C5)nc34)c12 98046193 LAROHTPUVOPKJC-AWEZNQCLSA-N 532.573 4.783 5 40 KJBB O=C(Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100353277 LBDDEUKJIQYSFY-UHFFFAOYSA-N 577.212 4.520 5 40 KJBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100389583 QWYJMELMARWNQQ-UHFFFAOYSA-N 519.568 4.765 5 40 KJBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCO2 103113605 MHRIKBWYFIASEG-UHFFFAOYSA-N 538.365 4.507 5 40 KJBB COc1cc(OC)cc(-c2nc(S/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)C(=O)O)n[nH]2)c1 408634935 YDSCIMCWWRWAJG-FYJGNVAPSA-N 511.560 4.605 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032382 IUYZMYORUFNJBU-DVUZPASPSA-N 682.107 4.570 5 40 KJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(I)cc1 409339156 SJPVUQYGESEOCF-NVNXTCNLSA-N 543.726 4.528 5 40 KJBB COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20239393 NSDGFFOKQUYAFY-UHFFFAOYSA-N 503.964 4.708 5 40 KJBB C[C@@H](OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1ccccc1 97947932 SCBLMMQPTCMCGO-LJQANCHMSA-N 546.532 4.558 5 40 KJBB COc1cc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 103003584 IPLRMXKOZDJSAJ-VXLYETTFSA-N 573.377 4.787 5 40 KJBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 105295662 HLOAZCNZXXAMSR-HDOKVFJDSA-N 531.606 4.878 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223212837 YFJRWEOTQPBOPI-LEWJYISDSA-N 631.549 4.885 5 40 KJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247291183 BAESHRZXCGUVQV-YEFZPTPHSA-N 542.551 4.972 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4ccccc4n3Cc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 8401405 LWJICDYESHWOOU-JLHDDXNDSA-N 608.676 4.718 5 40 KJBB O=c1cc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c2c(ccc3ccccc32)o1 21486427 CXWAZHOUKIVRAA-UHFFFAOYSA-N 503.407 4.760 5 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O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 103540072 AWAVSSVWQXYSBA-NEWJYFPISA-N 548.477 4.768 5 40 KJBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c2=O)=N1 164176832 PRESQIWLXLXIBJ-PKYOQBLNSA-N 633.679 4.773 5 40 KJBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224478207 LVGJQHSOEBSAHH-AREMUKBSSA-N 651.569 4.843 5 40 KJBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408683322 LCTXQHBXTMQSPR-QYVZARNFSA-N 574.549 4.953 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 408826199 SYNUGVVUNSORAM-ZRELAVNMSA-N 620.909 4.910 5 40 KJBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1 409088410 LPAAIZBJRYSZTE-LPYMAVHISA-N 565.380 4.776 5 40 KJBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)ccc1Cl 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COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 408576092 XHHHLULBDFPSAX-RRHKGSKTSA-N 556.388 4.744 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735619 VBMMWXLIYTZANS-PKYOQBLNSA-N 633.679 4.773 5 40 KJBB COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 408918460 KTIRJQOGEYQCRB-LQDNNDEMSA-N 505.324 4.507 5 40 KJBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1 409033550 FOOUOCSOFPKWJU-UQDCTOEPSA-N 603.653 4.762 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccccc1OC 409093557 AQAVPINBEVCXIX-RAWKODRKSA-N 612.708 4.599 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409350104 XFRXEUNDWQLQNS-FMCGGJTJSA-N 709.496 4.959 5 40 KJBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 102893272 NACQJOHCJVBLGN-FCEKVYKBSA-N 565.538 4.874 5 40 KJBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224916258 MGPZTHQBZRFZHD-KRWDZBQOSA-N 585.510 4.534 5 40 KJBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 225598209 BANSWPLCJQNMDW-FTJBHMTQSA-N 530.585 4.921 5 40 KJBB O=C(c1ccccc1)c1ccc(OC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)cc1 229916878 PDTKWHWUXPKTSO-ZXYZSCNASA-N 585.572 4.821 5 40 KJBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408564915 GKGDPRJAPXPMLT-YLORPAJWSA-N 538.398 4.559 5 40 KJBB COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]32)cc1 408729204 ALUXWNCZSNGEEB-BECWTDFISA-N 524.529 4.742 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)S(C)(=O)=O 409411784 ZSOXQOCTGTWTKV-UHFFFAOYSA-N 513.616 4.548 5 40 KJBB Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c1 1898595 FIXGWXNWRWCBJM-FCEKVYKBSA-N 585.594 4.722 5 40 KJBB O=C1[C@H]2N=NN(CC(=O)N3N=C4/C(=C/c5ccccc5)CCC[C@@H]4[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 8454653 FIZYTWPEXXGMMQ-MYBIMDJUSA-N 589.612 4.711 5 40 KJBB O=[N+]([O-])c1ccc(N[C@@H]2[C@@H](OCc3ccccc3)O[C@H]3CC[C@H](c4ccccc4)O[C@H]3[C@H]2O)c([N+](=O)[O-])c1 37246244 GIRHRWPWQOZPND-GUWNOZFNSA-N 521.526 4.506 5 40 KJBB CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)cc1 145773847 ZHFRNWVFBMVILJ-KRWDZBQOSA-N 595.707 4.532 5 40 KJBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224742831 WEZBMGZGSGWBRR-WJOKGBTCSA-N 614.724 4.955 5 40 KJBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261017904 VSYVUWHRDHHMMU-FIPFOOKPSA-N 580.707 4.821 5 40 KJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c1)[C@@H]1CCCN12 408570024 YDRUWFYXFRJNPI-UQBYDPJISA-N 579.407 4.991 5 40 KJBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(OCC)c(O)c([N+](=O)[O-])c3)C2=O)ccc1Cl 409160129 SRIQGKGGRHECCK-GRSHGNNSSA-N 563.972 4.594 5 40 KJBB COC(=O)[C@H](Cc1ccc(Cl)cc1Cl)Sc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 12274166 GSWDFBUOACIXFW-HNNXBMFYSA-N 513.384 4.882 5 40 KJBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1Cl 16384663 NWERLQHDDFLLQT-UHFFFAOYSA-N 507.321 4.757 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 100306927 IBLNUUBDXWIUJJ-PYCBVSLESA-N 629.691 4.693 5 40 KJBB CCCCC1CCC(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2Cc2ccco2)CC1 103628936 VSYRBHLUUWDDGI-MXNGAVTRSA-N 530.625 4.891 5 40 KJBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 261054423 MMQSNBYCBCVARF-OUTSHDOLSA-N 594.734 4.532 5 40 KJBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 408646732 UHGQGOMQKHABII-OMWUSAIZSA-N 518.353 4.563 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408754677 XADAJIGOJJZHMY-MFUBYVTQSA-N 549.992 4.538 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408826339 GHAOBVRIBNBREA-CBYYHRJHSA-N 579.631 4.828 5 40 KJBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccc(Cl)cc1 2093541 KIUNWIKMKZTTRS-OZXSUGGESA-N 500.942 4.615 5 40 KJBB biogenic Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccc(Br)cc2)cccc1[N+](=O)[O-] 11852250 PUQADVSJEWJRPV-UHFFFAOYSA-N 607.490 4.858 5 40 KJBB COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)cc1[N+](=O)[O-] 16284526 GTKYYEVOXCGONU-UHFFFAOYSA-N 512.551 4.926 5 40 KJBB O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)c2sc(=O)[nH]c2S[C@H]31 150412778 GHZYGODOLPWVJC-SPGVQWEOSA-N 642.111 4.525 5 40 KJBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 222978618 SPEYYODNPLRZLS-CQSZACIVSA-N 512.390 4.621 5 40 KJBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 408644572 HANIWYBVWLYIRV-UDPYREPESA-N 587.588 4.736 5 40 KJBB Cc1cccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)N=C(c2ccc([N+](=O)[O-])cc2)CS4)c1C 9969324 WIZVJRHDOLHIMI-UHFFFAOYSA-N 505.581 4.902 5 40 KJBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)Nc4ccc(NC(C)=O)cc4)cc3c3ccnc2c31 70708045 XNUPDBTXULRSTE-INIZCTEOSA-N 550.571 4.974 5 40 KJBB biogenic COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 100819048 ODFRYYGVHGNSQT-QHCPKHFHSA-N 540.956 4.871 5 40 KJBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223462076 HCSWMUMJTXUTJC-PMERELPUSA-N 618.687 4.705 5 40 KJBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl 408595196 UGNIIWIAVRAPHM-UHFFFAOYSA-N 533.990 4.716 5 40 KJBB CCOc1cc(/C=C2\N=C(c3cccc(OC)c3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409194149 OJBKVNFAJQDOGT-NHGLXRKWSA-N 514.490 4.965 5 40 KJBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)o1 409275147 ZCHXNZYTVCVFDG-SRZZPIQSSA-N 509.452 4.691 5 40 KJBB Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 1471314 GBEGEOTZJXPHEB-LJQANCHMSA-N 521.020 4.706 5 40 KJBB O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCC1 20153357 BAOQTSPWOLPWEH-UHFFFAOYSA-N 500.964 4.728 5 40 KJBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCOCC1 102985894 QFAFEIHRBHLIOX-UHFFFAOYSA-N 531.978 4.530 5 40 KJBB O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 215819717 BLGORNKTXNHVCJ-HKOYGPOVSA-N 500.536 4.970 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222574248 NVSGTBKAVZMKQN-NEKDWFFYSA-N 580.707 4.555 5 40 KJBB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 224849412 KDERUBJSGHIYAH-RPBOFIJWSA-N 501.568 4.975 5 40 KJBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408642226 MEVDOZUYEAUHCM-LROUJFHJSA-N 586.557 4.957 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735623 VBMMWXLIYTZANS-USDTVRPUSA-N 633.679 4.773 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408830252 PAKZYAKVORCQLS-JLHDDXNDSA-N 613.692 4.993 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC 409095530 HTWCUBLUVRVMPU-ASUJOLEISA-N 642.734 4.608 5 40 KJBB CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)c([N+](=O)[O-])c1 12588505 KAKWFFOZZRGCJV-UHFFFAOYSA-N 512.494 4.702 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408766086 OMLITLNYBQBDGV-TVRVIFGSSA-N 741.800 4.937 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409003301 