smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 13007349 DLVFDZOBVDXDIP-QHCPKHFHSA-N 436.556 2.424 10 40 IECB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)ccc21 222721380 MWPSCJJJSODFEZ-UHFFFAOYSA-N 441.553 2.301 10 40 IECB O=C1CN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)CCN1 70019260 NREKPAZNSLXEKV-IBGZPJMESA-N 435.528 2.183 10 40 IECB COCCCN1C(=O)/C(=C/c2c(NCCOC)nc3c(C)cccn3c2=O)SC1=S 2373041 FFWUTGNCUMDHOO-QINSGFPZSA-N 448.570 2.299 10 40 IECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(N)=O)C2=O)cc1 409227457 YPYBKHWENZKSCC-MHWRWJLKSA-N 443.843 2.269 10 40 IECB CCOc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1O 9455329 OYOBQWRSHWATHG-JJIJXQAVSA-N 427.486 2.423 10 40 IECB Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9717104 PKLVCCPVZLQUGS-UHFFFAOYSA-N 432.531 2.038 10 40 IECB CN1CCN([C@@H](CNS(=O)(=O)c2ccccc2F)c2ccc3c(c2)CCCN3C)CC1 22735556 FOOFIRYESQVAKL-QFIPXVFZSA-N 446.592 2.475 10 40 IECB O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H]1CCS(=O)(=O)C1 28296946 SSMKPQLSFORPGG-GJSJWPQCSA-N 430.598 2.033 10 40 IECB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 20802397 YMGSUZWZXSUJGB-RBUKOAKNSA-N 425.441 2.209 10 40 IECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCOCC3)ccc21 22734009 NWNARXJSITVWFR-HSZRJFAPSA-N 440.588 2.175 10 40 IECB O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 24002803 XKUWIUWPRJURRD-HWWNHIDJSA-N 431.602 2.412 10 40 IECB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(OC)c1 214685258 DAZUXSWLISTIJL-LDADJPATSA-N 433.530 2.437 10 40 IECB CC(C)OC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33366228 KCUMRLBBVHEZBY-YBEGLDIGSA-N 425.397 2.387 10 40 IECB CC(=O)NC1=NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)S1 408751911 DRJUYFRHGIVXTL-SXGWCWSVSA-N 447.450 2.469 10 40 IECB CCc1nc2ccccc2n1CC(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 25007771 HSOBCKQUROESSO-UHFFFAOYSA-N 436.512 2.499 10 40 IECB COc1ccc(N2CCCN(CC3CCN(C(=O)[C@H](C)N4CCCC4=O)CC3)CC2)cc1 72338560 YQBBWXJXEMLCDY-FQEVSTJZSA-N 442.604 2.457 10 40 IECB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1C 23857598 ATFOXJQLFZUIGQ-QHCPKHFHSA-N 436.556 2.424 10 40 IECB COc1ccc(N2CCN(C(=O)Nc3snnc3C(=O)NCc3ccco3)CC2)cc1 25183932 CKQYUHMSUMPLNO-UHFFFAOYSA-N 442.501 2.424 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)C2=O)cc1 408741919 SOQKUXKXKQBWAJ-ZSOIEALJSA-N 427.369 2.287 10 40 IECB CN(C)c1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCS(=O)(=O)C2)cc1 8846296 YSRZXWGUVXRRMR-IBGZPJMESA-N 447.513 2.256 10 40 IECB CN1C(=O)C(=Cc2cc(Cl)cc(I)c2O)C(=O)N(C)C1=S 59139267 BEEGDQUHTZWFFQ-UHFFFAOYSA-N 436.658 2.249 10 40 IECB CCOc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OS(C)(=O)=O 33457647 AFFCJEVPEBKBRG-ATKYUWIWSA-N 428.879 2.326 10 40 IECB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccccc2F)SC1=S 9302823 VIMCYODAGUHURN-QRTYOACDSA-N 442.559 2.061 10 40 IECB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1OC 13008687 CRUHFVLXAZGARI-HXUWFJFHSA-N 440.544 2.444 10 40 IECB COc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccc5c(c4)OCCO5)n3)CC2)cc1 54146994 RABIPFHOIXRZPX-UHFFFAOYSA-N 449.515 2.299 10 40 IECB CN1C(=O)C(=Cc2cn(CC(=O)NCc3cccs3)c3ccccc23)C(=O)N(C)C1=O 59182385 LQMIVAPFTBDYAZ-UHFFFAOYSA-N 436.493 2.453 10 40 IECB Cn1c(-c2ccccc2)cnc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 22267764 IBFJNSBNNGFYAF-UHFFFAOYSA-N 430.555 2.186 10 40 IECB CCCCN1C(=O)N=C(O)/C(=C\NC[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 103089602 DUZRJVRGWPLIEY-YVGNARHYSA-N 444.488 2.145 10 40 IECB Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 13647854 NTXPRZPDWVIHFV-SFHVURJKSA-N 431.558 2.303 10 40 IECB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/Nn1cnnc1 408534930 RUHGXBBLKJCQSZ-YBFXNURJSA-N 432.484 2.456 10 40 IECB CN(C)CCCN/C=C1\C(=O)N(c2ccc(I)cc2)C(=O)N=C1O 2588667 SKKXAPNAJXMNNR-RAXLEYEMSA-N 442.257 2.140 10 40 IECB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)cc1 10324493 NBIZBWDWNKWMNB-MRXNPFEDSA-N 429.542 2.368 10 40 IECB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCCCN1CCOCC1 33413883 JXTUGRUBLYQQIT-SAPNQHFASA-N 437.562 2.256 10 40 IECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCC 96193603 TWENMSOGKZTXBA-UHFFFAOYSA-N 446.266 2.003 10 40 IECB O=C(O)CCCN1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 2668707 JWDPRDBTJQBYAV-BULTYWGYSA-N 430.507 2.436 10 40 IECB CCCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22999015 ZLCNVDYHWQLWBY-HSZRJFAPSA-N 437.588 2.258 10 40 IECB CCN1CCN([C@@H](c2ccc(N(C)C)cc2)c2nnnn2Cc2ccc3c(c2)OCO3)CC1 22929685 HQZXRZQTMKCQOT-QHCPKHFHSA-N 449.559 2.243 10 40 IECB CN1CCN([C@H](CNS(=O)(=O)c2cc(F)ccc2F)c2ccc(N(C)C)cc2)CC1 23080607 JCUCGDAKMJLVAD-HXUWFJFHSA-N 438.544 2.298 10 40 IECB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 27016617 FGIVIHRGYBTBGM-NJAUWNEGSA-N 430.555 2.448 10 40 IECB COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3OC)OCO4)C(=O)NC2=S)c(OC)c1 409098397 PUWZPAYVJYZBCV-AWNIVKPZSA-N 442.449 2.272 10 40 IECB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc[nH]3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 102443146 PWTPFXKABIHUFE-ZPBCLNFZSA-N 436.537 2.192 10 40 IECB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(OC)c1OC 409195112 TWOSVVBMFNVADS-RIYZIHGNSA-N 442.449 2.242 10 40 IECB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 409390058 DLIDCWFDDYAVMB-XDHOZWIPSA-N 429.436 2.254 10 40 IECB COc1ccc(N2CCN(C(=O)[C@@H](C)N(c3ccc(OC)cc3)S(C)(=O)=O)CC2)cc1 681206 REMMGZUMOFLKGQ-QGZVFWFLSA-N 447.557 2.207 10 40 IECB COc1ccc2c(c1)CCCN2CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 32853385 YNYDYFFQJLSYDK-UHFFFAOYSA-N 443.569 2.122 10 40 IECB CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1O 20207027 HBAHXOLIKIIKGH-AQINLTQESA-N 436.515 2.438 10 40 IECB CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22734104 LYLVLHSKNOZVNA-QHCPKHFHSA-N 436.556 2.370 10 40 IECB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N[C@H]1CCS(=O)(=O)C1 9045895 RBESGAKGOWEJMS-CJAAZZPWSA-N 444.987 2.235 10 40 IECB CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 13632737 NDYUOUCDYWPKTI-UHFFFAOYSA-N 447.557 2.004 10 40 IECB CN(C)c1ccc(CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1 15134976 LVVIMHHPZNADGQ-UHFFFAOYSA-N 443.573 2.139 10 40 IECB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1 33397944 RCZOGNJKUDYZQT-ATVHPVEESA-N 441.871 2.039 10 40 IECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(NCCOCCO)nc12 2712516 RHOLUAHZVHGLQC-PTNGSMBKSA-N 448.570 2.033 10 40 IECB COC(=O)[C@@H](C)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044762 VXNAHUMJGZBIRQ-IQMFZBJNSA-N 446.507 2.466 10 40 IECB COc1cc(-c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3n2)cc(OC)c1OC 2233671 PPXLBOUVBSWOJF-ZDLGFXPLSA-N 438.509 2.458 10 40 IECB COc1cc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc(OC)c1OC 2364226 MJTFSBYILWSRQF-GYBQTFJISA-N 429.541 2.101 10 40 IECB CN1CCc2c(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cccc2C1=O 1673136866 AFEOROURBFFUCB-QGZVFWFLSA-N 435.528 2.338 10 40 IECB NS(=O)(=O)c1ccc(NNC(=S)Nc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 9561740 BGCYEGSTJFXKQD-UHFFFAOYSA-N 433.418 2.157 10 40 IECB C[C@@]1(C(=O)O)N[C@@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4134345 OUEZGDPEORRHDL-ZKNHNOBHSA-N 445.269 2.448 10 40 IECB CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 33633344 SZTMAEBSIXXROH-RQNDZEIBSA-N 440.452 2.496 10 40 IECB O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 71850278 INQARTVEUOKURS-SFHVURJKSA-N 435.571 2.054 10 40 IECB COc1ccc(N2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)cc1 16953826 ZXFNMLIKFYBYOW-MRXNPFEDSA-N 426.542 2.126 10 40 IECB CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 23857720 WPKQNXYOKRSZMK-XMMPIXPASA-N 449.599 2.285 10 40 IECB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2ccccc2F)SC1=S 33543215 VIMCYODAGUHURN-VBTYFWCOSA-N 442.559 2.061 10 40 IECB CCn1cc(/C=C2/SC(N3CCN(S(=O)(=O)c4ccccc4)CC3)=NC2=O)c(C)n1 101406598 VXHPZBJFVZQPGS-QGOAFFKASA-N 445.570 2.188 10 40 IECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2)c2ccc3c(c2)CCCN3C)CC1 22735214 FZSCJZHLWNMEEU-QHCPKHFHSA-N 435.572 2.112 10 40 IECB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2Cl)c2ccc(N(C)C)cc2)CC1 22809697 TZAIRKSRPKIYCY-OAQYLSRUSA-N 443.979 2.449 10 40 IECB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)NC(=S)N=C3O)cc2)cc1[N+](=O)[O-] 2807550 WOFBTTSQZCXBFM-UHFFFAOYSA-N 447.450 2.426 10 40 IECB CN(C(=O)CS(=O)(=O)O)c1ccc(Br)c2c1C(=O)c1ccccc1C2=O 11691567 FOWSHBCQSDGFRO-UHFFFAOYSA-N 438.255 2.075 10 40 IECB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 11437330 FTJFOMPSJWWSBJ-UHFFFAOYSA-N 441.509 2.215 10 40 IECB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NN2CCOCC2)cc1 17101303 VSXOWXWVHVVVOP-HKWRFOASSA-N 437.456 2.465 10 40 IECB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1C 409007253 NGHKKTBNRGATBR-UHFFFAOYSA-N 437.452 2.455 10 40 IECB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 27016607 FGIVIHRGYBTBGM-FCOKVBTJSA-N 430.555 2.448 10 40 IECB CCOC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 33551724 UJZMKCMOQKZVEC-OPCAMPFDSA-N 425.397 2.387 10 40 IECB C[C@H]1CCCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)C1 96018699 ZAOYRMCZDKJOSQ-KPYNCUPYSA-N 447.582 2.465 10 40 IECB COc1ccc(/C=C2\SC(=S)N(CC(=O)NCCCn3ccnc3)C2=O)c(OC)c1 9420847 IKNLZPSEVLPVAJ-YVLHZVERSA-N 446.554 2.308 10 40 IECB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1 13426541 SIZJULJEALQRLA-SDXDJHTJSA-N 433.599 2.425 10 40 IECB CN(C)S(=O)(=O)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 26648286 BCPRUXUDQDHITR-UHFFFAOYSA-N 428.352 2.232 10 40 IECB COc1cccc(Oc2coc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)c1 19371191 ZUPGQWRPDMTWDN-UHFFFAOYSA-N 426.469 2.409 10 40 IECB Cc1c(N/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 100789478 GTXPDVJJPIYSSW-GHRIWEEISA-N 433.493 2.228 10 40 IECB COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)CC2)cc1 224657780 JFQDJBPIWHBVAS-QGZVFWFLSA-N 447.557 2.207 10 40 IECB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)cc1OC 8963952 NCPCPMQLCUEKRZ-IBGZPJMESA-N 426.517 2.054 10 40 IECB CCN(C(=O)CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)[C@H]1CCS(=O)(=O)C1 13574914 KKETXXJBUGVOAD-BUYRESAOSA-N 442.559 2.063 10 40 IECB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)cc3OC)C2=O)o1 107937027 YSGNJTOJXFPAKZ-BOPFTXTBSA-N 441.440 2.004 10 40 IECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\NNc1c(F)c(F)c(F)c(F)c1F 8926241 LWPANUJHQKOPGA-TWGQIWQCSA-N 426.301 2.461 10 40 IECB CN(C)c1ccc([C@H]2C/C(=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)NN2)cc1 13591257 BSBMFOPVXXQCHL-OTZFSBHDSA-N 425.876 2.482 10 40 IECB C[C@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 9429850 KWGTVODLZUDOMP-MDXYNUOPSA-N 434.564 2.259 10 40 IECB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCO2 10113607 FYXDIGWKAWPOMR-UHFFFAOYSA-N 431.514 2.098 10 40 IECB COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 10188288 SYAXIFZQYNQQGF-OAQYLSRUSA-N 438.528 2.431 10 40 IECB CN(C)c1ccc(CN(C(=O)[C@@H]2COc3ccccc3O2)[C@H]2CCS(=O)(=O)C2)cc1 1100572 YCPQPVTUKBLFGX-RXVVDRJESA-N 430.526 2.108 10 40 IECB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33584724 UROQINIMQDOYCG-IGVUGNCQSA-N 442.971 2.358 10 40 IECB O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 13570731 ZJVANMDHZJMKDZ-CKXDQPNJSA-N 442.971 2.358 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1F 22809797 QYNDTVAWFJQHDL-JOCHJYFZSA-N 441.551 2.244 10 40 IECB CCN(CCO)C(=O)CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 8819597 JBCNINIEVSYJGG-SSZFMOIBSA-N 436.555 2.295 10 40 IECB Cc1cc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)ccc1F 22735752 XLPITBWELUNPDY-JOCHJYFZSA-N 433.549 2.478 10 40 IECB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1O[C@H](C)C(=O)O 409233072 DEGIHDRNTOUMEM-BTAWCLGRSA-N 428.372 2.353 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)O)C2=O)cc1 409053306 BVEUITHLMRXKHX-OQLLNIDSSA-N 430.800 2.478 10 40 IECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409251612 AQSQNBXPZYSUCG-UHFFFAOYSA-N 443.843 2.424 10 40 IECB COC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC 12363826 FIJVTSUHJWXYJM-LCYFTJDESA-N 444.440 2.217 10 40 IECB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 20573382 FVDFGMIRFQVUEI-QIPRVMPFSA-N 434.477 2.085 10 40 IECB COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C(=O)NC1=S 98086706 DFHKROBRIVZLLN-LDADJPATSA-N 441.509 2.154 10 40 IECB C[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1F)S(C)(=O)=O 220324622 LYANQMPJMXVZEL-KRWDZBQOSA-N 448.564 2.048 10 40 IECB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 1407307 GSYPIMMAFJYLMT-OQLLNIDSSA-N 443.456 2.108 10 40 IECB CCN(C(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 33527078 CECFNWDEESZLIB-DLEKYWELSA-N 438.596 2.314 10 40 IECB COc1ccc(N2CCN(C(=O)[C@H](C)N(c3ccc(OC)cc3)S(C)(=O)=O)CC2)cc1 681205 REMMGZUMOFLKGQ-KRWDZBQOSA-N 447.557 2.207 10 40 IECB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc2)n1 10121081 BNQGKIDGZZOFHG-UHFFFAOYSA-N 432.458 2.026 10 40 IECB COc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733578 LKCWHVCBZWRRLB-QHCPKHFHSA-N 425.529 2.256 10 40 IECB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(S(N)(=O)=O)cn3C)c2C)cc1 26264843 LJBQIEMWJFSUCB-UHFFFAOYSA-N 429.498 2.428 10 40 IECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCOCC2)cc1 22998853 KNNIAWMYLRNRRT-HXUWFJFHSA-N 432.471 2.159 10 40 IECB COc1ccc(N(CCC(N)=O)CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 32858043 NHKWEBSBCZAKKU-UHFFFAOYSA-N 438.528 2.254 10 40 IECB C[C@]1(C(=O)O)N[C@@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4134346 OUEZGDPEORRHDL-ULMVMLMRSA-N 445.269 2.448 10 40 IECB COc1ccc(N2CCN(c3ncc(S(=O)(=O)c4ccccc4)c(N)n3)CC2)cc1 33301813 YHFDUTURAQANPB-UHFFFAOYSA-N 425.514 2.227 10 40 IECB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1=O 408532196 MCDNQTYSGCKOJB-UKTHLTGXSA-N 427.329 2.090 10 40 IECB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O)Nc1ccc(F)cc1 409142376 KBJONGXVTMHDFJ-PDGQHHTCSA-N 442.422 2.333 10 40 IECB Cc1c(N/C=C2\C(=O)NC(=S)N(C3CCCCC3)C2=O)c(=O)n(-c2ccccc2)n1C 2240807 GIYOZUITKLQMNY-GHRIWEEISA-N 439.541 2.356 10 40 IECB COc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc(OC)c1OC 8828392 XDTXRSLRTGBQNY-AAIQCTMTSA-N 441.483 2.232 10 40 IECB COc1ccc(N2CCN(C(=O)COC(=O)C34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)CC2)cc1 101800858 UDOGQZYAKZNMIT-JSODFGIGSA-N 428.529 2.218 10 40 IECB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1 100423669 OUAQROXQXWFKTR-UNOMPAQXSA-N 446.460 2.125 10 40 IECB COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 16045394 MNGAAOFALZCXGH-OAHLLOKOSA-N 437.949 2.364 10 40 IECB COc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22589436 JCPKERBAKKIGCC-HSZRJFAPSA-N 426.561 2.245 10 40 IECB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)ccc21 225692618 ZXHIUUJOXBKKRP-UHFFFAOYSA-N 433.555 2.398 10 40 IECB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 408617310 COBPASVAELNMIA-KRWDZBQOSA-N 447.557 2.110 10 40 IECB Nc1c(N2CCN(CCO)CC2)cc(NCc2ccco2)c2c1C(=O)c1ccccc1C2=O 20573641 QTKOHKMYLQTQRL-UHFFFAOYSA-N 446.507 2.364 10 40 IECB CN(C)S(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 38177519 GAXRUZUIUFEYNU-WJDWOHSUSA-N 448.888 2.169 10 40 IECB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCOCC4)cc2)CC3)C[C@@H](C)O1 72347256 RLXWCABERUBTKK-HDICACEKSA-N 439.560 2.191 10 40 IECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 2399125 LUDWYMXAAHUFIT-UMEYKSNOSA-N 432.436 2.009 10 40 IECB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CC(=O)N1CCCC[C@H]1CCO 9303095 ULHXNWFFCUIXCH-XGHPXPSOSA-N 434.539 2.380 10 40 IECB COc1ccc2c(c1)CCCN2CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12633202 HXEFNSNIGATVCP-UHFFFAOYSA-N 447.532 2.120 10 40 IECB COc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)cc1 19497868 RWTIOPWXXJGZNM-SBUREZEXSA-N 445.585 2.261 10 40 IECB C[C@H](O)CNCc1cc(I)cc(I)c1O 48277694 FMBMCGIWOXEDFS-LURJTMIESA-N 433.027 2.072 10 40 IECB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(O)c(I)c1 408691990 APCSQMFIOAMPSJ-YRNVUSSQSA-N 426.210 2.401 10 40 IECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1C 17011292 LSDMPXZKEXZMIN-OAQYLSRUSA-N 433.574 2.421 10 40 IECB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OC(C)C 96193605 ZCEGAUDQFCSSLF-UHFFFAOYSA-N 446.266 2.001 10 40 IECB COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1N1CCCC1=O 113949884 NPQZPINDHASPKB-UHFFFAOYSA-N 445.541 2.137 10 40 IECB COc1cccc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1OCC(=O)Nc1ccc(C)cc1 408911638 AORUFNZSIKUROC-LFIBNONCSA-N 439.493 2.278 10 40 IECB COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O 2358154 LKCJGLCFZPFWKA-QINSGFPZSA-N 448.570 2.299 10 40 IECB Cn1c(-c2ccccc2)cnc1SCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9715295 IMSNFSFLZPHBQB-MSOLQXFVSA-N 449.598 2.374 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(C(=O)NC(C)C)c3)CC2)cc1 26112252 VOWTXKRTYNAFGI-UHFFFAOYSA-N 447.557 2.353 10 40 IECB O=C(CCCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33585693 XXTLPGLYXNXQOE-LERPTODRSA-N 440.543 2.234 10 40 IECB CN(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 219695966 QLBGHZXLXMAPNA-UHFFFAOYSA-N 437.949 2.114 10 40 IECB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)cc1 9422626 XIIICCLSJHJTNS-LJQANCHMSA-N 443.569 2.445 10 40 IECB CN1CCN([C@@H](CNS(=O)(=O)c2ccc(F)cc2F)c2ccc(N(C)C)cc2)CC1 23080628 SSJYHYWTMZWEHR-FQEVSTJZSA-N 438.544 2.298 10 40 IECB CCc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccc(OC)cc4)CC3)N2)cc1 8758184 KTOVHHLFBYKLQW-OAQYLSRUSA-N 435.528 2.263 10 40 IECB O=c1[nH]c2ncccc2c(O)c1C(c1ccc(O)c(O)c1)c1c(O)c2cccnc2[nH]c1=O 16430842 MCYXIXUVKZWVSP-UHFFFAOYSA-N 444.403 2.162 10 40 IECB CN1CCN([C@@H](CNC(=O)COc2ccccc2F)c2ccc3c(c2)CCN3C)CC1 22733825 FGEOMBWYYLINFH-QFIPXVFZSA-N 426.536 2.302 10 40 IECB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 409056911 NMWKCEPJORPWOX-AWNIVKPZSA-N 445.771 2.378 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3O[C@@H](C)C(=O)O)C2=O)cc1 409254216 WEIUVNOSXMVZEH-JASJWYONSA-N 440.408 2.222 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1F 22809789 QYNDTVAWFJQHDL-QFIPXVFZSA-N 441.551 2.244 10 40 IECB O=C(O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O 408695156 RAOUJGCULGSSMV-MDWZMJQESA-N 437.246 2.317 10 40 IECB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)NC4CC4)c3)CC2)cc1 15518831 IEZVZNYHKMELFG-UHFFFAOYSA-N 445.541 2.107 10 40 IECB C[C@H](C(=O)NCCc1c[nH]cn1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 9187718 HNBNKCCGYPDGQT-CRZGJZTJSA-N 430.511 2.087 10 40 IECB O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33588977 BLVBLAAPSUBWKO-FYQHACEVSA-N 442.971 2.358 10 40 IECB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(O)c3)c(=O)n2[C@@H]1c1ccccc1 2773485 CMRZGNQOWZOXAP-JKALPCAWSA-N 436.489 2.210 10 40 IECB CCOc1ccc(N2CCN(C3=NC(=O)C[C@@H](C(=O)Nc4ccc(F)cc4)N3)CC2)cc1 25185698 YLLIMEOJANJCKU-FQEVSTJZSA-N 439.491 2.230 10 40 IECB COCCCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2C1=O 13591633 MDKNABFUDMVPEG-UHFFFAOYSA-N 437.496 2.290 10 40 IECB C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cccc4nonc34)cc2)C1 13949125 LDUHRRFDKHQLMS-ZDUSSCGKSA-N 436.515 2.444 10 40 IECB CN1C(=O)/C(=C\c2cn(CC(=O)NCc3cccs3)c3ccccc23)C(=O)NC1=S 409142877 DGOGGSNPYWFXPV-SXGWCWSVSA-N 438.534 2.276 10 40 IECB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\C1=C(C)NN(c2cccc(C(=O)O)c2)[C@@H]1O 72336282 KJOHCUUKUGNRED-DEWISIQVSA-N 448.435 2.349 10 40 IECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1cccc(I)c1 408547065 JWKCZICLNICKNJ-JYRVWZFOSA-N 437.193 2.459 10 40 IECB O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1/N=N\c1ccc(S(=O)(=O)O)cc1[N+](=O)[O-] 13403687 IMUHQHZZOKAAQS-YPKPFQOOSA-N 432.348 2.412 10 40 IECB CN(C(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 33582690 SINMJAHHRCAWRT-JORMNFRLSA-N 438.596 2.314 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)c(OC)c1 408945918 OHCHQHJTVJOIIQ-YUSFRKCESA-N 440.408 2.222 10 40 IECB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(N)=O 409262674 GKPYXRRFZVGUDB-QPEQYQDCSA-N 445.884 2.044 10 40 IECB COC(=O)CNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044664 OKJUYFIQUDVFTF-HSZRJFAPSA-N 432.480 2.077 10 40 IECB CCN1C(=O)[C@@H]2[C@@H](c3ccccc3O)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C1=O 1084521 YDFXQMJFEDEDNF-PWSZPPJVSA-N 433.464 2.205 10 40 IECB COc1ccc(N2CCN(C(=O)Cn3nc(-c4ccccc4OC)ccc3=O)CC2)cc1 95472613 JCHIPKBIISIKTP-UHFFFAOYSA-N 434.496 2.276 10 40 IECB CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc([N+](=O)[O-])c1O 12411358 SKTOYMYEKXZTGW-NVNXTCNLSA-N 446.441 2.153 10 40 IECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1C 22735666 SVTVMCDCYGCOCT-QFIPXVFZSA-N 445.585 2.348 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22734991 NRBDGGCHTMUFRX-XMMPIXPASA-N 449.599 2.421 10 40 IECB COc1ccc(CN2C(=O)NC(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 19997132 PRXYQVNCIDQJBQ-JCMHNJIXSA-N 448.523 2.412 10 40 IECB C[C@@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 9252638 FJZQFXAYGVTOAI-ZCDVYKAHSA-N 442.971 2.357 10 40 IECB O=C(O)[C@@H]1N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 9452315 LAGMNMHQNKPYJG-FXUDXRNXSA-N 431.242 2.058 10 40 IECB NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 89780972 QRLYWMHZLMUNIJ-FPYGCLRLSA-N 436.512 2.111 10 40 IECB Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 23857600 SJYQSRMXNBSECJ-JOCHJYFZSA-N 436.556 2.424 10 40 IECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCOCC3)ccc21 22734088 AKNTXSBUOCHZOA-JOCHJYFZSA-N 428.577 2.007 10 40 IECB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OC 32111768 HUUORBZOCSHWLL-IZZDOVSWSA-N 432.239 2.415 10 40 IECB Cc1ccnc(Sc2oc(C=C3C(=O)NC(=S)NC3=O)cc2Br)n1 409270210 GKTOIZLGOGIFMG-UHFFFAOYSA-N 425.289 2.206 10 40 IECB O=C(O)CCCN1C(=O)C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 9494464 JWDPRDBTJQBYAV-GVYLJPTLSA-N 430.507 2.436 10 40 IECB Nc1cccc(N/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c1 18177778 DVZNZYJKXBMJQO-NTEUORMPSA-N 448.220 2.452 10 40 IECB O=C(O)[C@@H]1N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 20546669 LAGMNMHQNKPYJG-YHUYYLMFSA-N 431.242 2.058 10 40 IECB COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733204 GOXONKQBSCUECZ-QHCPKHFHSA-N 425.529 2.499 10 40 IECB O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33527152 BFFUHYPCNYJIBS-VSXLWIIGSA-N 428.582 2.156 10 40 IECB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(N)=O)cc1 107697143 NADOQFLYZDQHQM-BKUYFWCQSA-N 430.464 2.420 10 40 IECB C[C@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 9348297 QZQTWQGURVLFCJ-KMDONFRSSA-N 442.971 2.357 10 40 IECB COCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2ccc(OC)cc2)CC1 13504267 YVKCXPPCVRNGPU-JOCHJYFZSA-N 438.532 2.248 10 40 IECB O=C(/C=c1\[nH]c(=O)/c(=C\c2ccc(N3CCOCC3)cc2)s1)c1ccc(Cl)cc1 102971115 PEMVVJQBQDEJES-KVVJQUGZSA-N 426.925 2.419 10 40 IECB COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 409111639 DPWAQBKWTDDMHD-UHFFFAOYSA-N 431.558 2.248 10 40 IECB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 9135471 NLSZXQZEDYBJNM-QFIPXVFZSA-N 437.544 2.385 10 40 IECB O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101363912 SLRNLKYCVLLHLA-MJTYITSWSA-N 441.534 2.288 10 40 IECB CCOC(=O)[C@H](C(C)=O)c1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O 11615786 LGPQJVQFKBXFEV-LJQANCHMSA-N 434.470 2.387 10 40 IECB COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1 19930683 ONAIFCPBKLWDIM-UHFFFAOYSA-N 443.569 2.417 10 40 IECB C[C@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 13575826 KWGTVODLZUDOMP-CSFKMWRFSA-N 434.564 2.259 10 40 IECB Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22734489 PGWVWEUQAWFVMY-QHCPKHFHSA-N 449.599 2.339 10 40 IECB COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733279 IBBQPFYNHZSOGV-FQEVSTJZSA-N 425.529 2.499 10 40 IECB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22809728 BRAWNIJERZSXNC-QHCPKHFHSA-N 437.588 2.413 10 40 IECB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 409015577 SOVDVIYTAHBKTL-JXCQQFQQSA-N 426.450 2.378 10 40 IECB COc1ccc(N2CCN(C(=O)CN(C)Cc3ccccc3N3CCOCC3)CC2)cc1 10056884 RWWNNKLKGARJQM-UHFFFAOYSA-N 438.572 2.312 10 40 IECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)O 409045316 GFGQIBZHWAUEPW-NTUHNPAUSA-N 430.800 2.478 10 40 IECB O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 65420152 FDHDRFHYSCVOOM-FQEVSTJZSA-N 443.569 2.240 10 40 IECB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1O[C@@H](C)C(=O)O 409240380 TUXOSLDAPRIQBV-CDDSVFCYSA-N 428.372 2.353 10 40 IECB CN(C(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9253791 MRPUZASDSRPGRD-HRYODUOUSA-N 444.987 2.187 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1C 13007336 ALBXPIQZQMKAFT-HSZRJFAPSA-N 436.556 2.424 10 40 IECB C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 9054123 KBXYGTSJFRYESQ-ZCDVYKAHSA-N 444.987 2.233 10 40 IECB C[C@@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 33538012 LWRYXBSUBVADPG-FAQCGZSSSA-N 442.971 2.357 10 40 IECB O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(N2CCCCS2(=O)=O)c1 222557741 PHFTYVXYVAWMIN-UHFFFAOYSA-N 429.542 2.383 10 40 IECB O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1/N=N/c1ccc(S(=O)(=O)O)cc1[N+](=O)[O-] 6507098 IMUHQHZZOKAAQS-BUHFOSPRSA-N 432.348 2.412 10 40 IECB COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733569 MTDSVJYVDOOLFK-OAQYLSRUSA-N 425.529 2.256 10 40 IECB CCC(=O)Oc1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC 96193348 TWQKLIUPEBHIRR-BOPFTXTBSA-N 443.481 2.464 10 40 IECB CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 223195031 KABDOILUVKAVRZ-UHFFFAOYSA-N 444.601 2.399 10 40 IECB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc(O)c(O)c2)cc1 8995470 QRBWMFIKWRFQBR-JOCHJYFZSA-N 449.463 2.245 10 40 IECB COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22589056 AITAFHYTBUSLGL-QHCPKHFHSA-N 426.561 2.488 10 40 IECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)O 33321685 CCFQPHIAIYSESN-QPEQYQDCSA-N 447.241 2.383 10 40 IECB O=C(O)[C@H]1N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 102779921 UXPNNSRPGORKSY-WCVJEAGWSA-N 431.242 2.058 10 40 IECB C[C@@H](OCc1ccc(N)cc1)C(=O)OCCOC(=O)[C@H](C)c1c(N)cccc1C(=O)O 252011780 SOHHTTDWWLQHGP-ZIAGYGMSSA-N 430.457 2.344 10 40 IECB Nc1nonc1/N=N/N(CC(=O)NC(c1ccccc1)c1ccccc1)c1nonc1N 16477785 KQPKUFMQZUJZMO-WEMUOSSPSA-N 434.420 2.028 10 40 IECB CN1CCN(c2ccc(CNC(=S)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)CC1 225776530 TYCHKOPVDZEXRE-UHFFFAOYSA-N 447.630 2.321 10 40 IECB Cc1ccc(C)c(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 10113343 RINKMFJMRAYRRS-UHFFFAOYSA-N 431.558 2.222 10 40 IECB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NC3CCCC3)c3ccco3)CC2)cc1 56945965 JRUDCRLXRWHDRL-OAQYLSRUSA-N 440.544 2.327 10 40 IECB CN1CCN(c2ccc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)CC1 217022230 WMQJAXNALLIOEP-UHFFFAOYSA-N 436.965 2.393 10 40 IECB CC(=O)NC1=NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)S1 408762152 NHAZRGDSIAUHMT-YBEGLDIGSA-N 447.450 2.469 10 40 IECB O=C(c1cc2ccccc2c(CN2CCN(c3ncccn3)CC2)c1O)N1CCOCC1 13126227 ZECRJFFNQWTASL-UHFFFAOYSA-N 433.512 2.130 10 40 IECB COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCC[C@@H]3C(=O)O)C2=O)cc1 8765611 YXTKCVVGZNQLPQ-ADVGAGMGSA-N 448.522 2.140 10 40 IECB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N(C)C)ccc21 13008598 AVUUIZKXBBOTHX-FQEVSTJZSA-N 438.528 2.198 10 40 IECB COc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733575 LKCWHVCBZWRRLB-HSZRJFAPSA-N 425.529 2.256 10 40 IECB CCOc1cccc([C@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)c1O 15276154 