smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(C)CCCCCCCCCCCC(=O)N(O)CCC(=O)O 58568973 CHXIDLVCWGRINA-UHFFFAOYSA-N 330.469 3.142 30 1 EGEF COc1ccc(C(=O)/C=C(/O)c2ccc3c(c2)OCO3)c(OC)c1 103563584 MFEZQKKSZCXUBX-NTEUORMPSA-N 328.320 3.214 30 1 EGEF biogenic,in-vitro COC(=O)[C@H]1CC[C@@H]2[C@H]3CNC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 28758408 ZJOMBWSBLZDZAK-BOMIMWLXSA-N 331.456 3.074 30 1 EGEF CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H](O)OC1=O 64560795 AJJYJDWULCXJIR-SDQMSMHFSA-N 330.424 3.322 30 1 EGEF Cc1ccc2c(c1C(=O)C=CC(C)(C)O)C(=O)C(=O)C(C(C)C)=C2 2356598460 QRIJFKANMJMVFQ-UHFFFAOYSA-N 326.392 3.310 30 1 EGEF CC(=O)O[C@H]1[C@H](OC(C)=O)CCC2=CCC[C@H](C)[C@]2(C)[C@@H]2O[C@@]12C 2356781381 BBKOWFMHJNGPFC-MEMQEAPTSA-N 336.428 3.164 30 1 EGEF C/C=C(/C)C(=O)O[C@@]1(C)C(=O)O[C@@H]2C3=C(C)C(=O)C=C[C@]3(C)CC[C@H]21 238741088 SSCJYULVYLIUJD-JHKRKUDOSA-N 344.407 3.052 30 1 EGEF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cc(C#N)ccc1Cl)NCC2 962925515 NMNUMRAGJMGLQC-GOSISDBHSA-N 339.826 3.149 30 1 EGEF CC=C(CO)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@@H](C)[C@@]13C 2356541244 HIPQZGAHMOISRN-WQBXYVDTSA-N 346.423 3.241 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](COC(=O)CC(C)C)[C@@H]1CCC(=O)[C@]12C 2356718238 OLKZJHSZHUGDSV-MJMXYKBZSA-N 348.439 3.069 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc([C@@H]2CNCCO2)c1 587904877 BJBDBLMKANCCRA-IBGZPJMESA-N 327.811 3.409 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cn2ccnc12 587913094 WRLNDYBWIFMXCN-UHFFFAOYSA-N 340.766 3.183 30 1 EGEF COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#CC1CC1 167188219 KJFUBQIKUARDHW-UHFFFAOYSA-N 338.411 3.327 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 156772806 DWNHGPRUSBRDRF-DMWANRBWSA-N 346.423 3.250 30 1 EGEF C=C1C(=O)OC[C@H]1[C@@H](O)c1cn(C(=O)C2CC2)c2ccc(Cl)cc12 1857545259 BBAJXSOUHSBOLQ-ZBFHGGJFSA-N 345.782 3.108 30 1 EGEF COc1cc2nc([C@H](N)CC(C)C)nc(C#N)c2cc1-c1cnco1 1857597821 BJGMRGWCOBKGME-CYBMUJFWSA-N 337.383 3.211 30 1 EGEF CC1(C)C[C@H](C(=O)Nc2c(Cl)cccc2Cl)C(=O)[C@H]2O[C@@H]21 100876139 RNPZBNBGFWAMBA-YLJLNXRRSA-N 328.195 3.315 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2C(=CC[C@@H]3OC3(C)C)CO[C@H](O)[C@H]12 2356540867 BKEVIEYLBYCAMR-FQBWVUSXSA-N 334.456 3.109 30 1 EGEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@H]12 2356633141 YXTOBXGODMEKLL-DFYYWFRZSA-N 332.440 3.317 30 1 EGEF C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O 72136039 VVTDDOIRDLEBIN-FHNVZLMRSA-N 332.440 3.190 30 3 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cnc1N(C)C 587903004 HQOPKMOBNISSKH-UHFFFAOYSA-N 331.759 3.118 30 1 EGEF COc1ccc(Cl)cc1C#CC1=CC[C@H](C(=O)N(C)OC)CC1 587912083 FWFLYHYFEJXCRV-AWEZNQCLSA-N 333.815 3.446 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc([C@](C)(N)C(=O)O)c1 587904334 ITSPOPTXMBEEHC-SFHVURJKSA-N 329.783 3.007 30 1 EGEF CC(C)C1=CC2=C(C(=O)C1=O)[C@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3=O 17105126 MWAYCDXOVYWQPR-CKNLXJGOSA-N 328.408 3.159 30 1 EGEF C=CCCC(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 201464183 MVLWDNLHRWYRPZ-IBGZPJMESA-N 340.467 3.385 30 3 EGEF C=CC1=C2C(=O)CC[C@@H]3CN4C[C@H](C)[C@H]5C[C@H]4[C@@]3(C)[C@@]2(CC1)C5=O 2356448284 XTYMVYMUTIHPNR-QRVYIEKXSA-N 325.452 3.158 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(CO)C[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356542275 WLTUYPUQSWVETP-HNONPPJISA-N 348.439 3.091 30 1 EGEF C/C(=N/N=C1\SCC(=O)N1Cc1ccc(F)cc1)c1ccccn1 653887969 FJMVTUJZLGTIKX-HQNBIQMISA-N 342.399 3.076 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)ccc1S(C)(=O)=O 587916753 RAFPFDDEHKOIAD-UHFFFAOYSA-N 338.787 3.291 30 1 EGEF CCOC(=O)COc1cccnc1C#Cc1cc(Cl)ccc1OC 587913358 QQUDMOADNRMMFO-UHFFFAOYSA-N 345.782 3.085 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(OCC(C)C)n[nH]c1C(=O)O 587903522 IGMXMWZKMUOLJX-UHFFFAOYSA-N 348.786 3.205 30 1 EGEF COC(=O)c1cn2c(C#Cc3cc(Cl)ccc3OC)cccc2n1 587913055 VEAYDDZNZSXZIW-UHFFFAOYSA-N 340.766 3.183 30 1 EGEF CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)C2 15952944 OFHDIXDLAQMAOP-WBQJQJEBSA-N 328.456 3.102 30 1 EGEF C[C@@H]1N=C[C@]23C[C@@H](O)[C@H]4[C@@H](CCC5=CC(=O)C=C[C@@]54C)[C@@H]2CC[C@H]13 118921497 IRJULQGCGHNQDS-RSOCUBRASA-N 325.452 3.334 30 1 EGEF C=C1C(=O)[C@@]23C[C@H]1CC=C2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H](O)C3 2356815525 CSODFCSZYDJPLH-BWFPWAMFSA-N 330.424 3.110 30 1 EGEF C=C(C)[C@H](O)CC/C(=C/COc1cc(=O)oc2cccc(C)c12)CO 238748571 KGIMVEYISNCCTO-QOBZYLRHSA-N 344.407 3.116 30 1 EGEF O=C(CCCCCCc1nc2cc(Br)ccc2[nH]1)NO 96282686 KGEJYSFIEAQAKU-UHFFFAOYSA-N 340.221 3.324 30 1 EGEF CCc1c(C)c(C#N)c2nc3ccc(NCc4cnc[nH]4)cc3n2c1O 621431885 YYZSDAXEPHHDDM-UHFFFAOYSA-N 346.394 3.271 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C#N)c2[nH]ccc(=O)c2c1 587909437 WCLDSKYGCVHSLW-UHFFFAOYSA-N 334.762 3.462 30 1 EGEF CC(=O)O[C@H]1C/C(C)=C\CC[C@]2(C)O[C@H]2[C@H](OC(C)=O)[C@@H]1C(C)C 5831742 DRGFRBPYLMWXJS-UMXGHUHRSA-N 338.444 3.410 30 1 EGEF COc1ccc(OC)c2c1C(=O)C(Cl)=C(N1CCCCC1)C2=O 1857552422 VNEXOZRHKKBKEC-UHFFFAOYSA-N 335.787 3.019 30 1 EGEF C=CC[C@H]1C[C@]2([C@@H](C)Cc3cnc(OC)cc3F)OCOC2=CC1=O 1857556063 REVSLRGGAWXGRG-WTOJCKNJSA-N 347.386 3.200 30 1 EGEF O=C(O)C(=O)Nc1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1 1911573656 ALIJNJWQOZKBPP-UHFFFAOYSA-N 333.265 3.128 30 1 EGEF CC1=CC(=O)O[C@H](/C=C(\C)CC[C@@H](O)[C@H](C)C2=CC(=O)C(C)(C)O2)C1 238776968 LERGMWGUWISZLW-FZZHMONZSA-N 348.439 3.234 30 1 EGEF CC1=C2C(=O)C3=C([C@@H](O)[C@H]2OC1=O)[C@]1(C)CCCC(C)(C)[C@H]1CC3 653803734 QRIJKODYPMIMSS-IZZHEETASA-N 330.424 3.095 30 1 EGEF COc1cc2c3c(c1)O[C@](C[C@@H](C)C#N)(c1cccnc1)[C@@H](C2)C3=O 587436827 UQXBYWYWUPICNF-ADYAMRHXSA-N 334.375 3.283 30 1 EGEF CCCN1[C@@H](C)Cc2ccccc2[C@@]12C(=O)Nc1cc(C#N)ccc12 963245132 ZSZUQTGFYXFZGL-LHSJRXKWSA-N 331.419 3.411 30 1 EGEF C#Cc1cccc(N[C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)c1 1772605973 GDWZPGDVJPMMQX-NRFANRHFSA-N 343.382 3.434 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@]3(CO)O[C@H]3C[C@H]12 100089887 PRUIDJLINDRLON-MKSAAGMNSA-N 332.440 3.461 30 1 EGEF in-vitro CC=C(C)C(=O)O[C@H]1C[C@H](O)C(C)(C)[C@@H]2[C@H]3C(C)=CC(=O)[C@H]2[C@]13C 2356519100 NHVUXTQHFHSPJY-NRFDFHEYSA-N 332.440 3.053 30 1 EGEF CCCCS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2 299814058 UICFBGNGAIMXNF-UHFFFAOYSA-N 330.409 3.435 30 1 EGEF N#Cc1ccc(OCc2nc3ccc(Br)c(O)c3[nH]2)cc1 587191785 XNOGCWIYRJKIIY-UHFFFAOYSA-N 344.168 3.482 30 1 EGEF CCOC(=O)C(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587904934 DYSRBVNOOCVOEL-UHFFFAOYSA-N 342.778 3.494 30 1 EGEF N#Cc1cc(O)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 587191050 NDGANJAADRSDNM-UHFFFAOYSA-N 333.120 3.104 30 1 EGEF C/C(O)=C/C(C)=N/N=C1/c2ccccc2-n2c1nc1ccccc1c2=O 1772589633 CVUIGPPXBZKTPD-WNBDNBDPSA-N 344.374 3.374 30 1 EGEF CC(=CCOc1ccc2ccc(=O)oc2c1)C[C@H]1O[C@H]1C(C)(C)O 2356430433 UUNMPBCTAGMNET-SJLPKXTDSA-N 330.380 3.047 30 1 EGEF C=C1C(=O)O[C@H]2[C@H]3O[C@H](C[C@H]12)[C@](C)(O)CCC=C(C)CCC=C3C 2356804961 VBYMSIBEPZVJMK-BFMVXSJESA-N 332.440 3.459 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(C[C@H](C#N)CO)c1 587904774 WUNAPTYGCXBQCO-MRXNPFEDSA-N 325.795 3.423 30 1 EGEF COc1ccc(/C=C2\C[C@H]3C[C@@H](\C2=N\NC(N)=S)C3(C)C)cc1 1772613077 KVRDJXCPCLRHCJ-FWJZMJOQSA-N 329.469 3.334 30 1 EGEF CC(=O)[C@@H]1CC[C@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@@H]2C1 13736580 CWLAYYXVQIWWAE-YVECIDJPSA-N 342.391 3.134 30 1 EGEF CC(=C[C@H]1CC(C)=CC(=O)O1)CCC[C@@H](CO)C1=CC(=O)C(C)(C)O1 2356416680 BRJHUZQYQKIANE-HOTGVXAUSA-N 348.439 3.235 30 1 EGEF C[C@H]1CCCC/C1=N\NS(=O)(=O)c1ccc(Br)cc1 101487192 UFKAWKPRQKMKDU-FIKMJJSBSA-N 345.262 3.294 30 3 EGEF C[C@H](C(=O)/N=C1\C=C(C2CC2)N=N1)c1ccc(N2CCNC2=O)cc1 103527600 JPAWNIKVRIVDBT-NABPABCNSA-N 337.383 3.005 30 1 EGEF in-vivo C=C1C(=O)O[C@@H]2[C@H](OC(=O)[C@H](C)CC)C(C)=CCCC(C)=C[C@H](O)[C@@H]12 2356454199 BZZWFLKOMFMSRX-WRJYRGCMSA-N 348.439 3.089 30 1 EGEF N#Cc1c(Cl)cccc1-c1cccc(C(=O)CC(=O)C(=O)O)c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n1nc(C#N)c2c(C)n(-c3c(Cl)cccc3Cl)nc2c1=O 49115124 NSQVGCQBZUOGKK-UHFFFAOYSA-N 348.193 3.089 30 1 EGEF C=C1C(=O)O[C@H]2C[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238765440 DTOFRQNTRKNUMY-YFTOEFSKSA-N 346.423 3.250 30 1 EGEF N#Cc1cc(F)ccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587158944 TZTXSDVKAUGTMD-UHFFFAOYSA-N 327.231 3.057 30 1 EGEF CCCCOc1cccc(/C(O)=C2\C(=O)CN([C@H](C)CC)C2=O)c1 103296131 SWUCUEJEIJZYHE-XAGMJWQQSA-N 331.412 3.344 30 1 EGEF C=C[C@@H]1C(C)(C)C(=O)[C@H]2C[C@@]1(C)[C@H]([C@H]1CC(=CC)C(=O)O1)[C@]2(C)O 2356488280 HFDDHJXHLBUPOC-FWJICIDOSA-N 332.440 3.053 30 1 EGEF CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@@H]1CC=CCC1 26837478 CMMYHGLFWPAMJF-TZIWHRDSSA-N 325.452 3.193 30 1 EGEF C=CCC1=C[C@@]2(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(C)c(OC)c1)[C@@H]2C 2356707913 AVSXXIMSXZTQPO-SALMDCRWSA-N 340.419 3.393 30 1 EGEF C=C1CC=C2[C@H](C=C(C)CC[C@@H]3O[C@]3(C)CC[C@@H]1O)OC[C@@]2(C)O 2356804889 VBDTURLFWRHISG-WKWVNEEDSA-N 334.456 3.048 30 1 EGEF CC=C(C)C(=O)Oc1ccc(OC(=O)[C@]2(C)O[C@@H]2C)c([C@H]2O[C@@H]2C)c1 2356828703 IKALAAUPDYFZAW-NGOSSMBMSA-N 346.379 3.101 30 1 EGEF COc1ccc(Oc2nc(C)ccc2/C(=N/O)NC2CCC2)cc1 72182820 QPBFONDOKXGAHR-UHFFFAOYSA-N 327.384 3.469 30 1 EGEF COc1ccc(Cl)cc1C#Cc1n[nH]c2nc(C)nc(Cl)c12 587912841 ZHPOKBKEALWHQQ-UHFFFAOYSA-N 333.178 3.377 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@@H]1[C@@H](O)C/C(C)=C\CC/C(C)=C/[C@@H](O)C[C@@H]2C 169333393 GQTPRLWQZDUWKJ-MDMFCBAKSA-N 334.456 3.299 30 1 EGEF COc1ccc2c(c1)-c1n[nH]c(/C=C/C(=O)c3ccc(N)cc3)c1C2 1857620564 NKMJFXMEJLKGRY-CMDGGOBGSA-N 331.375 3.468 30 1 EGEF CN(CC(=O)O)[C@H](CC#N)Cc1ccc(OCc2ccccc2)cc1 1857651622 MXQFSEQRNBGCLA-GOSISDBHSA-N 338.407 3.107 30 1 EGEF CC(C)(S)CNC[C@@H](NCC(C)(C)S)c1ccccc1O 28264803 SLUXNRUGUHOMDM-CYBMUJFWSA-N 328.547 3.029 30 1 EGEF O=C(NO)c1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 1911571525 RJBJXZBRVYLMOY-UHFFFAOYSA-N 342.370 3.395 30 1 EGEF C#CCn1c(O)c(/N=N/C(=O)[C@H](O)c2ccccc2)c2ccccc21 101492468 QUNPSFIWEMCYCC-SGRLSNSRSA-N 333.347 3.324 30 1 EGEF CCCCCCCCNC(=O)C1(C#N)SCC(N(C)C)CS1 103192044 KPZUONGCNDLJKE-UHFFFAOYSA-N 343.562 3.093 30 1 EGEF CCCCCC/N=C(N)/N=C(\N)NCc1ccc(Cl)c(Cl)c1 29414745 MJQPTXPFWMZXOE-UHFFFAOYSA-N 344.290 3.293 30 1 EGEF CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C 253978896 XQOSNJUURCKQGN-FJKKNBDQSA-N 344.451 3.197 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)O)c(NC(C)=O)c1 587903984 XUPNJYIZCFJIPX-UHFFFAOYSA-N 343.766 3.405 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)CC(=O)/C1=C/N(C)C)O2 587387794 SJPRHUTVMJVBGW-QNOJTCODSA-N 342.439 3.116 30 1 EGEF C=CCNC(=O)c1ccc2c3n(nc2c1)-c1ccc(Cl)cc1CO3 12726896 YBFRWBCXSODXBV-UHFFFAOYSA-N 339.782 3.487 30 3 EGEF CO/N=C(\C=C\c1ccncc1)c1cc(OC)c(OC)c(OC)c1 13602112 GPRHTGLASRZTJF-DERPFNPXSA-N 328.368 3.171 30 1 EGEF C=CC[C@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@@H]2C 169334787 KPAMAOKNEWVTGG-TXYQZCGRSA-N 326.392 3.289 30 1 EGEF CC[C@]1(O)C[C@H](O)[C@H]2[C@@H]3CC[C@H]4CC(O)=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C 2356314310 YXMCPINQJVUPGV-WPAKKICXSA-N 348.483 3.372 30 1 EGEF Cn1cc(-c2ccc(-c3nc4ccncc4c(O)c3C#N)cc2)cn1 73311184 WDAXLBAKDGINEB-UHFFFAOYSA-N 327.347 3.275 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(N2C(=O)CCC2=O)cc1 587907266 IRXSNOSGZYLFBD-UHFFFAOYSA-N 339.778 3.402 30 1 EGEF O=C1CNC(=O)/C1=C(\NC1CCCCC1)c1cccc2ccccc12 169310883 VMDHVNKRKOMRCT-VXPUYCOJSA-N 334.419 3.172 30 1 EGEF CCc1cc(Nc2c(N[C@H](C)C(C)(C)C)c(=O)c2=O)ccc1C#N 102186628 BWQWDQGBNJLOQF-LLVKDONJSA-N 325.412 3.307 30 1 EGEF CCOc1ccccc1Oc1ncc(C#C[C@@H](C)NC(C)=O)s1 36184994 PYQCVMJFBMJPEN-GFCCVEGCSA-N 330.409 3.210 30 1 EGEF CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C 36462993 POQLDVULDKRFNY-ZCRVARCLSA-N 330.468 3.406 30 1 EGEF CCCCCCC/C=C(\C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O 85975449 JFFANXXIOVCBBG-GMFKRJRZSA-N 339.476 3.366 30 3 EGEF C=CC[C@H](OC(=O)N[C@@H](CC(C)C)C(=O)NCC#N)c1ccccc1 82065201 AHWFPZIKILLEFJ-IRXDYDNUSA-N 343.427 3.084 30 1 EGEF CCOc1ncc(C#Cc2cc(Cl)ccc2OC)cc1C(=O)O 587909683 YMBNUVYGMONXSX-UHFFFAOYSA-N 331.755 3.240 30 1 EGEF C=CCO[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600167 MNFFLOCDQWXALM-FUHIMQAGSA-N 338.359 3.458 30 1 EGEF COc1cccc(-c2n[nH]c3c2[C@H](c2ccoc2)[C@@H](C#N)C(=N)O3)c1 169688359 IZDURIQMUBTERE-ZIAGYGMSSA-N 334.335 3.320 30 1 EGEF C/C(=N/N=C1/SCC(=O)N1C(=O)c1ccccc1)c1ccsc1 1857762269 DZPKHJQFQRKQQJ-FWBCWGBVSA-N 343.433 3.244 30 1 EGEF C=C(C)n1c(=O)n(C(=O)c2ccccc2C)c2ccc([N+](=O)[O-])cc21 1857763906 OHMZWNQCCHKUEH-UHFFFAOYSA-N 337.335 3.199 30 1 EGEF OC[C@H](O)C#CC#CCCCCCCCC/C=C/Br 13379570 WPDBFRMBTCLQRW-WCRPCQDQSA-N 327.262 3.376 30 1 EGEF Cc1ccccc1Oc1cn(C)c(=O)c(Nc2ccc(C#N)cc2)n1 28110628 FIVXUBZTOURSMN-UHFFFAOYSA-N 332.363 3.496 30 1 EGEF CN(C)CC#CCCC(=O)[C@@](O)(c1ccccc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c1ccnc(C#Cc2cc(Cl)ccc2OC)c1F 587916104 CGWPCTWOCXQADN-UHFFFAOYSA-N 333.746 3.459 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(OC)c(OC)c(C(=O)O)c1 587903459 GJFNKBNJDMRYFD-UHFFFAOYSA-N 346.766 3.464 30 1 EGEF C[C@@H](CS)C(=O)N(CC(=O)O)c1ccc(Oc2ccccc2)cc1 28263771 VHSLQMAEMWULPV-ZDUSSCGKSA-N 345.420 3.462 30 1 EGEF C[C@@]12CC[C@H]3C[C@]1(C#N)N(C(=O)c1cccc([N+](=O)[O-])c1)C[C@]32C 2871160 VVPWYMMLGFSQBL-HNONPPJISA-N 325.368 3.139 30 1 EGEF C=C(C)[C@@H](O)Cc1c(O)ccc(C(=O)CCc2ccc(O)cc2)c1O 2356559708 IUCXJOIWFNHZDB-IBGZPJMESA-N 342.391 3.098 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(C)[C@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 2356565292 VEHYPXYXFNEPJB-YONFGDDVSA-N 348.439 3.089 30 1 EGEF COc1ccc2c(c1)OC/C(=C\c1cc(OC)c(O)c(OC)c1)C2=O 28954817 BDFYVHJKNZTHEY-WUXMJOGZSA-N 342.347 3.077 30 1 EGEF C[C@@H]1C(=O)C=C2C(C)(C)CCC[C@]2(C)[C@]12CC[C@](CO)(CCO)O2 2356770752 HDJHUJJVFNEQOO-YGBSJELFSA-N 336.472 3.011 30 1 EGEF Cc1cccc(Oc2ccc(/C(=N/O)NC[C@H]3CCCO3)cn2)c1 72186174 KAFKPVUXVCRUFM-MRXNPFEDSA-N 327.384 3.087 30 1 EGEF C=CC1=C2C(=O)CC[C@@H]3CN4C[C@@H](C)[C@H]5C[C@@H]4[C@]3(C)[C@]2(CC1)C5=O 238734678 XTYMVYMUTIHPNR-YSQOEHLKSA-N 325.452 3.158 30 1 EGEF CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(-c2ccccc2)cc1 653805840 RVBYRZDEPARTBT-MRXNPFEDSA-N 326.396 3.062 30 1 EGEF N#CC[C@]1(C2CCC2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962661724 ICRVRJZUFFWURA-SFTDATJTSA-N 349.434 3.242 30 1 EGEF CC(C)C1=CC2=C(C(=O)C1=O)[C@@]13CCCC(C)(C)[C@H]1C[C@H]2OC3=O 105363362 MWAYCDXOVYWQPR-ARGWCVDVSA-N 328.408 3.159 30 1 EGEF CCOC(=O)c1ccc(/N=N\c2c(O)nc(O)c(C#N)c2C)cc1 102738594 XMOJZGMPQJBDAO-VXPUYCOJSA-N 326.312 3.265 30 1 EGEF CCCn1cc(/C=C/C(=O)CC(=O)C(=O)OCC)c2ccccc21 101704901 HVLDDWAFKZCGSF-MDZDMXLPSA-N 327.380 3.156 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)C(=O)CC[C@H](C)[C@H](OC(=O)C(C)=CC)C[C@@H]12 2356489991 RUHDFIFDAUWXFM-AIGAYMNCSA-N 348.439 3.378 30 1 EGEF C=C(C)[C@@H]1C[C@@H]2C(C)(C)C(Br)=C[C@H](O)[C@]2(C)OCO1 2356554396 WEXKOQISSZMUMG-YODMDTAWSA-N 331.250 3.380 30 1 EGEF N#Cc1ccc2c(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)coc2c1 587277986 JWNAQNPQEVZDDH-FQEVSTJZSA-N 346.386 3.388 30 1 EGEF Cc1nc2[nH]c(-c3ccc(O)c(C#N)c3)nc2cc1Br 587188576 QHZVJPMALSBLFZ-UHFFFAOYSA-N 329.157 3.273 30 1 EGEF C=C(C)[C@@H](O)Cc1c(O)ccc2c1O[C@@H]1c3ccc(O)cc3OC[C@@H]21 59729383 LRCYZCCKRIVTHN-RIFZZMRRSA-N 340.375 3.187 30 1 EGEF CCNc1nc2cc(Cl)c(C#CC[C@@H](C)O)cc2nc1NCC 115764917 NUKFJQUPCJJTIE-LLVKDONJSA-N 332.835 3.269 30 1 EGEF C=C1[C@H]2CC(=O)C(=CC)[C@@H]2[C@@H](C(C)C)[C@@H](OC(=O)C(C)=CC)[C@H]1O 2356634734 KNXRRYNSMUERBP-GYFISPQKSA-N 332.440 3.219 30 1 EGEF N#Cc1ccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1 263590597 AUZHCCCZSYMACF-BZZMCLGOSA-N 325.412 3.370 30 3 EGEF COc1ccc(Cl)cc1C#Cc1ccc(OCCCN(C)C)nc1 587908478 XJXGTVYOUZOJBU-UHFFFAOYSA-N 344.842 3.474 30 1 EGEF Cc1ncsc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587899209 WXQBHQSLHHITPJ-UHFFFAOYSA-N 339.247 3.469 30 1 EGEF C/C1=C/C=C(\[C@@](C)(O)CO)CC(=O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1 169369413 QYPUAWRQTMYIDE-BRZJXRLUSA-N 334.456 3.239 30 1 EGEF Cc1cccc(N2C(=S)[C@@H](C#N)C(=O)N[C@@H]2c2cccs2)c1 169686817 IJKVMFPSLGVPHG-JSGCOSHPSA-N 327.434 3.159 30 1 EGEF CO/N=C/CCC(F)(F)c1ccc([C@@H](C)[S@](C)(=O)=NC#N)cn1 103199361 ZEFPWRSXVTWVRD-OUOPARBASA-N 344.387 3.226 30 1 EGEF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](C)CC[C@@H]3O[C@]31[C@@H]2O 2356550611 ICAKWODMRWJSPW-BPFBMMQYSA-N 334.412 3.449 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(COCC(=O)O)cc1 587906004 OQVPQNOYTQKFMP-UHFFFAOYSA-N 330.767 3.350 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C#CC(C)(C)O)s1)O2 587408347 BBPBAZFZMPMLEP-INIZCTEOSA-N 341.432 3.468 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1CNC(=O)CC#N 587901399 AXGHWRQWJYMYNF-UHFFFAOYSA-N 338.794 3.278 30 1 EGEF CC(=O)Nc1ccc2c(c1)[C@](C#CC1CC1)(C(F)(F)F)OC(=O)N2 5856858 GEXMVGJMVKSGDP-OAHLLOKOSA-N 338.285 3.378 30 1 EGEF C#CCn1c(O)c(/N=N\C(=O)[C@H](O)c2ccccc2)c2ccccc21 102397268 QUNPSFIWEMCYCC-QBEKEKFNSA-N 333.347 3.324 30 1 EGEF C=C1CCC[C@H](COC(C)=O)CC[C@@H](C(C)(C)O)C[C@@H]1OC(C)=O 2356338068 LVNLZLPJBZFVFM-KSZLIROESA-N 340.460 3.395 30 1 EGEF C=CCN(CC)C(=O)[C@]1(c2ccccc2)[C@@H](CN)[C@@H]1c1ccccc1 29046897 RTMQOOCMZQWPBD-JAXLGGSGSA-N 334.463 3.331 30 1 EGEF Cc1coc2c1C(=O)C1=C(C2=O)[C@@]23CCCC(C)(C)[C@@H]2C[C@@H]1OC3=O 34659074 BKSQBCMGLROBAX-SULUTDIPSA-N 340.375 3.405 30 1 EGEF CO/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 96170303 ADCSWIVUDXJHKA-WYMPLXKRSA-N 349.369 3.378 30 1 EGEF CC(C)(CC(=O)O)Cc1nc2cc(C#N)cc(Br)c2[nH]1 587955466 KCCPBUNBXIYKEW-UHFFFAOYSA-N 336.189 3.240 30 1 EGEF CCCCCCc1cn(C[C@H]2O[C@H](OCCC(C)C)C=CC2=O)nn1 169353700 AOEZPHIDIWOEQC-MOPGFXCFSA-N 349.475 3.314 30 1 EGEF CN(C)CCN1C(=O)c2cccc3cc4ccc(C#N)cc4c(c23)C1=O 27555761 LRNHMAAOKPHJHZ-UHFFFAOYSA-N 343.386 3.022 30 1 EGEF CC1=C(CCCCCC(=O)NCCC#N)C(=O)c2ccccc2C1=O 28468301 JWFABDXKUDSHHO-UHFFFAOYSA-N 338.407 3.362 30 1 EGEF CC(C)=CCC(=O)C(C)=CCC[C@]1(CO)O[C@@H]1CCC(C)=CCO 2356648804 QFOKXRAQWYQLQM-WOJBJXKFSA-N 336.472 3.487 30 1 EGEF C[C@@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45CC4(CC[C@]35C)OCCO4)[C@H]1CCC2=O 2356729657 YXFMREIBQXTTRD-JWTDHPDTSA-N 346.467 3.473 30 1 EGEF CC(=O)O[C@H]1[C@@H](C(C)C)[C@H](OC(C)=O)CC(C)=CCC[C@]2(C)O[C@H]12 1656937 DRGFRBPYLMWXJS-SPOLIRPYSA-N 338.444 3.410 30 1 EGEF biogenic COc1cccc(CN/C(=N\O)c2cccnc2OCC(C)C)c1 72100819 XEZZIRKBCIHSJW-UHFFFAOYSA-N 329.400 3.051 30 1 EGEF Cc1ccc(/C(=N/O)n2ccnc2C)c(OCc2ccccc2C)n1 72183292 QKZYILDQWTVUFF-PYCFMQQDSA-N 336.395 3.466 30 1 EGEF C=C[C@H]1CN2CC[C@H]1C[C@@H]2c1[nH]c2ccc(OC)cc2c1CCO 13396995 LSCMBADHRZWQFC-CKFHNAJUSA-N 326.440 3.280 30 1 EGEF biogenic COc1ccc(Cl)cc1C#Cc1ccc(OCC(=O)O)c(C=O)c1 587902471 WEKCLFAUMZMTTK-UHFFFAOYSA-N 344.750 3.024 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C2(C(=O)O)CC2)ccn1 587913436 UULVUGMSSORLLS-UHFFFAOYSA-N 327.767 3.260 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(N)c(C(N)=O)cc1Cl 587901344 ZMEDBYXKZOBLJM-UHFFFAOYSA-N 335.190 3.083 30 1 EGEF C=C1[C@@H](OC(=O)CC(C)C)C[C@@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 15107400 RJNJFKDVPIFVPQ-QTODTUCWSA-N 336.472 3.379 30 1 EGEF endogenous,in-man CC=C(C)C(=O)O[C@@]12C(=O)[C@]3(C(=O)C(O)=C1C)[C@@H](CC[C@H]3C)C2(C)C 2356672267 CNSCLIJSQQBULZ-SSUPWUHESA-N 346.423 3.291 30 1 EGEF COC(=O)c1sc2cc(C#Cc3ccccc3F)cnc2c1N 66102539 TUYHNFSMQVAFHH-UHFFFAOYSA-N 326.352 3.204 30 1 EGEF CCCc1cnc2c(C#N)c(N3CCN(c4ccccc4)CC3)ccn12 45386729 MBXYDQQMZSJNRN-UHFFFAOYSA-N 345.450 3.485 30 1 EGEF C[C@H](CCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)CC(=O)O 587960705 MMCZQVSVCCHJDI-MRVPVSSYSA-N 325.290 3.497 30 1 EGEF Cc1cc(C#Cc2nc3cc4c(cc3[nH]2)OCCCO4)ccc1[N+](=O)[O-] 587262814 YGUQFJUJOJSNJB-UHFFFAOYSA-N 349.346 3.341 30 1 EGEF CC(C)N(O)C(=O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2 13745516 RIHJUKPCBBKEOD-UHFFFAOYSA-N 339.391 3.369 30 1 EGEF CCOc1cc2c(cc1O)/C(=N\N)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 13763810 FAWYOZHQZVQBPR-OAIJLOQGSA-N 344.455 3.128 30 1 EGEF COc1cc(/C=C2\Oc3c(OC)cccc3C2=O)cc(OC)c1OC 169334653 QIESMIUREKQIFR-ZSOIEALJSA-N 342.347 3.337 30 1 EGEF C[C@H](CS)C(=O)N(CC(=O)O)C1CCC(c2ccccc2)CC1 28260426 AKTMWIHHSPYFEA-IUDNXUCKSA-N 335.469 3.192 30 1 EGEF N#Cc1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1 34216068 QYTYYXYHPNDSAD-UHFFFAOYSA-N 340.390 3.416 30 1 EGEF COc1cc(OC)c(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC 82154208 ATJICGUURCGORE-GQCTYLIASA-N 342.347 3.337 30 1 EGEF Cc1nn(Cc2nc3ccc(C#N)cc3[nH]2)c(C)c1Br 586979065 PPQDUAJQCHUCBE-UHFFFAOYSA-N 330.189 3.059 30 1 EGEF CCCCOc1n[nH]c(C(=O)O)c1C#Cc1cc(Cl)ccc1OC 587904014 ZIFFBOBMUUUBSG-UHFFFAOYSA-N 348.786 3.349 30 1 EGEF CNC(=O)Cc1cc(OC)ccc1C#Cc1cc(Cl)ccc1OC 587900799 SFSLYTHTNWGTGT-UHFFFAOYSA-N 343.810 3.046 30 1 EGEF C=C1CCC[C@H](COC(C)=O)CC[C@H](C(C)(C)O)C[C@@H]1OC(C)=O 685935978 LVNLZLPJBZFVFM-BZSNNMDCSA-N 340.460 3.395 30 1 EGEF biogenic,in-vitro CC(C)(C)NC(=O)[C@H](CCCCCS)NC(=O)OC(C)(C)C 14969987 FYJYSSQDWGZNHS-LBPRGKRZSA-N 332.510 3.285 30 1 EGEF CC(C)=CC[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)C[C@@H](C)O[C@@]431)C2=O 169349412 REMHECGSDXLQKX-YIPSCSJGSA-N 330.424 3.152 30 1 EGEF Cc1ccc(-c2c(C#N)c(N)n(-c3ccccc3)c(=O)c2C#N)cc1 343709 KUJZANCSHCSPOJ-UHFFFAOYSA-N 326.359 3.138 30 3 EGEF C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H]1O[C@]1(C)CC/C=C(\C)CC/C=C(\C)[C@H]2O 100089890 HVJGVUTXXJGUKC-BGRHJSJQSA-N 332.440 3.459 30 1 EGEF in-vitro Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn1-2 118891406 KIVQXKXZISOGBE-UHFFFAOYSA-N 341.349 3.031 30 1 EGEF CCCCCCCCCOC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 43273684 NVKXGLKOMOGLKI-OAHLLOKOSA-O 332.461 3.440 30 1 EGEF C[C@H](O)CC#C[C@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21 299819080 BEIGSKZKRNOYJY-SDBXPKJASA-N 333.693 3.434 30 1 EGEF Cc1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1C 587262093 NYNMRKMRCUJWOI-UHFFFAOYSA-N 337.335 3.236 30 1 EGEF Cc1ccc(S(=O)(=O)NN=C2CC(C)(C)CC(=O)C2(C)C)cc1 17020022 SDDNDZSHMKXSMT-UHFFFAOYSA-N 336.457 3.045 30 3 EGEF C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C\CC/C(C)=C/CC[C@@]3(C)O[C@H]3C[C@H]12 169369557 HVJGVUTXXJGUKC-OQOCVHHKSA-N 332.440 3.459 30 1 EGEF CCCc1[nH]nc2c1[C@H](c1ccc(O)cc1OCC)[C@@H](C#N)C(=N)O2 169691020 GEIBAYIOFZJPCA-IUODEOHRSA-N 340.383 3.108 30 1 EGEF CC1(C)Cc2c(nn(-c3cccc(C(F)(F)F)c3)c(=N)c2C#N)CO1 169730333 JISFWFLACJLEFL-UHFFFAOYSA-N 348.328 3.094 30 1 EGEF O=C(N[C@]12CCC[C@](C#Cc3ccccn3)(CC1)C2)c1ccc(F)cn1 204975947 NVCCLRDMFCSDNW-LEWJYISDSA-N 349.409 3.490 30 1 EGEF N#Cc1ccc(-c2cnc3[nH][nH]c(=NC(=O)C4CCCCC4)c3c2)cc1 1857642911 GSPBSNSBANPAEB-UHFFFAOYSA-N 345.406 3.437 30 1 EGEF C#CCOc1c(OC)cc2c3c1-c1cc(N)ccc1C[C@H]3N(C)CC2 1911572626 BBXOOHQXEJHYOD-QGZVFWFLSA-N 334.419 3.042 30 1 EGEF COc1ccccc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c1ccoc1 2356621785 QARMCHBZCFCHAP-AABGKKOBSA-N 332.440 3.420 30 1 EGEF C=CC=CCC1=C(C)[C@H](OC(=O)[C@H]2C[C@@H]2C=C(C)C(=O)OC)CC1=O 2356774303 UZMCMZCHUMYZFH-QILLFSRXSA-N 344.407 3.075 30 1 EGEF CCCCCCCC(=O)NCCCc1nc2cnc(Cl)[nH]c-2n1 587228512 RDFAHGYNUOAVMU-UHFFFAOYSA-N 337.855 3.367 30 1 EGEF CC(=O)[C@@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@@H]2C1 169303820 CWLAYYXVQIWWAE-VOAKCMCISA-N 342.391 3.134 30 1 EGEF O=C(O)/C(O)=C/C(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 101613266 ZEGCNTQIBGEXIV-DHDCSXOGSA-N 345.738 3.302 30 1 EGEF C#CC=CCCCCCCC#CC#CCCCC#CC#C[C@@H](O)CO 2356683748 CXKNSXTVPUUYQM-HSZRJFAPSA-N 334.459 3.054 30 1 EGEF CCCCC1(CCCC)C(=O)NC(=Nc2ccccc2OC)NC1=O 6569738 ZXUFSWDXNVMQGL-UHFFFAOYSA-N 345.443 3.296 30 1 EGEF biogenic CC1=NC[C@]23C[C@@H](O)[C@@H]4[C@@H](CCC5=CC(=O)C=C[C@@]54C)[C@H]2CC[C@H]13 85868788 QTJNBGXAMZCXMH-OHFNBNKZSA-N 325.452 3.336 30 1 EGEF CC1(C)NC(=N)NC(=N)N1c1ccc(/C=C/C(=O)c2ccccc2)cc1 653719666 ZAXPCEQXNZMICD-JLHYYAGUSA-N 347.422 3.188 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(CC(=O)O)ccc1OC 587899540 CSFVLPWVPFDERD-UHFFFAOYSA-N 330.767 3.384 30 1 EGEF COc1ccc(Cl)cc1C#CC1=CC(=O)O/C1=C\Br 587912796 YROABKYTIBNMGQ-JYRVWZFOSA-N 339.572 3.420 30 1 EGEF C=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(C(=O)O)CC=C[C@@]3(C)[C@@]2(O)CC1 2356512510 WIEULLALQDWNTC-MTQWCTHYSA-N 344.407 3.082 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2C(=CC[C@H]3OC3(C)C)COC(=O)[C@H]12 2356455906 LMFHJCCRCFDDMJ-BRSBDYLESA-N 332.440 3.317 30 1 EGEF COc1ccc(/C=C/C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)cc1 28957537 YIHQNPWOCQCOHM-NYYWCZLTSA-N 333.343 3.021 30 1 EGEF N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@]1(C#N)[C@@H](c1ccccc1)O3 195516002 YDHPTFXGAJFNQY-LTDCPUDJSA-N 332.363 3.195 30 1 EGEF C=CCSc1cc(C(=O)O)cc(NC=O)c1C(=O)c1ccccc1 169343310 KIOVHDPAOPQWFP-UHFFFAOYSA-N 341.388 3.462 30 1 EGEF COCC1=C(C(=O)OC)[C@@H](c2ccccc2Cl)[C@H](C#N)C(C)=N1 169724039 MVBBGECPMAQJJJ-DOMZBBRYSA-N 332.787 3.111 30 1 EGEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](O)[C@H]1C(=O)OC[C@H]1O 1857539188 MENCHHCXRJOZED-NURLQKBJSA-N 336.472 3.070 30 1 EGEF CCCCCCCN=c1nnc2ncc(Sc3ccccc3)n2[nH]1 1857602332 BOOKASPGDBKKLA-UHFFFAOYSA-N 342.472 3.475 30 1 EGEF N#CCC(=O)Nc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 2659066 JRCYFWIXAMPEMU-UHFFFAOYSA-N 327.771 3.122 30 3 EGEF CCO/C(O)=C1/C(=O)CC2=C(C(=O)OC2)[C@@H]1c1ccccc1Cl 101007603 PRNXSFBPIPRLRI-MBUFOBGISA-N 334.755 3.056 30 1 EGEF CCCCCCCCCCCCN[C@@H]1C[C@@H]2CO[C@@H]([C@H]1O)[C@@H]2O 103031067 YFDWEAPLYFUHEO-IEWDOMPSSA-N 327.509 3.006 30 1 EGEF C=CCN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1cccc(OC(C)=O)c13 64245815 YRWLYTORNDEKCO-UEXGIBASSA-N 339.435 3.035 30 1 EGEF CCCCCC=CC1=C(CC)[C@@H]2OC(C)(C)[C@H](O)C[C@]23O[C@H]3[C@H]1O 2356854487 RPEQSKPEWZMDDW-NSOKGPEJSA-N 336.472 3.270 30 1 EGEF C#Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587887202 FLACTAQAOAQHFY-UHFFFAOYSA-N 343.213 3.080 30 1 EGEF CCCCn1c(O)c(C(C)=Nc2ccc3c(c2)CCC3)c(O)nc1=O 1779685987 SNHWMYHYSDFZSG-UHFFFAOYSA-N 341.411 3.084 30 1 EGEF COc1cc(OC)c(-c2cn3ccc(N4CCCC4)cc3n2)cc1C#N 1857533873 FAMHLBNOYPFNLY-UHFFFAOYSA-N 348.406 3.490 30 1 EGEF Cc1ccc(/C=N/OCCN2CCC[C@@H](C(=O)O)C2)c2ccccc12 1857577749 NJWPPTYIFGOUSO-VYVDHXHBSA-N 340.423 3.295 30 1 EGEF COC[C@@]1(O)CC[C@@H]2C1=C[C@@]1(C)CC(=O)C(C(C)C)=C1C[C@H](O)[C@@H]2C 39052063 UFGRMUDXNJXKQF-VKOMNXFXSA-N 348.483 3.033 30 1 EGEF COc1cc(C(=O)/C=C/c2ccccc2C=O)cc(OC)c1OC 45350313 OTSCQMDZPGOCNJ-CMDGGOBGSA-N 326.348 3.421 30 1 EGEF O=C1C=C(NC2CCN(Cc3ccccc3)CC2)c2ccccc2C1=O 473148691 HAJDDHBUKKLEIK-UHFFFAOYSA-N 346.430 3.047 30 1 EGEF CC(C)(C)OC(=O)NCc1[nH]c2cccc([N+](=O)[O-])c2c1CCC=O 587647465 YKDWLOKNZFBQIO-UHFFFAOYSA-N 347.371 3.232 30 1 EGEF COc1cc2c(cc1OC)[C@](CC#N)(c1ccco1)N(C)[C@H](C)C2 962634801 LUZWFTPYOMCBQI-BFUOFWGJSA-N 326.396 3.330 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@@H]3C=O 2356346773 YMDYUWHAQBYOMU-JLCXDYGHSA-N 332.440 3.046 30 1 EGEF CC1=C(C)C(=O)C([C@H](CCCC(=O)O)c2cccnc2)=C(C)C1=O 100033928 OQHXUMKNZXYDHZ-OAHLLOKOSA-N 327.380 3.225 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)C=C(C)CCC=C(C)[C@H]2OC(=O)[C@H](C)CC 2356454197 BZZWFLKOMFMSRX-CUWKQTPXSA-N 348.439 3.089 30 1 EGEF CCCCCC=CC1=C(CC)[C@@H]2OC(C)(C)[C@H](O)C[C@]23O[C@@H]3[C@@H]1O 2356854488 RPEQSKPEWZMDDW-NUABRCLCSA-N 336.472 3.270 30 1 EGEF CCCCCCCCCCCCn1c(=O)[nH]c2nc(O)[nH]c(=O)c21 43706671 HZWGPWOJVULHBJ-UHFFFAOYSA-N 336.436 3.039 30 1 EGEF CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(C)c1C 18246683 HGNCCFWWBKGFFI-XIGQLOAZSA-N 343.427 3.346 30 1 EGEF C=C[C@]1(C=O)C[C@H](OC(=O)[C@H](C)CC)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)C 2356425101 FOBYLSACEYVQOU-DVNZKFBFSA-N 346.423 3.009 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(/C)[C@@H](O)CC/C(C)=C/CC[C@]2(C)O 101721401 ASSMVNDLURCOIV-CMABJPKZSA-N 334.456 3.443 30 1 EGEF COC(=O)c1cc(Nc2snc(O)c2C#N)cc(C(F)(F)F)c1 28707447 OLUZBOIXUZFEPQ-UHFFFAOYSA-N 343.286 3.269 30 1 EGEF O=c1cc(N2CCOCC2)oc2cc(C#Cc3ccccc3)ccc12 26729932 INSPUQMNGZSNFZ-UHFFFAOYSA-N 331.371 3.029 30 1 EGEF in-vivo C[C@]1(CO)CCC[C@]2(C)[C@@H]1C[C@H](O)[C@@]13C=C(CC=O)[C@@H](CC[C@@H]21)C3 2356682696 QIILVVQSUDKWRM-HNWQHMRLSA-N 332.484 3.488 30 1 EGEF CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H](CO)[C@@]2(C)CCC1=CCOC1=O 43153150 TUKIEDUNYYIEJB-JQERWDHBSA-N 332.440 3.200 30 1 EGEF biogenic Cc1cnc(SC2=C(O)C[C@@H](c3ccccc3)CC2=O)nc1O 299831568 JNJKOHFJYLBHEK-GFCCVEGCSA-N 328.393 3.499 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnnc(O)c1Br 587902938 FYPAVLWOLLODMD-UHFFFAOYSA-N 339.576 3.007 30 1 EGEF CCN1C(=O)C(=O)c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 587907153 FRONRPRXWKGUDG-UHFFFAOYSA-N 339.778 3.298 30 1 EGEF CC(C)(C)CNCCc1c[nH]c2c1C(=O)C(c1cccnc1)=CC2=O 1911570914 VEOLSQVPTKSVQG-UHFFFAOYSA-N 337.423 3.051 30 1 EGEF O=C1Nc2ccccc2/C1=C1/Nc2cc(Br)ccc2C1=O 100374795 DELRXTMEZKHWMU-YPKPFQOOSA-N 341.164 3.421 30 1 EGEF C/C=C1/C(=O)C[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 28818576 QAKWWXLYSGFAQN-CGQGDFJRSA-N 330.468 3.406 30 1 EGEF CC(=O)C1=CC=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]12C 2356615335 AHHYSCJINWRGPT-RXKCZQJNSA-N 330.468 3.406 30 1 EGEF CC=C(C)C(=O)OC[C@]12CCC3=C(C)C(=O)O[C@H]3C=C(C)CC[C@@H]1O2 2356693704 NNJJZBWGTBSKOJ-ABSDTBQOSA-N 346.423 3.396 30 1 EGEF C[C@H]1S/C(=N/N=C/CCSc2ccc(Cl)cc2)NC1=O 64448929 INSBQXWPOAUXGT-NEFPKRPYSA-N 327.862 3.416 30 1 EGEF C[C@]12CC[C@H]3[C@@H](CC(=O)C4=C[C@@H](OC=O)CC[C@@]43C)[C@@H]1CCC2=O 211276510 XAVFJAHWRDOQEY-VLLQHRMFSA-N 330.424 3.239 30 1 EGEF O=C(C1CC(F)C1)N1CCc2nc(C#Cc3ccccc3)sc2C1 96272971 PWFVUMZSGRRASJ-UHFFFAOYSA-N 340.423 3.176 30 1 EGEF CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc(OC(C)C)cn2)cc1 142337729 NRWVFJAILGTLQF-MRXNPFEDSA-N 336.435 3.336 30 1 EGEF C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]3(O)C2)[C@@H]1O 238779996 OEPGCNCCBRXILY-GVOVPXKWSA-N 334.456 3.126 30 1 EGEF CN(C)CCCN1c2ccccc2CCc2ccc(C#CCO)cc21 653849272 HOMVSCBTHMQLRY-UHFFFAOYSA-N 334.463 3.219 30 1 EGEF COc1ccc([C@]2([C@@H](F)C#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 587383875 WXIVTDYTFUNXEG-HKUYNNGSSA-N 340.354 3.308 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc(C#N)c1N(C)C)O2 587381311 GUDXGDGWSFMAON-MRXNPFEDSA-N 339.370 3.361 30 1 EGEF C=C1CC[C@]2(O)C(=C)CO[C@@H]2C=C(C)CC[C@H]2O[C@H]1CC[C@]2(C)O 2356610101 DUEYDKGXQKDGHI-MDMHHNQBSA-N 334.456 3.048 30 1 EGEF C[C@@H](C#N)c1cccc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587187490 IBZCKOQPQXAMFX-JTQLQIEISA-N 327.365 3.104 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C[C@H](C(=O)O)CN2 587909512 YHXSGNJZNCXBME-HNNXBMFYSA-N 341.794 3.417 30 1 EGEF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC=CC=CC2=O 587605130 XNJUJESFTLCEMB-XLIONFOSSA-N 334.327 3.178 30 1 EGEF CC#CC[C@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963183010 IKPZCVTWYMFBOY-GHMZBOCLSA-N 331.721 3.412 30 1 EGEF CC1(C)[C@@H](CC#N)[C@H]1C[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962915173 UJIMFIKRBZCUIT-QRDCCXFBSA-N 330.403 3.216 30 1 EGEF C=C1C[C@H](C/C(C)=C/COc2ccc3ccc(=O)oc3c2O)OC1=O 15212355 WWTBMZAWBGEHRW-OIOXUXFSSA-N 342.347 3.086 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C/CC[C@@]3(CO)O[C@@H]3C[C@H]12 169299953 PRUIDJLINDRLON-NFSVEDROSA-N 332.440 3.461 30 1 EGEF COc1cc(/N=C/[C@@H]2C(=O)Nc3ccccc32)cc(OC)c1OC 169687487 KAEWHNFCFGAWDK-UZPSYVQNSA-N 326.352 3.151 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CNCCN(C)C)cc1 587905585 ARXAJYGSVIQKAW-UHFFFAOYSA-N 342.870 3.400 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc(C=O)c1 587904689 UNJQDQXQUJIGTN-UHFFFAOYSA-N 328.751 3.348 30 1 EGEF CCO[C@](C#CC1CC1)(c1cc(CC)c(C)[nH]c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c3nc(C#Cc4ccccc4)sc3C2)C1 96272973 JQQTVPFJENLABZ-UHFFFAOYSA-N 336.460 3.474 30 1 EGEF CO[C@@H](C)COC1CCC(c2nc3cc(C#N)c(C#N)cc3[nH]2)CC1 587952395 QCCSNQTVWZHPFN-FUJMWEONSA-N 338.411 3.384 30 1 EGEF O=C1C=C[C@H]2[C@H](c3ccc4c(c3)OCO4)C[C@@H]1N2Cc1ccccc1 13144730 ONQQYFYIKCBECT-BZSNNMDCSA-N 333.387 3.281 30 1 EGEF CNC(=O)/C(=N/OC)c1ccccc1COc1c(C)cc(C)cc1C 103193971 JSUQPZPJECQDDK-RELWKKBWSA-N 340.423 3.287 