ZHRWUHBOLZWMMR-ZPVURNRZSA-N 569.639 4.673 5 40 KJBB CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3C)co2)s1 15391473 URCUQAGBPQCPSZ-UHFFFAOYSA-N 518.573 4.594 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 22233278 CFWLJDFTVRWMPS-UHFFFAOYSA-N 503.964 4.540 5 40 KJBB O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 29491244 HQESARUUPJBLST-UHFFFAOYSA-N 581.654 4.613 5 40 KJBB Cc1ccccc1NC(=O)CSc1nnc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn12)CC(C)(C)OC5 53340103 ZUQGEOYQZDKHIV-UHFFFAOYSA-N 575.720 4.614 5 40 KJBB O=C(COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1ccc(Br)cc1 100025022 FBHVJLKXYVHPRZ-UHFFFAOYSA-N 528.271 4.558 5 40 KJBB O=c1/c(=C\c2ccc(Br)cc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 101063590 HPIKIGBZQUXHGG-AQIZGWBQSA-N 544.430 4.989 5 40 KJBB CCCCCn1/c(=N\C(=O)c2cccc(Cl)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101168442 CGQWUMDZDCDJHZ-KRUMMXJUSA-N 506.990 4.719 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 102901310 LMPOLUMVNPXRKI-AREMUKBSSA-N 540.594 4.959 5 40 KJBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103545022 GAPOEWQYCCWKTE-CKXMCULTSA-N 542.551 4.846 5 40 KJBB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223572965 OKAAWZYCWLYCGA-OAQYLSRUSA-N 617.124 4.622 5 40 KJBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223622664 SVUCLEDEOJRHRV-SANMLTNESA-N 621.543 4.752 5 40 KJBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NS(C)(=O)=O 225462358 ARMURJYIOVPIOW-LOSJGSFVSA-N 548.650 4.638 5 40 KJBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225597029 ZBHBTIDUGNKACK-XMMPIXPASA-N 512.031 4.868 5 40 KJBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1Br 248266629 ZOPSTIZTHKWYBF-VPBXCIAMSA-N 574.387 4.764 5 40 KJBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409144591 LSNGZKOUWQDTND-MYYYXRDXSA-N 562.604 4.983 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409198256 AYWXBUKYSPVREL-BIWBSIMWSA-N 573.627 4.674 5 40 KJBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCCc1ccc(F)cc1 8694132 DCUMGOJZUONSPJ-UHFFFAOYSA-N 526.373 4.595 5 40 KJBB aggregator Cc1ccc(OS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)-c2c(cc(S(=O)(=O)Oc4ccc(C)cc4)cc2[N+](=O)[O-])C3=O)cc1 100518222 XDWHKNNDBBICLH-UHFFFAOYSA-N 610.578 4.867 5 40 KJBB Cc1cc(C)n(-c2cc(N3CCN(C(=O)C45C[C@H]6C[C@@H](CC(Br)(C6)C4)C5)CC3)ccc2[N+](=O)[O-])n1 103086351 PJWXTGWSMIJBJH-WSQGFLFRSA-N 542.478 4.780 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)C(c1ccccc1)c1ccccc1 103629004 JMSXUDLQVDIZLP-GXVXDJONSA-N 558.594 4.727 5 40 KJBB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222704816 NSSICUMFAZBJQD-GOSISDBHSA-N 623.515 4.577 5 40 KJBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222791849 JPTBGGVVMCLMRO-HXUWFJFHSA-N 587.098 4.776 5 40 KJBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224553938 DHXUQJAMJMCKIE-SANMLTNESA-N 621.543 4.834 5 40 KJBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261037119 YDBDDPPZUHFDOZ-DWACAAAGSA-N 596.706 4.521 5 40 KJBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408684529 NSOFIVYVRQKBFZ-QYVRTBTHSA-N 602.559 4.635 5 40 KJBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408839922 DHAHHBVYHBQFSZ-CBYYHRJHSA-N 708.092 4.978 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409046920 SKCWYWTVOYEXNP-UJFVOQSLSA-N 874.619 4.971 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409146549 UQFJREZXAZLCJV-UQDCTOEPSA-N 569.639 4.594 5 40 KJBB O=c1c2ccc3c(=O)n(-c4ccccc4)c(=O)c4c(NC5CCCCC5)cc(c(=O)n1-c1ccccc1)c2c34 8870391 UYJOXGLTKKUPAM-UHFFFAOYSA-N 515.569 4.789 5 40 KJBB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105310682 RFHRNSGTILIPKT-UHFFFAOYSA-N 553.984 4.725 5 40 KJBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] 224870364 QNOJMFLVKJLBGG-VWLOTQADSA-N 540.016 4.800 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)N1CCN(c2ccccc2)CC1 409206334 UTXCCAORJZZFFE-HZHRSRAPSA-N 552.996 4.893 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409273721 RRSRVGBHRBNVRM-BUVRLJJBSA-N 539.610 4.867 5 40 KJBB COC(=O)[C@](C)(Cl)Cc1ccc(-c2ccc(C[C@@](C)(Cl)C(=O)OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2291601 VONXVTILCSXAJC-FGZHOGPDSA-N 513.330 4.596 5 40 KJBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-])c1ccccc1 9601707 VUGFJINTSXIIHV-SFHVURJKSA-N 501.008 4.932 5 40 KJBB Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 13844315 BYTWQVGFGHACGZ-UHFFFAOYSA-N 502.767 4.993 5 40 KJBB CC1=NN(c2ccc(F)cc2)C(=O)[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)c1c(C)nn(-c2ccc(F)cc2)c1O 101622849 XZOIJUHMBUKQTL-ILBGXUMGSA-N 533.491 4.949 5 40 KJBB CN1C[C@H](c2ccccc2OCc2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408566821 PCHIFYJXYAAXOB-NIDLKEISSA-N 508.372 4.550 5 40 KJBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 408639216 FCSJQSDETHLPGM-BVGQSLNGSA-N 518.353 4.563 5 40 KJBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCC(C)C)c([N+](=O)[O-])c3)c2=O)=N1 409040858 UXDYQFPBUGTPDX-RQLGBQGVSA-N 600.491 4.504 5 40 KJBB COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(F)(F)F 2050347 NPRKGYSOEROGMG-QGZVFWFLSA-N 523.276 4.785 5 40 KJBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)ccc12 2095728 NTHGNNKZEXPSDJ-XMMPIXPASA-N 523.607 4.870 5 40 KJBB biogenic O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(F)cc1 8693904 YJWNZXCKCBKZDT-UHFFFAOYSA-N 545.898 4.918 5 40 KJBB aggregator CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222561833 GCQGIDYPPYMRGW-SFHVURJKSA-N 623.515 4.577 5 40 KJBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222791702 LFONAHARKNPTJS-HXUWFJFHSA-N 587.098 4.776 5 40 KJBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1nnc(SCc2ccccc2)s1 224867189 JDDLOJHOAYTCHW-UHFFFAOYSA-N 541.636 4.573 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 225025475 XPRHOXIBLMTAKZ-MHZLTWQESA-N 645.576 4.596 5 40 KJBB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409027666 DHXYLNGQPHOAKK-UHFFFAOYSA-N 588.642 4.676 5 40 KJBB COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)COc1ccc2c3ccnc4c5ccccc5c(=O)n(c2c1)c34 604406065 ZUXXAQYJZMRICR-RBISFHTESA-N 552.675 4.710 5 40 KJBB biogenic Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nnc12 3325036 FTBCXUWUGITFTF-UHFFFAOYSA-N 520.958 4.634 5 40 KJBB CCCCn1/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176529 FVHHFMRGZSZSGD-GDWJVWIDSA-N 500.599 4.665 5 40 KJBB O=C(c1ccccc1)c1ccc(OC(=O)[C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)cc1 102893233 PDTKWHWUXPKTSO-GCXHJFECSA-N 585.572 4.821 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 163923667 FQOMBJOMATUCKA-UPWSPCOFSA-N 630.635 4.724 5 40 KJBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408642222 MEVDOZUYEAUHCM-IAIFEWERSA-N 586.557 4.957 5 40 KJBB CCc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2261117 WFSCAPGEIBSJFX-UHFFFAOYSA-N 519.561 4.691 5 40 KJBB COc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20239399 FAIINCVQKNNZDO-UHFFFAOYSA-N 503.964 4.708 5 40 KJBB Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 105316198 IHXRUWRLBCXLQV-UHFFFAOYSA-N 538.029 4.646 5 40 KJBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105317634 OXFDPPAVXVKFNT-UHFFFAOYSA-N 599.138 4.999 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408565715 LTQLVGAVEMXJIP-YNCKHVCDSA-N 538.398 4.605 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408569531 JKGKTRKHPWVSEK-MMOZRLFVSA-N 556.388 4.744 5 40 KJBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409011213 MVMZXFRJVPECKI-OTGIAGGSSA-N 612.398 4.775 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409168895 UYUNEECDOJUISG-UHFFFAOYSA-N 575.043 4.537 5 40 KJBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 409184396 XVABJYVUWJRJKU-MZKUHISZSA-N 510.502 4.831 5 40 KJBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(F)c(F)c1F 409207357 VPOGVSRUBULXSR-MFOYZWKCSA-N 530.440 4.874 5 40 KJBB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409354107 YDQKZZGDOZKSMD-LJQANCHMSA-N 537.429 4.888 5 40 KJBB O=c1/c(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)sc2nc3ccccc3n12 139366567 JCMROWHMJDZFBH-MTJSOVHGSA-N 508.353 4.707 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225028892 PKTWSTYUIOYWRM-DNQXCXABSA-N 610.733 4.748 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408997080 QUJUWOYVCXSSAF-BQKWAYIGSA-N 699.548 4.876 5 40 KJBB COc1cccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)O2)c1 409191211 DLPKANXSTJVZTQ-PRSXHFSJSA-N 500.463 4.575 5 40 KJBB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1CC 409362914 HELRVFFEHZBIMG-UHFFFAOYSA-N 505.984 4.877 5 40 KJBB CCOc1c(I)cc(I)cc1/C=C/c1onc(C)c1[N+](=O)[O-] 8443430 ZCPQILVVEACQIZ-SNAWJCMRSA-N 526.068 4.670 5 40 KJBB COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 100819049 ODFRYYGVHGNSQT-HSZRJFAPSA-N 540.956 4.871 5 40 KJBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C=Cc3ccccc3[C@@H]21 100875053 XVJOAUBMQQEVCZ-NDBXHCKUSA-N 528.952 4.711 5 40 KJBB CCCCCn1/c(=N\C(=O)c2ccccc2Cl)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101121295 AVBLCVQWXSMLPI-KRUMMXJUSA-N 506.990 4.719 5 40 KJBB COc1cccc(NC(=O)CSc2nc3cc(OC)c(OC)cc3c3nc(-c4ccc([N+](=O)[O-])cc4)nn23)c1 101307892 SUEFPZQVNNQMGJ-UHFFFAOYSA-N 546.565 4.609 5 40 