ZELOXWZXUZMIEU-OVCNXMPXSA-N 440.452 2.093 10 40 IECB biogenic,in-vitro COc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 16806243 RKRJVMNIRTWBGT-LJQANCHMSA-N 432.542 2.356 10 40 IECB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 13146847 FWSRMULKCPMERX-UHFFFAOYSA-N 447.557 2.111 10 40 IECB CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22734100 LYLVLHSKNOZVNA-HSZRJFAPSA-N 436.556 2.370 10 40 IECB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998917 AOZGBHUQUFEMEM-NRFANRHFSA-N 440.544 2.198 10 40 IECB COc1cccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)c1O 100138191 RLGWTPZWXAJVMW-NRAIQUKZSA-N 438.480 2.121 10 40 IECB CC(C)NC(=O)CCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383332 LHELWIORFXIGFT-UHFFFAOYSA-N 428.510 2.387 10 40 IECB COc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)O)C(=O)NC2=S)cc1 409188719 FPABVSVQSHSODQ-JASJWYONSA-N 426.450 2.378 10 40 IECB COc1ccc(N2CCN(C(=O)CCCNC(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 12324259 JQIXWQJMLVBQFP-QFIPXVFZSA-N 439.512 2.080 10 40 IECB CCn1cc(/C=C2\SC(N3CCN(S(=O)(=O)c4ccccc4)CC3)=NC2=O)c(C)n1 95101248 VXHPZBJFVZQPGS-AQTBWJFISA-N 445.570 2.188 10 40 IECB O=C(C[C@@H](c1cccnc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 217703404 RKBFVKXUNUXSLV-KRWDZBQOSA-N 446.463 2.087 10 40 IECB biogenic CCOC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 874145 IJSOLHISSQDLQG-DHDCSXOGSA-N 438.392 2.024 10 40 IECB COc1ccc(N2CCN(C(=O)CCCN(C)S(=O)(=O)c3ccccc3)CC2)cc1 219713606 PIGMLBGTETXUQQ-UHFFFAOYSA-N 431.558 2.445 10 40 IECB CC1CCN(C(=O)Cn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3ccccc32)CC1 5945880 VNYMYFLBHCQNLH-UHFFFAOYSA-N 438.553 2.499 10 40 IECB COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)CC(C)C)CC2)cc1 11665900 PCIFZJRWXBDORW-UHFFFAOYSA-N 437.548 2.324 10 40 IECB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N[C@H]3CSC[C@H]3O)C2=O)cc1 54361078 JDVWDXIKGAWIGI-UEIWIWDKSA-N 438.596 2.269 10 40 IECB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NC[C@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 408534458 QXIBUVGMXIWBBU-LTXFRBGYSA-N 438.440 2.310 10 40 IECB CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 9253728 UMMNNRHHTYEDNG-GVIGZQTCSA-N 444.625 2.375 10 40 IECB COc1ccc(-n2nnnc2CN2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 23135257 XLRBDGCVFPSRKT-UHFFFAOYSA-N 441.923 2.352 10 40 IECB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 57151985 XMVGFLMAXJJUFO-UHFFFAOYSA-N 443.459 2.452 10 40 IECB Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N\c1ccc(S(=O)(=O)NC(=N)N)cc1 104201077 FADAWBBSILHYNR-FCQUAONHSA-N 426.462 2.171 10 40 IECB CCN(C(=O)[C@H](C)N1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 62825013 BOSHFUUYXQYLIF-MFJZSDPFSA-N 444.625 2.373 10 40 IECB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\NCCc3c[nH]c4ccccc34)C2=O)c1 101171332 NFOGWLCFLNBYDF-GHRIWEEISA-N 434.452 2.484 10 40 IECB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\N[C@H](CO)Cc1ccccc1 20623332 AGQQNWVLAIOJAU-ZCQLHAAUSA-N 444.285 2.109 10 40 IECB COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22589110 YVHAZSOGXFKUJA-FQEVSTJZSA-N 426.561 2.488 10 40 IECB CCN(CC)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 225565907 MBYCGZNVOSRWRR-UHFFFAOYSA-N 431.558 2.484 10 40 IECB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 409126119 AUIWNJGEOOWLCL-GZTJUZNOSA-N 435.527 2.424 10 40 IECB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 20171181 IYWKNORQGIPWJY-UHOSZYNNSA-N 445.431 2.305 10 40 IECB COc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22589409 UWRYKZXHVJDYLO-NRFANRHFSA-N 426.561 2.245 10 40 IECB COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 105315773 YKIQGMGVBDFIIV-NTUHNPAUSA-N 436.848 2.305 10 40 IECB CN(C)c1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1 9009444 FJGCQGRRYVDQJI-IBGZPJMESA-N 447.513 2.256 10 40 IECB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\C1=C(C)NN(c2cccc(C(=O)O)c2)[C@H]1O 72336281 KJOHCUUKUGNRED-FJZBCQJGSA-N 448.435 2.349 10 40 IECB COc1cccc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1OCc1cccc(C(=O)O)c1 8722228 PDJNYKVQBIKSFE-XNTDXEJSSA-N 426.450 2.229 10 40 IECB COc1ccccc1N1C(=O)/C(=C/NN2CCCC[C@@H]2c2cccnc2)C(=O)NC1=S 9310707 HJMARDKJRNRNCR-FYPAKXHLSA-N 437.525 2.454 10 40 IECB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 10188289 SYAXIFZQYNQQGF-NRFANRHFSA-N 438.528 2.431 10 40 IECB CCCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946006 LWOTXIFIBJDEEI-FQEVSTJZSA-N 428.533 2.184 10 40 IECB CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C1=O)OCO2 409193638 KPAGLYVAEKPANY-VGOFMYFVSA-N 440.433 2.344 10 40 IECB O=C1NC2(c3ccccc3)NC(=O)NC2(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 1833713 JGNSQMYEUVMAEK-UHFFFAOYSA-N 426.432 2.384 10 40 IECB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 9348593 LGQKUNALFBEBNX-MKRLJBPISA-N 440.543 2.234 10 40 IECB CCc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 10113373 QNGGYZXVLFCMQL-UHFFFAOYSA-N 431.558 2.168 10 40 IECB COCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2ccc(OC)cc2)CC1 13504266 YVKCXPPCVRNGPU-QFIPXVFZSA-N 438.532 2.248 10 40 IECB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409060199 YHVLOFPLJJDHJI-UHFFFAOYSA-N 443.843 2.424 10 40 IECB CCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(=O)OC(C)(C)C)c1C 17297261 AZLXQGPRJFXULI-UHFFFAOYSA-N 439.515 2.015 10 40 IECB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccco4)cc3)C(=O)N=C2S1 41077839 MMLUXKCFAFORGA-GODSMQODSA-N 444.450 2.120 10 40 IECB CN1CCN(c2ccc(CNC(=O)CCCN(C)S(=O)(=O)c3ccccc3)cc2)CC1 219730303 NTHOXXWNUAKMOC-UHFFFAOYSA-N 444.601 2.156 10 40 IECB COCCn1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c1C 409230907 GTZNDTKEDWDDQL-LDADJPATSA-N 426.473 2.291 10 40 IECB CN1C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)C(=O)N(C)C1=S 9907487 YJMPZEWPRBTNIX-UHFFFAOYSA-N 427.457 2.442 10 40 IECB COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c(OC)c1 13648358 FZCCJBNGFBCSLA-UHFFFAOYSA-N 447.557 2.386 10 40 IECB COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)cc1 56997546 BHSAEILRWQRLPH-UHFFFAOYSA-N 439.965 2.458 10 40 IECB Cc1cc(C(=O)CN2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 96794927 CEFMMNMWAPZAEO-UHFFFAOYSA-N 441.500 2.455 10 40 IECB CCOc1cc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc(Br)c1OCC 409218950 YVBPUELPAWDKLH-GHXNOFRVSA-N 443.319 2.477 10 40 IECB CN(C)c1ccc(CN(C(=O)[C@@H]2COc3ccccc3O2)[C@@H]2CCS(=O)(=O)C2)cc1 1100573 YCPQPVTUKBLFGX-NQIIRXRSSA-N 430.526 2.108 10 40 IECB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(Br)o3)C(=N)N21 32961256 NZKWRYOLMOKSFI-PPVHLYJCSA-N 431.293 2.442 10 40 IECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccccc1 9290940 HVJQRFXAKCJLPG-NHCUHLMSSA-N 436.512 2.224 10 40 IECB CN1CCN([C@H](CNC(=O)COc2ccccc2F)c2ccc3c(c2)CCN3C)CC1 22733829 FGEOMBWYYLINFH-JOCHJYFZSA-N 426.536 2.302 10 40 IECB COc1cc2c(cc1OC)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C(=O)C2=O 40118718 DOLKVAAVMGCNEV-UHFFFAOYSA-N 425.485 2.159 10 40 IECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCOCC2)cc1 22998796 ZGJKBAWPMMCVGQ-OAQYLSRUSA-N 444.963 2.212 10 40 IECB CCOC(=O)N1CCN(Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)CC1 23819897 CUPBIDXHPSEYLD-UHFFFAOYSA-N 427.501 2.292 10 40 IECB CC(/C=C1\SC(=S)N([C@H]2CC(=O)N(CCC(=O)O)C2=O)C1=O)=C\c1ccccc1 16805944 HCBTZFLBIILROM-LEPCBWBYSA-N 430.507 2.436 10 40 IECB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 20802394 YMGSUZWZXSUJGB-RTBURBONSA-N 425.441 2.209 10 40 IECB CN1CCN([C@H](CNS(=O)(=O)c2ccc(F)cc2F)c2ccc(N(C)C)cc2)CC1 23080626 SSJYHYWTMZWEHR-HXUWFJFHSA-N 438.544 2.298 10 40 IECB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N[C@@H]1CCS(=O)(=O)C1 9045890 RBESGAKGOWEJMS-OJLMPMFISA-N 444.987 2.235 10 40 IECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 23080587 CZCUICRGGNMITI-JOCHJYFZSA-N 432.590 2.028 10 40 IECB Cn1nccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 96222386 KGMLZRKEPRAIQE-SNVBAGLBSA-N 436.376 2.457 10 40 IECB biogenic COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)cc1OC 8963951 NCPCPMQLCUEKRZ-LJQANCHMSA-N 426.517 2.054 10 40 IECB CCN(C(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 13572684 WPABPHYERKCDAZ-BUYRESAOSA-N 442.559 2.063 10 40 IECB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 16678226 LHJFGKVFVYOZKY-UHFFFAOYSA-N 447.557 2.111 10 40 IECB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)N1CCN(c2ccccc2)CC1 409197597 JWMSLYDWJPLFEU-CPNJWEJPSA-N 439.493 2.483 10 40 IECB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)/C(=C/c2ccco2)SC1=S 13574665 XXWXULACFYHBPN-PXNMLYILSA-N 432.479 2.233 10 40 IECB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c[nH]n4c(=O)c5ccccc5nc34)C2=O)cc1C 16312189 FHMUCBKUNDEPHQ-YVLHZVERSA-N 427.420 2.459 10 40 IECB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O 33539590 WUKRBVSZTXXSER-GIJQJNRQSA-N 426.450 2.475 10 40 IECB NS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 36395803 TWEGTISOAHLMKW-WCWDXBQESA-N 445.501 2.499 10 40 IECB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)c1 58373019 CWPPIKNBMOAYIN-UHFFFAOYSA-N 441.484 2.029 10 40 IECB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)ccc21 225324424 KISIVTFEYUSHPY-UHFFFAOYSA-N 429.542 2.301 10 40 IECB COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3SC)CC2)cc1 56997790 DZDDLEAPODBIBZ-UHFFFAOYSA-N 428.558 2.294 10 40 IECB CCOC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 20150344 QHIVQEPFEBLHHD-UWHHFBIGSA-N 435.524 2.173 10 40 IECB O=C(O)[C@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 33582927 ACSYYOFLXJNDKI-PWDRSIHYSA-N 434.495 2.082 10 40 IECB CCN(C)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c1 58158117 OQVXAPWNSLUFAE-UHFFFAOYSA-N 446.573 2.482 10 40 IECB COc1ccc(N2CCN(C(=O)[C@H](C)N(c3cccc(F)c3)S(C)(=O)=O)CC2)cc1 220472055 AFSBIHNAZKUYCF-INIZCTEOSA-N 435.521 2.338 10 40 IECB COc1ccc(N2CCCN(CC3CCN(C(=O)[C@@H](C)Cn4cncn4)CC3)CC2)cc1 72338569 OPHWKCNWTPOXST-FQEVSTJZSA-N 440.592 2.374 10 40 IECB COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)c([N+](=O)[O-])cc1OC 96193379 BUUCQUIVRUVEMA-NVNXTCNLSA-N 446.441 2.066 10 40 IECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1O 13562084 KAEMEHJBNLPEHH-GHXNOFRVSA-N 436.205 2.467 10 40 IECB CNc1nc([C@H]2CCNC2)nc2c1CCN(C(=O)c1cc(N3CCCC3)ccc1OC)C2 257319445 VSOUGCAUHZLHRD-INIZCTEOSA-N 436.560 2.403 10 40 IECB CCOC(=O)COc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 33422875 YYMQUZXVCSBKNY-YBEGLDIGSA-N 426.425 2.107 10 40 IECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)OC(C)C 33672254 QOGRYJQECFGMOO-YVLHZVERSA-N 440.452 2.496 10 40 IECB O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2O)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 170620752 KINCSDVYYXRSBG-KEYYUXOJSA-N 425.319 2.404 10 40 IECB COc1ccc(CCN2C(=O)NC(=O)/C(=C\Nc3cccc(C(=O)O)c3)C2=O)cc1OC 9313370 YNXAUXDQFIZMRA-FOWTUZBSSA-N 439.424 2.019 10 40 IECB O=C(CN1CCCCC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 96905273 WQCZFCWTVWTQEB-BOPFTXTBSA-N 433.555 2.219 10 40 IECB Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3 2145537 PHGJYIOGJQBPGD-UHFFFAOYSA-N 437.521 2.399 10 40 IECB biogenic COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1OC 13008689 CRUHFVLXAZGARI-FQEVSTJZSA-N 440.544 2.444 10 40 IECB CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)CC1 33629299 QLTLKDVDRFESTR-VBKFSLOCSA-N 449.554 2.197 10 40 IECB Cc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc2)nc(C)n1 100937615 YQYLDIRLWXQXSH-UHFFFAOYSA-N 432.458 2.026 10 40 IECB C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O 113966480 KSLZLNYZFNWTGQ-MRXNPFEDSA-N 435.521 2.133 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)cc1 9708730 YCHHEQZCRBYXDT-UHFFFAOYSA-N 427.526 2.041 10 40 IECB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCOCC3)ccc21 22734028 GUWJJHJNVJFUQW-OAQYLSRUSA-N 444.482 2.085 10 40 IECB COc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1OC 23080562 FFGOMEANYHLOEW-JOCHJYFZSA-N 440.588 2.417 10 40 IECB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N[C@@H]1CCS(=O)(=O)C1 9215810 CBTFVYKADSXHAX-PWZGBMQVSA-N 436.580 2.137 10 40 IECB CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22998933 SDUPQNAUCLYDEY-QFIPXVFZSA-N 440.544 2.280 10 40 IECB CN(C(=O)CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9302807 ZVYKZOHDKLSVGF-MKRLJBPISA-N 442.559 2.063 10 40 IECB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 59418538 FOHFWKNHWAEQRB-MTGKDYNDSA-N 437.521 2.457 10 40 IECB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCC(N)=O)SC2=S)cc1 107749134 QXNAWRGLEMXWGF-MHWRWJLKSA-N 443.506 2.106 10 40 IECB COC(=O)CNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044665 OKJUYFIQUDVFTF-QHCPKHFHSA-N 432.480 2.077 10 40 IECB COc1cc(C(=O)NN2C(=O)/C(=C3\C(=O)Nc4ccccc43)SC2=S)ccc1O 1776024 VTZBKVYVWQEIAM-CCEZHUSRSA-N 427.463 2.269 10 40 IECB C[C@@H](C(=O)NCCc1c[nH]cn1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 9187717 HNBNKCCGYPDGQT-FQKZPNAISA-N 430.511 2.087 10 40 IECB COc1cccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O 15277599 RLGWTPZWXAJVMW-YBJWPOLQSA-N 438.480 2.121 10 40 IECB O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 225469209 JKVPCYOFQKNDPV-UHFFFAOYSA-N 443.569 2.240 10 40 IECB CCOC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33859904 TXLOAAZKGZVOFX-YYTPVVGHSA-N 425.397 2.387 10 40 IECB COc1ccc(N2CCCN(CC3CCN(C(=O)[C@@H](C)N4CCCC4=O)CC3)CC2)cc1 72338561 YQBBWXJXEMLCDY-HXUWFJFHSA-N 442.604 2.457 10 40 IECB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(CCOC)C3=O)o2)cc1 98086699 CJCUDEZIAGBZMS-FOWTUZBSSA-N 428.466 2.396 10 40 IECB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCOCC3)C2=O)cc1 1143795 OJMPPCWTFMONEP-SSZFMOIBSA-N 434.539 2.313 10 40 IECB Cc1ccccc1N1C(=O)C(=CNC(C)(CO)CO)C(=O)N(c2ccccc2C)C1=S 2301626 PVSWCCIABZRVEF-UHFFFAOYSA-N 439.537 2.185 10 40 IECB COc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)cc1 19556555 CNQDUSVWHSVURA-HSZRJFAPSA-N 445.585 2.263 10 40 IECB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)cc1 59535857 ZTMVDTBUIQTXBP-UHFFFAOYSA-N 436.898 2.330 10 40 IECB O=C1Nc2ccccc2/C1=c1/sc2n(c1=O)CN(c1ccc(OC(F)(F)F)cc1)CN=2 9409540 LKCPBTLMVXKASJ-NXVVXOECSA-N 446.410 2.014 10 40 IECB CC(=O)[C@H](N=NC1CCC(S(=O)(=O)NB2N=CS2)CC1)C(=O)Nc1ccccc1C 263601532 LFZKXFUHAOGLCE-DQPZFDDXSA-N 449.367 2.334 10 40 IECB COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1Br 408911716 CLZZOBJHMUAUHN-XVNBXDOJSA-N 434.109 2.477 10 40 IECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 109042013 UKASIMRZSGGOFQ-ZENNRRHLSA-N 441.396 2.307 10 40 IECB COc1ccccc1/C=C1/SC(=S)N(CC(=O)NCCCN2CCCC2=O)C1=O 13655542 VMKLOWMBIYIGMR-FOWTUZBSSA-N 433.555 2.025 10 40 IECB COc1cccc([C@@H]2N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O 15277598 RLGWTPZWXAJVMW-GSRZOBFVSA-N 438.480 2.121 10 40 IECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c([N+](=O)[O-])cc1OC 408956897 ZFQJEYWMDUUJHG-LFYBBSHMSA-N 441.352 2.007 10 40 IECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccccc1OC 9762316 FJOMOERGCVNVGA-UHFFFAOYSA-N 426.425 2.301 10 40 IECB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(OC)c1 409189141 IYFTWVGDQABGCK-XNTDXEJSSA-N 442.449 2.242 10 40 IECB COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2283557 MVBAWTHJJQIWRP-UHFFFAOYSA-N 449.488 2.090 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1C 22809709 NGNVUXQGYLMNLG-HSZRJFAPSA-N 437.588 2.413 10 40 IECB CCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 8858059 IGDNXWCZHIRTGC-SQFISAMPSA-N 448.570 2.117 10 40 IECB O=C(O)[C@@H]1N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 9452309 LAGMNMHQNKPYJG-QKPAOTATSA-N 431.242 2.058 10 40 IECB O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)N[C@@H]1CCS(=O)(=O)C1 33558522 CBTFVYKADSXHAX-KXPJREEDSA-N 436.580 2.137 10 40 IECB COc1cc(OC)c(/C=C2/C(=O)NC(=O)N(c3cc(OC)ccc3OC)C2=O)c(OC)c1 9334955 WVJDQSGUPXXIIJ-PTNGSMBKSA-N 442.424 2.396 10 40 IECB CCN(C(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9045735 CECFNWDEESZLIB-WMJYUBJYSA-N 438.596 2.314 10 40 IECB COc1ccc(CC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1OC 22733512 APHYVCHRETZVKN-JOCHJYFZSA-N 439.556 2.428 10 40 IECB CN(C(=O)CCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)[C@H]1CCS(=O)(=O)C1 33543181 ZVYKZOHDKLSVGF-GWQWUEFDSA-N 442.559 2.063 10 40 IECB COc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1OC 23080564 FFGOMEANYHLOEW-QFIPXVFZSA-N 440.588 2.417 10 40 IECB Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(CC(=O)O)C3=O)c(=O)n2c1 33162112 BMNAYDWQTJYEDZ-NTEUORMPSA-N 444.538 2.279 10 40 IECB COc1ccc(N2CCN(C(=O)c3cc(Br)ccc3-n3cnnn3)CC2)cc1 12322359 JMPZHWSUEKVBKW-UHFFFAOYSA-N 443.305 2.396 10 40 IECB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 36594957 MGCXBLGANYGANY-RVGQMOEISA-N 442.559 2.061 10 40 IECB COc1ccc(N2CCN(C(=O)CCCNC(=O)[C@H]3COc4ccccc4O3)CC2)cc1 12324260 JQIXWQJMLVBQFP-JOCHJYFZSA-N 439.512 2.080 10 40 IECB COc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 10113356 OQNRNPFXNJBVKW-KRWDZBQOSA-N 447.557 2.003 10 40 IECB COc1cccc(-n2cccc2/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1 20211434 ITDQPPBNJHUDAW-WOSMYTDYSA-N 429.483 2.107 10 40 IECB COc1ccc(N2CCN(C(=O)c3cc4c(=O)n5cc(C)ccc5nc4n3C)CC2)cc1 96347354 BAXYPACVYUVXKG-UHFFFAOYSA-N 431.496 2.466 10 40 IECB COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 56997792 AWRFEYRHADXVKC-UHFFFAOYSA-N 434.899 2.365 10 40 IECB CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 33633348 SZTMAEBSIXXROH-FMNVXAMXSA-N 440.452 2.496 10 40 IECB CCN(C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 8970828 OKGPVVZOVLOWNP-XTCQQWIJSA-N 444.625 2.375 10 40 IECB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)c1 13566826 OFYGDQRRBJPHOG-AQTBWJFISA-N 437.452 2.207 10 40 IECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(C(=O)OCC)cc3)nnc2n1 16689842 FNJWOTQQAHMFNY-UHFFFAOYSA-N 444.521 2.290 10 40 IECB C[C@@H]1CCCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)C1 96018698 ZAOYRMCZDKJOSQ-FNHQQPGVSA-N 447.582 2.465 10 40 IECB COc1ccc(N2CCN(C(=O)CN3[C@H]4C[C@H]5CC[C@@]4(CS3(=O)=O)C5(C)C)CC2)cc1 101753896 IPVKRZMLTMDTGN-MONBJTKQSA-N 447.601 2.184 10 40 IECB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 22666005 ODKIERFHPHNZLO-FQEVSTJZSA-N 434.518 2.013 10 40 IECB Cc1ccc(C)c(N(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 216934576 KUMCMOIZVBZQFN-UHFFFAOYSA-N 444.601 2.138 10 40 IECB COC(=O)[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 33390113 XQKODWVSKUJYJV-ATTDUZETSA-N 426.425 2.106 10 40 IECB CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998984 WEZCPVXZACRHST-NRFANRHFSA-N 440.544 2.280 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c([N+](=O)[O-])c1 9891921 ZLJVKURBLWYDFB-UHFFFAOYSA-N 437.474 2.132 10 40 IECB CCCCOC[C@](CO)(N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O)OCCCC 102505707 YGEQVLJUCTWZKT-MTPVXSITSA-N 433.505 2.065 10 40 IECB COc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 4456446 HAQFQRXFUKCAFR-SXGWCWSVSA-N 426.425 2.383 10 40 IECB COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)c1 8963842 WCWKOVZVDHFEGT-FQEVSTJZSA-N 426.517 2.054 10 40 IECB Cc1ccc2nc(NCCO)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 13582149 SJQGDZKULYUJJA-DHDCSXOGSA-N 442.522 2.402 10 40 IECB O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 54360687 SLRNLKYCVLLHLA-LXMRNRCJSA-N 441.534 2.288 10 40 IECB Cc1cc(C(=O)OCC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 16685168 MIYSAYOLQAYDCF-IBGZPJMESA-N 430.526 2.429 10 40 IECB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCOCC3)ccc21 23857624 UJEIYGHXCZIGDR-OAQYLSRUSA-N 442.947 2.461 10 40 IECB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 409224415 HOEQOQGLYHGAKZ-YBFXNURJSA-N 429.436 2.254 10 40 IECB COc1ccc(N2CCN(C(=O)[C@@H](C)N(c3cccc(F)c3)S(C)(=O)=O)CC2)cc1 220471996 AFSBIHNAZKUYCF-MRXNPFEDSA-N 435.521 2.338 10 40 IECB CN(C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 33544776 ULQIELKIJKZUTA-MFYHJKBNSA-N 442.559 2.063 10 40 IECB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(N(C)C)c([N+](=O)[O-])c1 38204108 HLBIBFRNBJBQQL-YBEGLDIGSA-N 429.458 2.114 10 40 IECB Cc1cc(C(=O)CSc2nnnn2C(C)(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 16680268 AKLVYQJCQBEFMF-UHFFFAOYSA-N 448.574 2.458 10 40 IECB COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 225930749 XOGYLZKMOQSIQV-UHFFFAOYSA-N 431.558 2.281 10 40 IECB CCN(C(=O)[C@@H](C)N1C(=O)/C(=C\c2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 9420829 UGFHQQJBVRIYNJ-OVLFUESZSA-N 438.596 2.312 10 40 IECB COC(=O)c1ccc(/C=C2\SC(=S)N(CC(=O)NCCCn3ccnc3)C2=O)cc1 9187674 MZFDCBJLFAYTHD-WJDWOHSUSA-N 444.538 2.077 10 40 IECB Cc1cc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)ccc1F 23080644 SUMDKFOZNJHOMZ-JOCHJYFZSA-N 434.581 2.467 10 40 IECB CCOC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230380 QHIVQEPFEBLHHD-FBROZUCGSA-N 435.524 2.173 10 40 IECB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 9429816 BFFUHYPCNYJIBS-KWJWQAOWSA-N 428.582 2.156 10 40 IECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3C(=O)OCC)nnc2n1 27525158 BKHBGFARNHWDJZ-UHFFFAOYSA-N 444.521 2.290 10 40 IECB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1O[C@H](C)C(=O)O 409240379 TUXOSLDAPRIQBV-BVRAVYJCSA-N 428.372 2.353 10 40 IECB COc1ccc(N2CCN(C(=O)COc3coc(CN4CCCCC4)cc3=O)CC2)cc1 44920000 PYVGCTJATLODFD-UHFFFAOYSA-N 441.528 2.362 10 40 IECB COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22733832 GLNWJRPZONRYTG-JOCHJYFZSA-N 438.572 2.171 10 40 IECB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 22735011 XSEUZXIFBSVXGP-DEOSSOPVSA-N 449.599 2.421 10 40 IECB O=C(CCCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33585694 XXTLPGLYXNXQOE-QQFZQELXSA-N 440.543 2.234 10 40 IECB O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 3303513 LSCYUDMSZHVWPA-WJDWOHSUSA-N 436.536 2.456 10 40 IECB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/NCCN1CCCCC1 19996310 ARDOZALLMUVWMM-NTCAYCPXSA-N 426.464 2.413 10 40 IECB COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1OC 22589346 ZEXPTSFVEMDMNR-OAQYLSRUSA-N 426.561 2.488 10 40 IECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(I)cc1 109636252 KVDWTPJGUSZLPN-JYRVWZFOSA-N 437.193 2.459 10 40 IECB CN(C(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)[C@H]1CCS(=O)(=O)C1 33542327 WDALGQFFNUILMG-JGWKKKPCSA-N 444.987 2.187 10 40 IECB O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1cccs1 71850277 INQARTVEUOKURS-GOSISDBHSA-N 435.571 2.054 10 40 IECB COc1ccc(N2CCCN(CC3CCN(C(=O)Cc4nonc4C)CC3)CC2)cc1 72338557 BPKNKBSWLFYJTG-UHFFFAOYSA-N 427.549 2.380 10 40 IECB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 20023875 LAQHVCGTQPCSKM-OQKWZONESA-N 432.524 2.446 10 40 IECB C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 113956724 KWONTVSMWAZOBW-INIZCTEOSA-N 435.521 2.133 10 40 IECB CCN(C(=O)CN1C(=O)/C(=C\c2ccccc2F)SC1=S)[C@@H]1CCS(=O)(=O)C1 33589093 YXNDWSOISUPLKA-GULXKOIASA-N 442.559 2.063 10 40 IECB C[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 216942482 CCHHYKJGWKIRBK-QGZVFWFLSA-N 448.564 2.048 10 40 IECB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)cc1 10324499 NBIZBWDWNKWMNB-INIZCTEOSA-N 429.542 2.368 10 40 IECB COc1cccc([C@@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]23)c1O 35174216 PFTNSCOIHWRMNH-OSAWLIQMSA-N 430.844 2.348 10 40 IECB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408946753 AXTIYBKQXDLFJK-AWNIVKPZSA-N 426.381 2.108 10 40 IECB CN(C(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 13574821 SVKYRVGTZXUIPX-SGZXUYDXSA-N 436.580 2.090 10 40 IECB COC(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 24937959 LMTIAOXRLKGTLU-UHFFFAOYSA-N 429.429 2.118 10 40 IECB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCCC(C)C)c3ccco3)CC2)cc1 56945994 GOSVZYRXPFIFSQ-OAQYLSRUSA-N 442.560 2.430 10 40 IECB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cccc(C(=O)O)c3)C1=O)OCO2 9324323 KWODEZAUSHJCSD-AUWJEWJLSA-N 440.433 2.344 10 40 IECB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2CCN(c3ccccn3)CC2)cc1 12606085 OIYVOTJPLPSSSE-HSZRJFAPSA-N 437.588 2.477 10 40 IECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCC1 16032983 LPHRZKXEPHHPFN-ZPIFVSINSA-N 447.491 2.004 10 40 IECB biogenic CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCOCC3)ccc21 21887066 QSDXBTVAIKZFAX-QHCPKHFHSA-N 442.604 2.398 10 40 IECB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 59437400 BAWYRDXJZQVPDQ-UHFFFAOYSA-N 430.800 2.375 10 40 IECB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCO2 10113627 SNMRQZBMWZEJMY-UHFFFAOYSA-N 445.541 2.140 10 40 IECB CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22998931 SDUPQNAUCLYDEY-JOCHJYFZSA-N 440.544 2.280 10 40 IECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 100791425 MHRGYAIQVKTNNL-AQTBWJFISA-N 431.452 2.372 10 40 IECB O=C(O)[C@H]1N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 102779925 UXPNNSRPGORKSY-UGUYLWEFSA-N 431.242 2.058 10 40 IECB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C)C(=O)O)C2=O)cc1OC 8870148 BMALATDMVISJAB-KBVGCWLLSA-N 438.527 2.275 10 40 IECB COc1ccc(/C=C2\SC(=S)N(CCC(=O)OCCN3CCOCC3)C2=O)cc1 8735640 KZQIOXGKRZMMED-VKAVYKQESA-N 436.555 2.162 10 40 IECB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21 36370522 SPBWALKUCPSXKO-UHFFFAOYSA-N 433.489 2.368 10 40 IECB CN(C(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)[C@@H]1CCS(=O)(=O)C1 33542326 WDALGQFFNUILMG-SJWLEHQBSA-N 444.987 2.187 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 2144365 HLGAQXJPFTVXQZ-SFQUDFHCSA-N 425.416 2.337 10 40 IECB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 13573124 MGCXBLGANYGANY-GURCMLPQSA-N 442.559 2.061 10 40 IECB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408913737 NJROBAMSQHDSSB-RIYZIHGNSA-N 427.438 2.439 10 40 IECB COc1ccc(N2CCN(C(=O)[C@@H](C)N(c3ccc(F)cc3)S(C)(=O)=O)CC2)cc1 218448896 IPCRIZTWKUWULH-MRXNPFEDSA-N 435.521 2.338 10 40 IECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 2399123 LUDWYMXAAHUFIT-XEYRCQSKSA-N 432.436 2.009 10 40 IECB COc1ccc(N2CCN(C(=O)CSc3nnnn3Cc3cccs3)CC2)cc1 9716567 HLLASXVLMVPZNZ-UHFFFAOYSA-N 430.559 2.232 10 40 IECB COCCn1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2ccc(OC)cc2)CC1 19593963 CAFPNUKHOVGMKW-NRFANRHFSA-N 426.496 2.379 10 40 IECB CN1C(=O)C(=Cc2ccc(Sc3nc(=N)ss3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 59488812 WCJAGSIOKTVVTQ-UHFFFAOYSA-N 437.484 2.177 10 40 IECB C[C@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 13572434 FJZQFXAYGVTOAI-VTRAVEPZSA-N 442.971 2.357 10 40 IECB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)O 409223928 GRJDKORIYZYXQY-YGRGUWMTSA-N 426.450 2.378 10 40 IECB CCN(C(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S)[C@H]1CCS(=O)(=O)C1 8972056 YXNDWSOISUPLKA-GRRFOWRYSA-N 442.559 2.063 10 40 IECB CCN(C(=O)[C@H](C)N1C(=O)/C(=C\c2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 9420831 UGFHQQJBVRIYNJ-VAKKOWHLSA-N 438.596 2.312 10 40 IECB CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22734094 UWTSFYSWUKMSMT-HSZRJFAPSA-N 436.556 2.370 10 40 IECB CSc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)N1CCOCC1 223893209 LFMODZASDYZGSL-UHFFFAOYSA-N 449.598 2.425 10 40 IECB COc1ccc(N2CCN(c3ncc4c(=O)n(CCc5c[nH]cn5)ccc4n3)CC2)cc1 13638579 VNWJGYRGQCXWRY-UHFFFAOYSA-N 431.500 2.093 10 40 IECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(Cl)c3)C2=O)cc1 409225136 OULXCGMADRJYMI-OQLLNIDSSA-N 443.843 2.269 10 40 IECB O=C(CCCCCN1C(=O)/C(=C/c2ccco2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 9253410 BUYCHCQZIBPGQV-WZMONFQBSA-N 440.568 2.468 10 40 IECB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl 59679617 VIRXVHLQHSNWLP-LFYBBSHMSA-N 444.783 2.199 10 40 IECB COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 408588535 DBIOVHMWGDAHFR-KRWDZBQOSA-N 447.557 2.028 10 40 IECB