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C=C[C@@H]3O[C@]3(C)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356496377 HKIFVFPEXSTSFX-YNIGFRRXSA-N 344.407 3.026 30 1 EGEF O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)cc1 40564898 FSNQHYKYVSKWMM-CAOOACKPSA-N 345.384 3.171 30 1 EGEF O=C(/C=C(O)\C=C\c1ccc(O)cc1)C[C@@H](O)c1ccc(O)cc1 238765673 KCCQFTTZQGVDFQ-GJLOPNSQSA-N 326.348 3.246 30 1 EGEF C[C@]12CC[C@@H]3[C@H]([C@H](N4CC4)CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O 263591284 TVLJGVSJCIAMRD-GMSFPVLESA-N 329.484 3.173 30 3 EGEF O=Cc1occc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880194 GYDWWXFJRRBXMB-UHFFFAOYSA-N 336.174 3.109 30 1 EGEF N#Cc1nc(Cl)cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 586906283 ARDFETMAJZOOHO-QMMMGPOBSA-N 326.743 3.064 30 1 EGEF COCOc1cc(OC)ccc1C(=O)/C=C/c1ccc2c(c1)OCO2 13815166 RXJXFVXIDAILKB-XVNBXDOJSA-N 342.347 3.303 30 1 EGEF COc1cc(C[C@@H](O)C=CC(=O)CCc2ccccc2)ccc1O 2356429557 ZJLYJIBMHZUJKB-SFHVURJKSA-N 326.392 3.062 30 1 EGEF CC(C)C1=C2CC[C@](C)(OC(=O)[C@]3(C)O[C@H]3C)C(=O)C[C@]2(C)CC1=O 2356412220 KXDJJFRBSRHHLA-JLPLCBDJSA-N 348.439 3.150 30 1 EGEF C=CCNC(=O)[C@]12C[C@]1(CCCC)c1cc(Cl)ccc1NC2=O 101052137 NAJDLTVBVFOJIO-MSOLQXFVSA-N 332.831 3.412 30 1 EGEF N/C(=N\C(=O)c1ccc(Cl)cc1)NCCCCc1ccccc1 26846385 OMWCMLUPDMDENE-UHFFFAOYSA-N 329.831 3.407 30 1 EGEF CC(C)C[C@H](NC(=O)c1ccc2c(c1)-c1ccccc1-2)C(=O)NCC#N 82065342 UHBNTQAXIZWQPI-IBGZPJMESA-N 347.418 3.118 30 1 EGEF CC(C)CCOc1cccc(-c2cc([S@](C)=O)c(C#N)c(O)n2)c1 299856444 BYBQJGHUMXCMLD-DEOSSOPVSA-N 344.436 3.488 30 1 EGEF COC1=CC(=O)c2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587402325 BPCKSPWZMBMYJK-FQEVSTJZSA-N 335.359 3.165 30 1 EGEF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC#N 587385473 DDGMDSYIDSQAPS-KRWDZBQOSA-N 338.363 3.195 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc2c1O[C@@H](C)C(=O)N2 587911578 WDWHHTMJGAQJLK-NSHDSACASA-N 327.767 3.468 30 1 EGEF CC[C@H](S)[C@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962656668 BSKRMBZLWAFYTR-SNRMKQJTSA-N 344.480 3.257 30 1 EGEF Cc1ccc(N=Cc2c(O)nc(=O)n(-c3ccc(C)cc3)c2O)cc1 1779551433 LSVFAJQKZWFBSC-UHFFFAOYSA-N 335.363 3.011 30 1 EGEF C=C1C(=O)O[C@H]2CC(C)=CCCC(=C)[C@H]3CC[C@@](C)(O3)[C@H](O)C[C@@H]12 2356624581 HNHDPFYELJZTEZ-NMDDUFOESA-N 332.440 3.459 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)CC(C)C)[C@H]12 2356660492 HKCAIZMMUQCFMI-OQIJWPOYSA-N 348.439 3.089 30 1 EGEF C=C[C@]1(C)C[C@]2(OC[C@]3(C)O[C@@H]32)O[C@H]2c3c(C)cccc3OC(=O)[C@H]21 2356763189 AHICRLHMYLDOJO-BEUOHLRXSA-N 342.391 3.068 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356767133 QFINJHBXXJQKPB-XDNAFOTISA-N 346.423 3.010 30 1 EGEF CC(C)=CCC1=C2C=C[C@@](C)(O)CO[C@]2(O)c2ccccc2C1=O 139212288 BJLMWJSWPNCFMC-WOJBJXKFSA-N 326.392 3.018 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc([C@H]2CNCCO2)c1 587904878 BJBDBLMKANCCRA-LJQANCHMSA-N 327.811 3.409 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnn([C@H](C(=O)O)C(C)C)c1 587908681 ACAAXOORMQJWCG-INIZCTEOSA-N 332.787 3.227 30 1 EGEF COC(=O)c1cc2cc(C#Cc3cc(Cl)ccc3OC)cnc2[nH]1 587910147 LVTJRZGYKPDJHD-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF C=CCO[C@@H](CCCCCCC(=O)NO)C(=O)Nc1ccccc1 28956742 CYBXTSDCXMXSMK-INIZCTEOSA-N 334.416 3.042 30 1 EGEF CC(=O)O[C@@H]1CC[C@]23O[C@@H]2CC[C@H](C)[C@]3(C)C=C(C)[C@H]1OC(C)=O 2356765146 UPYMCEHJCPVDSR-DDVUFIMFSA-N 336.428 3.164 30 1 EGEF COc1cc(OC)c(C(=O)/C=C\Nc2ccccc2O)c(OC)c1 84733436 WCXGEUSBLCQWFL-HJWRWDBZSA-N 329.352 3.227 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C/C=C/[C@@](C)(O)CC[C@@H]3O[C@@]3(C)CC[C@@H]12 238743620 FTWOERARESUNOJ-IHJHIKJASA-N 332.440 3.459 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CO)c1 587882162 NGZOSRXTPKMDRF-UHFFFAOYSA-N 348.229 3.196 30 1 EGEF COC1=CC(=O)c2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587402326 BPCKSPWZMBMYJK-HXUWFJFHSA-N 335.359 3.165 30 1 EGEF COC(=O)c1n[nH]c2cccc(C#Cc3cc(Cl)ccc3OC)c12 587911148 LFLSNOGNPNPCHQ-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(Br)c(C#N)n1 587913585 XUGJNAQLVCMABF-UHFFFAOYSA-N 348.587 3.173 30 1 EGEF CCCN1[C@@H](C)Cc2ccccc2[C@]12C=C(OC)C(=O)C=C2OC 963229558 NTDCLRWOZALYSR-XOBRGWDASA-N 327.424 3.182 30 1 EGEF CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 2356320253 PUKLDDOGISCFCP-WARACUEISA-N 344.451 3.017 30 1 EGEF C=C1CCC2=C(C)CO[C@@H]2C=C(C)CC[C@H](O)[C@@](C)(O)CC[C@H]1O 2356523427 RAUBSCWQZYSZOV-ZRNYENFQSA-N 336.472 3.031 30 1 EGEF CC1=C(CO)CC[C@@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)OC[C@@H]3C 2356603682 LQJVEBISYQGVRQ-LXGOIASLSA-N 342.391 3.077 30 1 EGEF C=C1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1C[C@@H]3O 2356762567 GAOPBOSWKOSYEQ-HAZMFJHWSA-N 346.467 3.278 30 1 EGEF CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356787480 UYIDGSXWJICEAO-SVBHMRACSA-N 331.500 3.453 30 1 EGEF C=CCc1cc(CO)c(O)c(-c2cc(CO)c(O)c(CC=C)c2)c1 72116784 WEXWHZSQIXHZSB-UHFFFAOYSA-N 326.392 3.206 30 1 EGEF Cc1cccc(NC(=O)Cc2nc3cc(C#N)c(C#N)cc3[nH]2)c1C 587239778 XLHJMZKUSLVWED-UHFFFAOYSA-N 329.363 3.104 30 1 EGEF COC1=CC(=O)c2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443187 PGXQCNSRXMKYDP-QVKFZJNVSA-N 348.354 3.065 30 1 EGEF COc1ccc2c(c1)CCN(CCCC#Cc1ccccc1)C[C@@H]2O 1857570702 ARMFSRIEIRUWLQ-QFIPXVFZSA-N 335.447 3.419 30 1 EGEF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@H](C)O[C@@H](C)C4)[C@H]3C[C@@H]12 105364365 CNUKCRQWTYDAEH-WRZKIQSDSA-N 347.499 3.410 30 1 EGEF C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC 100191639 GKRMJALKMNRHGF-OKBBACTKSA-N 330.424 3.254 30 1 EGEF in-vitro C=C(C)[C@@H]1Oc2c(cc(C(C)=O)c(O)c2OC)[C@H]1OC(=O)C(C)=CC 2356597241 AEOPRIJRFYKAQT-JKSUJKDBSA-N 346.379 3.491 30 1 EGEF COc1cc2c(cc1OC)[C@@H]1C/C(=N\O)[C@H]3CCCC[C@@H]3N1CC2 38811250 CADPBCPVJBOUEG-XPCANHDZSA-N 330.428 3.396 30 1 EGEF CSc1ccc(Oc2ccc(/C(=N/O)n3ccnc3)cn2)cc1 72182678 UCAFTRXVARNSBL-MNDPQUGUSA-N 326.381 3.476 30 1 EGEF COc1cc2c(cc1OC)[C@@H]1C/C(=N\O)[C@H]3CCCC[C@H]3N1CC2 606576655 CADPBCPVJBOUEG-VEBOUJPXSA-N 330.428 3.396 30 1 EGEF CCOC(=O)c1c(C#Cc2cc(Cl)ccc2OC)c(C)nn1CC 587902243 BERLHWHZDMMURC-UHFFFAOYSA-N 346.814 3.450 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)C=C(C)C)[C@H](O)[C@H]12 2356431258 JJFSJHYLXOTBEF-OWYHZJEWSA-N 346.423 3.010 30 1 EGEF C=C1CC[C@H](C(C)C)C=C[C@](C)(O)CC(=O)C[C@](C)(O)CC[C@H]1O 2356595740 REFMWIIIPOFHJU-OJAHFUOMSA-N 338.488 3.157 30 1 EGEF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@H]21)[C@@]1(CO1)C3 2356825877 HURSLIFUDKOZCY-UDNGYKLISA-N 348.439 3.174 30 1 EGEF COc1ccc(C=NCC(OC)OC)cc1OCc1ccccc1 2356837368 LJOPWJLGPXUYFM-UHFFFAOYSA-N 329.396 3.312 30 1 EGEF COc1ccc(OC2=C(Cl)C(=O)c3ccccc3C2=O)c(N)c1 221815117 QUUYOAPCNKBZCU-UHFFFAOYSA-N 329.739 3.186 30 1 EGEF CC1=CC(=O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 238775620 DABKBROIQWDDSC-ZGXWSNOMSA-N 332.440 3.277 30 1 EGEF C=CCOCC(=C)C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587875276 QLQPCQFSYMKZFR-UHFFFAOYSA-N 338.234 3.414 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C#N)c1nc3ccccc3[nH]1)O2 587397083 RUOJDHHDXRFERD-XCLFUZPHSA-N 346.390 3.485 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CNCCO2)cc1 587906713 PLYZHSZYLMIPEP-LJQANCHMSA-N 327.811 3.409 30 1 EGEF COC(=O)N1CC[C@](O)(C#Cc2cccc(C)c2)[C@@H]2CCCC[C@@H]21 169314747 KHTQLWFDNBGZGX-WSTZPKSXSA-N 327.424 3.109 30 1 EGEF C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@H]12 1857622906 ZDYFFPNLCUDFDB-QWSDNZPMSA-N 328.452 3.472 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)C(=O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 100780436 FKDIIXZIKCNXAT-CKPKRBSUSA-N 344.407 3.218 30 1 EGEF endogenous,in-man C/C(=N\N=C(/S)N1C[C@@H](C)O[C@H](C)C1)c1nccc2ccccc12 27983418 FOUVAPGMPIIRSJ-YQXKXBSMSA-N 342.468 3.354 30 1 EGEF CC(C)(C)c1nn(-c2cc(OCC#N)c(Cl)cc2Cl)c(=O)o1 49031831 IQWMUTFHGXREBR-UHFFFAOYSA-N 342.182 3.332 30 1 EGEF NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884387 KMWOMEYUAIDFTO-UHFFFAOYSA-N 347.245 3.163 30 1 EGEF NNC=NCc1ccc(OC(=O)Oc2ccc3ccccc3c2)cc1 1857588905 CLZUILRKJGVSGQ-UHFFFAOYSA-N 335.363 3.409 30 1 EGEF CC[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1)c1ccccc1 3823964 DHVGGTZGEINXLS-ZIRHULONSA-N 331.375 3.129 30 1 EGEF CC(=N)[C@@H](C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1 4013629 JTHSAOIOQHKUAK-GFCCVEGCSA-N 345.453 3.431 30 1 EGEF CC1=CCC[C@@](C)(O)[C@H]2CC[C@@](C)(O2)[C@H]2C(=O)C(=C(C)[C@@H]2O)CC1 2356527998 QRTUGLKKOAKYGZ-HPUSYDDDSA-N 334.456 3.072 30 1 EGEF CCOc1ccccc1CN/C(=N\O)c1cccnc1OCC(C)C 72184775 VRNBTFLIDPQHEG-UHFFFAOYSA-N 343.427 3.441 30 1 EGEF C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3C/C=C(/C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238788858 TXMPZNDZQFKJQU-YEYAPHBESA-N 346.423 3.250 30 1 EGEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(\C)CC[C@@H]2O 169290469 OASCGMGKXPPAEW-PVIOOJSUSA-N 334.456 3.443 30 1 EGEF Cc1[nH]c(=N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N 1857543296 DRQHRPOTAKQHEV-NSHDSACASA-N 338.798 3.352 30 1 EGEF O=C(CCCCCC1CCN(C(=O)Nc2ccccc2)CC1)NO 71318579 MHRTUHPMVLSDNT-UHFFFAOYSA-N 333.432 3.386 30 1 EGEF C#CCOc1ccc2c(c1)C(=O)c1c-2c(OCC#C)nc2ccccc12 71340874 NIRZFAPTVUITAW-UHFFFAOYSA-N 339.350 3.470 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnn2ccc(C(=O)O)cc12 587911800 RXPWGWCZRJUWED-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF O=C(/C=C/c1ccc(CNCCc2c[nH]c3ccccc23)cc1)NO 13528136 ZLUZDKXBTNQWOL-MDZDMXLPSA-N 335.407 3.019 30 1 EGEF CCCc1[nH]nc2c1[C@@H](c1ccc(O)cc1OCC)[C@@H](C#N)C(=N)O2 169691019 GEIBAYIOFZJPCA-DOMZBBRYSA-N 340.383 3.108 30 1 EGEF COC(=O)N1CCC2(CCN(Cc3ccc(C#N)cc3)CC2)CC1 3956210 MVVJWBNJBLIQCI-UHFFFAOYSA-N 327.428 3.003 30 1 EGEF CCCCOc1cc(O)c2c(c1)OC(C)(C)CC2=NCCCC(N)=O 2356307594 FQLWKXBKETXODV-UHFFFAOYSA-N 348.443 3.187 30 1 EGEF CCN1N=C(C)C[C@]1(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 28710513 FZWDZMUTZBPXFF-OAHLLOKOSA-N 338.333 3.376 30 1 EGEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C3=C(C)C=CC(=O)[C@]3(C)CC[C@H]21 2356537941 LYOAWHWPLHHFLL-GODCRWGESA-N 344.407 3.052 30 1 EGEF CC=C(C)C(=O)O[C@@]12C(=O)[C@@]3(C(=O)C(O)=C1C)[C@H](C)CC[C@@H]3C2(C)C 2356672265 CNSCLIJSQQBULZ-GGBMSEQBSA-N 346.423 3.291 30 1 EGEF C=C[C@]1(C)CC(=O)C2=C(CC[C@@H]3C(C)(C)OC(=O)CC[C@@]23C)[C@@H]1O 2356796510 NIMXJYFXUBSDPY-IXMYUCAJSA-N 332.440 3.341 30 1 EGEF C=CC[C@]1([C@H](C)Cc2ccc(O)c(OC)c2)C=C2OCOC2=CC1=O 13311458 UXNVRYGLQIBWDQ-ZUOKHONESA-N 342.391 3.497 30 1 EGEF biogenic C[C@@H]1CC[C@H](O)[C@@](C)(O)[C@@]1(C)CCc1ccc2c(c1)C(=O)C=CC2=O 13407914 NJQYJWPUYFYJJK-MZNUGIIHSA-N 342.435 3.103 30 1 EGEF biogenic CC1CCN(C[C@@H]2C(=O)O[C@@]34[C@H]2CC[C@H](C)[C@H]3CC[C@@]2(C)O[C@H]24)CC1 82052037 AHWYTPJLSKLEDB-PUGGLORVSA-N 347.499 3.244 30 1 EGEF CC1=C[C@]2(O)C(=O)[C@@H](C)CCC(C)(C)[C@H]3CC[C@@](C)(/C=C\2C1=O)O3 144506058 DIFCOVWODQVBLT-TWKXZYAUSA-N 332.440 3.136 30 1 EGEF CC(=O)Nc1ccc(CN2C[C@H]3COc4ccc(C#N)cc4[C@H]3C2)cc1 253635044 BIMVUZQTSDREEH-PXNSSMCTSA-N 347.418 3.125 30 1 EGEF CON=CCCC(F)(F)c1ccc([C@H](C)[S@@](C)(=O)=NC#N)cn1 472781061 ZEFPWRSXVTWVRD-BSNNYGBQSA-N 344.387 3.226 30 1 EGEF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ncc1O 587889059 FCAMYIDHALRQCA-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF C[C@@H](O)c1ncc(-c2nc3cc(C#N)cc(Br)c3[nH]2)s1 587021673 JZSXCAYMHDZOKT-ZCFIWIBFSA-N 349.213 3.374 30 1 EGEF O=C(N[C@@H](CCCCCS)C(=O)NC1CCCC1)c1ccccc1 14969999 IKSCZYXAUUPGHW-KRWDZBQOSA-N 348.512 3.334 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C/CC/C(C)=C/[C@H](O)C[C@H]2C 17025379 GQTPRLWQZDUWKJ-LVOSMOPHSA-N 334.456 3.299 30 1 EGEF N#C[C@@H]1C(=N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1Cl)OCO2 169688949 WLXZIAVVENIFQW-BJOHPYRUSA-N 344.754 3.307 30 1 EGEF COc1cccc(-c2nc3ccc(/N=C(\O)c4ccccn4)cn3n2)c1 74387281 CXZWMRTVLIKNPM-UHFFFAOYSA-N 345.362 3.436 30 1 EGEF N#CC1(C#N)[C@@H](c2ccccc2)O[C@]23CCCC[C@@H]2[C@]1(C#N)C(=N)O3 143812022 WZLSMMJVGMRTON-RGCFKVTRSA-N 332.363 3.195 30 1 EGEF CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cnn(CC)c1)CC2=O 587474427 DTRRATACAAXXAH-LJQANCHMSA-N 339.395 3.335 30 1 EGEF N#Cc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1C(F)(F)F 587268188 NKXNTVTUCSKDLG-UHFFFAOYSA-N 348.244 3.006 30 1 EGEF Cc1ccc([C@]2(COC(=O)CC(C)C)CO2)c(OC(=O)C(C)C)c1 15169440 QVGMYLIEMRLBGN-IBGZPJMESA-N 334.412 3.371 30 1 EGEF endogenous,in-man COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3n[nH]c(C)c32)cc1OC 19134826 DZUOZRNZAZAJFL-KRWDZBQOSA-N 339.395 3.300 30 3 EGEF CCN1C(=O)[C@H](CC(=O)O)S/C1=N/c1cccc(Cl)c1Cl 104705568 WJJJBYXBMZWUBO-ZZYATGKOSA-N 347.223 3.420 30 1 EGEF C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@@]12C=C(C)[C@H](O)O2 2356769425 DPMMSWDFPUUAAQ-MISYRCLQSA-N 340.375 3.220 30 1 EGEF C=CCN1CC[C@]23CC(=O)C[C@@H](C)[C@H]2[C@H]1Cc1ccc(OC)cc13 40802686 VFXSXBAGAAWZPC-MSPZUWAUSA-N 325.452 3.365 30 1 EGEF CCCCCCCCC#Cc1cc2cn(COCCO)c(=O)nc2o1 43481798 NCCVHZLACWWWTK-UHFFFAOYSA-N 346.427 3.058 30 1 EGEF C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC/C2=C/CO 254096472 SBMHTRUNPKWTLU-GBUPKJRSSA-N 330.468 3.408 30 3 EGEF N#Cc1cccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)c1 621430372 RMGJDJNWOUAXOB-LJQANCHMSA-N 346.386 3.152 30 1 EGEF COc1ccc([C@H](O)[C@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 587936718 LRLAUQZBWYFGTM-BBATYDOGSA-N 332.363 3.152 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(-n2ncc(C#N)c2N)c1 587905067 JXIXXXXZFWXUKC-UHFFFAOYSA-N 348.793 3.388 30 1 EGEF Cc1[nH]nc2c1[C@@H](c1ccc(-c3ccccc3C#N)o1)[C@@H](C#N)C(=N)O2 169687478 BKWSGLOBLNSUMO-CXAGYDPISA-N 343.346 3.491 30 1 EGEF C=CC[C@]12CCCC(=O)[C@]1(O)O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 2356341101 GHWAOEFITBMWCE-RCUQFMMVSA-N 330.380 3.127 30 1 EGEF CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)C3CC3)cc2)cn1 113409675 OJDMZEGMKXBHMS-MRXNPFEDSA-N 348.446 3.337 30 1 EGEF N#Cc1cccc2nc(C(F)(Br)Br)[nH]c12 587087337 OQTJDDMVJPGDOU-UHFFFAOYSA-N 332.958 3.304 30 1 EGEF C=CCc1cc(OC)c(O)c([C@H]2NCCc3nc4ccccn4c32)c1 962981855 GAUGCHCRLNMSKP-GOSISDBHSA-N 335.407 3.012 30 1 EGEF O=C1C([N+](=O)[O-])=CC=C/C1=C\NN=C1c2ccccc2-c2ccccc21 13124338 YUWBMRSFHCIYQB-OUKQBFOZSA-N 343.342 3.192 30 3 EGEF CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 13825056 IUNGTAONURCOTE-OAQYLSRUSA-N 327.468 3.417 30 1 EGEF COc1ccc(N/N=C(\CN=O)C(=O)c2ccc(OC)cc2)cc1 169690417 WJSJUXFYKBOTMY-CAPFRKAQSA-N 327.340 3.121 30 1 EGEF Cc1cc(C)nc(/N=C(\N)NCC(c2ccccc2)c2ccccc2)n1 28379109 JGVZWWOBZZABEG-UHFFFAOYSA-N 345.450 3.461 30 1 EGEF C[C@H](C=O)CNc1nccc(-c2nccc3c2[nH]c2ccccc23)n1 2356793344 KJCSZFIDTPORIE-LBPRGKRZSA-N 331.379 3.420 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(C)\C=C/[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 238738467 HKIFVFPEXSTSFX-AFBSVUMTSA-N 344.407 3.026 30 1 EGEF CC(C)=CC(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)C(=O)C=C[C@@]3(C)CC[C@H]21 238742144 IHOIORAREAUOQJ-HSGBFHSBSA-N 344.407 3.052 30 1 EGEF CC(C)(C)N/C(=N/Cc1nc(Cl)cnc1N)Nc1ccccc1 473156139 SOTNRLJIAPXVFW-UHFFFAOYSA-N 332.839 3.068 30 1 EGEF C#CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587402309 XBHIKNMSJAANAE-SFHVURJKSA-N 337.375 3.304 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12 15058941 QFINJHBXXJQKPB-VJEFEDMNSA-N 346.423 3.010 30 1 EGEF endogenous,in-man C=C1C(=O)OC[C@H]1[C@H](O)c1cn(CC2CC2)c2ccc(Cl)cc12 1857549121 ZMZSASRGAKDEIN-NVXWUHKLSA-N 331.799 3.467 30 1 EGEF C[C@H]1N=C[C@]23C[C@H](O)[C@H]4[C@@H](CCC5=CC(=O)C=C[C@@]54C)[C@@H]2CC[C@@H]13 2356545345 IRJULQGCGHNQDS-XZRLAIBUSA-N 325.452 3.334 30 1 EGEF CCOc1ccc(Oc2cc(/C(=N/O)NCCSC)ccn2)cc1 72102365 VAIGZKZNMPEXBS-UHFFFAOYSA-N 347.440 3.361 30 1 EGEF N#Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 34029504 XWCWKHBTXAFSRD-UHFFFAOYSA-N 344.374 3.101 30 1 EGEF O=C1C=C[C@@]2(C=C1Cl)OC[C@@H](c1ccc(-c3cncnc3)cc1)O2 96916759 ZFCLPKHVXXCMAR-ZWKOTPCHSA-N 340.766 3.189 30 1 EGEF N#Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587584797 APHDBEYKLIPHDG-YLJYHZDGSA-N 344.326 3.362 30 1 EGEF CC(C)[C@H]1CC(=O)C2=CC3=C(CO)C(=O)C(O)=C[C@@]3(C)CC[C@@]21C 169309055 ZMQGQTKRCUHYLP-SMHULIPUSA-N 330.424 3.278 30 1 EGEF C=C1CCC=C(C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@H]1O2 253677913 HNHDPFYELJZTEZ-PKRADWSKSA-N 332.440 3.459 30 1 EGEF C=C1C(=O)O[C@H]2[C@H]1CC=C(CO)CCC=C(C)CCC=C(C)[C@H]2O 2356394847 IAWHPIHHKZYGDC-OTWHNJEPSA-N 332.440 3.221 30 1 EGEF C=C[C@](C)(O)CC=C[C@]1(C)CC[C@H]([C@@](C)(O)CC(=O)C=C(C)C)O1 2356578827 HYSXHSFJFJWWOB-WCIQWLHISA-N 336.472 3.484 30 1 EGEF CC=C1C(=O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]12C 2356613642 SNBODTQYFCSFKC-TXJLTDDLSA-N 332.484 3.486 30 1 EGEF C=C1C[C@]23COC(=O)C2=CCC[C@@H]3C[C@@]12C[C@@H](c1ccoc1)OC2=O 2356737110 VKZZVTSIYSLAJA-HIBPSGHXSA-N 340.375 3.484 30 1 EGEF Cc1cccc(NC(=O)CN2CCC(c3cccc(C#N)n3)CC2)c1 35075416 DVXATEVHXAIZBB-UHFFFAOYSA-N 334.423 3.080 30 1 EGEF CC(C)=CC[C@@]12OC(C)(C)[C@H]3C[C@H](C=C4C(=O)C[C@H](C)O[C@@]431)C2=O 195411598 REMHECGSDXLQKX-QSYYXBDASA-N 330.424 3.152 30 1 EGEF C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@H](C)CC)=C\C[C@H]12 195120187 VQRWOFINNQGFFG-HHMIGXJTSA-N 348.439 3.093 30 1 EGEF CC(C)(C)C(=O)N[C@H](C(=O)NO)c1ccc(-c2ccccc2)cc1 653805839 RVBYRZDEPARTBT-INIZCTEOSA-N 326.396 3.062 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cncc(C2(C(=O)O)CC2)c1 587907827 GZDHVQOKUSAFPM-UHFFFAOYSA-N 327.767 3.260 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(-c2cc(=N)[nH]cn2)o1 587912645 UHHPIXNGQAXLSP-UHFFFAOYSA-N 325.755 3.211 30 1 EGEF Cc1cc(Cl)ccc1C#Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1 587067245 PPZITECIMJSDDF-UHFFFAOYSA-N 344.823 3.328 30 1 EGEF C=CCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991398 KAHHWMNZLVZLDF-UHFFFAOYSA-N 345.354 3.424 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(F)cc1-c1nn[nH]n1 587916816 RVBYQRVQJKGUMN-UHFFFAOYSA-N 328.734 3.068 30 1 EGEF O=C(C[C@@H](Cc1ccccc1)C(=O)O)[C@@H](S)Cc1ccccc1 1772638673 WKEKGURBGWIHET-AEFFLSMTSA-N 328.433 3.430 30 1 EGEF Cc1cnc(Nc2cccc(C#N)c2)nc1-c1cnn2ncccc12 1857585029 BYWZQYNAXBZYFR-UHFFFAOYSA-N 327.351 3.110 30 1 EGEF COc1cc([C@H]2O[C@@H]2C(=O)c2cc(C)cs2)cc(OC)c1OC 1857584027 YFPYJMYDMUNFOO-NVXWUHKLSA-N 334.393 3.405 30 1 EGEF CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 8860632 WQOWZUHSEZTROA-LJQANCHMSA-N 342.347 3.262 30 3 EGEF CC(=O)OC/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 103275469 KSCYMHLRSJZRDJ-LFIBNONCSA-N 325.320 3.424 30 1 EGEF C[C@H](O)CC1=C(O)C2=CC(=O)[C@@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O 2356683245 MRGKYYLMJXRUKL-KIPFWBAZSA-N 346.423 3.306 30 1 EGEF N#Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587588752 RYMVDVOIDRFYNR-XLIONFOSSA-N 344.326 3.362 30 1 EGEF CS(=O)(=O)c1ccc2nc(CSc3ccccc3C#N)[nH]c2c1 586965461 XSGBYJSUIOGHDH-UHFFFAOYSA-N 343.433 3.130 30 1 EGEF Cc1ccncc1C1=C(c2ccc(S(C)(=O)=O)cc2)CCC1=O 13796666 KAMSHHHKVKJGLB-UHFFFAOYSA-N 327.405 3.067 30 1 EGEF CN(C)CC#CCCC(=O)[C@](O)(c1ccccc1)C1CCCCC1 13825071 KYQMZEFXBXGHDQ-NRFANRHFSA-N 327.468 3.369 30 1 EGEF CC1(C)Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2C[C@H]1O 14557858 FLBNWTQYELEITH-QKYXPGDISA-N 340.375 3.068 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)C(=O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12 100780438 FKDIIXZIKCNXAT-OLUWTDHWSA-N 344.407 3.218 30 1 EGEF endogenous,in-man C[C@@H]1CC(=O)NN=C1c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 103173734 CHFBBOLFFUBUJU-ZGXHQARYSA-N 336.351 3.206 30 1 EGEF CCN1CCC[C@@H](c2cccc(S(=O)(=O)OC(F)(F)F)c2)C1 26837640 SESJGPYJIIXZFS-GFCCVEGCSA-N 337.363 3.111 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC[C@]3(COC(=O)CC(C)C)O[C@@H]3C[C@@H]12 2356415878 ZWFGMQUUOJJSIV-TVKQPGBESA-N 348.439 3.331 30 1 EGEF C#CCN(C)C[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 26189171 GYKOCARBZNTGAO-QFIPXVFZSA-N 346.430 3.412 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(CO)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356628975 NMFLQFIFJRTHHO-FGTMMUONSA-N 346.423 3.011 30 1 EGEF N#Cc1ccc(-c2nc(NCC3CC3)ncc2C(=O)N2CCCC2)cc1 82158579 RTQVWGLRALJFHD-UHFFFAOYSA-N 347.422 3.073 30 1 EGEF COc1ccc(CCC(=O)/C=C/c2ccc(O)c(O)c2)c(OC)c1 96906495 VAGONYSOWRSQFA-XVNBXDOJSA-N 328.364 3.330 30 1 EGEF N#Cc1ccc(C2=C(c3ccccc3)C3(C=CC(=O)C=C3)OC2=O)cc1 299819304 ATECOMRRYIPMPF-UHFFFAOYSA-N 339.350 3.460 30 1 EGEF CCOC(=O)[C@H](C#N)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587506950 PDLPBWPPGUJNLY-OXJNMPFZSA-N 341.407 3.382 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)/C=C/N(C)C)n1 587910904 YCPDWNZTOZLPNQ-VAWYXSNFSA-N 340.810 3.401 30 1 EGEF CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1=[N+](C)[O-] 169720120 QICWAISYJVZZOZ-UHFFFAOYSA-N 337.375 3.003 30 1 EGEF N#C[C@H](c1nc2ccccc2s1)c1ncnc(Cl)c1[N+](=O)[O-] 1861463 XGRXYXAJEJDAKE-ZETCQYMHSA-N 331.744 3.303 30 1 EGEF COC(=O)/C(O)=C/C(=O)c1ccc(OC)c(OCc2ccccc2)c1 102165394 FLHLMUNNWCXBKV-WJDWOHSUSA-N 342.347 3.072 30 1 EGEF Cc1ccc([C@H](C)/N=c2\c(O)c(O)\c2=N/c2ccc(C#N)cc2)cc1 28224441 QBPWIAPEJAKHAC-ILBOUDILSA-N 331.375 3.048 30 1 EGEF O=[N+]([O-])c1ccccc1/C=N/NC(=S)Nc1ncc(C2CCC2)o1 38266917 GFASLKJDVVPNFK-CAOOACKPSA-N 345.384 3.171 30 1 EGEF CCOc1ccccc1-c1c(C#N)c(N)nc2sc(C#N)c(N)c12 95595259 YVIGASICJXGSNX-UHFFFAOYSA-N 335.392 3.270 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(CO)cc(OC)c1OC 587900648 SFCCJLWAIASVGQ-UHFFFAOYSA-N 332.783 3.258 30 1 EGEF C/C(=N\OCCCCC(=O)O)[C@H](Cc1ccccc1)n1ccnc1 13738903 BCYFFYZXYAKMJO-AWZALFRUSA-N 329.400 3.314 30 1 EGEF COc1ccc(/C=C2/Oc3cc(O)c(C)c(OC)c3C2=O)cc1O 59775184 IEOVAYFLORPJRQ-VIZOYTHASA-N 328.320 3.040 30 1 EGEF O=C1C=CC(Br)=C/C1=C1\C=C(c2ccccc2Cl)NN1 104025692 DCBTYOIWSCIJRV-KAMYIIQDSA-N 349.615 3.461 30 3 EGEF N/C(Cc1c[nH]c2ccc(O)cc12)=N\CCc1c[nH]c2ccc(O)cc12 27523921 CZEQZLUEZALYQG-UHFFFAOYSA-N 348.406 3.203 30 1 EGEF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@H]3CC[C@]12C 2356556417 AEURCGYCQQYILP-HMGBVJPOSA-N 332.440 3.175 30 1 EGEF CO[C@@H]1CO[C@]2(O)C(=O)C3=C(CCCC3(C)C)c3ccc(C)c1c32 2356717258 LOILOFQMQHVTFF-VLIAUNLRSA-N 328.408 3.404 30 1 EGEF CC1=C(CO)CC[C@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)OC[C@@H]3C 238784416 LQJVEBISYQGVRQ-GWNMQOMSSA-N 342.391 3.077 30 1 EGEF COc1ccc(/C=N/N2C[C@H](C)O[C@@H](C)C2)cc1OC1CCCC1 299830989 NDQMTNKRDQKQQZ-IVTDNZOPSA-N 332.444 3.460 30 1 EGEF COCCOc1ccc(-c2nc3cccc(C#N)c3[nH]2)cc1[N+](=O)[O-] 587264181 CGTQORGPSAJZMM-UHFFFAOYSA-N 338.323 3.035 30 1 EGEF CCOC(=O)C[C@]1(CS)CC(=O)c2ccc3c(c2O1)CCCC3 587531606 HXHGKLQHCKIDGI-SFHVURJKSA-N 334.437 3.152 30 1 EGEF C[C@H](C#N)Cn1nc(-c2ccc(OCc3ccccc3)cc2)oc1=O 13826733 IUNFSYRDVZXWBA-CQSZACIVSA-N 335.363 3.242 30 1 EGEF CC1(C)Cc2c(nn(-c3ccccc3C(F)(F)F)c(=N)c2C#N)CO1 169730334 OAPMOPZECLVTMF-UHFFFAOYSA-N 348.328 3.094 30 1 EGEF Cc1cc(=O)c(O)c([C@H](O)c2ccc(C#Cc3ccccc3)cc2)o1 1857653833 DAPXLAQYQXLSBY-LJQANCHMSA-N 332.355 3.135 30 1 EGEF C[C@@H]1CC=C2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@@]2(C)O 137458968 UTBSUBYHIWUOSH-YNYNKCMBSA-N 334.456 3.168 30 1 EGEF C=C[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255278179 WVWYCSZBBCXDNM-AROZLTDUSA-N 332.484 3.486 30 1 EGEF N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cc[nH]n2)cc1 653914386 RYXAKKDZEIAQQH-MDZDMXLPSA-N 339.358 3.151 30 1 EGEF COc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc(OC)c1OC 5732538 AGTQJIQVSWUWEJ-GQCTYLIASA-N 333.296 3.110 30 1 EGEF C=C(C)[C@H](O)Cc1c(O)ccc(C(=O)C=Cc2ccc(O)cc2)c1O 2356504879 INVPDHNCDPICSJ-LJQANCHMSA-N 340.375 3.179 30 1 EGEF O=C(/C=C/c1ccc(CN2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1)NO 96906713 WXIBYEAYPPMHRD-USJFIMNISA-N 326.440 3.216 30 1 EGEF COC(=O)C(=O)c1ccccc1C#Cc1cc(Cl)ccc1OC 587901821 VGTIOBYCXBVJLW-UHFFFAOYSA-N 328.751 3.104 30 1 EGEF CO[C@@H]1C=C[C@]23O[C@@H]2C[C@@H]2CCCc4cc5c(cc4[C@]23C1)OCO5 2356356951 FHKVPQGVMJYBPM-YQZTXLELSA-N 326.392 3.122 30 1 EGEF CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101270510 AXKPRXFZRFZHFB-HROGELHOSA-N 339.479 3.273 30 1 EGEF C=C(C)[C@@H]1Oc2ccc(C(C)=O)cc2[C@H]1OC(=O)C[C@](C)(O)CC 2356649291 HUHWAEWCMOXKEF-IPMKNSEASA-N 332.396 3.362 30 1 EGEF Cc1ccc(/C=N/N=C2\C(=O)N(c3ccncc3)c3ccccc32)o1 34020540 WQGDNKJWPHVPAZ-DFLYITSRSA-N 330.347 3.485 30 1 EGEF CC(C)[C@]1(O)C=C2C(=O)[C@H]3OC(=O)[C@@]4(C)CCC[C@](C)([C@H]2CC1)[C@@H]34 85887780 UGRRLQKVGXWATD-UYGWLRSGSA-N 332.440 3.031 30 1 EGEF N/C(=N\O)c1cccc(-c2cccc(-c3cccc(/C(N)=N\O)c3)c2)c1 96908124 ZMOCBTRWOBBASL-UHFFFAOYSA-N 346.390 3.210 30 1 EGEF COc1cc2c3c(c1)O[C@H](c1c(F)cc(C#N)cc1F)[C@@H](C2)C3=O 587424654 QZNXVBHVLNKWKZ-VOJFVSQTSA-N 327.286 3.334 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(C(F)(F)F)N1 587706987 RQCGODQAORUICB-UPONEAKYSA-N 340.114 3.079 30 1 EGEF CC1=C(C)C2=CC(=O)[C@@]34O[C@@]3(C(=O)c3oc(C)cc3C4=O)[C@@]2(C)CC1 1857635186 VLIPDHWCMPMFJA-UFYCRDLUSA-N 338.359 3.120 30 1 EGEF COCOc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OCOC)c1 6483087 YINAAZRIIMRSGH-CMDGGOBGSA-N 344.363 3.254 30 3 EGEF CC(C)C[C@H](C(=O)NCC#N)c1csc(Nc2ccncc2)n1 59701988 OMEPTNAQJBGJGI-ZDUSSCGKSA-N 329.429 3.051 30 1 EGEF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@@H]4CCCO4)[C@H]3C[C@H]12 82052984 UTNWYJWSHFDEHP-UMCYSPNLSA-N 333.472 3.069 30 1 EGEF CO/N=C(\C)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1 96170306 MKFXSOFHDQGJHJ-YDZHTSKRSA-N 331.379 3.239 30 1 EGEF N#Cc1c(-c2ccc(N3CCOCC3)cc2)[nH]c2c(C(=O)O)cccc12 587639323 RKOGHTHATZAXMI-UHFFFAOYSA-N 347.374 3.241 30 1 EGEF C[C@]12CC[C@H](C3CCCCC3)C[C@@]1(O)CC[C@@H]2/C=C/C=N/N=C(N)N 13471901 ZYMDIJBNJDVQMB-IXVSHCCUSA-N 346.519 3.330 30 1 EGEF C=CC[C@@]12C=C(OC)C(=O)[C@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@@H]2C 102806448 KPAMAOKNEWVTGG-MYEBOKNISA-N 326.392 3.289 30 1 EGEF COc1ccc(/C=C/C(=O)CCC(=O)N2CCCCC2)cc1OC 64560308 PPMHQBISMUKOLP-SOFGYWHQSA-N 331.412 3.079 30 1 EGEF N#Cc1c(N)nc(Sc2ccccc2N)c(C#N)c1-c1ccco1 35143735 PLHGMZKWGASCHX-UHFFFAOYSA-N 333.376 3.401 30 1 EGEF C[C@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4CC=O)[C@@H](O)C[C@@H]12 238772085 QIILVVQSUDKWRM-REMRUUEWSA-N 332.484 3.488 30 1 EGEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)/C(C)=C/C/C=C(/C)CC[C@H]2O 238786545 OASCGMGKXPPAEW-XBYZWOHXSA-N 334.456 3.443 30 1 EGEF N#CCCCn1cnc(N)c2nc(Sc3ccccc3Cl)nc1-2 299870987 XJWUPFZMVZFAIP-UHFFFAOYSA-N 344.831 3.468 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C#CC(C)(C)O)s1)O2 587408362 BBPBAZFZMPMLEP-MRXNPFEDSA-N 341.432 3.468 30 1 EGEF N#Cc1c(N2CC[C@H](O)C2)c2ccccc2n2c1nc1ccccc12 5543722 HNGVRYQZCVGLNG-ZDUSSCGKSA-N 328.375 3.083 30 1 EGEF C/C=C1/C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 153528226 SNBODTQYFCSFKC-UDHUVYIBSA-N 332.484 3.486 30 1 EGEF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)C[C@]34O[C@]3(C[C@@H]12)OC(=O)[C@H]4C 2356428252 CTNPFCZJXCPEDX-GKTUMWJSSA-N 348.439 3.369 30 1 EGEF CC(C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O 45300998 KWJAQXRPDQZLPW-UHFFFAOYSA-N 330.380 3.493 30 1 EGEF CCCc1c(O)ccc2c1O[C@]1(CCCC(=O)/C1=C/N(C)C)CC2=O 587470296 RSGOGSZVVSMGIC-NLBZTSMMSA-N 343.423 3.247 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)cn2)N1 587773614 RATOMJGOHLQFRB-ABKXIKBNSA-N 346.203 3.478 30 1 EGEF CCCCCCCCCNC(=O)[C@@H]1C(=O)N(O)C(=O)c2ccccc21 200451519 QVHZSCOUZNEGGH-MRXNPFEDSA-N 346.427 3.009 30 1 EGEF CCOc1ccc(-c2nc(C#N)nc3c2ncn3C)cc1C(F)(F)F 1772603319 NNXDFWFKRJTCJX-UHFFFAOYSA-N 347.300 3.319 30 1 EGEF CC(=O)O/N=C1/C(c2c(O)[nH]c3cc(F)ccc23)=Nc2ccccc21 13559466 XRZXMCNNZTURIR-CJLVFECKSA-N 337.310 3.414 30 1 EGEF CC1=[N+](C)N(c2ccccc2)C(=O)[C@H]1/N=C/c1ccc(Cl)cc1 17995937 IOVRIZRQYZFDPK-RONKMWSCSA-N 326.807 3.193 30 3 EGEF CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O 169373431 LRKPGEPWOYCDIU-PNXBWMGDSA-N 346.467 3.293 30 1 EGEF Cc1ccc(S(=O)(=O)N2C=CC(=O)C[C@@H]2c2cccs2)cc1 206062298 UIMIDMJDENIRAH-OAHLLOKOSA-N 333.434 3.275 30 3 EGEF CC(C)C1=NN[C@@](C)(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 28710434 KUIHXXRYHIPZIB-OAHLLOKOSA-N 338.333 3.280 30 1 EGEF Cc1cc([N+](=O)[O-])ccc1/N=C(\N)Nc1ccc([N+](=O)[O-])cc1C 26490794 OSVKXQGLLABWSK-UHFFFAOYSA-N 329.316 3.178 30 1 EGEF COc1cc2c3c(c1O)[C@H]([C@@H]1C=CC(=O)CC1)CC[C@@H]3N(C)CC2 2356629765 PNAHATNOKIMNGE-KCXAZCMYSA-N 327.424 3.343 30 1 EGEF C=C1C[C@H](O)[C@@H]2C(C)=C(O)C(=O)C[C@]2(C)[C@H]1CCC(C)=CC(=O)O 2356837817 LNJOHJISIGCYCQ-AGGDQXJMSA-N 334.412 3.162 30 1 EGEF Cc1cn(/C(=N\O)c2ccc(C)nc2OCc2cccc(F)c2)cn1 72186464 LMCJAJVAGOHDKS-XLNRJJMWSA-N 340.358 3.297 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(F)n1 587896371 ROWBQJBGBDGNGV-UHFFFAOYSA-N 337.181 3.238 30 1 EGEF COc1cc2c(cc1OC)C(=O)/C(=C/[C@@H]1C[N@@]1Cc1ccccc1)C2 1857628740 UQDADZYITBDQEY-QWIVHCALSA-N 335.403 3.253 30 1 EGEF COc1ccc(-c2nc3ccccc3c(=S)n2OC(C)=O)cc1 1650169 UAZKMQGIPVQUOG-UHFFFAOYSA-N 326.377 3.416 30 1 EGEF C=CCN1C(=O)C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 6482722 XEYVVHPJJHRUPE-IKVWTGGYSA-N 339.435 3.399 30 1 EGEF C=CCNC(=O)c1onc(CSc2ccccc2CC)c1C(=O)O 8672365 WUCGNNBHOJATDT-UHFFFAOYSA-N 346.408 3.143 30 3 EGEF COc1cccc(-c2nc3ccc(/N=C(\O)c4cccnc4)cn3n2)c1 74387230 FBIHUGBGMZPLCB-UHFFFAOYSA-N 345.362 3.436 30 1 EGEF CC(=O)NC(C)(C)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1 142369869 ROLSRSCQSMGPFR-UHFFFAOYSA-N 349.434 3.179 30 1 EGEF CC(=O)O[C@@H]1[C@H](OC(C)=O)C(C)=CC[C@@]12C(=C(C)C)C(=O)C[C@H]2C 238731647 KTPMGTIXJWEUNR-HAFFEQERSA-N 334.412 3.132 30 1 EGEF N#Cc1cc(Cl)c2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2c1 587961595 LXKJVTQKUNDOHC-UHFFFAOYSA-N 325.755 3.306 30 1 EGEF COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)c(C#N)c1)[C@@H](C2)C3=O 587426625 AKDAGWOROLEPRU-YWZLYKJASA-N 334.375 3.122 30 1 EGEF C=CCN1C(=O)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 6482849 XEYVVHPJJHRUPE-NYUBLWNDSA-N 339.435 3.399 30 1 EGEF CC(C)[C@@H]1C(=O)C=C2[C@H](CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]23C)[C@H]1O 2356440645 KEBKBAPPTYLIEM-DRLKFKEJSA-N 334.456 3.436 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H]3C=C(CO3)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356287497 KQMSJUFMXUJRPL-MLHJIOFPSA-N 344.407 3.028 30 1 EGEF C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccccc1 100703109 QHKUIFVXVNUYHH-KAECEXQPSA-N 339.351 3.098 30 1 EGEF CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccc(F)cc1 103176289 XJBWIVULEODWGD-MNOULKQQSA-N 344.386 3.200 30 1 EGEF CC(C)Oc1ccc(Oc2ncc(C#C[C@@H](C)NC(N)=O)s2)cc1 28953068 LRSCSGPYXXDPKF-GFCCVEGCSA-N 345.424 3.131 30 1 EGEF CC(C)C1=C[C@H](C=O)[C@@H]2C(=C1O)OC(=O)[C@@]21CCCC(C)(C)[C@H]1C=O 2356456538 IKFUOVBMEQRIIS-FNSSNTJLSA-N 346.423 3.352 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)CC(C)C)[C@@H]12 2356660494 HKCAIZMMUQCFMI-XGXHKWSGSA-N 348.439 3.089 30 1 EGEF C[C@H]1Cc2ccccc2C[N+]1(C)CC(=O)c1cccc([N+](=O)[O-])c1 36381193 KJPXXDPGGYIUGW-YXWRBFHGSA-N 325.388 3.369 30 1 EGEF CN(C)/C=C/C(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccccc1 49112044 XFPOPJXCVMKKLE-BUHFOSPRSA-N 345.402 3.361 30 1 EGEF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CC#N)c1)[C@@H](C2)C3=O 587428922 NMENGFQFUPCRSE-HRAATJIYSA-N 349.386 3.433 30 1 EGEF CCCNC(=O)c1cc(N)cc(C#Cc2cc(Cl)ccc2OC)c1 587904822 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EGEF CCOP(=O)(OCC)[C@]1(C#N)SC[C@H](CN(C)C)CS1 103272663 KPPZTNLCRZHZPL-HAQNSBGRSA-N 338.435 3.088 30 1 EGEF N#Cc1ccc2nc(CO[C@@H]3CN(C4CCCCC4)C[C@@H]3F)[nH]c2c1 2356302438 VLRVNSGZEHQTOX-MAUKXSAKSA-N 342.418 3.306 30 1 EGEF C=C(CC[C@H](C=C[C@](C)(O)CC(=O)OC)C(C)C)[C@H]1CCC(=O)O1 2356710481 FXGAQFNYCJXRIU-MDZRGWNJSA-N 338.444 3.171 30 1 EGEF Cn1cc(/C=C2\CCCc3ccccc3C2=O)cc1/C=C/C(=O)NO 40862485 UNTGEYXCBWKJOM-AKYRVGECSA-N 336.391 3.146 30 1 EGEF CCCCCC/C=C1/C[C@](CO)(COC(=O)c2ccccc2)OC1=O 42875759 KUDKUPBDUSGHCZ-PGNDWZGLSA-N 346.423 3.418 30 1 EGEF C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O 238750991 KNYGXNFGZONVKK-YPMIVSHASA-N 345.527 3.214 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(NS(C)(=O)=O)c(C)c1 587918611 ZBNRDIJXVUBSTA-UHFFFAOYSA-N 349.839 3.428 30 1 EGEF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)C2 15952943 OFHDIXDLAQMAOP-HBXLWWENSA-N 328.456 3.102 30 1 EGEF C=C[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356610211 WVWYCSZBBCXDNM-WBSZUPKKSA-N 332.484 3.486 