KJBB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1Br 103551642 ZOPSTIZTHKWYBF-JBXUNAHCSA-N 574.387 4.764 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 105512006 SRQXBOWCIHJLIX-SUAMDDGLSA-N 600.609 4.715 5 40 KJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 230031026 BAESHRZXCGUVQV-BVHQZVKASA-N 542.551 4.972 5 40 KJBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 408645205 HTDPLNHOGJIMKX-NREPNLDQSA-N 601.999 4.905 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408705664 KUJWVPYFKFHQMK-UHFFFAOYSA-N 516.384 4.812 5 40 KJBB 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COc1ccc(Cl)cc1N(CC(=O)NCCSc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104708690 BNCWRBBOOSMKNZ-UHFFFAOYSA-N 564.085 4.977 5 40 KJBB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409095382 AYHKJGZZRNNLSJ-SSDVNMTOSA-N 595.406 4.785 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409267561 NVZBUHORZCQTEA-MXAYSNPKSA-N 611.654 4.971 5 40 KJBB O=C(NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8832992 WIKWVSYCQVGLDG-UHFFFAOYSA-N 502.556 4.915 5 40 KJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C 12311916 XHKXRSQAFKHQIX-UHFFFAOYSA-N 510.959 4.995 5 40 KJBB CCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 100122855 FWZBJNJMRIIBEU-RGEXLXHISA-N 564.339 4.806 5 40 KJBB CCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OCC)c4)[C@H]3C2=O)cc1 105990244 GTUXVSNIMFGURM-VDKIKQQVSA-N 598.406 4.911 5 40 KJBB COc1cc(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)nn(-c3ccccc3)c2O)cc([N+](=O)[O-])c1O 108423373 CHTOTZNFHMYQOJ-UHFFFAOYSA-N 527.537 4.889 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 111470093 WQNJRXIJSUBPAU-RWTNITNYSA-N 567.982 4.759 5 40 KJBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225485313 XZHYLTWSYMUQSF-SANMLTNESA-N 537.588 4.678 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733042 DQPNYKRQOWLOMB-NFYDWNOTSA-N 610.044 4.637 5 40 KJBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 20153367 NVCXBCWRRCQZRE-UHFFFAOYSA-N 500.964 4.728 5 40 KJBB O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105311163 RONOULUYHPDOSF-UHFFFAOYSA-N 544.225 4.552 5 40 KJBB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)N(c4cccc([N+](=O)[O-])c4)O[C@H]3C2=O)cc1 106018281 DVCZDRCEAYRFBE-UPRLRBBYSA-N 585.594 4.722 5 40 KJBB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223885620 BYNOLRSSYDHGJI-SFHVURJKSA-N 593.489 4.650 5 40 KJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1cc(Br)ccc1OCc1ccccc1F 408571649 PJSLXCMBAYNLDS-VIQOPKQKSA-N 526.362 4.735 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409380119 IKZPQVXFGOLJEI-UUYOSTAYSA-N 590.452 4.994 5 40 KJBB COc1ccc(N(CC(=O)Nc2c(F)c(F)c(F)c(F)c2F)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 101763069 OGNBYEMYUJUOJG-UHFFFAOYSA-N 565.860 4.786 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260882172 INLQXZIJZUVKLF-HSZRJFAPSA-N 645.178 4.993 5 40 KJBB O=C(O)COc1c(I)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1I 408918945 QZNKYNUADLOMRN-VIZOYTHASA-N 666.187 4.504 5 40 KJBB Cc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1Cl 409157166 PDSLRHXHZYPIIB-LJQANCHMSA-N 502.984 4.533 5 40 KJBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)cc12 8765802 HDYWLLGJFBADLR-UHFFFAOYSA-N 508.508 4.862 5 40 KJBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)N1CCN(c2ccc(F)cc2)CC1 8792179 ZAESDFFLBNJMPH-LJQANCHMSA-N 520.564 4.847 5 40 KJBB biogenic Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(Br)c2)cc1 14410836 USQDYPQMPUJAKT-UHFFFAOYSA-N 518.389 4.808 5 40 KJBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 97954846 SMCKRAPUDIDSSG-VJGNERBWSA-N 525.517 4.816 5 40 KJBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 101845653 HHPSTWZWYPKYJT-UHFFFAOYSA-N 574.567 4.963 5 40 KJBB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 102077521 WCBVQLKHOIBRDE-IZDDANQMSA-N 592.604 4.777 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 111461072 FBCKKFGCZRDDEN-FUFNRSNVSA-N 603.653 4.682 5 40 KJBB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1OC 225303906 VMADCRWLRKCFGU-SXOMAYOGSA-N 558.620 4.551 5 40 KJBB O=C(COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1)Nc1cc(Cl)c(Cl)cc1Cl 408603934 HTIPONXUNLUCMP-ZZXKWVIFSA-N 511.705 4.944 5 40 KJBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 408644563 HANIWYBVWLYIRV-BYVQZYKMSA-N 587.588 4.736 5 40 KJBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732530 WKDJIBWDJQDLCY-QUNTYYFUSA-N 644.662 4.701 5 40 KJBB CC(C)c1cc(I)ccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 409124176 JPSMGLWKYUOMEN-UHFFFAOYSA-N 537.383 4.849 5 40 KJBB CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 2659876 XGJIXUDROGFMCM-UHFFFAOYSA-N 578.987 4.618 5 40 KJBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c(C)c1 105313190 GICODBWGRUZRLZ-UHFFFAOYSA-N 531.594 4.983 5 40 KJBB O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cc([N+](=O)[O-])ccc1Br 109942786 KOCWHWKSESRZNO-UHFFFAOYSA-N 559.785 4.938 5 40 KJBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224206584 AGSNBEWUNBWNKG-LJAQVGFWSA-N 592.718 4.965 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O 224893264 SZEQCWSLTAVESQ-SFHVURJKSA-N 599.537 4.842 5 40 KJBB O=C(Oc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408657562 IKLGKLMZBIACCG-CDXGUMRGSA-N 599.599 4.950 5 40 KJBB COC(=O)C(=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)OC 409079002 JPPRBHSBEYJSNP-UHFFFAOYSA-N 560.107 4.550 5 40 KJBB CCOC(=O)c1c(NC(C)=O)sc2c(OC(=O)c3ccc([N+](=O)[O-])cc3)c(Br)ccc12 3146545 PYEGCPPLWJQCDV-UHFFFAOYSA-N 507.318 4.926 5 40 KJBB COc1ccc(-c2nn3c(SCC(=O)N[C@H](C)[C@H]4C[C@H]5CC[C@H]4C5)nc4ccc(Cl)cc4c3nc2=O)cc1 107530607 YDAVJUVDCXYOLK-JIYIMXKPSA-N 550.084 5.000 5 40 KJBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 225401898 LETJLYLJPRVZGT-LJAQVGFWSA-N 610.708 4.589 5 40 KJBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225620673 JJEFEQCHBNLDAN-DEOSSOPVSA-N 512.031 4.868 5 40 KJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c1)[C@@H]1CCCN12 408569334 VRHMBRWPVPKASW-TUPPOGIXSA-N 534.956 4.882 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408941834 KMLKKELVSZFLDZ-PLQXQRLBSA-N 580.018 4.547 5 40 KJBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2=O)=N1 409036457 WFRKKQJTMNLKQA-MGSPXPDISA-N 549.992 4.620 5 40 KJBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409094463 DGOANEVUIRBIRB-VXLYETTFSA-N 535.372 4.924 5 40 KJBB COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@]32c2ccc([N+](=O)[O-])cc2)cc1 2378237 TUWUSSJXODWDSL-PVTPYKNESA-N 521.529 4.976 5 40 KJBB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)ccc2OC)cc1Br 5940567 LWKJVOYISWJHIF-UHFFFAOYSA-N 580.413 4.826 5 40 KJBB O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 32640678 PXVVLRIAQSOASU-RDJZCZTQSA-N 505.927 4.542 5 40 KJBB CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 98005270 GTFJPILXYPXNTN-HHHXNRCGSA-N 531.590 4.901 5 40 KJBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100308397 GDUKPEGZXNWODV-UHFFFAOYSA-N 558.326 4.906 5 40 KJBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H](c5ccccc5)[C@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 102511308 PGORHJJBYYEFID-QKCCNMAZSA-N 524.529 4.564 5 40 KJBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103545031 GAPOEWQYCCWKTE-YSGXDJDMSA-N 542.551 4.846 5 40 KJBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 224817043 QCTDDTLUFGNKOS-LOSJGSFVSA-N 501.568 4.975 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408997507 GVNXYDRACPCNAA-LMTOTAIGSA-N 557.653 4.566 5 40 KJBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59331942 IFQUSXPTJNNEKN-UHFFFAOYSA-N 523.977 4.656 5 40 KJBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 103101428 SQTUEPACGBVEFY-HSZRJFAPSA-N 543.985 4.570 5 40 KJBB COc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 106185539 HYQBKWDCSXKLRI-UHFFFAOYSA-N 537.638 4.588 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 150396497 DFTHTZZXFPESLH-QYIOYSLNSA-N 651.653 4.841 5 40 KJBB C[N+]1(C)CC[C@@]2([C@]34CC[N+](C)(C)[C@H]3Nc3c([C@]56CC[N+](C)(C)[C@H]5Nc5ccccc56)cccc34)c3ccccc3N[C@H]21 169650345 KXMJBEBEDVGAKD-BAKSPFSNSA-N 563.814 4.844 5 40 KJBB biogenic CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224676906 LDWXJUIHKLHRCJ-INIZCTEOSA-N 508.438 4.532 5 40 KJBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225074067 BDUVBTONXXVJPW-AREMUKBSSA-N 621.543 4.832 5 40 KJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 225517223 FDPDWPYPOPNORD-IZZNHLLZSA-N 529.578 4.870 5 40 KJBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408565396 KGXPSFGKSPJRAS-DNKZPPIMSA-N 552.425 4.949 5 40 KJBB C[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408664394 SRLQPWPOAGLFBY-MAYCUEEMSA-N 551.382 4.620 5 40 KJBB CC(=O)Nc1ccc2c(COC(=O)c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc(=O)oc2c1 3428056 HVSHGIIKZWMCKI-UHFFFAOYSA-N 535.896 4.922 5 40 KJBB Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@@H]5CCCN(S(=O)(=O)c6ccccc6)C5)nc34)c12 13644046 VVFWILWMFPFCEG-CQSZACIVSA-N 514.583 4.702 5 40 KJBB 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633.679 4.773 5 40 KJBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 261091308 UCQSYVRDUWJZNL-DFHRPNOPSA-N 615.152 