CCOc1ccc(N2C(=O)/C(=C\Nc3cc(N)cc(C(=O)O)c3)C(=O)NC2=S)cc1 8386138 RNKNRUJSZLFOPH-YBEGLDIGSA-N 426.454 2.109 10 40 IECB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N[C@H]3CSC[C@@H]3O)C2=O)cc1 54361076 JDVWDXIKGAWIGI-CUZNSMAMSA-N 438.596 2.269 10 40 IECB CCCCN1C(=O)N=C(O)/C(=C\NC[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 103089606 DUZRJVRGWPLIEY-IPJDOKCGSA-N 444.488 2.145 10 40 IECB CCc1cccc2c(/C=C3\C(=O)NC(=S)N(Cc4ccco4)C3=O)cn(CC(N)=O)c12 667043 DWRTWUKCQWKRSX-RQZCQDPDSA-N 436.493 2.109 10 40 IECB Oc1ccc(CN2CCc3c(O)nc(-c4ccncc4)nc3C2)cc1CN1CCOCC1 19292979 NAHVZOKVVLVADB-UHFFFAOYSA-N 433.512 2.340 10 40 IECB COc1ccc(N2CCN(C(=O)CN(c3ccc(F)cc3F)S(C)(=O)=O)CC2)cc1 220084066 RJBFMNPKRQJJAP-UHFFFAOYSA-N 439.484 2.088 10 40 IECB CCN1C(=O)/C(=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)C(C(=O)OC)=C1C 408884697 YYKGCNQQZVKJES-LDADJPATSA-N 430.482 2.451 10 40 IECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O 408938740 RIXDPCYQHPOBHW-NTUHNPAUSA-N 442.340 2.274 10 40 IECB CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(N(C)C)cc3)c(=O)n12 8747278 GOVXDZKTTZWQHH-NQVQUPAYSA-N 433.533 2.341 10 40 IECB CC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(N(C)C)cc3)c(=O)n12 100870509 GOVXDZKTTZWQHH-OWPPJYGBSA-N 433.533 2.341 10 40 IECB COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1 408956022 VRIDDNBTUNBXFI-NTEUORMPSA-N 426.381 2.108 10 40 IECB Cc1ccc(N(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c(C)c1 216934464 DLSBIGZFJGEHAS-UHFFFAOYSA-N 444.601 2.138 10 40 IECB C[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O 220492578 BGCKWOFHCHXERG-KRWDZBQOSA-N 448.564 2.048 10 40 IECB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 9348592 LGQKUNALFBEBNX-QTNMRXCUSA-N 440.543 2.234 10 40 IECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNC(=O)c1ccc(Br)o1 16134541 CBJWURNVKCTKBD-UHFFFAOYSA-N 436.306 2.267 10 40 IECB CCOC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 20150342 QHIVQEPFEBLHHD-UKDJSQQHSA-N 435.524 2.173 10 40 IECB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 13572765 FIRNPQVFRCHFBT-PWZGBMQVSA-N 434.564 2.261 10 40 IECB CC[S@@](=O)c1ccccc1C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 9712522 WKLFGJFAOYVCKB-PMERELPUSA-N 430.526 2.328 10 40 IECB CCNc1nc(NCC)n2c(SC[C@@H]3CN(Cc4ccccc4)CCO3)nnc2n1 16097332 NZCMAMUEDGOQGW-INIZCTEOSA-N 428.566 2.376 10 40 IECB COc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22589415 UWRYKZXHVJDYLO-OAQYLSRUSA-N 426.561 2.245 10 40 IECB O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NCCCn1ccnc1 33544401 WDZHKCCBDNFKSY-BOPFTXTBSA-N 444.538 2.410 10 40 IECB CCN(C(=O)[C@H](C)N1C(=O)/C(=C/c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9429314 BOSHFUUYXQYLIF-ZIYUKDECSA-N 444.625 2.373 10 40 IECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CCCO2)N2CCc3ccccc32)cc1 10188418 XJISUBFOYGVWIT-FYYLOGMGSA-N 436.556 2.268 10 40 IECB COC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 95997436 RPPLHVFAXYTZCK-UHFFFAOYSA-N 442.515 2.276 10 40 IECB COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(CCOC)C2=O)c2ccccc21 409144895 HBHLPBVRQSEGOP-BOPFTXTBSA-N 433.555 2.252 10 40 IECB CCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 12412066 AXKKRESHOVAKIE-UHFFFAOYSA-N 431.558 2.275 10 40 IECB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 409015582 SOVDVIYTAHBKTL-XBUHWIKASA-N 426.450 2.378 10 40 IECB O=C1NC(=O)c2cc(NS(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)ccc21 8835919 POVFWFAGGUSENJ-UHFFFAOYSA-N 432.413 2.146 10 40 IECB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)c(OC)c1 8963900 CZOODTWFDGIWDQ-FQEVSTJZSA-N 426.517 2.054 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1F 22998954 YFKDGUDJXIKRCF-NRFANRHFSA-N 428.508 2.328 10 40 IECB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1ccc(S(N)(=O)=O)cc1 103916502 CXHYBSCAZCYYBD-UYRXBGFRSA-N 443.485 2.071 10 40 IECB COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])C(=O)NC2=S)cc1 9934517 XGRLDBVVCZMNSH-ZSOIEALJSA-N 443.437 2.452 10 40 IECB COc1ccc(N2CCN(C(=O)C[C@@H](NS(C)(=O)=O)c3ccc(F)cc3)CC2)cc1 225947312 BEBXPIATKNMIHI-HXUWFJFHSA-N 435.521 2.164 10 40 IECB COc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 10113357 OQNRNPFXNJBVKW-QGZVFWFLSA-N 447.557 2.003 10 40 IECB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CC(=O)N1CCCC[C@@H]1CCO 9303093 ULHXNWFFCUIXCH-AYCSXLNKSA-N 434.539 2.380 10 40 IECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccccc1I 108252898 PQXGKBSIWHEJJK-FLIBITNWSA-N 437.193 2.459 10 40 IECB COc1cc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc(OC)c1OC 13618540 MJTFSBYILWSRQF-ZEVOCZHWSA-N 429.541 2.101 10 40 IECB COCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2ccc(OC)cc2)CC1 19593964 CAFPNUKHOVGMKW-OAQYLSRUSA-N 426.496 2.379 10 40 IECB COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 409140251 QJGRGPKEUUGZFA-LDADJPATSA-N 431.514 2.191 10 40 IECB COc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 409370115 LJEBYEVVKRIQRP-UHFFFAOYSA-N 429.816 2.116 10 40 IECB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NCCCN2CCOCC2)C1=O 8819325 LRMRGFYVVOHQCL-SDXDJHTJSA-N 449.598 2.125 10 40 IECB CCOc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 408760715 DUBYNSNLSBKUAL-UHFFFAOYSA-N 425.466 2.017 10 40 IECB CN(C)c1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCC(C(N)=O)CC2)cc1 1352536 NWTIHUDVYWOKCF-JOCHJYFZSA-N 433.560 2.269 10 40 IECB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OS(=O)(=O)c1ccc(F)cc1 2189159 MSTLGIGFKQTUQT-UHFFFAOYSA-N 448.428 2.036 10 40 IECB COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 1368885 UPCJXPOTQZSYTF-UHFFFAOYSA-N 429.542 2.442 10 40 IECB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)s1 22735876 HFDXKYXUKPKHDB-FQEVSTJZSA-N 434.631 2.316 10 40 IECB O=C(CCCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33538269 PHMBUWLQHBLWSZ-MFYHJKBNSA-N 440.543 2.234 10 40 IECB CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OC(C)=O 96193330 XYPFZTRWYHDTKA-WQRHYEAKSA-N 443.481 2.464 10 40 IECB COCCCN1C(=O)/C(=C\c2ccc(OCC(=O)NC(C)C)cc2)C(C(=O)OC)=C1C 408773289 JVFNWZZEBYFLAN-UYRXBGFRSA-N 430.501 2.299 10 40 IECB CCOc1ccc(N2CN=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n3C2)cc1 1066520 GYYDDUZVBMADDA-NDENLUEZSA-N 425.510 2.209 10 40 IECB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 409102319 RVLLEWLUGHBGNY-ZHZULCJRSA-N 436.468 2.063 10 40 IECB COc1ccc(N2CCN(c3ccc(=O)n(CC(=O)N(C)Cc4ccccc4)n3)CC2)cc1 61719645 YUWOYNIZBLQQQV-UHFFFAOYSA-N 447.539 2.237 10 40 IECB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 222586509 FBAUBJOLKALLFT-UHFFFAOYSA-N 429.542 2.383 10 40 IECB COc1ccc(N2CCN(C(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)CC2)cc1 13568382 CTLCMODIMWXTQB-UHFFFAOYSA-N 439.484 2.088 10 40 IECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 109042019 UKASIMRZSGGOFQ-CDCQXCROSA-N 441.396 2.307 10 40 IECB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 205710220 SCTQNBHDPLJGLY-MHWRWJLKSA-N 435.458 2.419 10 40 IECB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 9348538 UROQINIMQDOYCG-OJLMPMFISA-N 442.971 2.358 10 40 IECB O=C(CN1CCN(c2ncccn2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 58170546 ORJSPHHDIKECLU-UHFFFAOYSA-N 427.464 2.013 10 40 IECB CC(=O)N(C)C1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1 72311887 YJSKVNHDAULBAA-UHFFFAOYSA-N 437.543 2.337 10 40 IECB CCN(C(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 4057846 RQXMHEQTULNDIS-GOSISDBHSA-N 436.505 2.426 10 40 IECB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C(=O)c3ccccc3C1=O)N1CCC[C@H]21 248119021 QXLDGZAVTPKABL-GUDVDZBRSA-N 445.431 2.305 10 40 IECB O=C(CSc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1[N+](=O)[O-])Nc1ccccc1 408989742 ISADVZSHGFMAEW-UHFFFAOYSA-N 426.410 2.075 10 40 IECB Cn1c(-c2ccccc2)cnc1SCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9715302 IMSNFSFLZPHBQB-QZTJIDSGSA-N 449.598 2.374 10 40 IECB CN(C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 13575869 ULQIELKIJKZUTA-MKRLJBPISA-N 442.559 2.063 10 40 IECB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)OCCN1C(=O)CSC1=S 8765648 ICAARLISVBEDNQ-XYOKQWHBSA-N 438.577 2.291 10 40 IECB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC 9295822 UMLNZOUMNDHTSO-LFIBNONCSA-N 440.477 2.468 10 40 IECB CN(C(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)[C@@H]1CCS(=O)(=O)C1 9302858 HWCWPIHXOTVAST-NWFCWYBLSA-N 442.559 2.063 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCCc3ccccc3)CC2)cc1 9570102 WPSJAXXJOBVGNO-UHFFFAOYSA-N 445.585 2.286 10 40 IECB CCNc1nc(NCC)n2c(SC[C@H]3CN(Cc4ccccc4)CCO3)nnc2n1 16097334 NZCMAMUEDGOQGW-MRXNPFEDSA-N 428.566 2.376 10 40 IECB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccc(-n3cnnn3)cc2)cc1 27794482 GANKYSDECPRALC-JOCHJYFZSA-N 436.516 2.315 10 40 IECB CN(C(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 13574825 SVKYRVGTZXUIPX-JDJXIZLWSA-N 436.580 2.090 10 40 IECB COc1cc(-c2nc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n3n2)cc(OC)c1OC 2233670 PPXLBOUVBSWOJF-VCHYOVAHSA-N 438.509 2.458 10 40 IECB CN(C(=O)CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)[C@H]1CCS(=O)(=O)C1 13573223 ZVYKZOHDKLSVGF-QTNMRXCUSA-N 442.559 2.063 10 40 IECB Cc1nn(C)c(Cl)c1/C=C/C(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 21302651 JFKAGQXXEBJEDA-BQYQJAHWSA-N 436.944 2.173 10 40 IECB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N2CCN(C(C)=O)CC2)SC1=S 618254910 JVXCOAIKFUQHRS-OLCHLOJWSA-N 447.582 2.027 10 40 IECB COC(=O)c1cc(Br)ccc1-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 660487 YQJGXCOWDBCCHZ-UHFFFAOYSA-N 435.255 2.410 10 40 IECB O=C(C[C@H](c1cccnc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 217703317 RKBFVKXUNUXSLV-QGZVFWFLSA-N 446.463 2.087 10 40 IECB biogenic CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4nn[nH]n4)c4ccccc34)[C@@H]21 1565524329 GCOWPYFLJXQBJD-OAQYLSRUSA-N 442.483 2.330 10 40 IECB CN1C(=O)C(=Cc2sc(=O)n(-c3ccccc3)c2N2CCCCC2)C(=O)N(C)C1=O 2439480 PRTVRVNASWOYCC-UHFFFAOYSA-N 426.498 2.323 10 40 IECB CN(CCCC(=O)N1CCCC1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383361 HDEXLQAGMCCXAS-UHFFFAOYSA-N 440.521 2.485 10 40 IECB CN(Cc1ccc(OCC(=O)NCc2ccc(N3CCCC3)cc2)cc1)S(C)(=O)=O 13670875 WJZQHGLULVOVFA-UHFFFAOYSA-N 431.558 2.373 10 40 IECB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OCC(=O)O 409093000 YKSHGPDQHNVDAR-WUXMJOGZSA-N 443.275 2.418 10 40 IECB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCC(=O)OC 12868201 ZZLQBUJJHOGVLX-LFIBNONCSA-N 430.457 2.432 10 40 IECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCC3)N3CCOCC3)ccc21 19830599 ZVBGSOAQKBQRPZ-JOCHJYFZSA-N 428.577 2.007 10 40 IECB O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)N[C@H]1CCS(=O)(=O)C1 36589696 CBTFVYKADSXHAX-BOIYSKOKSA-N 436.580 2.137 10 40 IECB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N[C@@H]3CSC[C@@H]3O)C2=O)cc1 54361075 JDVWDXIKGAWIGI-AVZLZDEOSA-N 438.596 2.269 10 40 IECB COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C(=O)NC1=S 2126821 JKHQNIAUCRTAJR-GZTJUZNOSA-N 427.482 2.065 10 40 IECB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3O)C2)c1 9060573 UYTHPRFHYKIFKX-KRWDZBQOSA-N 431.470 2.306 10 40 IECB COc1ccc(N2CCN(C3=N[C@@H](c4cccnc4)n4c(nc(C)cc4=O)N3)CC2)cc1 9265107 ZATHWRDPUXKWMD-OAQYLSRUSA-N 431.500 2.106 10 40 IECB Cc1ccc2c(c1)[C@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 16024886 HCNRHKZZSADFHD-KHTISZTLSA-N 449.507 2.168 10 40 IECB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 22665982 GTXIAOMGSXITNX-LJQANCHMSA-N 434.518 2.013 10 40 IECB O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33588978 BLVBLAAPSUBWKO-OZYJXZHSSA-N 442.971 2.358 10 40 IECB COc1ccc(N2CCCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC2)cc1 83947474 TVBCKQJGWXAKPV-ZJOUEHCJSA-N 432.590 2.460 10 40 IECB C[C@@]1(C(=O)O)N[C@@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19848379 OUEZGDPEORRHDL-KSVNGYGVSA-N 445.269 2.448 10 40 IECB CCOC(=O)c1c(NC(=O)C[C@H](NCCCN(C)C)C(=O)O)sc2c1CCCC2 22997116 XLPASWCYGGXMGC-AWEZNQCLSA-N 425.551 2.127 10 40 IECB COc1ccccc1/C=C1\SC(=S)N(CC(=O)NCCCN2CCCC2=O)C1=O 54360881 VMKLOWMBIYIGMR-VBKFSLOCSA-N 433.555 2.025 10 40 IECB C[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S 1282001 GFPBSQIOWVDDIN-GQCZFKNTSA-N 427.301 2.470 10 40 IECB CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc2)s1 101268483 PAAQDHSKKAIRRY-UHFFFAOYSA-N 438.487 2.033 10 40 IECB COc1ccccc1NC(=O)COc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O 409375449 KVXPIZYXTOMYFA-UHFFFAOYSA-N 429.816 2.116 10 40 IECB CCN(CC)c1ccc(CN2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C2)c(O)c1 12117763 LWMCMKXYLRAPCU-CALCHBBNSA-N 441.576 2.494 10 40 IECB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 13574860 CGPUIQAUKIUJQH-XIXTVHHOSA-N 442.559 2.061 10 40 IECB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 13613253 MRTBQEHDMAWBII-UHFFFAOYSA-N 437.949 2.259 10 40 IECB Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 9868163 PLTXSKKXKBEORW-UHFFFAOYSA-N 431.558 2.394 10 40 IECB COC(=O)[C@H](C)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044767 VXNAHUMJGZBIRQ-NPMXOYFQSA-N 446.507 2.466 10 40 IECB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3F)N3CCOCC3)ccc21 22735714 UWLXURUZUWJVDL-FQEVSTJZSA-N 437.512 2.309 10 40 IECB CN(C(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)[C@@H]1CCS(=O)(=O)C1 13572972 WDALGQFFNUILMG-HRYODUOUSA-N 444.987 2.187 10 40 IECB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1OC 409212015 PDTHOZWWZSCZPG-ZSOIEALJSA-N 425.484 2.011 10 40 IECB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(-n3cnnn3)cc2)cc1 27794479 GANKYSDECPRALC-QFIPXVFZSA-N 436.516 2.315 10 40 IECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)c(Br)c1O 16688137 AIHHPFXIXVZOMU-UHFFFAOYSA-N 434.040 2.065 10 40 IECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1I 409390416 FGWMJWRQVIUPRN-XYOKQWHBSA-N 449.204 2.361 10 40 IECB Cc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 216939446 FRDJYFAEKWXTBB-LJQANCHMSA-N 444.601 2.218 10 40 IECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C(=O)N4CCOCC4)cc3)C2=O)cc1C 408533316 OKTMIVLSMYPRII-XSFVSMFZSA-N 448.479 2.355 10 40 IECB COc1ccc(N2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccccc3F)C(C)C)CC2)cc1 9492191 DBFXNNCQFRWVTJ-NRFANRHFSA-N 449.548 2.486 10 40 IECB O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])c(N3CCCCC3)cc2N2CCCCC2)C(=O)N1 59419054 PJCHHMMQUNWESY-UHFFFAOYSA-N 427.461 2.325 10 40 IECB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33584726 UROQINIMQDOYCG-ZMTLZGASSA-N 442.971 2.358 10 40 IECB COC(=O)c1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)cc1 49004032 ZMJCKTBOQVMTFB-UHFFFAOYSA-N 446.456 2.238 10 40 IECB Cc1coc(NS(=O)(=O)c2ccc(/N=N/c3c(N)n(C)c(=O)n(C)c3=O)cc2)c1C 104090732 UJEUKOLHGLHCGX-QZQOTICOSA-N 432.462 2.092 10 40 IECB CN(c1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1)S(C)(=O)=O 225420453 IFCLQGNYXAMWPS-UHFFFAOYSA-N 434.587 2.406 10 40 IECB Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1 408886074 HUHZIDQSANNVKW-UHFFFAOYSA-N 436.898 2.330 10 40 IECB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(OC)c1OC 409191842 OPIHTLQKMFKQTJ-GXDHUFHOSA-N 442.449 2.242 10 40 IECB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 409214990 ZAPLQCBKIMGLLJ-XNTDXEJSSA-N 425.353 2.358 10 40 IECB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 9720944 FUKLAHRSSWALTQ-COOUDCDJSA-N 435.458 2.419 10 40 IECB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1NC1=NS(=O)(=O)c2ccccc21 19644532 SPCVHRWREZVNSO-UKTHLTGXSA-N 446.491 2.450 10 40 IECB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1C 22809651 WLHYVTLGHPGKNY-QHCPKHFHSA-N 437.588 2.413 10 40 IECB O=C(O)[C@@H]1N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 35876687 UXPNNSRPGORKSY-QKPAOTATSA-N 431.242 2.058 10 40 IECB COc1ccc(N(C)CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 225091780 DRBVNQRLWLSDRR-UHFFFAOYSA-N 431.514 2.153 10 40 IECB Cc1cc(C(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c(C)n1-c1ccc2c(c1)OCO2 9610147 ISINAQASSHKJFN-UHFFFAOYSA-N 444.451 2.458 10 40 IECB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S 8821640 QPDKGXVVCYDNTD-VCHHOEMESA-N 434.495 2.189 10 40 IECB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccccc2F)SC1=S 13573235 VIMCYODAGUHURN-HODWKROWSA-N 442.559 2.061 10 40 IECB COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3=O)CC2)cc1 25480278 YIPSGRUNNLXBMW-IBGZPJMESA-N 425.485 2.167 10 40 IECB CCCCN1C(=O)/C(=C\Nc2c(C(=O)OC)[nH]c3cc(OC)ccc23)C(=O)NC1=S 13570099 QYSLUKHCMOJODZ-RAXLEYEMSA-N 430.486 2.302 10 40 IECB CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998982 WEZCPVXZACRHST-OAQYLSRUSA-N 440.544 2.280 10 40 IECB Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc2c(c1)CCC2 9795570 FPVALQAYNRYMHQ-UHFFFAOYSA-N 431.496 2.213 10 40 IECB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1C 22809658 WLHYVTLGHPGKNY-HSZRJFAPSA-N 437.588 2.413 10 40 IECB Cc1ccc2[nH]c(=O)c(/C=C3\C(=O)NN=C3c3c(O)c4ccccc4n(C)c3=O)c(O)c2c1 100260889 LYSHFAVMQMSYNV-UVTDQMKNSA-N 442.431 2.017 10 40 IECB COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 9491814 MNGAAOFALZCXGH-HNNXBMFYSA-N 437.949 2.364 10 40 IECB COc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)cc1 253594201 RWTIOPWXXJGZNM-HXOBKFHXSA-N 445.585 2.261 10 40 IECB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)CC1 409006239 ZKJRPXCZTQXGRP-NBVRZTHBSA-N 435.440 2.013 10 40 IECB O=C1NC(=S)S/C1=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409375252 HVOBNZNXPJIGJA-MDWZMJQESA-N 443.344 2.176 10 40 IECB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22735746 UWWSAEIQQCOBLE-OAQYLSRUSA-N 433.549 2.478 10 40 IECB NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)o2)cc1 1793569 GTVFZNHKGILTIR-NTEUORMPSA-N 438.508 2.270 10 40 IECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 2245297 ZUPYAIJZYJKEEH-UMEYKSNOSA-N 446.463 2.317 10 40 IECB COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1OC 22589122 GQESYQMZITWDOF-NRFANRHFSA-N 426.561 2.488 10 40 IECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22735657 KBNLREKLVBRHDC-JOCHJYFZSA-N 431.558 2.039 10 40 IECB CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(CCCCCCNC(N)=O)C2=O)cc1 4733291 INBMMJDYSREKKW-SDXDJHTJSA-N 429.521 2.223 10 40 IECB COc1ccc(O)c([C@@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]23)c1 8868201 UEGQDGLWFFLESP-IAGYGMIVSA-N 430.844 2.348 10 40 IECB CCCC(CCC)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 9570048 VHPBUSBTTFSNFF-UHFFFAOYSA-N 425.595 2.480 10 40 IECB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(N4CCN(C)CC4)cc3)ccc21 223868340 XVBIADUXTCSTCX-UHFFFAOYSA-N 442.585 2.216 10 40 IECB CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21 20214971 MUQDJWFTWGXCSO-UHFFFAOYSA-N 444.557 2.362 10 40 IECB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 33542923 MGCXBLGANYGANY-VTTYLAKYSA-N 442.559 2.061 10 40 IECB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(O)=NC2=S)cc1 34106626 AGALQVUDMSBVCS-RVDMUPIBSA-N 427.438 2.486 10 40 IECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N(C)C)ccc21 13008601 AVUUIZKXBBOTHX-HXUWFJFHSA-N 438.528 2.198 10 40 IECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 20291267 ITNHLBODJVTRMS-ZPBCLNFZSA-N 446.463 2.317 10 40 IECB O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3O)C2)C1 604381030 BZSJMNHQZKZBQR-HXUWFJFHSA-N 427.932 2.457 10 40 IECB biogenic,in-vitro COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2n[nH]c(=O)c3ccccc23)C1=O 28629064 MVLQWKXRENOHCX-XNTDXEJSSA-N 438.490 2.478 10 40 IECB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 408617322 COBPASVAELNMIA-QGZVFWFLSA-N 447.557 2.110 10 40 IECB O=C1/C(=C/NCCN2CCNCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1 100431842 OSGKIUAMHPDLLX-FBMGVBCBSA-N 432.553 2.426 10 40 IECB O=C1NC(=S)N(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 9934948 LYNWNQPKHASVRJ-LDADJPATSA-N 437.477 2.053 10 40 IECB Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22809670 IMPOJOMDOJZGHE-JOCHJYFZSA-N 437.588 2.413 10 40 IECB CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O 8858352 KQBPQGNJLRZPND-SQFISAMPSA-N 448.570 2.381 10 40 IECB Cc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c(C)c1 10113342 IOBVLWXUYRWGHD-UHFFFAOYSA-N 431.558 2.222 10 40 IECB CCOC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 12495105 QHIVQEPFEBLHHD-PDFGSZSQSA-N 435.524 2.173 10 40 IECB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22822513 ZUFAKALCLRMBDB-HSZRJFAPSA-N 437.588 2.413 10 40 IECB CN1CCN(c2ccc(CNC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)cc2)CC1 222593980 AZSJRVVSVGEAJL-UHFFFAOYSA-N 442.585 2.298 10 40 IECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CCOCC2)cc1 22998947 AGYIEKJNBXCWBQ-HXUWFJFHSA-N 432.471 2.159 10 40 IECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 100757695 VCAZERSLRQBALC-LVSKKATPSA-N 446.463 2.004 10 40 IECB biogenic COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 225062773 ICTPYMLXFQJVGQ-UHFFFAOYSA-N 449.598 2.386 10 40 IECB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225560180 RKUYWDLQXGNDGQ-UHFFFAOYSA-N 429.542 2.238 10 40 IECB CNCc1cc(C)n(-c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C 13113426 KNLGJLRHNRSSRY-UHFFFAOYSA-N 432.590 2.435 10 40 IECB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)NC(C)C)c3)CC2)cc1 16575477 RDIVIWXPMNZVJQ-UHFFFAOYSA-N 447.557 2.353 10 40 IECB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 20265263 QXLDGZAVTPKABL-OTWHNJEPSA-N 445.431 2.305 10 40 IECB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 408830510 GDBQTVCSEXCEBV-LFIBNONCSA-N 438.392 2.237 10 40 IECB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2ccccc2F)SC1=S 33543216 VIMCYODAGUHURN-RLYUOEPHSA-N 442.559 2.061 10 40 IECB CN1C(=O)/C(=C\c2cn(CC(=O)NCc3ccccc3)c3ccccc23)C(=O)NC1=S 409145880 PCIVXRNMJINAKR-WQRHYEAKSA-N 432.505 2.214 10 40 IECB COc1ccc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)cc1OC 41085292 NRUPXGOOYXULCR-AQINLTQESA-N 436.515 2.351 10 40 IECB CCN(c1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1)S(C)(=O)=O 95482561 OJUFWZTZCGNTRW-UHFFFAOYSA-N 430.574 2.154 10 40 IECB CN(C)c1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCS(=O)(=O)C2)cc1 8846295 YSRZXWGUVXRRMR-LJQANCHMSA-N 447.513 2.256 10 40 IECB CCc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 13670560 QJMPCQZGLWHYMZ-UHFFFAOYSA-N 431.558 2.168 10 40 IECB C[C@H]1O[C@@H](O[C@@H]2CCCc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@@H]1O 5215379 JVCZXJYDGGNFSK-AYQNDCLTSA-N 439.464 2.090 10 40 IECB COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1OC 23857333 XVKAXKKQEWRJPW-OAQYLSRUSA-N 425.529 2.499 10 40 IECB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O 13572757 WUKRBVSZTXXSER-NVMNQCDNSA-N 426.450 2.475 10 40 IECB COc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccccc4)C3)CC2)cc1 585285997 GJYUCJCZSIRVRC-RUZDIDTESA-N 442.556 2.169 10 40 IECB O=C(O)[C@@H]1N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 13555711 LAGMNMHQNKPYJG-CAOSSQGBSA-N 431.242 2.058 10 40 IECB CCN1C(=O)/C(=c2\o/c(=C3\C=Cc4ccccc4N3CC)c(=O)n2CC)SC1=S 100505509 AFZHBOCOJJHNFN-RGNITQOASA-N 427.551 2.111 10 40 IECB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCC(=O)O)c4ccccc34)[C@@H]21 1565524483 IPBPLSWMCGUVCB-HSZRJFAPSA-N 432.480 2.379 10 40 IECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=S)Nc2ccccc2)C1=O 13512643 ISFMFSIZKCSPDI-WYMLVPIESA-N 425.470 2.043 10 40 IECB COc1cc(-c2nc3sc(=Cc4ccc(N(C)C)cc4)c(=O)n3n2)cc(OC)c1OC 254812627 PPXLBOUVBSWOJF-UHFFFAOYSA-N 438.509 2.458 10 40 IECB CCN(C(=O)[C@H](C)N1C(=O)/C(=C\c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9420830 UGFHQQJBVRIYNJ-HYIULROMSA-N 438.596 2.312 10 40 IECB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCN2CCOCC2)cc1 27017449 DRYCIULIVDEOQZ-FCDQGJHFSA-N 436.556 2.362 10 40 IECB O=C1NC(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1 59419057 GDJAIUFDLDOTAC-UHFFFAOYSA-N 443.529 2.490 10 40 IECB CCN(CC)c1ccc([C@H]2NC(=O)N([C@@H]3CCS(=O)(=O)C3)C(C)=C2C(=O)OC)cc1 32665993 QIDYJQSQKNXSLJ-IEBWSBKVSA-N 435.546 2.233 10 40 IECB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408912793 SAIPPQZLFKRNAR-OQLLNIDSSA-N 426.450 2.229 10 40 IECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 409225715 OFBGLIMEOCDGDP-UHFFFAOYSA-N 429.816 2.116 10 40 IECB CC(=O)NC1=NC(=O)/C(=C/c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)S1 408754128 DOPAYTQQKNLZKT-SXGWCWSVSA-N 447.450 2.469 10 40 IECB COc1ccc(C(=O)Cn2nc3c(cc2=O)CN(c2ccc4c(c2)OCCO4)CC3)cc1 19553036 VHIMVXVSUWZISD-UHFFFAOYSA-N 433.464 2.469 10 40 IECB COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1Cl 223862695 HQARLVUESBPSIP-UHFFFAOYSA-N 437.949 2.357 10 40 IECB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 41077713 WGBQLYKXLJISIJ-GHZHVEGCSA-N 444.450 2.266 10 40 IECB COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc(OC)c1O 102463811 GUOCQDJBIDXXLY-DEOCGYTFSA-N 443.485 2.041 10 40 IECB CCN(CCO)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OC)C2=O)cc1 8926042 MAFHLEFYCKEWQO-UYRXBGFRSA-N 439.468 2.189 10 40 IECB CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)c([N+](=O)[O-])c1 408718217 BVLRVDVYSGQVLA-UHFFFAOYSA-N 427.369 2.465 10 40 IECB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 654468 KUNBQYRGLAKRLX-CNJGYECJSA-N 442.512 2.442 10 40 IECB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCOCC3)ccc21 22734061 LWPLWNQHHBHFEZ-NRFANRHFSA-N 444.482 2.085 10 40 IECB O=C(O)[C@@H]1N[C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 106937967 SRLOIPDJEPYJRI-CAOSSQGBSA-N 449.232 2.197 10 40 IECB COc1ccc(N2CCN(CC3(O)CCN(c4cccc(C)c4)CC3)[C@H](C(N)=O)C2)cc1 257328018 XDTZFBVOLJCIKJ-QHCPKHFHSA-N 438.572 2.011 10 40 IECB COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(CC(=O)O)C1=O 409331267 NHZCUFJUQVLBQN-WZUFQYTHSA-N 446.300 2.287 10 40 IECB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 13676250 DXODHHXGIDVSEE-UHFFFAOYSA-N 432.502 2.277 10 40 IECB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 20573380 FVDFGMIRFQVUEI-FXFXYLOPSA-N 434.477 2.085 10 40 IECB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734249 KIOQCSFAMAMCMN-HSZRJFAPSA-N 435.572 2.031 10 40 IECB COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)NC4CCCC4)co3)CC2)cc1 56949821 ORBWYSJPXDEUKA-UHFFFAOYSA-N 441.528 2.408 10 40 IECB C[C@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 36589791 LWRYXBSUBVADPG-KWTWYFBESA-N 442.971 2.357 10 40 IECB COc1cccc(N([C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 220179126 FQWXWKTZAIFUMK-QGZVFWFLSA-N 447.557 2.003 10 40 IECB COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 409375696 OBDBCMNZVDTVSD-UHFFFAOYSA-N 445.884 2.280 10 40 IECB COc1cccc(OC)c1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733276 IBBQPFYNHZSOGV-HXUWFJFHSA-N 425.529 2.499 10 40 IECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1cccc(C)c1C 409265794 PGEGWWFTTUUPEQ-UHFFFAOYSA-N 439.493 2.244 10 40 IECB Cn1c(=O)n(C)c2cc(N/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)ccc21 408533779 PCOPPUJGIBUBLI-UVTDQMKNSA-N 425.832 2.109 10 40 IECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1cc(C)ccc1C 409258088 WITIYSMXYGMFGE-UHFFFAOYSA-N 439.493 2.244 10 40 IECB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4nn[nH]n4)c4ccccc34)[C@H]21 1565524327 GCOWPYFLJXQBJD-NRFANRHFSA-N 442.483 2.330 10 40 IECB Cn1c(=O)n(C)c2cc(N/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)ccc21 13566770 ZTNVCZVCEODZNA-UVTDQMKNSA-N 425.832 2.109 10 40 IECB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NCCO)cc1 16312058 JIWJZUHLVLPIOI-DEDYPNTBSA-N 428.514 2.293 10 40 IECB CCOc1ccc(NC(=O)N2CCN(Cc3nnnn3-c3ccc(OC)cc3)CC2)cc1 23135245 YXDFOUJWMMVCBH-UHFFFAOYSA-N 437.504 2.419 10 40 IECB CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9253725 UMMNNRHHTYEDNG-XTCQQWIJSA-N 444.625 2.375 10 40 IECB CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)CC1 9444568 NAPSBEYPGDBVNN-FOWTUZBSSA-N 449.554 2.197 10 40 IECB COC(=O)c1c(C)sc(-c2c(-c3ccc4c(c3)OCO4)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O 12372147 PATPCXPYQKSOJB-UHFFFAOYSA-N 441.421 2.469 10 40 IECB CCOC(=O)c1c(NC(=O)C[C@@H](NCCCN(C)C)C(=O)O)sc2c1CCCC2 22997113 XLPASWCYGGXMGC-CQSZACIVSA-N 425.551 2.127 10 40 IECB C[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 216942465 CCHHYKJGWKIRBK-KRWDZBQOSA-N 448.564 2.048 10 40 IECB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 200259845 VAIQKVMGGMOFJZ-PHJXOXRPSA-N 448.548 2.259 10 40 IECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccccc1 9290942 HVJQRFXAKCJLPG-LEWJYISDSA-N 436.512 2.224 10 40 IECB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 248119025 QXLDGZAVTPKABL-IPMKNSEASA-N 445.431 2.305 10 40 IECB COc1ccc(CN2C(=O)NC(=O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 100778186 PRXYQVNCIDQJBQ-PXLXIMEGSA-N 448.523 2.412 10 40 IECB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N3CCCC3)ccc21 8964067 LYNZBSKDSJOPMZ-HXUWFJFHSA-N 436.512 2.299 10 40 IECB CN1C(=O)C(=Cc2cn(CC(=O)NCc3ccccc3)c3ccccc23)C(=O)N(C)C1=O 6287803 LZKBMHGNXJSZHD-UHFFFAOYSA-N 430.464 2.392 10 40 IECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1C(=O)O 10038288 LRVNIEAWGYDPTI-LFIBNONCSA-N 438.392 2.237 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccccc3SC)CC2)cc1 9570108 NGKCLCYBUAOZBK-UHFFFAOYSA-N 449.598 2.299 10 40 IECB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC=C3C(=O)N(C)C(=S)N(C)C3=O)c12 9061122 HZECCQFKRHGWMV-UHFFFAOYSA-N 444.513 2.183 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C)cc(C)c3)CC2)cc1 9570062 SHJXXQFXYGBUOM-UHFFFAOYSA-N 431.558 2.194 10 40 IECB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 200259809 VAIQKVMGGMOFJZ-LUDQZLGDSA-N 448.548 2.259 10 40 IECB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)O 33525534 SULSBDTYEXEEEZ-ZSOIEALJSA-N 447.241 2.383 10 40 IECB CS(=O)(=O)Oc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 33911965 SEKHTFNFTZJYEN-PYDVBCTCSA-N 427.467 2.087 10 40 IECB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)NCc1ccco1 409211746 MXMGZSZRIXAPNL-PDGQHHTCSA-N 427.482 2.469 10 40 IECB COc1ccc(N2CCN(C(=O)c3ccccc3Cn3ccnc3)[C@H](C(=O)N(C)C)C2)cc1 1848353143 JOUJTNIFRBLCJL-QHCPKHFHSA-N 447.539 2.359 10 40 IECB Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(=O)n2c1 1892612 VNGCRACKZBMWLY-MLPAPPSSSA-N 432.527 2.357 10 40 IECB CSc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1 102477060 QOROKRAQOYHGRT-IUUVDYQKSA-N 429.527 2.277 10 40 IECB CCn1c(=O)c(C2=NNC(=O)/C2=C\c2cc(OC)c(O)c(OC)c2)c(O)c2ccccc21 103506859 CKAGPGODUAQJAR-ZROIWOOFSA-N 435.436 2.367 10 40 IECB COc1ccc(N2C(=O)/C(=C\NN3CCOCC3)C(=O)N(c3ccccc3)C2=S)cc1 9292333 PZGGTPCZEHIAFM-CYVLTUHYSA-N 438.509 2.081 10 40 IECB COc1ccc(OC)c(/C=C2\SC(=S)N(CC(=O)NCCCn3ccnc3)C2=O)c1 9421114 BLZGUNRBQGRXBI-BOPFTXTBSA-N 446.554 2.308 10 40 IECB COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1O 9354499 BRJSOLYVLFDCOG-QUSDIPOHSA-N 427.486 2.423 10 40 IECB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NN2CCN(C)CC2)cc1 12651855 GKXNSKKMKMDCGN-XLNRJJMWSA-N 435.528 2.481 10 40 IECB CN1CCN(c2ccc(CNC(=O)c3cccc(N4CCCCS4(=O)=O)c3)cc2)CC1 222564723 MVFDNOYQGZPLDU-UHFFFAOYSA-N 442.585 2.298 10 40 IECB O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33584917 LGQKUNALFBEBNX-GWQWUEFDSA-N 440.543 2.234 10 40 IECB COc1cc2[nH]c3c(=O)n(CC(=O)NCc4ccc(N(C)C)cc4)cnc3c2cc1OC 35423696 YLQSTIKGHXPIRE-UHFFFAOYSA-N 435.484 2.277 10 40 IECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(O)c(I)c1 409391822 JXDOTODDPYBQFO-YRNVUSSQSA-N 435.177 2.058 10 40 IECB O=C(O)CN1C(=O)/C(=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)c2ccccc21 8821919 AAWPWKKUFQLVRC-VXPUYCOJSA-N 448.504 2.281 10 40 IECB COC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1OC 9065944 WKQUWUXWNVLDHX-YBEGLDIGSA-N 440.477 2.387 10 40 IECB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 30756248 YITQYWSEUMCNBS-UHFFFAOYSA-N 434.537 2.355 10 40 IECB CN1C(=O)C(=Cc2cc(Cl)c(OCC(=O)O)c(Br)c2)C(=O)N(C)C1=S 59139412 SKXNMRXROZIKPK-UHFFFAOYSA-N 447.694 2.165 10 40 IECB COc1ccc(N2CCN(C(=O)CNc3ccc(OC)c(N4CCOC4=O)c3)CC2)cc1 78932088 NZOATRTWDHLJTP-UHFFFAOYSA-N 440.500 2.421 10 40 IECB COCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N(c2ccccc2)C1=O 409020296 NPQRBCMUPANRBA-SDXDJHTJSA-N 425.441 2.141 10 40 IECB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 9109003 IYWKNORQGIPWJY-WDSOQIARSA-N 445.431 2.305 10 40 IECB O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101363917 SLRNLKYCVLLHLA-PTEAOKNESA-N 441.534 2.288 10 40 IECB COc1ccc(OC)c(N2C(=O)/C(=C/Nc3ccc(NC(C)=O)cc3)C(=O)NC2=S)c1 13810117 SGCOMXKBWOAWSL-LFIBNONCSA-N 440.481 2.406 10 40 IECB CN(C)c1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(C)(=O)=O)cc1 9382214 FTNCSVSAQWHUNN-LJQANCHMSA-N 436.559 2.235 10 40 IECB Cc1cccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1C 10113359 LUJDDJWKHDIONT-UHFFFAOYSA-N 431.558 2.222 10 40 IECB COc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1NC(C)=O 13007766 PQEPBDIDWPCQCK-UHFFFAOYSA-N 447.922 2.479 10 40 IECB NS(=O)(=O)c1ccc(-n2cccc2/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 16398898 CDVOVZOQGCBTJN-PDGQHHTCSA-N 442.884 2.240 10 40 IECB COc1cc([N+](=O)[O-])ccc1NN/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408532060 LVSWHYNHWJQFNT-PKNBQFBNSA-N 431.792 2.340 10 40 IECB COCCn1nnnc1[C@@H](c1ccccc1F)N1CCN(c2ccc(OC)cc2)CC1 19594106 AMWULVVGZNXILB-OAQYLSRUSA-N 426.496 2.379 10 40 IECB Cc1ccc(N2NC(=O)/C(=C\c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1C 32099397 SWDUJXJXLHWATK-DEDYPNTBSA-N 436.493 2.203 10 40 IECB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCOCC3)ccc21 22734058 LWPLWNQHHBHFEZ-OAQYLSRUSA-N 444.482 2.085 10 40 IECB CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22734424 RCMVBEQAAAWJRM-XMMPIXPASA-N 449.599 2.285 10 40 IECB Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22734521 XWTXKBHFAOWYDK-QHCPKHFHSA-N 435.572 2.031 10 40 IECB Cn1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cn1 96220915 HZBVFOJFOUNIPO-LLVKDONJSA-N 436.376 2.457 10 40 IECB biogenic COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 409050114 YYEXPRAXWVTSFB-UHFFFAOYSA-N 429.816 2.116 10 40 IECB O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33584918 LGQKUNALFBEBNX-MFYHJKBNSA-N 440.543 2.234 10 40 IECB O=C(O)[C@H]1N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 102779928 UXPNNSRPGORKSY-FZKCQIBNSA-N 431.242 2.058 10 40 IECB CCN1C(=O)/C(=C/c2c(C)c3cc4c5c(c3oc2=O)CCCN5CCC4)C(=O)NC1=S 2154027 FDTAWLVUSFQGGJ-GZTJUZNOSA-N 437.521 2.447 10 40 IECB biogenic CC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(N(C)C)cc3)c(=O)n12 100870506 GOVXDZKTTZWQHH-VEOJJLNRSA-N 433.533 2.341 10 40 IECB COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)CC2)cc1 3555644 GOQUUGYGRAWTES-VWLOTQADSA-N 448.523 2.127 10 40 IECB O=C(O)CCCCN1C(=O)/C(=C/N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)SC1=S 8764905 DFGQAXWJOJKGKL-ANPXMQTQSA-N 433.555 2.224 10 40 IECB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734547 SXWNIAZQZTWTKB-XMMPIXPASA-N 449.599 2.339 10 40 IECB COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 16914700 WQYVCMAGVUPRPJ-LJQANCHMSA-N 437.537 2.252 10 40 IECB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733913 HMDHRKPEXCMHAK-HSZRJFAPSA-N 436.556 2.424 10 40 IECB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22735749 UWWSAEIQQCOBLE-NRFANRHFSA-N 433.549 2.478 10 40 IECB COc1ccc(N2CCN(c3ccc(=O)n(CC(=O)NC4CCCCCC4)n3)CC2)cc1 61717998 OFOGBDKOGSQYPB-UHFFFAOYSA-N 439.560 2.418 10 40 IECB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 100119079 LTWRYPVZOXYTGW-NRFANRHFSA-N 437.496 2.326 10 40 IECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)N2CCc3ccccc32)cc1 10188416 XJISUBFOYGVWIT-JTHBVZDNSA-N 436.556 2.268 10 40 IECB CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 22999039 HSYQDKZVUXSZLQ-JOCHJYFZSA-N 441.551 2.007 10 40 IECB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCOCC3)ccc21 22734037 JPQCODHHFROJQK-NRFANRHFSA-N 444.482 2.085 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2=O)cc1 408533043 NXNYVOYVWUQYFI-DHDCSXOGSA-N 427.329 2.090 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccccc3Cl)CC2)cc1 9570070 YGDKERIDLXZBGR-UHFFFAOYSA-N 437.949 2.230 10 40 IECB COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 13008523 WNKKNNVNRVHDTN-NRFANRHFSA-N 440.544 2.444 10 40 IECB CCN(C(=O)[C@@H](C)N1C(=O)/C(=C/c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 13575178 BOSHFUUYXQYLIF-KMEGAEJISA-N 444.625 2.373 10 40 IECB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734544 SXWNIAZQZTWTKB-DEOSSOPVSA-N 449.599 2.339 10 40 IECB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)c2ccc(N(C)C)cc2)CC1 22809589 FEAUUUGLLLSKCC-OAQYLSRUSA-N 443.979 2.449 10 40 IECB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC=C3C(=O)N(C)C(=O)N(C)C3=O)c12 9302919 DXCIJAPAISMOGO-UHFFFAOYSA-N 428.445 2.018 10 40 IECB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 12311632 QIVQOJQDSYQEEF-UHFFFAOYSA-N 442.427 2.374 10 40 IECB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)N2CCOCC2)cc1 16398896 WRMRWOOFRXVBDM-UNOMPAQXSA-N 441.871 2.039 10 40 IECB CC(C)OC(=O)COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33675945 UQIFQSQYRWAMGN-BOPFTXTBSA-N 425.397 2.387 10 40 IECB CCc1ccccc1N(CC(=O)NCc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 216934919 OYDVXVGMPSZSNZ-UHFFFAOYSA-N 444.601 2.083 10 40 IECB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OC(=O)c1ccccc1 408897308 RIPFTWWFVKDVDJ-UHFFFAOYSA-N 445.225 2.426 10 40 IECB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN1CCN(c2ccc(OC)cc2)CC1 12470910 GIFDLESOSQKUBK-UHFFFAOYSA-N 442.535 2.121 10 40 IECB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/NCCCN1CCCCC1 20289950 ZBHLDVFBICFJMI-DTQAZKPQSA-N 435.322 2.381 10 40 IECB CCCN1C(=O)/C(=C/c2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 2374022 MHLRALGXAOLCLQ-PEZBUJJGSA-N 443.598 2.448 10 40 IECB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCC(=O)O)C2=O)cc1OC 8870145 JVINUFWGENZRPP-RVDMUPIBSA-N 438.527 2.276 10 40 IECB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 224325278 MEUCLMLIXWFLTG-QGZVFWFLSA-N 447.557 2.003 10 40 IECB COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)CC2)cc1 224657830 JFQDJBPIWHBVAS-KRWDZBQOSA-N 447.557 2.207 10 40 IECB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c(OC)c1 22733497 PUEZUSXEANJBAF-QFIPXVFZSA-N 425.529 2.499 10 40 IECB Cc1cccc(N([C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 220154437 KPMBPBHLTBYHJI-IBGZPJMESA-N 444.601 2.218 10 40 IECB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58903827 HUXCPGWYCZRHNB-SCWSXOCZSA-N 442.512 2.442 10 40 IECB Cc1c(N/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 100142650 DRQRBFOUKVMRKM-AQTBWJFISA-N 431.452 2.059 10 40 IECB COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2F)CC1 13504251 FUTJMQYXQYDFDN-JOCHJYFZSA-N 439.539 2.436 10 40 IECB COc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccccc4)C3)CC2)cc1 585285999 GJYUCJCZSIRVRC-VWLOTQADSA-N 442.556 2.169 10 40 IECB C[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S 1281999 GFPBSQIOWVDDIN-SRMXZIQESA-N 427.301 2.470 10 40 IECB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1 13576258 WLEVDLFACFPJIK-LUDQZLGDSA-N 433.533 2.474 10 40 IECB COc1ccc(N2CCN(C(=O)CSc3nc4cc(C)[nH]c4c(=O)n3C)CC2)cc1 57521581 JLPUZAFQFZGJMC-UHFFFAOYSA-N 427.530 2.020 10 40 IECB COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCC(=O)O)C2=O)cc1OC 8870118 PSUOLNWWGDZDTM-RVDMUPIBSA-N 438.527 2.276 10 40 IECB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N[C@H]1CCS(=O)(=O)C1 33585964 RBESGAKGOWEJMS-IGVUGNCQSA-N 444.987 2.235 10 40 IECB COc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 16806245 RKRJVMNIRTWBGT-IBGZPJMESA-N 432.542 2.356 10 40 IECB COc1ccc(CNc2nc(N)nc(CN3CCN(c4ccc(OC)cc4)CC3)n2)cc1 72470774 OYXKLZCCGVZPMU-UHFFFAOYSA-N 435.532 2.405 10 40 IECB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCOCC3)ccc21 22734034 JPQCODHHFROJQK-OAQYLSRUSA-N 444.482 2.085 10 40 IECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C(=O)N4CCOCC4)cc3)C2=O)c1 8456931 BOSRVMHWJCQQFH-RGEXLXHISA-N 434.452 2.046 10 40 IECB CCOC(=O)CCc1c(C)c2cc(CNCCCN3CCOCC3)c(O)c(C)c2oc1=O 9304250 MGYRYYYQQNCLLY-UHFFFAOYSA-N 446.544 2.423 10 40 IECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22735660 KBNLREKLVBRHDC-QFIPXVFZSA-N 431.558 2.039 10 40 IECB CN1C(=O)NC(=O)/C(=C\c2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)C1=O 9190213 USEGVHHSRHQWHC-NBVRZTHBSA-N 435.440 2.013 10 40 IECB COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(N)=O 13547901 NSCRBKDMLMHQGF-GDNBJRDFSA-N 438.527 2.406 10 40 IECB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br 408692729 TWIBNYUDHPHLQS-KPKJPENVSA-N 437.246 2.317 10 40 IECB COC(=O)C1=C(C(=O)OC)SC(=Cc2c(C=O)nnn2-c2ccc([N+](=O)[O-])cc2)S1 8448396 JOCLXAQAVXVGES-UHFFFAOYSA-N 448.438 2.324 10 40 IECB COc1ccc(CCN2C(=O)NC(=O)/C(=C\Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 9281247 GKNKFVYWEIKYKP-FOWTUZBSSA-N 439.424 2.019 10 40 IECB CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 219168555 ABJKHWDCTGVTEF-UHFFFAOYSA-N 431.558 2.386 10 40 IECB C[C@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 9252642 FJZQFXAYGVTOAI-RMGFKRFNSA-N 442.971 2.357 10 40 IECB CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(C(=O)O)c3)C1=O)OCO2 12363037 KWODEZAUSHJCSD-VGOFMYFVSA-N 440.433 2.344 10 40 IECB CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 23857722 WPKQNXYOKRSZMK-DEOSSOPVSA-N 449.599 2.285 10 40 IECB O=C(O)COc1ccc(Br)cc1/C=C1\SC(=S)N(CC(=O)O)C1=O 15009200 YWLSEXNOUYBXIJ-WMZJFQQLSA-N 432.273 2.198 10 40 IECB COc1ccc(N2CCN(C(=S)NC(=O)c3ccccc3OC)CC2)c([N+](=O)[O-])c1 17096896 CEOCCAURGMDSMF-UHFFFAOYSA-N 430.486 2.449 10 40 IECB O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 24002806 XKUWIUWPRJURRD-FNNXTJRKSA-N 431.602 2.412 10 40 IECB NC(=O)COc1ccccc1/C=C1\SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O 618254966 LPEVXDNGIGTXLF-QJISPJEISA-N 442.518 2.448 10 40 IECB CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 8820219 AOZLEDOPMFIJAS-JLHYYAGUSA-N 425.557 2.250 10 40 IECB O=C(O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 8916608 KSNIQYHXSOJHPS-VIZOYTHASA-N 433.376 2.121 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22734989 NRBDGGCHTMUFRX-DEOSSOPVSA-N 449.599 2.421 10 40 IECB CC(C)N1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 27016705 SQVMQQFSYKLDLD-NTCAYCPXSA-N 429.571 2.056 10 40 IECB COc1cc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc(OC)c1OC 102839601 MJTFSBYILWSRQF-KYJZABPNSA-N 429.541 2.101 10 40 IECB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N[C@H]1C=CS(=O)(=O)C1 9348536 UROQINIMQDOYCG-CJAAZZPWSA-N 442.971 2.358 10 40 IECB Cc1cc(C(=O)OCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 16685166 MIYSAYOLQAYDCF-LJQANCHMSA-N 430.526 2.429 10 40 IECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCC1 16032985 LPHRZKXEPHHPFN-DNBVQBCISA-N 447.491 2.004 10 40 IECB biogenic COc1ccc(N2CCCN(CC3CCN(C(=O)[C@H](C)Cn4cncn4)CC3)CC2)cc1 72338573 OPHWKCNWTPOXST-HXUWFJFHSA-N 440.592 2.374 10 40 IECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/NNc1c(F)c(F)c(F)c(F)c1F 13570859 LWPANUJHQKOPGA-RMKNXTFCSA-N 426.301 2.461 10 40 IECB COc1ccc(N2CCN(C(=O)c3nc(-n4cnnc4)ccc3Br)CC2)cc1 21721266 UHMGASRWSFXEOA-UHFFFAOYSA-N 443.305 2.396 10 40 IECB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCC(=O)O)c4ccccc34)[C@H]21 1565524486 IPBPLSWMCGUVCB-QHCPKHFHSA-N 432.480 2.379 10 40 IECB CCCC[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S 8821642 NYWVITXIQNLGQE-DKASORFFSA-N 434.495 2.333 10 40 IECB COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)CC2)cc1 96344219 DUNPMWCVJXVWQK-HNNXBMFYSA-N 437.475 2.412 10 40 IECB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 16160773 PVNVLPXDSXXWND-HKWRFOASSA-N 426.498 2.426 10 40 IECB O=C1Nc2ccccc2/C1=C1\SC(=S)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=O 1737932 VJIZGSUYWBVEMY-BUHFOSPRSA-N 426.435 2.463 10 40 IECB Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 13069768 JCQNJQINJQOAOM-UHFFFAOYSA-N 436.497 2.278 10 40 IECB COc1ccc(-c2cc3ccc(O)c(CN4CCN(CCO)CC4)c3oc2=O)cc1OC 20605095 ZWNGWUYEAVLYPK-UHFFFAOYSA-N 440.496 2.293 10 40 IECB biogenic NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)c1 89780767 BCZZDGOTDNGMBV-UHFFFAOYSA-N 439.902 2.347 10 40 IECB CN1CCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1 225571863 ZNMVICFXYBCWQV-UHFFFAOYSA-N 442.585 2.153 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C2=O)cc1 408852953 OQFVXQJLLKDJBS-RIYZIHGNSA-N 430.800 2.478 10 40 IECB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCOCC3)ccc21 22734031 GUWJJHJNVJFUQW-NRFANRHFSA-N 444.482 2.085 10 40 IECB Cc1nn(C)c(C)c1/C=C1/SC(N2CCN(S(=O)(=O)c3ccccc3)CC2)=NC1=O 101406593 IRSOFKBPGHIGJS-QGOAFFKASA-N 445.570 2.014 10 40 IECB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)c1 9335035 VUUXLMLPFJRGLR-RIYZIHGNSA-N 442.424 2.396 10 40 IECB CCOC(=O)/C=c1\s/c(=C/c2ccc(N(C)C)cc2)c(=O)n1CC(=O)c1ccccc1 33527575 NTCYEKKOHVFJOI-TZKOODLUSA-N 436.533 2.031 10 40 IECB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NC3CCCC3)c3ccco3)CC2)cc1 56945963 JRUDCRLXRWHDRL-NRFANRHFSA-N 440.544 2.327 10 40 IECB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 108922697 RJYFFFUKCBHNTI-UHFFFAOYSA-N 447.806 2.255 10 40 IECB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1 12607661 WPQFAUHGNYFRAY-UHFFFAOYSA-N 441.456 2.012 10 40 IECB COc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)cc1 60003635 RWTIOPWXXJGZNM-UZUQRXQVSA-N 445.585 2.261 10 40 IECB COc1ccc(N2N=C(C)/C(=C/c3c(O)[nH]c(=O)n(-c4ccc(C)cc4)c3=O)C2=O)cc1 996410 RMVMGMYPZPOBBX-PDGQHHTCSA-N 432.436 2.355 10 40 IECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1 409046721 LLNZJHWNTFASBJ-UHFFFAOYSA-N 425.466 2.017 10 40 IECB CCOc1cccc([C@@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]23)c1O 9972023 ZELOXWZXUZMIEU-YDSTWLSQSA-N 440.452 2.093 10 40 IECB biogenic,in-vitro CCOC(=O)C1=C(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)NC(=O)N[C@H]1C 9466677 BZAXOZWGWABLGT-LBPRGKRZSA-N 448.431 2.137 10 40 IECB COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 13008520 WNKKNNVNRVHDTN-OAQYLSRUSA-N 440.544 2.444 10 40 IECB Cc1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccc2c(c1)OCCO2 32771092 BMIHLNNIJSNJED-UHFFFAOYSA-N 433.530 2.019 10 40 IECB CCCCN1C(=O)[C@H]2[C@@H](c3cc(Br)ccc3O)N[C@@](C)(C(=O)O)[C@@H]2C1=O 100166672 ZFHYRRQDRMRWQZ-KYZVSKTDSA-N 425.279 2.044 10 40 IECB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1O[C@@H](C)C(=O)O 409233073 DEGIHDRNTOUMEM-ZRRZQRFHSA-N 428.372 2.353 10 40 IECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCCC2)cc1 10188284 BXORLRYBRSZSKR-HXUWFJFHSA-N 438.528 2.416 10 40 IECB COc1ccc(N2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)cc1 16953828 ZXFNMLIKFYBYOW-INIZCTEOSA-N 426.542 2.126 10 40 IECB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1C 22734477 UWHUACQEPKDHPJ-DEOSSOPVSA-N 449.599 2.339 10 40 IECB COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1OC 23857335 XVKAXKKQEWRJPW-NRFANRHFSA-N 425.529 2.499 10 40 IECB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20488813 JQBAPVLXKUVGKH-UHFFFAOYSA-N 443.569 2.379 10 40 IECB COc1ccc(N2CCN(c3nnc(SCC(=O)NC[C@H]4CCCO4)s3)CC2)cc1 23139990 VREGYAOSFODSKQ-QGZVFWFLSA-N 449.602 2.261 10 40 IECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)OC 33667864 FSUVQFAEXVSKOS-DHDCSXOGSA-N 441.396 2.007 10 40 IECB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(O)c3)c(=O)n2[C@H]1c1ccccc1 2773483 CMRZGNQOWZOXAP-SQWSFHKJSA-N 436.489 2.210 10 40 IECB CCCCCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 9281052 GOEXHWIVAOJWDY-UHFFFAOYSA-N 440.548 2.339 10 40 IECB CN(C)c1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1 9009513 XHPGTQHSPDYRQD-GOSISDBHSA-N 447.513 2.256 10 40 IECB COc1ccc(N2CCN(C(=O)C3CCN(c4ccc5nnc(C)n5n4)CC3)CC2)cc1 20744714 JJWQVGOBLSWSRA-UHFFFAOYSA-N 435.532 2.007 10 40 IECB Cc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 13799249 ZJJMUANSPKIFSU-LGMDPLHJSA-N 431.452 2.372 10 40 IECB O=C(CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33537323 ZJVANMDHZJMKDZ-FYQHACEVSA-N 442.971 2.358 10 40 IECB Cn1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cn1 96220913 HZBVFOJFOUNIPO-NSHDSACASA-N 436.376 2.457 10 40 IECB biogenic CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 113833687 OYDVOQWYQYZFKK-UHFFFAOYSA-N 427.438 2.487 10 40 IECB O=C(O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 409050457 VXKNBBUZPGLYOJ-RIYZIHGNSA-N 445.771 2.378 10 40 IECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])nnc2n1 9597100 ABKLKEYPSKNGMB-UHFFFAOYSA-N 447.481 2.031 10 40 IECB COCCn1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 13504252 FOPGDBJUFCHBAO-QFIPXVFZSA-N 439.539 2.436 10 40 IECB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 33542924 MGCXBLGANYGANY-OFMUYHBZSA-N 442.559 2.061 10 40 IECB CCOc1cc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc(Br)c1OC 409212893 RZMNLAGSQIZAGZ-WDZFZDKYSA-N 429.292 2.087 10 40 IECB O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2O)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 19863654 KINCSDVYYXRSBG-GRDNDAEWSA-N 425.319 2.404 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)c(OC)c1 408945913 OHCHQHJTVJOIIQ-KPENOIPVSA-N 440.408 2.222 10 40 IECB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1NC1=NS(=O)(=O)c2ccccc21 9851410 UILBDULJGLLNTA-UKTHLTGXSA-N 446.491 2.450 10 40 IECB COc1ccc(N2CCN(CC(=O)N3CCN(Cc4ccccc4F)CC3)CC2)cc1 24207747 RBLHJGFLIPFZFS-UHFFFAOYSA-N 426.536 2.301 10 40 IECB COc1ccc(N2CCN(C(=O)CCn3cnc4c(cnn4C(C)(C)C)c3=O)CC2)cc1 13516602 HTHKGGLKONZUIO-UHFFFAOYSA-N 438.532 2.096 10 40 IECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(N)=O 408963193 XTSHJQHTHLBKCV-LICLKQGHSA-N 437.452 2.233 10 40 IECB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)c1 408534069 URYMRUQIQPGEMI-SFQUDFHCSA-N 442.497 2.133 10 40 IECB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408948786 GSBSWHWKUHGCOL-LFYBBSHMSA-N 441.352 2.007 10 40 IECB COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)CC2)cc1 96344217 DUNPMWCVJXVWQK-OAHLLOKOSA-N 437.475 2.412 10 40 IECB COc1ccc(/C=C2/SC(=S)N(CCC(=O)OCCN3CCOCC3)C2=O)cc1 20356352 KZQIOXGKRZMMED-SAPNQHFASA-N 436.555 2.162 10 40 IECB CCN1C(=O)C(=Cc2cc(Br)c(N3CCOCC3)o2)C(=O)N(CC)C1=S 408942756 LCZZUNXHOSMETH-UHFFFAOYSA-N 442.335 2.258 10 40 IECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(N)=O 409228021 ZHVKRKZEIJOZTC-AWNIVKPZSA-N 447.806 2.018 10 40 IECB C[C@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 9187696 ULZLEXGOAVWUNV-OMJMQIJPSA-N 444.538 2.408 10 40 IECB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408914231 XLDYTONTWOTAHE-OQLLNIDSSA-N 427.438 2.439 10 40 IECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCC(=O)O 409043353 QFSFYQHHZAWQTH-XYOKQWHBSA-N 430.800 2.478 10 40 IECB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 13007346 DLVFDZOBVDXDIP-HSZRJFAPSA-N 436.556 2.424 10 40 IECB Cc1cc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)ccc1F 23080645 SUMDKFOZNJHOMZ-QFIPXVFZSA-N 434.581 2.467 10 40 IECB CN(C)S(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 9010257 DDIOWNIQZADACR-WJDWOHSUSA-N 448.888 2.169 10 40 IECB CCOc1cccc([C@@H]2N[C@](C)(C(=O)O)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]32)c1O 248156620 ZELOXWZXUZMIEU-ZHSNQQFMSA-N 440.452 2.093 10 40 IECB biogenic,in-vitro CCN(CC)c1ccc([C@@H]2NC(=O)N([C@H]3CCS(=O)(=O)C3)C(C)=C2C(=O)OC)cc1 32665994 QIDYJQSQKNXSLJ-HKUYNNGSSA-N 435.546 2.233 10 40 IECB COC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 409399799 MOVQRCSYJQXIPE-ZROIWOOFSA-N 431.242 2.462 10 40 IECB COc1ccc(N2CCN(C(=S)NC(=O)c3ccccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 9064481 VCZPNJCIJCOMDE-UHFFFAOYSA-N 445.457 2.349 10 40 IECB O=C(CCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)N[C@@H]1CCS(=O)(=O)C1 13654973 HKRKHZHGCGYAFF-MKRLJBPISA-N 442.559 2.110 10 40 IECB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCC(C)C)c3ccco3)CC2)cc1 56946238 HEYLUGNKCYUQKM-FQEVSTJZSA-N 428.533 2.040 10 40 IECB Cc1coc(NS(=O)(=O)c2ccc(/N=N\c3c(N)n(C)c(=O)n(C)c3=O)cc2)c1C 104090727 UJEUKOLHGLHCGX-MRCUWXFGSA-N 432.462 2.092 10 40 IECB CN1CCN(S(=O)(=O)c2ccc(NCc3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)CC1 12554435 CRIIZKXLDBFDEO-UHFFFAOYSA-N 433.534 2.209 10 40 IECB C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13670896 GOUYTASUKFDDBW-MRXNPFEDSA-N 435.521 2.133 10 40 IECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)c2ccc(N(C)C)cc2)CC1 22809583 FEAUUUGLLLSKCC-NRFANRHFSA-N 443.979 2.449 10 40 IECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(N)=O 409222381 CNYQYKBMRVFPSW-VGOFMYFVSA-N 443.843 2.188 10 40 IECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1C 22735663 SVTVMCDCYGCOCT-JOCHJYFZSA-N 445.585 2.348 10 40 IECB COc1ccc(N2CCCN(CC3CCN(C(=O)CN4CCCC4=O)CC3)CC2)cc1 72338559 NQAFHJXLWBEODS-UHFFFAOYSA-N 428.577 2.068 10 40 IECB CCC[C@]1(C(=O)O)N[C@H](c2cc(OC)ccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 15305370 UGJJHDCNDKZJEW-SMOZNVCYSA-N 438.480 2.470 10 40 IECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CCOCC2)cc1 22998949 AGYIEKJNBXCWBQ-FQEVSTJZSA-N 432.471 2.159 10 40 IECB COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1cccs1 57415964 OGPVPFMUZBNIKJ-HXUWFJFHSA-N 442.541 2.360 10 40 IECB O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)NCc1ccco1 9425377 OVWJOUJGEPGFIY-UHFFFAOYSA-N 434.360 2.436 10 40 IECB C[C@@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 13572538 LWRYXBSUBVADPG-VHSBBYLZSA-N 442.971 2.357 10 40 IECB CCS(=O)(=O)N1CCc2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21 8586843 UCIGLWCUBKYIJG-UHFFFAOYSA-N 429.542 2.370 10 40 IECB C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 9054120 KBXYGTSJFRYESQ-RMGFKRFNSA-N 444.987 2.233 10 40 IECB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9439543 PMEPSLNBTQUAOO-UHFFFAOYSA-N 442.427 2.374 10 40 IECB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccc(O)c(O)c2)cc1 8995469 QRBWMFIKWRFQBR-QFIPXVFZSA-N 449.463 2.245 10 40 IECB O=C(COc1ccccc1/C=C1/SC(=S)N(C[C@@H]2CCCO2)C1=O)N1CCOCC1 9232228 AITRSRDCFVPYKJ-IQFISFIMSA-N 448.566 2.304 10 40 IECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1F 107936917 VKDAHDZZMIWHOU-UHFFFAOYSA-N 443.456 2.156 10 40 IECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 409256202 KFQFCFQLZNRIJP-UHFFFAOYSA-N 437.452 2.469 10 40 IECB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCO2 10113186 UJJKOJMXVRCQAI-UHFFFAOYSA-N 445.541 2.488 10 40 IECB C/C(NCCN1CCNCC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 22941024 PZFTZJFWUXQIBE-QINSGFPZSA-N 438.479 2.330 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@H](C)C(=O)O)C2=O)c(OC)c1 409193727 LSFJEVCBJJWDBR-JXCQQFQQSA-N 440.408 2.222 10 40 IECB CCn1c(=O)n(CC)c2cc(N/C=C3/C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)ccc21 408528179 FKPMTXRBIPPVJB-LGMDPLHJSA-N 449.467 2.430 10 40 IECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])nnc2n1 12621306 XCCZKCJHJSUFKC-UHFFFAOYSA-N 435.445 2.161 10 40 IECB O=C(CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@H]1C=CS(=O)(=O)C1 13655510 XXTLPGLYXNXQOE-OJNRTJSBSA-N 440.543 2.234 10 40 IECB CCOC(=O)c1c(NC=C2C(=O)OC(C)(C)OC2=O)sc(C(=O)OCCOC)c1C 23127158 TTWWQXMMAIYKGM-UHFFFAOYSA-N 441.458 2.168 10 40 IECB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 104086207 IYWKNORQGIPWJY-QRQLOZEOSA-N 445.431 2.305 10 40 IECB COc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)C(=O)NC2=S)cc1 6645207 OBPLTFWUKXEKNJ-ZSOIEALJSA-N 443.437 2.452 10 40 IECB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OCC 113837825 YKGQTJVRHBETFM-RIYZIHGNSA-N 425.484 2.313 10 40 IECB Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 