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(cc1F)NC(=O)C2=O 587917070 ZFWKERLYJRELAU-UHFFFAOYSA-N 329.714 3.022 30 1 EGEF CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cnn(C)c1C)CC2=O 587475759 PAHGRFOIUQBDJM-LJQANCHMSA-N 339.395 3.161 30 1 EGEF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C#N)c2[nH]1 586962773 HMQOHUQYKRJJDH-LBPRGKRZSA-N 325.397 3.482 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)nc2)N1 587770945 LBMPJTWKSUSQQT-JDNHERCYSA-N 346.203 3.478 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cn(CCCC(=O)O)nc1C 587909212 MDNKGXRIVFDAQB-UHFFFAOYSA-N 332.787 3.118 30 1 EGEF CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1 14594212 PXCPYWFVMWHLIE-KXVBPSPBSA-N 346.423 3.442 30 1 EGEF C=C1CC[C@H]2CCC3=C(C2(C)C)[C@@](O)(CC(C)=C[C@H](O)C1)OC3=O 2356453078 NAXRGDYBDAKNAZ-BXTJHSDWSA-N 332.440 3.402 30 1 EGEF CC1=C2[C@@H](O)[C@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O 8682261 VZTKKBZCBOZPNT-VQUGOPFGSA-N 333.472 3.017 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2ncc(C(=O)O)n2c1 587912149 BQXVCMGSQNMEIG-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(C#N)c2)N1 587795463 XJPFSCFYWHNSRW-GLEZIHRCSA-N 334.192 3.412 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C#N)n2)N1 587775045 YHPHPSASGSTOAX-ABKXIKBNSA-N 346.203 3.478 30 1 EGEF O=C1CS/C(=N/Nc2nncc3ccccc23)N1c1ccccc1 1772657284 GSFCLBKGTQCVGV-HEHNFIMWSA-N 335.392 3.093 30 1 EGEF O=c1[nH]cccc1[C@](C#CC1CC1)(OCc1ccccn1)C(F)(F)F 5940632 HVSHQYWUWWRBQI-KRWDZBQOSA-N 348.324 3.158 30 1 EGEF CC1=NN(C)[C@@H]2[C@@H]1N/C(=N\c1c(C)cccc1Cl)c1cnc(C)n12 28385577 VVCCPVFLCHZEGL-WBVHZDCISA-N 342.834 3.023 30 1 EGEF COc1c(C)c(O)c(C(=O)C=C(O)c2ccccc2)c(O)c1C=O 2356425487 FYPNXPAVVGQFNL-UHFFFAOYSA-N 328.320 3.009 30 1 EGEF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)C[C@]34O[C@]3(C[C@H]12)OC(=O)[C@@H]4C 2356428253 CTNPFCZJXCPEDX-ZMLJJZBQSA-N 348.439 3.369 30 1 EGEF C=C1C[C@H](O)[C@@H]2C(C)=C(O)C(=O)C[C@@]2(C)[C@H]1CCC(C)=CC(=O)O 2356837819 LNJOHJISIGCYCQ-IPQUUHLSSA-N 334.412 3.162 30 1 EGEF N#Cc1ccc(Nc2ccc(=O)n(Nc3ccc(C#N)cc3)c2)cc1 72118584 LNECKTMXCFTFHC-UHFFFAOYSA-N 327.347 3.210 30 1 EGEF CCCCNCc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12 43132300 JBFQPMGBCKWKKO-BQYQJAHWSA-N 344.459 3.040 30 1 EGEF C=CC[C@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(OC)cc1)[C@@H]2C 195349602 KPAMAOKNEWVTGG-NHMRUBIDSA-N 326.392 3.289 30 1 EGEF CC(C)/C1=C/[C@@H](O)[C@@](C)(O)CC(=O)C[C@H](C)CC[C@H]2O[C@]2(C)CC1 238784698 KMGLSHJNTMTELI-MUCFCNGQSA-N 338.488 3.398 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c([N+](=O)[O-])cc1F 587914865 FQQYMAATRPHKCZ-UHFFFAOYSA-N 349.701 3.494 30 1 EGEF Cc1nc2[nH]c(COc3ccc(C#N)cc3)nc2cc1Br 587191212 RHZBKRITGBZTPP-UHFFFAOYSA-N 343.184 3.480 30 1 EGEF C=CCOc1ccc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963016008 BSJHCHKUKFMKDS-VFNWGFHPSA-N 334.419 3.394 30 1 EGEF N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2O)nc1N 13488158 MGUAVCWYRXKOGY-UHFFFAOYSA-N 332.319 3.483 30 1 EGEF COc1cc2c(c3c1CC[C@@](C)(CC(=O)C=C(C)C)O3)C(=O)OC2 14724206 AHSKHMCUHVNVRW-IBGZPJMESA-N 330.380 3.375 30 1 EGEF C=C[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 153254209 WVWYCSZBBCXDNM-LNNMCQGISA-N 332.484 3.486 30 1 EGEF COC1=CC(=O)/C(=C2/NOC(C)=C2c2ccc3ccccc3n2)C=C1 104012317 GQXZBNGCIDQWCB-HMMYKYKNSA-N 332.359 3.424 30 3 EGEF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](C)CC[C@@H]3O[C@]31[C@H]2O 2356550614 ICAKWODMRWJSPW-XYXFGVHASA-N 334.412 3.449 30 1 EGEF CC(C)c1csc(-c2nnc(S)n2/N=C/c2ccccc2O)n1 49089533 HQVNYZGNROEXPK-FRKPEAEDSA-N 345.453 3.402 30 1 EGEF C/C=C(/C)C(=O)O[C@H]1C[C@H](O)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]13C 238745137 NHVUXTQHFHSPJY-RSNZNGFXSA-N 332.440 3.053 30 1 EGEF C[C@H]1CC=C2C(=O)[C@@H]3O[C@@]3(C)CC[C@H]3O[C@]3(C)CC[C@@]1(C)[C@]2(C)O 238752005 UTBSUBYHIWUOSH-YRIHQGCGSA-N 334.456 3.168 30 1 EGEF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C#N 587574863 CKGVHUGVTAHKPB-XLIONFOSSA-N 346.342 3.305 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(S(C)(=O)=O)c(C#N)c1 587917646 PDODBAHBIDMWDL-UHFFFAOYSA-N 345.807 3.024 30 1 EGEF COc1ccc(-c2c(N)ncnc2C#Cc2ccc(N(C)C)cc2)cc1 28646506 CKWAJENHYCPCGG-UHFFFAOYSA-N 344.418 3.200 30 1 EGEF CCCCS(=O)(=O)Nc1ccc2c(c1)/C(=N/O)c1ccccc1-2 63539215 UICFBGNGAIMXNF-ISLYRVAYSA-N 330.409 3.435 30 1 EGEF Cc1cccc2oc(=O)c3c(c12)O[C@H](C)[C@@H]3CC(=O)[C@@H]1OC1(C)C 2356568752 FFVTXDZCGATRNF-RLFDGXBXSA-N 328.364 3.103 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)CC(C)=CCCC(C)=CCC[C@]1(C)O[C@H]21 2356588584 ARVXFCIVVWNIRM-LYYGHALDSA-N 332.440 3.459 30 1 EGEF C[C@]1(CO)CCC[C@]2(C)[C@@H]1C[C@H](O)[C@@]13C=C(CC=O)[C@@H](CC[C@H]21)C3 2356682695 QIILVVQSUDKWRM-BLLPDLTASA-N 332.484 3.488 30 1 EGEF C=C1[C@H](OC(=O)C(C)=CC)[C@H](O)[C@@H](C(C)C)[C@H]2C(=CC)C(=O)C[C@@H]12 2356744198 LEKWOAFHZQWGJG-HZZCBIDNSA-N 332.440 3.219 30 1 EGEF C=C[C@](C)(O)CC/C=C(\C)C[C@@H](/C=C(/C)COC(C)=O)OC(C)=O 238731512 LKKSWFJJHYAMNI-CDDOCZORSA-N 338.444 3.481 30 1 EGEF O=C(NO)C1(COc2ccc(-c3ccccc3)cc2)CCOCC1 299822738 DEYPNPMQDOUKNQ-UHFFFAOYSA-N 327.380 3.035 30 1 EGEF CC(C)C[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)NO 653782490 LSNONHDFECMSFP-NSHDSACASA-N 334.203 3.035 30 1 EGEF CC(=O)C(C)=COC(C)(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 2356363986 SKWHTELMVBBPHJ-QGZVFWFLSA-N 328.364 3.385 30 1 EGEF NC(N)=NC(=O)c1cc2c(-c3cc(F)ccc3F)cccc2s1 28524060 XDPYPKRFVBUQRR-UHFFFAOYSA-N 331.347 3.260 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@@H](OC(=O)C=C(C)C)[C@@H]12 2356624153 SSNIKFYEQNIUHF-BVBHFADKSA-N 346.423 3.010 30 1 EGEF CN1C(=O)[C@H](CN2CCCCC2)C[C@@H]1C#Cc1ccc2occc2c1 35839993 KNSUADXKFTZSIZ-OALUTQOASA-N 336.435 3.117 30 1 EGEF CCN1C=C[C@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@H]21 253809504 RQWFHOCWLIUNTF-XJKSGUPXSA-N 341.407 3.225 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)ccc1[N+](=O)[O-] 587900284 LUYGOGORWGSIPR-UHFFFAOYSA-N 331.711 3.355 30 1 EGEF CCCCCCCC(=O)O[C@H]1C[C@H]2C[C@@H](OC(C)=O)[C@@H](C1)N2C 169351166 GEBXVKMFYZIRIJ-MWDXBVQZSA-N 325.449 3.057 30 1 EGEF C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@]1(O)[C@H]1OC1(C)C 2356564616 VXYOXKDSQQPXPF-DFQSSKMNSA-N 342.391 3.095 30 1 EGEF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@H]([C@]3(C=O)O[C@@H]3CO)C[C@@H]12 2356623789 MBVODZZHGAGOPM-QMBFBYQJSA-N 336.472 3.105 30 1 EGEF COc1c(C(C)C)cc(O)c2c1[C@H](O)C[C@]13O[C@@]1(C)C(=O)CC[C@]23C 2356713715 QBHJRAARLLAAJD-NWTFUFRBSA-N 346.423 3.110 30 1 EGEF C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 35965434 YXTOBXGODMEKLL-PDXUZGLRSA-N 332.440 3.317 30 1 EGEF O=C(CCCCCCCNC(=O)c1ccc2ccccc2c1)NO 40950339 HUACOPNZWJZPLY-UHFFFAOYSA-N 328.412 3.416 30 1 EGEF CC1=CC(=O)C=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587824613 XTXMPMAPPBFILS-HWPZZCPQSA-N 336.204 3.403 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2C(=CC[C@H]3OC3(C)C)COC(=O)[C@@H]12 2356455907 LMFHJCCRCFDDMJ-TVFCKZIOSA-N 332.440 3.317 30 1 EGEF COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(CO)o2)ccc1O 101050573 JGMBQQMPXDIIFL-GWQKHAEWSA-N 342.347 3.224 30 1 EGEF C=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C(=O)OC 2356751486 JPADKMRYWFMXNT-PCFVDWANSA-N 346.423 3.380 30 1 EGEF CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@@H]1CC=CCC1 26837474 CMMYHGLFWPAMJF-CTNGQTDRSA-N 325.452 3.193 30 1 EGEF CO[C@]12OC[C@@H](O)c3c(C)ccc(c31)C1=C(C2=O)C(C)(C)CCC1 73279990 PRQPFHSCPMOHHX-VLIAUNLRSA-N 328.408 3.404 30 1 EGEF CCCCCCCCC[C@@H](O)/C=C/[C@H](O)[C@H](O)CCCC(=O)O 218482502 XYVMMUYIQOLBNH-ZVWIDNOQSA-N 330.465 3.021 30 1 EGEF Cc1cn(/C(=N\O)c2ccc(C)nc2OCc2ccccc2F)cn1 72182124 JPABCRPJRSZAPT-XLNRJJMWSA-N 340.358 3.297 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c(O)cc1OC 587900637 OFMLYCCSDJIGIX-UHFFFAOYSA-N 332.739 3.161 30 1 EGEF C=CCNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863140 DAUHNOZLFDQODC-UHFFFAOYSA-N 341.358 3.486 30 1 EGEF CN(N/C=C1\C=CC(=O)C=C1O)c1ncc(C(F)(F)F)cc1Cl 13125382 ZCWXRSNQKVIGJW-SOFGYWHQSA-N 345.708 3.159 30 3 EGEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C/C/C=C(\C)CC[C@@H]2O 15049202 OASCGMGKXPPAEW-VTDUBFIESA-N 334.456 3.443 30 1 EGEF CC[C@@H](C#Cc1ccccc1)N(C)/C(N)=N/C(=O)/C=C/c1ccccc1 205717437 PVOGJJDZTCSRIF-UQCBTIDJSA-N 345.446 3.303 30 3 EGEF O=C(NO)[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1F 28765861 BANNGSDJUNVCOQ-AWEZNQCLSA-N 342.292 3.181 30 1 EGEF NC1=C(O)C(=O)[C@@H](c2c[nH]c3ccc(OCc4ccccc4)cc23)O1 103939130 SOQBQROVZZERKD-GOSISDBHSA-N 336.347 3.073 30 1 EGEF N#CC1(n2cc([C@@H](NC(=O)c3ccccc3)C3CCCCC3)nn2)CC1 95562131 VSQAKWROSLTOFD-SFHVURJKSA-N 349.438 3.342 30 1 EGEF CC(C)C1=C(O)C(=O)C2=C(C=C[C@@]3(O)C(C)(C)CCC[C@]23C)C1=O 49872404 JICKNLHEJNAPNI-WOJBJXKFSA-N 330.424 3.420 30 1 EGEF biogenic COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2O)cc1 653873335 CIQGWGPEFYQICO-JXMROGBWSA-N 344.363 3.323 30 1 EGEF COC(=O)c1ccc2[nH]c(-c3ccc(F)cc3C#N)nc2c1OC 587158152 KNMFEVNVWIFOGY-UHFFFAOYSA-N 325.299 3.036 30 1 EGEF CCCN1[C@@H](C)Cc2ccccc2[C@]12C(=O)Nc1cc(C#N)ccc12 963245133 ZSZUQTGFYXFZGL-QKKBWIMNSA-N 331.419 3.411 30 1 EGEF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\C#Cc1ccc(C)c(F)c1 169360346 LSHYSRPXQSYQAD-ASDZSFOJSA-N 339.410 3.068 30 1 EGEF CC[C@H](C)/N=C(\O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)CC 4730742 JOISEXVSZYMCRK-IJEWVQPXSA-N 340.489 3.443 30 1 EGEF C=C1C(=O)[C@@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@@]1(O)C3 105474366 CAZYNLSCRWNLPJ-YKAMNDFBSA-N 346.467 3.422 30 1 EGEF COc1c(F)cc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cc1F 113410710 YGCXAFPMTIEVCR-CYBMUJFWSA-N 343.373 3.440 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(C)[C@H](OC(=O)[C@@H](C)CC)C[C@H]12 2356449784 YGMRPCQPDPKSBZ-HGSRPTBFSA-N 348.439 3.330 30 1 EGEF C=C[C@@H]1C(C)(C)C(=O)[C@H]2C[C@@]1(C)[C@H]([C@@H]1CC(=CC)C(=O)O1)[C@]2(C)O 2356488281 HFDDHJXHLBUPOC-MZXHYKARSA-N 332.440 3.053 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C(C)(C)[C@@H]2[C@H](O)C[C@H](C)[C@]23C=CC(=O)[C@@]13C 2356642406 GGMZSZPEXMFREO-CJMZFXCSSA-N 332.440 3.053 30 1 EGEF O/N=C(\CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 36475961 JTFASLDIMUTFOK-RELWKKBWSA-N 342.418 3.001 30 1 EGEF C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@H](C)CC)=C/C[C@H]12 137737701 VQRWOFINNQGFFG-PSYGNGCTSA-N 348.439 3.093 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(OCCN(C)C)nc1 587908082 LCORTZVOGCCWAB-UHFFFAOYSA-N 330.815 3.084 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1N1CC[C@@H](N)C1 587902816 QAAZTJHNUWCDAA-QGZVFWFLSA-N 326.827 3.286 30 1 EGEF N#Cc1nc(Cl)cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 587044169 QVUHJHIMVULCDL-UHFFFAOYSA-N 341.783 3.194 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc(Cl)ccn1)O2 587377025 FSCZGRBEGFRBNG-KRWDZBQOSA-N 327.771 3.400 30 1 EGEF C=C1[C@H](O)CC[C@]2(C)CC[C@]3(O)O[C@]12C[C@]3(C)CCC(=O)C(C)C 15159330 DQHNNRWINMUZIY-OBKDMQGPSA-N 336.472 3.357 30 1 EGEF CC1=CC=C(C(C)C)C(=O)[C@H](O)[C@H](C)CCC(=O)[C@@H](CO)CCC1 2356455361 PTPYXTLRNJFEMB-GPMSIDNRSA-N 336.472 3.223 30 1 EGEF C=C[C@@H](CO)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 22452396 XQBVQOQHJWDGRB-FQEVSTJZSA-N 348.490 3.039 30 1 EGEF Cc1ccc(N2CCN(c3nc4ccccc4nc3C#N)CC2)cc1 26662039 UNOMQNWNBLADHZ-UHFFFAOYSA-N 329.407 3.137 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@H](OC(=O)CC(C)C)[C@@H]12 2356493962 MITPFWVPAIMKDV-SFNKJDCFSA-N 348.439 3.089 30 1 EGEF C=C1C(=O)O[C@@H]2[C@H]1C[C@H]1O[C@H]2C(C)=CCCC(C)=CCC[C@@]1(C)O 2356804962 VBYMSIBEPZVJMK-NMDDUFOESA-N 332.440 3.459 30 1 EGEF Cc1n(Cc2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(O)cc1 96930225 HZVFFENXOVTRTF-UHFFFAOYSA-O 347.394 3.467 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(F)c1 587895542 HNJSCNWYWPNMSC-UHFFFAOYSA-N 337.181 3.238 30 1 EGEF C=CCNC(=O)c1onc(CSc2ccc(C)c(C)c2)c1C(=O)O 8672378 FLBNSOKIUUMJSN-UHFFFAOYSA-N 346.408 3.198 30 3 EGEF CC(C)[C@@H](C(=O)N(C)c1ccc(C(=O)NO)cc1)c1ccccc1 1911575558 FRCKFKQSLOGBKT-QGZVFWFLSA-N 326.396 3.208 30 1 EGEF CCC1=C/C(=C2\NNC(C)=C2c2nc3ccccc3n2C)C(=O)C=C1O 100567430 ZTTRIFOYRSKAEA-CPNJWEJPSA-N 348.406 3.027 30 3 EGEF COc1cc(/C=C/C(=O)c2c(O)c3ccccc3oc2=O)ccc1O 28714151 LQZHHEFLZZQRNA-VQHVLOKHSA-N 338.315 3.109 30 1 EGEF C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C=O 215425851 GWUQLPRDKICNSB-KJQYFISQSA-N 342.435 3.082 30 1 EGEF in-vitro C=C(C)CC[C@]1(c2ccnn2C)NCCc2c1c(C(C)C)nn2C 962914346 FNGYCQLLOZZQBJ-LJQANCHMSA-N 327.476 3.023 30 1 EGEF C#CCN(CCCOc1ccc2c(c1)NC(=O)CC2)Cc1ccccc1 1772588596 GHOBXIIAMAHIFV-UHFFFAOYSA-N 348.446 3.476 30 1 EGEF CCN(CC)c1ccc(/C=C/C2=N/C(=C3/C=CC=CC3=O)ON2)cc1 100573835 KHECRORZLHLUBJ-KZGXIWPISA-N 335.407 3.386 30 1 EGEF C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@@H]1CC[C@]2(C)O 2356753353 QYTBFAIVLHMSQG-CSRPFASASA-N 332.484 3.486 30 1 EGEF CCCCCCCCC#CC(=O)[C@H](CO)NC(=O)OC(C)(C)C 49881758 RZEXEEOVJKKRFW-HNNXBMFYSA-N 325.449 3.195 30 1 EGEF COC(=O)c1ccc2c(C#Cc3cc(Cl)ccc3OC)[nH]nc2c1 587913261 LZDNMHYXKDTVOG-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C#N)cc2)cc1 13685962 FXWGMDQMRCPBHI-UHFFFAOYSA-N 344.422 3.354 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)CC(C)=CCC[C@]1(C)O[C@@H]21 2356413545 CTGZTWRVWWXORU-LHFCKMJTSA-N 348.439 3.330 30 1 EGEF COc1cccc(/C=N/C[C@H](C)/N=C/c2cccc(OC)c2O)c1O 100327689 VNNXSKFCDCTSTJ-ZSQLCQLFSA-N 342.395 3.042 30 1 EGEF CO[C@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2 28564156 WUMIJQZPHGJALC-JOCHJYFZSA-N 347.458 3.037 30 1 EGEF C[C@H](CO)C1=C(O)C2=CC(=O)[C@@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O 86004417 WSOQNOOAFHYMDZ-OTAQOQATSA-N 346.423 3.163 30 1 EGEF OC[C@H]1C[C@H]2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1 40915877 NLGYSAUDIBBAJL-BHIFYINESA-N 347.458 3.320 30 1 EGEF C=C1CC/C=C(/COC(=O)[C@H](C)CC)C(=O)C[C@@H]2[C@@H]1C[C@@]2(C)CO 238744707 VZGQXACVDHDZIF-VTJBAYNGSA-N 334.456 3.446 30 1 EGEF CCC/C(C)=N/N=C1\SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 653793156 FKKGBFXFKWURJW-DDNNWOMUSA-N 334.401 3.202 30 1 EGEF COC(=O)c1c[nH]c2nc(C#Cc3cc(Cl)ccc3OC)ccc12 587913113 HRQNXYSLQIKMGQ-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF Cc1c(F)ccc2c1[C@](C=O)(c1ccc(Br)cc1)NCC2 962294229 BEGAGBNUQWXCPU-KRWDZBQOSA-N 348.215 3.485 30 1 EGEF C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)/C=C\CC(=O)OC 169299150 KJHMKRHEJWSQIB-AUDRJFNYSA-N 347.411 3.404 30 1 EGEF CC(=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)CC[C@H]3O)CO 2356464215 BDMIMSPBTFWTBC-IBRSFNOQSA-N 346.467 3.445 30 1 EGEF CCCSc1ccc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cn1 28821773 QOOJPVNZXJUGRP-UHFFFAOYSA-N 341.392 3.406 30 1 EGEF CC1=C2CC/C(C)=C\CC[C@@](C)(O)[C@H]3CC[C@@](C)(O3)[C@@H](C2=O)[C@@H]1O 238755207 QRTUGLKKOAKYGZ-MYUWZVBTSA-N 334.456 3.072 30 1 EGEF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C#N)cc2[nH]1 587065419 PUNVNNBRLZIQLP-UHFFFAOYSA-N 341.754 3.488 30 1 EGEF CS(=O)(=O)c1ccc2[nH]c(-c3cc(F)ccc3F)c(C#N)c2c1 587649899 MOBHEOKWTZAYKA-UHFFFAOYSA-N 332.331 3.388 30 1 EGEF C[C@@H]1CC[C@@]23O[C@@]2(CC[C@@H](O)C3(C)C)[C@@]12C[C@@H](c1ccoc1)OC2=O 14972058 NNPGERSFOITVNY-TYVOUBDXSA-N 346.423 3.373 30 1 EGEF CC1(C)Oc2ccc(C#N)cc2[C@@H]2[C@H]1OCCN2C(=O)c1ccccc1 7264 UFMRRLAHTWRMTL-RTBURBONSA-N 348.402 3.312 30 1 EGEF C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@@H]12 101576078 QUYPCWFVLDGRDN-YXWCGTORSA-N 332.440 3.317 30 1 EGEF C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@]4(C)C(=O)[C@H](C#N)C[C@]35C)[C@@H]1CC[C@@H]2O 118920083 BVWBEKKUVJYZSX-AKCOXDRMSA-N 343.467 3.230 30 1 EGEF COc1c(C(C)C)cc(O)c2c1[C@H](O)C[C@]13O[C@@]1(C)C(=O)CC[C@@]23C 2356713714 QBHJRAARLLAAJD-HOLAOCEGSA-N 346.423 3.110 30 1 EGEF COc1cccc(C#Cc2ccc3c(n2)CCN(C2CCCC2)C3=O)c1 71331466 NQNAPHMOEHXZOB-UHFFFAOYSA-N 346.430 3.431 30 1 EGEF C[C@H](/C(O)=N/C1CC1)N1Cc2ccc(-c3cccc(F)c3)nc2C1=O 82083659 BFOFVMVUOJQKIK-LLVKDONJSA-N 339.370 3.351 30 1 EGEF C=C[C@@H]1CN2CCc3c([nH]c4cc(OC)ccc34)[C@@H]2C[C@@H]1CCO 238769525 BEVQVISXDWONSY-TYILLQQXSA-N 326.440 3.280 30 1 EGEF CC(C)=CC[C@@]12OC[C@@H]3C[C@@H](C=C4C(=O)c5ccccc5O[C@]431)C2=O 95592773 SLIFDTIWOXWVKF-FJAKRLOMSA-N 336.387 3.271 30 1 EGEF COC(=O)c1nc2[nH]ccc2cc1C#Cc1cc(Cl)ccc1OC 587903513 STBCMUJBRVERPQ-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cccc([N+](=O)[O-])c1)O2 587391357 VZFNXCDDRVSCEA-GOSISDBHSA-N 337.335 3.260 30 1 EGEF O=C1C[C@@H](Oc2ccc(C(=O)C=Cc3ccc(Cl)cc3)cc2)N1 2356284238 TUNIILOZLLHTGV-GOSISDBHSA-N 327.767 3.461 30 1 EGEF C#CCn1c(C)c(C(C)(C)C)s/c1=N\S(=O)(=O)c1ccccc1 28862042 YBENEEPGIVIIQD-VLGSPTGOSA-N 348.493 3.078 30 1 EGEF CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C 2356787484 UYIDGSXWJICEAO-ZTCLFZAASA-N 331.500 3.453 30 1 EGEF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)ON3C(=O)CCC3=O)c2c1 587640473 APJNLTISTWOITH-SNVBAGLBSA-N 328.368 3.211 30 1 EGEF CC=C(C)C(=O)O[C@@H]1c2ccoc2C(=O)C2=C[C@H](O)C[C@@H](C)[C@@]21C 2356338377 VWUPQZXUHCYORA-YHTXOTLWSA-N 330.380 3.360 30 1 EGEF C=C[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356610214 WVWYCSZBBCXDNM-XFEGJNGTSA-N 332.484 3.486 30 1 EGEF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)OC(=C(CO)C(=O)C=O)C[C@@H]12 2356635030 SOCXIASRGRBOAM-LFGUQSLTSA-N 334.456 3.422 30 1 EGEF N/C(=N\c1ccc2c(c1)CCCCN2[C@@H]1CCNC1)c1cccs1 84449883 QOPUQHFOHQNUNW-MRXNPFEDSA-N 340.496 3.290 30 1 EGEF C=C1[C@H]2CC(=O)[C@@H]([C@@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C 257531813 RJNJFKDVPIFVPQ-MCHQDRFUSA-N 336.472 3.379 30 1 EGEF endogenous,in-man C=CCO[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600169 MNFFLOCDQWXALM-MBOZVWFJSA-N 338.359 3.458 30 1 EGEF COC(=O)C[C@@H](C)n1cc(C#Cc2cc(Cl)ccc2OC)cn1 587908809 CROLFWVLDAJGLY-GFCCVEGCSA-N 332.787 3.069 30 1 EGEF CO/N=C/c1c(C)c(C)c(OC)c(C/C=C(\C)CCC(=O)O)c1O 13759748 XOSSCXPKQSUHDQ-OARHHCMYSA-N 335.400 3.352 30 1 EGEF O=C1Nc2cc(Br)ccc2C1=C1Nc2ccccc2C1=O 2356461327 BUPAMFGRFQGRCA-UHFFFAOYSA-N 341.164 3.421 30 1 EGEF CC1=CC=C(C(C)C)C(=O)[C@H](O)[C@H](C)CCC(=O)C(CO)=CCC1 2356561890 IVLQHBCLTSYTPN-DNVCBOLYSA-N 334.456 3.143 30 1 EGEF CC(C)(C)c1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2CC(=NO)C3)cc1 49110513 SEMWXURVIGHDAB-GASCZTMLSA-N 336.457 3.130 30 1 EGEF COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(C#N)c1F)[C@@H](C2)C3=O 587422937 HBXTUHLYSIXRDY-BBATYDOGSA-N 327.286 3.334 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)nc2c1NCCC2 587911639 YJBPNBQINIIZGW-UHFFFAOYSA-N 342.782 3.200 30 1 EGEF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@@H](C#N)C(=O)N2 5883716 PXJJMZRPGBMTIG-JJDHGEEDSA-N 326.440 3.137 30 1 EGEF COC(=O)[C@H]1C(=O)C=C(NCCc2ccccc2)C[C@H]1c1ccccc1 101632572 DNBYHSZIGXMJJJ-PZJWPPBQSA-N 349.430 3.248 30 1 EGEF N#Cc1ccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)cc1 101661791 JCAFTHWXIMLKCH-UHFFFAOYSA-N 338.388 3.230 30 1 EGEF C=CCNc1cc(/C=C/C(=O)NO)ccc1SCCN(CC)CC 118759915 XGWZEJIDVVURML-CSKARUKUSA-N 349.500 3.237 30 1 EGEF C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@@H]1CC[C@@]2(C)O 2356753352 QYTBFAIVLHMSQG-CGHHYAOKSA-N 332.484 3.486 30 1 EGEF CCCC(=NOCC)C1=C(O)C[C@H]([C@H]2CCC[S@](=O)C2)CC1=O 2356859508 SVKHAVSUBSUFBQ-XCMOZONUSA-N 341.473 3.129 30 1 EGEF CC(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3cccc(C#N)c3)cc2C1 35941922 ZPTQWHBZIDRECZ-IBGZPJMESA-N 340.448 3.020 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cn(Cc2ccccc2)[nH]c1=N 587908949 FZJPSLIWOYRZKW-UHFFFAOYSA-N 337.810 3.406 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(c(OC)c1)OCC(=O)N2 587908319 YTSFIJORCGBIEM-UHFFFAOYSA-N 343.766 3.088 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C=O 2356346772 YMDYUWHAQBYOMU-IACVDJBLSA-N 332.440 3.046 30 1 EGEF N#Cc1c(Nc2ccc(Cl)cc2)c(F)c2nc(N)nc(N)c2c1F 58538056 RQQJLSYTHVOEHQ-UHFFFAOYSA-N 346.728 3.341 30 1 EGEF OC[C@H]1C[C@@H]2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1 62133717 NLGYSAUDIBBAJL-FDFHNCONSA-N 347.458 3.320 30 1 EGEF CCCCCCCCCNC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 43273685 BUYNCEPZKOMZCL-HNNXBMFYSA-O 331.477 3.013 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238783253 QFINJHBXXJQKPB-BVSAEONISA-N 346.423 3.010 30 1 EGEF N#Cc1ccc(/N=C2\c3ccccc3CN2c2ccc(C#N)cn2)nc1 299827900 QDJPVMIKYGOBRH-LKUDQCMESA-N 336.358 3.318 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)ccn2)N1 587772084 NHYUJRQACNWYFQ-XXFAHNHDSA-N 346.203 3.478 30 1 EGEF C=C1CC[C@@H]2O[C@]2(COC(=O)C(C)=CC)[C@H](O)C[C@H]2[C@H]1CC2(C)C 2356560213 PLGNMEYDFUAPRS-SAGLZJIZSA-N 334.456 3.397 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2cc[nH]c2nc1C(=O)O 587903436 QYRDPRLSOMRJFN-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C#N)cc([N+](=O)[O-])c1N 587900144 LSHKNIKECXXDQK-UHFFFAOYSA-N 327.727 3.110 30 1 EGEF N#Cc1ccc([C@@H](c2coc3ccccc3c2=O)n2ccnc2)cc1 13675775 ZYDFLNTVLZWITD-IBGZPJMESA-N 327.343 3.499 30 1 EGEF CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 2356320252 PUKLDDOGISCFCP-DIVOGAJISA-N 344.451 3.017 30 1 EGEF C=C(C)Cn1cc(/C=C/C(=O)CC(=O)C(=O)OCC)c2ccccc21 101704866 RHWSYSNWUQFPPZ-MDZDMXLPSA-N 339.391 3.322 30 1 EGEF C[C@@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CCC5=CC(=O)CC[C@@]54C)[C@@H]2C[C@@H](O)[C@@H]13 2356484949 NEANQMHNHHJJNL-XRIJZFCNSA-N 344.451 3.031 30 1 EGEF CCCCCCC[C@H](O)C=C[C@H](O)CC[C@H](O)CCCC(=O)O 2356490352 FITAKYVPWCVTII-BBWFWOEESA-N 330.465 3.021 30 1 EGEF C=C[C@@]1(C)C[C@@](O)([C@H]2OC2(C)C)Oc2c1c(=O)oc1cccc(C)c21 38493742 GTHJSZWFFNGEQF-IHPCNDPISA-N 342.391 3.194 30 1 EGEF CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C 2356787482 UYIDGSXWJICEAO-VUTGALGSSA-N 331.500 3.453 30 1 EGEF O/N=C(\NCc1cccnc1)c1cccnc1OCC1CCCCC1 72182567 CTRLXJQRDILEEF-UHFFFAOYSA-N 340.427 3.361 30 1 EGEF C=C(C)C(=O)OC[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 621477730 XTCOXMRZZSXAIW-ZDUSSCGKSA-N 344.386 3.279 30 1 EGEF C=CCc1cccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 587265889 XYAODZVTIMXQIR-ZDUSSCGKSA-N 338.367 3.148 30 1 EGEF CC[C@@H](C)n1c(O)nc(C)c(C#Cc2cc(Cl)ccc2OC)c1=O 587912165 HROQBPPNQZCXQG-LLVKDONJSA-N 346.814 3.290 30 1 EGEF O=C(/C=C/c1ccc(CNCCc2cnc3ccccc3c2)cc1)NO 13528149 NLKQTNGJKCBXMU-MDZDMXLPSA-N 347.418 3.086 30 1 EGEF COC(=O)c1ccccc1/N=C/C1=C(O)OC2(CCCCC2)OC1=O 102744823 HZWZVBFELIODKK-YBFXNURJSA-N 345.351 3.179 30 1 EGEF O/C(=N\c1nc(C2CCCCC2)n[nH]1)N1CCOC2(CCCC2)C1 23429281 BAVDTKLRRGKAHU-UHFFFAOYSA-N 333.436 3.043 30 1 EGEF C=C(C(=O)CC=C(C)C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)/C(C)=C/C 238767276 WPLOBQQVZLAOAQ-SZMYAUGESA-N 346.423 3.093 30 1 EGEF C[C@@]1(C(C#N)C#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341880 ZDVFENDHDVHWCH-MJGOQNOKSA-N 336.322 3.312 30 1 EGEF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]13CC[C@@H]([C@H](O)[C@H]21)[C@]1(C)O[C@@H]13 1857745135 DVHILGMUAWVTOD-ZIILDLAASA-N 334.456 3.222 30 1 EGEF CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(OC(C)C)cn2)cc1 142337935 NRWVFJAILGTLQF-INIZCTEOSA-N 336.435 3.336 30 1 EGEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)/C(C)=C\C/C=C(\C)CC[C@H]2O 238786542 OASCGMGKXPPAEW-XWOXKYHCSA-N 334.456 3.443 30 1 EGEF CCCCN1C(=O)/C(=C/NN2CCCCC2)C(=O)c2cccc(C)c21 473109196 QSMQHYNHFVUQJT-SAPNQHFASA-N 341.455 3.199 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc([N+](=O)[O-])c1CC(=O)O 587899892 IZDZTFCDRQBGEZ-UHFFFAOYSA-N 345.738 3.284 30 1 EGEF CC(C)C1=CC2=CC=C3C(C)(C)[C@@H](O)C(=O)C[C@]3(C)C2=C(O)C1=O 13480768 SJWCDFURBYTOML-ICSRJNTNSA-N 328.408 3.196 30 1 EGEF biogenic COc1ccccc1/C=C/C=N/[C@@H]1C(=O)N(c2ccccc2)[N+](C)=C1C 101584395 HCRFYBMVNBFTDG-DEMMLCMSSA-N 348.426 3.213 30 3 EGEF C=C[C@](C)(O)CCC=C(C)[C@H](OC(C)=O)[C@@H](C=C(C)C)OC(C)=O 2356779979 HRCVDYKTTYCITA-QYZOEREBSA-N 338.444 3.480 30 1 EGEF Cc1ccc(/C(=N/O)N2CC=CC2)c(OCc2cccc(F)c2)n1 72183290 UETNYSVANGIZAX-FXBPSFAMSA-N 327.359 3.116 30 1 EGEF C#CCN1C(=O)[C@@]2(CC(C)=C[C@@H](C)O2)c2c(Br)cccc21 36381976 WGRYDSIFMAFLON-SJKOYZFVSA-N 346.224 3.379 30 1 EGEF Cc1ccc(/C(=N\NC(N)=S)c2ccc(Br)cc2)cc1 45371973 VFDNQCFIHZOSJF-NBVRZTHBSA-N 348.269 3.343 30 1 EGEF O/N=C/c1ccc(OCC2CCN(Cc3ccccc3)CC2)nc1 149599143 RCWHMXIVKWTKRN-FYJGNVAPSA-N 325.412 3.181 30 1 EGEF O=C1CS/C(=N\N=C2CCCCC2)N1Cc1ccc([N+](=O)[O-])cc1 653796404 KHWRFKWEMZYWGI-VLGSPTGOSA-N 346.412 3.346 30 1 EGEF Cc1cc(Cl)ccc1O[C@H](C)c1nc2nc(C#N)c(C#N)nc2[nH]1 587067617 HLMUOMSMUDTIJF-SECBINFHSA-N 338.758 3.198 30 1 EGEF Fc1cccc(Cl)c1/C=N\n1c(S)nnc1-c1cccnc1 1296321 QINWBRXKHDWPDA-LSCVHKIXSA-N 333.779 3.304 30 1 EGEF CC(C)=CC[C@H]1C(=O)C(C(=O)C(C)C)=C(O)[C@]1(O)C(=O)/C=C/C(C)C 1642676726 VFOIIASOCMWQKR-FTIDZICGSA-N 348.439 3.091 30 1 EGEF C[C@]12CC[C@@H]3c4cc(/C=N/CCO)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13491707 ODRQXNYJNUCYCT-XFMFGYBNSA-N 343.467 3.020 30 1 EGEF C=C1C(=O)[C@@]23CC[C@@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@]1(O)C3 17187355 CAZYNLSCRWNLPJ-GEONTBIXSA-N 346.467 3.422 30 1 EGEF COc1ccc(-c2n[nH]c3c2[C@@H](c2ccncc2)[C@@H](C#N)C(=N)O3)cc1 169690838 PPBWCQPVTJUMMN-CABCVRRESA-N 345.362 3.122 30 1 EGEF C=C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 2356300682 OOHPTNLYNSKWCG-IVMMDQJWSA-N 338.373 3.332 30 1 EGEF N#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2cncn2)c1 28524152 ZNFMHXOUXUCSJG-UHFFFAOYSA-N 345.391 3.401 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 238746908 QFINJHBXXJQKPB-MDZQJLFPSA-N 346.423 3.010 30 1 EGEF biogenic O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cn(Cc2ccccc2)nn1 141180411 USXCYZXUYYLSGG-DHZHZOJOSA-N 334.335 3.131 30 1 EGEF C=CCN1[C@@H](Cc2ccccc2)COc2cccc(F)c2S1(=O)=O 96020537 RPKNHVOTDYQJSM-HNNXBMFYSA-N 347.411 3.006 30 3 EGEF O=C1C=CC2(C=C1)OC(=O)C(c1ccc(CO)cc1)=C2c1ccccc1 299819335 BCUSKIUTSKAPCI-UHFFFAOYSA-N 344.366 3.080 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)O)c1C(=O)O 587900896 WAZPXPAKENSCQX-UHFFFAOYSA-N 330.723 3.145 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(C#N)c1N 587899340 BNJOTAVIOLXJBB-UHFFFAOYSA-N 327.727 3.110 30 1 EGEF C[C@@H](C#N)c1c(-c2cccnc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650958 IRQOFUPFHRUOBN-NSHDSACASA-N 325.393 3.260 30 1 EGEF C=C1Nc2ccccc2[C@]1(O)CCN1CCC[C@]2(CC)CCO[C@@H]12 2356513069 QAXDEEATFCIIMQ-AQNXPRMDSA-N 328.456 3.442 30 1 EGEF Cc1cccc2oc(=O)c3c(c12)O[C@H](C)[C@H]3CC(=O)[C@H]1OC1(C)C 2356568749 FFVTXDZCGATRNF-CZIZLABSSA-N 328.364 3.103 30 1 EGEF C[C@@H]1CN1/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1 72103376 GGGLEWWANZXYEH-HANYDDSZSA-N 341.264 3.270 30 1 EGEF COc1ccc2[nH]c3c(c2c1)CCNC1=C3C(=O)c2ccccc2C1=O 45283311 PBSCYESTYSNYDN-UHFFFAOYSA-N 344.370 3.113 30 1 EGEF C=C1C(=O)O[C@H]2C[C@]3(C)O[C@H]3C/C=C(/C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12 238740447 TXMPZNDZQFKJQU-VRXZMHTQSA-N 346.423 3.250 30 1 EGEF N#Cc1ccc(OCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 587189979 GWTRLUDKYQJCKZ-UHFFFAOYSA-N 333.326 3.338 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)OC(=O)CC2=O 587908194 VUSQINPHRDWPMN-UHFFFAOYSA-N 326.735 3.240 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 155826925 ITWYQAIFKHRKRR-UHLVMMOUSA-N 346.423 3.011 30 1 EGEF biogenic CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc(OC(C)C)nc2)cc1 113410515 UHEVIPDTBPBBCN-MRXNPFEDSA-N 336.435 3.336 30 1 EGEF CCOC(=O)c1cc2c(C#Cc3ccc(C#N)cc3)nc(C)cn2c1 29126011 HUZLYNOOKRQRMU-UHFFFAOYSA-N 329.359 3.091 30 1 EGEF CCCCCCCCCCNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 71335016 SXUCYJGHMYLLJJ-QXSJWSMHSA-N 325.449 3.122 30 1 EGEF COc1ccc(Oc2ccc(/C(=N/O)n3nc(C)cc3C)cn2)cc1 72182631 MRZRPJYOQYSPDK-UZYVYHOESA-N 338.367 3.380 30 1 EGEF CCCCc1nc2cc(/C=C/C(=O)NO)ccn2c1CNC(C)(C)C 143066805 RVAXMEGASLCQQV-CMDGGOBGSA-N 344.459 3.084 30 1 EGEF COc1cc2c3c(c1)O[C@@H](c1cc(F)c(C#N)c(F)c1)[C@@H](C2)C3=O 587423972 MHJBPALBBOOFLL-VOJFVSQTSA-N 327.286 3.334 30 1 EGEF CC(C)=CC[C@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)C[C@@H](C)O[C@@]431)C2=O 169349410 REMHECGSDXLQKX-NFLGQJIJSA-N 330.424 3.152 30 1 EGEF CN(O)C(=O)C[C@H](O)c1cc(Cl)ccc1OCc1ccccc1 1857607539 GRSPEAHRJCOVAI-HNNXBMFYSA-N 335.787 3.190 30 1 EGEF COc1ccc(OC)c(C=CC(=O)c2c(O)cc(OC)cc2OC)c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c2ccoc2)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)[C@@H]2C[C@@H]12 525914825 IJLKKSIWRVXSAM-YBEFYUCPSA-N 340.375 3.445 30 1 EGEF biogenic N#Cc1cccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 586996714 JPJIYOPENRFFMB-CYBMUJFWSA-N 341.212 3.440 30 1 EGEF CCOC(=O)c1cc(N)c(N)c(C#Cc2cc(Cl)ccc2OC)c1 587900138 LRYBYHGOTDZCHM-UHFFFAOYSA-N 344.798 3.090 30 1 EGEF CCN1C2=C(C(=O)Nc3ccccc3)C(=O)CCN2c2ccccc21 13740051 WHYZTHDHPRIVIQ-UHFFFAOYSA-N 333.391 3.156 30 1 EGEF CC[C@H](C)/N=C(\O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)CC 4730741 JOISEXVSZYMCRK-DZKIICNBSA-N 340.489 3.443 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](O)C=C(C)CCC=C(C)[C@H]2OC(=O)[C@H](C)CC 2356454198 BZZWFLKOMFMSRX-FMUWMXLXSA-N 348.439 3.089 30 1 EGEF Cc1ccc(/C(=N\NC(N)=S)c2cccc(Br)c2)cc1 45337409 IOXFIFMULNCUSH-NBVRZTHBSA-N 348.269 3.343 30 1 EGEF in-vivo N#Cc1c([C@@H]2CCOC2)[nH]c2c1c(Br)cc1n[nH]cc12 587623298 PNQCQTOYFNUCKU-SSDOTTSWSA-N 331.173 3.182 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C#N)n2)N1 587767816 BERAFLYANXIFEL-XXFAHNHDSA-N 346.203 3.478 30 1 EGEF C(#CCO[C@H]1CCCCO1)CCCCCc1nc2cnncc2[nH]1 586910182 NBGHAKPCWPPMGH-GOSISDBHSA-N 328.416 3.002 30 1 EGEF O=C1C2=C(c3ccccc31)[C@H](c1ccccc1)N1C(=O)CSC1=N2 5809392 BATNBRDJEYAKBB-KRWDZBQOSA-N 332.384 3.280 30 1 EGEF COc1cc(CCC/N=C(\S)NCCc2ccccc2)ccc1O 13487684 YPTSGPHHRXZZNR-UHFFFAOYSA-N 344.480 3.452 30 1 EGEF CCCCCCCCCCS(=O)(=O)O/N=C(\N)c1ccccn1 169342924 HYMPIFNVPYBOBT-UHFFFAOYSA-N 341.477 3.189 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@@H]12 169354214 SLFNZRXROGKMKG-NPRHBIQISA-N 346.423 3.010 30 1 EGEF C=C1CC[C@H]2CC[C@@H]3C(=O)NC(=C[C@@H](C)CC(=O)C1)[C@@]3(O)C2(C)C 2356381376 KFRPDESGMXVVHV-LPRVAIFDSA-N 331.456 3.119 30 1 EGEF N#C[C@@H](c1nc2ccccc2s1)c1ncnc(Cl)c1[N+](=O)[O-] 6584382 XGRXYXAJEJDAKE-SSDOTTSWSA-N 331.744 3.303 30 1 EGEF CCCCC1=C(Br)c2nc3ccccn3c2C(=O)C1=O 103275898 MMRDEBKENNTBTP-UHFFFAOYSA-N 333.185 3.396 30 1 EGEF C=CC1=C2C(=O)CC[C@@H]3CN4C[C@H](C)[C@H]5C[C@H]4[C@]3(C)[C@]2(CC1)C5=O 2356448283 XTYMVYMUTIHPNR-GBZCIGGESA-N 325.452 3.158 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@@](C)(C[C@@H](OCC(C)=CC)[C@H]12)O3 2356508426 WZSKOSACJPMXOP-PLMVVOMFSA-N 346.423 3.107 30 1 EGEF CCCCCC=CC[C@]1(O)C=CC(=O)C1=CC=C[C@@H](O)CCC(=O)O 2356838925 MEOINZQEJRNAIG-UZLBHIALSA-N 348.439 3.091 30 1 EGEF COc1ccc(C(=O)/C=C/c2ccc(O)c(O)c2)c(OC)c1OC 34121367 PMASIWFWNAIDJO-QPJJXVBHSA-N 330.336 3.020 30 1 EGEF CCN(CC)/C(=N\C#N)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21 40617208 ZMLOBWHEHJLRDF-MNDPQUGUSA-N 328.372 3.371 30 1 EGEF COc1ccc(C/C(=N/O)c2ccc(OC)c(OC)c2OC)cc1 40414320 NUDBOQJTILDTBT-CYVLTUHYSA-N 331.368 3.142 30 1 EGEF COc1ccc([C@H](CC(=O)O)C2=CC(=O)c3ccccc3C2=O)cc1 95595844 KSFAOWKOIKKPNR-INIZCTEOSA-N 336.343 3.259 30 1 EGEF Cc1ccc(CNC2=CC(=O)C(NCc3ccc(C)cc3)=CC2=O)cc1 299824947 JEPJUXBFOZFYFO-UHFFFAOYSA-N 346.430 3.102 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccn2nc(C(=O)O)cc2c1 587912306 DYOBFHHAIHMZKO-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF CNC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 587899757 DIXAYFIUDXRVRB-UHFFFAOYSA-N 344.754 3.016 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cncc(NCc2ncc[nH]2)c1 587907460 ACXZCPZEBITRLU-UHFFFAOYSA-N 338.798 3.479 30 1 EGEF [O-]/[N+](=C\c1cn(-c2ccc(C(F)(F)F)cc2)nn1)Cc1ccccc1 169339640 HNNCFLWFBUEJGH-KSEXSDGBSA-N 346.312 3.416 30 1 EGEF Cc1coc2c1C[C@]1(C)[C@H](CC[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]1C)C2=O 2356427724 LESDSDOYPJTSBW-KTOYAVKQSA-N 346.423 3.468 30 1 EGEF C#C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(-c2ccccc2)cc1 2356304972 JCFQXVYFIWOKOW-VOQZNFBZSA-N 344.458 3.427 30 1 EGEF COC1=CC=C/C(=C2\N=C(NCc3ccco3)c3ccccc3N2)C1=O 104029897 NQYWGIHKOCQRBV-HMMYKYKNSA-N 347.374 3.122 30 3 EGEF O=C(CC12C[C@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)NO 101666165 IXLWJPCOAMGLEB-LGBHXNNWSA-N 330.384 3.328 30 1 EGEF C#CCN1C(=O)[C@]2(CC(C)=C[C@H](C)O2)c2c(Br)cccc21 66129671 WGRYDSIFMAFLON-SJCJKPOMSA-N 346.224 3.379 30 1 EGEF CCCC(=NOCC)C1=C(O)C[C@H]([C@@H]2CCC[S@@](=O)C2)CC1=O 2356859505 