4.877 5 40 KJBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408566790 OTPPZXPLJBHXJD-RZPHLTDDSA-N 526.362 4.689 5 40 KJBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408683127 KLEBTXUFXONIGJ-QYVZARNFSA-N 574.549 4.953 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cccs1 408764782 AEXZMLVCIHUJIW-MFCBUNOESA-N 584.679 4.771 5 40 KJBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 409104565 JUIVRWHMBJDNIZ-FATJQOLTSA-N 656.761 4.998 5 40 KJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(Br)cc2)cc1 19856225 ANRCGEKIJPMBED-UHFFFAOYSA-N 518.389 4.808 5 40 KJBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105311332 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Cc1nn(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 1471315 GBEGEOTZJXPHEB-IBGZPJMESA-N 521.020 4.706 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 6489085 RLTAQCZEVXKNMZ-AQIZGWBQSA-N 580.018 4.629 5 40 KJBB O=c1/c(=C\c2cc([N+](=O)[O-])cc(Br)c2O)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 100958411 OYHOOPSTQAIILT-SEXPAEGTSA-N 605.426 4.603 5 40 KJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 101175390 KCIYEHVENDTMCT-KEZOAJOQSA-N 532.915 4.541 5 40 KJBB Cc1cccc(N2CCN(C(=O)CCCc3nnc4n5nc(-c6ccccc6)nc5c5ccccc5n34)CC2)c1C 101501520 ZOVDSRNTRWGGFC-UHFFFAOYSA-N 544.663 4.881 5 40 KJBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1Cl 105318972 ULWYEFPERKCDMC-UHFFFAOYSA-N 557.862 4.736 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 105511867 FHCLCYOGLIIDDC-PKYOQBLNSA-N 599.665 4.603 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OC 214896932 RUROSWUKQIZODA-LICLKQGHSA-N 540.335 4.843 5 40 KJBB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222514669 GIHAWOUDGZUBGK-AREMUKBSSA-N 587.098 4.776 5 40 KJBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260988149 PJBZJHBRBCHREE-CUNXSJBXSA-N 566.680 4.512 5 40 KJBB Cc1ccc(COc2ccc(Br)cc2[C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 408565271 JFDZMOPZTPVXEC-HQCZVFHSSA-N 522.399 4.858 5 40 KJBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408652492 OUMXTRVPTTUHCG-GQHLQYEBSA-N 601.999 4.739 5 40 KJBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)CC1=O 408665241 OTOYWJJQKWOPHB-QUIRXASYSA-N 629.625 4.959 5 40 KJBB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)c([N+](=O)[O-])c1 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260807478 RISZZSAKBRUDAL-XMMPIXPASA-N 622.744 4.973 5 40 KJBB CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OCC)c3)C(=O)O2)cc1 409009083 VHDGCVNTCRDWLN-HMAPJEAMSA-N 502.479 4.956 5 40 KJBB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409214377 UUQUTVUIMDAYAP-UFFVCSGVSA-N 599.369 4.615 5 40 KJBB CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2093955 RIFJSSDJTDTUSJ-XMMPIXPASA-N 509.580 4.706 5 40 KJBB biogenic CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)n2c(s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2=O)=N1 2671787 GQWDCKVIKATTLT-RWTNITNYSA-N 549.630 4.664 5 40 KJBB CC(C)C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 13858011 MYUYEDAYPVDWQD-YOJFPRAJSA-N 509.562 4.840 5 40 KJBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSCc1c(F)cccc1Cl 59652027 XPDMGNAPVWGEPK-UHFFFAOYSA-N 538.022 4.632 5 40 KJBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222514748 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5 40 KJBB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 224849220 UERVQSYIZOPMHX-RPBOFIJWSA-N 501.568 4.975 5 40 KJBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409107332 OTNDJCILCCJIHM-NNLQFVHNSA-N 521.345 4.534 5 40 KJBB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 104085931 HGJUOIRFULCAIP-UHFFFAOYSA-N 549.436 4.973 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 150389534 DSRQDDMZFACALU-LRAMOIDDSA-N 684.521 4.755 5 40 KJBB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224892253 GOXKOUZBQYWRAR-LJAQVGFWSA-N 640.759 4.695 5 40 KJBB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408832273 SKRCHLIBEBRPLB-YMSBRDKKSA-N 567.620 4.947 5 40 KJBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 409100513 UAZHZFBIBDMLRJ-LPYMAVHISA-N 565.380 4.776 5 40 KJBB Cn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409356733 HHIGNELFUAIJBQ-UHFFFAOYSA-N 529.793 4.596 5 40 KJBB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 102077511 WCBVQLKHOIBRDE-KDFIAWLDSA-N 592.604 4.777 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O 103993114 ASQJKEAMNOQTQZ-NGSHPTGOSA-N 529.936 4.655 5 40 KJBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225155691 QUDNBLQMWDQQMP-JOCHJYFZSA-N 596.681 4.795 5 40 KJBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1NC(C)=O 225327000 QDVCOCXTGLESFS-UIOOFZCWSA-N 528.594 4.925 5 40 KJBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 226517181 IBFFTUIKNDZGRC-ROQNDKPUSA-N 564.550 4.984 5 40 KJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1cc(Br)ccc1OCc1ccc(F)cc1 408572121 QRBTUWIZJBNOMT-RHLLLVCUSA-N 526.362 4.735 5 40 KJBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408649332 XSYOWGZLZCGABM-UIOOFZCWSA-N 584.541 4.877 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)c(F)c1F 409271610 KNNXVTLGONKNSZ-RQZCQDPDSA-N 503.414 4.947 5 40 KJBB CON(C)S(=O)(=O)c1ccc(Br)c(C(=O)OCc2nc3ccccc3c3ccccc23)c1 13016585 SQRFDJIKAVKJCF-UHFFFAOYSA-N 515.385 4.689 5 40 KJBB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1Br 103546360 MAIXRGDQKGBNEC-VGCGRUFVSA-N 574.387 4.639 5 40 KJBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408564729 FLERSMAOVXBKHZ-OTGIWPJISA-N 525.964 4.979 5 40 KJBB CCn1c(S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)O)nnc1-c1ccc(Cl)cc1 408632739 KCRXTMZEDXECRE-ZHZULCJRSA-N 515.979 4.581 5 40 KJBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1[N+](=O)[O-] 100847557 AGNGWPYPNGURCC-UCQKPKSFSA-N 556.991 4.789 5 40 KJBB COc1cc2nc(SCC(=O)Nc3ccccc3F)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 101307996 UOWQLTLSORHTAO-UHFFFAOYSA-N 534.529 4.740 5 40 KJBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 102539495 RDFBLFHZIOUACG-BUUDZMLXSA-N 512.518 4.708 5 40 KJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260959671 KXMCMJNLAZBXFT-DFHRPNOPSA-N 596.706 4.521 5 40 KJBB O=[N+]([O-])c1ccc(Sc2nnc(-c3cc(Br)ccc3O)n2-c2ccccc2)c2nonc12 408604001 IAMULJRCPILCSI-UHFFFAOYSA-N 511.317 4.998 5 40 KJBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1OCC 408934799 DAGXSXYYRUHRSP-LTXAPKEISA-N 638.702 4.727 5 40 KJBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n21 408942018 DGSJTDQCGNWYSH-LMSRTUJASA-N 637.512 4.657 5 40 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Cc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O 105795365 CSMNRWJAVWAZLV-OZNIXHKMSA-N 585.594 4.722 5 40 KJBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cc(I)ccc1Cl 109352764 IMEYFVDYEGIYCM-UHFFFAOYSA-N 613.909 4.680 5 40 KJBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N1C(=O)c2cccc3c(N4CCCC4)c([N+](=O)[O-])cc(c23)C1=O 408531025 KBXXULMLSWJDBM-UHFFFAOYSA-N 526.509 4.860 5 40 KJBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(Br)cc4)o3)CC2)c([N+](=O)[O-])c1 408571492 CPPKLPUSJMGEON-UHFFFAOYSA-N 587.452 4.631 5 40 KJBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 408922376 ZXXCTXOWGSMKRV-UHFFFAOYSA-N 640.696 4.555 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(C)cc3)C2=O)o1 409398667 FRWFBLAIZUAGEW-GRSHGNNSSA-N 570.352 4.717 5 40 KJBB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 21124039 JMGHQRPZJYPDLA-UHFFFAOYSA-N 512.897 4.926 5 40 KJBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3c3ccnc2c31 70708286 RLBZAZYRJWNEFC-UHFFFAOYSA-N 583.044 4.990 5 40 KJBB biogenic O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cc(Br)ccc1Cl 105824542 PBGXUODXQLVKSR-UHFFFAOYSA-N 566.909 4.838 5 40 KJBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 197821781 FZVXKTBOVYWEEH-UHFFFAOYSA-N 645.513 4.992 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223796382 REJOKSJSXRUOPJ-RBISFHTESA-N 659.603 4.987 5 40 KJBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224023875 DKEYXVDCJRIZEV-FQEVSTJZSA-N 587.098 4.776 5 40 KJBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408565281 JGPXSKCDJCKQRQ-DEEGFUGBSA-N 517.557 4.858 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409076320 ANPPUUKLTIYEJU-CMISJSSVSA-N 655.571 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631.151 4.950 5 40 KJBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225332074 ZLCIPCQWGXGXHL-LJAQVGFWSA-N 594.734 4.534 5 40 KJBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3c(C)cccc3C)cc2)c1 408645399 LJNRJIHNWUZWJR-UHFFFAOYSA-N 521.526 4.913 5 40 KJBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)cc([N+](=O)[O-])c5O)c(=O)n42)c2ccccc2CC3)cc1OC 408758265 XVHYDSTUAXNXOG-NFYDWNOTSA-N 620.481 4.712 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408845544 HRHYPRJVVLVATB-BIWBSIMWSA-N 573.627 4.754 5 40 KJBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 408917028 LAUNNKFDFJTLOC-YDZHTSKRSA-N 537.525 4.997 5 40 KJBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCCCc4ccccc4)cc3c3ccnc2c31 8792263 GHTIKSWHSHJXRX-UHFFFAOYSA-N 521.573 4.737 5 40 KJBB biogenic Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)CCc4ccccc4)c3)CC2)cc1 9113681 PMYKUTWCASUAMF-JOCHJYFZSA-N 