216939426 FRDJYFAEKWXTBB-IBGZPJMESA-N 444.601 2.218 10 40 IECB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1OC 993889 BCPDZDLLDFDBMK-UHFFFAOYSA-N 444.225 2.132 10 40 IECB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N3CCN(C)CC3)nc12 1464559 KXNXKRDNENTLGM-FOWTUZBSSA-N 443.598 2.364 10 40 IECB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C(=N)N21 15934023 IVEROEIWNQTDKR-GODSMQODSA-N 444.450 2.120 10 40 IECB COc1ccc(N2CCN(C(=S)NC(=O)COc3ccccc3)CC2)c([N+](=O)[O-])c1 17096897 PTFIMNUROSUDOF-UHFFFAOYSA-N 430.486 2.206 10 40 IECB COc1ccccc1N1C(=O)/C(=C/NN2CCCC[C@H]2c2cccnc2)C(=O)NC1=S 4620599 HJMARDKJRNRNCR-ZQHZRZASSA-N 437.525 2.454 10 40 IECB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 13574852 CGPUIQAUKIUJQH-LPCGNRLVSA-N 442.559 2.061 10 40 IECB O=C1N=C(O)/C(=C\c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)C(=O)N1 33738216 SIQGJAGPCFKDTD-UHFFFAOYSA-N 437.397 2.311 10 40 IECB Cn1nccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 96222384 KGMLZRKEPRAIQE-JTQLQIEISA-N 436.376 2.457 10 40 IECB biogenic CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4ccccc4OC)C3=O)ccc21 408534176 VDCOTUYECNXLHR-FYWRMAATSA-N 449.467 2.430 10 40 IECB COc1ccc(N2CCN(C(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)CC2)cc1 659793 IUKYCPMLDJDPBY-UHFFFAOYSA-N 431.558 2.427 10 40 IECB CCN1C(=O)[C@H]2[C@H](c3ccccc3O)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C1=O 6512475 YDFXQMJFEDEDNF-KCOOYEKVSA-N 433.464 2.205 10 40 IECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCOCC3)ccc21 22734941 JHUJKLQDYOYEFX-JOCHJYFZSA-N 440.519 2.336 10 40 IECB CCN(C(=O)[C@@H](C)N1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 33589220 BOSHFUUYXQYLIF-ZGQQQQJYSA-N 444.625 2.373 10 40 IECB CN1CCN([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccc(N(C)C)cc2)CC1 22809517 RMJADDRMHIIEFV-QHCPKHFHSA-N 441.620 2.164 10 40 IECB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3O)C2)c1 9060574 UYTHPRFHYKIFKX-QGZVFWFLSA-N 431.470 2.306 10 40 IECB CCCN1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2347238 VNJCHQXHMQRRCA-SSZFMOIBSA-N 443.598 2.366 10 40 IECB Cc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 13647852 NTXPRZPDWVIHFV-GOSISDBHSA-N 431.558 2.303 10 40 IECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCOCC2)cc1 22998798 ZGJKBAWPMMCVGQ-NRFANRHFSA-N 444.963 2.212 10 40 IECB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)c1 9220534 BJZOSGQLVGSNNZ-UHFFFAOYSA-N 433.486 2.494 10 40 IECB CCOc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 13673757 AZTRQJUJYTZZKG-UHFFFAOYSA-N 447.557 2.004 10 40 IECB COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccccc1 57414263 FNDCJBTUNRDJLY-QFIPXVFZSA-N 436.512 2.298 10 40 IECB COc1cccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22589426 XOJVLDYBTKUQGT-HSZRJFAPSA-N 426.561 2.245 10 40 IECB C[C@]12CC[C@@H]3c4c(-n5cnc6nc(N)[nH]c(=O)c65)cc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O 77293730 FRKBGPSXUBCIFE-URRUNNDYSA-N 437.500 2.319 10 40 IECB in-vitro CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCCC2)cc1 10188285 BXORLRYBRSZSKR-FQEVSTJZSA-N 438.528 2.416 10 40 IECB COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(OC)c1OC 17167080 FOLZXCCARFHXBY-SXGWCWSVSA-N 431.470 2.166 10 40 IECB COc1ccc(N2CCN(CC(=O)N3CCc4cc(OC)c(OC)cc4C3)CC2)cc1 57111282 WAQOUWGZPHCSKC-UHFFFAOYSA-N 425.529 2.419 10 40 IECB COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1 57414267 FNDCJBTUNRDJLY-JOCHJYFZSA-N 436.512 2.298 10 40 IECB Cc1c(N/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(=O)n(-c2ccccc2)n1C 100794083 IGXLUDREIJMUEK-NTCAYCPXSA-N 435.415 2.202 10 40 IECB COc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22733837 GARMNXHRUUCBJL-XMMPIXPASA-N 438.572 2.171 10 40 IECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC 408940857 VJCWAWHFNUQGFN-RIYZIHGNSA-N 427.369 2.287 10 40 IECB O=C(COC(=O)Cn1nnc2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 9335262 OEQBXFQJOPZIKZ-UHFFFAOYSA-N 440.415 2.389 10 40 IECB CCOc1cc(OCC)c(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1Br 409211337 ITGNLQXOLBKFMR-GHXNOFRVSA-N 443.319 2.477 10 40 IECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1cccc(C)c1C 409265923 VBHVOKXOVMGPKR-UHFFFAOYSA-N 437.452 2.469 10 40 IECB Cc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1C 10113344 CYAJSNKZIOXKFD-UHFFFAOYSA-N 431.558 2.222 10 40 IECB O=C(COc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O)Nc1ccc(F)cc1 107980932 UDZFUNDTUQJKCU-UHFFFAOYSA-N 433.848 2.411 10 40 IECB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 23080640 SBZPHWZDJUAEIK-OAQYLSRUSA-N 434.581 2.467 10 40 IECB COC(=O)CN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)O)SC1=S 409208703 CHFQSUFSEUEWLU-WZUFQYTHSA-N 446.300 2.287 10 40 IECB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2CCN(c3ccccn3)CC2)cc1 12606083 OIYVOTJPLPSSSE-QHCPKHFHSA-N 437.588 2.477 10 40 IECB O=C1C(=CNCCN2CCOCC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 20023477 AIIITUFOIAXHBD-UHFFFAOYSA-N 436.537 2.157 10 40 IECB CCN(C(=O)[C@@H](C)N1C(=O)/C(=C/c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9058975 BOSHFUUYXQYLIF-QNWYCTJYSA-N 444.625 2.373 10 40 IECB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N[C@@H]1CCS(=O)(=O)C1 33585963 RBESGAKGOWEJMS-ZMTLZGASSA-N 444.987 2.235 10 40 IECB O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 9486517 ZJVANMDHZJMKDZ-GFAPJHNFSA-N 442.971 2.358 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 100758615 JWHDXWKVCXSULB-AQTBWJFISA-N 447.451 2.072 10 40 IECB COc1cccc(N2C(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)NC2=S)c1 12371579 VGZZJVJZTWQBMZ-ACAGNQJTSA-N 427.394 2.163 10 40 IECB Cc1ccc(N2NC(=O)/C(=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1C 8986445 SWDUJXJXLHWATK-MOSHPQCFSA-N 436.493 2.203 10 40 IECB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 12656201 COQPRKOCIVYLMB-UHFFFAOYSA-N 446.440 2.245 10 40 IECB CCN(C(=O)[C@@H](C)N1C(=O)/C(=C\c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9420828 UGFHQQJBVRIYNJ-ZTUFEDMWSA-N 438.596 2.312 10 40 IECB C[C@H](OCc1ccc(N)cc1)C(=O)OCCOC(=O)[C@H](C)c1c(N)cccc1C(=O)O 252011778 SOHHTTDWWLQHGP-KGLIPLIRSA-N 430.457 2.344 10 40 IECB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)S1 408754721 HGPFUMRHOFAOBL-SXGWCWSVSA-N 447.450 2.469 10 40 IECB COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2)C1=O 409237237 ITCZQDFMTWZKEG-UYRXBGFRSA-N 436.468 2.063 10 40 IECB COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 16914705 WQYVCMAGVUPRPJ-IBGZPJMESA-N 437.537 2.252 10 40 IECB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NCc1cc([N+](=O)[O-])ccc1O 25222699 ARYXHTNANDLVLY-UHFFFAOYSA-N 436.852 2.149 10 40 IECB COc1ccc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 17096894 UXGSHRWCOGVFLS-UHFFFAOYSA-N 430.486 2.449 10 40 IECB O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2O)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 19863646 KINCSDVYYXRSBG-ZQIUZPCESA-N 425.319 2.404 10 40 IECB COc1cc(NC(=O)COc2ccc(N3CCN(C(C)=O)CC3)cc2)cc(OC)c1OC 32956416 BDFVLBZALJENHW-UHFFFAOYSA-N 443.500 2.398 10 40 IECB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 408960647 HOVGDATVXUHDGQ-UHFFFAOYSA-N 428.426 2.389 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3OC)OCO4)C2=O)c(OC)c1 409094343 DMNVMHANEYDLBQ-MLPAPPSSSA-N 426.381 2.108 10 40 IECB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccccc2F)SC1=S 9302820 VIMCYODAGUHURN-ULGHFJRLSA-N 442.559 2.061 10 40 IECB COc1ccc(N2N=C(C)/C(=C(\C)NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 100135991 PCCFDJXRBNCMEK-ZHZULCJRSA-N 428.514 2.171 10 40 IECB COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1C(=O)NC(C)C 113946381 KOYMAZYDHJTJEW-UHFFFAOYSA-N 447.557 2.149 10 40 IECB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(N)(=O)=O)cc3C)C2=O)c(C)c1 408536454 WNOYSGRQMOSGQQ-MHWRWJLKSA-N 442.497 2.146 10 40 IECB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18126913 IYWKNORQGIPWJY-NEWSRXKRSA-N 445.431 2.305 10 40 IECB COc1cc(N2CN=c3s/c(=C\C=C\c4ccccc4)c(=O)n3C2)cc(OC)c1OC 2320938 WYSKOJVTPYGIJT-VTGAJVDQSA-N 437.521 2.484 10 40 IECB CSc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1 8769572 QOROKRAQOYHGRT-KPZJPCGCSA-N 429.527 2.277 10 40 IECB NS(=O)(=O)c1ccc(-n2cccc2/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1 17167136 CXKBPGWCRBSGOF-PDGQHHTCSA-N 442.884 2.240 10 40 IECB CNc1nc([C@H]2CCN(C(=O)CCN(C)c3ccc(OC)cc3)C2)nc2c1CN(C)CC2 257261944 LJJXLNFKZNBRNC-KRWDZBQOSA-N 438.576 2.357 10 40 IECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2797339 QMSBQPFICWSDCK-UHFFFAOYSA-N 439.493 2.244 10 40 IECB COc1ccc(C)cc1-n1cccc1/C=C1/C(=N)N2C(=NC1=O)SN=C2S(C)(=O)=O 20211446 OWIWHXGYRQGEEO-WMQSWVATSA-N 443.510 2.416 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22734229 KCJFKFIFOXFCQV-QHCPKHFHSA-N 435.572 2.031 10 40 IECB CNc1nc([C@@H]2CCNC2)nc2c1CCN(C(=O)c1cc(N3CCCC3)ccc1OC)C2 257319446 VSOUGCAUHZLHRD-MRXNPFEDSA-N 436.560 2.403 10 40 IECB O=C(O)[C@H]1N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 13555708 LAGMNMHQNKPYJG-VGWMRTNUSA-N 431.242 2.058 10 40 IECB COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 23080585 MPUBOUTWXPPXNE-NRFANRHFSA-N 446.617 2.337 10 40 IECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c(OC)c1 16914814 RONDYKLBFMBMHT-HXUWFJFHSA-N 449.573 2.122 10 40 IECB O=C(CSc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1[N+](=O)[O-])Nc1ccccc1 408987619 BKWNVMZPZRMLFQ-UHFFFAOYSA-N 442.478 2.240 10 40 IECB CCN(C(=O)[C@H](C)N1C(=O)/C(=C/c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 13575182 BOSHFUUYXQYLIF-MFRBPKMGSA-N 444.625 2.373 10 40 IECB CN(C(=O)CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 36589913 SVKYRVGTZXUIPX-VWZLUQKRSA-N 436.580 2.090 10 40 IECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 23080589 CZCUICRGGNMITI-QFIPXVFZSA-N 432.590 2.028 10 40 IECB CCN(C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 33581925 OKGPVVZOVLOWNP-HLVNSREUSA-N 444.625 2.375 10 40 IECB CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33467167 ZISHUBRTTNAQCQ-IGWPVBGESA-N 425.397 2.387 10 40 IECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c1ccc(OC)cc1 408884458 ZITMGNWYTUCKLI-UHFFFAOYSA-N 426.450 2.227 10 40 IECB CCN1C(=O)NC(=O)/C(=C\c2cn(CC(=O)NCc3ccccc3)c3ccccc23)C1=O 665186 DYNZTTQSQCLXMC-XDHOZWIPSA-N 430.464 2.439 10 40 IECB CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O 2376670 MKRDUZXIJLBSTP-OJNRTJSBSA-N 448.570 2.033 10 40 IECB O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33539667 FIRNPQVFRCHFBT-BOIYSKOKSA-N 434.564 2.261 10 40 IECB CCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 2320888 OWFFBZIQVUGWRO-QINSGFPZSA-N 448.570 2.035 10 40 IECB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCc1ccc(S(N)(=O)=O)cc1 8721355 KXLXPRDYSGFQGG-LDADJPATSA-N 429.458 2.029 10 40 IECB COC(=O)CN1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=S 409211679 NTQBXJVMHYDTBU-YHYXMXQVSA-N 435.264 2.371 10 40 IECB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734252 BCEADCDCIJHXAZ-DEOSSOPVSA-N 449.599 2.339 10 40 IECB CCN1C(=O)[C@H]2[C@@H](c3ccccc3O)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C1=O 6512476 YDFXQMJFEDEDNF-ZBNTXBBCSA-N 433.464 2.205 10 40 IECB COc1ccc(N2CCN(C(=O)COc3ccc4nc5n(c(=O)c4c3)CCC5)CC2)cc1 13683382 PWYPSYBFDCWTHB-UHFFFAOYSA-N 434.496 2.079 10 40 IECB COCCOc1cc(NS(=O)(=O)c2cccc3nsnc23)c(C(=O)O)cc1OC 19079592 WNNUATZCXDFYBN-UHFFFAOYSA-N 439.471 2.224 10 40 IECB O=C(O)CCCN1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S 9420467 VDNPJFMAMKZCAS-OVCLIPMQSA-N 432.479 2.365 10 40 IECB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1 631723 WLEVDLFACFPJIK-PHJXOXRPSA-N 433.533 2.474 10 40 IECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N(C)C)nc12 16700257 UWZGOFWCWMDJAK-NWFCWYBLSA-N 430.555 2.449 10 40 IECB O=C(O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21 409190018 UQWBQXRTNWMOPR-CXUHLZMHSA-N 449.444 2.255 10 40 IECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 2245308 ZUPYAIJZYJKEEH-XEYRCQSKSA-N 446.463 2.317 10 40 IECB CCc1cc2c(C)cc(=O)oc2c(CN2CCN(CC(=O)N3CCCCC3)CC2)c1O 22934626 JUWOECCQROFFDZ-UHFFFAOYSA-N 427.545 2.500 10 40 IECB CN1CCc2cc([C@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCOCC3)ccc21 22734012 NWNARXJSITVWFR-QHCPKHFHSA-N 440.588 2.175 10 40 IECB O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 24113468 GJCGVGTXFUSEAV-UHFFFAOYSA-N 430.404 2.045 10 40 IECB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@@H]1CCS(=O)(=O)C1 9477265 FVWUTYPBKLCROA-MKRLJBPISA-N 442.559 2.110 10 40 IECB Cc1c(N/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 102412065 JWIFWYLWZFWNFW-CYVLTUHYSA-N 445.479 2.101 10 40 IECB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)Nc1ccc(Br)cc1 199276644 MZRLMSFMECPKJA-UHFFFAOYSA-N 444.241 2.216 10 40 IECB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1C 22734480 UWHUACQEPKDHPJ-XMMPIXPASA-N 449.599 2.339 10 40 IECB COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)NC1=S 98086705 ZVJUHRIRIOEVIG-GZTJUZNOSA-N 428.470 2.275 10 40 IECB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCCN1CCOCC1 8820371 UIWGERGGZNOFIG-PZLZUMHWSA-N 431.583 2.283 10 40 IECB Cc1ccc(NC(=O)COC(=O)c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc1 409210714 KTLUSWMXGBYDFG-UHFFFAOYSA-N 435.436 2.224 10 40 IECB CCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946008 LWOTXIFIBJDEEI-HXUWFJFHSA-N 428.533 2.184 10 40 IECB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408934122 CPOINYSAZZGZGW-UHFFFAOYSA-N 441.465 2.089 10 40 IECB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 13572762 FIRNPQVFRCHFBT-HKTDBJNNSA-N 434.564 2.261 10 40 IECB Cc1c(N/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 101068248 IWGQCVNAPZVRGO-LDADJPATSA-N 449.442 2.198 10 40 IECB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 20802399 YMGSUZWZXSUJGB-MOPGFXCFSA-N 425.441 2.209 10 40 IECB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734246 KIOQCSFAMAMCMN-QHCPKHFHSA-N 435.572 2.031 10 40 IECB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(N)=O 409226847 XIKCTRHSCAFWAB-MDWZMJQESA-N 443.843 2.188 10 40 IECB CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22809645 AYWDENMYRVZQHL-HSZRJFAPSA-N 437.588 2.358 10 40 IECB COc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1 108098084 DJPBIOVWHSKKNY-UHFFFAOYSA-N 429.816 2.116 10 40 IECB O=C(CSc1nnc(CN2CCCC2=O)n1-c1ccccn1)c1ccc(O)c(O)c1 24196523 MVFAXFCMMJUGAR-UHFFFAOYSA-N 425.470 2.171 10 40 IECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(NC(C)=O)cc3)nnc2n1 16689848 CGHNGKOPMLDOQA-UHFFFAOYSA-N 429.510 2.072 10 40 IECB COC(=O)[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 33390111 XQKODWVSKUJYJV-YDRQLGOLSA-N 426.425 2.106 10 40 IECB CN(C(=O)CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 33588170 SVKYRVGTZXUIPX-OIFAOYGWSA-N 436.580 2.090 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(N4CCCC4=O)c3)CC2)cc1 44904444 MEUGPIXBMBZTPM-UHFFFAOYSA-N 445.541 2.342 10 40 IECB C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3ccccc3O)CCN21 514289938 QLDHPONJORGGSV-REWPJTCUSA-N 429.948 2.439 10 40 IECB biogenic,in-vitro CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22809637 AYWDENMYRVZQHL-QHCPKHFHSA-N 437.588 2.358 10 40 IECB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)o1 33371524 CUSNGETURNMFRI-PDGQHHTCSA-N 425.441 2.304 10 40 IECB O=C(O)[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 33582923 ACSYYOFLXJNDKI-IYVNWDGISA-N 434.495 2.082 10 40 IECB C[C@@H](Oc1ccc(N)cc1)C(=O)OCCOCCOC(=O)[C@@H](C)Oc1ccc(N)cc1 253385245 RWRYQPFXSDMKCI-HZPDHXFCSA-N 432.473 2.189 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)c(OC)c1 409096783 GPEVLSNSFFSFRC-QGOAFFKASA-N 437.452 2.207 10 40 IECB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)N1CCCC1 106763830 RVPYOXZRGBORTM-ATVHPVEESA-N 446.485 2.090 10 40 IECB COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(Cl)ccc3OC)CC2)cc1 56997814 KMSUDAQFGOCSES-UHFFFAOYSA-N 446.935 2.234 10 40 IECB CCOc1ccc(N2CN=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n3C2)cc1 9070594 GYYDDUZVBMADDA-UDWIEESQSA-N 425.510 2.209 10 40 IECB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O 409227610 QTBBRAJXJMWSHS-FOWTUZBSSA-N 425.416 2.337 10 40 IECB COc1ccc(N2CCN(C(=O)c3ccccc3Cn3ccnc3)[C@@H](C(=O)N(C)C)C2)cc1 1848353142 JOUJTNIFRBLCJL-HSZRJFAPSA-N 447.539 2.359 10 40 IECB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S 8821641 QPDKGXVVCYDNTD-DKASORFFSA-N 434.495 2.189 10 40 IECB CCN(C(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S)[C@@H]1CCS(=O)(=O)C1 8972054 YXNDWSOISUPLKA-MLJKTZRHSA-N 442.559 2.063 10 40 IECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1O 408858787 SMCCOTNKZLQGFD-AWNIVKPZSA-N 442.340 2.274 10 40 IECB Cc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 16024888 HCNRHKZZSADFHD-HOKASXAUSA-N 449.507 2.168 10 40 IECB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 20802402 YMGSUZWZXSUJGB-OALUTQOASA-N 425.441 2.209 10 40 IECB COc1ccc(CCN2C(=O)NC(=O)/C(=C\NCc3ccc(F)cc3)C2=O)cc1OC 2424369 BJADOGRPLZGZML-GHRIWEEISA-N 427.432 2.138 10 40 IECB CN(C)CCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044580 FMNUCVJKWSGHRN-XMMPIXPASA-N 431.540 2.466 10 40 IECB COCCCN1C(=O)/C(=C/c2c(NCCCO)nc3c(C)cccn3c2=O)SC1=S 2244454 IALIDRVZIVHLMH-QINSGFPZSA-N 448.570 2.035 10 40 IECB CCc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccc(OC)cc4)CC3)N2)cc1 8758179 KTOVHHLFBYKLQW-NRFANRHFSA-N 435.528 2.263 10 40 IECB C[C@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 9348294 QZQTWQGURVLFCJ-LOOYKUIKSA-N 442.971 2.357 10 40 IECB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 408956605 XUZHSSVYJVHGMQ-CXUHLZMHSA-N 438.392 2.024 10 40 IECB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22809735 BRAWNIJERZSXNC-HSZRJFAPSA-N 437.588 2.413 10 40 IECB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=N)N21 20205731 TUEHALRFQVSZSG-PEMMUPCOSA-N 445.438 2.476 10 40 IECB CN1CCN(c2ccc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)CC1 217021644 MHHTUOQJFBHDHP-UHFFFAOYSA-N 436.965 2.393 10 40 IECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408535373 SLVGLLPEYBJIPF-WYMLVPIESA-N 432.440 2.448 10 40 IECB COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=S 409139557 BBQSIFNHTXQIDP-PDGQHHTCSA-N 445.566 2.348 10 40 IECB Cc1nn(-c2ccccc2)c(O)c1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 8934335 WNXOGZWHPGJZBX-GRRFOWRYSA-N 435.552 2.275 10 40 IECB O=C(c1ccco1)N(CCN1CCOCC1)C1CCN(c2ccc3c(c2)OCO3)CC1 19341958 FVYPLHYGEYNRAQ-UHFFFAOYSA-N 427.501 2.452 10 40 IECB CN(C)S(=O)(=O)N1CCN(Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)CC1 95473162 YLWMXGAONCASPE-UHFFFAOYSA-N 443.525 2.090 10 40 IECB biogenic COc1ccc(N2CCN(CC(=O)NCc3ccc4[nH]c(C)c(C)c4c3)[C@@H](C(N)=O)C2)cc1 257249106 JGVRNLSLHREVMV-HSZRJFAPSA-N 449.555 2.086 10 40 IECB O=C(O)[C@H]1N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 13555985 UXPNNSRPGORKSY-VGWMRTNUSA-N 431.242 2.058 10 40 IECB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCCN1CCOCC1 19893349 VFPJBFNNTZWHNA-SQFISAMPSA-N 425.601 2.178 10 40 IECB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NCCO)cc1 95471032 LXMBPGFPQSJJAU-CPNJWEJPSA-N 428.514 2.293 10 40 IECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(N)=O 409222354 CKIBQHJZORXFEK-OVCLIPMQSA-N 443.843 2.269 10 40 IECB Cc1nn(-c2ccccc2)c(O)c1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 13739217 WNXOGZWHPGJZBX-MLJKTZRHSA-N 435.552 2.275 10 40 IECB O=C1/C(=C\N2CCN(Cc3ccc4c(c3)OCO4)CC2)SC(=S)N1C[C@H]1CCCO1 101483285 WQYSHHVCGHXWTG-CXDFQFJYSA-N 447.582 2.414 10 40 IECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)N2CCc3ccccc32)cc1 10188417 XJISUBFOYGVWIT-GMAHTHKFSA-N 436.556 2.268 10 40 IECB CC[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O 217015796 CBDNUQJARQXXKF-JOCHJYFZSA-N 444.601 2.299 10 40 IECB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(N)=O 9188721 SPOQSAVLBHMJTO-YBEGLDIGSA-N 443.506 2.106 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@@H](C)C(=O)O)C2=O)c(OC)c1 409193729 LSFJEVCBJJWDBR-XBUHWIKASA-N 440.408 2.222 10 40 IECB COc1ccc(N2CCN(C(=S)NC(=O)c3cccc([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 9064482 OWCHZBHCFICAHH-UHFFFAOYSA-N 445.457 2.349 10 40 IECB COc1ccc(/C=C2\SC(=S)N(CC(=O)NCCCn3ccnc3)C2=O)cc1OC 9187683 KXZIECUCOQETSV-BOPFTXTBSA-N 446.554 2.308 10 40 IECB COC(=O)c1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)cc1 9187615 MOYOIJKZXQENOR-WISAJEAXSA-N 448.566 2.438 10 40 IECB O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 8791751 SLRNLKYCVLLHLA-HBIPQXQFSA-N 441.534 2.288 10 40 IECB biogenic O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1O 408946623 ATBWKLAREZEVCO-NYYWCZLTSA-N 431.744 2.349 10 40 IECB CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(OC)cc3OC)C1=O)OCO2 409102163 CVOJXVBHAOBIPN-AUWJEWJLSA-N 440.408 2.498 10 40 IECB COc1ccc2c3c(n(CCS(=O)(=O)N(C)C)c(=O)c2c1OC)-c1ccccc1C3=O 604406008 XOQWBSNQQASCOW-UHFFFAOYSA-N 442.493 2.122 10 40 IECB biogenic COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(N5CCOCC5)cc4)C[C@H]32)c(OC)n1 72392590 XZJOVDQJXSXDGJ-SNYIIPAISA-N 440.544 2.060 10 40 IECB COc1ccc(N2CCN(C(=O)C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)cc1 9421999 LSWBBAXIDXBIFU-UHFFFAOYSA-N 429.473 2.008 10 40 IECB CN(C)c1ccc([C@@H]2C/C(=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)NN2)cc1 13591256 BSBMFOPVXXQCHL-QCPHZMBFSA-N 425.876 2.482 10 40 IECB CCN(C(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 13572681 WPABPHYERKCDAZ-WJQTUHTMSA-N 442.559 2.063 10 40 IECB C/C(NCCN1CCNCC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100095587 PZFTZJFWUXQIBE-NTCAYCPXSA-N 438.479 2.330 10 40 IECB CCOc1c(Br)cc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1OC 409213731 SVCAKKMNEFZOKL-WDZFZDKYSA-N 429.292 2.087 10 40 IECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(Cl)c3)C2=O)cc1C 409227909 XFHJWSOELWTZLW-OVCLIPMQSA-N 427.844 2.487 10 40 IECB CS(=O)(=O)Oc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 6144812 SEKHTFNFTZJYEN-DIQJHTJGSA-N 427.467 2.087 10 40 IECB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 27016612 FGIVIHRGYBTBGM-BHSJKCHDSA-N 430.555 2.448 10 40 IECB COc1ccc(/C=C2/C(=O)NC(=S)N(C)C2=O)cc1COc1ccc(NC(C)=O)cc1 2278105 ANVOPOCREMIXBU-WQRHYEAKSA-N 439.493 2.489 10 40 IECB CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3cc(C)ccc3O)CC1)C2=O 19699535 NDTLYIHOMSAZQI-UHFFFAOYSA-N 444.532 2.208 10 40 IECB CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 22665995 PZWULXFGTIASOH-FQEVSTJZSA-N 434.518 2.013 10 40 IECB CN1CCN([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccc(N(C)C)cc2)CC1 22809783 REJOJFRPJFIACH-OAQYLSRUSA-N 445.514 2.074 10 40 IECB COc1cc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc(OC)c1OC 34257695 XDTXRSLRTGBQNY-SEEODLKFSA-N 441.483 2.232 10 40 IECB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O 408549627 VXLVSUJHQHGXFH-OVCLIPMQSA-N 428.401 2.077 10 40 IECB Cc1c2c(cc(=O)n1Cc1ccc3c(c1)OCO3)N[N@@H+](c1nc3ccccc3s1)C2=O 669458777 UMHKOJCGDNZZQG-UHFFFAOYSA-O 433.469 2.241 10 40 IECB COc1ccc(-n2nnnc2CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 23134871 XWUKTUHLVNLWHT-UHFFFAOYSA-N 442.907 2.048 10 40 IECB C[C@@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 9252640 FJZQFXAYGVTOAI-VHSBBYLZSA-N 442.971 2.357 10 40 IECB COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 13504253 FOPGDBJUFCHBAO-JOCHJYFZSA-N 439.539 2.436 10 40 IECB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20046267 UQTKZPMXHAWPIO-UHFFFAOYSA-N 443.569 2.379 10 40 IECB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N2CCN(C(C)=O)CC2)SC1=S 618254913 JVXCOAIKFUQHRS-SKQHNDAPSA-N 447.582 2.027 10 40 IECB CCOCCCN1C(=O)/C(=C/c2c(NCCO)nc3ccc(C)cn3c2=O)SC1=S 2338450 DOOSCWFEZTUNRD-PTNGSMBKSA-N 448.570 2.035 10 40 IECB COC(=O)Cn1cc(/C=C2/C(=O)N=C(O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 13810105 QZPHLPLNHVQFKM-PXNMLYILSA-N 447.403 2.414 10 40 IECB CCOc1cccc([C@@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)c1O 15276152 ZELOXWZXUZMIEU-ORQYLMBXSA-N 440.452 2.093 10 40 IECB biogenic,in-vitro CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=N)N2O1 20332123 ZEIGFAXQHLXTRH-FYVIMBDTSA-N 448.464 2.489 10 40 IECB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409071511 PERMYMAZQGNGOL-UHFFFAOYSA-N 430.800 2.375 10 40 IECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/NNC(=S)Nc2ccccc2)C1=O 2422143 ISFMFSIZKCSPDI-OWBHPGMISA-N 425.470 2.043 10 40 IECB COc1ccccc1N1C(=O)/C(=C/Nc2ccccc2N2CCOCC2)C(=O)NC1=S 17251261 QWUNISDVQDLPKH-CCEZHUSRSA-N 438.509 2.276 10 40 IECB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 224325335 MEUCLMLIXWFLTG-KRWDZBQOSA-N 447.557 2.003 10 40 IECB COc1ccc(N2CCN(C3=NC(=O)C[C@@H](C(=O)Nc4ccc(Cl)cc4)N3)CC2)cc1 8758206 ZAGMWYCBMPXAMP-IBGZPJMESA-N 441.919 2.354 10 40 IECB CC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O 113945445 WDOSFKAZESGXGN-OAQYLSRUSA-N 431.558 2.384 10 40 IECB CCOc1ccc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(Cl)cc54)c(=O)n3C2)cc1 2233121 DAFGHLYYFIUDNB-ZCXUNETKSA-N 440.912 2.168 10 40 IECB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 9429817 BFFUHYPCNYJIBS-NASPGAHYSA-N 428.582 2.156 10 40 IECB COC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 108120024 OJZLDNLDQZEJMD-ZSOIEALJSA-N 431.788 2.261 10 40 IECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)O 409012243 KBUFJOTVYVKUEO-GJSJWPQCSA-N 428.372 2.353 10 40 IECB CCN(C(=O)[C@H](C)N1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 62825012 BOSHFUUYXQYLIF-UYLKYBOVSA-N 444.625 2.373 10 40 IECB COc1ccc(N2CCN(C(=O)Cn3nc(C)n4c(cc5ccsc54)c3=O)CC2)cc1 12088504 OYXYOQZVNZLOIL-UHFFFAOYSA-N 437.525 2.377 10 40 IECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)c2ccc(N(C)C)cc2)CC1 22809596 RCFUDMLEMIAOHP-NRFANRHFSA-N 443.979 2.449 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c(C)c1 22809715 WKDCAODSUVKBDR-QHCPKHFHSA-N 437.588 2.413 10 40 IECB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1CC(=O)N1CCOCC1 107744987 NWJXOLYTUNIRBU-QNGOZBTKSA-N 444.491 2.270 10 40 IECB C[C@H](C(=O)NCCc1cnc[nH]1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 33582685 HNBNKCCGYPDGQT-PFJSLNBISA-N 430.511 2.087 10 40 IECB CC[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O 113945442 WDOSFKAZESGXGN-NRFANRHFSA-N 431.558 2.384 10 40 IECB Cc1ccc(N(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C 216934797 OXMJZDSKKPANHG-UHFFFAOYSA-N 444.601 2.138 10 40 IECB O=C(CCCCCN1C(=O)/C(=C/c2ccco2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 9253417 BUYCHCQZIBPGQV-LKKYZFDUSA-N 440.568 2.468 10 40 IECB COc1ncccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 31482806 OXMCDCOZWPWNDG-UHFFFAOYSA-N 443.481 2.185 10 40 IECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)O 106119231 ZLLSXLBHXFNCHA-QPEQYQDCSA-N 447.241 2.383 10 40 IECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(N)=O)C2=O)cc1C 409227794 WXPDJYDREBCMNF-CXUHLZMHSA-N 427.844 2.487 10 40 IECB COc1cc(C(=O)NN2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)ccc1O 1776025 VTZBKVYVWQEIAM-PFONDFGASA-N 427.463 2.269 10 40 IECB COc1cccc([C@@H]2N[C@](C)(C(=O)O)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c1O 9971941 PFTNSCOIHWRMNH-YJXLLHPSSA-N 430.844 2.348 10 40 IECB Cn1c(=O)n(C)c2cc(/C=C3/C(=O)NN(c4cccc(Br)c4)C3=O)ccc21 16363871 UWLYKGOXCGRZBC-ZSOIEALJSA-N 427.258 2.101 10 40 IECB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 248099030 IYWKNORQGIPWJY-QXAKKESOSA-N 445.431 2.305 10 40 IECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)OC 408912493 HEXMTIGCZMRYTO-CXUHLZMHSA-N 442.399 2.443 10 40 IECB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N21 20205849 SCKSBYCRYBRUHK-PEMMUPCOSA-N 445.438 2.476 10 40 IECB Cc1c(N/C=C2/C(=O)NC(=S)N(C3CCCCC3)C2=O)c(=O)n(-c2ccccc2)n1C 2240806 GIYOZUITKLQMNY-LGMDPLHJSA-N 439.541 2.356 10 40 IECB COc1ccc(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1 