SVKHAVSUBSUFBQ-HEWAKGLMSA-N 341.473 3.129 30 1 EGEF C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 33803681 CZEMYYICWZPENF-DCTHVCBSSA-N 348.439 3.076 30 1 EGEF in-man C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)C(=C)CC/C=C(/C)CCC[C@H](C)[C@H]2O 34172714 SQZQILNEYFKUMI-OPHHJKKWSA-N 334.456 3.299 30 1 EGEF CC1=Cc2cccc3c2C(=CC(=O)[C@@]32Oc3cc(O)cc(C)c3C2=O)O1 14448364 DAUHTLJLLJLZKQ-NRFANRHFSA-N 346.338 3.486 30 1 EGEF biogenic CC(C)=CC[C@@]12C(=O)C=C[C@@](O)(CC[C@@H]1c1ccc(O)cc1)C2=O 13307986 LDQGHYBYTNQNFR-UXPWSPDFSA-N 326.392 3.051 30 1 EGEF biogenic CC(C)(C)c1ccc(/C=N/Cc2ccc(S(N)(=O)=O)cc2)cc1 45261745 ZCIZNPGXSRSRAR-UDWIEESQSA-N 330.453 3.251 30 1 EGEF C[C@]1(CO)CCC[C@]2(C)c3cc4c(cc3C(=O)C[C@H]12)C(=O)C=CC4=O 238760424 PCQUPBXXGWSGMS-NJDAHSKKSA-N 338.403 3.265 30 1 EGEF Brc1ccnc2nc(C=NOCc3ccccc3)[nH]c12 587190853 TXAVFOSANIPFJU-UHFFFAOYSA-N 331.173 3.271 30 1 EGEF Cc1nn(C)cc1[C@@]1(CC#N)CC(=O)c2ccc3c(c2O1)CCCC3 587515967 PVUMQGFQQMGWNP-HXUWFJFHSA-N 335.407 3.382 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CNC2COC2)cc1 587905880 LPMJWXXQTAZEHG-UHFFFAOYSA-N 327.811 3.237 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C)nc(C(=O)O)c(C#N)c1C 587902405 DYZGPQMHYBHKTB-UHFFFAOYSA-N 340.766 3.330 30 1 EGEF CC1(C)OC(=O)C[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 586906667 OYGPTBQBZSPOOF-QMMMGPOBSA-N 334.173 3.006 30 1 EGEF C[C@@H]1CC(=O)[C@]23CO[C@H]4O[C@H](c5ccoc5)C[C@@]41[C@H]2CCC[C@]31CO1 3108772 NDNJZWPFCBYVOR-NLJRHTBWSA-N 344.407 3.248 30 1 EGEF N#Cc1c[nH]c(C(=O)Nc2ccc(CCO)cc2C2=CCCCC2)n1 103285603 TUFVFYQJYMMHMV-UHFFFAOYSA-N 336.395 3.026 30 1 EGEF CC(=CCOc1ccc2ccc(=O)oc2c1)C[C@H]1O[C@@H]1C(C)(C)O 2356430429 UUNMPBCTAGMNET-AEFFLSMTSA-N 330.380 3.047 30 1 EGEF COc1ccc(C=C2COc3cc(OC)c(OC)cc3C2=O)cc1O 2356504329 MVRMZYSAVJUULH-UHFFFAOYSA-N 342.347 3.077 30 1 EGEF C=C[C@]1(C)CC(=O)C2=C(CC[C@@H]3C(C)(C)OC(=O)CC[C@]23C)[C@H]1O 2356796511 NIMXJYFXUBSDPY-JRJVTICQSA-N 332.440 3.341 30 1 EGEF C=C(CC/C=C1\C[C@@H](C=C(C)C)OC1=O)[C@@H](O)CCC1=CC(=O)OC1 49054175 QSKKGQVXKWAQQS-KZJLQMAHSA-N 346.423 3.155 30 1 EGEF Cc1cc(C)cc(Cc2nc(N)nc(Nc3ccc(C#N)cc3)n2)c1 5930678 QJTBAKXOCBWUBZ-UHFFFAOYSA-N 330.395 3.277 30 1 EGEF CCCCCCCC(=O)O[C@@H]1C[C@@H]2C[C@@H](OC(C)=O)[C@@H](C1)N2C 169351160 GEBXVKMFYZIRIJ-QBPKDAKJSA-N 325.449 3.057 30 1 EGEF N#Cc1ccccc1CCc1nc2ncc(Br)cc2[nH]1 206510663 UYPCJNCHQDACRZ-UHFFFAOYSA-N 327.185 3.377 30 1 EGEF N#Cc1ccc(C(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1 1857543538 JCACGVWVECBJKF-INIZCTEOSA-N 330.391 3.454 30 1 EGEF C[C@H]1CCc2sc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c(C#N)c2C1 100630667 OEFZKLVDEPGSFD-WLNMLXKZSA-N 338.432 3.056 30 1 EGEF C[C@]12C(=O)C=C(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CCO 2356358554 RJKJQHWLCLYSHD-NPQHVMBQSA-N 348.483 3.373 30 1 EGEF O=C1CCCC2=C1[C@H](c1cc3ccccc3[nH]c1=S)NC(=S)N2 103283181 WFGITHNJTKVIAD-HNNXBMFYSA-N 341.461 3.423 30 1 EGEF COc1ccc(CNC2=C(C)C(=O)c3cccc(OC)c3C2=O)cc1 103207770 QQZWRPPHSRGBSY-UHFFFAOYSA-N 337.375 3.147 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@@H](OC(=O)CC(C)C)[C@H]12 2356493960 MITPFWVPAIMKDV-MTNOOBJLSA-N 348.439 3.089 30 1 EGEF N#Cc1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cn[nH]c1N 84616036 PEJWXASIRDTNBM-UHFFFAOYSA-N 343.799 3.498 30 1 EGEF O=C1Nc2ccc(I)cc2/C1=N/c1ccccc1 45291757 PXXDPKJIQHPZMV-UHFFFAOYSA-N 348.143 3.364 30 1 EGEF C=C(C)[C@H](C[C@@](C)(O)[C@H]1CC[C@H](COC(C)=O)CC1)OC(C)=O 238761390 MMUHWJFYDCOUMO-XWTMOSNGSA-N 326.433 3.005 30 1 EGEF Cc1ccc(O)c(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)c1 299824919 ITUQPCUUXOPCQF-XDHOZWIPSA-N 340.404 3.166 30 1 EGEF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(C#N)cc3[nH]2)C(F)(F)C1 587132453 QMRHNHIPFRVISZ-NSHDSACASA-N 348.353 3.404 30 1 EGEF CCCc1c(O)ccc2c1O[C@](CC#N)(c1cn(C)nc1C)CC2=O 587474126 BQOCXQHMSWJYIQ-IBGZPJMESA-N 339.395 3.161 30 1 EGEF CC(C)/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1 13479197 AMRJMRWUBAZBKA-LDRVEFRDSA-N 343.408 3.412 30 1 EGEF CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 2356478735 POQLDVULDKRFNY-CNPAUTQISA-N 330.468 3.406 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](COC(=O)CC(C)C)[C@H]1CCC(=O)[C@]12C 2356718236 OLKZJHSZHUGDSV-DJSXVQBJSA-N 348.439 3.069 30 1 EGEF C=C(C)[C@]1(O)CCC2=C3O[C@@](C)(CCC2=O)[C@@H](O)CCC(C)=C[C@@H]31 2356799763 UVBDNFDYDHBUDB-LWCVALJOSA-N 332.440 3.197 30 1 EGEF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C#N 587574860 CKGVHUGVTAHKPB-FXAWDEMLSA-N 346.342 3.305 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1[C@@H](N)CC(=O)O 587901799 TXAPZXXENWCZSR-INIZCTEOSA-N 329.783 3.223 30 1 EGEF COC(=O)N1CC[C@@](O)(C#Cc2cccc(C)c2)[C@@H]2CCCC[C@@H]21 169314745 KHTQLWFDNBGZGX-HBFSDRIKSA-N 327.424 3.109 30 1 EGEF CC(=CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 1857623137 OUTLLBZGJYDUQE-UHFFFAOYSA-N 326.348 3.380 30 1 EGEF C=CCN(CC=C)C(=O)c1onc(-c2ccc(OC)cc2)c1[C@@H](C)O 2356290560 WOAYMTOLTVQSJH-CYBMUJFWSA-N 342.395 3.218 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 104370387 QFINJHBXXJQKPB-WTPTUAJTSA-N 346.423 3.010 30 1 EGEF endogenous,in-man C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3C[C@@H](O)C(C)=CCCC(C)=CC[C@H]12 2356674233 ZRITUCVRNQEAPN-VBEQINLCSA-N 332.440 3.459 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](COC(=O)CC(C)C)[C@@H]1CCC(=O)[C@@]12C 2356718237 OLKZJHSZHUGDSV-KLSISNOZSA-N 348.439 3.069 30 1 EGEF N#Cc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl 34659231 PMYRZDKDSIHDIU-UHFFFAOYSA-N 345.193 3.453 30 1 EGEF O=C1C=C[C@]2(C=C1Cl)OC[C@H](c1ccc(Br)cc1)O2 96916788 PVIYZFTVSXTWBB-KGLIPLIRSA-N 341.588 3.495 30 1 EGEF CC(C)C1=C[C@H]2C[C@]3(C#N)[C@@H]4CC[C@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O 253633968 LFUZWEFVOVESCP-FYDCMZASSA-N 329.440 3.228 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C[C@H](C#N)CO)cc1 587906144 RZWBCPYXFIZRDN-MRXNPFEDSA-N 325.795 3.423 30 1 EGEF Brc1cnc2nc(C=NOCc3ccccc3)[nH]c2c1 587189976 ICMBUJGTGQRWGO-UHFFFAOYSA-N 331.173 3.271 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)N(C)OC)c1 587904788 XDMYGFQLPVPIBJ-UHFFFAOYSA-N 329.783 3.382 30 1 EGEF C=CC[C@@](C)(N)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587257456 ARWPXFAJCIZWJM-HXUWFJFHSA-N 331.375 3.088 30 1 EGEF CC/C(O)=C1/C(=O)[C@H](Cc2ccccc2)N(C(=O)OC(C)(C)C)C1=O 1857574872 NTHJEEADORLUPC-NPIURYIMSA-N 345.395 3.166 30 1 EGEF COc1ccc2c(c1)OCC(=Cc1ccc(OC)c(OC)c1)C2=O 2356421073 YKRAQIAZPKGEIC-UHFFFAOYSA-N 326.348 3.371 30 1 EGEF COc1cccc(C(=O)c2cc3cc(/C=C/C(=O)NO)ccc3o2)c1 28713208 JDFCMTMEFASINY-SOFGYWHQSA-N 337.331 3.191 30 1 EGEF N#Cc1cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2cc1C#N 587166777 IWFXNLOSFFACNX-WAYWQWQTSA-N 331.310 3.097 30 1 EGEF CCOC(=O)Cc1ncccc1C#Cc1cc(Cl)ccc1OC 587902821 BEZZPHKHQADCEH-UHFFFAOYSA-N 329.783 3.249 30 1 EGEF C=CC[C@H]1C[C@]2(CCc3ccc(OC)c(OC)c3)OCOC2=CC1=O 1857543448 MIQQLJZSAIRKGG-YWZLYKJASA-N 344.407 3.429 30 1 EGEF CCOC(=O)c1ccccc1/N=C/c1c(O)oc2ccccc2c1=O 102770606 ZISRLHKCRRVBEG-RGVLZGJSSA-N 337.331 3.426 30 1 EGEF C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc[nH]2)CC1 62241917 NGHYJTPCQZDPGC-UHFFFAOYSA-N 344.846 3.228 30 1 EGEF Cc1coc2c1[C@@H](O)[C@]1(C)[C@@H](C)CC[C@H]3O[C@]31[C@H]2OC(=O)C(C)C 238778921 CHNQVGREERVZFT-NZQWJWPBSA-N 334.412 3.449 30 1 EGEF O=C(NO)c1ccc2c(c1)CCCN(C(=O)C1CCCCCC1)C2 96933610 NZABIXCLMDZTQX-UHFFFAOYSA-N 330.428 3.051 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(N)c(C(=O)N(C)C)c1 587902106 JYPHUNFKISJKPF-UHFFFAOYSA-N 328.799 3.032 30 1 EGEF COC(=O)c1cc2c[nH]nc2cc1C#Cc1cc(Cl)ccc1OC 587907645 QJDZUWMSEXREPZ-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(/C)CC[C@@H]2O 169290468 OASCGMGKXPPAEW-JHSRJFPESA-N 334.456 3.443 30 1 EGEF C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC)cc2)cc1 3419422 KOHOUFIOPQRAFS-AWNIVKPZSA-N 336.391 3.263 30 3 EGEF COc1ccc(/C=C2\Nc3cc(OC)cc(OC)c3C2=O)c(OC)c1 102120916 CCXZTCLYPSKTKP-CHHVJCJISA-N 341.363 3.370 30 1 EGEF C#CCc1c(Cl)cc(N/C=N/OCC(=O)OCC)cc1Cl 103180371 DFIXLLWLJWXLKS-UHFFFAOYSA-N 329.183 3.104 30 1 EGEF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](C[C@H]4O[C@]412)[C@]1(CO1)C3 103109609 LJXZNYIHYUWUED-NWBXAOSSSA-N 346.467 3.473 30 1 EGEF COC(C=Cc1ccc(O)c(OC)c1)=NCCc1ccc(O)cc1 2356477667 DECGFMRSPNOPFI-UHFFFAOYSA-N 327.380 3.407 30 1 EGEF COC(OC)C1=CC[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]1C=O 34094113 SCBYXSFIWGIHLI-YIOZNXECSA-N 338.444 3.125 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2[nH]cc(C(=O)O)c2c1 587909913 CJOCALQDHUDKGC-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(O)c(C=O)c1 587899929 JUMMOTAKYJIWLS-UHFFFAOYSA-N 344.750 3.053 30 1 EGEF COC(=O)c1cc(F)cc(C#Cc2cc(Cl)ccc2OC)c1N 587916746 QRKZRMOYLZZFEI-UHFFFAOYSA-N 333.746 3.256 30 1 EGEF CCOC(=O)[C@H](C#N)[C@]1(CC)c2ccc(F)cc2C[C@@H]2CCCN21 963103616 NVPGAUVXXJTTKF-IEZWGBDMSA-N 330.403 3.154 30 1 EGEF O=C(NO)c1ccc(N[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 169254902 WEZUWBUJRJCUNX-HNNXBMFYSA-N 331.803 3.150 30 1 EGEF C/C(=N\OC[C@@H](O)CNC(C)(C)C)c1ccc(Cl)c(Cl)c1 169327332 JFSZKCQJAZDSOX-NJDFMEINSA-N 333.259 3.483 30 1 EGEF CC(=O)C(=Cc1ccc(O[C@H](C)C(=O)O)c(Cl)c1Cl)C(C)=O 169340591 IVYPZWONYGGPHE-SECBINFHSA-N 345.178 3.407 30 1 EGEF COc1cc(OC)c2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 103178981 VOIPJKCPGVDWQP-PXNMLYILSA-N 342.347 3.337 30 1 EGEF CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\c1cnc2ccccc2c1 101157304 INASWFWAQGLSQN-NJHPPEEMSA-N 334.375 3.048 30 1 EGEF N#Cc1ccc2nc(NC(=O)NCc3nc4ccccc4[nH]3)sc2c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c1cc(F)cc(Nc2nc(NC3CCCC3)nc([C@@H]3CO3)n2)c1 36379270 DSVYJFCGNRRCKL-ZDUSSCGKSA-N 333.342 3.319 30 1 EGEF CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@]2(C)CC1=O)O[C@@H](C)C4 14765501 CEFJBQPEKNGIIU-FFVOIRBGSA-N 340.375 3.111 30 1 EGEF biogenic CCCCCCCC[C@@H](O)[C@H](O)/C=C/[C@H](O)CCCCC(=O)O 43024981 KFPLVZLISLBBSJ-AUXPREMHSA-N 330.465 3.021 30 1 EGEF CC(C)C(=O)Cc1c(OC[C@H]2OC2(C)C)ccc2ccc(=O)oc12 95912465 GQNWYSYOSQOHAT-MRXNPFEDSA-N 330.380 3.117 30 1 EGEF biogenic,in-vitro C[C@@H]1CC[C@@H]2CC3=C(COC(=O)CC(C)(C)O)C(=O)C[C@@]31C2(C)C 238773505 SWWHKTDRKCDGNL-IZDJOXEWSA-N 334.456 3.422 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)O)cc1C(=O)O 587901266 XPSVPYLILUIQAI-UHFFFAOYSA-N 330.723 3.145 30 1 EGEF Cc1n[nH]c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880477 NIFJEJDMKJVOBF-UHFFFAOYSA-N 336.222 3.044 30 1 EGEF C=C[C@H]1C[N+]2(C)CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 13002971 SJTSZVLGFLZBFK-CNQFABIESA-N 339.459 3.318 30 1 EGEF Cc1nscc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587899125 SLXHZMUIWDFPJY-UHFFFAOYSA-N 339.247 3.469 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)CN(C)C(=O)C2 587907267 ISTTZTFQJFQZOP-UHFFFAOYSA-N 325.795 3.263 30 1 EGEF C=CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587581824 NEQAFAGJNJPFIP-XLIONFOSSA-N 348.358 3.478 30 1 EGEF COc1ccc2[nH]c(C)cc(=N/N=C/c3ccc(C(=O)O)cc3)c2c1 1857587217 JMLMWFWSQZGPPL-RGVLZGJSSA-N 335.363 3.118 30 1 EGEF O=C1C=CC=C/C1=C1/C[C@H](c2cccs2)N(C(=O)c2ccco2)N1 103782214 AVRGPEFCLJRMLR-XTZCOPOCSA-N 338.388 3.382 30 3 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC(=O)C[C@H]2C)[C@H](OC(=O)C(C)=CC)[C@@H]1O 2356626395 WLNBDZUPCWZZJJ-FHKMWSDDSA-N 334.456 3.443 30 1 EGEF C=C1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@@H](C(C)C)[C@@H]2/C(=C\C)C(=O)C[C@@H]12 238771275 LEKWOAFHZQWGJG-UBHULIGYSA-N 332.440 3.219 30 1 EGEF C#CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148102360 OGWJRKPCFDYOMZ-UHFFFAOYSA-N 344.374 3.376 30 1 EGEF CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3cccc(O)c3)[C@@H]1C2 169308771 RJJAAHSNJCZQSF-WNIXFANNSA-N 349.430 3.486 30 1 EGEF C/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/C)cc3)o2)cc1 5834024 PJXXOTMPTCSMBW-UHFFFAOYSA-N 332.407 3.284 30 1 EGEF CC(=CC[C@@H]1OC(=O)C=C1C)[C@@H](O)CC[C@H](C)C1=CC(=O)C(C)(C)O1 2356400475 AGIJXIAFBCBLFT-BPUTZDHNSA-N 348.439 3.234 30 1 EGEF Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2ccccc2F)n1 29125208 NYGIDCPRCCBVFG-UHFFFAOYSA-N 347.393 3.418 30 1 EGEF CC(C)=CC(=O)O[C@@H]1CCC(C)(C)[C@]2(C)[C@]1(C)C[C@@H](CO)[C@]21CO1 2356532164 SKEVLCWFNQWZAL-MZCHELMPSA-N 336.472 3.478 30 1 EGEF COC(=O)c1sc2cc(C#Cc3ccc(F)cc3)cnc2c1N 66077100 KNWZXMUVHLYYPE-UHFFFAOYSA-N 326.352 3.204 30 1 EGEF CC(C)(O)[C@H]1Cc2c(O)ccc(C(=O)C=Cc3ccc(O)cc3)c2O1 2356739682 SUKRWJWSDOFKRU-GOSISDBHSA-N 340.375 3.068 30 1 EGEF C=CC(C)(C)c1c(O)c(/C=C/C(=O)O)c2c(c1O)C(=O)CC(C)(C)O2 40836111 RCWHURATSALMKC-BQYQJAHWSA-N 346.379 3.403 30 1 EGEF C=C(C)[C@H](O)Cc1c(O)ccc(C(=O)/C=C\c2ccc(O)cc2)c1O 195769123 INVPDHNCDPICSJ-FVXMCEBTSA-N 340.375 3.179 30 1 EGEF CCCCCCCOc1ccc(C(=O)NC2(/C(N)=N/O)CC2)cc1 141887715 BITREWRIWWBUPS-UHFFFAOYSA-N 333.432 3.045 30 1 EGEF C=CCOc1cccc([C@@H]2NC(=S)N=C(C)/C2=C(\O)OCC)c1 621475797 CCHRLVYYGYOGSX-RIBQPWQFSA-N 332.425 3.448 30 1 EGEF Cc1ccc(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 587890213 VSQFWAUYWPSHDA-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF CN(C)CCOc1ccc2[nH]c(C=NOCc3ccccc3)nc2c1 587189511 BOCAGFZGQYSDGD-UHFFFAOYSA-N 338.411 3.054 30 1 EGEF CC[C@@H](Oc1ccccc1Cl)c1nc2nc(C#N)c(C#N)nc2[nH]1 587061298 DBCKSABAQISLEH-GFCCVEGCSA-N 338.758 3.280 30 1 EGEF CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(O)[C@@H]2O)cc1 204562587 RXXXEUDUCIPSLZ-LJQANCHMSA-N 331.412 3.381 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@H](OC(=O)C(C)=CCO)[C@@H]12 2356553192 QXVGANVELOYXEZ-RCCFBDPRSA-N 346.423 3.011 30 1 EGEF C=C[C@]1(C)C=C2C(=O)[C@@]3(O)OC(=O)[C@@]4(CCCC(C)(C)[C@@H]34)[C@H]2CC1 2356598765 AHEAPTSGUOGOKK-LRLHPVAZSA-N 330.424 3.156 30 1 EGEF CC1(C)Oc2cc(O)c(C(=O)C=Cc3ccccc3)c(O)c2C[C@@H]1O 2356636672 QEISUXVWYCBWPL-KRWDZBQOSA-N 340.375 3.068 30 1 EGEF C[C@]12CC(=O)[C@]34C(=O)O[C@H](c5ccoc5)[C@@H]3[C@]4(C)[C@@H]1CC[C@H]1O[C@]12C 2356751176 MXCWFIORGFVJPA-DVZNGLEKSA-N 342.391 3.047 30 1 EGEF N#Cc1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587111178 KKCJPJUNGCSQLA-UHFFFAOYSA-N 344.296 3.383 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(C(OC)OC)c(OC)c1 587909326 OWJQGGJHXDCHBD-UHFFFAOYSA-N 347.798 3.443 30 1 EGEF CC1=CCC[C@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2[C@H](O)C[C@@H](C)[C@@]3(C)CC1 2356381536 QERBULPKWCHSBH-HWUKTEKMSA-N 334.456 3.087 30 1 EGEF COc1cc(C(=O)n2ccc3cc(C#N)ccc32)cc(OC)c1OC 28389051 BUAIZYJPADFUBI-UHFFFAOYSA-N 336.347 3.227 30 1 EGEF C#CCN(C)C[C@@H]1O[C@@H](C2CCCCC2)Cc2c1ccc(O)c2O 26569605 ORJBNDRHLGFVFW-MOPGFXCFSA-N 329.440 3.226 30 1 EGEF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@@](C)(O)[C@@]13C 2356509102 CBOLYDOXFPZAIY-NPSVCUHKSA-N 346.423 3.383 30 1 EGEF CC1=CCC[C@](C)(O)C=C[C@](O)(C(C)(C)O)CC[C@]2(C)O[C@H]2CC1 2356797466 NZAOFLDYDBJCSL-FRYIKTPZSA-N 338.488 3.254 30 1 EGEF N#Cc1cc(C#N)c2nc(O)c3c(-c4ccccc4)csc3n2c1=N 84603972 MRFTXAXZFRSSED-UHFFFAOYSA-N 343.371 3.144 30 1 EGEF CC(C)(C)c1ccc(NC(=O)NOCCCCCC(=O)NO)cc1 95596642 ULAZOIMRJDPSEX-UHFFFAOYSA-N 337.420 3.103 30 1 EGEF N#CC1(C#N)c2c([nH]c3ccccc23)O[C@@H]2c3ccccc3C(=O)[C@H]21 231376766 WIXKBVZEUXXNDG-SJLPKXTDSA-N 325.327 3.399 30 1 EGEF N#Cc1nc(Cl)cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587037770 YEBCASCUXBKBLB-NSHDSACASA-N 330.800 3.401 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C#N)n2)N1 587767814 BERAFLYANXIFEL-JDNHERCYSA-N 346.203 3.478 30 1 EGEF Cc1[nH]c(=N[C@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N 1857543295 DRQHRPOTAKQHEV-LLVKDONJSA-N 338.798 3.352 30 1 EGEF C[C@H](O)CC1=C(O)C2=CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O 238775542 MRGKYYLMJXRUKL-ODJWZWOWSA-N 346.423 3.306 30 1 EGEF N#Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 587890819 VTIQYNVDMDDMOS-UHFFFAOYSA-N 333.174 3.168 30 1 EGEF COc1ccc(C#Cc2cc(Cl)ccc2OC)c(C(N)=S)c1 587919404 NOUKLVSUWLYNJK-UHFFFAOYSA-N 331.824 3.391 30 1 EGEF CC=C1C(=O)C[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356624833 QAKWWXLYSGFAQN-JXFSFQFBSA-N 330.468 3.406 30 1 EGEF CC(=CCO)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@H](C)[C@@]13C 2356780727 GEHSMLAJCBNTPU-KZNFINKQSA-N 346.423 3.241 30 1 EGEF CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCC#N 82064898 WNJRFOAEJQJSMJ-IBGZPJMESA-N 349.434 3.138 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cccc([N+](=O)[O-])c1)O2 587391358 VZFNXCDDRVSCEA-SFHVURJKSA-N 337.335 3.260 30 1 EGEF C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc([N+](=O)[O-])ccc2c1CC=O 587646752 JYUVOSJFYRNBRL-JTQLQIEISA-N 347.371 3.403 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C\CC/C(C)=C\[C@H](O)C[C@H]2C 17025383 GQTPRLWQZDUWKJ-FFULSBIRSA-N 334.456 3.299 30 1 EGEF C=C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cc(C)cc(C)c1 2356298550 KLGGQMZIAIBQCI-RYRKJORJSA-N 329.513 3.486 30 1 EGEF C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)CO 2356464789 TZGCPIWXEWYCLJ-FJEWGBTGSA-N 328.452 3.472 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OC/C(C)=C\C)[C@@H]12)O3 238756596 WZSKOSACJPMXOP-LRKKHANSSA-N 346.423 3.107 30 1 EGEF CN(C)CC#CCCC(=O)[C@](O)(c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 299805104 VCZVZKXCDQXJCF-RUOSDFBUSA-N 339.479 3.225 30 1 EGEF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OCC#N)[C@@H](C2)C3=O 587428276 JGNHREAPHZBPNB-YWZLYKJASA-N 335.359 3.260 30 1 EGEF COc1ccc(Cl)cc1C#Cc1[nH]c(=N)ccc1Br 587910797 SRXMRRXOHGUYDC-UHFFFAOYSA-N 337.604 3.318 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)nc2)N1 587769967 HEJNOYQSGFTBGZ-JDNHERCYSA-N 346.203 3.478 30 1 EGEF O=C1C=C(CSC(=S)N2CCCCC2)C(=O)c2ccccc21 1857637466 MBKGBHZZKRXLTD-UHFFFAOYSA-N 331.462 3.496 30 1 EGEF COc1ccc([C@H]2CC[C@@H](OCC#Cc3cccnc3)O2)cc1OC 29253971 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GLOHDIJCXZYXRA-SFHVURJKSA-N 339.420 3.290 30 1 EGEF C=CCC(C)(C)c1nc2cc(I)cnc2[nH]1 587954460 VVNLETYBZKTFDC-UHFFFAOYSA-N 327.169 3.416 30 1 EGEF O=C1C=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CCC1 587890639 ALTPHZAQDMPEQD-UHFFFAOYSA-N 336.218 3.335 30 1 EGEF N#Cc1cc(O)cc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 587189891 GHMVQVFICLMKTH-UHFFFAOYSA-N 330.141 3.275 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(-c2cnnc(=N)[nH]2)s1 587921247 YNVWKYNEOIYMFC-UHFFFAOYSA-N 342.811 3.074 30 1 EGEF C[C@H](O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356492697 AIPVEEYYOOGTAW-LDQOJUGFSA-N 332.484 3.486 30 1 EGEF C[C@H](O)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356594017 FIPSPZIBNVOPQH-DZAJHDDSSA-N 332.484 3.486 30 1 EGEF C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)C(=C)CCC=C(C)CCC[C@H](C)[C@H]2O 299814705 SQZQILNEYFKUMI-UKNAQKAOSA-N 334.456 3.299 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc2c(C(=O)O)cnn12 587912549 KIGLIIOBLARNGA-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc(C)n1 587890277 YPIOGUGCCIKHSF-UHFFFAOYSA-N 348.233 3.111 30 1 EGEF CCOC(=O)Cc1ccc(C#Cc2cc(Cl)ccc2OC)cn1 587907703 FVTLXGFUAVCKDW-UHFFFAOYSA-N 329.783 3.249 30 1 EGEF C=C(C)[C@@H](C[C@](C)(O)C1CCC(COC(C)=O)CC1)OC(C)=O 2356540111 MMUHWJFYDCOUMO-HIEASXQVSA-N 326.433 3.005 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C(C)(C)[C@@H]2[C@H](O)C[C@H](C)[C@@]23C=CC(=O)[C@@]13C 2356642405 GGMZSZPEXMFREO-AVLVSSQISA-N 332.440 3.053 30 1 EGEF C=C[C@H]1CN2CC[C@H]1C[C@H]2c1[nH]c2ccc(OC)cc2c1CCO 6018804 LSCMBADHRZWQFC-NJSLBKSFSA-N 326.440 3.280 30 1 EGEF biogenic CC(C)COc1ncccc1/C(=N/O)NCc1c(F)cccc1F 72103006 VPDSJTDSLFRQBC-UHFFFAOYSA-N 335.354 3.320 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)nc2)N1 587770946 LBMPJTWKSUSQQT-XXFAHNHDSA-N 346.203 3.478 30 1 EGEF C=CCO[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600170 MNFFLOCDQWXALM-UWVAXJGDSA-N 338.359 3.458 30 1 EGEF COc1ccc2c(c1)CCN(CCC#Cc1cccs1)C[C@@H]2O 1857563049 NLXXEMAPTZDYSO-IBGZPJMESA-N 327.449 3.090 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]2C)[C@@H](O)C1=O 238742166 OYZPDCNJODPOBW-DGIYKDOWSA-N 334.456 3.443 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CCC(C)=C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 263636273 DTOFRQNTRKNUMY-YVWLRWESSA-N 346.423 3.250 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2ccc(C(=O)O)cn12 587912521 QZNRROJTAREUHO-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF C=C1C2=CC(=O)[C@@H](C)[C@]1(C)CC[C@]1(C)O[C@H]1CC[C@@]1(C)O[C@@H]1C2=O 169642301 SSFZHIUXTRJVFK-TUVKJQHJSA-N 330.424 3.152 30 1 EGEF CCn1nc2cc(N/C(C)=C3\C(=O)C=C(C)OC3=O)ccc2c1Cl 1857577149 MRELKFSWHOBDEX-XNTDXEJSSA-N 345.786 3.425 30 1 EGEF C=C1CC[C@H]2C[C@@H](OC(=O)C2=C)[C@](C)(O)CCC=C(C)CC[C@@H]1O 2356541442 DCUOGCPPMKAPLI-PNYFIKQUSA-N 334.456 3.443 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3C[C@H](O)C(C)=CCCC(C)=CC[C@H]12 2356674232 ZRITUCVRNQEAPN-LYYGHALDSA-N 332.440 3.459 30 1 EGEF C=C(C)CNc1ncnc2sc3c(=O)n(-c4ccccc4)cnc3c12 71296104 OUMPJKLCJUSVBG-UHFFFAOYSA-N 349.419 3.378 30 1 EGEF N#Cc1cccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(O)c2)c1 211235103 BETQLHPKQHQCDA-NSLJXJERSA-N 333.343 3.224 30 1 EGEF C=C[C@@H](O)C#CC#CC[C@@H](O)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@@H](C)[C@@H](C)CC 238741598 ZCKMUKZQXWHXOF-JUAQWZRASA-N 348.527 3.243 30 1 EGEF C=C1[C@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H](C(C)C)[C@@H]2/C(=C\C)C(=O)C[C@@H]12 238779030 KNXRRYNSMUERBP-UBHULIGYSA-N 332.440 3.219 30 1 EGEF C=C1C[C@@]23COC(=O)C2=CCC[C@@H]3C[C@@]12C[C@@H](c1ccoc1)OC2=O 238752452 VKZZVTSIYSLAJA-NVRFMJDISA-N 340.375 3.484 30 1 EGEF CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 253697562 AXKPRXFZRFZHFB-RJOZEALSSA-N 339.479 3.273 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(NC(N)=S)c(O)c1 587919761 VMVYFUWNISTTKE-UHFFFAOYSA-N 332.812 3.110 30 1 EGEF C#C[C@@H]1CCC[C@]2(C1)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N21 962671252 SEFOJKHYIKIJNS-YDFBLROQSA-N 348.446 3.352 30 1 EGEF CN(Cc1ccc(C#N)cc1)c1cc(C(=O)Nc2ccccc2)ncn1 1772606559 PGQZGHNSCIVJIH-UHFFFAOYSA-N 343.390 3.237 30 1 EGEF C=C1CC(=O)/C=C(\C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 169370205 RGTPNNMQGBLXOP-WYFGYHAVSA-N 330.424 3.285 30 1 EGEF CC(C)[C@H](CO)NCc1cccc(C#Cc2ccc(Cl)cc2)n1 204415295 XUNCSEOUCQXDCD-IBGZPJMESA-N 328.843 3.241 30 1 EGEF O=C1C2=C(O[C@H](c3cn(-c4ccccc4)nn3)C2)C(=O)c2ccccc21 1857773375 GLDCVIOJRZWUGE-KRWDZBQOSA-N 343.342 3.062 30 1 EGEF CC(C)C1=C[C@H](O)[C@](C)(O)CCC=C(CO)CC[C@@H]2O[C@@]2(C)CC1 2356400575 CTMXVBYCUXIQDP-HAGHYFMRSA-N 338.488 3.111 30 1 EGEF CC(=O)[C@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356633148 ZGODLWLWPALTFR-QSXYEBRMSA-N 328.452 3.470 30 1 EGEF C[C@]1(CF)C=C(/C(S)=N\CCC#N)c2cc([N+](=O)[O-])ccc2O1 26402326 DRQYNLODWXEJBU-OAHLLOKOSA-N 335.360 3.341 30 1 EGEF Cc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1O 587887712 ZPCAQGVQHAISJY-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF COc1ccc(Cl)cc1C#CCc1ccc(S(C)(=O)=O)cc1 587917886 VBHMAPUMPIWQEO-UHFFFAOYSA-N 334.824 3.346 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C#N)n2)N1 587767809 BERAFLYANXIFEL-ABKXIKBNSA-N 346.203 3.478 30 1 EGEF CC1=C[C@]2(C=CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 587818456 DKLAUGRADABWQY-QFYYESIMSA-N 336.204 3.403 30 1 EGEF N#Cc1cc(Br)c2[nH]c(-c3cnc(C#N)s3)nc2c1 587021870 SOMUUHAIPGXWHK-UHFFFAOYSA-N 330.170 3.192 30 1 EGEF C=C1C(=O)OC[C@@H]1[C@H](O)c1cn(Cc2ccccc2)c2ccccc12 1857547788 JQQWSATWNPDPGK-AZUAARDMSA-N 333.387 3.452 30 1 EGEF C=CCN1C(SCc2ccccc2C#N)=NN/C1=C1/C=CC=CC1=O 104013982 HXMURUDZIHMWPB-FBMGVBCBSA-N 348.431 3.060 30 3 EGEF Cc1nn(C)c(O)c1/C(=N/C(=O)C(F)(F)F)c1cccc(Cl)c1 29481035 NEKXLLMRRJISAE-YBFXNURJSA-N 345.708 3.014 30 1 EGEF CN[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21CO 2356511635 GNHGBSZVNIWLJP-LNLPUAQXSA-N 343.511 3.491 30 1 EGEF COc1ccc(OCC#N)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587387266 PJZYNUKKQWKAQO-GOSISDBHSA-N 338.363 3.195 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(N2CCNC2=O)c1 587905308 PRVMMNAZZCEHBC-UHFFFAOYSA-N 326.783 3.278 30 1 EGEF O[C@H](CNc1nc2ccccc2s1)CON=C(C1CC1)C1CC1 11422295 PYPOMZTYAJHLIY-CYBMUJFWSA-N 331.441 3.262 30 1 EGEF CCn1nc(Cl)c2ccc(N/C(C)=C3\C(=O)C=C(C)OC3=O)cc21 1857554982 FDBSALAHLWARFJ-XNTDXEJSSA-N 345.786 3.425 30 1 EGEF C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)C=CCC(=O)OC 1857609681 KJHMKRHEJWSQIB-KBXCAEBGSA-N 347.411 3.404 30 1 EGEF CC1=CC(=O)C=C(O)/C1=C1/ONC(C(F)(F)F)=C1c1cscn1 100429782 PLAHUEGBVNTAHL-ZRDIBKRKSA-N 342.298 3.176 30 3 EGEF N#Cc1c(N)nc(S[C@@H]2CCCCC2=O)c(C#N)c1-c1ccco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c1ccc(C[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1N 13780613 QAVHCLCZUWMISC-AWEZNQCLSA-N 342.395 3.153 30 1 EGEF Clc1ccc(-c2[nH]c3ccccc3c2/C=N/NC2=NCCN2)cc1 165949409 RQSHROPURRKMOF-SSDVNMTOSA-N 337.814 3.371 30 1 EGEF C[C@H](Cc1ccc(OCc2ccc(C#N)cc2)cc1)N(C)CC(=O)O 1857769229 BVKWXBLWSYJWAS-OAHLLOKOSA-N 338.407 3.085 30 1 EGEF COC1=CC(=O)c2c(COc3ccc(F)cc3F)c(C)n(C)c2C1=O 28864323 LZLIOFVOARODLE-UHFFFAOYSA-N 347.317 3.100 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC[C@](C)(O)C=CC[C@]3(C)O[C@H]3C[C@H]12 2356561133 QMKCRYHPZVAORM-JOMPHRNESA-N 332.440 3.459 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(CO)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356628978 NMFLQFIFJRTHHO-SQNIBIBYSA-N 346.423 3.011 30 1 EGEF C=C(C)[C@H]1Cc2cc3c(cc2O1)C(=O)c1cc(O)c(C)c(O)c1C3=O 15251587 FAHDUJDGJHDZMN-OAHLLOKOSA-N 336.343 3.061 30 1 EGEF biogenic C=C[C@@]1(C)C[C@@]2(OC[C@@]3(C)O[C@H]32)Oc2c1c(=O)oc1cccc(C)c21 36374429 AWNULKZWGIHZJH-IYWMVGAKSA-N 340.375 3.212 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cncc(OC(=S)N(C)C)c1 587919874 ZKEAWOOGHXLPCC-UHFFFAOYSA-N 346.839 3.369 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn(C2CC2)c1 587885751 SGGPBOVWQNDJFR-UHFFFAOYSA-N 348.233 3.235 30 1 EGEF C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)C1=O 587038428 HRYYECNNCNDKDK-NSHDSACASA-N 344.440 3.048 30 1 EGEF CC(C)C1=C[C@H](C=O)[C@@H]2C(=C1O)OC(=O)[C@]21CCCC(C)(C)[C@H]1C=O 2356456540 IKFUOVBMEQRIIS-IEUIXRIBSA-N 346.423 3.352 30 1 EGEF C#Cc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1O 114336643 HFFGJIJZKRLHOZ-LJQANCHMSA-N 346.434 3.326 30 1 EGEF C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@@H](C)[C@@]12C 2356624122 RRRSBSBOBMCFGX-RNZYYVGPSA-N 332.396 3.358 30 1 EGEF C=C1C(=O)O[C@H]2C[C@]3(C)O[C@@H]3CC/C(C)=C\[C@H](OC(=O)/C(C)=C/C)[C@H]12 238789503 DTOFRQNTRKNUMY-ZVOJGFBWSA-N 346.423 3.250 30 1 EGEF C[C@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)c1ccccc1C(F)(F)F 587096994 GCLGGTCFSWHYKO-QMMMGPOBSA-N 342.284 3.267 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3O[C@@H](CC#N)C[C@H]31)O2 587385757 GBOCPXKDCORCRG-HBMYEMETSA-N 326.396 3.153 30 1 EGEF CC(C)(C)OC(=O)N1CC(c2[nH]c3c(C(=O)O)cccc3c2C#N)C1 587639394 UMFBDZVSQTUUOH-UHFFFAOYSA-N 341.367 3.072 30 1 EGEF CS(=O)(=O)Nc1ccc(-c2nc3c(Cl)cc(C#N)cc3[nH]2)cc1 586950195 BZEVIVSLPDSXDA-UHFFFAOYSA-N 346.799 3.126 30 1 EGEF C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4c(ccc(O)c4F)[C@H]3[C@@H](OC)C[C@@]21C 13651613 VMXVMTLLLCLNKI-NIOPCZSGSA-N 344.426 3.377 30 1 EGEF C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/C[C@H](OC(=O)CC(C)C)[C@@]1(C)O[C@@H]21 156769944 FFCNNRVCNZPRLJ-QBCBYSJYSA-N 348.439 3.330 30 1 EGEF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](O)C(C)=CCC=C(C)CC[C@@H]2O 2356539430 OASCGMGKXPPAEW-DMUMMCEESA-N 334.456 3.443 30 1 EGEF COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(OC(F)(F)F)cc2)C[C@H]1C 27327882 MCHBEHPBWGBBDV-OTYXRUKQSA-N 343.301 3.279 30 1 EGEF C=CCC1=C[C@]2(OC)C(=CC1=O)O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 13434859 GGRIWHJBFXFKGS-OCCQLPPTSA-N 340.375 3.477 30 1 EGEF biogenic NOS(=O)(=O)Cc1cccc2cccc(Nc3ccccc3)c12 95535553 JMSITWHQYYYFIW-UHFFFAOYSA-N 328.393 3.304 30 1 EGEF COc1ccc(C2(/C(S)=N/CCCn3ccnc3)CC2)cc1OC 13679652 HNOOCSFLRCFDKF-UHFFFAOYSA-N 345.468 3.351 30 1 EGEF CCCCCCCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C(N)=O 169308241 ZYYNLKCPTZVIPQ-UHFFFAOYSA-N 331.372 3.048 30 1 EGEF C=CCN(CC)CCOCC(O)(c1ccccc1)c1ccccc1 169328605 VBEPHTALWQMHGF-UHFFFAOYSA-N 325.452 3.447 30 1 EGEF Cc1coc2c1C[C@]1(C)[C@H](CC[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]1C)C2=O 2356427726 LESDSDOYPJTSBW-PRBODJJNSA-N 346.423 3.468 30 1 EGEF C=C1[C@H]2CC[C@]3(O)[C@]4(C)CCC[C@](C)(C(=O)OC)[C@H]4CC[C@@]3(C2)[C@H]1O 2356686628 NEQNPJRJYTVQSB-IAVDWNJYSA-N 348.483 3.214 30 1 EGEF C/C(=N\NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccncc1 38823541 XIBLYFPGLDPEFG-CIAFOILYSA-N 328.485 3.239 30 1 EGEF C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2CC1 43068427 LKLFXWMFYTWMGH-ZLVVMHGBSA-N 333.472 3.308 30 1 EGEF Cc1ccc2c(c1)/C(=C1/Nc3cc(F)c(F)cc3/C1=N\O)C(=O)N2 299867171 XOPFYECVVHCSHP-NSWVJOTCSA-N 327.290 3.240 30 1 EGEF CC1=C[C@]2(C=CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 587822276 JPKKCQKASOMNOL-HWPZZCPQSA-N 336.204 3.403 30 1 EGEF COC(=O)CC(=O)c1ccccc1C#Cc1cc(Cl)ccc1OC 587901702 OAUAJZVQFRXKGT-UHFFFAOYSA-N 342.778 3.494 30 1 EGEF COc1ccc(CNc2nc(C#N)nc3c2ncn3C2CCCC2)cc1 14977780 OQBOMLCSQVWCDY-UHFFFAOYSA-N 348.410 3.434 30 1 EGEF CN/C=C(\C(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 5502630 HNSDIMXSKNMTRC-VBKFSLOCSA-N 327.380 3.156 30 1 EGEF COc1ccc(/C=C/C(=O)c2c(O)cccc2OC)c(OC)c1OC 103249326 PPOLDGGJGCRDIM-CSKARUKUSA-N 344.363 3.323 30 1 EGEF C=C[C@@]1(C)CC[C@H]2C(C)(C)[C@H]3C=C4C=C(OC)OC(=O)[C@@H]1[C@@]42OC3=O 101640934 WEROHVUUBZUWOZ-RAQRGPQBSA-N 344.407 3.128 30 1 EGEF CC=C(C)C(=O)OC1=CC(C)=CCC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356627563 NATYHFZQSYHMDF-AWOJCUAASA-N 346.423 3.455 30 1 EGEF O=C(CCCCCN1C(=O)c2ccccc2Nc2ccccc21)NO 36475901 DQKFCIDCLSWKGA-UHFFFAOYSA-N 339.395 3.456 30 1 EGEF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCCCC4)[C@H]3[C@H]3O[C@]132 82052949 GNFFPCUYQGMTPA-JLKUWVSASA-N 347.499 3.388 30 1 EGEF COc1ccc([C@@H]2CC(=O)C(I)=CO2)cc1 84669700 GCUUMESROSBGHR-LBPRGKRZSA-N 330.121 3.002 30 1 EGEF N#CC1(n2cc([C@@H](NC(=O)c3ccsc3)C3CCCC3)nn2)CC1 95564318 USNWJLWGIJOKEM-HNNXBMFYSA-N 341.440 3.014 30 1 EGEF O=CC(C=O)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587262520 VUSNKEZCRIWKHX-UHFFFAOYSA-N 343.726 3.273 30 1 EGEF CCCNC(=O)c1cncc(C#Cc2cc(Cl)ccc2OC)c1 587907543 BEDHGTJSOSLTFN-UHFFFAOYSA-N 328.799 3.283 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 100780429 QFINJHBXXJQKPB-PNCDMZRBSA-N 346.423 3.010 30 1 EGEF endogenous,in-man C#Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 28884231 GLTPUKUIXKJJPT-UHFFFAOYSA-N 341.366 3.366 30 1 EGEF C/C=C(\C)C(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)C(=O)C=C[C@@]3(C)CC[C@H]21 38230437 SSCJYULVYLIUJD-BJQLOOPHSA-N 344.407 3.052 30 1 EGEF C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)O)=CC[C@H]23)C[C@@H](O)C[C@@H]1O 40564931 XSFIVMKHHUNCGU-IBUGJVPDSA-N 330.468 3.428 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(CP(=O)(O)O)c1 587917711 QYSLIIAYCBNXOP-UHFFFAOYSA-N 336.711 3.426 30 1 EGEF Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587885777 DLKVOOLOWVHTHD-UHFFFAOYSA-N 333.218 3.286 30 1 EGEF C=CCc1cc2oc3cc(OC)cc(O)c3c(=O)c2c(OC)c1O 1857614167 XZLMDSWNJXWSCR-UHFFFAOYSA-N 328.320 3.103 30 1 EGEF Cn1ccc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)n1 113880354 XIUFLCIKFANRKL-UHFFFAOYSA-N 345.410 3.093 30 1 EGEF CC=C1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]12C 2356613639 SNBODTQYFCSFKC-BKNCWVDASA-N 332.484 3.486 30 1 EGEF CN1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(-c2ccc(C#N)cc2)c1 61942310 WJORHBMJOXIDNJ-ACRUOGEOSA-N 333.435 3.464 30 3 EGEF O/N=C(\NCc1ccccn1)c1ccc(Oc2ccc(F)cc2)nc1 72186552 VIDIKLLTGXMPGP-UHFFFAOYSA-N 338.342 3.334 30 1 EGEF Cc1ccc2c(c1C(=O)/C=C/C(C)(C)O)C(=O)C(O)=C(C(C)C)C2=O 34469473 HCMMKFNRHBDGCW-CMDGGOBGSA-N 342.391 3.352 30 1 EGEF O=C1Nc2cc(Br)ccc2/C1=C1\Nc2ccccc2C1=O 223391743 BUPAMFGRFQGRCA-BUHFOSPRSA-N 341.164 3.421 30 1 EGEF CCC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2cccc(C)c2)[C@@H]1CO 95667390 FRJATLFDSIFXLK-IRFCIJBXSA-N 334.419 3.251 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cn(C)c2ncnc(OC)c12 587911404 RSWXBPLZLZYSLL-UHFFFAOYSA-N 327.771 3.039 30 1 EGEF N#Cc1c(N)cccc1S(=O)(=O)c1cc(Cl)ccc1Cl 5932902 CJONEASJFMEVCJ-UHFFFAOYSA-N 327.192 3.280 30 1 EGEF