508.644 4.847 5 40 KJBB CCCCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 16639315 AQBILBAVYOFEHO-UHFFFAOYSA-N 510.538 4.629 5 40 KJBB CCOC(=O)c1c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)sc2c1CCN(Cc1ccccc1)C2 53390211 PWUJLRIBVRETRH-UHFFFAOYSA-N 578.676 4.923 5 40 KJBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)Nc4ccc(CCO)cc4)cc3c3ccnc2c31 70708284 ADHNHQJJAZZXGA-QGZVFWFLSA-N 537.572 4.550 5 40 KJBB biogenic O=C(NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccccc1[N+](=O)[O-] 100311861 DOMLHJUXVZGLTM-UHFFFAOYSA-N 513.329 4.998 5 40 KJBB COc1ccc(NC(=O)COC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)c([N+](=O)[O-])c1 103101744 GNWFDVKIUJJCOE-UHFFFAOYSA-N 547.520 4.640 5 40 KJBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc2c(c1)OCCO2 409206938 RIXYGFOKGSHAQX-CFRMEGHHSA-N 547.545 4.620 5 40 KJBB O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 14360567 SXBJBORLLZCMIW-UHFFFAOYSA-N 508.339 4.914 5 40 KJBB O=C(O)[C@H]1[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104241725 DYUITWDZHBKQOC-WTVOAAGRSA-N 508.956 4.696 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104708705 YIEMMETWPASTPE-UHFFFAOYSA-N 564.085 4.810 5 40 KJBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223754305 DGBYIRCZSOISOX-IBVKSMDESA-N 537.588 4.676 5 40 KJBB CN1C[C@H](c2ccccc2OCc2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408566823 PCHIFYJXYAAXOB-VPHKFGTKSA-N 508.372 4.550 5 40 KJBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408569714 XDGGIHRXLRKHIG-ZNCVFPSASA-N 538.398 4.559 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408572361 QYKWYZVZGPMIFF-BWBSTZKSSA-N 583.395 4.513 5 40 KJBB COc1c2c(cc3c1[C@@H](CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C)N(C)CC3)OCO2 20411460 CTINTHRDYNWNKQ-MRXNPFEDSA-N 513.547 4.957 5 40 KJBB biogenic O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 102097616 LCLWFEZQNCZOPC-BUSIPVBWSA-N 524.529 4.564 5 40 KJBB CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC 102742450 RXTZBZXMDAUWOR-TWJOJJKGSA-N 517.538 4.833 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccccc1Cl 102921452 NMKNFDVIJSSSAJ-BGABXYSRSA-N 504.974 4.726 5 40 KJBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223986269 HXYASSXNQSLFIY-HKBQPEDESA-N 614.724 4.956 5 40 KJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261011312 ULDDNSJISFTCMV-LXFBAYGMSA-N 580.707 4.821 5 40 KJBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc(OC)cc1 408732114 SFGPZMDCOXEGEC-OBDCIHEFSA-N 629.691 4.802 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408762449 BGSVRQJHSGOJEN-JOHYPREOSA-N 727.773 4.629 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21 408917755 AVMVGUVAEZPTPM-LQDNNDEMSA-N 505.324 4.507 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409030997 GELVDTHAPCBACL-GAPLDZIPSA-N 813.623 4.841 5 40 KJBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc([N+](=O)[O-])cc(Br)c3O)c2=O)=N1 409045937 QDDYAJVORAZFBB-IOKRJLGCSA-N 636.908 4.617 5 40 KJBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccn4-c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1 409087266 YBRKQJDRERRMIN-ACJNQYEBSA-N 591.649 4.581 5 40 KJBB COc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 14165732 CFNDUZVIYNWLMQ-UHFFFAOYSA-N 521.551 4.599 5 40 KJBB CSCC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 29747749 IYOPCPHPSUPNQU-IQTFSTCVSA-N 527.602 4.547 5 40 KJBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 33764508 QSDBRXRVQCFZDA-UHFFFAOYSA-N 502.357 4.503 5 40 KJBB CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H]2c3ccccc3C=NN12 102631601 IHDWWOZGCSNCIG-RBZQAINGSA-N 561.591 4.540 5 40 KJBB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223682934 YDYYQAWWJMIPKB-MHZLTWQESA-N 580.707 4.555 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 408576078 XHHHLULBDFPSAX-BWBSTZKSSA-N 556.388 4.744 5 40 KJBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)c([N+](=O)[O-])c1 409272764 GZDGJUWEIGFUBZ-SRZZPIQSSA-N 509.452 4.691 5 40 KJBB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)N(c4cccc([N+](=O)[O-])c4)O[C@H]3C2=O)cc1 1315479 COHIBGBERYDFRK-UPRLRBBYSA-N 565.538 4.874 5 40 KJBB CC(=O)Oc1ccc2nc(-c3cccc(N4C(=O)c5cccc6c([N+](=O)[O-])ccc(c56)C4=O)c3)oc(=O)c2c1 97951797 XMQBLGSWALIEHX-UHFFFAOYSA-N 521.441 4.642 5 40 KJBB COc1cc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 102899463 NFRUHNDXORRJRJ-AWCRTANDSA-N 579.565 4.869 5 40 KJBB C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224983505 IZFRIICLNHSPPY-DEOSSOPVSA-N 592.718 4.699 5 40 KJBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225554979 ZMDZQPVJEJTRJS-MHZLTWQESA-N 675.602 4.688 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409206818 LRVSESVTALQLSD-QLPFJNHISA-N 514.556 4.951 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)[C@@H](CC)c1ccccc1 103628806 QQVWXZQWFYHAIU-CVZVJOGPSA-N 512.610 4.952 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225307590 VQYCGAHNUWWWQQ-HUUCEWRRSA-N 512.390 4.621 5 40 KJBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408653995 QHKLAXPVFDAHRB-YXVKNGOVSA-N 599.983 4.515 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408725217 GALJDXDETQIGPJ-KEQCBNTKSA-N 610.044 4.637 5 40 KJBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408839925 DHAHHBVYHBQFSZ-PNZYDNNZSA-N 708.092 4.978 5 40 KJBB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408902077 FGYNWQXLAUETHN-XKZIYDEJSA-N 599.406 4.947 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408977838 YJUBVBMTHFMNTH-FUFNRSNVSA-N 630.635 4.806 5 40 KJBB O=c1/c(=C/c2cc([N+](=O)[O-])ccc2O)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 36092613 ZRBFBSWTNHUGRD-PNZYDNNZSA-N 515.978 4.586 5 40 KJBB COc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)c(OC)c1 70708101 LZVJZBXMEOLZOL-KRWDZBQOSA-N 567.598 4.710 5 40 KJBB biogenic COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1NS(C)(=O)=O 225495460 SKVMWOWLXJRQRX-RPBOFIJWSA-N 565.633 4.807 5 40 KJBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)CC1=O 408652055 OBVLMHJQVAXNHV-INIZCTEOSA-N 587.368 4.908 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408991740 PCWWGOZBUYFSGP-FGSNJIQSSA-N 557.653 4.566 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409146545 UQFJREZXAZLCJV-LCQSEVKBSA-N 569.639 4.594 5 40 KJBB Cc1ccc(-c2csc(NC(=O)CSc3n[nH]c([C@@H](NC(=O)c4cccc([N+](=O)[O-])c4)C(C)C)n3)n2)cc1[N+](=O)[O-] 409150862 FKNUMCLAZLKPCA-NRFANRHFSA-N 596.651 4.911 5 40 KJBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc(Br)c1OCc1ccccc1F 409332804 RIHKVFCJJWUQMT-BQYQJAHWSA-N 506.284 4.846 5 40 KJBB O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NC1CCCCC1 2967648 WNAYFEXREJJMDU-JOCHJYFZSA-N 505.600 4.716 5 40 KJBB CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 101173428 JKALMILGQCTTEK-NXCFDTQHSA-N 517.538 4.833 5 40 KJBB O=C(Oc1ccccc1)c1ccccc1OC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 10040670 HSYBFQPKENKAEQ-UHFFFAOYSA-N 503.488 4.866 5 40 KJBB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)cc1 25422222 UBPQTWOKYUOFEY-UHFFFAOYSA-N 509.584 4.938 5 40 KJBB COc1cc2nc(SCc3cc(=O)n4cc(Cl)ccc4n3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 33356337 REFUEKJAFQUCGC-UHFFFAOYSA-N 575.994 4.824 5 40 KJBB O=c1/c(=C\c2ccc(O)c(Br)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 100958370 SXUREMOKUCYGDJ-YXDQGSNCSA-N 560.429 4.695 5 40 KJBB COc1ccc(OC)c(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)nc3ccccc3c2=O)c1 103078728 NYMMGIHUUAVBQO-UHFFFAOYSA-N 571.409 4.804 5 40 KJBB 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O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSCc1c(F)cccc1Cl 409026060 FBGYGJFCRABQPD-UHFFFAOYSA-N 538.022 4.632 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409270525 GZIOINIPXLORAN-MXAYSNPKSA-N 590.614 4.913 5 40 KJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(Br)ccc1O 409412121 RTDMXFDJANJQKB-UHFFFAOYSA-N 512.773 4.726 5 40 KJBB COc1ccccc1CNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O 2967349 REFQCCWBHSOFAU-HSZRJFAPSA-N 543.605 4.592 5 40 KJBB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223706860 XOYCTSHOBSYESB-LJQANCHMSA-N 637.542 4.967 5 40 KJBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1 8901941 ROOLMZBWWFKENY-UHFFFAOYSA-N 513.598 4.718 5 40 KJBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1 13148737 OFAGRQMAYSIHHY-UHFFFAOYSA-N 512.540 4.921 5 40 KJBB 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4.997 5 40 KJBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c2=O)=N1 164203750 BAXXVWFHUFBXMA-OBDCIHEFSA-N 657.701 4.723 5 40 KJBB C[C@@H](CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 224937884 GQSGOWPIEIOSHA-KRWDZBQOSA-N 501.992 4.748 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409029915 DBIUJTVHFVAGQH-DVUZPASPSA-N 726.558 4.680 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409105343 INDGSRTUCTYLFM-ZKZBLMLZSA-N 651.539 4.642 5 40 KJBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409193186 DWTIPZVJEDHCBP-XKZIYDEJSA-N 550.549 4.864 5 40 KJBB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC 1316702 TXOPZUAEOPGLDM-SKVJQKLOSA-N 555.543 4.825 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1c(-c2c(F)cccc2Cl)noc1C 100820960 