2688798 QOSMBLKSKMBPJS-UHFFFAOYSA-N 442.541 2.279 10 40 IECB CCOc1cc(Br)c(Br)c(C=C2C(=O)NC(=O)NC2=O)c1O 16688138 BRCQZMGJPRZVOU-UHFFFAOYSA-N 434.040 2.065 10 40 IECB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 18325096 LTWRYPVZOXYTGW-OAQYLSRUSA-N 437.496 2.326 10 40 IECB COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 30770071 UTCYFXBXELSBQR-CXUHLZMHSA-N 436.873 2.372 10 40 IECB COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 33614628 BJGNMXXDJRXVQV-UHFFFAOYSA-N 434.514 2.066 10 40 IECB COCCN(CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc(OC)c(OC)c1 83902712 KLTSDCXBSDIWKJ-UHFFFAOYSA-N 433.549 2.018 10 40 IECB COc1cccc(N([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 220179053 FQWXWKTZAIFUMK-KRWDZBQOSA-N 447.557 2.003 10 40 IECB CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(C)cc3)C[C@H]2C(=O)O)SC1=S 256055276 AJWJMXJAIFFCRD-BUYRESAOSA-N 433.511 2.123 10 40 IECB COc1ccc(N2CCN(C(=O)[C@H](C)N(c3ccc(F)cc3)S(C)(=O)=O)CC2)cc1 218448968 IPCRIZTWKUWULH-INIZCTEOSA-N 435.521 2.338 10 40 IECB CN1CCN([C@H](CNS(=O)(=O)c2cccc(F)c2)c2ccc3c(c2)CCN3C)CC1 22735848 SNCNNLUFNUANTK-JOCHJYFZSA-N 432.565 2.085 10 40 IECB C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 113956726 KWONTVSMWAZOBW-MRXNPFEDSA-N 435.521 2.133 10 40 IECB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 10113345 DIUYLAJPPOEENL-UHFFFAOYSA-N 437.949 2.259 10 40 IECB COc1ccc(N2CCN(Cc3nnnn3CCc3ccc(OC)c(OC)c3)CC2)cc1 13505592 IBOLQEAOTUFPAZ-UHFFFAOYSA-N 438.532 2.264 10 40 IECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cc(OC)ccc1OC 408992251 SOAPRUIPNBECHG-UHFFFAOYSA-N 426.425 2.431 10 40 IECB Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2366664 WSBOWKVBMXMIDY-WJDWOHSUSA-N 443.598 2.364 10 40 IECB CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(OC)ccc3OC)nnc2n1 16689845 BIDOMXBIJWJADM-UHFFFAOYSA-N 432.510 2.131 10 40 IECB Cc1cccc(C)c1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 10113355 VVRCXIJIVVEGFB-UHFFFAOYSA-N 431.558 2.222 10 40 IECB CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22809804 GBJQNTRAQSCIAJ-QHCPKHFHSA-N 437.588 2.358 10 40 IECB CCCCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 27016700 AXPDACFYRIGESK-JQIJEIRASA-N 443.598 2.448 10 40 IECB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCC(=O)N1CCOCC1 33452485 WDRLPPYRACANTP-AQTBWJFISA-N 441.871 2.039 10 40 IECB CN1CCN([C@@H](CNS(=O)(=O)c2cccc(F)c2)c2ccc3c(c2)CCN3C)CC1 22735845 SNCNNLUFNUANTK-QFIPXVFZSA-N 432.565 2.085 10 40 IECB CN1CCN([C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)c2ccc(N(C)C)cc2)CC1 22809603 RCFUDMLEMIAOHP-OAQYLSRUSA-N 443.979 2.449 10 40 IECB CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1I 9057132 LOBVTUBOXAHTJY-UHFFFAOYSA-N 430.267 2.289 10 40 IECB O=C1/C(=C/c2c(SCCO)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 16713522 JOCCJEDQVNJFEO-XTCQQWIJSA-N 449.579 2.159 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c(C)c1 22809722 WKDCAODSUVKBDR-HSZRJFAPSA-N 437.588 2.413 10 40 IECB O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 36594836 FIRNPQVFRCHFBT-KXPJREEDSA-N 434.564 2.261 10 40 IECB CN(CCCC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 219722444 WCMVGBOKLZICEC-UHFFFAOYSA-N 431.558 2.240 10 40 IECB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N21 20205716 RCJBYHOINCVLAD-GHZHVEGCSA-N 444.450 2.266 10 40 IECB CCCn1c(N)c(C(=O)CN(Cc2ccccc2)c2ccc(OC)cc2)c(=O)n(C)c1=O 10395200 YKYZFQVNPXEHLF-UHFFFAOYSA-N 436.512 2.437 10 40 IECB COC(=O)[C@H](C)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044770 VXNAHUMJGZBIRQ-WNSKOXEYSA-N 446.507 2.466 10 40 IECB COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1cccs1 57415961 OGPVPFMUZBNIKJ-FQEVSTJZSA-N 442.541 2.360 10 40 IECB CC(=O)Oc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1Br 408760007 PVVGJHOWYSLGAI-UHFFFAOYSA-N 448.092 2.051 10 40 IECB C[C@@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 13573827 QZQTWQGURVLFCJ-VOFDWMSLSA-N 442.971 2.357 10 40 IECB O=C1c2ccccc2C(=O)c2c1c(C(=O)N1CCN(c3ncccn3)CC1)c1ccccn21 95476685 SGBZDZQNWVSCGK-UHFFFAOYSA-N 437.459 2.467 10 40 IECB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 408549422 SNHVFYXBQQRNTG-OVCLIPMQSA-N 428.401 2.077 10 40 IECB O=C(O)CCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 2319804 PINJUEZXLSJKEQ-OWBHPGMISA-N 444.538 2.361 10 40 IECB CCCOc1c(I)cc(C=C2C(=O)NC(=O)NC2=O)cc1OCC 408809707 IIFGJXLHNYNXRT-UHFFFAOYSA-N 444.225 2.228 10 40 IECB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCC(=O)O)C1=O 2247564 ZWSWHHHAYIBBFS-LCYFTJDESA-N 432.527 2.438 10 40 IECB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 22665992 PZWULXFGTIASOH-HXUWFJFHSA-N 434.518 2.013 10 40 IECB COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1O 103108336 BRJSOLYVLFDCOG-JJIJXQAVSA-N 427.486 2.423 10 40 IECB O=C(CCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)N[C@H]1CCS(=O)(=O)C1 13654975 HKRKHZHGCGYAFF-QTNMRXCUSA-N 442.559 2.110 10 40 IECB COc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1 23134854 WXQJNXWVWMGROC-UHFFFAOYSA-N 442.907 2.291 10 40 IECB CN(C)c1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1 9009514 XHPGTQHSPDYRQD-SFHVURJKSA-N 447.513 2.256 10 40 IECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2=O)cc1 408531341 KIDDIACGIPMHTL-MHWRWJLKSA-N 441.356 2.481 10 40 IECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 409226340 VESKTGKRTWDFBN-UHFFFAOYSA-N 445.884 2.280 10 40 IECB COCCn1nnnc1[C@@H](c1ccccc1OC)N1CCN(c2ccc(OC)cc2)CC1 13504277 FCVVGZNQZRHUCK-JOCHJYFZSA-N 438.532 2.248 10 40 IECB CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)N3CCOCC3)ccc21 19830600 ZVBGSOAQKBQRPZ-QFIPXVFZSA-N 428.577 2.007 10 40 IECB O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(O)c(CN3CCN(CCO)CC3)c2o1 20605033 LMMZNLSUJJCVCC-UHFFFAOYSA-N 448.475 2.382 10 40 IECB biogenic O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/Nc1nc[nH]n1 408528041 DYHFPHIDPNZOAG-WOJGMQOQSA-N 432.484 2.851 10 40 IECB COc1cccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)c1O 13576548 WXMXYEWFASGUQI-LCYFTJDESA-N 436.205 2.467 10 40 IECB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 22735014 XSEUZXIFBSVXGP-XMMPIXPASA-N 449.599 2.421 10 40 IECB COc1ccc(N2CCN(C(=O)CCN3CCN(Cc4cccc(O)c4)CC3)CC2)cc1 72308311 QZRKXHXZTKBYKR-UHFFFAOYSA-N 438.572 2.257 10 40 IECB O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1N=Nc1ccc(S(=O)(=O)O)cc1[N+](=O)[O-] 245239391 IMUHQHZZOKAAQS-UHFFFAOYSA-N 432.348 2.412 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3O[C@H](C)C(=O)O)C2=O)cc1 409254217 WEIUVNOSXMVZEH-PILJQMSFSA-N 440.408 2.222 10 40 IECB Cc1ccc2nc(NCCOCCO)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2363787 DHJGWFFMRYZGMC-GDNBJRDFSA-N 448.570 2.033 10 40 IECB COc1cc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)ccc1O 13562087 GNXSNDLGMDCLSZ-JYRVWZFOSA-N 436.205 2.467 10 40 IECB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccc(N(C)C)cc2)CC1 22809631 RSEGFXVTGFRQPI-OAQYLSRUSA-N 445.514 2.074 10 40 IECB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)ccc21 223867467 BQCVBZSHWZYAHV-UHFFFAOYSA-N 429.542 2.301 10 40 IECB CCN(c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1)S(C)(=O)=O 10010040 SPYYTDXKZIAYGO-UHFFFAOYSA-N 447.557 2.209 10 40 IECB CN1CCN(c2ccc(CNC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)cc2)CC1 217022752 RQOLQGNZPUXDFQ-UHFFFAOYSA-N 436.965 2.393 10 40 IECB CCOCCCN1C(=O)/C(=C/c2c(NCCO)nc3c(C)cccn3c2=O)SC1=S 2366504 QVQJROKOABQXGU-QINSGFPZSA-N 448.570 2.035 10 40 IECB CN1CCN([C@H](CNS(=O)(=O)c2ccccc2F)c2ccc3c(c2)CCN3C)CC1 22735797 LYJKJNRVWBJNGL-OAQYLSRUSA-N 432.565 2.085 10 40 IECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 100757693 VCAZERSLRQBALC-MTGKDYNDSA-N 446.463 2.004 10 40 IECB biogenic COc1cccc(C(=O)c2coc3ccc(O)c(CN4CCN(S(C)(=O)=O)CC4)c23)c1 604418479 XAAUNVGCWCKFKJ-UHFFFAOYSA-N 444.509 2.455 10 40 IECB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC)c(OC)c3)C2=O)cc1 9310844 VIDWVIAGXBYDSZ-GZTJUZNOSA-N 438.436 2.476 10 40 IECB COCCn1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2F)CC1 13504250 FUTJMQYXQYDFDN-QFIPXVFZSA-N 439.539 2.436 10 40 IECB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/NCCc3c[nH]c4ccccc34)C2=O)c1 2434440 NFOGWLCFLNBYDF-LGMDPLHJSA-N 434.452 2.484 10 40 IECB CC(C)CN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 27016710 CCUDJDDXJYBREZ-FOWTUZBSSA-N 443.598 2.304 10 40 IECB CCN1C(=O)C(=Cc2cc(I)c(O)c(OC)c2)C(=O)N(CC)C1=O 2773006 VSKATLUHUUBCQO-UHFFFAOYSA-N 444.225 2.219 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3OC)C2=O)cc1 409221379 PMOPJYAWLLMVTE-CPNJWEJPSA-N 437.452 2.207 10 40 IECB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 32772603 KBTLUMPJNLWBTA-LFIBNONCSA-N 443.569 2.380 10 40 IECB Cc1cccc(N([C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 220154494 KPMBPBHLTBYHJI-LJQANCHMSA-N 444.601 2.218 10 40 IECB CC[C@@H](C)N1C(=O)/C(=C\Nc2c(C(=O)OC)[nH]c3cccc(OC)c23)C(=O)NC1=S 9134088 JTQGCTLMIQMECJ-QLWWJYNRSA-N 430.486 2.301 10 40 IECB CCOc1ccc(N2CCN(C3=NC(=O)C[C@H](C(=O)Nc4ccc(F)cc4)N3)CC2)cc1 25185705 YLLIMEOJANJCKU-HXUWFJFHSA-N 439.491 2.230 10 40 IECB COc1ccc(N2CCN(CCNC(=O)c3ccc(OC)c(OC)c3OC)CC2)cc1 56997199 PENJTLJCZQJHHF-UHFFFAOYSA-N 429.517 2.273 10 40 IECB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1cccc(C(=O)O)c1 408913183 TXHAMJAVKOKFJT-OQLLNIDSSA-N 426.450 2.229 10 40 IECB Cn1c(=O)n(C)c2cc(/C=C3/C(=O)NN(c4ccc(Br)cc4)C3=O)ccc21 623492 GSDPBNWKMRPZRT-ZROIWOOFSA-N 427.258 2.101 10 40 IECB CC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(N(C)C)cc3)c(=O)n12 20161634 GOVXDZKTTZWQHH-FKSYJTAYSA-N 433.533 2.341 10 40 IECB COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1OCC(=O)N1CCOCC1 9476865 RZQLOQKHWHONCD-UHFFFAOYSA-N 441.528 2.271 10 40 IECB Cn1c(-c2ccccc2)cnc1SCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9715315 IMSNFSFLZPHBQB-ZWKOTPCHSA-N 449.598 2.374 10 40 IECB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OCC 26496118 FGDAKZNJEPYJPS-LFIBNONCSA-N 430.457 2.432 10 40 IECB Cc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 16024892 HCNRHKZZSADFHD-OIBPMIBVSA-N 449.507 2.168 10 40 IECB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc4c(c3)n(C)c(=O)n4C)C2=O)c(C)c1 408526603 BRNILTKAXDIJLJ-LFIBNONCSA-N 433.468 2.381 10 40 IECB CN(C(=O)CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9348229 SINMJAHHRCAWRT-XYGUXCPDSA-N 438.596 2.314 10 40 IECB C[C@@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 9429848 KWGTVODLZUDOMP-SGOJWPIJSA-N 434.564 2.259 10 40 IECB COc1cccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@H]3C(=O)N(C(C)C)C(=O)[C@@H]32)c1O 15277601 RLGWTPZWXAJVMW-YDLHNXBPSA-N 438.480 2.121 10 40 IECB O=C(O)COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2O)C1=O 16930004 DXLCXHQXAACTLK-DHDCSXOGSA-N 430.463 2.402 10 40 IECB COc1cccc([C@@H]2N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)c1O 100138183 RLGWTPZWXAJVMW-XMODTWTHSA-N 438.480 2.121 10 40 IECB C[C@H](C(=O)OCCOC(=O)[C@@H](C)OCc1ccc(N)cc1)c1c(N)cccc1C(=O)O 252011779 SOHHTTDWWLQHGP-UONOGXRCSA-N 430.457 2.344 10 40 IECB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 9720945 FUKLAHRSSWALTQ-IEMQHYRPSA-N 435.458 2.419 10 40 IECB CC(=O)N1CCN(c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2[N+](=O)[O-])CC1 12554129 QBWBHJWDNDEIII-UHFFFAOYSA-N 425.489 2.259 10 40 IECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccc(N(C)C)cc2)CC1 22809624 RSEGFXVTGFRQPI-NRFANRHFSA-N 445.514 2.074 10 40 IECB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 59418539 FOHFWKNHWAEQRB-LVSKKATPSA-N 437.521 2.457 10 40 IECB COc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc(OC)c1OC 8828393 XDTXRSLRTGBQNY-GARZTLJTSA-N 441.483 2.232 10 40 IECB Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(CC(=O)N3CCOCC3)SC2=NC1=O 9210656 BAVRCPKQCDMQNC-LQFYYXEQSA-N 436.497 2.344 10 40 IECB COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 13669981 YDHJOKIYUZUCNK-UHFFFAOYSA-N 447.557 2.386 10 40 IECB Cc1ccc(O)c(CN2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCOCC4)n3)C2)c1 19133587 JCJHGIHACMYQJC-PMACEKPBSA-N 439.560 2.067 10 40 IECB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 38201017 BJILEFDYEODUJJ-FNGUVFISSA-N 448.548 2.259 10 40 IECB CCCN1C(=O)/C(=c2\[nH]c(=O)/c(=C3/C=Cc4ccccc4N3CC)s2)SC1=S 100181418 OSJKGYNRKWPSGU-HHKVLAKUSA-N 429.592 2.476 10 40 IECB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)NC(C)(C)C)CC2)cc1 22698821 OFUPLJMZYZKQAR-UHFFFAOYSA-N 442.560 2.102 10 40 IECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)O 409012244 KBUFJOTVYVKUEO-VSXLWIIGSA-N 428.372 2.353 10 40 IECB CCN1CCN([C@H](c2ccc(N(C)C)cc2)c2nnnn2Cc2ccc3c(c2)OCO3)CC1 22929688 HQZXRZQTMKCQOT-HSZRJFAPSA-N 449.559 2.243 10 40 IECB CCN(CC)c1ccc(CNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 225334566 RTDAVDWWKSPXNU-UHFFFAOYSA-N 433.530 2.344 10 40 IECB COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)/C=C/c3ccccc3)CC2)cc1 9721700 SEHOWKPJNAOTSM-WQJNHMDYSA-N 429.542 2.323 10 40 IECB COc1cc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)ccc1OCC(=O)O 16196162 PTHKBDWFIPGLDH-VGOFMYFVSA-N 447.241 2.383 10 40 IECB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408917275 QFBDUXRAUUYEFF-OQLLNIDSSA-N 427.438 2.439 10 40 IECB COc1ccc(N2CCN(C(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)CC2)cc1 916467 TUIMBVFPCZILEM-UHFFFAOYSA-N 437.949 2.463 10 40 IECB COc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1OC 9210552 WUPUTCZCHCSATN-JJIJXQAVSA-N 427.486 2.335 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C)c(C)c3)CC2)cc1 9570063 UZQLRPJXSMNICX-UHFFFAOYSA-N 431.558 2.194 10 40 IECB CC(=O)c1cc2c(cc1NC(=O)COc1ccc(N3CCN(C(C)=O)CC3)cc1)OCO2 32956494 FCYUAUKRYDXPAO-UHFFFAOYSA-N 439.468 2.304 10 40 IECB COC(=O)[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33701842 YCRAIJFFXKAYSF-CDCQXCROSA-N 441.396 2.005 10 40 IECB COC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33708831 KIQNSSYPGARBLJ-GDNBJRDFSA-N 431.242 2.462 10 40 IECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccccc1 9290939 HVJQRFXAKCJLPG-SFTDATJTSA-N 436.512 2.224 10 40 IECB COC(=O)[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33701839 YCRAIJFFXKAYSF-ZENNRRHLSA-N 441.396 2.005 10 40 IECB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409046270 JUCZEZJQQJCJCA-NTUHNPAUSA-N 445.771 2.378 10 40 IECB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409005652 GDGDONXRZWTIMQ-UHFFFAOYSA-N 437.452 2.455 10 40 IECB COc1ccc(O)c([C@@H]2N[C@](C)(C(=O)O)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c1 19848603 UEGQDGLWFFLESP-DLRJPAPCSA-N 430.844 2.348 10 40 IECB O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2O)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 36083122 KINCSDVYYXRSBG-JKIFEVAISA-N 425.319 2.404 10 40 IECB CCOC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 12495109 QHIVQEPFEBLHHD-UGCAPWQASA-N 435.524 2.173 10 40 IECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccccc1Cl 409257235 PGOBCVBTWMYOCF-UHFFFAOYSA-N 429.816 2.116 10 40 IECB CN1CCN([C@@H](CNS(=O)(=O)c2cc(F)ccc2F)c2ccc(N(C)C)cc2)CC1 23080608 JCUCGDAKMJLVAD-FQEVSTJZSA-N 438.544 2.298 10 40 IECB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCC(C)C)c3ccco3)CC2)cc1 56946239 HEYLUGNKCYUQKM-HXUWFJFHSA-N 428.533 2.040 10 40 IECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(N)=O 409224081 KFGLMVCIZOTBDF-LICLKQGHSA-N 437.452 2.233 10 40 IECB CN(C)c1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCC(C(N)=O)CC2)cc1 1352533 NWTIHUDVYWOKCF-QFIPXVFZSA-N 433.560 2.269 10 40 IECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c(OC)c1 16914819 RONDYKLBFMBMHT-FQEVSTJZSA-N 449.573 2.122 10 40 IECB COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OC(C)=O 96193344 SJRGWLVIXOPLPT-YVLHZVERSA-N 429.454 2.074 10 40 IECB COc1ccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)c(=O)cc3OC)CC2)cc1 9573787 GIKXEEVBCUIVHP-UHFFFAOYSA-N 438.459 2.351 10 40 IECB CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1O 41085244 PUTJENZUWDKIJI-AQINLTQESA-N 436.515 2.438 10 40 IECB COc1cc(-c2nnc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n23)cc(OC)c1OC 3641668 HQWDOYHACMVGLV-VCHYOVAHSA-N 438.509 2.458 10 40 IECB CN1CCc2cc([C@H](CNS(=O)(=O)c3cc(F)ccc3F)N3CCOCC3)ccc21 22735631 NKOSNFAPIBTBRD-FQEVSTJZSA-N 437.512 2.309 10 40 IECB CCN1C(=O)C(=Cc2ccc(OCC(=O)OC(C)C)c(OC)c2)C(=O)N(CC)C1=S 408601583 KOWVAQAOTQDAGR-UHFFFAOYSA-N 434.514 2.405 10 40 IECB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 13575108 BLVBLAAPSUBWKO-CKXDQPNJSA-N 442.971 2.358 10 40 IECB CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccc(N4CCOCC4)cc3)ccc21 15360955 IKJXXYXFTKMDIC-UHFFFAOYSA-N 429.542 2.253 10 40 IECB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O 408549490 UKRYPRNMRFSBCT-LICLKQGHSA-N 425.441 2.255 10 40 IECB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCOCC3)ccc21 13008709 LJYNSQUKOIRNDH-QFIPXVFZSA-N 440.519 2.336 10 40 IECB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N[C@@H]3CSC[C@H]3O)C2=O)cc1 54361077 JDVWDXIKGAWIGI-UBPCNIQCSA-N 438.596 2.269 10 40 IECB CN(C(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)[C@H]1CCS(=O)(=O)C1 9302862 HWCWPIHXOTVAST-OJNRTJSBSA-N 442.559 2.063 10 40 IECB CC(C)OC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 33551674 CIQWIECZGNVHJF-WJDWOHSUSA-N 425.397 2.387 10 40 IECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 12607881 KLQQFBQKIJESOT-UHFFFAOYSA-N 429.542 2.236 10 40 IECB CCS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCO2 13669272 AHOAXSLDHWHKTE-UHFFFAOYSA-N 445.541 2.488 10 40 IECB COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33797606 AVUZLJSYBIARKD-QPEQYQDCSA-N 431.788 2.261 10 40 IECB C[C@@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 13573831 QZQTWQGURVLFCJ-PUNKOENLSA-N 442.971 2.357 10 40 IECB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cccc4nonc34)cc2)C1 13949124 LDUHRRFDKHQLMS-CYBMUJFWSA-N 436.515 2.444 10 40 IECB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3F)N3CCOCC3)ccc21 22735711 UWLXURUZUWJVDL-HXUWFJFHSA-N 437.512 2.309 10 40 IECB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NC1CC1 409149390 DXHHQCUWFMZPTD-VCHYOVAHSA-N 432.436 2.175 10 40 IECB CCOC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 5947899 SSJGZMJOTLCVBM-UHFFFAOYSA-N 434.514 2.148 10 40 IECB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 13574856 CGPUIQAUKIUJQH-FFOBGPNNSA-N 442.559 2.061 10 40 IECB CCOC(=O)Cn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2cc(Br)ccc21 59087249 GOYNZIAEAPMBQP-UHFFFAOYSA-N 448.273 2.401 10 40 IECB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)O 33525535 SULSBDTYEXEEEZ-RIYZIHGNSA-N 447.241 2.383 10 40 IECB CC[C@@H](C)N1C(=O)/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 2304366 YGKIEHRGXAWUEV-DKXRRRNBSA-N 448.570 2.115 10 40 IECB COc1ccc(N2CCN(C(=O)CSc3nc4ccsc4c(=O)n3C)CC2)cc1 26106346 NQAFVIDIGVTFAE-UHFFFAOYSA-N 430.555 2.445 10 40 IECB Cn1c(-c2ccccc2)cnc1SCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9715306 IMSNFSFLZPHBQB-ROUUACIJSA-N 449.598 2.374 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c(C)c1 22734532 UTCQSURPUDBCSH-DEOSSOPVSA-N 449.599 2.339 10 40 IECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1I 409246518 CEZHUUSBQCXINS-KPKJPENVSA-N 449.204 2.361 10 40 IECB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](/C=C\N=[N+]([O-])c1ccccc1)OC(C)=O 104077478 WADIVQPFIKQONQ-ZXUYAZMASA-N 436.417 2.153 10 40 IECB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)O 408990615 OFSQNVFCCSOXBH-XNTDXEJSSA-N 426.450 2.380 10 40 IECB CCOc1cccc([C@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]23)c1O 9972020 ZELOXWZXUZMIEU-MIVHDCIWSA-N 440.452 2.093 10 40 IECB biogenic,in-vitro CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 22999042 HSYQDKZVUXSZLQ-QFIPXVFZSA-N 441.551 2.007 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1C 13007338 ALBXPIQZQMKAFT-QHCPKHFHSA-N 436.556 2.424 10 40 IECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59498620 VNZWIFUQOIEJHG-UHFFFAOYSA-N 444.381 2.218 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)/C=C/c3ccccc3)CC2)cc1 11796516 RVEPODORRQSUJC-MDWZMJQESA-N 443.569 2.367 10 40 IECB CN(C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 13575874 ULQIELKIJKZUTA-QTNMRXCUSA-N 442.559 2.063 10 40 IECB Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22734524 XWTXKBHFAOWYDK-HSZRJFAPSA-N 435.572 2.031 10 40 IECB COc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1 8757395 KXSNVVSYKOZLSU-SDXDJHTJSA-N 449.598 2.125 10 40 IECB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998914 AOZGBHUQUFEMEM-OAQYLSRUSA-N 440.544 2.198 10 40 IECB O=C(O)CCCCN1C(=O)/C(=C/N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)SC1=S 100788704 DFGQAXWJOJKGKL-FUELTZPDSA-N 433.555 2.224 10 40 IECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC 408953897 QJUAFFGDUQGIRM-AWNIVKPZSA-N 426.381 2.108 10 40 IECB CN(C)c1ccc(CN(C(=O)[C@H]2COc3ccccc3O2)[C@H]2CCS(=O)(=O)C2)cc1 4313007 YCPQPVTUKBLFGX-GHTZIAJQSA-N 430.526 2.108 10 40 IECB COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22733835 GLNWJRPZONRYTG-QFIPXVFZSA-N 438.572 2.171 10 40 IECB CN(C)c1ccc(CN[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)Nc4ccccc4)N3C2)cc1 22936859 QLIGAKHUJUPZCB-WWNPGLIZSA-N 435.572 2.202 10 40 IECB biogenic,in-vitro Cn1c(=O)n(C)c2cc(N/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)ccc21 408533427 SFIATTHDKLKTQR-ZRDIBKRKSA-N 425.832 2.109 10 40 IECB COCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 13427048 RBCUEKIECGYVRO-WZMONFQBSA-N 446.554 2.133 10 40 IECB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)s1 22735879 HFDXKYXUKPKHDB-HXUWFJFHSA-N 434.631 2.316 10 40 IECB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3n[nH]c(=O)c4ccccc34)C2=O)cc1 28629054 GMINXHMUSPIYTH-GDNBJRDFSA-N 438.490 2.478 10 40 IECB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C 408526488 CFHYYCKOKQMOIW-SDXDJHTJSA-N 446.511 2.432 10 40 IECB CN1C(=O)C(=Cc2cc(Br)c(I)o2)C(=O)N(C)C1=O 408848198 QPUQMOYPALZYQH-UHFFFAOYSA-N 439.003 2.081 10 40 IECB CC(C)([N+](=O)[O-])/[N+]([O-])=N/c1nonc1/N=N\c1nonc1/N=[N+](\[O-])C(C)(C)[N+](=O)[O-] 44932687 DGLXXZNVMNZYAG-SMMWTKOESA-N 428.282 2.082 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(Cl)cc3)CC2)cc1 9570072 QTPSYECYTRWZQE-UHFFFAOYSA-N 437.949 2.230 10 40 IECB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OC 9730644 HUUORBZOCSHWLL-WDZFZDKYSA-N 432.239 2.415 10 40 IECB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 102412997 ZJJMUANSPKIFSU-GHRIWEEISA-N 431.452 2.372 10 40 IECB Cc1cc(C)cc(N(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 216934701 VHJVKUJLAMBEML-UHFFFAOYSA-N 444.601 2.138 10 40 IECB CC1=C(NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 26780247 UIDOYBRMMIBRAD-HXUWFJFHSA-N 437.456 2.447 10 40 IECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OC(C)C 408807242 KTUGZLCIWDWDKQ-UHFFFAOYSA-N 444.225 2.227 10 40 IECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1cc(C)ccc1C 409263646 LWGOVTFJIQXQPS-UHFFFAOYSA-N 437.452 2.469 10 40 IECB CC[C@H](C)N1C(=O)/C(=C\Nc2c(C(=O)OC)[nH]c3cccc(OC)c23)C(=O)NC1=S 9134089 JTQGCTLMIQMECJ-RGAIUGGKSA-N 430.486 2.301 10 40 IECB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCC1 16032986 LPHRZKXEPHHPFN-CCIIEHSASA-N 447.491 2.004 10 40 IECB biogenic CC(=O)[C@@H](N=NC1CCC(S(=O)(=O)NB2N=CS2)CC1)C(=O)Nc1ccccc1C 263601533 LFZKXFUHAOGLCE-VMBOVVBDSA-N 449.367 2.334 10 40 IECB CN(C)c1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1 9009443 FJGCQGRRYVDQJI-LJQANCHMSA-N 447.513 2.256 10 40 IECB CC[S@](=O)c1ccccc1C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 9712523 WKLFGJFAOYVCKB-SSEXGKCCSA-N 430.526 2.328 10 40 IECB CCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22999017 ZLCNVDYHWQLWBY-QHCPKHFHSA-N 437.588 2.258 10 40 IECB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(O)c(I)c1 409241172 RVAWFLJSEPXYKK-IZZDOVSWSA-N 435.177 2.058 10 40 IECB Cc1cc(C)cc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 13675322 MTVAWYSDZAMWBC-UHFFFAOYSA-N 431.558 2.222 10 40 IECB COc1cc(OC)cc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733201 GOXONKQBSCUECZ-HSZRJFAPSA-N 425.529 2.499 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1C 22734529 RJLGGJPGIWMUOL-XMMPIXPASA-N 449.599 2.339 10 40 IECB O=C1NC(=S)NC(=O)C1=CNc1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 3067078 XVUIDLKFELECGG-UHFFFAOYSA-N 442.456 2.467 10 40 IECB C/C=C/C(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 8826372 ROAXDNAWANZZAA-GQCTYLIASA-N 446.525 2.417 10 40 IECB C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(S(N)(=O)=O)cc1 32863008 ALPOECPLAOUHKZ-MRXNPFEDSA-N 432.546 2.073 10 40 IECB CN(C(=O)CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)[C@@H]1CCS(=O)(=O)C1 33582252 SJJWVMIAGVCTHM-ZBQKXELDSA-N 444.987 2.187 10 40 IECB O=C1N=C(O)/C(=C/NCCCN2CCOCC2)C(=O)N1c1ccc(Br)cc1 103225523 NDDQETMPSBTHLC-QINSGFPZSA-N 437.294 2.068 10 40 IECB COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408724314 AWVYYQASMLAHDN-UHFFFAOYSA-N 444.381 2.218 10 40 IECB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S 12275001 NYWVITXIQNLGQE-VCHHOEMESA-N 434.495 2.333 10 40 IECB CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O 2376674 MKRDUZXIJLBSTP-NWFCWYBLSA-N 448.570 2.033 10 40 IECB O=C(CN1CCOCC1)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 14197206 OQQLWKWCLZHTPA-UHFFFAOYSA-N 448.361 2.284 10 40 IECB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733916 HMDHRKPEXCMHAK-QHCPKHFHSA-N 436.556 2.424 10 40 IECB Cc1c(N/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(=O)n(-c2ccccc2)n1C 9436143 IGXLUDREIJMUEK-QINSGFPZSA-N 435.415 2.202 10 40 IECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(N3CCCCC3)nc12 16741592 NSYASAUYLKOOJT-UVTDQMKNSA-N 444.538 2.279 10 40 IECB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCOCC3)ccc21 22734934 ZLGRTRVFVQTHIW-QFIPXVFZSA-N 440.519 2.336 10 40 IECB CCN1C(=O)/C(=c2/s/c(=C3/N(C)c4ccccc4C3(C)C)c(=O)n2CC)SC1=S 33702781 SUEWUYNYONLARP-GDSPCTNTSA-N 445.635 2.454 10 40 IECB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 408988038 GRSUQCAQBHWZPB-LDADJPATSA-N 440.477 2.468 10 40 IECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N(C)C)nc12 16700255 UWZGOFWCWMDJAK-OJNRTJSBSA-N 430.555 2.449 10 40 IECB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 20265267 QXLDGZAVTPKABL-QRVBRYPASA-N 445.431 2.305 10 40 IECB O=C(CCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 9252919 PHMBUWLQHBLWSZ-MKRLJBPISA-N 440.543 2.234 10 40 IECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccc(N(C)C)cc2)CC1 22809776 REJOJFRPJFIACH-NRFANRHFSA-N 445.514 2.074 10 40 IECB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC 224442239 SKBDLGPIASWANS-UHFFFAOYSA-N 447.557 2.241 10 40 IECB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)CCN2CCOCC2)C1)c1ccccc1 257248629 JEMYDJYVAVGPED-SFHVURJKSA-N 425.533 2.115 10 40 IECB CCN1C(=O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)C(C(=O)OC)=C1C 408879746 CXEFUVNJHCARSH-LDADJPATSA-N 437.452 2.227 10 40 IECB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccccc2F)SC1=S 9302818 VIMCYODAGUHURN-KQXKAXQNSA-N 442.559 2.061 10 40 IECB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 409186282 ZYCJCFINJBUYHH-SXGWCWSVSA-N 443.843 2.148 10 40 IECB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C)C(=O)O)C2=O)cc1OC 8870149 BMALATDMVISJAB-HGLKBHAMSA-N 438.527 2.275 10 40 IECB CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)CC1 14361507 QLTLKDVDRFESTR-FOWTUZBSSA-N 449.554 2.197 10 40 IECB Cc1cccc(C)c1N(CC(=O)NCc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 216936434 FSPNMOPHQHRIOO-UHFFFAOYSA-N 444.601 2.138 10 40 IECB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C(=O)N1CCOCC1 223875536 WQYHUMAKFIQPQI-UHFFFAOYSA-N 447.557 2.054 10 40 IECB COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964083 GMWJBOIHPIOXIM-HSZRJFAPSA-N 436.556 2.257 10 40 IECB COc1ccc(N2CCN(C(=O)[C@H](C)N(c3ccccc3F)S(C)(=O)=O)CC2)cc1 