CC1=C2[C@@H](O)C(=O)O[C@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C 9186907 XQOSNJUURCKQGN-LNBDIPNDSA-N 344.451 3.197 30 1 EGEF C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)C=CC(=O)[C@@]3(C)CC[C@@H]21 85889258 LYOAWHWPLHHFLL-MIOOAHFGSA-N 344.407 3.052 30 1 EGEF O=C(O)[C@H]1CCCN(CCO/N=C/c2csc3ccccc23)C1 1857556056 OGGIJWNSYFMGCE-SGPNVBEDSA-N 332.425 3.048 30 1 EGEF C=C1CC[C@](C)(C=O)CC[C@H]2C(=CC=CC(C)(C)O)COC(=O)[C@H]12 2356391596 UDXXPMHZVKAWCF-QKLQHJQFSA-N 332.440 3.365 30 1 EGEF CC1=CCC[C@](C)(O)C=C[C@](O)(C(C)(C)O)CC[C@]2(C)O[C@@H]2CC1 2356797465 NZAOFLDYDBJCSL-BTHPGYMESA-N 338.488 3.254 30 1 EGEF Cc1ccc(Nc2c(C#N)n(O)c3cc(Cl)ccc3[n+]2=O)cc1 377841347 AGZPKHOCPDWVLF-UHFFFAOYSA-N 327.751 3.370 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc([N+](=O)[O-])c1CCO 587901039 XKNCIIQNXHPULY-UHFFFAOYSA-N 331.755 3.191 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc2nc(C)c(C(=O)O)n12 587912187 CJNYAQNYENMLPR-UHFFFAOYSA-N 340.766 3.403 30 1 EGEF CCOC(=O)[C@H](C#N)[C@@]1(CC)c2ccc(F)cc2C[C@@H]2CCCN21 963103619 NVPGAUVXXJTTKF-VDZJLULYSA-N 330.403 3.154 30 1 EGEF C#CCOc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC#C)CC3 13532259 NDIDPWPAWPAYHT-RCZSKKKRSA-N 333.431 3.030 30 1 EGEF N#Cc1nc(NC2CCCCC2)c2ncn(Cc3ccccc3)c2n1 14977757 MJSSCFDEXZRCPV-UHFFFAOYSA-N 332.411 3.491 30 1 EGEF C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@]3(O)C2)[C@H]1O 15046665 OEPGCNCCBRXILY-YMXKOMRESA-N 334.456 3.126 30 1 EGEF biogenic C[C@@H]1CCCC(=O)CCC[C@H]2O[C@H]2c2cc(O)cc(O)c2C(=O)O1 2356723051 XKWUXCYGZAULIC-FNDUUJAJSA-N 334.368 3.006 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356767131 QFINJHBXXJQKPB-BRSBDYLESA-N 346.423 3.010 30 1 EGEF Cc1n[nH]c(=O)c2c1c1cc(F)ccc1n2Cc1ccc(C#N)cc1 84732218 JRAGSJGRESNZLQ-UHFFFAOYSA-N 332.338 3.245 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccnc1F 587895690 JOHIFXMJTALONX-UHFFFAOYSA-N 337.181 3.238 30 1 EGEF CNCCc1cc(C#N)cc(OCc2ccc3c(C)cc(N)nc3c2)c1 1772581225 QKCPYJJSYKWGHS-UHFFFAOYSA-N 346.434 3.338 30 1 EGEF N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1nc2ccccc2o1 13680833 KIIFUHXEHAZLMN-QWHCGFSZSA-N 329.425 3.366 30 1 EGEF Cc1cc(=O)oc2cc(OC/C=C/C3=CC(=O)C(C)(C)O3)ccc12 13819830 AXIRQRZVUWCTCT-SNAWJCMRSA-N 326.348 3.298 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)CC(C)=CCC[C@]1(C)O[C@H]21 2356413544 CTGZTWRVWWXORU-JYRGBDFSSA-N 348.439 3.330 30 1 EGEF CCCCN(C)CCCCCCCCC(=O)N(O)CCC(=O)O 58576232 WAWASSGKSDKJEA-UHFFFAOYSA-N 330.469 3.142 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCCC(C)=CCC[C@]3(CO)O[C@H]3C[C@H]12 2356579083 PRUIDJLINDRLON-FTEYMNFISA-N 332.440 3.461 30 1 EGEF C=C1CCC=C(COC(=O)[C@H](C)CC)C(=O)C[C@@H]2[C@@H]1C[C@@]2(C)CO 2356595181 VZGQXACVDHDZIF-RKURPORMSA-N 334.456 3.446 30 1 EGEF COc1ccc(CCNC(C)=C2C(=O)C[C@@H]3[C@@H]2C3(C)C)cc1OC 2356605194 XIURQJMAEMJWEL-KUHUBIRLSA-N 329.440 3.355 30 1 EGEF CCCCCCCCCCCCCCNC(=O)[C@H](CO)NC(C)=O 43024672 SKLFOFISPCBONH-SFHVURJKSA-N 342.524 3.301 30 1 EGEF N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 96258204 DEJLPRSKSNGMCR-UHFFFAOYSA-N 335.388 3.421 30 1 EGEF CNc1nc(C)c(-c2nc(Nc3cccc(O)c3)ncc2C#N)s1 95596931 NYRVLHGVDPPWJS-UHFFFAOYSA-N 338.396 3.271 30 1 EGEF in-vitro N#CN/C(=N\c1ccc2nnsc2c1)NCCC1CCCCC1 95581571 GKIBNSAQKNKDHB-UHFFFAOYSA-N 328.445 3.309 30 1 EGEF O=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@H]([C@H]2CCC(=O)O2)C1 653780772 MBHNJSJYNWLBSY-LSDHHAIUSA-N 336.343 3.158 30 1 EGEF C=CCc1cccc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c12 587232449 XCLYVMUVBQYGDV-JKSUJKDBSA-N 341.455 3.328 30 1 EGEF C=CCN1C(=O)S[C@@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)C1=O 587037982 BPQDVDZZFKAQNE-AWEZNQCLSA-N 341.436 3.234 30 1 EGEF CCc1nc(N)nc(N)c1C#C[C@H](C)c1ccc(-c2ccccc2)nc1 169308651 JKSKINFMKRSXHC-AWEZNQCLSA-N 343.434 3.421 30 1 EGEF COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCCN(C)C 103167710 YIQANXGWCZCRHR-SFQUDFHCSA-N 337.419 3.458 30 1 EGEF CC=C(CO)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@H](C)[C@]13C 2356541243 HIPQZGAHMOISRN-JNMNEPPASA-N 346.423 3.241 30 1 EGEF CC=CC=CC(O)=C1C(=O)[C@@]2(C)C(=O)[C@](C)(O)[C@H]1C[C@@H]2OCCCC 2356602983 SSIULBZZANASKU-OASIQESESA-N 348.439 3.045 30 1 EGEF CC(C)(C)C(=O)N[C@H](C(=O)NO)c1ccc(-c2ccccc2F)cc1 653794432 RDKDEZKWLSIEGE-INIZCTEOSA-N 344.386 3.202 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(O[C@@H](C)C(N)=O)cc1 587908058 SYCJUZSESMRDIZ-LBPRGKRZSA-N 329.783 3.001 30 1 EGEF Cc1cccc(C)c1Nc1nc(N)nc(Nc2ccc(C#N)cc2)n1 3605807 GUVPBHDDZCZTQO-UHFFFAOYSA-N 331.383 3.430 30 1 EGEF C/C(=N\NC(=S)Nc1cc(C)ccn1)c1ccc([N+](=O)[O-])cc1 49071425 PAJQZXISCGECET-WOJGMQOQSA-N 329.385 3.009 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2[nH]c(C(=O)O)cc2c1 587910387 YAOUVZHQBAHFRE-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF CCNC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c(N)c1 587900330 KUGBZUSHXIDHIN-UHFFFAOYSA-N 328.799 3.080 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)nc2)N1 587770943 LBMPJTWKSUSQQT-ABKXIKBNSA-N 346.203 3.478 30 1 EGEF O=C(CCCCCCNC(=O)c1cc2cc(Cl)ccc2o1)NO 13490071 NXOIUEIVRYARFG-UHFFFAOYSA-N 338.791 3.272 30 1 EGEF Cc1ccc(-c2cnnc(N3CC[C@@H](c4cccc(C#N)c4)C3)n2)o1 103227018 JNWRTVZWGHBDDI-MRXNPFEDSA-N 331.379 3.306 30 1 EGEF CN1c2ccccc2C(=O)N2CCc3c(n(CC#N)c4ccccc34)[C@@H]21 64448333 BJDHZUGCQQUEAC-HXUWFJFHSA-N 342.402 3.312 30 1 EGEF C=C[C@@H]1C(C)(C)C(=O)[C@H]2C[C@@]1(C)[C@@H]1[C@@H]2O[C@@H]2C(=C(C)C)C(=O)O[C@H]21 2356553939 NKPVPBRRTXGXPI-QWLDTNRWSA-N 330.424 3.069 30 1 EGEF C=C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1cccc(SC)c1 2356641574 UVGODZFGOFTLTJ-YCPHGPKFSA-N 331.485 3.426 30 1 EGEF OC[C@H](O)C#CC#CCCCCCCCCC=CBr 2356741232 WPDBFRMBTCLQRW-MRXNPFEDSA-N 327.262 3.376 30 1 EGEF N#Cc1nn(-c2ccc(/N=N/c3ccccc3)cc2)c(=N)c(C#N)c1N 45299076 POSVIZLQGIAESG-DYYCZBJJSA-N 340.350 3.093 30 1 EGEF Cc1n[nH]c(=O)c2c1c1cc(F)ccc1n2Cc1cccc(C#N)c1 84758475 MPFTXOBQQQNMQZ-UHFFFAOYSA-N 332.338 3.245 30 1 EGEF C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@]4(C)C(=O)[C@H](C#N)C[C@@]35C)[C@@H]1CC[C@@H]2O 299847706 BVWBEKKUVJYZSX-BDWWLHETSA-N 343.467 3.230 30 1 EGEF C=C1C(=O)C[C@]2(C[C@@H]1OC(C)=O)[C@@H](C(=O)OCC)CC[C@H]2C(C)C 653788026 NHLHPVHKJNWBNL-JHDROBOHSA-N 336.428 3.069 30 1 EGEF N#Cc1ccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)cc1 200827978 VXRFFZKRLBTBEX-UHFFFAOYSA-N 329.315 3.291 30 1 EGEF C=C1C[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)C(C)=CC)C=C(C)CCC1=O 2356486538 WCTVCSTUKQFAEX-OKZBNKHCSA-N 344.407 3.218 30 1 EGEF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C=CC1=C[C@@H](O)OC1=O 2356589112 AJJYJDWULCXJIR-XNWPKKHHSA-N 330.424 3.322 30 1 EGEF C=C(CC[C@H](C=C[C@@](C)(O)CC(=O)OC)C(C)C)[C@@H]1CCC(=O)O1 2356710480 FXGAQFNYCJXRIU-JTDSTZFVSA-N 338.444 3.171 30 1 EGEF COc1ccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)cc1 40829486 DDGCIAFSNRBHQK-GIJQJNRQSA-N 330.413 3.271 30 1 EGEF C#CCn1c(O)c(N=NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 253947669 QUNPSFIWEMCYCC-KRWDZBQOSA-N 333.347 3.324 30 1 EGEF COc1cc(OC)c(C(=O)C=Cc2ccc(O)c(OC)c2)c(OC)c1 2356609454 BAHHZVVNFAOLAZ-UHFFFAOYSA-N 344.363 3.323 30 1 EGEF COc1ccc(C=CC(=O)c2c(O)cc(OC)c(O)c2OC)cc1 2356634698 JWFZPJWPSOPULW-UHFFFAOYSA-N 330.336 3.020 30 1 EGEF C=C(C)CNc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C 222445386 NQJCNHBXICRIPG-UHFFFAOYSA-N 347.422 3.207 30 1 EGEF O=C(/C=C/c1cccs1)c1cccc(O)c1CN1CCOCC1 40916345 ACOPTMLBIBZZEX-VOTSOKGWSA-N 329.421 3.182 30 1 EGEF CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(C#N)c3[nH]2)C(F)(F)C1 587131646 ASLLTDXLMWBHAE-LLVKDONJSA-N 348.353 3.404 30 1 EGEF Nc1ccnc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc12 586909002 DEXPIAJDLJRWLX-QGZVFWFLSA-N 342.443 3.190 30 1 EGEF Cc1cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)n1 587888807 AYVZOBBQOFSMHS-UHFFFAOYSA-N 348.233 3.111 30 1 EGEF CC(C)=CC[C@@H]1C(=O)C(C(=O)C(C)C)=C(O)[C@]1(O)C(=O)/C=C/C(C)C 1642676728 VFOIIASOCMWQKR-HZKCSVFLSA-N 348.439 3.091 30 1 EGEF O=c1[nH]cccc1[C@](C#CC1CC1)(OCc1cccnc1)C(F)(F)F 5932829 DPMJDHCVDUDNHY-KRWDZBQOSA-N 348.324 3.158 30 1 EGEF C/C(=N/NC(=S)N1CC=C(c2ccccc2)CC1)c1ccccn1 169314811 QITDQAGAOLWKEI-QNGOZBTKSA-N 336.464 3.469 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3C=CC(=O)[C@]3(C)[C@H](OC[C@@H](C)CC)[C@H]12 2356430110 GOJTXXYQSISDGW-QNTAIBEHSA-N 332.440 3.317 30 1 EGEF COC(=O)c1sc2cc(C#Cc3ccc(OC)cc3)cnc2c1N 66079654 BRPBXMJVXBKUMW-UHFFFAOYSA-N 338.388 3.074 30 1 EGEF N/C(=N\c1nc(-c2ccccn2)cc2ccccc12)c1cnccn1 27552622 TYTPSCRYPYNZCL-UHFFFAOYSA-N 326.363 3.124 30 1 EGEF Cc1ccc(N2CCN(C3=CC(=O)c4ccccc4C3=O)CC2)cc1 71281998 WZHGXACVFYJGOS-UHFFFAOYSA-N 332.403 3.080 30 1 EGEF CC(=O)Nc1nc(CCc2ccc(/N=C3\NCCS3)cc2)cs1 95583375 HCJSGSZYUCJIGN-UHFFFAOYSA-N 346.481 3.211 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)ccc1-c1n[nH]c(=N)o1 587916619 OKWSGXGYBSNBPO-UHFFFAOYSA-N 343.745 3.350 30 1 EGEF C#Cc1ncccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881157 HOPLGIUGQUTFPL-UHFFFAOYSA-N 343.213 3.080 30 1 EGEF CC(C)C1=NN[C@](C)(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 28710435 KUIHXXRYHIPZIB-HNNXBMFYSA-N 338.333 3.280 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](COC(=O)CC(C)C)[C@H]1CCC(=O)[C@@]12C 2356718239 OLKZJHSZHUGDSV-VVZOVNLRSA-N 348.439 3.069 30 1 EGEF CC1=CC(=O)C[C@H](C)C[C@@H]2OC(=O)C(C)=C3CC[C@@](C)(CC1)[C@@]32O 2356791721 IXGLBMQORNELCO-NLKHACGTSA-N 332.440 3.485 30 1 EGEF COc1ccccc1-c1cc(-c2ccc3c(c2)OCO3)[nH]c(=O)c1C#N 45319198 ARMIISTVPGEUKP-UHFFFAOYSA-N 346.342 3.318 30 1 EGEF C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H](O)[C@@H]1C3 238731785 NSRVTWFLOSHWDX-SROPKWAUSA-N 332.440 3.190 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc2c1c(C(=O)O)nn2C 587911079 HHDRGCCQWJSTDT-UHFFFAOYSA-N 340.766 3.333 30 1 EGEF COc1cc(C(=O)NC[C@@H](C#N)c2ccccc2)ccc1-c1cn[nH]c1 1772649699 RKGXRJNCSPXVMJ-MRXNPFEDSA-N 346.390 3.122 30 1 EGEF C/C(=N\OC[C@H](O)CNC(C)(C)C)c1ccc(Cl)cc1Cl 169328671 HTFGUCBGQWRUFE-AINDZBIGSA-N 333.259 3.483 30 1 EGEF COC(=O)c1cc2c(s1)C(=O)C=C(Nc1ccc(F)cc1)C2=O 28477145 BREIIANULOPSAA-UHFFFAOYSA-N 331.324 3.049 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)OC 2356559643 GKRMJALKMNRHGF-VSPHSBEKSA-N 330.424 3.254 30 1 EGEF C=C1CCC[C@](C)(O)CC[C@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@H]12 2356711775 XQXQDAKXKAWXRV-VPWXQRGCSA-N 334.456 3.300 30 1 EGEF C[C@H]1CC[C@H]2CC3=C(COC(=O)CC(C)(C)O)C(=O)C[C@]31C2(C)C 14637909 SWWHKTDRKCDGNL-KQHSUYLTSA-N 334.456 3.422 30 1 EGEF biogenic C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)CC(C)C)[C@@H]1CCC(=O)[C@]12C 238783797 OLKZJHSZHUGDSV-QCXRJLFJSA-N 348.439 3.069 30 1 EGEF Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 587897899 ZKQWCCARPLPMOJ-UHFFFAOYSA-N 339.247 3.348 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C#CC(C)(C)O)cc1)O2 587404187 PAYKFWXVNCSFFP-LJQANCHMSA-N 335.403 3.406 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c[nH]cc(Br)c1=N 587908430 VJZKLXARHZAZFY-UHFFFAOYSA-N 337.604 3.318 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CSC[C@H]2C#N)N1 587857081 KBCCIBIHGNXPGA-PJCOJXEDSA-N 341.249 3.204 30 1 EGEF CCc1nc(N)nc(N)c1C#C[C@@H](C)c1ccc(-c2ccccc2)nc1 169308650 JKSKINFMKRSXHC-CQSZACIVSA-N 343.434 3.421 30 1 EGEF C=C(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C 238767805 FBINAMHSQMBYIX-PVUDRZGPSA-N 330.424 3.420 30 1 EGEF Cc1nnc2c(C#N)c(-c3ccc(Br)cc3)nc(S)n12 96932760 RWTSRIHRLATEMM-UHFFFAOYSA-N 346.213 3.023 30 1 EGEF N=C(N)N/N=C/c1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1772603252 ABTXHXZEEZWLJH-UXQBEKABSA-N 326.787 3.053 30 1 EGEF C=CCO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O 13641995 SHCXLTGBNFTOJY-OAHLLOKOSA-N 336.800 3.459 30 1 EGEF N#Cc1c(N)nc(SCc2ccccn2)c(C#N)c1-c1ccco1 1857548997 MRUNWTOEZIGJBB-UHFFFAOYSA-N 333.376 3.354 30 1 EGEF CC1(C)CC(=O)C=C(c2ccc(-c3cccc(C(N)=O)c3)cc2)C1=O 61921069 JHYFYKPPIHVIDO-UHFFFAOYSA-N 333.387 3.404 30 3 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC(=O)C[C@H]2C)[C@@H](OC(=O)C(C)=CC)[C@H]1O 2356626394 WLNBDZUPCWZZJJ-AHPGETRFSA-N 334.456 3.443 30 1 EGEF C=C[C@](C)(O)C[C@@H](C=C(C)C[C@@H](C=C(C)C)OC(C)=O)OC(C)=O 2356677949 ZWCHRIPZSGWZAL-QRVBRYPASA-N 338.444 3.480 30 1 EGEF Cc1ncnc(-c2ccc(C3CC3)nc2)c1C#Cc1ccc(N)nc1 148558039 DVUPZDDWFHCDSN-UHFFFAOYSA-N 327.391 3.101 30 1 EGEF CCCc1c(O)ccc2c1O[C@](CC#N)(c1cnn(CC)c1)CC2=O 587474426 DTRRATACAAXXAH-IBGZPJMESA-N 339.395 3.335 30 1 EGEF Cc1cnc(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587880972 DJVWHVOAINULKF-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF C=C1C[C@H](CC(C)=CCOc2ccc3ccc(=O)oc3c2O)OC1=O 2356400323 WWTBMZAWBGEHRW-AWEZNQCLSA-N 342.347 3.086 30 1 EGEF C=C(C)[C@H]1C[C@@]23[C@@H](O1)O[C@]2(C)[C@@H](O)C=C(Br)C3(C)C 140218912 IFFQWLSMTXKDRZ-ONAWRNRTSA-N 329.234 3.132 30 1 EGEF C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)[C@H]4COC(=O)[C@@]4(O)C(C)(C)[C@@H]3CC[C@@]2(C)O1 238738956 CHSJHRGRADQFEP-ADOXLDBISA-N 348.483 3.477 30 1 EGEF CS(=O)(=O)c1ccc(C2=C(c3cncc(Cl)c3)C(=O)CC2)cc1 7001 IXSDWULMLBIFIX-UHFFFAOYSA-N 347.823 3.412 30 1 EGEF C[C@]12C(=O)C=C(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)CCO 2356358552 RJKJQHWLCLYSHD-FPRHZXHCSA-N 348.483 3.373 30 1 EGEF C=CCNc1nc2cc(-c3ccccc3OC)sc2c(=O)n1C 61896072 ZRXHHXSUVBFTNJ-UHFFFAOYSA-N 327.409 3.269 30 3 EGEF CCCCS(=O)(=O)Nc1ccc2c(c1)/C(=N\O)c1ccccc1-2 102936423 UICFBGNGAIMXNF-ZCXUNETKSA-N 330.409 3.435 30 1 EGEF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@H]3CC[C@@]12C 2356556419 AEURCGYCQQYILP-XYWBXWKWSA-N 332.440 3.175 30 1 EGEF COc1c(C(C)C)cc(O)c2c1[C@H](O)C[C@]13O[C@]1(C)C(=O)CC[C@@]23C 2356713717 QBHJRAARLLAAJD-ZNYHDOEXSA-N 346.423 3.110 30 1 EGEF N#Cc1ccc(Nc2nccc([C@@H](O)c3cc(F)ccc3F)n2)cc1 72114998 AYOXCDHCHKYZBP-KRWDZBQOSA-N 338.317 3.452 30 1 EGEF C=C1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=CC(=O)O[C@@H]1O 15050703 QLIQMMRUUKMPEX-PGABNPELSA-N 334.456 3.338 30 1 EGEF biogenic COc1cc(/C(=N/O)c2ccc(N(C)C)cc2)cc(OC)c1OC 474606946 IDVRUIQCMYZSIM-HTXNQAPBSA-N 330.384 3.005 30 1 EGEF CC1=C[C@@]2(C=CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 587818455 DKLAUGRADABWQY-MGPLVRAMSA-N 336.204 3.403 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc2c(=O)c(C#N)c[nH]c12 587911942 YZXMXNHIYHLXPG-UHFFFAOYSA-N 334.762 3.462 30 1 EGEF CC#Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587953562 MCCYRKVTILNYNS-UHFFFAOYSA-N 345.811 3.389 30 1 EGEF C[C@]12C(=O)C=C(O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)CCO 12493748 RJKJQHWLCLYSHD-ILWWQLNPSA-N 348.483 3.373 30 1 EGEF endogenous,in-man C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@H]1C(=O)O[C@@]2(C=CC=C(C)C)CO 2356443377 JYBJATPZXXGWRQ-QQBOBMDFSA-N 332.440 3.317 30 1 EGEF N#Cc1ccc(N[C@H]2CCc3ccc(C(=O)NO)cc3C2)cc1Cl 113845470 VBBLVDIRGKUPNB-HNNXBMFYSA-N 341.798 3.300 30 1 EGEF C=C[C@@H]1[C@H](C(=O)OC)CC[C@@H]2[C@@H]1CC[C@@H]1C(C)(C)[C@H](O)C(=O)C[C@@]12C 2356565100 OZCCIQWXTAYLLL-JLFDPBCSSA-N 348.483 3.380 30 1 EGEF Cc1cccc2oc(=O)c3c(c12)OC(C)(C)[C@@H]1CC[C@]2(C)O[C@H]2[C@@]31O 2356636920 ZSDCIXREXUHWAF-MJBIGMRFSA-N 342.391 3.028 30 1 EGEF CC(=O)[C@@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@H]2C1 299804476 CWLAYYXVQIWWAE-NDBYEHHHSA-N 342.391 3.134 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)C2CC2)nc1 587908035 KOICLJVSYWJYTP-UHFFFAOYSA-N 326.783 3.492 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(N2CCOCC2)c(C)c1 587909564 USYNGVCRENSMMF-UHFFFAOYSA-N 342.826 3.288 30 1 EGEF C[C@]1(C(C#N)C#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341881 ZDVFENDHDVHWCH-PKOBYXMFSA-N 336.322 3.312 30 1 EGEF C=Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587885405 GTUZMRHCRFFVCX-UHFFFAOYSA-N 334.206 3.001 30 1 EGEF CC(C)NC[C@H](O)CO/N=C1\CCCOc2c1ccc1ccccc21 13976882 JOKHSKJBGWQZFC-QKDOTCOFSA-N 342.439 3.092 30 1 EGEF COc1cccc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)c1 26479477 VBIMIHNKOBZASA-UHFFFAOYSA-N 340.788 3.063 30 1 EGEF COc1cc(OC)c(OC)cc1C=CC(=O)c1c(O)cccc1OC 2356488900 CPMSKLLYXILFHA-UHFFFAOYSA-N 344.363 3.323 30 1 EGEF CC1=CCC[C@](C)(O)[C@H]2C=C(C(C)C)[C@@H](O2)[C@H](O)[C@]2(C)O[C@@H]2CC1 2356808383 YSTOWRLUHRESQI-QONVVCGCSA-N 336.472 3.126 30 1 EGEF COc1ccc(C(=O)/C=C/C(=O)Nc2cc(OC)cc(OC)c2)cc1 95587616 AQXPQGMTJIIWJQ-CMDGGOBGSA-N 341.363 3.090 30 1 EGEF COc1cc(/C=C\c2nc3cc(Cl)nc(C#N)c3[nH]2)cc(O)c1O 587786284 SHWKFDWCPLGZCE-IHWYPQMZSA-N 342.742 3.073 30 1 EGEF Cc1c(C(=O)c2coc3cc(C#N)ccc23)nnn1Cc1ccccc1 587278279 MJBGPZDUHNUMEJ-UHFFFAOYSA-N 342.358 3.484 30 1 EGEF N#Cc1nc(Cl)cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 587052512 DBCAMMGBSDWACG-SECBINFHSA-N 348.193 3.084 30 1 EGEF C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)/C(C)=C\C)/C=C(/C)CCC1=O 169369412 WCTVCSTUKQFAEX-QEXYWXBQSA-N 344.407 3.218 30 1 EGEF Cc1cnc(-c2ccc([C@@H](C(=O)NO)c3ccccc3F)cc2)nc1 1857588870 XRYDRNDHGYJSIH-QGZVFWFLSA-N 337.354 3.228 30 1 EGEF C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@@H](C)C=CCC(=O)OC 1857609683 KJHMKRHEJWSQIB-KSSFIOAISA-N 347.411 3.404 30 1 EGEF CC(C)C[C@H](N[C@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NCC#N 1857753061 VURVFQCQBXKLJQ-UONOGXRCSA-N 345.340 3.073 30 1 EGEF C=C[C@@H]1C(C)(C)C(=O)[C@H]2C[C@@]1(C)[C@@H]1[C@@H]3OC(=O)C(=CC)[C@H]3O[C@@]21C 2356434585 WYOPVCJAKMHFLL-HCOUVRTJSA-N 330.424 3.069 30 1 EGEF C[N+](C)(C)CC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 28902715 ANYPXMZOOFVUQB-UHFFFAOYSA-O 346.410 3.091 30 1 EGEF C=C[C@H]1C(C)(C)C(=O)[C@H]2C[C@]1(C)[C@H]1[C@@H]3OC(=O)C(=C(C)C)[C@@H]3O[C@@H]21 238780845 NKPVPBRRTXGXPI-CGSSTYEWSA-N 330.424 3.069 30 1 EGEF CCCCCCCc1nc(C(=O)NCC(=O)O)c(O)c2ccccc12 96174468 VDEUJVUTGALZBR-UHFFFAOYSA-N 344.411 3.268 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C)cc2c1NC(=O)C2=O 587911185 MRLSWNFFACPRJX-UHFFFAOYSA-N 325.751 3.192 30 1 EGEF C=CCN=c1[nH]c(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 587415100 WTNCGNKLYCFWAG-SFHVURJKSA-N 343.452 3.243 30 1 EGEF CC1=C(CO)CC[C@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)OC[C@H]3C 2356603681 LQJVEBISYQGVRQ-GSDQLPOLSA-N 342.391 3.077 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2[C@@H](C=CCC(C)(C)O)C(=O)OC[C@@H]12 2356740784 JPXHSRKLVHCCBD-TVFCKZIOSA-N 334.456 3.156 30 1 EGEF O=C(/C=C/c1cn(Cc2ccccc2)c2ccccc12)CC(=O)C(=O)O 38238057 SPHPCQVVQQJBEP-ZHACJKMWSA-N 347.370 3.316 30 1 EGEF CSCCN/C(=N\O)c1ccc(C)nc1OCc1cccc(F)c1 72181969 IIYMBUXYZBJEEQ-UHFFFAOYSA-N 349.431 3.197 30 1 EGEF CC1(C)CC(=O)C=C(c2ccccc2-c2cccc(C(N)=O)c2)C1=O 199355393 NWQJXXKNFLSFRK-UHFFFAOYSA-N 333.387 3.404 30 3 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H](O)/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@H]12 238754294 ZYKRXWIPMUJNME-MGAXOWIWSA-N 346.423 3.010 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc(Cl)ccn1)O2 587377026 FSCZGRBEGFRBNG-QGZVFWFLSA-N 327.771 3.400 30 1 EGEF CN(C)Cc1cn(Cc2ccc(/C=C/C(=O)NO)cc2)c2ccccc12 1772609018 VIXAJOMLPJWKPN-VAWYXSNFSA-N 349.434 3.270 30 1 EGEF CC(C)[C@@H]1O/C(=C/C(=O)Cc2ccc(-c3ccccc3)cc2)NC1=O 1857561930 BOHHLPMMBCBICL-ACSPXDACSA-N 335.403 3.478 30 1 EGEF C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)/C(C)=C\C)C=C(C)CCC1=O 253669848 WCTVCSTUKQFAEX-SISNPRBRSA-N 344.407 3.218 30 1 EGEF CC#Cc1ccnc(-c2cc([C@]3(C4CC4)N=C(C)C(N)=N3)ccc2O)c1 95578720 FXVJITQJGQEANW-OAQYLSRUSA-N 344.418 3.220 30 1 EGEF COc1cc(OC)c(C(=O)/C=C/c2cccc(C(=O)O)c2)c(OC)c1 13827249 RYRJTIGLOYKTHV-BQYQJAHWSA-N 342.347 3.307 30 1 EGEF CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/CC1CCNCC1 103530496 VGBJDJXJOCVQAW-LPYMAVHISA-N 344.434 3.088 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1CC=C(C)[C@H](O)CCC(C)=CCC[C@@]2(C)O 2356760629 ASSMVNDLURCOIV-FTEYMNFISA-N 334.456 3.443 30 1 EGEF COc1ccc([C@]2([C@H](F)C#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 587383881 WXIVTDYTFUNXEG-MJGOQNOKSA-N 340.354 3.308 30 1 EGEF CCCN1[C@H](C)Cc2ccccc2[C@@]12C(=O)Nc1cc(C#N)ccc12 963245134 ZSZUQTGFYXFZGL-SPLOXXLWSA-N 331.419 3.411 30 1 EGEF O=C(NO)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccccc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c1ccc(Cl)cc1C#Cc1c[nH]c(-c2ccncc2)nc1=N 587902869 CUSKFIMIROOCGT-UHFFFAOYSA-N 336.782 3.013 30 1 EGEF C/C1=C/C=C(/[C@@](C)(O)CO)C[C@@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1 169292898 NWBHMZVDIALTDH-KPJHKORZSA-N 336.472 3.031 30 1 EGEF Cc1ccc(/C=C/C(=N/NC(N)=S)c2nc3ccccc3[nH]2)cc1 1857613621 XZVSEGKQFRPGAM-QMLFAMFSSA-N 335.436 3.122 30 1 EGEF C=C1C(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1cccc(O)c1 1857772901 AMJYWKYBVVVNPN-QGZVFWFLSA-N 341.363 3.062 30 1 EGEF COc1ccc([C@@H]2CC[C@@H](OCC#Cc3cccnc3)O2)cc1OC 29253964 TVUDALZLWZZSGD-PXNSSMCTSA-N 339.391 3.345 30 1 EGEF C/C(=N\N=C(/S)N1C[C@H](C)O[C@H](C)C1)c1nccc2ccccc12 27983424 FOUVAPGMPIIRSJ-NOKQNFADSA-N 342.468 3.354 30 1 EGEF CC(C)C[C@H](C(=O)NO)C(=O)NCc1cccc(-c2ccccc2)c1 35269818 QJSRLRIQQRHWNE-SFHVURJKSA-N 340.423 3.138 30 1 EGEF C/C=C/C=C/C(O)=C1\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1C[C@@H]2OCCCC 49573648 SSIULBZZANASKU-JMHWJZGWSA-N 348.439 3.045 30 1 EGEF CCn1cc(C#N)c2ccc(NS(=O)(=O)Cc3ccccc3)cc21 40564694 DFYUTFGYKUPHMV-UHFFFAOYSA-N 339.420 3.475 30 1 EGEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587192366 ZQPLWRFRVFWPNN-LLVKDONJSA-N 332.363 3.459 30 1 EGEF COC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2C1=O 587404023 TVBWZRDFUXSIJH-HXUWFJFHSA-N 335.359 3.165 30 1 EGEF C=CCN1C(=O)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 6482688 XEYVVHPJJHRUPE-WIRSXHRWSA-N 339.435 3.399 30 1 EGEF Cc1ccc(/C(=N/O)N2CCCCCC2)c(OCc2ccccn2)n1 72180782 NWHNFNSEXYDYCS-PYCFMQQDSA-N 340.427 3.376 30 1 EGEF Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(C#N)cc1 72123181 FUFDDQTYCBJHQU-UHFFFAOYSA-N 344.422 3.226 30 1 EGEF CC1=C2[C@H](O)[C@H]([C@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O 195367040 VZTKKBZCBOZPNT-VPZFNDQJSA-N 333.472 3.017 30 1 EGEF CC(=O)O/N=C1/C(c2c(O)[nH]c3c(F)cccc23)=Nc2ccccc21 40565993 NFIUKUJUBYCMTC-CJLVFECKSA-N 337.310 3.414 30 1 EGEF C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C\C[C@H]3OC3(C)C)CO[C@H](O)[C@@H]12 140256487 BKEVIEYLBYCAMR-OGHRDDFSSA-N 334.456 3.109 30 1 EGEF CC(=O)O[C@@H]1C/C(C)=C\CC[C@@]2(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1C(C)C 238780123 DRGFRBPYLMWXJS-GJKADDMISA-N 338.444 3.410 30 1 EGEF C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@](O)(CC(C)=C[C@@H](O)C1)OC3=O 299808508 NAXRGDYBDAKNAZ-SIFCLUCFSA-N 332.440 3.402 30 1 EGEF Cc1cccc(N2C(=S)[C@@H](C#N)C(=O)N[C@H]2c2cccs2)c1 169686819 IJKVMFPSLGVPHG-GXTWGEPZSA-N 327.434 3.159 30 1 EGEF COc1cc([C@H]2O[C@H]2C(=O)c2cc(C)cs2)cc(OC)c1OC 1857584029 YFPYJMYDMUNFOO-WBVHZDCISA-N 334.393 3.405 30 1 EGEF C=C1C(=O)[C@@]2(O)CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]13C2 102812109 UMJGQHXABVJFNI-TULYMBKGSA-N 332.440 3.334 30 1 EGEF COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)Nc2ccccc2)cc1 40867043 RMDSLLJKAVJUJW-UDWIEESQSA-N 349.394 3.425 30 1 EGEF CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\c1c(O)ccc2ccccc12 100756909 BPWHGNIPDKIBCD-PTSVWTKZSA-N 349.386 3.358 30 1 EGEF COC(=O)[C@@H]1C(=O)C=C(NCCc2ccccc2)C[C@@H]1c1ccccc1 101632582 DNBYHSZIGXMJJJ-CTNGQTDRSA-N 349.430 3.248 30 1 EGEF CCO/N=C(\C)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F 28977000 PZRMFJPLDAYYQH-FRKPEAEDSA-N 344.742 3.362 30 1 EGEF C=C[C@]1(C)C[C@@H]2OC(=O)C[C@]3(C)[C@@H]2[C@](C)(C[C@@H]2OC(=O)C(C)(C)[C@H]23)O1 2356794228 LBJVUIZUIJGCMR-FQXIPORZSA-N 348.439 3.020 30 1 EGEF COC(=O)c1cc([N+](=O)[O-])ccc1C#Cc1cc(Cl)ccc1OC 587900669 PIJUXONLVRRVAB-UHFFFAOYSA-N 345.738 3.443 30 1 EGEF COc1cccc(-c2cnc3c(N/N=C\c4ccncc4)[nH]cnc2-3)c1 102876163 JTFCRIATVUVEIW-VROXFSQNSA-N 344.378 3.426 30 1 EGEF CC(C)=CCC(=O)C(C)=CCC[C@@]1(CO)O[C@H]1CCC(C)=CCO 2356648801 QFOKXRAQWYQLQM-PMACEKPBSA-N 336.472 3.487 30 1 EGEF CC1=C[C@@H]2OC[C@](C)(O)C2=CC[C@](C)(O)C=CC[C@@]2(C)O[C@H]2CC1 2356795646 MIBUYZPWLCLWSC-UHZRXMQZSA-N 334.456 3.048 30 1 EGEF O=[N+]([O-])c1cccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)c1 38238012 APQZPUSUGNZVSK-CAOOACKPSA-N 345.384 3.171 30 1 EGEF CCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccccc1 72111404 IDJNKGJKNXTOFC-HXUWFJFHSA-N 326.464 3.395 30 1 EGEF Cc1cccc(NC(=O)c2cccc(NC(=O)C[n+]3ccccc3)c2)c1 49808059 PJXJIWIIGKPYFH-UHFFFAOYSA-O 346.410 3.174 30 1 EGEF c1ccc(CO/N=C2\c3ccccc3CC[C@@H]2Cn2cncn2)cc1 40918797 NLVVXARCANRDKT-HBWVRPOVSA-N 332.407 3.462 30 1 EGEF COc1cc(/C=C2\C(=O)ON=C2c2cccs2)ccc1OC(C)=O 40685497 LSLRTDUVWHBJMX-WQLSENKSSA-N 343.360 3.027 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(C(F)(F)F)N1 587703952 HZTACMHEOQFEMS-KBUNVGBDSA-N 340.114 3.079 30 1 EGEF CN(C)CC#CCCC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 13825073 KYQMZEFXBXGHDQ-OAQYLSRUSA-N 327.468 3.369 30 1 EGEF CCCCCCCCCCC[C@@H]1CCN[C@H](C(=O)NCCO)C1 1857557630 LLTYQOXTLMMILK-MSOLQXFVSA-N 326.525 3.384 30 1 EGEF O=C(C[C@H]1Sc2ccccc2N(CCC2CCCCC2)C1=O)NO 29248019 AMFGMQJPZJSMRY-MRXNPFEDSA-N 348.468 3.360 30 1 EGEF OC[C@@H]1C[C@@H]2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1 62133720 NLGYSAUDIBBAJL-FKBYEOEOSA-N 347.458 3.320 30 1 EGEF C=C1C2=C(C=C[C@]13CC=C[C@@H]1C(=O)OC[C@H]13)C(=O)O[C@H]2c1ccoc1 2356628245 MLEAQSTVNIJVEZ-AXWIHUDSSA-N 336.343 3.036 30 1 EGEF CCCCCCOc1ccc(C#C[C@]2(O)CN3CCC2CC3)cc1 40935329 UISCOYCZAUQYBW-NRFANRHFSA-N 327.468 3.454 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(S(C)(=O)=O)s1 587918368 OUCVGYLIEFEQND-UHFFFAOYSA-N 326.826 3.213 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(cc1O)NC(=O)CC2 587907162 FXXIUXGWAPABIY-UHFFFAOYSA-N 327.767 3.339 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1CO 587879058 HMHSXJXMBVWBES-UHFFFAOYSA-N 348.229 3.196 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc(OC)c1O 587903928 VMPSODPQRPGNAN-UHFFFAOYSA-N 346.766 3.249 30 1 EGEF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cc(C#N)ccc1Cl)NCC2 962925521 NMNUMRAGJMGLQC-SFHVURJKSA-N 339.826 3.149 30 1 EGEF COc1cc2c3c(c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c1c(-c2ccc(Cl)cc2)[n+](=O)c2cc(F)c(F)cc2n1O 377815876 XDVGINNOFMUFSP-UHFFFAOYSA-N 334.689 3.263 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(OC)c(CC(=O)O)c1 587902437 UUBVVKTVDGCPIY-UHFFFAOYSA-N 330.767 3.384 30 1 EGEF C=C[C@@]1(CC)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963133746 CDFFPBGKQKXZOE-MEDUHNTESA-N 338.429 3.181 30 1 EGEF CO[C@@H]1C=C[C@]23O[C@@H]2C[C@@H]2CCCc4cc5c(cc4[C@@]23C1)OCO5 2356356950 FHKVPQGVMJYBPM-LZOZONPPSA-N 326.392 3.122 30 1 EGEF C=C1CC=C[C@](C)(O)CC[C@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@H]12 2356495709 BLNSXPSESOVHJK-VPWXQRGCSA-N 332.440 3.076 30 1 EGEF C=CCc1cc2c(c(OC)c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](O)C2 214518283 WGFNRTMBWBECCH-QFBILLFUSA-N 342.391 3.175 30 1 EGEF CCCNC(=O)N1[C@H](C#N)[C@@H](c2ccc(C3=CCCC3)cc2)[C@H]1CO 95896158 IZFYFHKVTPITSM-GUDVDZBRSA-N 339.439 3.026 30 1 EGEF C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@H]12 238782725 ZHNTWXWAMWPYNI-QMTROEJUSA-N 332.440 3.076 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(C(=O)O)cnn2c1 587912620 LVOQHLVDMAARIG-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF COc1ccc(C#Cc2ccc(C(=O)N3CCC(=O)[C@@H](C)C3)cc2)cc1 169341531 GVXHYDSMFXCUHC-INIZCTEOSA-N 347.414 3.146 30 1 EGEF C=C1CC[C@@H]2[C@H](C)C(=O)O[C@H]2[C@@H](OC(=O)C(C)=CC)[C@@]2(C)CC[C@H]1O2 2356395792 WUBQZNVZKOWOKO-HMDCPUHISA-N 348.439 3.330 30 1 EGEF C=C[C@@H]1OC(c2ccc(Br)cc2)=N[C@H]1SC(C)=O 28387126 ASAPWKWJXIHFER-AAEUAGOBSA-N 326.215 3.386 30 1 EGEF CC(C)/C=C/C(=O)[C@H](C)CCC[C@]1(C)CO[C@@H](CC(=O)O)CO1 27427943 FZBYJYYCJTZORP-GMQHEGJVSA-N 326.433 3.223 30 1 EGEF CC(=CCC=C(C)[C@@H]1CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)CC[C@H]3O)CO 2356487772 LTAKJWJITPBCJA-OQKHSGFDSA-N 346.467 3.445 30 1 EGEF CC(C)(O)[C@H]1Cc2c(ccc(C(=O)C=Cc3ccc(O)cc3)c2O)O1 2356604561 ZRPXWNBCRBPVHB-GOSISDBHSA-N 340.375 3.068 30 1 EGEF Cc1cc(N2CC=CCC2)nc(/N=C(\N)Nc2ccc(Cl)cc2)n1 96902283 WTTXLJNICIHYSJ-UHFFFAOYSA-N 342.834 3.263 30 1 EGEF O=C1Nc2ccccc2/C1=C1/Nc2cccc(Br)c2C1=O 653849308 SJYIDCVIUAFSFM-OWBHPGMISA-N 341.164 3.421 30 1 EGEF COc1ccc(-c2cc(C(=O)NCCCCCCS)n[nH]2)cc1 653705330 OOUYKJDOCDQJBU-UHFFFAOYSA-N 333.457 3.305 30 1 EGEF COC1=CC(=O)C(=O)C(CCCCCCCCCCCO)=C1OC 1772579324 MBKSIONPOPLZQQ-UHFFFAOYSA-N 338.444 3.462 30 1 EGEF COc1ccc([C@](C)(O)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 169310954 MIZXKBCWRIJTPH-FQEVSTJZSA-N 346.390 3.356 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)C)CC(C)=CCC[C@@]1(C)O[C@@H]21 2356386671 RNMWXCRWDPPZDF-LZRWSTQFSA-N 346.423 3.250 30 1 EGEF C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)C(C)=CC)C=C(C)CCC1=O 2356486539 WCTVCSTUKQFAEX-SQNIBIBYSA-N 344.407 3.218 30 1 EGEF CCOC(=O)/N=c1/sc(C#N)cn1-c1cccc(C(F)(F)F)c1 103272202 UZPJOEHJESDSGY-XDHOZWIPSA-N 341.314 3.486 30 1 EGEF CC(C)CC(=O)OC[C@]1(c2ccccc2OC(=O)CC(C)C)CO1 2356579146 RGDJYUJULIUHAW-LJQANCHMSA-N 334.412 3.453 30 1 EGEF C=C1CC[C@H](C(C)C)C=C[C@](C)(O)CC(=O)C[C@](C)(O)CC[C@@H]1O 2356595738 REFMWIIIPOFHJU-FRYIKTPZSA-N 338.488 3.157 30 1 EGEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C3=C(C)C(=O)C=C[C@]3(C)CC[C@@H]21 2356740572 SSCJYULVYLIUJD-PQTDTLSBSA-N 344.407 3.052 30 1 EGEF C[C@H](O)[C@@H]1C(=O)C[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356742285 IHQXZVCCBKQVHK-XNRFCGMOSA-N 328.452 3.470 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O)cc1 587886817 ZPIVKXHOPOZYAS-UHFFFAOYSA-N 334.202 3.409 30 1 EGEF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC=CC=CC2=O 587605124 XNJUJESFTLCEMB-FXAWDEMLSA-N 334.327 3.178 30 1 EGEF COc1ccc([C@@H](/C(O)=N/C2CCCCC2)N2CCOCC2)cc1 20108400 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C=C1[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/CCOC1=O 38493157 LAIHLMZBILKPIA-RDKVWBOASA-N 332.440 3.198 30 1 EGEF biogenic,in-vitro COC(=O)[C@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@H]2C)CN1 33913690 MVBWBQNHPLNREC-QKKBWIMNSA-N 339.435 3.147 30 1 EGEF C[C@H](CO)C1=C(O)C2=CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O 86004423 WSOQNOOAFHYMDZ-FDEBGQKISA-N 346.423 3.163 30 1 EGEF Cc1ccccc1/C(=N\NC(N)=S)c1cccc(Br)c1 45389629 FKULPCHIWFOJGU-JXAWBTAJSA-N 348.269 3.343 30 1 EGEF C/C=C(\C)C(=O)O[C@H]1C(C)(C)[C@@H]2[C@H](O)C[C@@H](C)[C@@]23C=CC(=O)[C@@]13C 238748592 GGMZSZPEXMFREO-OHBPTMEWSA-N 332.440 3.053 30 1 EGEF C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 238756360 ZHNTWXWAMWPYNI-RQHYGSQVSA-N 332.440 3.076 30 1 EGEF O=C1C/C(=N\c2ccc3[nH]ncc3c2)O/C1=C\c1c[nH]c2ncccc12 169702614 PFVCMUWPURHCEI-HHOGKBAFSA-N 343.346 3.500 30 1 EGEF C=C1CCC=C(COC(=O)[C@H](C)CC)C(=O)C[C@@H]2[C@@H]1C[C@]2(C)CO 2356595179 VZGQXACVDHDZIF-AEVYOOLXSA-N 334.456 3.446 30 1 EGEF CCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2cccc(C)c2)[C@@H]1CO 95667237 FRJATLFDSIFXLK-SVFBPWRDSA-N 334.419 3.251 30 1 EGEF CC(C)C1=C(O)C(=O)C2=C(C=C[C@]3(O)C(C)(C)CCC[C@]23C)C1=O 49872405 JICKNLHEJNAPNI-UXHICEINSA-N 330.424 3.420 30 1 EGEF biogenic COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CNC(=N)O2)cc1 587906486 HPTIZPMCAIKXME-QGZVFWFLSA-N 326.783 3.344 30 1 EGEF Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587882197 OVPUJGBYTKVVSQ-UHFFFAOYSA-N 333.218 3.286 30 1 EGEF N#Cc1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 586997197 OPTLNORUPFQNTN-CQSZACIVSA-N 328.169 3.279 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(Cl)nn2)c1 587909701 YZCLYQGIROZVEZ-UHFFFAOYSA-N 345.189 3.378 30 1 EGEF CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnn(-c3ccccc3)c2)cc1 169706195 GDYMDRBOZYLIEJ-QGZVFWFLSA-N 343.430 3.339 30 1 EGEF CC(C)CCNC(=O)[C@H](CC(C)C)/N=C/[C@@H]1C(=O)Nc2ccccc21 169724599 JOTXMTIWEHDYJR-HKFXUJQTSA-N 343.471 3.370 30 1 EGEF C/C=C1\C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 206310722 SNBODTQYFCSFKC-FASZDQAYSA-N 332.484 3.486 30 1 EGEF O=C(/C=C\CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1 203986146 VWHYFMQKJYFLCC-RQOWECAXSA-N 328.364 3.200 30 1 EGEF C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)CO 2356464794 TZGCPIWXEWYCLJ-ZKHIMWLXSA-N 328.452 3.472 30 1 EGEF C=C1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@](C)(OC(C)=O)[C@H]1C[C@H]3O 2356471744 YHGKYRGXTZRNMD-DYYHUOPESA-N 