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O=C(NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1 100008173 WIEILDHTDMYHKG-UHFFFAOYSA-N 537.573 4.598 5 40 KJBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 101133219 DYMOCMCQRPEQAM-GDWJVWIDSA-N 500.599 4.754 5 40 KJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223593527 MOTNBAUFWYBPBX-MHZLTWQESA-N 596.706 4.521 5 40 KJBB CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 224937200 QVMISTXJYDQKGN-UHFFFAOYSA-N 522.410 4.840 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408945697 XVANGPNFOOETIV-YMSBRDKKSA-N 630.517 4.655 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 409001872 XGQSTCSKESZQAJ-HNVAQCFTSA-N 711.774 4.929 5 40 KJBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409198497 GREFCIBFPRVSAE-XYGWBWBKSA-N 605.629 4.692 5 40 KJBB 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4.768 5 40 KJBB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 101104547 AOHHPULUMUHPMT-UHFFFAOYSA-N 603.539 4.567 5 40 KJBB CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Br 110001695 JIMQNXUKXRNBQS-UHFFFAOYSA-N 561.380 4.612 5 40 KJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224476945 QYMHNUKBMAQJIH-HSZRJFAPSA-N 599.537 4.842 5 40 KJBB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1OC 225304109 UXUOTWRFFLMLFF-KAYWLYCHSA-N 558.620 4.551 5 40 KJBB Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 260824293 XSRPJBLFMWZRQC-XMMPIXPASA-N 592.718 4.965 5 40 KJBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408566744 OPIOLBKLABFEIM-BQGAEBSMSA-N 564.982 4.890 5 40 KJBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)cc1 408642134 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4.644 5 40 KJBB biogenic O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 97995724 GCEONUXMEAINJN-UHFFFAOYSA-N 549.056 4.996 5 40 KJBB O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 109942793 XUHFZLUTTQXNLG-UHFFFAOYSA-N 515.334 4.829 5 40 KJBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224129250 SMHLZIZUVOSVHA-FQEVSTJZSA-N 631.549 4.885 5 40 KJBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224650387 KJSQQBHFFZNREP-OAQYLSRUSA-N 617.124 4.704 5 40 KJBB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225661307 CBSAVBLTOAHYCS-NRFANRHFSA-N 587.098 4.633 5 40 KJBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 226517197 IBFFTUIKNDZGRC-UCAUIBNQSA-N 564.550 4.984 5 40 KJBB O=C(COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 408739150 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4.978 5 40 KJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 101076808 CUVMCQWZQGOKDL-YCAMKHIRSA-N 517.900 4.660 5 40 KJBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)N1CCCCC1 106757194 FQGBBAPSHNIXQP-BKUYFWCQSA-N 560.426 4.985 5 40 KJBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224824617 OXNBPYPNTQALEY-QFIPXVFZSA-N 596.681 4.795 5 40 KJBB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225694492 UPDGTRQWXXEAFU-QGZVFWFLSA-N 522.465 4.780 5 40 KJBB Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 260978305 AUVRBBZXANITGJ-MUUNZHRXSA-N 594.734 4.532 5 40 KJBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409008933 AKIJIZOCFXRQIU-OTGIAGGSSA-N 565.398 4.933 5 40 KJBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)cc1 409108303 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COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408565713 LTQLVGAVEMXJIP-OQLYEKFSSA-N 538.398 4.605 5 40 KJBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408575855 WYISAPSDZILCQM-LCILEWSWSA-N 556.388 4.744 5 40 KJBB O=C(COc1ccc(Cl)cc1Cl)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10039711 QKNQWLOXOUJCKF-XMMPIXPASA-N 517.321 4.564 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 103629032 SFUJGXZXPCYIMK-FJWXAHFCSA-N 581.412 4.669 5 40 KJBB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc(OC)cc3)n2-c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 150391347 ZRSROBRCJCTQIJ-QGZVFWFLSA-N 650.739 4.960 5 40 KJBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc(O)c(OC)c1 408731500 NAIRBNVNZTVKBA-TZUCAZQYSA-N 645.690 4.507 5 40 KJBB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 409017605 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CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c2=O)=N1 104677260 KSPIUDVZGWAYML-SUAMDDGLSA-N 579.675 4.627 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409041972 WQKGDMIHAOKORM-MLCIDIQUSA-N 762.750 4.756 5 40 KJBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cccc([N+](=O)[O-])c1 100310021 NRSVSWQOUOGYSE-UHFFFAOYSA-N 513.329 4.998 5 40 KJBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 101184032 GAPOEWQYCCWKTE-QODLHPCFSA-N 542.551 4.846 5 40 KJBB Cc1ccc(Cl)c(Oc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[N+](=O)[O-])c1 103006637 ACXCEKFTOBEYFE-UHFFFAOYSA-N 528.974 4.948 5 40 KJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)[C@H](CC)c1ccccc1 103628808 QQVWXZQWFYHAIU-CHCLFSNASA-N 512.610 4.952 5 40 KJBB COc1c(Br)cc(Br)cc1C(=O)Nc1nc2c(OC)cc([N+](=O)[O-])cc2s1 104244477 ZIIGJNMVOKVBJH-UHFFFAOYSA-N 517.155 4.999 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223573628 ZIHSFJJQZKXPED-SKCUWOTOSA-N 615.152 4.877 5 40 KJBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@H]5c5ccccc5)[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408676757 ABCJJUPYMQVPGX-OGGKCIFPSA-N 553.571 4.628 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408854622 JJANGLXHJYCYDC-PRLWALMFSA-N 603.653 4.762 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409089137 LYBWUEFPVRGCRT-XGLZOBASSA-N 667.538 4.667 5 40 KJBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409101812 WRFMHWRPJRMAST-ABBNRAPFSA-N 624.679 4.862 5 40 KJBB CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409103289 VULNLIBJMVYKJH-OTGIAGGSSA-N 612.398 4.775 5 40 KJBB COc1ccc(C(=O)N(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2nc3ccccc3s2)cc1[N+](=O)[O-] 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408769972 RHBKJIRKAWGUAJ-BHFPBWTASA-N 758.625 4.562 5 40 KJBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408921109 DKBSLPLJIBCAAO-UHFFFAOYSA-N 511.299 4.863 5 40 KJBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(Br)cc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC 408948389 RJMSFZWUDKITMB-URRXENHHSA-N 654.495 4.746 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408987917 PPDWGGRNNDJNSI-QQMBNGEASA-N 659.717 4.701 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409276083 YHPSEQWLVSTSBF-SRZZPIQSSA-N 536.478 4.618 5 40 KJBB COC(=O)CN(c1ccc2cc3ccc(N(CC(=O)OC)S(=O)(=O)c4ccc(C)cc4)cc3nc2c1)S(=O)(=O)c1ccc(C)cc1 4235190 NNGUEMQPHFURQP-UHFFFAOYSA-N 661.758 4.741 5 40 KJBB COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1OC 9320163 SWIWKFYOBLSYFK-NRFANRHFSA-N 521.526 4.629 5 40 KJBB O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[C@H](C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1OC(=O)c2ccccc21 103012670 BQNHFQJQQIQKMY-SIKLNZKXSA-N 558.286 4.728 5 40 KJBB COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 106185638 KEGRQBTWQOWMQL-UHFFFAOYSA-N 538.409 4.730 5 40 KJBB COc1c(Br)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 108207017 IJQSXFUBYYHNAM-UHFFFAOYSA-N 500.301 4.985 5 40 KJBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225148162 FKEQYSNZOGOHLZ-DEOSSOPVSA-N 579.119 4.579 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225240266 LVLVZIRBXOOQTR-PMERELPUSA-N 606.745 4.758 5 40 KJBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408566447 OELINZZKOBISFK-MOXRBOSHSA-N 519.985 4.982 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729022 BTWMANKAPTVVTP-ZFWDJNJRSA-N 654.495 4.746 5 40 KJBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 409091220 RSCFFNORDQBQAO-PDUUCECCSA-N 621.700 4.785 5 40 KJBB COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n21 409270931 BMWBPTBATIOMEF-ZJTZAHLKSA-N 625.147 4.993 5 40 KJBB COc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1 6280749 QRZCPZVOVBHNPZ-UHFFFAOYSA-N 505.556 4.802 5 40 KJBB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)CC3=O)cc2)cc1C 408659107 MADFSHXMCLQSAX-FQEVSTJZSA-N 517.538 4.847 5 40 KJBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c2=O)=N1 409042322 KFAHLBZXBJRTBD-ABBNRAPFSA-N 607.088 4.939 5 40 KJBB Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409163335 PVXJOOWYIZKNBZ-LJQANCHMSA-N 502.984 4.533 5 40 KJBB O=C(CCC(=O)c1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 9062491 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409270499 GUUBGNDMNFXUEU-ABBNRAPFSA-N 592.743 4.665 5 40 KJBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1CCc1ccc(Cl)cc1 1875356 BWKYODHMXDNCEG-IGKIAQTJSA-N 514.969 4.657 5 40 KJBB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 100174503 KONFUVZTEFYUDC-XPCGLTFESA-N 549.992 4.620 5 40 KJBB Cc1ccc(C)c(N2CCN(C(=O)CCCc3nnc4n5nc(-c6ccccc6)nc5c5ccccc5n34)CC2)c1 101501512 ZTRAPXVNXRIUNN-UHFFFAOYSA-N 544.663 4.881 5 40 KJBB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3C2=O)c1 102987681 RSCQZZGYVOKYER-JWGURIENSA-N 555.012 4.919 5 40 KJBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224754803 NKRHCYOZVTXMKF-NDEPHWFRSA-N 628.723 4.826 5 40 KJBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F 