220301606 BQWHHKKLBNHKQX-INIZCTEOSA-N 435.521 2.338 10 40 IECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(OC)cc3OC)nnc2n1 9637350 HPWBVUBRLYEJOV-UHFFFAOYSA-N 432.510 2.131 10 40 IECB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N3CCCC3)ccc21 8964068 LYNZBSKDSJOPMZ-FQEVSTJZSA-N 436.512 2.299 10 40 IECB CCCc1cc(=O)oc2c(CN3CCN(S(=O)(=O)N(C)C)CC3)c(O)c(Cl)cc12 79485448 XIUIFXSQZOWNSR-UHFFFAOYSA-N 443.953 2.029 10 40 IECB C[C@H](Oc1ccc(N)cc1)C(=O)OCCOCCOC(=O)[C@@H](C)Oc1ccc(N)cc1 253385246 RWRYQPFXSDMKCI-IYBDPMFKSA-N 432.473 2.189 10 40 IECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc([N+](=O)[O-])c1O 408942316 ZBSVMYBNHDJKKN-NTUHNPAUSA-N 441.352 2.064 10 40 IECB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409212933 SIXPLYDEWOWKEP-YBEGLDIGSA-N 430.438 2.444 10 40 IECB Cc1cc(C(=O)CSc2nnc(N)n2C2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 12522914 CITUOCKAWZLTOD-UHFFFAOYSA-N 446.558 2.225 10 40 IECB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\N[C@@H](CO)Cc1ccccc1 20623329 AGQQNWVLAIOJAU-QJISPJEISA-N 444.285 2.109 10 40 IECB COc1cccc(OC)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22589117 YVHAZSOGXFKUJA-HXUWFJFHSA-N 426.561 2.488 10 40 IECB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 22665987 GTXIAOMGSXITNX-IBGZPJMESA-N 434.518 2.013 10 40 IECB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NCCO)cc1 101148332 VELDPSCFTXYAPD-LDADJPATSA-N 434.905 2.329 10 40 IECB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 225567732 NUWXUGUMWIUJIM-UHFFFAOYSA-N 429.542 2.238 10 40 IECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(N)=O 409220439 ZNSPQXKOGOGPAI-RIYZIHGNSA-N 443.843 2.269 10 40 IECB COc1ccc(N2CCN(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1 14195331 KVDFGDPNCQZKGL-UHFFFAOYSA-N 435.528 2.254 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1C 22734526 RJLGGJPGIWMUOL-DEOSSOPVSA-N 449.599 2.339 10 40 IECB C[C@@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 36594043 QZQTWQGURVLFCJ-CRDGFYCKSA-N 442.971 2.357 10 40 IECB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1N1C(=O)CCC1=O 225081761 NJSHMXXTAVFMPD-UHFFFAOYSA-N 443.525 2.427 10 40 IECB COc1cc(-c2nnc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n23)cc(OC)c1OC 3641671 HQWDOYHACMVGLV-ZDLGFXPLSA-N 438.509 2.458 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1F 22998951 YFKDGUDJXIKRCF-OAQYLSRUSA-N 428.508 2.328 10 40 IECB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCCC(C)C)c3ccco3)CC2)cc1 56945983 GOSVZYRXPFIFSQ-NRFANRHFSA-N 442.560 2.430 10 40 IECB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1O[C@H](C)C(=O)O 409223926 GRJDKORIYZYXQY-PKVLTRFUSA-N 426.450 2.378 10 40 IECB COc1ccc(N2CCN(C(=O)COC(=O)c3cncc(Br)c3)CC2)cc1 3555491 TXAXNAOIYMMOBQ-UHFFFAOYSA-N 434.290 2.358 10 40 IECB C[C@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 13572535 LWRYXBSUBVADPG-VTRAVEPZSA-N 442.971 2.357 10 40 IECB COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1OC 22589128 GQESYQMZITWDOF-OAQYLSRUSA-N 426.561 2.488 10 40 IECB COc1ccc(N2CCN(C(=O)COC(=O)C34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)CC2)cc1 18255860 UDOGQZYAKZNMIT-ISVJADKWSA-N 428.529 2.218 10 40 IECB CCN(CC)c1ccc(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 225376396 DMKVJGYGGDKFTE-UHFFFAOYSA-N 447.557 2.386 10 40 IECB O=C(CCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 9252913 PHMBUWLQHBLWSZ-QTNMRXCUSA-N 440.543 2.234 10 40 IECB CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(N(C)C)cc3)c(=O)n12 20161636 GOVXDZKTTZWQHH-VCNDJGTRSA-N 433.533 2.341 10 40 IECB CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(C)cc3)C[C@@H]2C(=O)O)SC1=S 256055277 AJWJMXJAIFFCRD-WJQTUHTMSA-N 433.511 2.123 10 40 IECB CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)NC2=S)c1 409009978 IYKUBDSVGNOVCC-GHRIWEEISA-N 427.482 2.346 10 40 IECB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2ccccc2F)SC1=S 36597396 VIMCYODAGUHURN-KQAANWFRSA-N 442.559 2.061 10 40 IECB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCN(C)CC4)cc3)ccc21 223502959 PVLOABMNGHTGAX-UHFFFAOYSA-N 442.585 2.216 10 40 IECB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O 409230390 CSDCDKMUCULHDJ-WOJGMQOQSA-N 425.416 2.337 10 40 IECB C[C@@H]1O[C@@H](O[C@@H]2CCCc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@@H]1O 5215380 JVCZXJYDGGNFSK-DFHCSUQFSA-N 439.464 2.090 10 40 IECB CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)CC1 9046852 NAPSBEYPGDBVNN-VBKFSLOCSA-N 449.554 2.197 10 40 IECB CCCCN1C(=O)[C@@H]2[C@@H](c3cc(Br)ccc3O)N[C@@](C)(C(=O)O)[C@@H]2C1=O 12420017 ZFHYRRQDRMRWQZ-UYAYXHRUSA-N 425.279 2.044 10 40 IECB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCC1 16032984 LPHRZKXEPHHPFN-DUHPJZPXSA-N 447.491 2.004 10 40 IECB biogenic CCOc1cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)ccc1OCC(=O)OC 409214304 XHUGXVQZESYTLC-ZSOIEALJSA-N 425.484 2.011 10 40 IECB CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 10907293 OQFNMEPLCNIVTM-UHFFFAOYSA-N 431.558 2.023 10 40 IECB COc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc1OC 20206999 YDTUTNDVMMXZNJ-AQINLTQESA-N 436.515 2.351 10 40 IECB O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225507343 FDHDRFHYSCVOOM-HXUWFJFHSA-N 443.569 2.240 10 40 IECB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCC(N)=O)c(OC)c3)C2=O)cc1 671052 PYKUJWKOTDMNRI-OQLLNIDSSA-N 425.397 2.075 10 40 IECB CN(C(=O)CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 9348231 SINMJAHHRCAWRT-DLEKYWELSA-N 438.596 2.314 10 40 IECB CCCCCCN1C(=O)NC(=O)/C(=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 100463704 HICDEVOITSXOSY-SAPNQHFASA-N 425.489 2.439 10 40 IECB COc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22589432 JCPKERBAKKIGCC-QHCPKHFHSA-N 426.561 2.245 10 40 IECB CCCCN1C(=O)[C@H]2[C@H](c3cc(Br)ccc3O)N[C@@](C)(C(=O)O)[C@@H]2C1=O 100166666 ZFHYRRQDRMRWQZ-KHSSZTOVSA-N 425.279 2.044 10 40 IECB CN(C(=O)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)[C@H]1CCS(=O)(=O)C1 13573681 SJJWVMIAGVCTHM-QENILXLESA-N 444.987 2.187 10 40 IECB Cc1c(N/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 100792614 DRQRBFOUKVMRKM-QGOAFFKASA-N 431.452 2.059 10 40 IECB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409224431 LJQBWTFEFFHGQO-UHFFFAOYSA-N 443.843 2.424 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccccc3C)CC2)cc1 11796470 HWQVTFDJIKKJFG-UHFFFAOYSA-N 431.558 2.276 10 40 IECB COC(=O)c1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)cc1 13571958 MOYOIJKZXQENOR-BQGMYUGNSA-N 448.566 2.438 10 40 IECB Cn1ccnc1C(=O)c1ccc(NCc2ccc(N3CCNC(=O)C3)cc2)c([N+](=O)[O-])c1 48302787 YKCZXAKESVAOPI-UHFFFAOYSA-N 434.456 2.108 10 40 IECB COc1ccc(CCN2C(=O)NC(=O)/C(=C\Nc3ccccc3C(=O)O)C2=O)cc1OC 9209685 WLBRNRAIIWNESX-NTCAYCPXSA-N 439.424 2.019 10 40 IECB COc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)cc1 19497867 RWTIOPWXXJGZNM-GAJHUEQPSA-N 445.585 2.261 10 40 IECB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NCCO)cc1 101148362 WPMVQSXSXTURIH-LDADJPATSA-N 434.905 2.329 10 40 IECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)N2CCCC2)cc1 10188279 PAGIVXWWCYQCMB-FQEVSTJZSA-N 438.528 2.051 10 40 IECB Cc1cccc(N(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1C 216936772 PSFOZUFMKPHKGE-UHFFFAOYSA-N 444.601 2.138 10 40 IECB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 224808152 HBCTXAMJHAMLRA-UHFFFAOYSA-N 449.598 2.182 10 40 IECB CCOC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230381 QHIVQEPFEBLHHD-UPUUWEMXSA-N 435.524 2.173 10 40 IECB CN(C(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)[C@H]1CCS(=O)(=O)C1 13572975 WDALGQFFNUILMG-IAOKNECISA-N 444.987 2.187 10 40 IECB C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13670897 GOUYTASUKFDDBW-INIZCTEOSA-N 435.521 2.133 10 40 IECB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1cc2nc(O)[nH]c2cc1[N+](=O)[O-] 408530767 JODQPJYRVLPFTH-BQYQJAHWSA-N 442.775 2.409 10 40 IECB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)SC2=S)cc1 409212455 QGDURRJMZNLUPC-YBEGLDIGSA-N 443.506 2.106 10 40 IECB CCOc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCC(=O)O 15931132 ARKJDBSSXXKJDT-SFQUDFHCSA-N 438.436 2.253 10 40 IECB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 103561825 QXLDGZAVTPKABL-FHWLQOOXSA-N 445.431 2.305 10 40 IECB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)cc1 9422627 XIIICCLSJHJTNS-IBGZPJMESA-N 443.569 2.445 10 40 IECB COc1cc([N+](=O)[O-])ccc1NN/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408529311 JCSANYANYYBGHO-XNTDXEJSSA-N 425.401 2.304 10 40 IECB COc1ccc(N2CCN(C(=O)C3=C(c4ccccc4)S(=O)(=O)CCO3)CC2)cc1 32104684 UXMUKNVBUOJYEU-UHFFFAOYSA-N 428.510 2.158 10 40 IECB C[C@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 36594045 QZQTWQGURVLFCJ-HVBAWBJTSA-N 442.971 2.357 10 40 IECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCOCC2)cc1 22998855 KNNIAWMYLRNRRT-FQEVSTJZSA-N 432.471 2.159 10 40 IECB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 654471 KUNBQYRGLAKRLX-SCWSXOCZSA-N 442.512 2.442 10 40 IECB CCOc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 12069504 ZMVCNMYTTXJMEL-UHFFFAOYSA-N 440.544 2.361 10 40 IECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC[C@H]2CCCO2)N2CCc3ccccc32)cc1 10188419 XJISUBFOYGVWIT-GGAORHGYSA-N 436.556 2.268 10 40 IECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1C 17011295 LSDMPXZKEXZMIN-NRFANRHFSA-N 433.574 2.421 10 40 IECB Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(=O)n2c1 16733742 BMNAYDWQTJYEDZ-ZROIWOOFSA-N 444.538 2.279 10 40 IECB C[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C(=O)NCc1ccco1 72311892 FDHLXNWIPFUAMH-LBPRGKRZSA-N 449.510 2.282 10 40 IECB CCN1/C(=c2/s/c(=C3\SC(=S)N(C)C3=O)n(CC)c2=O)Sc2ccccc21 100505340 LAXWAKWIXMXNRN-BHZQTOLTSA-N 435.621 2.226 10 40 IECB CCOC(=O)COc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 107771174 UYGYBBWLOABUAD-DHDCSXOGSA-N 441.396 2.007 10 40 IECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(OC)c(OC)c3)nnc2n1 10165930 XFNMZMPGWRVNQI-UHFFFAOYSA-N 432.510 2.131 10 40 IECB CN1C(=O)C(=Cc2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 59488800 QFVWGYYVOGFNLF-UHFFFAOYSA-N 449.467 2.355 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1C 22809705 NGNVUXQGYLMNLG-QHCPKHFHSA-N 437.588 2.413 10 40 IECB C[C@@H]1O[C@@H](O[C@@H]2CCCc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@H]1O 5215378 JVCZXJYDGGNFSK-KXBZBNQCSA-N 439.464 2.090 10 40 IECB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 9135474 MMLSXTYUJXWXSN-QFIPXVFZSA-N 437.544 2.385 10 40 IECB CCN(C(=O)CN1C(=O)/C(=C\c2ccccc2F)SC1=S)[C@H]1CCS(=O)(=O)C1 33589094 YXNDWSOISUPLKA-NCPSJORJSA-N 442.559 2.063 10 40 IECB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 13575106 BLVBLAAPSUBWKO-GFAPJHNFSA-N 442.971 2.358 10 40 IECB O=C(Cn1c(-c2ccccn2)noc1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 58193655 SXSORORMZZREAY-UHFFFAOYSA-N 426.388 2.312 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1F 22734067 VLSOTCSJZUVLHR-QFIPXVFZSA-N 440.519 2.255 10 40 IECB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 408912251 QCTCKNOEZFLIPN-BOPFTXTBSA-N 440.387 2.237 10 40 IECB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CC)C2=O)CC1 1246983 YFPKYYLWFFKOFW-SSZFMOIBSA-N 443.598 2.366 10 40 IECB Cc1nn(-c2ccccc2)c(O)c1/C=C1\C(=O)NC(=S)N(c2cccc(C(=O)O)c2)C1=O 9933354 CDFPGMNUHUVMRY-GZTJUZNOSA-N 448.460 2.416 10 40 IECB CCOc1cccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 22395396 WYEMKJQEWLJWGC-UHFFFAOYSA-N 447.557 2.004 10 40 IECB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 408534463 QXIBUVGMXIWBBU-WAFWZSCLSA-N 438.440 2.310 10 40 IECB COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)c1 8963841 WCWKOVZVDHFEGT-HXUWFJFHSA-N 426.517 2.054 10 40 IECB C[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C(=O)NCc1ccco1 72311893 FDHLXNWIPFUAMH-GFCCVEGCSA-N 449.510 2.282 10 40 IECB CCN(CC)c1ccc([C@H]2NC(=O)N([C@H]3CCS(=O)(=O)C3)C(C)=C2C(=O)OC)cc1 32665995 QIDYJQSQKNXSLJ-PKOBYXMFSA-N 435.546 2.233 10 40 IECB COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 408586999 ATTGTJQMGUDQNH-QGZVFWFLSA-N 447.557 2.028 10 40 IECB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCN(S(N)(=O)=O)CC3)c2C)cc1C 12545241 VVTHBGNWGDKSOR-UHFFFAOYSA-N 447.557 2.352 10 40 IECB COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2)CC1 19584873 KCWDMWWTJKXNGW-HSZRJFAPSA-N 435.576 2.293 10 40 IECB COc1cc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc(OC)c1OC 13618542 MJTFSBYILWSRQF-KSSSLANASA-N 429.541 2.101 10 40 IECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 408764322 MEMFGDUOEODAML-UHFFFAOYSA-N 446.506 2.076 10 40 IECB NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 1907793 LITGJFIPDZMWSP-GDNBJRDFSA-N 433.536 2.174 10 40 IECB C[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1F)S(C)(=O)=O 220324690 LYANQMPJMXVZEL-QGZVFWFLSA-N 448.564 2.048 10 40 IECB CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](/C=C/N=[N+]([O-])c1ccccc1)OC(C)=O 104077493 WADIVQPFIKQONQ-OBJONGJVSA-N 436.417 2.153 10 40 IECB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 9135472 NLSZXQZEDYBJNM-JOCHJYFZSA-N 437.544 2.385 10 40 IECB COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733572 MTDSVJYVDOOLFK-NRFANRHFSA-N 425.529 2.256 10 40 IECB O=S1(=O)N[C@@H](C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)Nc2ccccc21 72338920 BJJNMNJZSXJJCG-QHCPKHFHSA-N 442.585 2.465 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(Cl)c3)CC2)cc1 9570071 OQTIKWDHMSXTDO-UHFFFAOYSA-N 437.949 2.230 10 40 IECB COc1ccc(N2CCN(C(=O)COC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 39582680 DNNIZTRBVWAAPE-UHFFFAOYSA-N 444.484 2.227 10 40 IECB COc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)O)C(=O)NC2=S)cc1 409188720 FPABVSVQSHSODQ-PILJQMSFSA-N 426.450 2.378 10 40 IECB C[C@H]1O[C@@H](O[C@@H]2CCCc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@H]1O 5215377 JVCZXJYDGGNFSK-PGHPUMOWSA-N 439.464 2.090 10 40 IECB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCN1CCN(C(=S)NCC)CC1 96602834 HWYSJKWJBBJKSX-KNTRCKAVSA-N 446.596 2.314 10 40 IECB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)OC)C3=O)c2C)c1 408549151 PYLBVHHXFNCTPB-WOJGMQOQSA-N 425.441 2.337 10 40 IECB COc1ccc2cc(/C=C3/SC(=S)N(CCCN4CCOCC4)C3=O)c(=O)[nH]c2c1 13688698 NNXOTIULISFCND-LDADJPATSA-N 445.566 2.460 10 40 IECB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1 102642343 KXLXPRDYSGFQGG-PDGQHHTCSA-N 429.458 2.029 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)CC2)cc1 223592348 PEAZUNLHFSMDPD-UHFFFAOYSA-N 439.563 2.042 10 40 IECB COc1cc(N2CCOCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951258 KTXSXDNCHUZRNQ-UHFFFAOYSA-N 428.562 2.409 10 40 IECB CN1CCN(c2ccc(CNC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)CC1 217035694 WBNSADARIDXLPZ-UHFFFAOYSA-N 444.601 2.301 10 40 IECB O=C(COc1ccccc1/C=C1/SC(=S)N(C[C@H]2CCCO2)C1=O)N1CCOCC1 9232229 AITRSRDCFVPYKJ-YAJBTMAUSA-N 448.566 2.304 10 40 IECB COCCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2334704 PYYCAYUNRQRUQR-OWBHPGMISA-N 448.595 2.095 10 40 IECB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@@H](c2ccccc2O)C1 9060560 BTBAKNAPNFSDIG-QGZVFWFLSA-N 431.470 2.306 10 40 IECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CC(N)=O)c4ccccc34)C2=O)cc1 107952399 MIMMSWCMXJEEHJ-WOJGMQOQSA-N 432.436 2.192 10 40 IECB O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@H]1CCS(=O)(=O)C1 9477266 FVWUTYPBKLCROA-QTNMRXCUSA-N 442.559 2.110 10 40 IECB COc1ccc(N2CCN(C(=O)COC(=O)CSc3nc(C)cc(C)n3)CC2)cc1 9672394 GFJNLMVYYUFEKU-UHFFFAOYSA-N 430.530 2.086 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccccc3F)CC2)cc1 11796490 XJFQXHHFHAYPOS-UHFFFAOYSA-N 435.521 2.106 10 40 IECB COc1ccc(-n2nnnc2CN2CCN(C(=O)CSCc3ccccc3)CC2)cc1 23134886 HHSGKUKNEVQJHE-UHFFFAOYSA-N 438.557 2.249 10 40 IECB NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(F)c4)C3=O)o2)cc1 32099650 AUPWAITXUHQWTP-BOPFTXTBSA-N 427.413 2.195 10 40 IECB COc1ccc(N2CCN(c3nnc(SCC(=O)NC[C@@H]4CCCO4)s3)CC2)cc1 23139986 VREGYAOSFODSKQ-KRWDZBQOSA-N 449.602 2.261 10 40 IECB CCCOc1c(I)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC 96193604 COEPVPLKZZJJJB-UHFFFAOYSA-N 446.266 2.003 10 40 IECB COc1ccc(N2CCN(Cc3coc(O)c(CN4CCSCC4)c3=O)CC2)cc1 101410551 FHSCLNVZKUMQJQ-UHFFFAOYSA-N 431.558 2.225 10 40 IECB Cc1nn(C)c(C)c1/C=C1\SC(N2CCN(S(=O)(=O)c3ccccc3)CC2)=NC1=O 95101250 IRSOFKBPGHIGJS-AQTBWJFISA-N 445.570 2.014 10 40 IECB CCN(C(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@H]1CCS(=O)(=O)C1 4057847 RQXMHEQTULNDIS-SFHVURJKSA-N 436.505 2.426 10 40 IECB CCOC(=O)C(=[N+]=[N-])C(=O)Nc1cnn(-c2ccccc2)c(=O)c1NCc1ccccc1 16682103 VYEKFKNUTZMPIT-UHFFFAOYSA-N 432.440 2.017 10 40 IECB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9491971 FMLIYKQHKJUHQU-HKWRFOASSA-N 426.498 2.426 10 40 IECB COc1ccc(-c2cc3ccc(O)c(CN4CCN(CCO)CC4)c3oc2=O)c(OC)c1 20611854 VYSUXMGSSHJLTK-UHFFFAOYSA-N 440.496 2.293 10 40 IECB biogenic COc1ccc(N2CCN(CC3(O)CCN(c4cccc(C)c4)CC3)[C@@H](C(N)=O)C2)cc1 257328017 XDTZFBVOLJCIKJ-HSZRJFAPSA-N 438.572 2.011 10 40 IECB COc1ccc(CN2C(=O)NC(=O)/C(=C/c3c(OC)cc(OC)cc3OC)C2=O)cc1 9335068 SLWZMPLZQLMMAS-BOPFTXTBSA-N 426.425 2.383 10 40 IECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCOCC3)ccc21 13008707 LJYNSQUKOIRNDH-JOCHJYFZSA-N 440.519 2.336 10 40 IECB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)c2c1 29168179 YPOAWNMIDUFORL-IRXDYDNUSA-N 449.573 2.026 10 40 IECB COCCCN1C(=O)/C(=C/c2c(NCCOC)nc3ccc(C)cn3c2=O)SC1=S 2326011 HTDUDFHDMAWLJZ-PTNGSMBKSA-N 448.570 2.299 10 40 IECB O=C(O)[C@@H]1N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]21 9486890 UXPNNSRPGORKSY-YHUYYLMFSA-N 431.242 2.058 10 40 IECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCOCC3)ccc21 21887064 QSDXBTVAIKZFAX-HSZRJFAPSA-N 442.604 2.398 10 40 IECB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1C 23857596 ATFOXJQLFZUIGQ-HSZRJFAPSA-N 436.556 2.424 10 40 IECB COC(=O)Cn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2cc(Br)ccc21 59087248 CZPSEJAOVJLRMH-UHFFFAOYSA-N 434.246 2.011 10 40 IECB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2ccccc2F)SC1=S 36597398 VIMCYODAGUHURN-JXIANXGOSA-N 442.559 2.061 10 40 IECB CC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(N(C)C)cc3)c(=O)n12 8747279 GOVXDZKTTZWQHH-KIXPQVLYSA-N 433.533 2.341 10 40 IECB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 23080642 SBZPHWZDJUAEIK-NRFANRHFSA-N 434.581 2.467 10 40 IECB NC(=O)c1ccc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 12563788 LGCNKGGTUDIQRP-UHFFFAOYSA-N 428.400 2.356 10 40 IECB COc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 100791965 HIBAKJOXTUZBMX-SSZFMOIBSA-N 447.451 2.072 10 40 IECB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1 408897891 JLQDBKRXVRZRLP-AQTBWJFISA-N 436.424 2.406 10 40 IECB O=C(O)CN1C(=O)/C(=C\c2cc(Br)c(N3CCOCC3)o2)SC1=S 408947473 QBZIGCODURDGSX-UXBLZVDNSA-N 433.305 2.165 10 40 IECB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)O 409048631 TWZGAFQTBPVRDD-VGOFMYFVSA-N 430.800 2.478 10 40 IECB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)c(OC)c1 8963899 CZOODTWFDGIWDQ-HXUWFJFHSA-N 426.517 2.054 10 40 IECB CC(=O)N1C(=O)/C(=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c2ccccc21 8821629 MOGXGZPYNAENPP-ZCXUNETKSA-N 437.502 2.425 10 40 IECB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)CC3)c2c1 29168174 YPOAWNMIDUFORL-CALCHBBNSA-N 449.573 2.026 10 40 IECB CN(C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 33544777 ULQIELKIJKZUTA-GWQWUEFDSA-N 442.559 2.063 10 40 IECB COc1ccc2cc(/C=C3\SC(=S)N(CCCN4CCOCC4)C3=O)c(=O)[nH]c2c1 102738932 NNXOTIULISFCND-PDGQHHTCSA-N 445.566 2.460 10 40 IECB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)c(OC(C)=O)c([N+](=O)[O-])c2)S1 408917048 LNEXVWILERVNAQ-WZUFQYTHSA-N 428.220 2.389 10 40 IECB COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 409014545 QBKKTSQCBOQWDM-WOJGMQOQSA-N 437.452 2.145 10 40 IECB O=C1/C(=C/c2c(SCCO)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 16713520 JOCCJEDQVNJFEO-GVIGZQTCSA-N 449.579 2.159 10 40 IECB CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22809810 GBJQNTRAQSCIAJ-HSZRJFAPSA-N 437.588 2.358 10 40 IECB COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 28208404 JUDRSGLFSNNHRV-UHFFFAOYSA-N 431.558 2.227 10 40 IECB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408903038 OFMNQTAQLNULKT-LFIBNONCSA-N 440.387 2.237 10 40 IECB CC(/C=C1\SC(=S)N([C@@H]2CC(=O)N(CCC(=O)O)C2=O)C1=O)=C\c1ccccc1 100912631 HCBTZFLBIILROM-NQUQJBFHSA-N 430.507 2.436 10 40 IECB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2S1 41077712 NWVOECMREFIBFJ-PEMMUPCOSA-N 445.438 2.476 10 40 IECB COc1ccc(N2CCN(CC(=O)NCc3ccc4[nH]c(C)c(C)c4c3)[C@H](C(N)=O)C2)cc1 257249107 JGVRNLSLHREVMV-QHCPKHFHSA-N 449.555 2.086 10 40 IECB COC(=O)CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1565524304 FORDTGSVKNHKIR-XMMPIXPASA-N 446.507 2.468 10 40 IECB CN(CCO)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 1253364 BPIRYXHUXSIYAF-PTNGSMBKSA-N 442.522 2.117 10 40 IECB COc1ccc(N2CCN(C3=NC(=O)C[C@H](C(=O)Nc4ccc(Cl)cc4)N3)CC2)cc1 8758202 ZAGMWYCBMPXAMP-LJQANCHMSA-N 441.919 2.354 10 40 IECB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 108197862 ZQCAEAKNBWGWKE-YBFXNURJSA-N 432.436 2.448 10 40 IECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 2265139 LSCAKHQFRHAKJG-ITICKHJUSA-N 446.463 2.317 10 40 IECB COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c2ccccc21 9311797 KIMJYSXULFQDAT-WQRHYEAKSA-N 433.420 2.489 10 40 IECB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 409233082 JTZBGBWWMCUSSH-XMHGGMMESA-N 436.468 2.063 10 40 IECB COc1cc(N2CN=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3C2)cc(OC)c1OC 2328739 YBIXQEFQBJCIRH-LSCVHKIXSA-N 445.928 2.473 10 40 IECB COc1cccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1OCC(=O)Nc1ccccc1 9260228 DMNFBWICOQVWSV-UHFFFAOYSA-N 439.493 2.311 10 40 IECB O=C(CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33537325 ZJVANMDHZJMKDZ-OZYJXZHSSA-N 442.971 2.358 10 40 IECB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)OC(C)C 408600613 DXKKOUHRKUTGGK-VGOFMYFVSA-N 425.484 2.311 10 40 IECB C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 9054119 KBXYGTSJFRYESQ-VHSBBYLZSA-N 444.987 2.233 10 40 IECB COc1ccc(N2CCN(C(=O)c3cc(N(C)S(C)(=O)=O)ccc3OC)CC2)cc1 13582954 ZNPQXNSJRSLAEB-UHFFFAOYSA-N 433.530 2.062 10 40 IECB CN(C(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 33582687 SINMJAHHRCAWRT-WMJYUBJYSA-N 438.596 2.314 10 40 IECB COCCn1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2)CC1 19584871 KCWDMWWTJKXNGW-QHCPKHFHSA-N 435.576 2.293 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c(C)c1 22734535 UTCQSURPUDBCSH-XMMPIXPASA-N 449.599 2.339 10 40 IECB COc1ccc(N2CCN(C(=O)[C@@H](C)N(c3ccccc3F)S(C)(=O)=O)CC2)cc1 220301532 BQWHHKKLBNHKQX-MRXNPFEDSA-N 435.521 2.338 10 40 IECB COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 408588536 DBIOVHMWGDAHFR-QGZVFWFLSA-N 447.557 2.028 10 40 IECB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734255 BCEADCDCIJHXAZ-XMMPIXPASA-N 449.599 2.339 10 40 IECB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 9311937 QXLDGZAVTPKABL-QYZOEREBSA-N 445.431 2.305 10 40 IECB COc1cc(OC)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22589061 AITAFHYTBUSLGL-HSZRJFAPSA-N 426.561 2.488 10 40 IECB COc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22733840 GARMNXHRUUCBJL-DEOSSOPVSA-N 438.572 2.171 10 40 IECB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 41077720 QADPLAFNZCWDRO-PEMMUPCOSA-N 445.438 2.476 10 40 IECB COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(C)nc4ccccc34)CC2)cc1 56997807 QPFCVYBHMVDTMN-UHFFFAOYSA-N 447.539 2.429 10 40 IECB COc1ccc(-c2noc(CNC(=O)Cc3c(C)c4ccc(O)c(O)c4oc3=O)n2)cc1 13655766 AIQYHLNECIJBNE-UHFFFAOYSA-N 437.408 2.430 10 40 IECB CC(C)C[C@]1(C(=O)O)N[C@H](c2ccc(O)cc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 15240100 OEIHHDMEOYINQS-SMOZNVCYSA-N 438.480 2.413 10 40 IECB O=C(O)[C@@H]1N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 35876689 UXPNNSRPGORKSY-FXUDXRNXSA-N 431.242 2.058 10 40 IECB CCN(C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 8970830 OKGPVVZOVLOWNP-GVIGZQTCSA-N 444.625 2.375 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 16974155 JWHDXWKVCXSULB-QGOAFFKASA-N 447.451 2.072 10 40 IECB CCc1ccc(N(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 216937635 KTRRGMFFDGFNJH-UHFFFAOYSA-N 444.601 2.083 10 40 IECB COc1ccc(OC)c(-c2cc3ccc(O)c(CN4CCN(CCO)CC4)c3oc2=O)c1 20612112 CQAXZXWFMRFYFY-UHFFFAOYSA-N 440.496 2.293 10 40 IECB biogenic C[C@@H](C(=O)NCCc1cnc[nH]1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 33582683 HNBNKCCGYPDGQT-JRUYLCMPSA-N 430.511 2.087 10 40 IECB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CCc1nc2ccccc2c(=O)n1C 36874429 WNZBIJZSMIVPFT-UHFFFAOYSA-N 436.512 2.134 10 40 IECB Cc1cccc(N([C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 220142700 IBYMIHGGWXTKDA-GOSISDBHSA-N 431.558 2.303 10 40 IECB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O 409189446 GPTPMEMSZFQSKY-RIYZIHGNSA-N 442.449 2.242 10 40 IECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 409250411 LFOUKCWMORFPHO-UHFFFAOYSA-N 439.493 2.244 10 40 IECB CCCCc1ccc2c(c1)/C(=C1/SC(=S)N(CCS(=O)(=O)O)C1=O)C(=O)N2 8870212 LOXBSMHHXQZHRF-YPKPFQOOSA-N 426.541 2.441 10 40 IECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1C(=O)O 10038290 HKXITDZVABVVKH-OQLLNIDSSA-N 425.353 2.358 10 40 IECB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OC(C)=O)C2=O)o1 35147997 JSKNJXVAJBSBLC-SXGWCWSVSA-N 427.413 2.150 10 40 IECB O=C(O)[C@@H]1N[C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 106550011 PYSMFJVJBSZTJA-CAOSSQGBSA-N 431.242 2.058 10 40 IECB CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(C)(=O)=O 20205496 QKFWJTNPQYCMCA-XQVAPKGHSA-N 440.528 2.363 10 40 IECB O=c1c(-c2ccc3c(c2)OCCO3)coc2c(CN3CCN(CCO)CC3)c(O)ccc12 20437791 NWYIWZZMLOQAAD-UHFFFAOYSA-N 438.480 2.047 10 40 IECB biogenic Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22734232 KCJFKFIFOXFCQV-HSZRJFAPSA-N 435.572 2.031 10 40 IECB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)CC1 409103748 FLTJSLRWUIAHBZ-RVDMUPIBSA-N 436.515 2.023 10 40 IECB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/NCc1ccc2c(c1)OCO2 20290782 FNGYWPDDCXRDTK-NTEUORMPSA-N 444.241 2.434 10 40 IECB COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3=O)CC2)cc1 2662421 YIPSGRUNNLXBMW-LJQANCHMSA-N 425.485 2.167 10 40 IECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59498616 WQTVTCKERYYAFP-UHFFFAOYSA-N 442.340 2.443 10 40 IECB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1(C(=O)c3ccccc3C1=O)N1CCC[C@H]21 248099026 IYWKNORQGIPWJY-BHIYHBOVSA-N 445.431 2.305 10 40 IECB CC[C@H](C)N1C(=O)/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 2304368 YGKIEHRGXAWUEV-FRRXJZEGSA-N 448.570 2.115 10 40 IECB CCN(C(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 9429799 CECFNWDEESZLIB-JORMNFRLSA-N 438.596 2.314 10 40 IECB Cc1cccc(N([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 220142633 IBYMIHGGWXTKDA-SFHVURJKSA-N 431.558 2.303 10 40 IECB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 13574849 CGPUIQAUKIUJQH-GURCMLPQSA-N 442.559 2.061 10 40 IECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCOCC3)ccc21 22734931 ZLGRTRVFVQTHIW-JOCHJYFZSA-N 440.519 2.336 10 40 IECB CN(C)c1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 32738606 NWRNOLBHNLPAPP-KRWDZBQOSA-N 430.530 2.292 10 40 IECB CCOC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 33551726 UJZMKCMOQKZVEC-WIOAZZGGSA-N 425.397 2.387 10 40 IECB COCCN1C(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C(=O)NC1=S 98086704 FUEINQGRDVPWEW-LICLKQGHSA-N 428.470 2.275 10 40 IECB CNc1nc([C@@H]2CCN(C(=O)CCN(C)c3ccc(OC)cc3)C2)nc2c1CN(C)CC2 257261945 LJJXLNFKZNBRNC-QGZVFWFLSA-N 438.576 2.357 10 40 IECB CCN(CC)c1ccc([C@@H]2NC(=O)N([C@@H]3CCS(=O)(=O)C3)C(C)=C2C(=O)OC)cc1 32665992 QIDYJQSQKNXSLJ-MJGOQNOKSA-N 435.546 