346.467 3.421 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1CCC(C)=CC[C@H](OC(=O)CC(C)C)[C@]1(C)O[C@H]21 2356474141 FFCNNRVCNZPRLJ-FHHNZLSQSA-N 348.439 3.330 30 1 EGEF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@H](O)C(C)=CCCC(C)=CC[C@H]2O 2356498404 VQNZCESYUXUBIE-GNBUJSLZSA-N 334.456 3.443 30 1 EGEF C=C1[C@H](O)[C@H](OC(=O)C(C)=CC)[C@H](C(C)C)[C@H]2C(=CC)C(=O)C[C@@H]12 2356634738 KNXRRYNSMUERBP-YCVVXREPSA-N 332.440 3.219 30 1 EGEF C=C[C@](C)(O)CCC=C(C)[C@@H](O)CC=C(C)CC[C@@H](O)C(C)(C)O 2356668425 PFPFSFZDWLOUQY-NSHGMRRFSA-N 340.504 3.259 30 1 EGEF COC(=O)c1c(O)cc(C#Cc2cc(Cl)ccc2OC)cc1F 587915788 WBNZXJUUBVBUAC-UHFFFAOYSA-N 334.730 3.380 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C#N)n2)N1 587767813 BERAFLYANXIFEL-FVMDXXJSSA-N 346.203 3.478 30 1 EGEF C#C[C@@]1(c2ccc(Br)cc2F)NCCc2ccc(O)cc21 963341103 KHNDJTMKJLAEER-KRWDZBQOSA-N 346.199 3.316 30 1 EGEF O=C(O)[C@H](CC(=O)[C@H](S)Cc1ccccc1)Cc1ccccc1 1772638674 WKEKGURBGWIHET-FUHWJXTLSA-N 328.433 3.430 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12 5641279 LQAWDKQOLJURMN-CZNQSSAKSA-N 346.423 3.011 30 1 EGEF biogenic C=C1C(=O)O[C@@H]2[C@H](O)C(C)=CCCC(C)=CCCC(CO)=CC[C@H]12 2356394848 IAWHPIHHKZYGDC-QRVBRYPASA-N 332.440 3.221 30 1 EGEF C=CCc1c(O)c(O)c2c(c1O)C(=O)C=C1C(C)=C(C)C(=O)C[C@]12C 14659982 HNCCCXNPDZSUOK-HXUWFJFHSA-N 340.375 3.222 30 1 EGEF biogenic CCCCCCCCOc1ccc2c(c1)CCc1nncc(=O)n1-2 42875540 CBNHNFGGOFYHGT-UHFFFAOYSA-N 327.428 3.465 30 1 EGEF O=C(Cc1ccc(CCCCc2ccc3c(c2)OCO3)cc1)NO 143276035 QEORVQAJDKFCHH-UHFFFAOYSA-N 327.380 3.029 30 1 EGEF CC(C)C[C@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)NO 95561462 BAIONJILRQKEMQ-KRWDZBQOSA-N 341.411 3.395 30 1 EGEF CON=CCCC(F)(F)c1ccc([C@H](C)[S@](C)(=O)=NC#N)cn1 472781072 ZEFPWRSXVTWVRD-RULNZOCKSA-N 344.387 3.226 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([C@H](O)C(=O)O)c(F)c1 587916422 KVTOMFQKRIXFFP-INIZCTEOSA-N 334.730 3.006 30 1 EGEF N#Cc1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)ccc1N 587249135 JGTNETBFJKOIIX-UHFFFAOYSA-N 348.591 3.495 30 1 EGEF C[C@H](C#N)c1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 587187904 LXVFRJJBHMFEIS-MRVPVSSYSA-N 328.173 3.361 30 1 EGEF COc1cccc(-c2cc3ncnc(-n4ncc(C#N)c4N)c3s2)c1 958064378 NIFQSSWAYCEWHI-UHFFFAOYSA-N 348.391 3.006 30 1 EGEF COc1ccc(-c2[nH]c(NC3CCCCCC3)nc(=O)c2C#N)cc1 3649599 BHOOSKPPKPVMOP-UHFFFAOYSA-N 338.411 3.452 30 1 EGEF C=C(c1ccccc1)[C@H]1OC[C@@H](NC(=O)Cc2ccccc2)[C@H](C)O1 28878027 KSOAVMSTMKUCJJ-SCWSEQNSSA-N 337.419 3.189 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](CF)(C(=O)O1)[C@@H]2[C@H]3C(=O)O 2356772939 MOQRYJUIYPNVBO-PVIQAVLISA-N 334.387 3.115 30 1 EGEF O=C1c2ccccc2[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N1O 66078272 XQWIAIUMIULJIW-CQSZACIVSA-N 335.281 3.403 30 1 EGEF COc1cc2c(cc1OC)[C@H]1C/C(=N/O)[C@H]3CCCC[C@@H]3N1CC2 38811251 CADPBCPVJBOUEG-OBBSDVSLSA-N 330.428 3.396 30 1 EGEF in-man C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C/CC/C(C)=C/CC[C@@]3(C)O[C@@H]3C[C@H]12 197173762 HVJGVUTXXJGUKC-BXEUMSGJSA-N 332.440 3.459 30 1 EGEF N#Cc1c(-c2ccc(OC(F)(F)F)cc2)[n+](=O)c2ccccc2n1O 377812077 MYMLRYDOJDIJMG-UHFFFAOYSA-N 348.260 3.230 30 1 EGEF C=C1NC(=O)c2cc(C#Cc3cc(Cl)ccc3OC)sc2N1 587921392 XQGSVECQZVPVBU-UHFFFAOYSA-N 330.796 3.436 30 1 EGEF CCCc1c(O)ccc2c1O[C@](CC#N)(c1cnn(C)c1C)CC2=O 587475758 PAHGRFOIUQBDJM-IBGZPJMESA-N 339.395 3.161 30 1 EGEF CC[C@@H](C)Oc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1C#N 1857748176 UVRFKQYKRDFMGX-SECBINFHSA-N 329.381 3.179 30 1 EGEF CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C 3978315 XQOSNJUURCKQGN-QCGQZMEDSA-N 344.451 3.197 30 3 EGEF in-vitro C=CCOc1c2ccc(C(=O)NCCc3ccc(C)cc3)cc2nn1C 8801889 JTCJTCKDSAFZNF-UHFFFAOYSA-N 349.434 3.419 30 3 EGEF CC(C)(O)C=CC[C@]1(C)O[C@H]1COc1ccc2ccc(=O)oc2c1 2356562950 KPHAWSGLVQWJHP-LPHOPBHVSA-N 330.380 3.047 30 1 EGEF C=C1C[C@]23COC(=O)C2=CCC[C@@H]3C[C@]12C[C@H](c1ccoc1)OC2=O 2356737109 VKZZVTSIYSLAJA-BXIUTXANSA-N 340.375 3.484 30 1 EGEF CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)c1ccc(C#N)cc1 84705037 KGRFJDAIOMKASQ-GOSISDBHSA-N 335.407 3.265 30 1 EGEF C=C(C)[C@H]1CC2=C(C)C(=O)[C@H](O)[C@@H]2[C@H](C)C[C@H]1OC(=O)CC(C)C 238735127 VOHXZWFGTMZFIP-VMVFICBVSA-N 334.456 3.443 30 1 EGEF Cc1ccc([S@@+](N)(=O)NC(=O)N(C)c2ccc(Cl)cc2)cc1 377820010 WKIUEPRZFANKFA-QFIPXVFZSA-O 338.840 3.142 30 1 EGEF C=CCC/C(C)=N/N=C1\SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 653790958 ORFNEKBVCOCIOQ-XCXBMYBGSA-N 346.412 3.368 30 1 EGEF CCOC(=O)c1ccc(OC)c(C#Cc2cc(Cl)ccc2OC)n1 587910516 FNUQCQVMPXQATB-UHFFFAOYSA-N 345.782 3.329 30 1 EGEF CC(C)(C)OC(=O)NCc1[nH]c2cc([N+](=O)[O-])ccc2c1CCC=O 587647153 RXRZYJNQARSOEF-UHFFFAOYSA-N 347.371 3.232 30 1 EGEF COc1ccc(/N=C/CC(=O)c2ccc3c(c2)OCO3)cc1OC 169687943 XPNKNQLOOPJMKR-UFWORHAWSA-N 327.336 3.408 30 1 EGEF CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(CCC3)N=C(C)C(N)=N2)c1 169708678 YTTGJOLKFFUHCP-NRFANRHFSA-N 328.419 3.441 30 1 EGEF C[C@H](O)[C@@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356541870 OVQSVMZESAVYPN-KQDWPSFBSA-N 332.484 3.486 30 1 EGEF CCCCCCCC/N=C(/NC#N)NCc1ccc(O)c(OC)c1 38157247 DIRLQIUEQVGEIJ-UHFFFAOYSA-N 332.448 3.278 30 1 EGEF C/C(CCc1ccc(OC(=O)c2ccccc2)cc1)=N\NC(N)=S 38808504 MTZHHTFDRTWZOI-DEDYPNTBSA-N 341.436 3.048 30 1 EGEF CC1=CC(=O)/C(=C(O)/C=C/c2c(F)c(F)c(F)c(F)c2F)C(=O)O1 198766050 YFLOQLFUDHOZKZ-BJACCRESSA-N 346.207 3.237 30 3 EGEF CCCCCCCCCCCCn1c(O)nc2[nH]c(=O)[nH]c2c1=O 44182276 SIWQJOHOYHLIQF-UHFFFAOYSA-N 336.436 3.039 30 1 EGEF COc1cc(C#Cc2cc(Cl)ccc2OC)c(N)c([N+](=O)[O-])c1 587900625 ROLPLYURWYFZOE-UHFFFAOYSA-N 332.743 3.247 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C)nn(CCCC(=O)O)c1C 587902832 QMMIUNDEOUNIQA-UHFFFAOYSA-N 346.814 3.427 30 1 EGEF Cc1ccc(C(=O)/C=C/c2nc3nc(Br)c[nH]c-3n2)cc1 587968628 VOZJRFMGGYGQEK-VOTSOKGWSA-N 343.184 3.272 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cncc(C(=O)NC(C)C)c1 587908069 KTYKBNWBRBBHLR-UHFFFAOYSA-N 328.799 3.282 30 1 EGEF O=C1C=CC(=C2C=C(C(=O)Nc3ccccc3C(F)(F)F)NO2)C=C1 13123445 MMJZFCNKSBNBIV-UHFFFAOYSA-N 348.280 3.012 30 3 EGEF COc1cc(/N=C/[C@H]2C(=O)Nc3ccccc32)cc(OC)c1OC 169687488 KAEWHNFCFGAWDK-BUESGFEBSA-N 326.352 3.151 30 1 EGEF COc1cc2c(c(N)c1OC)C(=O)/C(=C\c1cc(C)c(O)c(C)c1)C2 3872902 KJTPWUVVLPCPJD-AUWJEWJLSA-N 339.391 3.431 30 1 EGEF N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055591 OFZBWMAOTOZJBJ-HOCLYGCPSA-N 343.770 3.055 30 1 EGEF O=c1[nH]cccc1[C@@](C#CC1CC1)(OCc1ccncc1)C(F)(F)F 26839830 INJQBPWBVJPBDU-QGZVFWFLSA-N 348.324 3.158 30 1 EGEF N#Cc1ccc(-c2ccc(OCCCN3CCCNCC3)cc2)cc1 22941188 LVTJCSTYQPNIJJ-UHFFFAOYSA-N 335.451 3.289 30 1 EGEF CC1(C)CCC[C@]2(C)C1=CC(=O)[C@](C)(O)[C@@]2(O)CCc1ccoc1 2356621787 QARMCHBZCFCHAP-HSALFYBXSA-N 332.440 3.420 30 1 EGEF O/N=C(\NC[C@H]1CCCO1)c1ccc(Oc2ccc(Cl)cc2)nc1 72183277 MXHBUQBNIXHVSO-OAHLLOKOSA-N 347.802 3.432 30 1 EGEF C=C1CC[C@H](OC(C)=O)[C@](C)(O)[C@H](OC(C)=O)C[C@@H]2[C@H]1CC2(C)C 14920759 GCWOSVDDCQPPBW-KMOPNRPKSA-N 338.444 3.003 30 1 EGEF biogenic CCc1cn(CC(=O)N(C)C)c(CC)c1Oc1ccc(C#N)cc1 49036764 NRFMNUFEZGQSHZ-UHFFFAOYSA-N 325.412 3.365 30 1 EGEF CCCCCCCCN1C(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1=O 49780363 UHCFNPWLLXAVHE-KDURUIRLSA-N 342.483 3.464 30 1 EGEF C[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)c2)cc1)C(C)(C)O 96933596 UDFRTFXTUHMSPA-CQSZACIVSA-N 325.383 3.115 30 1 EGEF CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)[C@@]3(O)C(=O)C(O)=C(C)C(=O)[C@]123 5800965 WERIXDUPZQEXGL-HLGGYWDVSA-N 332.440 3.356 30 1 EGEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@H]1O 2356336186 HYOANESYDNMXHG-RSCNAKIRSA-N 334.456 3.338 30 1 EGEF C=C[C@@H]1[C@H](C(=O)OC)CC[C@@H]2[C@@H]1CC[C@@H]1C(C)(C)[C@@H](O)C(=O)C[C@]12C 2356565103 OZCCIQWXTAYLLL-XLDRQNIWSA-N 348.483 3.380 30 1 EGEF CC=C1C(=O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356613641 SNBODTQYFCSFKC-MPGKTPHYSA-N 332.484 3.486 30 1 EGEF C=C1C(=O)O[C@H]2[C@H]3O[C@H](C[C@H]12)[C@@](C)(O)CCC=C(C)CCC=C3C 2356804963 VBYMSIBEPZVJMK-NUABRCLCSA-N 332.440 3.459 30 1 EGEF C#Cc1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 586880958 QMNVZTGIXMMVCG-UHFFFAOYSA-N 341.374 3.271 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C2=CCC(=O)NN2)cc1 587906488 HSFYMKPBIFRBMJ-UHFFFAOYSA-N 338.794 3.114 30 1 EGEF COc1ccc(NC2=NNC(=C3C=CC(=O)C=C3)c3ccccc32)cc1 18156700 UJFAJOKSTKAJPE-UHFFFAOYSA-N 343.386 3.478 30 3 EGEF C=C[C@@H]1CN2CCc3c([nH]c4cc(OC)ccc34)[C@H]2C[C@H]1CCO 2356481048 BEVQVISXDWONSY-PJIJBLCYSA-N 326.440 3.280 30 1 EGEF C=C1CCC=C(C)CC[C@@H]2C(=CCC=C(CO)CO)COC(=O)[C@@H]12 2356650546 JOKXSQBLJTXDIX-MOPGFXCFSA-N 332.440 3.080 30 1 EGEF O/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1Cl 36476169 KBMINQNYZIHTHF-HEHNFIMWSA-N 344.846 3.126 30 1 EGEF CC(C)c1cc2c(c(O)c1O)C[C@]1(C)OC(=O)C(C)(C)C1=CC2=O 238774880 VWDTYTXWQOGSRA-IBGZPJMESA-N 330.380 3.228 30 1 EGEF N#Cc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1C(F)(F)F 587086417 JLWOMLGKCYUBIG-UHFFFAOYSA-N 338.680 3.146 30 1 EGEF CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)C[C@@H](C)O[C@@]431)C2=O 169349408 REMHECGSDXLQKX-TZFCGUKBSA-N 330.424 3.152 30 1 EGEF O=C1C(Cl)=C(c2ccc([N+](=O)[O-])cc2)C(=O)c2c(O)cccc21 1635014 XKJOEJRULSVHRA-UHFFFAOYSA-N 329.695 3.330 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC[C@]3(COC(=O)CC(C)C)O[C@@H]3C[C@H]12 2356415879 ZWFGMQUUOJJSIV-WOCWXWTJSA-N 348.439 3.331 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1CCC(C)=CC[C@H](OC(=O)[C@H](C)CC)[C@]1(C)O[C@H]21 2356382870 QPBIVEZQZLZRFV-JYRGBDFSSA-N 348.439 3.330 30 1 EGEF CCCC[C@](O)(C#C[C@]1(OC)CN2CCC1CC2)c1ccccc1 28563155 DVSLSPWSCJLOGG-SFTDATJTSA-N 327.468 3.179 30 1 EGEF C=C1CC[C@@H]2[C@]3(C)CO[C@@H]3CC[C@]2(C)[C@@H]1CC=C1C(=O)OC[C@H]1O 2356648713 NSMZHQPCABSPEV-WDBHGICGSA-N 332.440 3.008 30 1 EGEF COc1ccc(C(=O)/C=C/c2cc(O)c(OC)c(OC)c2)c(O)c1 136972201 LCZOTWWEOAREMY-QPJJXVBHSA-N 330.336 3.020 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)cc(C(=O)O)c1[N+](=O)[O-] 587916839 SKRVLUGNZMDBIU-UHFFFAOYSA-N 349.701 3.494 30 1 EGEF c1ccc2c(c1)C(=NCCN1CCOCC1)c1ccccc1[C@@H]1C[C@@H]21 27078914 DIPXECUEJUTKMY-SFTDATJTSA-N 332.447 3.441 30 1 EGEF CC(=O)C1=CC=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C 2356615333 AHHYSCJINWRGPT-CUSURMNZSA-N 330.468 3.406 30 1 EGEF COCc1ccc(F)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1 73166002 LRQCETAMAMSJEL-UHFFFAOYSA-N 348.757 3.489 30 1 EGEF CC1(C)C(=O)C2=C(Oc3ccccc3[C@@H]2CC(=O)O)C(C)(C)C1=O 147176461 QUDGEUXBJNJICU-NSHDSACASA-N 328.364 3.096 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C[C@H](CN)CO2 587909355 UCSDPUAMWXGUDU-CQSZACIVSA-N 327.811 3.258 30 1 EGEF C=CCOc1ccc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963016010 BSJHCHKUKFMKDS-YCRPNKLZSA-N 334.419 3.394 30 1 EGEF O=C1Nc2ccc(F)cc2[C@@](C#Cc2ccccn2)(C(F)(F)F)N1 5940574 LETWGSIXDKIECS-HNNXBMFYSA-N 335.260 3.165 30 1 EGEF C=C(C)[C@@H](O)Cc1c(O)ccc2c1O[C@H]1c3ccc(O)cc3OC[C@H]21 15147358 LRCYZCCKRIVTHN-SYNHAJSKSA-N 340.375 3.187 30 1 EGEF endogenous,in-man CC1(C)[C@H]2C[C@](C)(/[N+]([O-])=C/c3cccc([N+](=O)[O-])c3)/C(=N/O)C[C@H]21 169305870 IAEAEBWWPMMKPU-GKCBTCJBSA-N 331.372 3.179 30 3 EGEF C=CCCC(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 201464146 MVLWDNLHRWYRPZ-LJQANCHMSA-N 340.467 3.385 30 3 EGEF COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O 1857624086 SQXSMLLCDWJNAC-UHFFFAOYSA-N 326.377 3.292 30 1 EGEF C=C1C2=CC(=O)[C@H](C)[C@@]1(C)CC[C@]1(C)O[C@@H]1CC[C@]1(C)O[C@H]1C2=O 2356400194 SSFZHIUXTRJVFK-LAIITAAHSA-N 330.424 3.152 30 1 EGEF C(#Cc1ccccc1)CSc1nsnc1[C@@H]1CN2CC[C@H]1C2 26733364 WEDQUQGOGGNBGS-LSDHHAIUSA-N 327.478 3.101 30 1 EGEF C=C[C@](C)(O)CC=C[C@]1(C)CC[C@@H]([C@](C)(O)CC(=O)C=C(C)C)O1 2356578826 HYSXHSFJFJWWOB-VNTMZGSJSA-N 336.472 3.484 30 1 EGEF CCCCCCCCCc1cc2cn(COCCO)c(=O)nc2o1 43470287 UVZATQGYYPYZFZ-UHFFFAOYSA-N 336.432 3.249 30 1 EGEF C[C@]12CCC(=O)C=C1C[C@@H](N1CC1)[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 263591286 TVLJGVSJCIAMRD-WSRGUFLPSA-N 329.484 3.173 30 3 EGEF COc1ccc(Cl)cc1C#Cc1ccc(F)c([C@@H](N)CC(=O)O)c1 587915954 XQMQNMGXGBPRAE-INIZCTEOSA-N 347.773 3.362 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)n(C)c2)N1 587753921 KGSSNWYSBFNNJB-ABKXIKBNSA-N 348.219 3.422 30 1 EGEF N#Cc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1N 587250354 VANVGXLEFLFYTN-UHFFFAOYSA-N 338.680 3.098 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C(F)F)N1 587717822 GRFPRKDDMFGLFK-UHLUBPPHSA-N 333.151 3.496 30 1 EGEF CNC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c(OC)c1 587901189 VIVGEYPHUPQPTC-UHFFFAOYSA-N 329.783 3.117 30 1 EGEF COc1cc2c(cc1OC)C(=O)/C(=C/[C@@H]1CN1Cc1ccccc1)C2 1772650592 UQDADZYITBDQEY-OTEZBZCESA-N 335.403 3.253 30 1 EGEF C=C(C)n1c(=O)n(C(=O)c2cccc(C)c2)c2cc([N+](=O)[O-])ccc21 1857761543 ILLMDKWORIQBBI-UHFFFAOYSA-N 337.335 3.199 30 1 EGEF CC1=CC(=O)O[C@H]1CC=C(C)[C@H](O)CC[C@H](C)C1=CC(=O)C(C)(C)O1 2356400476 AGIJXIAFBCBLFT-IMJJTQAJSA-N 348.439 3.234 30 1 EGEF C=CCN(CC=C)C(=O)c1c(-c2ccc(OC)cc2)noc1[C@@H](C)O 2356636031 SLINMNYWKWYUNJ-CYBMUJFWSA-N 342.395 3.218 30 1 EGEF CC1=Cc2cccc3c2C(=CC(=O)[C@]32Oc3cc(O)cc(C)c3C2=O)O1 14448365 DAUHTLJLLJLZKQ-OAQYLSRUSA-N 346.338 3.486 30 1 EGEF biogenic C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)C=C(C)C)[C@@H]1O 238742468 MTCZUFGHNMDVRH-UYGWLRSGSA-N 334.456 3.443 30 1 EGEF C=C(C)C(=O)CC/C(=C/COc1cc(=O)oc2cccc(C)c12)CO 238785228 CFZQQIFAPMIZJD-DHDCSXOGSA-N 342.391 3.324 30 1 EGEF C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CCC=O 299848804 LITZAYUVXCMREH-ZCPXKWAGSA-N 340.463 3.452 30 1 EGEF COc1cc2c3c(c1)O[C@](C=O)(c1ccc(SC)cc1)[C@@H](C2)C3=O 587453867 UZJDXWCTTYXIBR-HNAYVOBHSA-N 340.400 3.259 30 1 EGEF N#Cc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1C#N 587075002 DAVLLOIHCHGWNX-UHFFFAOYSA-N 345.753 3.207 30 1 EGEF COC(=O)c1sc(C)c(C#Cc2cc(Cl)ccc2OC)c1N 587919048 QHDWVIIYNKRWJZ-UHFFFAOYSA-N 335.812 3.487 30 1 EGEF COc1ccc(-c2cs/c(=N\N=C(/C)c3ccccn3)n2C)cc1 1772614673 GANJARAMLBKQRV-CQUPWJNVSA-N 338.436 3.482 30 1 EGEF CC(=O)O[C@H]1C(=O)CC(C)(C)[C@]23O[C@@H]2C[C@@H](c2ccccc2)[C@@]13C 169293538 PTGKTZIUIJTALG-AQSUADJNSA-N 328.408 3.249 30 1 EGEF N#C[C@H]1c2c(ccc3c2OCO3)C=C2c3cc4c(cc3CCN21)OCO4 205811018 PSYCZVJSBCHQQB-HNNXBMFYSA-N 346.342 3.078 30 1 EGEF C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](OC(=O)C(C)=CC)C=C(C)CCC1=O 2356486536 WCTVCSTUKQFAEX-BZSNNMDCSA-N 344.407 3.218 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC(=O)C[C@H]2C)[C@@H](O)[C@H]1OC(=O)C(C)=CC 2356515028 WVTQOHPHJQZYSY-FHKMWSDDSA-N 334.456 3.443 30 1 EGEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@H](OC(C)=O)C(=O)OC 2356795434 MALPJVTVFUHQQW-LCWCZVIYSA-N 336.428 3.021 30 1 EGEF O=C(/C=C/c1ccc2c(c1)OCO2)c1cc2cc(O)ccc2oc1=O 96937768 MMRNQUPFIRKHSI-DAFODLJHSA-N 336.299 3.123 30 1 EGEF COc1ccc(Cl)c2c1CCN[C@]2(C)c1ccc(N)c(C#N)c1 963259934 VCSUMHMMLLNVKJ-GOSISDBHSA-N 327.815 3.212 30 1 EGEF CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@@]2(C)C=C(Br)C1=O 16926393 QRONGANYXMWLQI-MOLWLYGTSA-N 325.202 3.142 30 3 EGEF O=C1C=Cc2cccc3ccc(N4CCN(c5ncccn5)CC4)c1c23 1857744729 LARMBPKMMZMREB-UHFFFAOYSA-N 342.402 3.166 30 1 EGEF O=C1Nc2ccc(Cl)c(O)c2[C@](C#CC2CC2)(C(F)(F)F)N1 26250597 XZORXPGCOYIQFL-CYBMUJFWSA-N 330.693 3.352 30 1 EGEF CC1(C)[C@H]2C[C@@](C)(/[N+]([O-])=C/c3cccc([N+](=O)[O-])c3)/C(=N/O)C[C@H]21 101645346 IAEAEBWWPMMKPU-XCHVXDQQSA-N 331.372 3.179 30 3 EGEF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(C)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356615738 IZTIJXKODZYJIM-GFAJBQDWSA-N 346.423 3.250 30 1 EGEF COC[C@H](C)N/C(=N\O)c1ccnc(Oc2ccc(Cl)cc2)c1 72185124 KHXXUHHEXZOSJY-NSHDSACASA-N 335.791 3.288 30 1 EGEF C[C@H](CO)c1cc2c(c(O)c1O)[C@]1(C=O)CCCC(C)(C)[C@@H]1CC2 14774273 NHMZRDXUNAGYHM-RAJNIJHNSA-N 332.440 3.403 30 1 EGEF biogenic N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2N2CCCC2)cn1 43014536 OBMVEORXOLGZKX-UHFFFAOYSA-N 342.790 3.246 30 1 EGEF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@H]3CC[C@]12C 255192490 AEURCGYCQQYILP-RPZLJYRGSA-N 332.440 3.175 30 1 EGEF COc1cc([C@H](O)CC=C(C)C)c(OC)c2c1/C(=N/O)C=C/C2=N\O 299831248 NXQOILUNQMZUJD-ZLWYOTEFSA-N 346.383 3.020 30 1 EGEF N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 587588729 LIGNAHJMNMTXMB-LPHOPBHVSA-N 332.315 3.295 30 1 EGEF C#CCCOC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587793513 NJXOHUWBWFRFHA-GXFFZTMASA-N 326.209 3.203 30 1 EGEF COC(=O)c1ccnc2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc12 586902268 WZSKTOJRILBEOE-UHFFFAOYSA-N 343.342 3.404 30 1 EGEF C=C[C@@]1(C)C[C@]2(Oc3c1c(=O)oc1cccc(C)c31)OC(C)(C)[C@@H]2O 14559646 WEPZBXOVWNYLTR-IHPCNDPISA-N 342.391 3.194 30 1 EGEF C=C1C(=O)O[C@H]2C[C@]3(C)O[C@@H]3CC/C(C)=C\[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 15163780 DTOFRQNTRKNUMY-OOOZJADESA-N 346.423 3.250 30 1 EGEF C=C1C[C@@H](CC(C)=CCOc2ccc3ccc(=O)oc3c2O)OC1=O 2356400324 WWTBMZAWBGEHRW-CQSZACIVSA-N 342.347 3.086 30 1 EGEF COC(=O)[C@@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@@H]2CC=C(C)C 103237219 LUIKELAQLPRGNL-MGPUTAFESA-N 344.407 3.424 30 1 EGEF CO[C@H]1CO[C@]2(O)C(=O)C3=C(CCCC3(C)C)c3ccc(C)c1c32 2356717259 LOILOFQMQHVTFF-XOBRGWDASA-N 328.408 3.404 30 1 EGEF C=C[C@]1(C)CC[C@H]([C@]23O[C@@H]2C[C@H](C(C)(C)O)O[C@@H]3O)C[C@H]1C(=C)C 2356796689 NLAGCUOEVCOYBD-VJGXWCDMSA-N 336.472 3.187 30 1 EGEF CCCCCCOc1ccc(C#C[C@@]2(O)CN3CCC2CC3)cc1 40935331 UISCOYCZAUQYBW-OAQYLSRUSA-N 327.468 3.454 30 1 EGEF N#Cc1c(-c2cccs2)[n+](=O)c2ccc(C(F)(F)F)cc2n1O 198023987 NGRCPDKOGWBZEL-UHFFFAOYSA-N 338.290 3.412 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\CO)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 142436322 NMFLQFIFJRTHHO-SZWMTJTOSA-N 346.423 3.011 30 1 EGEF CCCCCCCCCC[C@H](C(=O)O)[C@]1(C(=O)OC)CCC(=O)O1 238789759 MOQSEPITIGAHKF-KDOFPFPSSA-N 342.432 3.467 30 1 EGEF Cc1ccc(Sc2cncc3sc(C(=O)N=C(N)N)cc23)cc1 13862334 MJUWXLAGWHBLRX-UHFFFAOYSA-N 342.449 3.170 30 1 EGEF N#Cc1ncc(C(=O)NCCc2ccccc2)c(NC2CCCCC2)n1 14972060 UEZMKFGTDYYCKL-UHFFFAOYSA-N 349.438 3.065 30 1 EGEF Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)[C@]3(C2)O[C@@H]3CC[C@@]1(C)O 15221202 LSXMAJNNYVGOOA-DSFJHFMVSA-N 348.439 3.463 30 1 EGEF CC[C@@H](C)Nc1ncc(C(=O)N2CCCC2)c(-c2ccc(C#N)cc2)n1 82158673 MEGQJQVASWWNCG-CQSZACIVSA-N 349.438 3.462 30 1 EGEF C/C(=C\[C@H](O)C/C(C)=C/CO)CC/C=C(\C)C(=O)/C=C/C(C)(C)O 238784523 JHKUZYXDLVTBBJ-GWLBBZBZSA-N 336.472 3.245 30 1 EGEF N#Cc1nc(Cl)cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c12 587057705 QQTOLKSJCONERY-SNVBAGLBSA-N 332.194 3.379 30 1 EGEF CNc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 587890239 WXFHUHHTARDOOR-UHFFFAOYSA-N 348.233 3.141 30 1 EGEF Cn1c(/C=C/C(=O)NO)ccc1/C=C/C(=O)c1cccc(Cl)c1 1857619612 IYRHMEKQUXSERB-FIFLTTCUSA-N 330.771 3.093 30 1 EGEF C=CCC1=C[C@@]2(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc(C)c(OC)c1)[C@H]2C 2356707912 AVSXXIMSXZTQPO-QFDFAYKQSA-N 340.419 3.393 30 1 EGEF Cc1ccc(/C(=N/O)N2CCCC2)c(OCc2ccccc2F)n1 72185428 AKORQWMQGNSRKC-FXBPSFAMSA-N 329.375 3.340 30 1 EGEF CC1=CC(=O)O[C@H](/C=C(\C)[C@@H](O)CC[C@@H](C)C2=CC(=O)C(C)(C)O2)C1 96929318 MVGBWGQAUHVNGU-QUQBVAGWSA-N 348.439 3.234 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\CO)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 238750487 NMFLQFIFJRTHHO-HMCYMYSYSA-N 346.423 3.011 30 1 EGEF biogenic COC(=O)[C@H](C)n1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C 587902852 QVOMCLKFZLQPHP-ZDUSSCGKSA-N 346.814 3.296 30 1 EGEF C#Cc1ccc(C(=O)Nc2cccc([C@]3(C)C=CSC(=N)N3)c2)nc1 1772581443 DZIZPZQLUQEUDG-IBGZPJMESA-N 348.431 3.315 30 1 EGEF COc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2OC)c(OC)c1 14640171 CWMMCBXYWVPWJL-FNORWQNLSA-N 330.336 3.020 30 1 EGEF C=C1CC[C@@H]2[C@H](C)C(=O)O[C@H]2[C@H](OC(=O)C(C)=CC)[C@@]2(C)CC[C@H]1O2 2356395795 WUBQZNVZKOWOKO-ZHKFEQBASA-N 348.439 3.330 30 1 EGEF FC(F)(F)c1cccc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1 103281548 AIARDFWQNXMLKK-INIZCTEOSA-N 332.325 3.241 30 1 EGEF C=CCN1C(=O)CN=C(c2ccccc2Cl)c2c(C)nn(CC)c21 169335545 JQXIRYMWYYNSDP-UHFFFAOYSA-N 342.830 3.235 30 1 EGEF C[C@H](N/N=C(\S)N1C[C@@H](C)O[C@H](C)C1)c1nccc2ccccc12 27983488 BLJOMYNVSNUVKA-MCIONIFRSA-N 344.484 3.195 30 1 EGEF CC(C)=CC(=O)[C@H](O)C(C)=CCC[C@@](C)(O)[C@@H]1CCC(C)=CC1=O 2356523297 MMCHYQXMIUOBDF-NSISKUIASA-N 334.456 3.286 30 1 EGEF C=C1[C@@H](CC=C2CCOC2=O)[C@]2(C)CCC(=O)C(C)(C)[C@H]2C[C@H]1O 2356692470 XDMURUTWTFRCDW-NLDJYOPPSA-N 332.440 3.198 30 1 EGEF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 587938482 WMQDVZQAKUYMAI-ABKXIKBNSA-N 342.786 3.329 30 1 EGEF CCNCCNc1cc(C(F)(F)F)c(C#N)c2nc3ccccc3n12 1772613363 UYKNKNKLJVJATG-UHFFFAOYSA-N 347.344 3.399 30 1 EGEF O=C1CC[C@H](O)[C@@H]2C1=C(O)C=CC21Oc2cccc3cccc(c23)O1 14636431 KHWCPGYSJZWUAY-IFXJQAMLSA-N 336.343 3.029 30 1 EGEF biogenic N/C(=N/O)c1ccc2c(c1)nc(C(Cl)(Cl)Cl)c1cccn12 169348651 IOIUTJNBTBOHLM-UHFFFAOYSA-N 343.601 3.409 30 1 EGEF O=C(/N=C/Cc1ccc(Cl)cc1Cl)N1CCC[C@@H](CO)C1 169722645 HMTIIHMZQUPHSF-FISSAEAXSA-N 329.227 3.431 30 1 EGEF N#Cc1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1 28645187 NXCTZWROGMLVKP-UHFFFAOYSA-N 341.334 3.204 30 1 EGEF C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C\C1=CC(=O)O[C@@H]1O 238781582 GHNHHZAECXQMOM-JTTORCMBSA-N 332.440 3.114 30 1 EGEF Cc1coc2c1C[C@@]1(C)[C@@H](CC[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]1C)C2=O 238789101 LESDSDOYPJTSBW-YKXHASNSSA-N 346.423 3.468 30 1 EGEF COc1ccc(OC)c(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c1OC 587790428 CDBMZFUAGTZQFF-UHFFFAOYSA-N 344.758 3.176 30 1 EGEF COc1ccc(/C=C(\C)C(=O)c2cc(OC)c3c(c2)OCO3)cc1N 143773687 IKFPHBSKPMQGFN-IZZDOVSWSA-N 341.363 3.301 30 1 EGEF NC(N)=NC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 13642708 YVAMCJWCLNZNCR-UHFFFAOYSA-N 331.681 3.032 30 1 EGEF NCCCn1cc(-c2ccc3c(c2)CC/C3=N/O)c(-c2ccncc2)n1 100411242 XBYGGIAFXHDSJP-CLCOLTQESA-N 347.422 3.085 30 1 EGEF C=C1[C@@H](O)C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C/C=C1/CCOC1=O 40875125 XDMURUTWTFRCDW-HQQVEHBJSA-N 332.440 3.198 30 1 EGEF C[Si](C)(C[C@](C#N)(Cn1cncn1)c1ccccc1)c1ccccc1 195990724 DYAVEEHWQSXFLI-FQEVSTJZSA-N 346.510 3.355 30 1 EGEF CN(C)c1ccc(/C=C2\S/C(=N/c3nccs3)NC2=O)cc1 95595491 UHSGRHDCNWMMAM-XFXZXTDPSA-N 330.438 3.101 30 1 EGEF N#C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 95896079 FSTZDOIQITWSOS-XUVXKRRUSA-N 336.435 3.233 30 1 EGEF N#Cc1c(-c2ccc3c(Cl)cn(Cc4cccnc4)c3c2)[nH][nH]c1=N 1857534248 AJLPROLDTQRMOM-UHFFFAOYSA-N 348.797 3.412 30 1 EGEF O=C1C=CC(=C2N=C(c3ccccc3)C(c3ccccc3)=NN2)C=C1 104025849 GKBJSVKISIBIDZ-UHFFFAOYSA-N 325.371 3.390 30 3 EGEF CC(C)/C=C/C(=O)[C@@H](C)CCC[C@]1(C)CO[C@@H](CC(=O)O)CO1 27427938 FZBYJYYCJTZORP-VPARFWPLSA-N 326.433 3.223 30 1 EGEF C#CCN1C(=O)[C@]2(OCCC=C[C@@H]2C)c2c(Br)cccc21 66148528 GUVGFTQUWATYAW-YVEFUNNKSA-N 346.224 3.237 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CC=C[C@](C)(O)CC[C@@H]3O[C@@]3(C)CC[C@@H]12 2356664668 FTWOERARESUNOJ-VYMYIBDJSA-N 332.440 3.459 30 1 EGEF C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@]2(C)C[C@H]2C(=O)C=C(C)C(=O)C1 2356678186 WEJWONOQPGYTMK-RCPOKICQSA-N 328.408 3.325 30 1 EGEF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C[C@@H]4O[C@@]412)[C@]1(CO1)C3 71296430 LJXZNYIHYUWUED-GVCDEEQOSA-N 346.467 3.473 30 1 EGEF CC1=C2[C@H](O)[C@@H]([C@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O 195367049 VZTKKBZCBOZPNT-FSPMTTQMSA-N 333.472 3.017 30 1 EGEF N#Cc1nc(NCc2ccccc2)c2c(n1)N(Cc1ccccc1)CN2 40955124 IUJGZLRLBNJANM-UHFFFAOYSA-N 342.406 3.350 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H](O)/C=C(\C)[C@@H](OC(=O)[C@H](C)CC)C[C@@H]12 238757214 SQRYPCTWZQIPKH-UFJVHPQDSA-N 348.439 3.089 30 1 EGEF Cc1ccc([C@H]2C3=C(OC[C@@H]2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 473137252 XKGJYJVVCCLUJV-JKSUJKDBSA-N 349.342 3.087 30 1 EGEF CCOC(=O)c1c(N)sc(/N=C/c2ccccc2)c1C(=O)OCC 299823832 BAUSWVIZDGGCMF-VXLYETTFSA-N 346.408 3.434 30 1 EGEF CC(C)(C)OC(=O)N[C@H](C(=O)NO)c1ccc(-c2ccccc2)cc1 584904859 BENZKHKGKDQWFM-INIZCTEOSA-N 342.395 3.425 30 1 EGEF in-vitro Cc1cccc(C)c1Oc1nc(N)nc(Nc2ccc(C#N)cc2)n1 5931280 OEBVKUXFJFYGMH-UHFFFAOYSA-N 332.367 3.478 30 1 EGEF N#Cc1ccc(-c2ccc(OCCCN3CCC(O)CC3)cc2)cc1 13859985 CRGOWMIZBWIMTB-UHFFFAOYSA-N 336.435 3.451 30 1 EGEF CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 14969975 IKSFNOMXHPMYIQ-AWEZNQCLSA-N 344.521 3.429 30 1 EGEF C/C1=C/C=C(\C(C)C)C(=O)[C@@H](O)[C@H](C)CCC(=O)/C(CO)=C\CC1 105579105 IVLQHBCLTSYTPN-KBHTVENUSA-N 334.456 3.143 30 1 EGEF NC1=C(O)C(=O)[C@H](c2c[nH]c3ccc(OCc4ccccc4)cc23)O1 103939134 SOQBQROVZZERKD-SFHVURJKSA-N 336.347 3.073 30 1 EGEF CCC[C@H]1O[C@H](CC(=O)OCC)CC2=C1C(=O)c1ccccc1C2=O 40955889 QCFZGWKSMCXHJW-BLLLJJGKSA-N 342.391 3.273 30 1 EGEF C=C1C[C@@H](O)C=C(C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 299806862 ZHNTWXWAMWPYNI-PYXVNLNYSA-N 332.440 3.076 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=CC=CC2=O)N1 587816776 DBKJJGAUWDSYCY-QLJPJBMISA-N 336.204 3.403 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([N+](=O)[O-])cc1C(=O)O 587901016 UMSAGCVYNIXVEV-UHFFFAOYSA-N 331.711 3.355 30 1 EGEF C[C@@H]1Cc2c(O)c3c(c(O)c2O1)[C@]1(C)CC[C@@]2(C)O[C@@]2(C)C1=CC3=O 2356595012 PKEXFWWHNQGVIY-ZCEZSQDQSA-N 342.391 3.143 30 1 EGEF COc1cc(OC)c2c(c1)O/C(=C\c1ccc(OC)c(O)c1)C2=O 72108133 YUECETOWCFGWQI-APSNUPSMSA-N 328.320 3.034 30 1 EGEF in-vitro CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccc(O)cc1O 653901797 QCFAGJWQRHLJON-GDNBJRDFSA-N 331.305 3.029 30 1 EGEF CC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)cc1 369488 JNDDVNLWXMUAJO-ICFOKQHNSA-N 338.816 3.138 30 1 EGEF O=C(/C=C/c1ccc(CNCCc2cc3ccccc3[nH]2)cc1)NO 13528155 LZCMBRQLXVTLOY-MDZDMXLPSA-N 335.407 3.019 30 1 EGEF C1=CC2=NC(N/N=C/c3ccc4ccccc4n3)=C3CC=CN3[C@@H]2C=C1 1857628632 XPQGJCYFSWWXCP-VZMFNRANSA-N 339.402 3.496 30 1 EGEF Cc1ccccc1N1CCN(C2=CC(=O)c3ccccc3C2=O)CC1 71294970 ONHCKYXKMAZSLP-UHFFFAOYSA-N 332.403 3.080 30 1 EGEF CC(=O)NC1=C(Cl)C(=O)c2cc3c(cc2C1=O)CCCC3(C)C 96914038 AQFXONODKYWQSJ-UHFFFAOYSA-N 331.799 3.266 30 1 EGEF Cc1ccc(C(=O)c2ccc3nc(/C=C/C(=O)NO)ccc3c2)cc1 1911581561 JLRGCGAYVIJHRF-PKNBQFBNSA-N 332.359 3.293 30 1 EGEF C=C(C)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=S)CCC2 4144449 BOFFLAGFLWBGHB-UHFFFAOYSA-N 341.436 3.154 30 3 EGEF CO/N=C(/c1ncn[nH]1)c1ccccc1COc1cc(C)ccc1C 103179753 HWUGZFOYKZXXFT-PTGBLXJZSA-N 336.395 3.399 30 1 EGEF CC1=[N+](C)N(c2ccccc2)C(=O)[C@H]1/N=C\c1ccccc1Cl 102403581 DEWPWDDDYVSIMY-BRLDDBHUSA-N 326.807 3.193 30 3 EGEF CC(C)=CCC(=O)C(C)=CCC[C@]1(CO)O[C@H]1CCC(C)=CCO 2356648803 QFOKXRAQWYQLQM-VQTJNVASSA-N 336.472 3.487 30 1 EGEF C=C1C[C@H](C/C(C)=C\COc2ccc3ccc(=O)oc3c2O)OC1=O 212372670 WWTBMZAWBGEHRW-JOHMGYAOSA-N 342.347 3.086 30 1 EGEF COc1cccc(CN/C(=N\O)c2ccc(C)nc2OCC(C)C)c1 72185535 MXLLYPCCDXHKPM-UHFFFAOYSA-N 343.427 3.359 30 1 EGEF CC(=O)NC1=C(c2ccccc2Cl)C(=O)c2ccccc2C1=O 40403387 VBENSLLEEGWJDQ-UHFFFAOYSA-N 325.751 3.266 30 1 EGEF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 587785100 LJJJCBWNCMDASW-HOTGVXAUSA-N 342.358 3.250 30 1 EGEF COc1cc(C(=O)NC[C@H](C#N)c2ccccc2)ccc1-c1cn[nH]c1 1772649698 RKGXRJNCSPXVMJ-INIZCTEOSA-N 346.390 3.122 30 1 EGEF CC1(C)C(=O)C(O)=C[C@]2(C)[C@H]3CC[C@@](C)(C(=O)CO)C=C3CC[C@@H]12 15114009 JLXLDXALELIBKS-DZXDFRQDSA-N 332.440 3.358 30 1 EGEF CC#CC[C@@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963183026 IKPZCVTWYMFBOY-QWRGUYRKSA-N 331.721 3.412 30 1 EGEF COc1ccc(OC)c(/N=C2\SCC(=O)N2Cc2ccccc2)c1 5171448 FAENKHUYSBQAKW-HNENSFHCSA-N 342.420 3.467 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CCC(C)=C[C@H](OC(=O)C=C(C)C)[C@H]12 2356524219 VKLNEZVZWPYGAE-GSXURMFVSA-N 346.423 3.250 30 1 EGEF C=C1CC[C@@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@@H]2C(=C)CC[C@@H]1O 2356683013 DKAXGACCDFMXHY-NXHRZFHOSA-N 332.440 3.076 30 1 EGEF N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2ccnc2)c1 38462825 PPRXFZNIKRYLIS-UHFFFAOYSA-N 345.391 3.401 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)c(C#N)c1F)O2 587383172 YNMMFVQUHNOKBN-KRWDZBQOSA-N 339.370 3.361 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(N2CC[C@H](O)C2)cc1 587907127 FFCUHRDCKSMMMU-SFHVURJKSA-N 327.811 3.319 30 1 EGEF O=C1C=CN(CCc2c[nH]c3ccccc23)C(=O)[C@@H]1Cc1ccccc1 957743189 BLHAGWGTFNOXFH-LJQANCHMSA-N 344.414 3.494 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(C)CCC=C(C)C[C@@H](O)[C@H]12 2356440167 QDVFXUZZNWQOPD-PKRADWSKSA-N 332.440 3.459 30 1 EGEF C=C[C@]1(C)C=C2[C@@H](C[C@H]1O)[C@@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]1C[C@H]2O 2356598414 PEHMNBMSMKSSAA-VGNQVZLZSA-N 348.483 3.236 30 1 EGEF O[C@]1(C#Cc2cccc(OCc3ccccc3)c2)CN2CCC1CC2 29055805 HLSXDUNLWJVJDD-JOCHJYFZSA-N 333.431 3.074 30 1 EGEF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc([C@@H](C)C#N)c1 28365952 VUGNSBAWTJXEEK-LBPRGKRZSA-N 337.423 3.170 30 1 EGEF C=C1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)C[C@@H]12 238769795 LEKWOAFHZQWGJG-DDACKWAISA-N 332.440 3.219 30 1 EGEF N#Cc1sc2nc(N)c(C#N)c(-c3c[nH]c4ccccc34)c2c1N 95597033 NSQSOKHQCJPTDV-UHFFFAOYSA-N 330.376 3.352 30 1 EGEF COc1ccc(/C=C/C=N/[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1 653705299 HHEDHEXZEZCBKW-VHYIHLOSSA-N 325.364 3.181 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(O)nc1C(F)(F)F 587914870 PNGKJQUNVWEUKN-UHFFFAOYSA-N 328.677 3.263 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=CCCCC1=O 587891053 LHSPQZNLTUNUBF-UHFFFAOYSA-N 336.218 3.335 30 1 EGEF C=CCN(CC)C(=O)[C@]1(c2ccccc2)[C@H](CN)[C@@H]1c1ccccc1 29046902 RTMQOOCMZQWPBD-RZUBCFFCSA-N 334.463 3.331 30 1 EGEF CCCCCCC[C@H](O)C=C[C@@H](O)CC[C@@H](O)CCCC(=O)O 2356490355 FITAKYVPWCVTII-YESZJQIVSA-N 330.465 3.021 30 1 EGEF C=C1C(=O)[C@@]23CC[C@H]4[C@H](C(=O)OC)CC(=O)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 40576940 JSVYWQFZVYJDCP-JOJZBGMRSA-N 330.424 3.096 30 1 EGEF C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)/C(C)=C\C)/C=C(\C)CC[C@H]1O 238770975 UPYSSTOWRYYTEG-SZMOYDELSA-N 346.423 3.010 30 1 EGEF biogenic C=C[C@H]1C[N@+]2(C)CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 261513259 SJTSZVLGFLZBFK-UIHPHKDJSA-N 339.459 3.318 30 1 EGEF COc1cc(OC)c(C(=O)/C=C/c2ccc(O)c(O)c2)c(OC)c1 299867567 YGWUMZCJAIUTIY-FNORWQNLSA-N 330.336 3.020 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CSC[C@@H]2C#N)N1 587855099 FTIRQJWGTNCZCG-IPURGOFSSA-N 341.249 3.204 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2c(c1)NC(=O)C[C@H](C)N2 587910128 LDGZBQZJBBFCLS-NSHDSACASA-N 341.798 3.286 30 1 EGEF CCCCCCCCCC[C@@H]1NC(=N)N[C@]2(CCCO2)[C@@H]1C(=O)O 1772625577 XQIBJGYYXKVIHB-MPGHIAIKSA-N 339.480 3.221 30 1 EGEF C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@H](C)C=CCC(=O)OC 1857609684 KJHMKRHEJWSQIB-RDTXWAMCSA-N 347.411 3.404 30 1 EGEF C[C@@]1(C(=O)Nc2cccc(C#N)c2)CCN1C(=O)CCc1ccccc1 61930173 CGYVWXLOAPJZGP-NRFANRHFSA-N 347.418 3.121 30 3 EGEF C=C(C(=O)CC=C(C)C)[C@@H]1C[C@@H]2O[C@@]2(C)C(=O)[C@H]1OC(=O)C(C)=CC 2356619861 WPLOBQQVZLAOAQ-JWWIWJDOSA-N 346.423 3.093 30 1 EGEF COc1cc(CCC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O 2356747651 MCERWWPBQHGSTL-UHFFFAOYSA-N 340.375 3.281 30 1 EGEF C=C(C)[C@@H]1CC[C@@]23CC[C@@H](C[C@@H]2[C@@]1(C)CCC(=O)O)[C@@](O)(CO)C3 15116396 JGJYHLOAFWCFID-XLQBFBSWSA-N 336.472 3.373 30 1 EGEF biogenic C#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587587418 MSKNABYFAIBDMG-NQIIRXRSSA-N 343.338 3.471 30 1 EGEF CCC1=CC(=O)[C@@H](C)[C@@H]([C@@H](C)c2ccc(CO)cc2/C=C/CO)O1 1857560865 QQUATXMTFHAAFC-FZVHOESVSA-N 330.424 3.186 30 1 EGEF CCON/C(C)=C1/C(=O)C=C(C(C)(C)C)N(c2ccccc2)C1=O 103915973 ZLTJZLNBSQQQEV-LGMDPLHJSA-N 328.412 3.347 30 3 EGEF CC(=O)N1C(=O)C(C(=O)c2ccccc2)=C(O)/C1=C/c1ccccc1 1911579129 IYMBBMLSXACSMH-VBKFSLOCSA-N 333.343 3.111 30 1 EGEF COc1ccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)c(C#N)c1 142344203 IWUMVRRFKALVSM-HNNXBMFYSA-N 332.403 3.034 30 1 EGEF O=C1C=CC2(C=C1)OC(=O)C(c1ccc(O)cc1)=C2c1ccccc1 299819900 DLMFEXMLXXCGON-UHFFFAOYSA-N 330.339 3.294 30 1 EGEF COC(=O)c1ccc(C#N)cc1C#Cc1cc(Cl)ccc1OC 587901093 VIVZEGIRUBQNDY-UHFFFAOYSA-N 325.751 3.407 30 1 EGEF COCCNc1ccc(-c2nc3ccc(C#N)cc3[nH]2)cc1[N+](=O)[O-] 587261978 KPQCSUYNYLHWHO-UHFFFAOYSA-N 337.339 3.068 30 1 EGEF CC[C@@H]1OC=CC(=O)[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961614355 KVHOLUIUXKWURV-DOTOQJQBSA-N 348.240 