225618230 SWZXJBZKSFGRDQ-IZZNHLLZSA-N 530.585 4.921 5 40 KJBB Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408653390 IXIPRHRHGBNEKE-QULSYZCUSA-N 550.398 4.825 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408826728 KPVFPCDGRCQOON-QTTRZTASSA-N 573.627 4.754 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408974548 BJLCFAWUTBDEKO-BIWBSIMWSA-N 573.627 4.674 5 40 KJBB O=[N+]([O-])c1ccc(COc2c(Br)cc(/C=C/c3nc(O)nc(O)c3[N+](=O)[O-])cc2Br)cc1 409389646 QYVHBWNRYVMNBJ-ZZXKWVIFSA-N 568.134 4.979 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(Oc4ccc([N+](=O)[O-])cn4)c(Br)c3)C2=O)o1 409402128 VIYRENWLAAWLNR-PXNMLYILSA-N 577.731 4.671 5 40 KJBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3173264 GFDLVEZHHJGHLH-UHFFFAOYSA-N 510.406 4.575 5 40 KJBB O=c1/c(=C\c2cc([N+](=O)[O-])ccc2O)sc2n1[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 17167034 ZRBFBSWTNHUGRD-AQIZGWBQSA-N 515.978 4.586 5 40 KJBB COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)ccc2[N+](=O)[O-])cc1OC 33355125 JWOFMHYJTXPXSQ-UHFFFAOYSA-N 605.511 4.540 5 40 KJBB CCOc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101672381 YTGUMACEWQRQPH-ZDXQCDESSA-N 568.380 4.508 5 40 KJBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306595 KTJCTARMJUVAOT-UHFFFAOYSA-N 521.530 4.506 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408560567 DJXBHZSOVGFTRR-UHFFFAOYSA-N 515.975 4.716 5 40 KJBB Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409126884 CIKXWJFPRVBASC-FQEVSTJZSA-N 575.489 4.961 5 40 KJBB O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cc3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 1865850 CREJSJSLJSKZNK-UHFFFAOYSA-N 570.557 4.629 5 40 KJBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 2093052 OXUCTGCTQCWWLJ-MHZLTWQESA-N 543.597 4.758 5 40 KJBB biogenic 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409142623 BEUZEGBZTAUCQC-ZWTBYVTRSA-N 645.606 4.624 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 409197588 JLVVEPPRXBOZET-RBXKPUFLSA-N 600.653 4.601 5 40 KJBB Cc1c(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409377686 KKYCVYKCXCVWKE-IWIPYMOSSA-N 518.595 4.955 5 40 KJBB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12546799 BQXOLRKUVXSSJH-ZHACJKMWSA-N 500.386 4.817 5 40 KJBB COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c(OC)c1 95945119 WTAZXBVABRNKPW-SFHVURJKSA-N 500.305 4.959 5 40 KJBB C[C@H](OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccccc1 97947936 WCVQJTROSHNHNX-IBGZPJMESA-N 546.532 4.558 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 215942886 SBDKJEYAUBLETE-UHFFFAOYSA-N 646.103 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 28705913 LCVWJTOYRHDMME-GJFKPFFXSA-N 561.641 4.688 5 40 KJBB CCc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OC)c4)[C@H]3C2=O)cc1 101672427 KMSZUBVANVMKLU-AKFKNWHVSA-N 568.380 4.685 5 40 KJBB COc1c(Br)cc(Br)cc1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 105319018 WWZZYUQXHBIDCQ-UHFFFAOYSA-N 533.604 4.744 5 40 KJBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224652344 HDCLSMOBFZLJSP-QHCPKHFHSA-N 578.691 4.656 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408752554 JVFFUHQAAKNRNP-MFCBUNOESA-N 606.056 4.557 5 40 KJBB O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccc(Cl)cc3)nn12 102619943 MHOQIPDGEULJAT-HMAPJEAMSA-N 526.965 4.780 5 40 KJBB CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1OC 103791157 SGLNKTIEBKKZIG-UQDCTOEPSA-N 539.613 4.634 5 40 KJBB 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CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n[nH]1 409157469 VTVHHAACACRWRC-FQEVSTJZSA-N 582.624 4.603 5 40 KJBB COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C(=O)O)o1 409386263 RWSMSQMBHSLUDS-NHDPSOOVSA-N 510.480 4.710 5 40 KJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(Br)c2)cc1 19856471 GPXLWUNSDALCGT-UHFFFAOYSA-N 518.389 4.808 5 40 KJBB O=[N+]([O-])c1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(Cc3ccccc3)CC2)cc1 22852312 YNGMVELRQFTZOA-QFIPXVFZSA-N 516.583 4.572 5 40 KJBB O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 100368283 ZQVHVQRUYGIVQE-IUXPMGMMSA-N 572.846 4.770 5 40 KJBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224827886 FYQSYUTZBCWFBZ-OAQYLSRUSA-N 617.124 4.704 5 40 KJBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225074103 BDUVBTONXXVJPW-SANMLTNESA-N 621.543 4.832 5 40 KJBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)c2)CC1=O 408672491 VDWYWYTWFVFOSF-BDIZJHJCSA-N 629.625 4.959 5 40 KJBB Cn1c(O)c(C(c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S 409066827 MKVMQTGCUVICAG-UHFFFAOYSA-N 741.440 4.824 5 40 KJBB FC(F)(F)c1nnc2sc3c(Cl)c4nn5c(C(F)(F)F)nnc5sc4c(Cl)c3nn12 4293375 GLUINJDFTGNSMH-UHFFFAOYSA-N 505.216 4.898 5 40 KJBB biogenic CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 33357294 PTIFWAXMLLBUFA-SHNLRAGVSA-N 608.495 4.784 5 40 KJBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cc(Br)ccc1Cl 100380904 RZHVOUFRWPGRFG-UHFFFAOYSA-N 518.220 4.501 5 40 KJBB CCn1c2ccccc2c2cc(NC(=O)C3CCN(c4ccc(S(=O)(=O)N5CCOCC5)cc4[N+](=O)[O-])CC3)ccc21 103012189 YYRDJZURFCPPRL-UHFFFAOYSA-N 591.690 4.599 5 40 KJBB COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] 139146452 KEEPPENSEHSUFB-LMSRTUJASA-N 574.456 4.998 5 40 KJBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222479458 RDUXNSWLLJSZET-MUUNZHRXSA-N 610.733 4.748 5 40 KJBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222831589 VJYPWDMCADUOEK-HXUWFJFHSA-N 587.098 4.776 5 40 KJBB COc1ccc(N(CC(=O)Nc2nnc(SCc3ccccc3)s2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 223260171 VUXXVSKWMRENDE-UHFFFAOYSA-N 585.689 4.890 5 40 KJBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224250634 LGQIMWLNEMWPLT-NRFANRHFSA-N 587.098 4.633 5 40 KJBB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225206287 SUJJQXOJXOJYND-NRFANRHFSA-N 631.549 4.886 5 40 KJBB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225395038 GKMYUNVBWVBCSG-SFHVURJKSA-N 623.515 4.577 5 40 KJBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NC1CCCCC1 260807182 RAJIGWKHTXEMLB-XMMPIXPASA-N 592.718 4.965 5 40 KJBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 408705915 QGSVGCPPVNLXKR-UHFFFAOYSA-N 516.384 4.812 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730989 XLNXPPJZJJVJEE-IGSWSUAKSA-N 549.992 4.620 5 40 KJBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])c1 409331359 BRNYFVJYKIXAQD-UHFFFAOYSA-N 607.670 4.669 5 40 KJBB COc1cc(C(=O)OCc2nc3scc(-c4ccc(Br)cc4)c3c(=O)[nH]2)c([N+](=O)[O-])cc1OC 3455466 JMWIUWSAQWZVFV-UHFFFAOYSA-N 546.355 4.697 5 40 KJBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CN(c3ccc(Br)cc3)c3nc4ccccc4nc32)c1 12524284 WHKNRSHADVBKCL-UHFFFAOYSA-N 512.345 4.605 5 40 KJBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(-c2cccc(Cl)c2)o1 14273782 HFBLTUCROUUEGW-UHFFFAOYSA-N 505.383 4.999 5 40 KJBB O=C1CS[C@@]2(C(=O)N(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c3ccccc32)N1c1ccccc1 104173720 GRXYZIRRTKZJQP-MHZLTWQESA-N 583.592 4.673 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 106711030 QBLUSGXNDZIWRW-UCQKPKSFSA-N 519.535 4.857 5 40 KJBB CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 215019565 VARLQGMFCWXQRF-VCHYOVAHSA-N 521.345 4.536 5 40 KJBB COc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222762862 BQMJEFRCOXKQPM-UHFFFAOYSA-N 519.579 4.577 5 40 KJBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225637085 HWMJWXNLCSQBEI-MHZLTWQESA-N 503.599 4.702 5 40 KJBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O 409194414 LCEGCGRPYSINOT-ZMOGYAJESA-N 549.561 4.866 5 40 KJBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409276638 UOGYXGUATHIIMV-RMORIDSASA-N 598.540 4.574 5 40 KJBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(F)cc3)C2=O)o1 409397963 ALTGHLJAMDRWLG-NVMNQCDNSA-N 574.315 4.548 5 40 KJBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20153192 IJEGKPALJPVHIJ-UHFFFAOYSA-N 500.964 4.728 5 40 KJBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)cc1[N+](=O)[O-] 106728653 OCYAYNFHBFNHLD-UUYOSTAYSA-N 555.546 4.816 5 40 KJBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223569807 GRDYWFNWVVYDJO-OAQYLSRUSA-N 587.526 4.698 5 40 KJBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224007202 LEZVBIBRQLYCNL-IDISGSTGSA-N 549.624 4.546 5 40 KJBB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224023917 DKEYXVDCJRIZEV-HXUWFJFHSA-N 587.098 4.776 5 40 KJBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1[N+](=O)[O-] 409053397 CIFMRFXPQRYHLE-FPMFRTRJSA-N 612.230 4.930 5 40 KJBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409204276 FEEVSLKQSGGEFH-XKZIYDEJSA-N 550.549 4.864 5 40 KJBB Cc1ccc(NC(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 3285692 LKLXBFOKNGMDEJ-FMIVXFBMSA-N 540.532 4.722 5 40 KJBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(-c5ccccc5)c5ccccc5c4=O)c3)CC2)cc1 6289631 WTCNSBUVKVMMOK-UHFFFAOYSA-N 561.598 4.932 5 40 KJBB O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274743 IDXQTCNCDGVQHF-UHFFFAOYSA-N 513.963 4.821 5 40 KJBB O=C1c2ccc(OCOc3ccc4c(c3)C(=O)N(c3ccc([N+](=O)[O-])cc3)C4=O)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 101408373 KHCCBTUAHPCZNH-UHFFFAOYSA-N 580.465 4.520 5 40 KJBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222746227 