2.233 10 40 IECB CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33467164 ZISHUBRTTNAQCQ-KAECEXQPSA-N 425.397 2.387 10 40 IECB O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(CN(Cc3ccc(O)c(O)c3)C2)C1 604381961 WSOPEARLSILWLD-LJQANCHMSA-N 443.931 2.162 10 40 IECB biogenic,in-vitro CN(C)c1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 32738607 NWRNOLBHNLPAPP-QGZVFWFLSA-N 430.530 2.292 10 40 IECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1Cl 409259070 ZKQIJFNDDLUHBD-UHFFFAOYSA-N 445.884 2.280 10 40 IECB CCOC(=O)[C@@H](C(C)=O)c1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O 11615785 LGPQJVQFKBXFEV-IBGZPJMESA-N 434.470 2.387 10 40 IECB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)c2c1 29168183 YPOAWNMIDUFORL-IAGOWNOFSA-N 449.573 2.026 10 40 IECB O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33527151 BFFUHYPCNYJIBS-GJSJWPQCSA-N 428.582 2.156 10 40 IECB O=C(CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 13655512 XXTLPGLYXNXQOE-NWFCWYBLSA-N 440.543 2.234 10 40 IECB CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCOCC3)ccc21 22734091 AKNTXSBUOCHZOA-QFIPXVFZSA-N 428.577 2.007 10 40 IECB CCc1ccc(N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)S(C)(=O)=O)cc1 218307214 QPCNWYBGOIDWTF-UHFFFAOYSA-N 431.558 2.372 10 40 IECB Nc1ccc(-n2c(=O)c3ccc4c(=O)n(-c5ccc(N)cc5)c(=O)c5ccc(c2=O)c3c45)cc1 1875251666 FNEQDBLEMUBBFJ-UHFFFAOYSA-N 448.438 2.208 10 40 IECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)N2CCCC2)cc1 10188278 PAGIVXWWCYQCMB-HXUWFJFHSA-N 438.528 2.051 10 40 IECB Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22809663 IMPOJOMDOJZGHE-QFIPXVFZSA-N 437.588 2.413 10 40 IECB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccc(F)c4)n3N)CC2)cc1 23475537 RVFDBLTYQXLMTP-UHFFFAOYSA-N 442.520 2.248 10 40 IECB C[C@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 33538014 LWRYXBSUBVADPG-IAEOUHADSA-N 442.971 2.357 10 40 IECB CN(C(=O)CCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)[C@@H]1CCS(=O)(=O)C1 33543180 ZVYKZOHDKLSVGF-MFYHJKBNSA-N 442.559 2.063 10 40 IECB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OC(C)=O 96193712 VGLDNHJWWWRMFL-UHFFFAOYSA-N 425.235 2.207 10 40 IECB COc1ccc(N2CCN(C(=O)COC(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)CC2)cc1 101800864 UDOGQZYAKZNMIT-RDNZODCXSA-N 428.529 2.218 10 40 IECB COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)cn2)cc1 13807148 MEFGQMQJPWIMDT-UHFFFAOYSA-N 434.496 2.276 10 40 IECB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCN(C)CC4)cc3)ccc21 225698872 QRVLEYSJEKGZNX-UHFFFAOYSA-N 446.598 2.313 10 40 IECB C[C@@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 9187695 ULZLEXGOAVWUNV-NWRYFCBHSA-N 444.538 2.408 10 40 IECB CCN(C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 33581927 OKGPVVZOVLOWNP-LQELWAHVSA-N 444.625 2.375 10 40 IECB C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCOCC4)cc2)CC3)C[C@@H](C)O1 72347258 RLXWCABERUBTKK-QZTJIDSGSA-N 439.560 2.191 10 40 IECB COc1cccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 100773059 NIMSXQAZHIZCMW-AQTBWJFISA-N 447.451 2.072 10 40 IECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 108927900 UBOYXHILDGAVNM-UYRXBGFRSA-N 430.501 2.299 10 40 IECB CN1CCN([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccc(N(C)C)cc2)CC1 22809523 RMJADDRMHIIEFV-HSZRJFAPSA-N 441.620 2.164 10 40 IECB COc1ccc(OC)c(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2OC)c1 408988597 IMJHRRXVYAESOE-UHFFFAOYSA-N 428.466 2.206 10 40 IECB COc1cccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22589420 XOJVLDYBTKUQGT-QHCPKHFHSA-N 426.561 2.245 10 40 IECB O=C(O)CCCN1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S 51330783 VDNPJFMAMKZCAS-NVNXTCNLSA-N 432.479 2.365 10 40 IECB CN1C(=O)C(=Cc2cn(CC(=O)NCc3ccco3)c3ccccc23)C(=O)N(C)C1=S 6287809 WILJBKVRKMIPJS-UHFFFAOYSA-N 436.493 2.149 10 40 IECB C[C@@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 36589790 LWRYXBSUBVADPG-AEZZDWBPSA-N 442.971 2.357 10 40 IECB CN1C(=O)C(=CNc2cc(C(=O)N3CCCC3)ccc2N2CCCC2)C(=O)N(C)C1=S 627717 ONRSYBXCDTYVMM-UHFFFAOYSA-N 441.557 2.034 10 40 IECB O=C(O)[C@@H]1N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]21 9486889 UXPNNSRPGORKSY-CAOSSQGBSA-N 431.242 2.058 10 40 IECB COc1ccc(N2CCN(C(=O)CSc3nnnn3-c3ccc(OC)cc3)CC2)cc1 928698 OWSXYYPFJQIOCN-UHFFFAOYSA-N 440.529 2.120 10 40 IECB COCCn1nnnc1[C@H](c1ccccc1OC)N1CCN(c2ccc(OC)cc2)CC1 13504276 FCVVGZNQZRHUCK-QFIPXVFZSA-N 438.532 2.248 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc4ccccc4o3)CC2)cc1 9570107 HXANIZWIVTVKIH-UHFFFAOYSA-N 443.525 2.323 10 40 IECB COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCc5ccccc54)C3=O)CC2)cc1 3555642 GOQUUGYGRAWTES-RUZDIDTESA-N 448.523 2.127 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)CC2)cc1 9708746 KCWBUWWTRMRPJP-UHFFFAOYSA-N 441.553 2.432 10 40 IECB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)OC)C3=O)c2C)cc1 408549798 ZEXRPDOQPYIKBP-WOJGMQOQSA-N 425.441 2.337 10 40 IECB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/N1CCN(C(=O)c2ccco2)CC1 8452785 SPOFXIYIXFIGFA-NTCAYCPXSA-N 444.900 2.023 10 40 IECB C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O 113966478 KSLZLNYZFNWTGQ-INIZCTEOSA-N 435.521 2.133 10 40 IECB COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCC[C@H]3C(=O)O)C2=O)cc1 8765612 YXTKCVVGZNQLPQ-XFNCEPBJSA-N 448.522 2.140 10 40 IECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(NCC(C)C)nc12 2253016 BXUZQSVXYQYYKK-QPEQYQDCSA-N 432.527 2.357 10 40 IECB CCOC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 20150343 QHIVQEPFEBLHHD-AIFLQVKLSA-N 435.524 2.173 10 40 IECB COc1ccc(N2CCN(C(=O)CN(Cc3ccc(C)cc3)S(C)(=O)=O)CC2)cc1 224303003 CUIHIWRSPLYEMZ-UHFFFAOYSA-N 431.558 2.114 10 40 IECB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCOCC3)ccc21 22734944 JHUJKLQDYOYEFX-QFIPXVFZSA-N 440.519 2.336 10 40 IECB CN1CCN([C@@H](CNS(=O)(=O)c2ccccc2F)c2ccc3c(c2)CCN3C)CC1 22735794 LYJKJNRVWBJNGL-NRFANRHFSA-N 432.565 2.085 10 40 IECB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](/C=C/N=[N+]([O-])c1ccccc1)OC(C)=O 104077482 WADIVQPFIKQONQ-OLNUKGADSA-N 436.417 2.153 10 40 IECB COc1ccc(N2CCN(C(=O)CSc3n[nH]c(=O)n3Cc3ccccc3)CC2)cc1 9127030 UCCIPPSPQLGZFJ-UHFFFAOYSA-N 439.541 2.069 10 40 IECB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c(OC)c1 22733494 PUEZUSXEANJBAF-JOCHJYFZSA-N 425.529 2.499 10 40 IECB COC(=O)COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1Br 409331562 NSOVIJYWDHWOOX-WZUFQYTHSA-N 446.300 2.287 10 40 IECB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N[C@H]1CCS(=O)(=O)C1 9215812 CBTFVYKADSXHAX-HKTDBJNNSA-N 436.580 2.137 10 40 IECB CCN(CCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(OC)cc1 225091586 VYTRXDJKEJRERP-UHFFFAOYSA-N 431.514 2.153 10 40 IECB CC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)O 8870122 NQGSZCVCNOTDQV-XBUHWIKASA-N 438.527 2.275 10 40 IECB CC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)O 8870123 NQGSZCVCNOTDQV-JXCQQFQQSA-N 438.527 2.275 10 40 IECB COc1cccc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)c1 17096900 NZNRJSXCQPTQAC-UHFFFAOYSA-N 430.486 2.449 10 40 IECB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(C)CC3)C2=O)cc1 20227386 IPKHSELUQKYGDD-VKAVYKQESA-N 447.582 2.229 10 40 IECB COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc(OC)c(OC)c3OC)C2=O)cc1 4456449 GTCHKNLDSWPQIC-WJDWOHSUSA-N 426.425 2.383 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 19998190 PVRGPWWVYBHVDV-QNGOZBTKSA-N 434.496 2.416 10 40 IECB COc1cc(/C=C2\C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)cc(OC)c1OC 100319695 OKIBNQFOCLMGDV-ZROIWOOFSA-N 435.436 2.187 10 40 IECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc([N+](=O)[O-])c1O 408955546 UQNWAPNUJIIBEQ-LFYBBSHMSA-N 441.352 2.094 10 40 IECB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O)Nc1ccccc1F 96504873 OFSPQWCIDUPZPC-PDGQHHTCSA-N 442.422 2.333 10 40 IECB COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3ccco3)CC2)cc1 11666015 TVNMSNAKXAYQCQ-UHFFFAOYSA-N 447.499 2.185 10 40 IECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)cc1 408743308 ZUMTUHAELYSPSY-RIYZIHGNSA-N 427.369 2.287 10 40 IECB COc1ccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1OC 22733514 APHYVCHRETZVKN-QFIPXVFZSA-N 439.556 2.428 10 40 IECB CCOc1ccc(-n2cccc2/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 20211409 ASJRXBZYKAYZMU-GQECEEOXSA-N 443.510 2.497 10 40 IECB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 8843430 MKGKZMADTNFADF-YWFITGJYSA-N 437.521 2.457 10 40 IECB CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](/C=C\N=[N+]([O-])c1ccccc1)OC(C)=O 104077488 WADIVQPFIKQONQ-QQRANWCYSA-N 436.417 2.153 10 40 IECB COc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)=O)c(OC)c3)C(=O)NC2=S)cc1 408752473 AVZSILKRBRNXGR-YBEGLDIGSA-N 426.450 2.460 10 40 IECB O=C(COC(=O)CNC(=O)c1cccs1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9590963 PZDIMTICNGDCEK-UHFFFAOYSA-N 448.456 2.435 10 40 IECB C[C@]1(C(=O)O)N[C@@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19848380 OUEZGDPEORRHDL-QOIOWGMHSA-N 445.269 2.448 10 40 IECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1F 22734064 VLSOTCSJZUVLHR-JOCHJYFZSA-N 440.519 2.255 10 40 IECB C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(S(N)(=O)=O)cc1 32863009 ALPOECPLAOUHKZ-INIZCTEOSA-N 432.546 2.073 10 40 IECB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 223866497 XHHNUWUNTLVIJG-UHFFFAOYSA-N 437.949 2.357 10 40 IECB CN1CCc2cc([C@@H](CNS(=O)(=O)c3cc(F)ccc3F)N3CCOCC3)ccc21 22735628 NKOSNFAPIBTBRD-HXUWFJFHSA-N 437.512 2.309 10 40 IECB COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)NCC(C)C)co3)CC2)cc1 36367147 HQDJTOVHCAGBHL-UHFFFAOYSA-N 429.517 2.122 10 40 IECB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 408902028 DTRQKMXVEBLNHQ-ATVHPVEESA-N 440.387 2.237 10 40 IECB Nc1nnc(CNC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)s1 28296996 DAPDGCXGFUUXJO-BJMVGYQFSA-N 425.948 2.291 10 40 IECB CN(C)CCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044575 FMNUCVJKWSGHRN-DEOSSOPVSA-N 431.540 2.466 10 40 IECB CN1CCc2c(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cccc2C1=O 1673136865 AFEOROURBFFUCB-KRWDZBQOSA-N 435.528 2.338 10 40 IECB CCN(C(=O)[C@@H](C)N1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 33589221 BOSHFUUYXQYLIF-YTWPQICVSA-N 444.625 2.373 10 40 IECB CCOc1ccc(-n2c(-c3ccc(O)c(O)c3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 12411996 SNUBUXIZMWUCHF-UHFFFAOYSA-N 447.451 2.153 10 40 IECB O=C(/C=c1/[nH]c(=O)/c(=C/c2ccc(N3CCOCC3)cc2)s1)c1ccc(Cl)cc1 102971117 PEMVVJQBQDEJES-NMGXZBPKSA-N 426.925 2.419 10 40 IECB COc1cccc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1OCC(=O)Nc1ccc(F)cc1 408915581 YECWESZKCJZRFO-XNTDXEJSSA-N 443.456 2.108 10 40 IECB CN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccc(N2CCCCC2)cc1 12596475 SRMNNFPJYBONPS-UHFFFAOYSA-N 427.549 2.395 10 40 IECB O=C(O)[C@H]1N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 13555713 LAGMNMHQNKPYJG-JONQDZQNSA-N 431.242 2.058 10 40 IECB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 8843429 MKGKZMADTNFADF-VOMPUTFMSA-N 437.521 2.457 10 40 IECB NC(=O)COc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 9188220 SPFAUDNBEFGBAU-UYRXBGFRSA-N 440.500 2.482 10 40 IECB C[C@H](OCc1ccc(N)cc1)C(=O)OCCOC(=O)[C@@H](C)c1c(N)cccc1C(=O)O 252011777 SOHHTTDWWLQHGP-KBPBESRZSA-N 430.457 2.344 10 40 IECB COc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)cc1 19556558 CNQDUSVWHSVURA-QHCPKHFHSA-N 445.585 2.263 10 40 IECB COc1ccc(Oc2coc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1 20440591 ZOAKESXAYMVMRU-UHFFFAOYSA-N 426.469 2.409 10 40 IECB CCOc1cccc(N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)S(C)(=O)=O)c1 22388484 HZZKIONWZOANHB-UHFFFAOYSA-N 447.557 2.209 10 40 IECB CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 225538812 NCBUPYAHGMUWQL-UHFFFAOYSA-N 431.558 2.484 10 40 IECB CCN(C(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 33527077 CECFNWDEESZLIB-XYGUXCPDSA-N 438.596 2.314 10 40 IECB COc1cccc(N2C(=O)/C(=C\[C@H]3C(=O)N(c4ccccc4)N=C3C)C(=O)NC2=S)c1 100311878 JOCWMKFICHTULF-ZCWPUFOUSA-N 434.477 2.408 10 40 IECB C[C@H](Oc1ccc(N)cc1)C(=O)OCCOCCOC(=O)[C@H](C)Oc1ccc(N)cc1 253385244 RWRYQPFXSDMKCI-HOTGVXAUSA-N 432.473 2.189 10 40 IECB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br)Nc1ccccc1 409040101 FOWNCKMDTJQAAK-UHFFFAOYSA-N 444.241 2.216 10 40 IECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 20291265 ITNHLBODJVTRMS-ITICKHJUSA-N 446.463 2.317 10 40 IECB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2)c2ccc3c(c2)CCCN3C)CC1 22735216 FZSCJZHLWNMEEU-HSZRJFAPSA-N 435.572 2.112 10 40 IECB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(N)=O 409224387 JTRYXALNPVUPMH-VGOFMYFVSA-N 443.843 2.188 10 40 IECB C[C@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 33583101 QZQTWQGURVLFCJ-DEUJPTSVSA-N 442.971 2.357 10 40 IECB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C 409267570 OAYDKCPFWCHHHE-UHFFFAOYSA-N 443.843 2.424 10 40 IECB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964084 GMWJBOIHPIOXIM-QHCPKHFHSA-N 436.556 2.257 10 40 IECB COCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 13427050 RBCUEKIECGYVRO-LKKYZFDUSA-N 446.554 2.133 10 40 IECB CN(C(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 13573056 MRPUZASDSRPGRD-IAOKNECISA-N 444.987 2.187 10 40 IECB CCN(CC)c1ccc(CN2CCc3c(nc(N4CCOCC4)[nH]c3=O)C2)c(OC)c1 12117787 YLWSDXYFWWDKBD-UHFFFAOYSA-N 427.549 2.020 10 40 IECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409256256 KMRHPHMCWNMMLL-UHFFFAOYSA-N 437.452 2.469 10 40 IECB C[C@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 13572541 LWRYXBSUBVADPG-RMGFKRFNSA-N 442.971 2.357 10 40 IECB Cc1cc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)ccc1F 22735755 XLPITBWELUNPDY-QFIPXVFZSA-N 433.549 2.478 10 40 IECB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)C(=O)NC2=S)cc1 107769248 LKXRVOBAKDOSCR-WOJGMQOQSA-N 448.504 2.357 10 40 IECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)O 408911697 CGIMDSRGRUXOOG-OVCLIPMQSA-N 428.372 2.354 10 40 IECB CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22734097 UWTSFYSWUKMSMT-QHCPKHFHSA-N 436.556 2.370 10 40 IECB O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H]1CCS(=O)(=O)C1 28296945 SSMKPQLSFORPGG-VSXLWIIGSA-N 430.598 2.033 10 40 IECB CN1C(=O)NC(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C1=O 408526929 CRSOPPUUWYVFFF-XNTDXEJSSA-N 434.861 2.145 10 40 IECB COc1ccc(N2CCN(C(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)CC2)cc1 916615 UMKDPQJYEQEMMJ-UHFFFAOYSA-N 431.558 2.427 10 40 IECB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 13573128 MGCXBLGANYGANY-FFOBGPNNSA-N 442.559 2.061 10 40 IECB O=C1CN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)CCN1 70019266 NREKPAZNSLXEKV-LJQANCHMSA-N 435.528 2.183 10 40 IECB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCOCC3)ccc21 23857626 UJEIYGHXCZIGDR-NRFANRHFSA-N 442.947 2.461 10 40 IECB COc1cc(N2CN=c3s/c(=C\c4cccc(Cl)c4)c(=O)n3C2)cc(OC)c1OC 2244509 PZZZXLLZFOPTME-LSCVHKIXSA-N 445.928 2.473 10 40 IECB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 38201016 BJILEFDYEODUJJ-CNSVBDKNSA-N 448.548 2.259 10 40 IECB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 13573126 MGCXBLGANYGANY-LPCGNRLVSA-N 442.559 2.061 10 40 IECB CCCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OC 14291965 AURIVTHZBIPBEE-UHFFFAOYSA-N 447.557 2.355 10 40 IECB CC[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O 217015758 CBDNUQJARQXXKF-QFIPXVFZSA-N 444.601 2.299 10 40 IECB COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)/C=C/c3ccccc3)CC2)cc1 9721705 SEHOWKPJNAOTSM-XCMFGDQWSA-N 429.542 2.323 10 40 IECB O=S1(=O)N[C@H](C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)Nc2ccccc21 72338921 BJJNMNJZSXJJCG-HSZRJFAPSA-N 442.585 2.465 10 40 IECB Cc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 16024890 HCNRHKZZSADFHD-LZISPXOZSA-N 449.507 2.168 10 40 IECB COc1cccc(N2C(=O)NC(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C2=O)c1 19996798 GJGMCIAMGIIZOL-QNGOZBTKSA-N 434.496 2.416 10 40 IECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409006082 HOEZEBFBKGRNAZ-UHFFFAOYSA-N 439.493 2.326 10 40 IECB O=C(COc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccccc1 409044030 ALYCSJBSVKTOLZ-UHFFFAOYSA-N 444.241 2.216 10 40 IECB C[C@@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 33583099 QZQTWQGURVLFCJ-ACULBNTFSA-N 442.971 2.357 10 40 IECB CCN(CC)c1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)c(O)c1 72347176 LWMCMKXYLRAPCU-IAGOWNOFSA-N 441.576 2.494 10 40 IECB C[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O 220492647 BGCKWOFHCHXERG-QGZVFWFLSA-N 448.564 2.048 10 40 IECB C[C@@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 9252873 LWRYXBSUBVADPG-ZCDVYKAHSA-N 442.971 2.357 10 40 IECB COc1ccc(N2CCN(C3=N[C@H](c4cccnc4)n4c(nc(C)cc4=O)N3)CC2)cc1 9265101 ZATHWRDPUXKWMD-NRFANRHFSA-N 431.500 2.106 10 40 IECB NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)o2)cc1 13739587 GTVFZNHKGILTIR-ZROIWOOFSA-N 438.508 2.270 10 40 IECB CCOC(=O)N1CCCN(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CC1 58203150 HXBAWSVDIOMFPO-UHFFFAOYSA-N 447.580 2.081 10 40 IECB NC(=O)COc1ccccc1/C=C1\SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O 618254969 LPEVXDNGIGTXLF-ZCQLHAAUSA-N 442.518 2.448 10 40 IECB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C(=O)N4CCOCC4)cc3)C2=O)cc1 95471536 ZGLICNLZEGUOBU-RGEXLXHISA-N 434.452 2.046 10 40 IECB CN(C)c1ccc(CN(C(=O)[C@H]2COc3ccccc3O2)[C@@H]2CCS(=O)(=O)C2)cc1 4313006 YCPQPVTUKBLFGX-WIYYLYMNSA-N 430.526 2.108 10 40 IECB CCOC(=O)C1=C(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)NC(=O)N[C@@H]1C 9466676 BZAXOZWGWABLGT-GFCCVEGCSA-N 448.431 2.137 10 40 IECB COc1ccc(N2CCN(C(=O)[C@H](C)N(c3cccc(OC)c3)S(C)(=O)=O)CC2)cc1 220165355 IXOUJIDVSQBBHL-KRWDZBQOSA-N 447.557 2.207 10 40 IECB CCN(CCO)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 9465488 VBARTIJEIMMPCG-QGOAFFKASA-N 428.489 2.388 10 40 IECB Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 23857602 SJYQSRMXNBSECJ-QFIPXVFZSA-N 436.556 2.424 10 40 IECB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 9135475 MMLSXTYUJXWXSN-JOCHJYFZSA-N 437.544 2.385 10 40 IECB COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1OC 13668826 IAZHZRSRBFKSEX-UHFFFAOYSA-N 447.557 2.386 10 40 IECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1C(=O)O 10038282 MSNCWUSAXLYJFD-XNTDXEJSSA-N 425.353 2.358 10 40 IECB CSCC[C@@H](N/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)C(=O)OC(C)(C)C 1858766 RPZKWILODOJCSM-ATGUSINASA-N 437.493 2.345 10 40 IECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 2265137 LSCAKHQFRHAKJG-ZPBCLNFZSA-N 446.463 2.317 10 40 IECB CCCCN1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@@](C)(C(=O)O)[C@@H]2C1=O 12420011 ZFHYRRQDRMRWQZ-WZTLGTBRSA-N 425.279 2.044 10 40 IECB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)CNC(=O)c1cccs1 12565300 ZWXZVILLTBHKKR-UHFFFAOYSA-N 428.558 2.243 10 40 IECB CN1CCN([C@H](CNS(=O)(=O)c2ccccc2F)c2ccc3c(c2)CCCN3C)CC1 22735559 FOOFIRYESQVAKL-JOCHJYFZSA-N 446.592 2.475 10 40 IECB CC1=C(NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 26780249 UIDOYBRMMIBRAD-FQEVSTJZSA-N 437.456 2.447 10 40 IECB CCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 2378049 XVORBWAFPXUBBE-PTNGSMBKSA-N 448.570 2.035 10 40 IECB COc1ccc(/C=C2/C(=O)N=C(O)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1OC 13810140 DRSHVVOKSYVRQD-JYRVWZFOSA-N 426.381 2.312 10 40 IECB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CCN2CCOCC2)C1)c1ccccc1 257248628 JEMYDJYVAVGPED-GOSISDBHSA-N 425.533 2.115 10 40 IECB CCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1N1CCN(c2ccc(OC)cc2)CC1 8781621 CWPSBTMBLDBIKM-UHFFFAOYSA-N 429.473 2.064 10 40 IECB O=C(O)CCCCN1C(=O)/C(=C/N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)SC1=S 98037938 DFGQAXWJOJKGKL-XKSMIVTLSA-N 433.555 2.224 10 40 IECB biogenic CN(C(=O)CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)[C@H]1CCS(=O)(=O)C1 33582254 SJJWVMIAGVCTHM-ACLQVGRQSA-N 444.987 2.187 10 40 IECB COC(=O)CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1565524301 FORDTGSVKNHKIR-DEOSSOPVSA-N 446.507 2.468 10 40 IECB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22822500 ZUFAKALCLRMBDB-QHCPKHFHSA-N 437.588 2.413 10 40 IECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccccc1 9290938 HVJQRFXAKCJLPG-RTWAWAEBSA-N 436.512 2.224 10 40 IECB O=C1/C(=C\N2CCN(Cc3ccc4c(c3)OCO4)CC2)SC(=S)N1C[C@@H]1CCCO1 101483283 WQYSHHVCGHXWTG-HUCUOGIVSA-N 447.582 2.414 10 40 IECB COc1ccc(-c2coc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1OC 20392112 LAUFHWLQOPMOFX-UHFFFAOYSA-N 440.496 2.293 10 40 IECB biogenic COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 23080583 MPUBOUTWXPPXNE-OAQYLSRUSA-N 446.617 2.337 10 40 IECB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58903830 HUXCPGWYCZRHNB-CNJGYECJSA-N 442.512 2.442 10 40 IECB CCCN1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2199481 KURWVKFBWRDCKJ-VBKFSLOCSA-N 443.598 2.366 10 40 IECB COc1ccc(S(=O)(=O)NCc2ccc(N3CCNC(=O)C3)cc2)c2ccccc12 32436424 BONNOTVAUIQESQ-UHFFFAOYSA-N 425.510 2.263 10 40 IECB COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 408586996 ATTGTJQMGUDQNH-KRWDZBQOSA-N 447.557 2.028 10 40 IECB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@H](c2ccccc2O)C1 9060559 BTBAKNAPNFSDIG-KRWDZBQOSA-N 431.470 2.306 10 40 IECB CCCCN1C(=O)NC(=O)/C(=C/Nc2cccc(-c3nn4c(C)nnc4s3)c2)C1=O 9305514 YUFUYVXVFOSOJM-UVTDQMKNSA-N 425.474 2.336 10 40 IECB COc1ccc([C@@H](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)NS(C)(=O)=O)cc1 225957093 YYAGJPYSMPOIIA-OAQYLSRUSA-N 447.557 2.033 10 40 IECB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 13573131 MGCXBLGANYGANY-XIXTVHHOSA-N 442.559 2.061 10 40 IECB Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)cc12 60353817 JHGWZQDKZREIGB-UHFFFAOYSA-N 429.911 2.102 10 40 IECB COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cccc(F)c3)CC2)cc1 11796491 NPZRJGHRZXKNIB-UHFFFAOYSA-N 435.521 2.106 10 40 IECB CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22734427 RCMVBEQAAAWJRM-DEOSSOPVSA-N 449.599 2.285 10 40 IECB CCOCCCN1C(=O)/C(=C/c2c(NCCOC)nc3ccccn3c2=O)SC1=S 8858020 NTBRBVLQKYVHGV-SQFISAMPSA-N 448.570 2.381 10 40 IECB C[C@@H](O)CNCc1cc(I)cc(I)c1O 48277696 FMBMCGIWOXEDFS-ZCFIWIBFSA-N 433.027 2.072 10 40 IECB CCOC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33859906 TXLOAAZKGZVOFX-RERGGYADSA-N 425.397 2.387 10 40 IECB COc1ccccc1N1C(=O)NC(=O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C1=O 19994713 NAHHIUHCXWMYMH-CYVLTUHYSA-N 434.496 2.416 10 40 IECB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1F 22526559 FGGZZJQJKPCRQN-UHFFFAOYSA-N 434.537 2.355 10 40 IECB CCOC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 231644346 QHIVQEPFEBLHHD-QTDDQOEGSA-N 435.524 2.173 10 40 IECB CN(C)c1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(C)(=O)=O)cc1 9382213 FTNCSVSAQWHUNN-IBGZPJMESA-N 436.559 2.235 10 40 IECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1C 409007546 OYUJWBPZKIIIIG-UHFFFAOYSA-N 439.493 2.326 10 40 IECB C[C@@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 9429849 KWGTVODLZUDOMP-URWABEEQSA-N 434.564 2.259 10 40 IECB CCN(C(=O)CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)[C@@H]1CCS(=O)(=O)C1 13574911 KKETXXJBUGVOAD-WJQTUHTMSA-N 442.559 2.063 10 40 IECB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 13633197 DXIVUFSNMIHIGB-UHFFFAOYSA-N 447.557 2.063 10 40 IECB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 22666000 ODKIERFHPHNZLO-HXUWFJFHSA-N 434.518 2.013 10 40 IECB O=C(CCCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33538267 PHMBUWLQHBLWSZ-GWQWUEFDSA-N 440.543 2.234 10 40 IECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)c2ccc(N(C)C)cc2)CC1 22809691 TZAIRKSRPKIYCY-NRFANRHFSA-N 443.979 2.449 10 40 IECB CN1CCN(c2ccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)cc2[N+](=O)[O-])CC1 409102181 DAMIHXJNVBSISP-RVDMUPIBSA-N 436.515 2.023 10 40 IECB COc1ccc(N2CCN(C(=O)c3cc4c(=O)n5cccc(C)c5nc4n3C)CC2)cc1 2917263 KMHNGDCWSQEMSO-UHFFFAOYSA-N 431.496 2.466 10 40 IECB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 12780381 JIRLOSHMURRBNI-UHFFFAOYSA-N 434.496 2.402 10 40 IECB CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C(=O)N(C)C1=S 408904041 CSROPXZHNHYUIP-UHFFFAOYSA-N 427.457 2.442 10 40 IECB Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22734492 PGWVWEUQAWFVMY-HSZRJFAPSA-N 449.599 2.339 10 40 IECB COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)N4CCCCC4)co3)CC2)cc1 56949777 PBHAYZWNWBNETI-UHFFFAOYSA-N 441.528 2.362 10 40 IECB COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)C3CCCC3)CC2)cc1 11665919 PRSTWVDCDFDYRW-UHFFFAOYSA-N 449.559 2.468 10 40 IECB CC(=O)NC1=NC(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)S1 408754936 SSLWWCAUWZLOOS-YBEGLDIGSA-N 447.450 2.469 10 40 IECB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 36594958 MGCXBLGANYGANY-JLCMVHJMSA-N 442.559 2.061 10 40 IECB CN(C(=O)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)[C@@H]1CCS(=O)(=O)C1 13573677 SJJWVMIAGVCTHM-UGMNDJHYSA-N 444.987 2.187 10 40 IECB CSCC[C@H](N/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)C(=O)OC(C)(C)C 1858772 RPZKWILODOJCSM-GOFCXVBSSA-N 437.493 2.345 10 40 IECB C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 9054126 KBXYGTSJFRYESQ-VTRAVEPZSA-N 444.987 2.233 10 40 IECB COc1ccc(N2CCN(C(=O)C[C@H](NS(C)(=O)=O)c3ccc(F)cc3)CC2)cc1 225947323 BEBXPIATKNMIHI-FQEVSTJZSA-N 435.521 2.164 10 40 IECB COc1cc(/C=C2/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc(OC)c1OC 34257693 XDTXRSLRTGBQNY-XNFYSYIQSA-N 441.483 2.232 10 40 IECB COc1ccc(N2CCN(C(=O)[C@@H](C)N(c3cccc(OC)c3)S(C)(=O)=O)CC2)cc1 220165279 IXOUJIDVSQBBHL-QGZVFWFLSA-N 447.557 2.207 10 40 IECB CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OCC 408700778 LSNQEROFPYUGQL-UHFFFAOYSA-N 447.557 2.355 10 40 IECB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccccn1 409135930 RDQGIVAQIGIAQJ-SFQUDFHCSA-N 426.498 2.384 10 40 IECB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 29089200 UNZYCENKBCDJCZ-UHFFFAOYSA-N 444.963 2.364 10 40 IECB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCOCC4)cc2)CC3)C[C@H](C)O1 72347257 RLXWCABERUBTKK-ROUUACIJSA-N 439.560 2.191 10 40 IECB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 100790373 NWELCZSXTMCQTQ-AQTBWJFISA-N 431.452 2.372 10 40 IECB CCN(CC)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 222706595 ZMYHLWTXCAJKRN-UHFFFAOYSA-N 449.573 2.487 10 40 IECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1OC 2305044 DRSHVVOKSYVRQD-MDWZMJQESA-N 426.381 2.108 10 40 IECB CCOCCCN1C(=O)/C(=C/c2c(NCCCO)nc3ccccn3c2=O)SC1=S 8858021 GJBYPPHLLFFUPZ-SQFISAMPSA-N 448.570 2.117 10 40 IECB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NC(C)C)cc3)CC2)cc1 664431 IPOLIPNYGHGABA-UHFFFAOYSA-N 447.557 2.110 10 40 IECB COc1ccc([C@H](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)NS(C)(=O)=O)cc1 225957108 YYAGJPYSMPOIIA-NRFANRHFSA-N 447.557 2.033 10 40 IECB COC(=O)[C@@H](C)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044746 VXNAHUMJGZBIRQ-CMJOXMDJSA-N 446.507 2.466 10 40 IECB CCOc1ccc(N2CN=c3s/c(=C4\C(=O)Nc5c(C)cc(C)cc54)c(=O)n3C2)cc1 2230786 LAEOSNZHOZPBJG-ZZEZOPTASA-N 434.521 2.131 10 40 IECB CCCCOC[C@@](CO)(N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O)OCCCC 102505699 YGEQVLJUCTWZKT-JIDPPIHHSA-N 433.505 2.065 10 40 IECB COC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC 9310974 QTWARIQGBPTFHM-XNTDXEJSSA-N 426.450 2.078 10 40 IECB COCCn1nnnc1[C@H](c1ccccc1F)N1CCN(c2ccc(OC)cc2)CC1 19594104 AMWULVVGZNXILB-NRFANRHFSA-N 426.496 2.379 10 40 IECB COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1OC 22589340 ZEXPTSFVEMDMNR-NRFANRHFSA-N 426.561 2.488 10 40 IECB Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)ccc21 409342132 BRMAEZYLNNUJRE-NTEUORMPSA-N 430.536 2.485 10 40 IECB