3.214 30 1 EGEF O=C1C2=C(c3ccccc31)[C@H](c1ccc(Cl)cc1)NC(=S)N2 17211121 JQSKACAPLXGGCU-AWEZNQCLSA-N 326.808 3.466 30 1 EGEF COc1cc(/C=C/C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O 6483730 ISIMGBQRFXXNON-FCXRPNKRSA-N 326.348 3.411 30 1 EGEF biogenic,in-vivo C=C1C(=O)O[C@@H]2CC(C)=CCC[C@]3(C)O[C@@H]3[C@H](OC(=O)C(C)=CC)[C@@H]12 2356759434 PTUHWOJINFJBSD-JZBZHOAESA-N 346.423 3.250 30 1 EGEF C=C[C@](C)(O)CCC=C(C)[C@@H](OC(C)=O)[C@@H](C=C(C)C)OC(C)=O 2356779976 HRCVDYKTTYCITA-QRVBRYPASA-N 338.444 3.480 30 1 EGEF C=C1CC=C2[C@H](C=C(C)CC[C@@H]3O[C@]3(C)CC[C@H]1O)OC[C@@]2(C)O 2356804884 VBDTURLFWRHISG-LCWAXJCOSA-N 334.456 3.048 30 1 EGEF CCN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O 72120097 HIUHLZADQOFGBE-ZDUSSCGKSA-N 326.318 3.213 30 1 EGEF CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)C[C@H](C)O[C@]431)C2=O 73278529 REMHECGSDXLQKX-FYSNHHCBSA-N 330.424 3.152 30 1 EGEF COc1ccc(OC)c(/N=C/c2c(O)c3ccccc3oc2=O)c1 96422830 VAYSEXFMPFYOTL-VXLYETTFSA-N 325.320 3.266 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C#N)c1nc3ccccc3[nH]1)O2 587397082 RUOJDHHDXRFERD-RNODOKPDSA-N 346.390 3.485 30 1 EGEF N#Cc1ccc(NC(=O)N2CCCc3cc(C4CC4)c(C=O)nc32)nc1 1772605845 IPZPDDMTAVNRHG-UHFFFAOYSA-N 347.378 3.023 30 1 EGEF O=C1O[C@@H]([C@H](/C=N/c2cc(Cl)ccc2O)[N+](=O)[O-])c2ccccc21 169689135 LKAWNSHHDWHZTM-BVBCSMGISA-N 346.726 3.305 30 1 EGEF COc1cc(C#CCC[N+]23CCC(CC2)CC3)cc(OC)c1OC 58506307 GMFDZMPJSLOODW-UHFFFAOYSA-N 330.448 3.085 30 1 EGEF CC[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1NCc1ccccc1 101550731 YCTWGBCLWICOEP-LJQANCHMSA-N 343.448 3.369 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CC=C(C)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356614412 TXMPZNDZQFKJQU-PANQXIRQSA-N 346.423 3.250 30 1 EGEF CCCCCCCCC[C@@H](O)/C=C\[C@H](O)[C@H](O)CCCC(=O)O 218482426 XYVMMUYIQOLBNH-USHIQKTFSA-N 330.465 3.021 30 1 EGEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1O 138904037 HYOANESYDNMXHG-SQWXYCIISA-N 334.456 3.338 30 1 EGEF N#Cc1cncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587589545 XWFDHRZHQIBVJD-XLIONFOSSA-N 344.326 3.362 30 1 EGEF C=C1[C@H]2CC(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C 13337079 RJNJFKDVPIFVPQ-AYZDMQBWSA-N 336.472 3.379 30 1 EGEF endogenous,in-man C=C1CCC[C@]2(C)C[C@H](O)[C@]3(O)O[C@]12C[C@]3(C)CCC(=O)C(C)C 15159338 PXEKVOBSMMMKPX-YHDCXSKOSA-N 336.472 3.357 30 1 EGEF C/C(=N\NC(=S)Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1 7010481 WGNWUDPHDITOLU-VCHYOVAHSA-N 332.360 3.445 30 1 EGEF C[C@@H](CS)C(=O)N(CC(=O)O)C1CCC(c2ccccc2)CC1 28260421 AKTMWIHHSPYFEA-JEYLPNPQSA-N 335.469 3.192 30 1 EGEF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@@](C)(O)[C@]13C 2356519265 UMOPXPFDSBKPSK-AAFYZHBXSA-N 348.439 3.463 30 1 EGEF Oc1ncn(C[C@@]2(c3ccc(F)cc3)O[C@H]2c2ccccc2Cl)n1 2356875618 ZSDOCYUTMYKRND-RDJZCZTQSA-N 345.761 3.443 30 1 EGEF CCOC(=O)[C@H]1CCC(Nc2cccc(OC(F)(F)F)c2)=CC1=O 40979443 NRYKQKKHSQDBGB-ZDUSSCGKSA-N 343.301 3.423 30 1 EGEF C=CCN1C(=O)S[C@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)C1=O 587037983 BPQDVDZZFKAQNE-CQSZACIVSA-N 341.436 3.234 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(cc1[N+](=O)[O-])OCCO2 587907176 GLPVRKLNWMKSJM-UHFFFAOYSA-N 345.738 3.428 30 1 EGEF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 587938493 WMQDVZQAKUYMAI-JDNHERCYSA-N 342.786 3.329 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CSC[C@H]2C#N)N1 587855102 FTIRQJWGTNCZCG-PJCOJXEDSA-N 341.249 3.204 30 1 EGEF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C#N)cc1OC)[C@@H](C2)C3=O 587428631 LIBGRXGWLPRPEF-YWZLYKJASA-N 335.359 3.238 30 1 EGEF COc1ccc(Cl)cc1C#Cc1nc(Br)ncc1F 587916092 CBBNUOGWBNRWGE-UHFFFAOYSA-N 341.567 3.440 30 1 EGEF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\C#Cc1ccc(C)c(F)c1 169360345 LSHYSRPXQSYQAD-YDODDZTGSA-N 339.410 3.068 30 1 EGEF CC1=NC[C@]23C[C@H](O)[C@H]4[C@@H](CCC5=CC(=O)C=C[C@@]54C)[C@H]2CC[C@@H]13 2356380787 QTJNBGXAMZCXMH-FAXLKHNMSA-N 325.452 3.336 30 1 EGEF N#Cc1c(N/C=C2/C=CC(=O)C([N+](=O)[O-])=C2)sc2c1CCCC2 103980608 HUWYUGOWIBKBRA-KTKRTIGZSA-N 327.365 3.094 30 3 EGEF N#Cc1c([C@H](N)Cc2ccccc2)cc(-c2ccccc2O)nc1N 28347160 FXHAOHCSGZLTCZ-QGZVFWFLSA-N 330.391 3.151 30 1 EGEF O/N=C(/CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 96316500 JTFASLDIMUTFOK-PYCFMQQDSA-N 342.418 3.001 30 1 EGEF C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)/C(=C\CO)CC[C@H]12 254096474 SBMHTRUNPKWTLU-KRLIUDDKSA-N 330.468 3.408 30 3 EGEF C=CCn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21 653840672 DMUZHSQAEFAEEB-UHFFFAOYSA-N 335.392 3.096 30 1 EGEF N#Cc1nc(Cl)cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 586906282 ARDFETMAJZOOHO-MRVPVSSYSA-N 326.743 3.064 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(OC)c(C(N)=S)c1 587919000 FFDJPLHTSSDNFP-UHFFFAOYSA-N 331.824 3.391 30 1 EGEF C=CCN1C(=S)c2c(C)c3c(OC)cc(OC)cc3n2C1=S 13487569 VKKGWARGAHMXDL-UHFFFAOYSA-N 332.450 3.277 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)/C(C)=C/CO)[C@H]12 158274493 QXVGANVELOYXEZ-KKSHUJFPSA-N 346.423 3.011 30 1 EGEF Cc1cccc2c1nc1n2[C@H](CNCc2ccc(C#N)cc2)COC1 2356309733 IQXAONAWWFQZRU-QGZVFWFLSA-N 332.407 3.078 30 1 EGEF CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H]1C[C@@H]3C(C)(C)CCC[C@@]23C(=O)O1 100783621 ZGIOOTXNBWWRKD-JHTDMNASSA-N 344.407 3.045 30 1 EGEF endogenous,in-man COc1ccc([C@H]2CC[C@H](OCC#Cc3cccnc3)O2)cc1OC 29253985 TVUDALZLWZZSGD-YLJYHZDGSA-N 339.391 3.345 30 1 EGEF Cc1noc(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880235 HWMYWNVWDSFYQA-UHFFFAOYSA-N 337.206 3.309 30 1 EGEF CCOc1ccc([C@]2(C=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399813 MMCJWUXSHXPDPE-LJQANCHMSA-N 325.364 3.036 30 1 EGEF Cc1ccc(C(=O)/C=C\c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587965251 IQHMTRCOFNRNHO-HJWRWDBZSA-N 342.376 3.014 30 1 EGEF COc1ccc(Cl)cc1C#Cc1csc(CN2CCNCC2)c1 587919321 ZHFFFCLIMSOUAE-UHFFFAOYSA-N 346.883 3.215 30 1 EGEF COc1cc2c3c(c1)O[C@@H](c1c(F)cc(C#N)cc1F)[C@@H](C2)C3=O 587424653 QZNXVBHVLNKWKZ-BBATYDOGSA-N 327.286 3.334 30 1 EGEF CC(=O)C(=Cc1ccc(OCC(=O)O)c(Cl)c1Cl)C(C)=O 26490075 POZDULSCGQDQSC-UHFFFAOYSA-N 331.151 3.018 30 1 EGEF Cc1ccc([C@H]2CC[C@]3(C)[C@@H](/C=N/OCCN)CC[C@]3(O)C2)cc1 3946455 WWIYAPXSKAEHBB-WVFPDTRMSA-N 330.472 3.371 30 1 EGEF CCOC(=O)/C(O)=C/C(=O)/C=C/c1ccn(Cc2ccc(F)cc2)c1 299868245 ZKMYHGHXGIMCOF-ZMCAKAGVSA-N 343.354 3.263 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N 587899885 ISIJEKAGSBXQOV-UHFFFAOYSA-N 347.714 3.147 30 1 EGEF FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ncc[nH]c-2n1 587090206 NNOPXLKBXUJWQR-UHFFFAOYSA-N 338.133 3.229 30 1 EGEF C[C@@H]1C[C@H](O)[C@]2(C)[C@H](C=O)[C@H](O)CC[C@H]2[C@]1(C)CCc1ccoc1 2356410638 QISIBMBISMJJDX-LHSFGFEGSA-N 334.456 3.212 30 1 EGEF C=C1CC[C@@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@H]2C(=C)CC[C@H]1O 2356683010 DKAXGACCDFMXHY-BPQIPLTHSA-N 332.440 3.076 30 1 EGEF COc1ccc(/C=C/C(=O)CCC(=O)Nc2ccc(O)cc2)cc1 64560790 GWNPSNDHGBCAFF-FARCUNLSSA-N 325.364 3.402 30 1 EGEF CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CO)cc1F 44418761 QHFNYRFOVQDRMP-SFHVURJKSA-N 340.439 3.213 30 1 EGEF CN1CCN(C#CCN2c3ccccc3Sc3ccccc32)CC1 40892459 BBHRVIMARDNIAA-UHFFFAOYSA-N 335.476 3.498 30 1 EGEF CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2C2=CCCC2)[C@@H]1C#N 95867959 JAWDJMGGZOQHNH-OTWHNJEPSA-N 339.439 3.026 30 1 EGEF CCCc1c(O)ccc2c1O[C@](CC)([C@@H](C#N)C(=O)OCC)CC2=O 587470912 WWIXIIDMOWVBTA-LIRRHRJNSA-N 345.395 3.162 30 1 EGEF C[C@@H](CSc1ccc(F)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 587170850 FTQWOJVKMWCBDW-VIFPVBQESA-N 338.371 3.131 30 1 EGEF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@@](C)(O)[C@]13C 2356509104 CBOLYDOXFPZAIY-ZTTMTSROSA-N 346.423 3.383 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H](OC(=O)CC(C)C)/C(C)=C/CC/C(C)=C/[C@@H](O)[C@H]12 238759280 HYVHAPROKWELKE-OWGXCHQZSA-N 348.439 3.089 30 1 EGEF C[C@]12C[C@@H](c3ccoc3)OC=C1C(=O)C[C@@]13COC(=O)C1=CCC[C@@H]32 238731274 JSJGGYMCEWCMES-KVPLUYHFSA-N 340.375 3.484 30 1 EGEF N#Cc1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 621476373 ICCLVZGQOQBBLY-UHFFFAOYSA-N 343.298 3.420 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(N2CCOCC2)c(N)c1 587902557 YQJLDMGQYDVJOA-UHFFFAOYSA-N 342.826 3.167 30 1 EGEF Cc1ccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1C#N 587188995 WGLDGPSAJHHXQB-UHFFFAOYSA-N 331.423 3.162 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2nc(C)c(C(=O)O)n2c1 587912586 LACXSFOVWATHFM-UHFFFAOYSA-N 340.766 3.403 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CCC(N)=O)c(F)c1 587916278 IJCNXZAJIZATKM-UHFFFAOYSA-N 331.774 3.305 30 1 EGEF COc1cc(O)c(C(=O)C=Cc2ccc3c(c2)OCO3)c(OC)c1 1857623332 HAIRUBAWLBUWML-UHFFFAOYSA-N 328.320 3.034 30 1 EGEF Cc1sc2c(c1C)C(O)=C(/C=N/c1ccccn1)S(=O)(=O)N2C 101869963 DMEPTUAMSVMRKH-CAOOACKPSA-N 349.437 3.169 30 1 EGEF C=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(C(=O)O)CC=C[C@@]3(C)[C@]2(O)CC1 2356512511 WIEULLALQDWNTC-NMLBUPMWSA-N 344.407 3.082 30 1 EGEF C#CCOc1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 587564142 PBWSFCJZRUEFOC-UHFFFAOYSA-N 328.169 3.399 30 1 EGEF C=CCN=c1[nH]c(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 587415099 WTNCGNKLYCFWAG-GOSISDBHSA-N 343.452 3.243 30 1 EGEF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sn1 587898651 KETNOJJVGRJQPJ-UHFFFAOYSA-N 339.247 3.469 30 1 EGEF C#CCOc1cc(C)ccc1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963015359 AUHXGBGOHVUGPU-NYHFZMIOSA-N 346.430 3.150 30 1 EGEF CC(=O)O/C=C(/CC=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O 13520385 BCMBHUXTOJVBDQ-UCHXLXQGSA-N 332.396 3.260 30 1 EGEF COc1cc(/C=C2\CC[C@](C)(CN(C)C)C2=O)cc(OC)c1OC 17198825 JDONRJDDBJXXDG-CECLQJIQSA-N 333.428 3.027 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(COC(=O)[C@H](C)CC)[C@H](O)C[C@H]12 2356585922 GFQXSAJTPGBBCT-BNEJOLLZSA-N 348.439 3.091 30 1 EGEF CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(OC(C)C)nc2)cc1 113410517 UHEVIPDTBPBBCN-INIZCTEOSA-N 336.435 3.336 30 1 EGEF C[C@@H]1C(=O)C=C2C(=O)[C@@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@@]1(C)[C@H]2C 2356709385 BCVHIFLJKAWFDN-LCVFPHMVSA-N 332.440 3.232 30 1 EGEF C=C1CC(=O)C=C(C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 299807014 RGTPNNMQGBLXOP-SWPUBWSESA-N 330.424 3.285 30 1 EGEF CC(=O)C1=CC=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 2356615334 AHHYSCJINWRGPT-LRYUTJMQSA-N 330.468 3.406 30 1 EGEF CC(=O)C1=CC[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C1 95604546 WYLOJAYZCULHLF-LJQANCHMSA-N 341.432 3.338 30 3 EGEF Cc1c(C(=O)/C=C/c2ccc(F)cc2)[n+](=O)c2ccccc2n1O 145358036 PCMQYOMMJOOMKZ-DHZHZOJOSA-N 325.319 3.137 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C)nn([C@H](C)C(=O)O)c1C 587903072 WAISBZMQGHONCB-GFCCVEGCSA-N 332.787 3.207 30 1 EGEF C[C@]1([C@@H]2COCCO2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963188403 APMGWRHUAUJVGG-FDFHNCONSA-N 348.446 3.440 30 1 EGEF N#CC[C@H](Cc1ccccc1)N1CCN(Cc2ccccc2)CCC1=O 12474727 ZWAOFFVQQQVWKU-OAQYLSRUSA-N 347.462 3.246 30 3 EGEF COc1ccccc1/C=C1\CN(CC(=O)O)c2c(C)cccc2C1=O 103220812 MMTSKULXDFDZPL-XNTDXEJSSA-N 337.375 3.175 30 1 EGEF CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@H]1CC=CCC1 26837470 CMMYHGLFWPAMJF-PZJWPPBQSA-N 325.452 3.193 30 1 EGEF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@](C)(O)[C@@]13C 2356519266 UMOPXPFDSBKPSK-BUOXHDRBSA-N 348.439 3.463 30 1 EGEF C=CCN(CC=C)C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@@]1(C)O[C@@H]21 43020386 QDSXJHZGROJHLH-KCXCJLFWSA-N 345.483 3.496 30 1 EGEF CCCc1c(O)ccc2c1O[C@@H](c1cc(C#CCO)cs1)CC2=O 587494635 MXPQHYCSPQAGHT-QGZVFWFLSA-N 342.416 3.457 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(O[C@H](C)C(N)=O)cc1 587908057 SYCJUZSESMRDIZ-GFCCVEGCSA-N 329.783 3.001 30 1 EGEF CCCc1c(O)ccc2c1O[C@@](C=O)(c1cccc(O)c1)CC2=O 587491396 VBNBBGIDCFSQGR-IBGZPJMESA-N 326.348 3.110 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2[nH]nc(C(=O)O)c2c1 587907489 OBOMCQIXYHVQIP-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF N#Cc1nc(Nc2cccc([N+](=O)[O-])c2)nc(NC2CCCCC2)n1 1772625864 BPWNJPXVAFVVPP-UHFFFAOYSA-N 339.359 3.140 30 1 EGEF Cc1cnc(-c2ccc([C@H]3[C@H](C(=O)NO)[C@@H]3c3ccccc3)cc2)nc1 203391341 VEYGHBGGCALTMA-GUDVDZBRSA-N 345.402 3.455 30 1 EGEF O=C(O)C1=C(Nc2ccccc2Cl)C(=O)c2ccccc2C1=O 102987616 BRBNPPMHZDTEDO-UHFFFAOYSA-N 327.723 3.170 30 1 EGEF C[C@]1([C@H](O)CO)CC[C@@]2(C)[C@@H]3CCC(=O)C(=CO)[C@@]3(C)CC[C@@H]2C1 2356648277 VEHQOXOBKPFBHP-PECOVMHTSA-N 336.472 3.373 30 1 EGEF O=C(/C=C/c1cn([C@H](/C=C/c2ccccc2)C2CCCC2)nn1)NO 72176737 ULOIGOITUFWHFP-SKRFNIBISA-N 338.411 3.241 30 1 EGEF CC1=C2C(=O)C3=C([C@H](O)[C@@H]2OC1=O)[C@@]1(C)CCCC(C)(C)[C@H]1CC3 2356852597 QRIJKODYPMIMSS-VWHWKWRLSA-N 330.424 3.095 30 1 EGEF N#Cc1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 43207732 YBZZUBMYXLOQMZ-IAGOWNOFSA-N 347.249 3.383 30 1 EGEF C#CCn1c(Cc2ccc(F)cc2)nc2sc(C)c(C)c2c1=O 49068616 SLHMZODZQTWRLA-UHFFFAOYSA-N 326.396 3.438 30 1 EGEF CCOC(=O)c1cnc2ccc([C@H](C)O)cc2c1SCCC#N 84726020 CCZXQYLWOCXJRD-NSHDSACASA-N 330.409 3.471 30 1 EGEF CC(C)(C)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1 169343948 DMWIEQWZHDUQHE-KGENOOAVSA-N 344.480 3.293 30 1 EGEF C#C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(-c2ccccc2)cc1 2356304970 JCFQXVYFIWOKOW-HSQYWUDLSA-N 344.458 3.427 30 1 EGEF COc1ccc(C(=O)C=Cc2cc(OC)c(OC)cc2OC)c(O)c1 2356316068 AXUGKAPKSQUOCO-UHFFFAOYSA-N 344.363 3.323 30 1 EGEF COc1ccc([C@@H]2C/C(=N\O)c3c(OC)cc(OC)cc3O2)cc1 49054292 SXGYUCUYOLSHAG-FHHIAAGZSA-N 329.352 3.415 30 1 EGEF COC(=O)c1c[nH]c2ncc(C#Cc3cc(Cl)ccc3OC)cc12 587910054 ISLAMTDZHHALGB-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF COc1ccc(-c2n[nH]c3c2[C@H](c2ccncc2)[C@@H](C#N)C(=N)O3)cc1 169690839 PPBWCQPVTJUMMN-HUUCEWRRSA-N 345.362 3.122 30 1 EGEF C=C1C(=O)N(c2cc(OC)cc(OC)c2)[C@H]1c1ccc(OC)c(O)c1 1857652967 FNZDOFJYKDPVDY-GOSISDBHSA-N 341.363 3.062 30 1 EGEF C[C@@H]1CCCC/C1=N/N=C1/SCC(=O)N1C(=O)c1ccccc1 1857753643 KIODJQOJQCNNIM-XYJDXHSSSA-N 329.425 3.324 30 1 EGEF COCn1nc(-c2ccccc2)c(C(=O)/C=C/c2ccccc2)cc1=O 28568819 XLKYVXUSUJVBTF-OUKQBFOZSA-N 346.386 3.410 30 1 EGEF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@H]([C@]3(C=O)O[C@H]3CO)C[C@@H]12 2356623786 MBVODZZHGAGOPM-GRHCOXQNSA-N 336.472 3.105 30 1 EGEF C=C(C)[C@]1(O)CCC2=C3O[C@@](C)(CCC2=O)[C@H](O)CCC(C)=C[C@H]31 2356799765 UVBDNFDYDHBUDB-WSTLGDPDSA-N 332.440 3.197 30 1 EGEF COc1ccc(N/N=C2\C(=O)Oc3ccc4ccccc4c3C2=O)cc1 72176985 QUZYOBNPQJBHKE-PYCFMQQDSA-N 346.342 3.418 30 1 EGEF CON=CCCC(F)(F)c1ccc([C@@H](C)[S@@](C)(=O)=NC#N)cn1 472781065 ZEFPWRSXVTWVRD-QVQLBTGDSA-N 344.387 3.226 30 1 EGEF CCCc1c(O)ccc2c1O[C@](CC#N)([C@H]1CCCOC1)CC2=O 587471014 XUSPVBLJPKAZPF-DJJJIMSYSA-N 329.396 3.389 30 1 EGEF CC[C@@](O)(CN)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587905703 FKMGHYFMVDBGBM-LJQANCHMSA-N 329.827 3.305 30 1 EGEF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(C#N)ccc2[nH]1 587039463 SAFCYSHLUPZOIK-UHFFFAOYSA-N 342.384 3.300 30 1 EGEF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C#N)cc(Cl)c2[nH]1 587094176 LRKONTFZVNIIBG-LURJTMIESA-N 330.697 3.218 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccsn1 587898771 MUELEGWIUMTYQN-UHFFFAOYSA-N 325.220 3.160 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c2[nH]cnc2c1 587911824 SMZXBXYPJCJLPN-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF CCOc1ccc2nc3c(cc2c1)CN(CCOC)/C(=N/C)S3 13111077 QMFOXZXFXUJYET-ZCXUNETKSA-N 331.441 3.173 30 3 EGEF CC(C)n1cnc2c(NCc3ccccc3)nc(C#CCCCO)nc21 13834573 IRWBBQZDHXNULE-UHFFFAOYSA-N 349.438 3.143 30 1 EGEF C/C(=N\NC(=S)NCC(C)(C)C)c1cc(F)cc(Cl)c1O 4300070 WANGGOHAYHOIRM-QGMBQPNBSA-N 331.844 3.419 30 1 EGEF CCCCCC[C@@H](O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O 26485253 UPDVODQXDMPCIM-CYBMUJFWSA-N 332.396 3.341 30 1 EGEF C/C(=N\NC(=S)Nc1ncc(C2CCC2)o1)c1ccccc1O 35995522 GPWDAZGNLCPQLR-VXLYETTFSA-N 330.413 3.358 30 1 EGEF N#CCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 36093145 WSCDAOFPALKTJR-UHFFFAOYSA-N 329.341 3.312 30 1 EGEF C=CCc1c(O)c(O)c2c(c1O)C(=O)C=C1C(C)=C(C)C(=O)C[C@@]12C 14659979 HNCCCXNPDZSUOK-FQEVSTJZSA-N 340.375 3.222 30 1 EGEF biogenic COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(C)cc(OC)c1C2=O 95618876 QNPINWFXONNRKM-XLFHBGCDSA-N 336.771 3.110 30 1 EGEF world C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@@]3(C)O[C@H]3[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238778409 PTUHWOJINFJBSD-BAWAYCLUSA-N 346.423 3.250 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@](C)(O)[C@H](O)C[C@H]12 238760129 HZAPTPBMBOIGCM-ABDOXVJHSA-N 334.456 3.443 30 1 EGEF COC(=O)C[C@@H](N)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587906210 UVBHMBLJRFRUBC-QGZVFWFLSA-N 343.810 3.311 30 1 EGEF COc1cc2c3c(c1)O[C@H](c1sc(N)c(C#N)c1Cl)[C@@H](C2)C3=O 587453806 UFOQNHAVPLLCTM-RTHLEPHNSA-N 346.795 3.353 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(F)c(S(C)(=O)=O)c1 587914704 BUHULOLHCGGSKX-UHFFFAOYSA-N 338.787 3.291 30 1 EGEF Oc1ccc(O)c(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c1 1772613767 SJXHWWNMOJJBKH-DNTJNYDQSA-N 340.408 3.427 30 1 EGEF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C=CC1=C[C@H](O)OC1=O 2356589111 AJJYJDWULCXJIR-WVSUBDOOSA-N 330.424 3.322 30 1 EGEF C=C1[C@@H](C=CC2=CC(=O)O[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@H]2C[C@H]1O 2356737794 GHNHHZAECXQMOM-OIMSXUDKSA-N 332.440 3.114 30 1 EGEF CCN(C)c1ncc(C(=O)N2CCCCC2)c(-c2ccc(C#N)cc2)n1 82217255 IVHSFOINPIZSNA-UHFFFAOYSA-N 349.438 3.097 30 1 EGEF CC(=O)[C@@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C 255286971 ZGODLWLWPALTFR-HFYYJUFZSA-N 328.452 3.470 30 1 EGEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O 257401887 CZEMYYICWZPENF-XPUYUFAOSA-N 348.439 3.076 30 1 EGEF endogenous,in-man COc1ccc(Cl)cc1C#Cc1c[nH]cc(Br)c1=O 587908073 KWCJBJBAWGQUOM-UHFFFAOYSA-N 338.588 3.199 30 1 EGEF CN(C)c1ncccc1-c1nc2c(Br)cc(C#N)cc2[nH]1 587195423 HGKYEQAAMBUJAB-UHFFFAOYSA-N 342.200 3.325 30 1 EGEF CCCCCCCCCC[C@@H]1NC(=N)N[C@@]2(CCCO2)[C@H]1C(=O)O 1772643038 XQIBJGYYXKVIHB-HDMKZQKVSA-N 339.480 3.221 30 1 EGEF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(C#N)c2)c1 1772612639 LRNKGINCBWKQIS-CYBMUJFWSA-N 346.390 3.448 30 1 EGEF C=C1C(=O)[C@@]23CC[C@@H]4[C@@](C)(C(=O)OC)CCC[C@@]4(C)[C@@H]2CC[C@]1(O)C3 17187360 CAZYNLSCRWNLPJ-RBWSHPMZSA-N 346.467 3.422 30 1 EGEF C=CCOc1ccc(N2CC[C@@]3(O)C(=O)c4cc(C)ccc4N=C23)cc1 1857630430 RPYGFDJGVWQIIL-OAQYLSRUSA-N 348.402 3.428 30 1 EGEF CN(C)c1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 28459439 QUDHMPBKTHQLEJ-UHFFFAOYSA-N 338.816 3.100 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)CCC=C(C)C[C@H](O)[C@H]12 2356422250 KKAPMISEUVNCQQ-HCXYKTFWSA-N 332.440 3.219 30 1 EGEF COc1ccc(/C=C2\Oc3c(cc(OC)c(OC)c3OC)C2=O)cc1 27207333 ZASPGTWURWBKOB-ZROIWOOFSA-N 342.347 3.337 30 1 EGEF C=C1CC[C@@H](C(C)=O)[C@@H](OC(=O)C=CC(C)(C)O)C=C(C)CCC1=O 2356460479 WNLDPFSWPBREOU-WMZOPIPTSA-N 348.439 3.076 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2C(=CC=CC(C)(C)O)COC(=O)[C@H]12 2356576266 UQKDIHVSLOQHAL-KZNAEPCWSA-N 332.440 3.076 30 1 EGEF CC=C(C)C(=O)OC1=CC(C)=CCC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]12 2356627565 NATYHFZQSYHMDF-RZRATATOSA-N 346.423 3.455 30 1 EGEF C=CCC1=C[C@]2([C@@H](C)Cc3ccc4c(c3)OCO4)OCOC2=CC1=O 2356690233 PZLCJTIYVMBKSJ-RNODOKPDSA-N 340.375 3.306 30 1 EGEF N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)nc2)n1 219286690 BOVYVZINFCPMKS-GXFFZTMASA-N 344.806 3.029 30 1 EGEF CC(C)c1cc2c(cc1O)[C@@]1(C)C[C@@H](C2=O)C(=O)C(C)(C)[C@@H]1C=O 85952906 DLYLYXIDKXMSDL-ZSOFBXJNSA-N 328.408 3.400 30 1 EGEF biogenic,in-vitro COc1ccc(CCC(=O)/C=C/c2ccc(O)c(O)c2)cc1OC 96906494 PUTZMDYOTOIIAG-XVNBXDOJSA-N 328.364 3.330 30 1 EGEF COc1cc2c(cc1O)C(=O)/C(=C/c1ccc(OC)c(OC)c1)C2 95577001 YJHCHTDPWWETEE-AWNIVKPZSA-N 326.348 3.240 30 1 EGEF N#Cc1ccccc1Oc1ccc(C(=O)NCc2ccncn2)cc1 299866135 OLIKAINVOFFOAJ-UHFFFAOYSA-N 330.347 3.071 30 1 EGEF N#Cc1nc(Cl)cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c12 587164019 XFMOMHVDJTUJIB-UHFFFAOYSA-N 328.734 3.438 30 1 EGEF N#C[C@@H](C(=O)Nc1ccc(SC(F)(F)F)cc1)C(=O)C1CC1 169714945 NYPCOHOWTLQKKY-LLVKDONJSA-N 328.315 3.356 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 104370390 QFINJHBXXJQKPB-MJIRQWJNSA-N 346.423 3.010 30 1 EGEF endogenous,in-man O=C(/C=C/c1ccc(CNC2C3CC4CC(C3)CC2C4)cc1)NO 68204495 AWSHEEWLEUGXPC-AATRIKPKSA-N 326.440 3.120 30 1 EGEF O=C(/C=C/C=C/c1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1 38820666 VJJPCEDEDJXHHK-ZPUQHVIOSA-N 326.348 3.280 30 1 EGEF biogenic,in-vitro CCCCCCCCCCCCn1c(=O)nc(O)c2[nH]c(=O)[nH]c21 44181572 ICPDLDAJUABCSP-UHFFFAOYSA-N 336.436 3.039 30 1 EGEF CC1=C[C@]2(O)C(=O)[C@@H](C)CCC(C)(C)[C@H]3CC[C@@](C)(/C=C/2C1=O)O3 238784119 DIFCOVWODQVBLT-QXLKLTIZSA-N 332.440 3.136 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(C#N)c2)N1 587770712 BDNACGSUADRAEG-FVMDXXJSSA-N 346.203 3.478 30 1 EGEF N#Cc1nc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2nc1C#N 587052991 XGQHRNQCCOEXPJ-UHFFFAOYSA-N 345.753 3.207 30 1 EGEF N#Cc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587526429 RHMLZKBUWXJTOI-OAQYLSRUSA-N 344.370 3.250 30 1 EGEF COc1cccc2c1N(CC#N)C=C[C@]21NCCc2ccc(F)c(C)c21 962147315 ORIIXHMFDOMXKE-NRFANRHFSA-N 349.409 3.389 30 1 EGEF CCCCCCCCCCS(=O)(=O)O/N=C(\N)c1cccnc1 169342921 RMZAOPNLOIFUCG-UHFFFAOYSA-N 341.477 3.189 30 1 EGEF O=C1CS/C(=N/N=C2CCCCCC2)N1C(=O)c1ccccc1 1857644675 CMVBAZKULBCBCC-HTXNQAPBSA-N 329.425 3.468 30 1 EGEF CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/c1cccc(Cl)c1Cl 104705574 WJJJBYXBMZWUBO-IPTMZHPMSA-N 347.223 3.420 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2C(=CC[C@@H]3OC3(C)C)CO[C@@H](O)[C@@H]12 2356540870 BKEVIEYLBYCAMR-ZSXDVEMLSA-N 334.456 3.109 30 1 EGEF C#CCN1C(=O)[C@@]2(CC(C)=C[C@H](C)O2)c2c(Br)cccc21 66129669 WGRYDSIFMAFLON-YVEFUNNKSA-N 346.224 3.379 30 1 EGEF C[C@H]1CN(/C(S)=N/N[C@@H](C)c2nccc3ccccc23)C[C@H](C)O1 33845801 BLJOMYNVSNUVKA-IHRRRGAJSA-N 344.484 3.195 30 1 EGEF CCCCCCCCNS(=O)(=O)C[C@H]1NCc2cc(F)ccc21 96020256 UGUVCHUOPIVFNE-QGZVFWFLSA-N 342.480 3.250 30 3 EGEF CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 253697569 AXKPRXFZRFZHFB-RUOSDFBUSA-N 339.479 3.273 30 1 EGEF Cc1ccc(Sc2nc3c(N)ncn(CCCC#N)c-3n2)c(C)c1 299866644 PGSVTCXIHDBDIQ-UHFFFAOYSA-N 338.440 3.432 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)c(C(=O)O)cc1[N+](=O)[O-] 587915984 YTLIGOHJJFOLHB-UHFFFAOYSA-N 349.701 3.494 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C2(O)CCNCC2)cc1 587906035 PSDBKAMRXMRBIB-UHFFFAOYSA-N 341.838 3.319 30 1 EGEF C[C@@H]1C[C@H](O)[C@]2(C)[C@H](C=O)[C@H](O)CC[C@H]2[C@@]1(C)CCc1ccoc1 2356410637 QISIBMBISMJJDX-FQALRZLUSA-N 334.456 3.212 30 1 EGEF C=C1C(=O)[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2[C@H](O)C[C@H]1C3 2356387734 FUHHXQHMWOVSNL-ZZKABWMFSA-N 346.467 3.278 30 1 EGEF COS(=O)(=O)c1cccc(-c2ccoc2C2=CN3CCC2CC3)c1 27212515 UXRUOZRDTXTVAI-UHFFFAOYSA-N 345.420 3.348 30 1 EGEF CC#C[C@@H](c1ccc(OCc2ccccc2)cc1)[C@H]1OC(=O)NC1=O 71341174 NANAVBKZZAPDSA-ZWKOTPCHSA-N 335.359 3.008 30 1 EGEF C[C@]1(C(C#N)C#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341879 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C[C@H]1CN1/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1 72103377 GGGLEWWANZXYEH-CKGXQMSISA-N 341.264 3.270 30 1 EGEF C[C@@]1([C@H](O)CO)CC[C@@]2(C)[C@@H]3CCC(=O)/C(=C/O)[C@]3(C)CC[C@@H]2C1 238783924 VEHQOXOBKPFBHP-QGLFHCLVSA-N 336.472 3.373 30 1 EGEF COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@](C)(O)C3)cc2)cc1 96927985 QGRLZMZABNBOQG-QFIPXVFZSA-N 349.430 3.082 30 3 EGEF N#CCN(Cc1ccccc1)Cc1cc([N+](=O)[O-])c2cccnc2c1O 95593192 CJFJGNGFFLNDIH-UHFFFAOYSA-N 348.362 3.374 30 1 EGEF C=CCN(C[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1)C(=O)OCC 587470640 VKZQHYVAHLNQHJ-CYBMUJFWSA-N 347.411 3.323 30 1 EGEF C[C@]1(c2ccccc2)CC(=O)N(CCOc2ccc(F)c(C#N)c2)C1 584905464 WMVNTKWNIVSPIC-FQEVSTJZSA-N 338.382 3.266 30 1 EGEF in-vitro CC1=CC(=O)C=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587823994 SVJOVHHXWKWVFC-QLJPJBMISA-N 336.204 3.403 30 1 EGEF COC1=C/C(=C/Nn2c(C3CCCCC3)n[nH]c2=S)C=CC1=O 13118941 BBXJQONAOKNEBG-ZHACJKMWSA-N 332.429 3.085 30 3 EGEF CC=C(C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1 2356454115 ZGXYCHGIDNWUEN-IBGZPJMESA-N 332.396 3.291 30 1 EGEF CCCCCCCCCCCCOC(=O)C1=C(O)O[C@H](CO)C1=O 100874691 BVJBQWPELQRMKG-CQSZACIVSA-N 342.432 3.180 30 1 EGEF COc1cc(OC)c2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O 53312708 WDTIPMPMWZGWMX-MFOYZWKCSA-N 325.364 3.386 30 1 EGEF CCC(CC)Sc1nc2cc(C#N)c(N3CCNCC3)cc2[nH]1 29050270 JFJIYUVKXBSGHF-UHFFFAOYSA-N 329.473 3.125 30 1 EGEF COc1cc(O)c(C(=O)/C=C/c2c(OC)cccc2OC)c(OC)c1 29053690 MKTGYSUVGDWVHR-CMDGGOBGSA-N 344.363 3.323 30 1 EGEF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](O)C(C)=CCCC(C)=CC[C@H]2O 2356498406 VQNZCESYUXUBIE-XFKSJGNHSA-N 334.456 3.443 30 1 EGEF C[C@@H]1[C@H]2O[C@H](c3ccoc3)C[C@]1(C)[C@H]1CC[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C 38822498 CIVBWAVGLGBOGB-KEHJQPELSA-N 344.407 3.245 30 1 EGEF N#Cc1cc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2cc1C(F)(F)F 587250032 WZIZQTYDCPRDBM-UHFFFAOYSA-N 346.268 3.401 30 1 EGEF C(#CCO[C@H]1CCCCO1)CCCCCc1nc2cncnc2[nH]1 586910244 NSXXAFIGOJEGMT-QGZVFWFLSA-N 328.416 3.002 30 1 EGEF N#Cc1ccc(-c2csc(N3C(=O)c4ccccc4C3=O)n2)cc1 1772605428 DSGFCOABPWEAKE-UHFFFAOYSA-N 331.356 3.482 30 1 EGEF O=C1N/C(=N\c2ccc([N+](=O)[O-])cc2)S/C1=C\c1ccc(O)cc1 103219950 RQMIWMBUOCPTOZ-ZROIWOOFSA-N 341.348 3.192 30 1 EGEF C=C(C)[C@H](C[C@@](C)(O)C1CCC(COC(C)=O)CC1)OC(C)=O 2356540113 MMUHWJFYDCOUMO-ZGUYJTEBSA-N 326.433 3.005 30 1 EGEF C=C1C(=O)[C@]23CC[C@H]4[C@@](C)(C(=O)O)CC[C@@H](O)[C@]4(C)[C@H]2CC[C@H]1C3 238757719 UWEUEOYKRAUFAO-NKHXWXMESA-N 332.440 3.190 30 1 EGEF CCCCCCCCc1ccc(/C=C/[C@@H](O)[C@H](CO)NC(C)=O)cc1 299822369 IFILXTQNTZUBMS-LCIJNYEZSA-N 347.499 3.461 30 1 EGEF COC(=O)Cc1ccc(C#Cc2cc(Cl)ccc2OC)c(OC)c1 587900128 IIDLCCTYAFPZND-UHFFFAOYSA-N 344.794 3.473 30 1 EGEF C[C@@]12CCC[C@@](C)(C=O)[C@H]1CC[C@@]13C=C(C(=O)O)[C@@H](C1)[C@@H](O)C[C@@H]23 1857632721 FRRMVIYHFXSNIO-IZXPBXFNSA-N 332.440 3.190 30 1 EGEF C=CCNC(=O)[C@](C)(C(C)C)N(CC(C)(C)C)C(=O)c1cccnc1 28953352 XBEUPGCEDXNJLX-FQEVSTJZSA-N 345.487 3.287 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CCC(C)=C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356773618 DRIVTODYQLWPNZ-TVFCKZIOSA-N 346.423 3.010 30 1 EGEF CN=c1scc(-c2ccc(OC)cc2)n1/N=C(\C)c1cccnc1 263592078 VTPJOKWUGUIYKR-FFETZITQSA-N 338.436 3.423 30 3 EGEF CN(C)CC#CCCC(=O)[C@](O)(c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 299805102 VCZVZKXCDQXJCF-JEEBJRHZSA-N 339.479 3.225 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc2c1OCCO2 587909946 DTGIDVIMOOQAOH-UHFFFAOYSA-N 344.750 3.218 30 1 EGEF CCOCCC/N=C(\O)[C@H]1CCCN(c2nc3ccccc3o2)C1 2912587 NRJMGQACFJSKOU-AWEZNQCLSA-N 331.416 3.427 30 1 EGEF O=C1C(Nc2ccc(Br)cc2)=CC(=O)c2ncccc21 26497550 DQKFPHMZVBFFGV-UHFFFAOYSA-N 329.153 3.219 30 1 EGEF O=C(CCCCCNC(=O)Cc1ccc(-c2ccccc2)cc1)NO 40937745 MDYPPEYXUGALKI-UHFFFAOYSA-N 340.423 3.078 30 1 EGEF C=CCn1c(COc2ccc(NC(=S)NCC)cc2)n[nH]c1=S 40956480 BJZLKLVMLTVEEY-UHFFFAOYSA-N 349.485 3.012 30 1 EGEF CCN(CCC(C)C)Cc1c(C)nc2cc(/C=C/C(=O)NO)ccn12 147975927 KUBOJIDLDSYTSD-VOTSOKGWSA-N 344.459 3.029 30 1 EGEF C[C@@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC(=O)C5=CC(=O)CC[C@@]54C)[C@H]2CC[C@H]13 255271731 UNIQWVUPQUJPFL-GCYFXSGLSA-N 342.435 3.239 30 1 EGEF CCCc1c(O)ccc2c1O[C@@](CC#N)([C@@H]1CCCOC1)CC2=O 587471012 XUSPVBLJPKAZPF-BFUOFWGJSA-N 329.396 3.389 30 1 EGEF O=C(C1CC1)N1c2ccccc2NC(=O)[C@@]1(C#CC1CC1)C(F)(F)F 14943978 JFMSCRAPNNSNDH-KRWDZBQOSA-N 348.324 3.096 30 1 EGEF COCCOc1ccc2c(C#N)cn(-c3ccc(C(=O)O)cc3)c2c1 202394279 VPRWMWQUPHFCDN-UHFFFAOYSA-N 336.347 3.226 30 1 EGEF C[C@]12CCC[C@@](C)(C=O)[C@H]1CC(=O)c1cc3c(cc12)C(=O)C=CC3=O 209689068 KLQSNFVWXFLFAS-QHAWAJNXSA-N 336.387 3.471 30 1 EGEF COc1ccc(/C=C2/C(=O)c3ccccc3[C@@H]2N2CCOCC2)cc1 1857612929 QAPFGGKOBMNFLP-SSUIOBEFSA-N 335.403 3.348 30 1 EGEF COc1ccc(-c2c3c([nH]c(=O)c2C#N)-c2ccccc2OC3)cc1 383356 QEWGCRFWOZRCSC-UHFFFAOYSA-N 330.343 3.482 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)[C@@H]3C[C@H]3C(=C)C[C@H](OC(=O)c3ccoc3)[C@H]12 2356287404 IJLKKSIWRVXSAM-IECFSIQFSA-N 340.375 3.445 30 1 EGEF C/C=C(/C)C(=O)O[C@H]1C(C)(C)[C@@H]2[C@H](O)C[C@@H](C)[C@@]23C=CC(=O)[C@@]13C 39158517 GGMZSZPEXMFREO-INZSCCEGSA-N 332.440 3.053 30 1 EGEF CC(C)CN(CC(C)C)C(=O)[C@@H](CC1CCCCC1)C(=O)NCC#N 34335230 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346.390 3.388 30 1 EGEF CC1=C2C[C@@H]3O[C@]3(C)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H](OC(=O)CC(C)C)C1 2356583674 DFAANSZXNZEUGY-KIAHUFCQSA-N 348.439 3.020 30 1 EGEF Cc1ccc(S(=O)(=O)/N=C(\O)Nc2c(F)cc(F)cc2F)cc1 26475196 LGUBPERRJCGTKD-UHFFFAOYSA-N 344.314 3.127 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C)c2c(c1)c(=N)[nH]n2C 587908545 ABUMLKIFEQHNBE-UHFFFAOYSA-N 325.799 3.356 30 1 EGEF N#Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587588749 RYMVDVOIDRFYNR-PXNSSMCTSA-N 344.326 3.362 30 1 EGEF C[C@H](N[C@H]1CCC[C@]1(O)C#Cc1ccc2c(c1)OCO2)c1ccccc1 5924632 AFOLPEJVKYBYSX-SSKFGXFMSA-N 349.430 3.401 30 1 EGEF COc1cc(C(=O)/C=C/c2ccc(O)c(O)c2)cc(OC)c1OC 13607852 YRADLNGHQMLFDH-GQCTYLIASA-N 330.336 3.020 30 1 EGEF C(#Cc1ccc2n[nH]nc2c1)CN1CCC(Cc2ccccc2)CC1 13813189 AEWQMIPGNFXAOS-UHFFFAOYSA-N 330.435 3.264 30 1 EGEF C[C@@H]1CCCC/C1=N\NS(=O)(=O)c1ccc(Br)cc1 101487190 UFKAWKPRQKMKDU-NIZNLAEJSA-N 345.262 3.294 30 3 EGEF COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@H]1C 29566629 LBXOJPHXVYLGAL-OTYXRUKQSA-N 338.201 3.143 30 1 EGEF CC(C)[C@]12CC[C@]34OC(=O)[C@]35CCCC(C)(C)[C@@H]5CC[C@@]4(O)[C@@H]1O2 2356736024 RNKHTKYLFIGYTD-YRBSRBFQSA-N 334.456 3.207 30 1 EGEF CCCC[C@@H](/C=C/c1ccccc1)n1cc(/C=C/C(=O)NO)nn1 72139627 ZSNWEOFWQAALIR-FCIGGOILSA-N 326.400 3.241 30 1 EGEF O=C1/C(=N\O)c2cc(Br)ccc2N1Cc1ccccc1 43058886 IMFPKOZSOIBHCF-VKAVYKQESA-N 331.169 3.174 30 1 EGEF C=C[C@@]1(C)C[C@]2(Oc3c1c(=O)oc1cccc(C)c31)OC(C)(C)[C@H]2O 85944832 WEPZBXOVWNYLTR-HOJAQTOUSA-N 342.391 3.194 30 1 EGEF COc1ccc2c(c1OC)C(=O)C1=C(O[C@@H](C(C)=C(C)C)C1)C2=O 40424748 YPDFXXZXSVVVMV-CQSZACIVSA-N 328.364 3.482 30 1 EGEF N#Cc1cc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1C#N 587174208 GHKYJIURCBWCKM-OAHLLOKOSA-N 344.353 3.169 30 1 EGEF C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@H]1OC(=O)C=C12 2356317769 RBULKOMEEZXUGR-HPPIYYCWSA-N 340.419 3.159 30 1 EGEF CC(C)=CCc1cccc2[nH]cc(C[C@@H]3NC(=O)/C(=C(/C)O)C3=O)c12 100066666 HLDTVPRYVAHRIQ-BQGMYUGNSA-N 338.407 3.119 30 1 EGEF in-vitro C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)[C@H]1CC(=O)C1=C[C@@H](O)OC1 2356545086 DFSMOOXWMAHZGO-ZNWBIBPKSA-N 332.440 3.198 30 1 EGEF CC[C@H](C)NC(=O)c1cnc(N2CCCC2)nc1-c1ccc(C#N)cc1 82158658 KYWRMJLCFZXLIN-AWEZNQCLSA-N 349.438 3.144 30 1 EGEF CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@@](C)(O)[C@@]13C 238742681 UMOPXPFDSBKPSK-MQZGAXJSSA-N 348.439 3.463 30 1 EGEF C=CCc1cccc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c12 587232447 XCLYVMUVBQYGDV-HZPDHXFCSA-N 341.455 3.328 30 1 EGEF N=c1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c[nH]1 586911220 WRFGDYTXNUSMKM-LJQANCHMSA-N 342.443 3.020 30 1 EGEF CCCCC/C=C\C[C@]1(O)C=CC(=O)/C1=C\C=C\[C@H](O)CCC(=O)O 13339061 MEOINZQEJRNAIG-PBMUXNFTSA-N 348.439 3.091 30 1 EGEF Cc1ccc(COc2ccc(-c3nn(CCC#N)c(=O)o3)cc2)cc1 13826699 GJNRJDZEAVIHND-UHFFFAOYSA-N 335.363 3.304 30 1 EGEF N#C[C@@H]1c2c(ccc3c2OCO3)C=C2c3cc4c(cc3CCN21)OCO4 205810984 PSYCZVJSBCHQQB-OAHLLOKOSA-N 346.342 3.078 30 1 EGEF C=C1C(=O)OC[C@@H]1[C@@H](O)c1cn(CC2CC2)c2ccc(Cl)cc12 1857549122 ZMZSASRGAKDEIN-RDJZCZTQSA-N 331.799 3.467 30 1 EGEF Nc1ccc(C#Cc2ccc(OCCOCCOCCF)cc2)cc1 28644181 NVTVZSUGMUHIIB-UHFFFAOYSA-N 343.398 3.050 30 1 EGEF N#Cc1ccc(NC(=O)c2ncc(-c3ccccc3)o2)c(C(=O)O)c1 28887079 NHOZXPFZLPLZQO-UHFFFAOYSA-N 333.303 3.164 30 1 EGEF CC(C)S(=O)(=O)N[C@@H]1Cc2ccc(-c3cccc(C#N)c3)cc2C1 35941921 ZPTQWHBZIDRECZ-LJQANCHMSA-N 340.448 3.020 30 1 EGEF CN(C)c1ccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)cc1 35845964 QYMUGFPITKWDMB-VXLYETTFSA-N 343.456 3.329 30 1 EGEF N#Cc1c(Nc2ccc(F)cc2)[n+](=O)c2ccc(Cl)cc2n1O 