VDKGYLSROUCXGH-LJQANCHMSA-N 512.390 4.621 5 40 KJBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224796170 LMJPCUCGDNWYBT-UHFFFAOYSA-N 503.964 4.638 5 40 KJBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224861461 XRQDGJZOYDVAAK-QGZVFWFLSA-N 585.510 4.534 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 225049874 AMPQUZPYVLAAPR-SANMLTNESA-N 651.569 4.841 5 40 KJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1cc(Br)ccc1OCc1ccc(F)cc1 408572126 QRBTUWIZJBNOMT-RTFLAGNKSA-N 526.362 4.735 5 40 KJBB Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408672193 ZUTIBEAPKUFKOV-DOLBPCJWSA-N 550.398 4.823 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC 409105170 JNNXHXHCPJKUGU-RGFRMHDHSA-N 586.670 4.589 5 40 KJBB COCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409141306 HOOPTABGPNHFME-VXLYETTFSA-N 523.361 4.628 5 40 KJBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnnn4Cc4ccccc4)cc3s2)c([N+](=O)[O-])c1 409331334 BCIJIOZTGKCKCO-UHFFFAOYSA-N 622.714 4.710 5 40 KJBB COC(=O)c1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 98003587 RLVPOKIOBTYVKJ-UHFFFAOYSA-N 548.558 4.523 5 40 KJBB O=c1/c(=C\c2cc(I)c(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 197695585 ALHJVMNJGXOGHL-PZDOZLBDSA-N 613.458 4.599 5 40 KJBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223474133 UCQJKMWPQLCHDU-WXVAWEFUSA-N 533.625 4.845 5 40 KJBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682576 JRLOIQAONGOUKD-FZDFQQAASA-N 574.549 4.953 5 40 KJBB Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409157046 TZWQELFTJPHUEI-IBGZPJMESA-N 547.435 4.642 5 40 KJBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 409182698 NSAFRDZRKKYQSZ-HXUWFJFHSA-N 530.243 4.955 5 40 KJBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)N1CCN(c2ccccc2)CC1 409198716 KCEOIVJDKMVZCM-NLRVBDNBSA-N 558.616 4.559 5 40 KJBB CCCCn1/c(=N\C(=O)c2c(OCC)ccc3ccccc23)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 2720540 UUDIRXWYJBVLMU-MDVFONAFSA-N 538.604 4.919 5 40 KJBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 8765793 SZKNWAOFNNMBSP-UHFFFAOYSA-N 513.915 4.936 5 40 KJBB COc1ccc(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1OC 70707973 YDOABQAJQHCIGN-UHFFFAOYSA-N 539.544 4.644 5 40 KJBB biogenic COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224188120 PIZGRUMNJIPVBS-VWLOTQADSA-N 519.598 4.537 5 40 KJBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261068235 PERZVHIAIGFPSN-SFTDATJTSA-N 631.549 4.885 5 40 KJBB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 408639772 ZCJJXKKWFYAMJJ-QHCPKHFHSA-N 588.569 4.550 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408976400 QZEOIEUCXMVMEJ-LAUBZIAYSA-N 599.665 4.684 5 40 KJBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409008977 AVRXPCMWNJVFDW-MDBUFAAASA-N 520.947 4.824 5 40 KJBB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c2=O)=N1 100318105 DMEWITSOPUYDRD-VVNKCDPRSA-N 608.028 4.707 5 40 KJBB CCOC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)sc(C)c1C 100766377 NILNZZSEIZWHAH-FKBYEOEOSA-N 521.551 4.501 5 40 KJBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 102893275 NACQJOHCJVBLGN-IARZGTGTSA-N 565.538 4.874 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 163759021 QXOQGHJGJMNCFT-WIEBJJNQSA-N 739.513 4.907 5 40 KJBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223539844 LZXKVEHBXGBATO-XMMPIXPASA-N 570.440 4.521 5 40 KJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224120672 ACGVZZONUGMRTD-MUUNZHRXSA-N 578.691 4.656 5 40 KJBB 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CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260988171 PKTWSTYUIOYWRM-RPWUZVMVSA-N 610.733 4.748 5 40 KJBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409273566 JYFHGLKXMZMSDB-JLKMOJGBSA-N 634.755 4.740 5 40 KJBB Cc1ccc(-n2c(SCC(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)nc3ccccc3c2=O)cc1 3270899 LJUWMVHQEGDTKG-UHFFFAOYSA-N 593.668 4.622 5 40 KJBB CC(C)(C)NC(=O)c1sc2c(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cccc2c1Cl 105303023 NNZGYURKYYQLDT-UHFFFAOYSA-N 576.100 4.955 5 40 KJBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225108744 GATFNYWAVFWRFV-DNQXCXABSA-N 610.733 4.748 5 40 KJBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225447562 CXUKNPOBHRNWAA-MHZLTWQESA-N 601.125 4.571 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730991 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VXRYCCVZPOEGKY-UHFFFAOYSA-N 507.601 4.708 5 40 KJBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 59857857 XPYIJKRQAITSQF-UHFFFAOYSA-N 610.670 4.547 5 40 KJBB CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H]2c3ccccc3C=NN12 103542323 IHDWWOZGCSNCIG-KMDXXIMOSA-N 561.591 4.540 5 40 KJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224435962 NOCUMKDLXKBPEP-HSZRJFAPSA-N 599.537 4.842 5 40 KJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c1)[C@H]1CCCN12 408565154 IBYFFEDPEWMCAI-AWTIUKJOSA-N 534.956 4.882 5 40 KJBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408642815 NXCKXDJURKRBDQ-UHFFFAOYSA-N 584.368 4.900 5 40 KJBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408645112 HKOPGKLXMKRLSF-PLQXJYEYSA-N 572.530 4.711 5 40 KJBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408676213 ALWDQHUIFLWDQY-QYVRTBTHSA-N 602.559 4.635 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409105784 KPFMGXUZMPCYOO-DXUGRCAZSA-N 672.760 4.617 5 40 KJBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 409130375 HGOCXZJSMBMHSF-QFIPXVFZSA-N 510.620 4.681 5 40 KJBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409202077 OOWKKZBSAMBYMX-WSDLNYQXSA-N 660.396 4.848 5 40 KJBB COc1cccc(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)c1 8792203 ZCDGOCDRQQWLII-UHFFFAOYSA-N 509.518 4.635 5 40 KJBB biogenic CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 205688615 SKGMREHUWWZWCA-VCHYOVAHSA-N 551.371 4.544 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733767 QCFDZLLXGVDTLO-QARYAGPDSA-N 543.601 4.583 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408773376 QUBABUUXJXPUSW-BIWBSIMWSA-N 615.689 4.648 5 40 KJBB CC(=O)Oc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408847391 VKPGOHLYISNMHD-FQKMCRJQSA-N 602.466 4.915 5 40 KJBB CCc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409113768 NSTXVHWTXIZYAH-UHFFFAOYSA-N 517.991 4.962 5 40 KJBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 261004864 FSKMLVXTUGKATQ-IDISGSTGSA-N 601.125 4.569 5 40 KJBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408937652 HDEITBGZFJYXGU-IYVASWNSSA-N 606.056 4.557 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409046922 SKCWYWTVOYEXNP-ZTZDSMJYSA-N 874.619 4.971 5 40 KJBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409101066 PFUTWNADLFMLJI-ZDQFFALBSA-N 621.144 4.606 5 40 KJBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 25424666 AHDYZTWZQHCTOJ-UHFFFAOYSA-N 500.327 4.611 5 40 KJBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 163664260 WUJNVCHZDKNVGI-QARYAGPDSA-N 654.495 4.746 5 40 KJBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 205913591 WJYWBIVNXGXEQM-SRZZPIQSSA-N 576.425 4.604 5 40 KJBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN23)cc1 229614708 QKOKFEDFPJKHSQ-QPXUXIHVSA-N 506.356 4.843 5 40 KJBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 408604448 JITUBUSXHKBFBB-RIYZIHGNSA-N 530.493 4.785 5 40 KJBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C1=O 408917756 AVMVGUVAEZPTPM-NFJKTXFASA-N 505.324 4.507 5 40 KJBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC 408938783 SFXBRCLOCFIFLQ-QOYFHJFVSA-N 659.717 4.701 5 40 KJBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1 409033547 FOOUOCSOFPKWJU-LCQSEVKBSA-N 603.653 4.762 5 40 KJBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 409272632 NQMLJCFGAHIJNR-CIAFOILYSA-N 509.496 4.547 5 40 KJBB CC1(C)C[C@H](C(=O)CCC(=O)NC[C@@H](O)COCc2ccccc2)[C@H]1CCc1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 643587537 GAHLBZMHRKSWOP-KWXIBIRDSA-N 562.667 4.623 5 40 KJBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](CCSC)NC(=O)OCc3ccccc3)ccc12 2151727 IERATZDEWWWGDU-QHCPKHFHSA-N 507.564 4.908 5 40 KJBB biogenic O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)n1 3015113 QAHIWIUKONXHMG-UHFFFAOYSA-N 559.450 4.806 5 40 KJBB O=C1[C@@H]2CC(c3ccccc3)=C3[C@@H]4C=C[C@@H]([C@H]5C(=O)N(c6cccc([N+](=O)[O-])c6)C(=O)[C@H]45)[C@@H]3[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 100283031 YFWYOSOEEHFARG-MDQOYHFNSA-N 616.586 4.704 5 40 KJBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 161917713 RMAJJASQEHPHOH-UHFFFAOYSA-N 629.436 4.971 5 40 KJBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260977234 NMPFIPVYFDXBKD-CUNXSJBXSA-N 566.680 4.512 5 40 KJBB COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)CCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408605818 KCZRFSQOMXTXKV-IBGZPJMESA-N 546.045 4.898 5 40 KJBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 409172307 CARXMOGGZNFNKO-GOSISDBHSA-N 523.402 4.878 5 40 KJBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409204143 CEOSUWHQEMDBLR-FYJGNVAPSA-N 500.529 4.562 5 40 KJBB O=C(CN1C(=O)N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O)Nc1ccccc1F 409213660 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