377841457 XMBYEYFJLJBERW-UHFFFAOYSA-N 331.714 3.201 30 1 EGEF COC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C(=O)C=C1C(C)(C)C 587403477 MZBZJYOJXVWDPQ-HXUWFJFHSA-N 341.407 3.367 30 1 EGEF CCOC(=O)Cn1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C 587902827 QGQLCBTXYWFBPJ-UHFFFAOYSA-N 346.814 3.125 30 1 EGEF Cc1cc(C)c(C#N)c(SC(=S)NC(=O)c2ccccc2)n1 5930769 VJJIEGWDMALMNC-UHFFFAOYSA-N 327.434 3.377 30 1 EGEF N#Cc1cccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)c1 200827300 XIMHGBHMUXZAPE-UHFFFAOYSA-N 329.315 3.291 30 1 EGEF CC(=O)O[C@@H]1C=CC(=O)[C@]2(CC(=O)O[C@H]2C=C(C)CCC=C(C)C)C1 2356497506 PXCPYWFVMWHLIE-IMFGXOCKSA-N 346.423 3.442 30 1 EGEF O=C(Nc1ccc(Cl)cc1)[C@@]12C[C@H]1/C(=N\O)c1ccccc1O2 101382059 ZRURMLHGCOJTNX-BAYRNZLNSA-N 328.755 3.308 30 1 EGEF in-vivo Cc1ccccc1CN(c1ccc(C#N)cc1)[C@@H]1CCN(CC#N)C1 2356632570 OHQMHXSTTCFLLJ-OAQYLSRUSA-N 330.435 3.471 30 1 EGEF C=C1CC[C@@H]2C(=CC=CC(C)(C)O)COC(=O)[C@H]2C(=C)CC[C@@H]1O 2356712649 JSQQYBKNOUUYPJ-SQNIBIBYSA-N 332.440 3.076 30 1 EGEF COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)n1ccnc1 72102728 KCMKDWQNNXCMMG-FXBPSFAMSA-N 338.367 3.380 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@H]12 238773608 JJFSJHYLXOTBEF-NXEAUFAASA-N 346.423 3.010 30 1 EGEF CCOc1ccc([C@@]2(C=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399812 MMCJWUXSHXPDPE-IBGZPJMESA-N 325.364 3.036 30 1 EGEF C=C1CC[C@@H]2C[C@@H](OC(=O)C2=C)[C@@](C)(O)CC/C=C(\C)CC[C@@H]1O 15049242 DCUOGCPPMKAPLI-IBHNXXKKSA-N 334.456 3.443 30 1 EGEF CCOc1ccc(C#Cc2ccc([C@@H](C)NC(=O)[C@H](C)O)cc2)cc1 169706266 WNFSSHPMPIQPIE-CVEARBPZSA-N 337.419 3.043 30 1 EGEF COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC 3213114 LYLUEUXBYYJESL-QGZVFWFLSA-N 344.411 3.043 30 3 EGEF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(C)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356615740 IZTIJXKODZYJIM-YNIGFRRXSA-N 346.423 3.250 30 1 EGEF CCN1CC(C)(C)[C@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O 72120096 HIUHLZADQOFGBE-CYBMUJFWSA-N 326.318 3.213 30 1 EGEF CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cn(C)nc1C)CC2=O 587474127 BQOCXQHMSWJYIQ-LJQANCHMSA-N 339.395 3.161 30 1 EGEF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(O)cc(C#N)c3)nc2c1 587189802 FLTILTCDCAOTTO-UHFFFAOYSA-N 327.727 3.247 30 1 EGEF C=CC(C)(C)c1c(O)c(/C=C/C(=O)O)c(O)c2c1OC(C)(C)CC2=O 5762112 ZHBFXUSQQRFIRT-BQYQJAHWSA-N 346.379 3.403 30 1 EGEF C=CCOC(=O)C1=C[C@@H](c2ccccc2)[C@H](CCCO)[C@@H](OCC)O1 6595413 QGKZZOHFEXCGJM-ZWOKBUDYSA-N 346.423 3.165 30 3 EGEF C=C[C@]1(C)CC2=CC[C@H]3[C@](C)(C(=O)O)C[C@H](O)C[C@]3(C)[C@H]2C[C@H]1O 59589071 FADJIPYNWIKCST-WTPAFRAOSA-N 334.456 3.148 30 1 EGEF biogenic,in-vitro C=C(C)[C@@H]1C[C@H](OC(=O)CC(C)C)[C@]2(C1)C(C)=CC(=O)[C@@H](O)[C@@H]2C 2356438553 JWNHKPFBTAUOPJ-KZXACLCXSA-N 334.456 3.443 30 1 EGEF Cc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cc2)CCN(C)C1 84620120 PVWRCAZTXZIOII-UHFFFAOYSA-N 349.434 3.105 30 1 EGEF COc1ccccc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 84602813 RVFZCGDHLWMVLL-VQHVLOKHSA-N 328.280 3.408 30 1 EGEF O[C@@]1(C#Cc2ccc(OCc3ccccc3)cc2)CN2CCC1CC2 95615562 YFCLBTGNURKPPX-QFIPXVFZSA-N 333.431 3.074 30 1 EGEF CNc1nc(C)c(-c2nc(Nc3ccc(O)cc3)ncc2C#N)s1 95593919 YVRLFXOPNVVCQT-UHFFFAOYSA-N 338.396 3.271 30 1 EGEF N/C(=N\c1ccc2c(c1)CCCCN2[C@H]1CCNC1)c1cccs1 140631641 QOPUQHFOHQNUNW-INIZCTEOSA-N 340.496 3.290 30 1 EGEF Cc1cccc(C)c1N/N=C1/C(=O)c2cccc([N+](=O)[O-])c2N=C1O 96910601 AXNXGKFEPRZUPS-HKWRFOASSA-N 338.323 3.464 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc2c[nH]nc12 587907372 KQLVWXZMRRVGHJ-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF COC(=O)c1cc2nc(-c3ccc(F)cc3C#N)[nH]c2cc1OC 587158598 PISIYDRXFSFQFX-UHFFFAOYSA-N 325.299 3.036 30 1 EGEF N#Cc1ccc(Nc2nc(N)nc(Cc3ccccc3Cl)n2)cc1 5933917 ZXMDGTSSUICZLH-UHFFFAOYSA-N 336.786 3.313 30 1 EGEF C/C=C1\C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 153528599 AGSIHXUUMSXXHC-JBCFYJTBSA-N 332.484 3.486 30 1 EGEF Cn1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1=O 3820376 FNCCIRFBYGUBRQ-UHFFFAOYSA-N 344.349 3.378 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)[C@H](C)CC)[C@@H](O)[C@H]12 2356505871 SKCXSNIQFDWWOF-FUEZWAHWSA-N 348.439 3.089 30 1 EGEF C=C1C2=C(C=C[C@]13CC=C[C@@H]1C(=O)OC[C@H]13)C(=O)O[C@@H]2c1ccoc1 2356628246 MLEAQSTVNIJVEZ-ISNZEAQHSA-N 336.343 3.036 30 1 EGEF C=C1CC[C@@H]2[C@]3(C)CO[C@@H]3CC[C@]2(C)[C@@H]1CC=C1C(=O)OC[C@@H]1O 2356648711 NSMZHQPCABSPEV-KWVJBRQOSA-N 332.440 3.008 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCCC(CO)=CCC[C@]3(C)O[C@@H]3C[C@H]12 2356803000 WQBZQSVRVUHGCG-MLYOOKFZSA-N 332.440 3.461 30 1 EGEF CCOC(=O)[C@H](C)Cn1cc(C#Cc2cc(Cl)ccc2OC)cn1 587909428 RSMGUVWOOVDUTJ-CYBMUJFWSA-N 346.814 3.144 30 1 EGEF C[C@]1(CCCC=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600597 BKAXAZRXXASCNL-VQIMIIECSA-N 326.348 3.482 30 1 EGEF C#CCN1C(=O)[C@@]2(OCCC=C[C@H]2C)c2c(Br)cccc21 66148530 GUVGFTQUWATYAW-PXAZEXFGSA-N 346.224 3.237 30 1 EGEF CC(=O)OC=C(CC=O)[C@H](CC=C(C)C#CC=C(C)C)OC(C)=O 2356664588 BCMBHUXTOJVBDQ-IBGZPJMESA-N 332.396 3.260 30 1 EGEF CC(=O)C1=CC[C@H](c2ccco2)N(S(=O)(=O)c2ccc(C)cc2)C1 95599819 WKIHBHASNWRYPQ-QGZVFWFLSA-N 345.420 3.239 30 3 EGEF NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccn3)cc2)cc1 299838513 UWQJQPAXOZOEIZ-FYJGNVAPSA-N 337.404 3.147 30 1 EGEF COc1ccc(/C=C/C(=O)c2cc(N(C)C)c(O)c(N(C)C)c2)cc1 653894789 IINYPAJOQIGOSR-DHZHZOJOSA-N 340.423 3.429 30 1 EGEF C/C(CC(C)C)=N\N=C1/SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 653793272 PYXNTTOYUHHAJY-XCXBMYBGSA-N 348.428 3.448 30 1 EGEF C#Cc1cccc(-c2nc3cc(I)cnc3[nH]2)c1 586881129 SUJAFVAMWILVQW-UHFFFAOYSA-N 345.143 3.211 30 1 EGEF NC(=S)N/N=C/c1cn(CCCc2ccccc2)c2ccccc12 1772629189 PPGZQVCFXZDHJH-FYJGNVAPSA-N 336.464 3.441 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)C(C)=CC)[C@H](O)[C@H]12 2356553253 SLFNZRXROGKMKG-TVFCKZIOSA-N 346.423 3.010 30 1 EGEF C=CCC1=C[C@@]2([C@H](C)Cc3ccc4c(c3)OCO4)OCOC2=CC1=O 2356690234 PZLCJTIYVMBKSJ-XCLFUZPHSA-N 340.375 3.306 30 1 EGEF O=C1C=C[C@H]2[C@@H](c3ccc4c(c3)OCO4)C[C@@H]1N2Cc1ccccc1 36386169 ONQQYFYIKCBECT-SQNIBIBYSA-N 333.387 3.281 30 1 EGEF COC1=C2C(C)(C)C(=O)C=C[C@]2(C)c2c(cc(C)c(O)c2OC)C1=O 15148266 NFXOMXKBNLIRLC-HXUWFJFHSA-N 342.391 3.229 30 1 EGEF biogenic COc1cc(/C(=N/O)c2ccc3c(ccn3C)c2)cc(OC)c1OC 40380629 VMIPKDPPBRDGPN-CZIZESTLSA-N 340.379 3.431 30 1 EGEF CC[C@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1)c1ccccc1 13806467 DHVGGTZGEINXLS-ONHQEKTCSA-N 331.375 3.129 30 1 EGEF CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/C[C@H]1CCCO1 102908997 ZAKOOGVJWGMVEO-RVZJCZPVSA-N 331.391 3.267 30 1 EGEF Nc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccc(F)cc1 27443149 PBCRIASDIBXKSF-JJIBRWJFSA-N 347.353 3.344 30 1 EGEF COc1cc(/C=C/C(=O)O/N=C/c2cccs2)cc(OC)c1OC 473120385 CSKVVZKHLOHREL-VBLHKXDKSA-N 347.392 3.364 30 1 EGEF N#Cc1cc(Br)c2[nH]c(-c3c(N)cccc3O)nc2c1 587249836 KMRDBFCLTRMPLR-UHFFFAOYSA-N 329.157 3.152 30 1 EGEF COc1ccc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c(OC)c1C 587788327 XUAKKSOQLRRLTH-UHFFFAOYSA-N 328.759 3.476 30 1 EGEF C#C[C@@]1(C(OCC)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587523131 NRKWUKPZAXIFFN-FQEVSTJZSA-N 328.408 3.302 30 1 EGEF CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C 13783617 XQOSNJUURCKQGN-MAQIEUTKSA-N 344.451 3.197 30 1 EGEF biogenic COc1cccc(-n2ncc3c(N/N=C/c4ccccc4)ncnc32)c1 14946175 HBTQSEPYSIFTCO-SSDVNMTOSA-N 344.378 3.270 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)[C@@H](OC(=O)[C@@H](C)CC)C[C@@H]12 155804196 SQRYPCTWZQIPKH-IUYSQWTASA-N 348.439 3.089 30 1 EGEF biogenic CC/C(O)=C1/C(=O)N(O)c2cc(NC(=O)c3cccs3)ccc21 103238415 HKTKILNPKQFCMH-OWBHPGMISA-N 330.365 3.415 30 1 EGEF CC1=CC2=C[C@](C)(O)C[C@@]23OC(=C(C)C3=O)CC(C)(C)C=CC1=O 2356423998 NJYLTGCMNHNUHS-VQTJNVASSA-N 328.408 3.181 30 1 EGEF CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CO)c(F)c1 44418932 WTRJANFIQOERCQ-SFHVURJKSA-N 340.439 3.213 30 1 EGEF CCCCNc1ncc(C(=O)NCC2CC2)c(-c2ccc(C#N)cc2)n1 82154639 TUMMPGCWOZDODN-UHFFFAOYSA-N 349.438 3.367 30 1 EGEF C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN(CC=O)C5)[C@@H]3C2)[C@@H]1O 238747956 LURSBITWFYVYMN-YPMIVSHASA-N 343.511 3.421 30 1 EGEF COc1cc2c3c(c1)O[C@@](CC#N)(c1ccccc1OC)[C@@H](C2)C3=O 587427059 GOHQHFXURVDVFB-YWZLYKJASA-N 335.359 3.260 30 1 EGEF COc1cc(C#Cc2cc(Cl)ccc2OC)c2c(c1)NC(=O)CO2 587911395 RKYLSGXWZOJCTH-UHFFFAOYSA-N 343.766 3.088 30 1 EGEF COC(=O)c1ccnc2[nH]cc(C#Cc3cc(Cl)ccc3OC)c12 587911548 VJQBGICWWGIWCR-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF C=CCc1cccc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c12 587232446 XCLYVMUVBQYGDV-HOTGVXAUSA-N 341.455 3.328 30 1 EGEF CCN=c1[nH]cc(C#Cc2cc(Cl)ccc2OC)c(C)c1[N+](=O)[O-] 587908830 DIXAMYRCDDFFAY-UHFFFAOYSA-N 345.786 3.214 30 1 EGEF N#Cc1c(N)cccc1S(=O)(=O)c1cc(Cl)cc(Cl)c1 8997 CHUHSBRSLSCCSX-UHFFFAOYSA-N 327.192 3.280 30 1 EGEF CN(C)c1ccc(C=CC(=O)c2c(O)n(C)c3ccccc3c2=O)cc1 2356825491 HDITXSNJSCXNEC-UHFFFAOYSA-N 348.402 3.206 30 1 EGEF O=C(NO)c1ccc(-c2ccc(CNCc3ccccc3)cn2)s1 35941900 OPIYGGWYEOSIPY-UHFFFAOYSA-N 339.420 3.219 30 1 EGEF CC[C@H](C)Nc1ncc(C(=O)NCC2CC2)c(-c2ccc(C#N)cc2)n1 82158615 PFLCXFNXZLAOOJ-ZDUSSCGKSA-N 349.438 3.365 30 1 EGEF COc1cc2c(cc1OC)[C@H]1C/C(=N/O)[C@H]3CCCC[C@H]3N1CC2 195399153 CADPBCPVJBOUEG-YYTZUBMYSA-N 330.428 3.396 30 1 EGEF CC[C@@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2ccc(C#N)cc2)n1 82159601 AJQGCMZZBUCOPT-CYBMUJFWSA-N 337.427 3.318 30 1 EGEF C=CCN(CC)C(=O)[C@]1(c2ccccc2)[C@@H](CN)[C@H]1c1ccccc1 261165269 RTMQOOCMZQWPBD-TUNNFDKTSA-N 334.463 3.331 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(=O)c(Br)c[nH]1 587910440 ASBSHLXKDYNVJT-UHFFFAOYSA-N 338.588 3.199 30 1 EGEF C#CCn1cc(/C=C(/C(C)=O)n2cc([N+](=O)[O-])nc2C)c2ccccc21 1857619569 BCOFUJLDPGPTLV-ZDLGFXPLSA-N 348.362 3.275 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@]3(CO)O[C@@H]3C[C@H]12 101851063 PRUIDJLINDRLON-LDRBAHJUSA-N 332.440 3.461 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CCC(C)=C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356609530 DTOFRQNTRKNUMY-PANQXIRQSA-N 346.423 3.250 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C(C)(C)[C@@H]2[C@H](O)C[C@H](C)[C@]23C=CC(=O)[C@]13C 2356642408 GGMZSZPEXMFREO-UYKPRJTPSA-N 332.440 3.053 30 1 EGEF C/C=C(/C)C(=O)Oc1ccc(OC(=O)[C@@]2(C)O[C@@H]2C)c([C@H]2O[C@@H]2C)c1 238746665 IKALAAUPDYFZAW-CGEABDALSA-N 346.379 3.101 30 1 EGEF CCCCCCCC(=O)NCCCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587228617 USNSNBJYWLUKKV-UHFFFAOYSA-N 347.419 3.275 30 1 EGEF N#CC[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586013 APFQVGINBANEEC-FXAWDEMLSA-N 346.342 3.491 30 1 EGEF Oc1nc(NCc2ccccc2)c2nc(C#Cc3ccccc3)nc-2[nH]1 587953966 XYOSJOSYQUDPJR-UHFFFAOYSA-N 341.374 3.022 30 1 EGEF C=C1[C@H]2CC[C@]3(O)[C@]4(C)CCC[C@](C)(C(=O)O)[C@H]4CC[C@@]3(C2)[C@H]1O 13329410 ZWMCKTRPQRKFAP-JZQPTAQHSA-N 334.456 3.126 30 1 EGEF biogenic C=C1C(=O)O[C@@H]2C=C(C)C(=O)CC=C(C)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356463588 FKDIIXZIKCNXAT-KZNAEPCWSA-N 344.407 3.218 30 1 EGEF N#Cc1cnn2c(Nc3ccccc3)nc(Nc3ccccc3)nc12 28708014 VBWUXPYLIFKDMU-UHFFFAOYSA-N 327.351 3.483 30 1 EGEF N#Cc1cc(-c2ccnc(Nc3ncco3)n2)ccc1N1CCCC1 113826278 NOSXZTRDDMBTGQ-UHFFFAOYSA-N 332.367 3.347 30 1 EGEF CC1=C2C[C@@H]3O[C@]3(C)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]2[C@@H](OC(=O)CC(C)C)C1 2356583673 DFAANSZXNZEUGY-HTMGNAEPSA-N 348.439 3.020 30 1 EGEF COc1ccc(C(=O)C=C(O)c2ccc3c(c2)OCO3)c(OC)c1 2356603699 MFEZQKKSZCXUBX-UHFFFAOYSA-N 328.320 3.214 30 1 EGEF C=C1C(=O)O[C@@H]2[C@H](O)C(C)=CCCC(C)=C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 2356654265 YTTWVUJVOFNFPP-IHXXTUNLSA-N 348.439 3.089 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=CC2=CC(=O)C[C@@H](C)[C@]21C 2356729198 MLPADAGLUVTHDI-CZYCVGMRSA-N 342.391 3.177 30 1 EGEF N#C[C@@H]1[C@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)C1CCC1 95668011 TUPKURYWMXMENJ-AABGKKOBSA-N 336.435 3.233 30 1 EGEF C=CCc1cccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c12 586950907 FYLZRDBDEKKXKC-UHFFFAOYSA-N 348.453 3.095 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(Cl)cnc1CC(=O)O 587903447 RMKAQQJYLKLHTM-UHFFFAOYSA-N 336.174 3.424 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(C[C@@H](C#N)CO)c1 587904773 WUNAPTYGCXBQCO-INIZCTEOSA-N 325.795 3.423 30 1 EGEF COC(=O)c1nc(C2CC2)ncc1C#Cc1cc(Cl)ccc1OC 587902759 ADPIFDOMPCZWSE-UHFFFAOYSA-N 342.782 3.202 30 1 EGEF CCN(C)CC#CCCC(=O)C(O)(c1ccccc1)c1ccccc1 13825143 RWECRWJMPZAKFN-UHFFFAOYSA-N 335.447 3.227 30 1 EGEF CC#Cc1cncc(-c2ccc3c(c2)[C@]2(CCC3)N=C(C)C(N)=N2)c1 169708680 YTTGJOLKFFUHCP-OAQYLSRUSA-N 328.419 3.441 30 1 EGEF C#C[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)c4cc(OC)ccc4[C@H]3CC[C@@]21C 2356782734 KEBORPGMLOMTJD-YBZCJVABSA-N 326.436 3.407 30 1 EGEF CC[C@@]12CCC(=O)C(Br)=C1c1ccc3n[nH]nc3c1C2 34028804 PJGGLTSPHFWUOS-HNNXBMFYSA-N 332.201 3.379 30 1 EGEF C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN(CC=O)C5)[C@H]3C2)[C@H]1O 14857658 LURSBITWFYVYMN-YRCTWBNTSA-N 343.511 3.421 30 1 EGEF biogenic C/C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2CC1 43068439 LKLFXWMFYTWMGH-RSUVYUHJSA-N 333.472 3.308 30 1 EGEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)C1=CC(=O)O[C@H]1O 138904139 HYOANESYDNMXHG-CZMKXJCESA-N 334.456 3.338 30 1 EGEF C#Cc1cccc2c1[C@@]1(CC(=O)c3ccc(O)c(CCC)c3O1)C(=O)N2 587485736 QTEUFXSXQYEBIJ-NRFANRHFSA-N 347.370 3.139 30 1 EGEF C=CCN1CCN(c2nc3ccc4ncccc4c3n3cccc23)CC1 13762494 ILDJOTZORZWBSP-UHFFFAOYSA-N 343.434 3.344 30 1 EGEF S=C(NCCc1ccccc1)N/N=C\c1ccnc2ccccc12 1857562990 XCQZQWXQMHXWCP-HMAPJEAMSA-N 334.448 3.276 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@@H](OC(=O)CC(C)C)[C@H]12 2356621377 ZEPVGWURVYMKCE-LMMKCTJWSA-N 348.439 3.091 30 1 EGEF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@@H]21)[C@@]1(CO1)C3 2356825876 HURSLIFUDKOZCY-LRUMGHSPSA-N 348.439 3.174 30 1 EGEF CCn1ncc2c(-c3cncc(Br)c3)c(C#N)c(C)nc21 38214439 LSVVPYPAUAFLCY-UHFFFAOYSA-N 342.200 3.456 30 1 EGEF C=C1C(=O)O[C@H]2C[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H](OC(=O)C=C(C)C)[C@H]12 238738086 VKLNEZVZWPYGAE-PBWCKCIVSA-N 346.423 3.250 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccncc1F 587895340 FQUDFIUFUXSQTO-UHFFFAOYSA-N 337.181 3.238 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(NC(C)=O)c([N+](=O)[O-])c1 587908801 CIOAOANETFVWMO-UHFFFAOYSA-N 345.742 3.010 30 1 EGEF Cc1cccc(COc2ccc(-c3nn(CCC#N)c(=O)o3)cc2)c1 13826697 PANXUDFHDQCZBX-UHFFFAOYSA-N 335.363 3.304 30 1 EGEF COc1cc2nc([C@@H](N)CC(C)C)nc(C#N)c2cc1-c1cnco1 1857597822 BJGMRGWCOBKGME-ZDUSSCGKSA-N 337.383 3.211 30 1 EGEF C[C@@H](CS)C(=O)N(CC(=O)O)[C@H]1CCCC[C@@H]1c1ccccc1 28260257 MXVGENQUBZJOOE-IMJJTQAJSA-N 335.469 3.192 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C[C@@H]2O[C@]23Cc2occ(C)c2[C@H](O)[C@]3(C)[C@H]1C 2356568194 HLIIVYQEGUVQGH-QEOJZFOYSA-N 346.423 3.239 30 1 EGEF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]21O[C@H]1CO 49031530 FMOHTQBFGJULLE-OCHQKFOUSA-N 332.484 3.440 30 1 EGEF Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)c(/N=C/C(=O)O)c12 40504125 VVFRSJQEJDKMIC-ODCIPOBUSA-O 348.382 3.408 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(C#N)c2)N1 587770709 BDNACGSUADRAEG-ABKXIKBNSA-N 346.203 3.478 30 1 EGEF CCCN1[C@H](C)Cc2ccccc2[C@]12C=C(OC)C(=O)C=C2OC 963229556 NTDCLRWOZALYSR-VLIAUNLRSA-N 327.424 3.182 30 1 EGEF CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/C[C@@H]1CCCO1 102908993 ZAKOOGVJWGMVEO-SLDJAQPHSA-N 331.391 3.267 30 1 EGEF CC1=CC(=O)[C@H]2[C@H]3[C@H]1[C@@]2(C)[C@@H](OC(=O)CC(C)C)C[C@@H](O)C3(C)C 2356597687 RDXOGOHCELXCJV-JLWLBXNFSA-N 334.456 3.133 30 1 EGEF O/N=C(\NCc1ccccc1F)c1cccnc1OCC(F)(F)F 72184637 FEZCPRWOQXWSAX-UHFFFAOYSA-N 343.280 3.087 30 1 EGEF CCCCCCCCS(=O)(=O)Nc1ccc(O)cc1C(=O)O 44419331 VDGJSDSBVHSIHV-UHFFFAOYSA-N 329.418 3.193 30 1 EGEF CC(C)C1=C[C@@H](C=O)[C@H]2C(=C1O)OC(=O)[C@@]21CCCC(C)(C)[C@@H]1C=O 238780392 IKFUOVBMEQRIIS-LTKYSVDLSA-N 346.423 3.352 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(C2(C(=O)O)COC2)c1 587904467 MQKYDLHAGOJHOG-UHFFFAOYSA-N 342.778 3.101 30 1 EGEF C=CCN1C(=O)S[C@@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)C1=O 587039071 PAYOUGSZNKADBO-NSHDSACASA-N 339.779 3.148 30 1 EGEF N#Cc1cc(O)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587189305 AGJYAYIJLFSCPR-UHFFFAOYSA-N 339.664 3.221 30 1 EGEF Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccnc2)[C@@H](C#N)C(=N)O3)cc1 169689697 HXOOLHMZUKVKCE-CABCVRRESA-N 329.363 3.421 30 1 EGEF N#Cc1ccc(-c2cnc3cnc(-c4cccc(C(N)=O)c4)cn23)cc1 1857601746 RUUYFHFXYIFZKW-UHFFFAOYSA-N 339.358 3.034 30 1 EGEF COC(=O)C1=C[C@@H]2[C@H](C[C@]3(C)O[C@@H]3CC1)[C@H]1[C@]2(C(C)C)CC[C@@]1(C)O 2356395081 KOSKWRWCBDIGCT-JXVIKTFJSA-N 348.483 3.477 30 1 EGEF CC#CC(=O)N1CC[C@@H](c2ccc(OC)c(OC3CCCC3)c2)C1 29253500 ZBYOJSFWWJDESD-MRXNPFEDSA-N 327.424 3.356 30 1 EGEF CC(=O)C(C)=COC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 2356363985 SKWHTELMVBBPHJ-KRWDZBQOSA-N 328.364 3.385 30 1 EGEF C=C1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@]5(C)C(=O)O[C@H]([C@@H]54)[C@H](O)[C@@]3(C2)[C@@H]1F 2356709454 FIJZLOOHEQMRJW-CFKFPQRESA-N 334.431 3.410 30 1 EGEF C=CC=CCC1=C(C)[C@H](OC(=O)[C@@H]2C[C@H]2C=C(C)C(=O)OC)CC1=O 2356774302 UZMCMZCHUMYZFH-QGPMSJSTSA-N 344.407 3.075 30 1 EGEF COc1ccc2[nH]c(CCCO)c(/C=C/C(=O)c3ccncc3)c2c1 299860616 JLHFHEKVDPYZNC-FNORWQNLSA-N 336.391 3.393 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C[C@H](C(=O)O)O2 587908585 BZEHYEPJMOMRDF-QGZVFWFLSA-N 328.751 3.137 30 1 EGEF Cn1cc(-c2ccncc2)c(-c2ccc(C#Cc3nccn3C)cc2)n1 209443643 VOTPUSFVQRQNKT-UHFFFAOYSA-N 339.402 3.282 30 1 EGEF C=C1[C@@H]2C[C@@H]2[C@]2(C)C[C@@H]3OC(=O)C(COC(=O)C=C(C)C)=C3C[C@@H]12 2356431314 LAOPDVQCVJUDMV-VAXKSQPESA-N 328.408 3.340 30 1 EGEF C[C@@H](O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356492696 AIPVEEYYOOGTAW-GVKVQOSPSA-N 332.484 3.486 30 1 EGEF O=C1Nc2ccc(Cl)cc2[C@@](C#CC2(O)CC2)(C(F)(F)F)O1 6567408 BHOCYCABHGMRFS-ZDUSSCGKSA-N 331.677 3.188 30 1 EGEF COC1=CC=C/C(=C2\N=C(NC3CCCC3)c3ccccc3N2)C1=O 100493438 IWNWTALHIAYPOU-HMMYKYKNSA-N 335.407 3.272 30 3 EGEF C=C[C@]1(C)CC(=O)C2=C(CC[C@@H]3C(C)(C)OC(=O)CC[C@]23C)[C@@H]1O 2356796509 NIMXJYFXUBSDPY-FPWFTKFVSA-N 332.440 3.341 30 1 EGEF Cc1ccc(/C(=N/O)N2CCSC2)c(Oc2cccc(F)c2)n1 72186195 QSYMPUAUYSHTPM-CYVLTUHYSA-N 333.388 3.464 30 1 EGEF C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CCCO 299848860 NNUPASPCKWGLHG-ZCPXKWAGSA-N 342.479 3.245 30 1 EGEF C=CCOC(=O)C1=C[C@H](c2ccccc2)[C@@H](CCCO)[C@H](OCC)O1 13118556 QGKZZOHFEXCGJM-MBOZVWFJSA-N 346.423 3.165 30 3 EGEF O=C(CCCCCCC(=O)Nc1cccc(C(F)(F)F)c1)NO 49066523 ZOPUASBAPJLYBB-UHFFFAOYSA-N 332.322 3.490 30 1 EGEF COc1cc(/C=C\C(=O)/C=C\c2ccc(O)c(OC)c2)ccc1O 85852509 ISIMGBQRFXXNON-VHOZIDCHSA-N 326.348 3.411 30 1 EGEF endogenous,in-man O=C1c2ccccc2C(=O)N1[C@@H]1C=C(C#Cc2ccccn2)CCC1 95607705 AJBNCPAXQVKUKD-KRWDZBQOSA-N 328.371 3.208 30 1 EGEF C=CCC(C)(C)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 587954468 WFJMHGHSBNUWLL-UHFFFAOYSA-N 335.473 3.447 30 1 EGEF C#CCn1ccnc1[C@H]1c2ccsc2CCN1Cc1cccn1C 962373621 NMNVPVQXLSGTSD-GOSISDBHSA-N 336.464 3.064 30 1 EGEF CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]12C 2356446738 QAGRSHUMAXNJMZ-OYDVVICCSA-N 330.468 3.408 30 1 EGEF Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1)CN2CC(=O)O 103207496 UQQFQAUPFLCNBN-NTEUORMPSA-N 325.339 3.305 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)CC(C)=CCCC(C)=CCC[C@@]2(C)O 2356503387 GQCXSSWGCFPUBF-FTEYMNFISA-N 334.456 3.443 30 1 EGEF C=C(C(=O)CC=C(C)C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@@H]1OC(=O)C(C)=CC 2356619862 WPLOBQQVZLAOAQ-REGYPHIPSA-N 346.423 3.093 30 1 EGEF COc1cc(O)c(C(=O)/C=C\c2ccc(O)cc2)c(OC)c1OC 31649445 MZHFFPDKHDLFKQ-TWGQIWQCSA-N 330.336 3.020 30 1 EGEF CCC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(C)c(OC)cc(C#N)c21 71333321 VWLXWSKSODBZDV-IBGZPJMESA-N 342.395 3.399 30 1 EGEF C=C1CC[C@H](C(C)C)[C@H]2O[C@@]13CC[C@@](C)(O3)[C@H]1[C@@H]2[C@](C)(O)C[C@H]1O 13454226 ANYKNXWCXOFDOJ-YCZCMDOPSA-N 336.472 3.021 30 1 EGEF biogenic CC(=O)O/C=C(\C)C1=C[C@@]2(C)C(=CC1=O)[C@H](OC(C)=O)CC[C@@H]2C 238730895 VUQSDTNBGZBQBW-DXCNRAEVSA-N 332.396 3.257 30 1 EGEF C=CCOc1cccc([C@H]2NC(=S)N=C(C)/C2=C(\O)OCC)c1 621475798 CCHRLVYYGYOGSX-VZHUHSAUSA-N 332.425 3.448 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)c2c(c1)NC(=O)CO2 587917873 UTGROJZNZOSKKC-UHFFFAOYSA-N 331.730 3.218 30 1 EGEF COC(=O)c1cc2ncc(C#Cc3cc(Cl)ccc3OC)cc2[nH]1 587910043 IMZKTTKDWCRBDC-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF COc1cc(O)c(C(=O)/C=C/c2ccc(C(=O)O)cc2)c(OC)c1 1772613452 WMSLMZWTRAVYAS-VMPITWQZSA-N 328.320 3.004 30 1 EGEF Cc1nc2c(s1)-c1nc(/N=C3\C=C([N+](=O)[O-])C=CC3)ncc1CC2 103560728 CMWWYSDXIZEJPA-ODLFYWEKSA-N 339.380 3.200 30 1 EGEF in-vitro C=C1C(=O)O[C@H]2[C@H]1C[C@@H]1O[C@@]1(C)CCC=C(C)CCC=C(C)[C@H]2O 2356583063 HVJGVUTXXJGUKC-JNIAIEOXSA-N 332.440 3.459 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CC[C@H](O)C(C)=CCC[C@]3(C)O[C@@H]3C[C@H]12 2356713081 YCCCRENEMRGDOO-LYYGHALDSA-N 332.440 3.459 30 1 EGEF C#C[C@@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1cccc(SC)c1 2356867910 WXIWKAVKSQBFDG-IJEWVQPXSA-N 330.453 3.301 30 1 EGEF O/N=C(/c1ccc(Oc2cccc3cccnc23)nc1)n1ccnc1 72142405 JGDWPLWIFHEKAI-PYCFMQQDSA-N 331.335 3.303 30 1 EGEF Cc1ccc(/C(=N/O)n2ccnc2)c(Oc2ccc(F)c(F)c2)n1 72186505 BUVOYNFYORPYQM-QNGOZBTKSA-N 330.294 3.341 30 1 EGEF COC(=O)c1cc(Cl)c2[nH]c(COc3ccc(C#N)cc3)nc2c1 587190699 MZEYHELEEAZPKI-UHFFFAOYSA-N 341.754 3.454 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(N)c(Br)n1 587910594 JEZJJWGBSJVMKF-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF O=C(O)c1cc(NC(=O)[C@H](CS)Cc2ccc(Cl)cc2)c[nH]1 19571 OYGDRNZBZVKNJL-JTQLQIEISA-N 338.816 3.094 30 1 EGEF Cc1ccc(N/C(O)=N/S(=O)(=O)c2cc3ccccc3o2)cc1 28099877 SOAABHWWRDWIDJ-UHFFFAOYSA-N 330.365 3.456 30 1 EGEF C=C1CCC2=C(C)CO[C@@H]2C=C(C)CC[C@H](O)[C@@](C)(O)CC[C@@H]1O 2356523424 RAUBSCWQZYSZOV-YRPNKDGESA-N 336.472 3.031 30 1 EGEF COc1cc2ncnc(Nc3cccc(C#CCCO)c3)c2cc1OC 28951167 ZGYIOLOGUKKRQX-UHFFFAOYSA-N 349.390 3.125 30 1 EGEF C=C[C@@H]1C(C)(C)C(=O)[C@H]2C[C@@]1(C)[C@@H]1[C@@H]2O[C@H]2C(=C(C)C)C(=O)O[C@@H]21 2356553937 NKPVPBRRTXGXPI-LZTXDUONSA-N 330.424 3.069 30 1 EGEF Cc1cc(Oc2ccc(CC(=O)N3CCOCC3)cc2)ccc1C#N 1911579587 QOJWBEUMAJACBY-UHFFFAOYSA-N 336.391 3.060 30 1 EGEF CCCCNc1ncc(C(=O)N(C)CC)c(-c2ccc(C#N)cc2)n1 82158977 CDCJQLOPZSHRJX-UHFFFAOYSA-N 337.427 3.319 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@H](OC(=O)CC(C)C)[C@H]12 2356621378 ZEPVGWURVYMKCE-SCTDSRPQSA-N 348.439 3.091 30 1 EGEF OC[C@H](O)C#CC#CCCCCCCCC/C=C\Br 212339485 WPDBFRMBTCLQRW-OBEJXRGXSA-N 327.262 3.376 30 1 EGEF CC(C)=CC(=O)C[C@@](C)(O)[C@H]1COc2oc3cccc(C)c3c(=O)c21 14883708 SFPSPSPJZWINEJ-VBKZILBWSA-N 342.391 3.254 30 1 EGEF biogenic C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)CC(C)=CCC/C(C)=C\[C@@H](O)C[C@H]2C 299844420 GQTPRLWQZDUWKJ-YWKYJCFESA-N 334.456 3.299 30 1 EGEF CN(C)/C=C1\C(=O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587513440 SMSWZMUZUATXSK-GRFAERAESA-N 325.408 3.078 30 1 EGEF CCCCCCCCCCCCCCNC[C@@H]1OC[C@H](N)[C@@H]1O 1857639160 NGURTNHXYNCPBM-FHWLQOOXSA-N 328.541 3.364 30 1 EGEF CC=C(C)C(=O)O[C@@H]1c2ccoc2C(=O)C2=C[C@H](O)C[C@H](C)[C@@]21C 2356338375 VWUPQZXUHCYORA-QKSUWVKNSA-N 330.380 3.360 30 1 EGEF CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1C[C@@H]3C(C)(C)CCC[C@]23C(=O)O1 104380383 ZGIOOTXNBWWRKD-SUTOTMHJSA-N 344.407 3.045 30 1 EGEF in-man C=C1CC[C@@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O 238743768 ROPZFDGMJDAXOR-YKCBXCCJSA-N 332.440 3.200 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc([N+](=O)[O-])cc1)O2 587388917 HRXUSYKIEXPWGZ-SFHVURJKSA-N 337.335 3.260 30 1 EGEF N#Cc1ccccc1SCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 586964374 BPQBVWVQHLRZGN-UHFFFAOYSA-N 336.376 3.058 30 1 EGEF COC[C@@H](/N=C/N1CCc2cc(OC)c(OC)cc2C1)C(C)(C)C 5714555 PCRRABGRVUXJCO-JZQBQCRLSA-N 334.460 3.151 30 1 EGEF COc1ccc2c(c1)[C@](C#Cc1ccccn1)(C(F)(F)F)NC(=O)N2 5854509 DXYHNTRQGDKLGB-MRXNPFEDSA-N 347.296 3.035 30 1 EGEF Cc1c(C#N)c(O)nc(O)c1/N=N/c1ccc(Cl)c(C(=O)O)c1 101776493 LGYNOESEQBFYSN-VHEBQXMUSA-N 332.703 3.440 30 1 EGEF C=C(C)[C@H](O)Cc1cc(CCc2cc(O)cc(O)c2)cc(O)c1OC 36374836 VBRNAZIXIBRGPL-GOSISDBHSA-N 344.407 3.077 30 1 EGEF CC(=O)NC1=C(c2cccc(Cl)c2)C(=O)c2ccccc2C1=O 40914375 HHNDLVGWAGBIOY-UHFFFAOYSA-N 325.751 3.266 30 1 EGEF N#Cc1cc(NC(=O)Nc2nnc(-c3ccncc3)s2)ccc1F 96284280 OOCHZXDFBWHESO-UHFFFAOYSA-N 340.343 3.255 30 1 EGEF COc1ccc(CCCc2nc3cc(C#N)c(C#N)cc3[nH]2)c(OC)c1 587929589 XWBUCXQSHJFIJA-UHFFFAOYSA-N 346.390 3.499 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(NN)c(C(F)(F)F)c1 587913959 QAONMSAWDWJSKS-UHFFFAOYSA-N 341.720 3.448 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)OCC(=O)N2C 587908772 IPBQEKCGCDXQAA-UHFFFAOYSA-N 327.767 3.104 30 1 EGEF N/C(=N\c1ccc(C(=O)O)cc1)N1Cc2cccc3c2[C@H](CCC3)C1 101745411 YBRWEQVIFARZHY-MRXNPFEDSA-N 335.407 3.267 30 1 EGEF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)OC(=C(CO)C(=O)C=O)C[C@@H]12 2356635027 SOCXIASRGRBOAM-HNBVOPMISA-N 334.456 3.422 30 1 EGEF C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@@H]2CC[C@@]3(C)O)[C@@]2(C)CCC(=O)C=C12 2356754795 LZRQDFQQYIQZLG-CGHHYAOKSA-N 332.484 3.486 30 1 EGEF CC[C@@]12CCc3[nH]c4c(OC)cccc4c3CCN(C[C@H]3O[C@H]31)C2 238744706 NQTJOYVQYNTTED-RLLQIKCJSA-N 326.440 3.145 30 1 EGEF CCN=c1scc(-c2ccco2)n1/N=C/c1ccc(OC)c(O)c1 263592097 PWHFANGZFYULQN-GYSREZARSA-N 343.408 3.327 30 3 EGEF Cc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1 587897851 XUOMMDPKOLODPY-UHFFFAOYSA-N 339.247 3.469 30 1 EGEF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C#N)cc(Cl)c2[nH]1 586960350 BGHLWMZGZCKMOE-ZCFIWIBFSA-N 346.803 3.019 30 1 EGEF Brc1ccc2[nH]c(C=NOCc3ccccc3)nc2n1 587190954 UXHKOXULHONUFE-UHFFFAOYSA-N 331.173 3.271 30 1 EGEF C#CCOc1cccc(Cl)c1[C@H]1NCCc2c(C(=O)O)cccc21 963125803 UUYLXNPNCFGZRA-SFHVURJKSA-N 341.794 3.285 30 1 EGEF C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CC[C@]2(C)O[C@]2(C)C1=CC3=O 205485277 PKEXFWWHNQGVIY-QKMKBPDTSA-N 342.391 3.143 30 1 EGEF C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 896026 CZEMYYICWZPENF-WZYNRUKZSA-N 348.439 3.076 30 1 EGEF in-man CC#CC(=O)N1CC[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 29253508 ZBYOJSFWWJDESD-INIZCTEOSA-N 327.424 3.356 30 1 EGEF COc1ccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cc1OC 113252171 DJESRDUBEUNCSG-OAHLLOKOSA-N 337.419 3.171 30 1 EGEF C=C1C2=C(C=C[C@]13CC=C[C@@H]1C(=O)OC[C@@H]13)C(=O)O[C@H]2c1ccoc1 2356628247 MLEAQSTVNIJVEZ-NUADTHGBSA-N 336.343 3.036 30 1 EGEF C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O 72136041 VVTDDOIRDLEBIN-JFMLXJOGSA-N 332.440 3.190 30 3 EGEF N#Cc1ccccc1C[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)O 49072105 MQMNIFJCSSSPKD-LJQANCHMSA-N 344.370 3.137 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(C#N)cc1F)O2 587381349 HUEAZWYDZHUWTN-INIZCTEOSA-N 341.298 3.203 30 1 EGEF O=C(OCCCS)c1csc([C@@H]2COc3ccccc3O2)n1 13586935 HPODVVZGZWGVDV-ZDUSSCGKSA-N 337.422 3.132 30 1 EGEF CCc1nc(C)cn1C[C@@H]1C(=O)O[C@H]2[C@H]1CCC=CCC[C@@]1(C)O[C@H]21 1857626940 IZORMBINDZROFQ-NQHUSQPMSA-N 344.455 3.199 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3C=CC(=O)[C@]3(C)[C@H](OC[C@@H](C)CC)[C@@H]12 2356430112 GOJTXXYQSISDGW-WOCMRHBYSA-N 332.440 3.317 30 1 EGEF CCCCCC[C@H](O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O 26485258 UPDVODQXDMPCIM-ZDUSSCGKSA-N 332.396 3.341 30 1 EGEF CC=C1C(=O)C[C@@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356624834 QAKWWXLYSGFAQN-OJKRLGRESA-N 330.468 3.406 30 1 EGEF CC1=CCC[C@](C)(O)[C@H]2C=C(C(C)C)[C@@H](O2)[C@H](O)[C@]2(C)O[C@H]2CC1 2356808381 YSTOWRLUHRESQI-JBKQDOAHSA-N 336.472 3.126 30 1 EGEF CC/C(=N\NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccn1 38822188 ZMGPFXFXHDLUPC-QGOAFFKASA-N 329.385 3.091 30 1 EGEF C=CC(C)(C)[C@@]12Nc3cc(Br)ccc3[C@]1(O)CCN2C 15217252 CHFAIFZIDCGGMS-CVEARBPZSA-N 337.261 3.306 30 1 EGEF biogenic COc1ccc(/C=C/C(=O)c2c(C)n(O)c3ccccc3[n+]2=O)cc1 139385690 WZPSERMYIHVMSN-FMIVXFBMSA-N 337.355 3.006 30 1 EGEF N#Cc1ccc(OCc2nc3cc(Br)cnc3[nH]2)cc1 587189594 DIQDNLSBZGOXSE-UHFFFAOYSA-N 329.157 3.171 30 1 EGEF COC(=O)C[C@H](C)n1cc(C#Cc2cc(Cl)ccc2OC)cn1 587908810 CROLFWVLDAJGLY-LBPRGKRZSA-N 332.787 3.069 30 1 EGEF CC(C)[C@@H]1O/C(=C/C(=O)CCc2ccc(C(C)(C)C)cc2)NC1=O 1857602713 LTYKXUJKSQSXJR-WQJNHMDYSA-N 329.440 3.498 30 1 EGEF C/C(=N\NC(=N)N)c1sc(-c2ccc(C#CC3CC3)cc2)nc1C 1857758269 BYWNBAAYIRBHCX-WSDLNYQXSA-N 337.452 3.087 30 1 EGEF C[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C[C@H]2CCN(C)C2)C1 1857773634 FDVMJVKEBUYLKY-AOIWGVFYSA-N 348.494 3.484 30 1 EGEF O=C1C2=C(c3ccccc31)[C@@H](c1ccccc1)N1C(=O)CSC1=N2 1626631 BATNBRDJEYAKBB-QGZVFWFLSA-N 332.384 3.280 30 1 EGEF O=C1CCCC(O)=C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 84367273 ISNCJIAYWFSKHQ-UHFFFAOYSA-N 329.230 3.361 30 1 EGEF C=C1CC[C@@H]2CC[C@H]3C(=O)N/C(=C\[C@@H](C)CC(=O)C1)[C@@]3(O)C2(C)C 238750947 KFRPDESGMXVVHV-UBFIPZLTSA-N 331.456 3.119 30 1 EGEF C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](O)C1=O 238738112 OYZPDCNJODPOBW-PRGYFKDVSA-N 334.456 3.443 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc([N+](=O)[O-])c1 587904288 HOEXFGRRBJOOIV-UHFFFAOYSA-N 331.711 3.355 30 1 EGEF C=C1C(=O)[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2[C@@H](O)C[C@H]1C3 2356387733 FUHHXQHMWOVSNL-ZRYXUEFWSA-N 346.467 3.278 30 1 EGEF CN(C)CC#CCCC(=O)[C@](O)(c1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 100867225 VCZVZKXCDQXJCF-VFSLUADLSA-N 339.479 3.225 30 1 EGEF C#CCn1c2ccccc2c2cc(C(=O)N3CCSCC3)nc(C)c21 58538262 GMGXUAXURFKGPI-UHFFFAOYSA-N 349.459 3.320 30 1 EGEF N#Cc1c(N)nc(S[C@H]2CCCCC2=O)c(C#N)c1-c1ccco1 25355529 LZYKIDFTMVRJCK-AWEZNQCLSA-N 338.392 3.271 30 3 EGEF COc1cc(C#C/C=C\C#Cc2ccccc2N)cc(OC)c1OC 95586502 QTQLUDNSNWBHMC-PLNGDYQASA-N 333.387 3.254 30 1 EGEF C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@@]2(C)[C@@H]1CC(=O)C1=C[C@H](O)OC1 238758585 DFSMOOXWMAHZGO-UIXUWTQFSA-N 332.440 3.198 30 1 EGEF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC#N)c1 587387466 SAHQAUXMTYVQFH-SFHVURJKSA-N 338.363 3.195 30 1 EGEF N#Cc1cc(Cl)c2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc2c1 587270044 IPFQBRNOQSRPRH-ZDUSSCGKSA-N 341.758 3.239 30 1 EGEF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(C#N)cc(Br)c2[nH]1 587961948 HKIUCPRITDUHDC-WCBMZHEXSA-N 332.201 3.355 30 1 EGEF C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1cccc(CC)c1 13746721 BWRKRCVWWUCVGQ-UHFFFAOYSA-N 331.419 3.434 30 1 EGEF C=C1C(=O)[C@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@]1(O)C3 169354722 CAZYNLSCRWNLPJ-IQWRJHEGSA-N 346.467 3.422 30 1 EGEF O=C1C(Nc2ccc(F)cc2)=C(Cl)C(=O)c2sc(CO)cc21 28520486 SQZSRKLAXOYGTN-UHFFFAOYSA-N 337.759 3.321 30 1 EGEF CCCCCCCC(=O)C[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)O 2356596243 IBUAVAYGESTICD-NFAWXSAZSA-N 341.473 3.069 30 1 EGEF CC[C@H](C)C(=O)O[C@]12O[C@@H]1C[C@]1(C)Cc3occ(C)c3C[C@@H]1[C@@]2(C)O 2356615683 LKGZPVLMOLNTBC-RUFBIERRSA-N 348.439 3.148 30 1 EGEF C[C@@H](O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 70454536 OVQSVMZESAVYPN-MZAHLDQNSA-N 332.484 3.486 30 1 EGEF endogenous,in-man C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)CC(C)=CCCC(C)=C[C@@H](O)C[C@H]2C 254010628 GQTPRLWQZDUWKJ-SJQORLFUSA-N 334.456 3.299 30 3 EGEF COc1cc(/C=C/C(=O)O/N=C/c2cccs2)cc2c1OCO2 473121252 GNSVRFWDTSGCQB-ZIAPQUINSA-N 331.349 3.076 30 1 EGEF N#Cc1ncc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)s1 587021439 NMQCZGLUKZRBRX-UHFFFAOYSA-N 349.169 3.019 30 1 EGEF N#Cc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966954 NMSKGWDALJEPOK-UHFFFAOYSA-N 334.364 3.172 30 1 EGEF COc1ccc(-n2c(SCC#N)nc3sccc3c2=O)cc1 28948923 DNPXFKRDGMAJHC-UHFFFAOYSA-N 329.406 3.071 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CCC(C)=C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356609531 DTOFRQNTRKNUMY-RXFYRGCNSA-N 346.423 3.250 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(OC)C=C[C@@](C)(C[C@@H](OCC(C)C)[C@@H]12)O3 2356652742 OCMNFBXJZYUCJE-NLPMXTIOSA-N 348.439 3.163 30 1 EGEF O=C1NCC/C(=N\Nc2ccccn2)c2cc(-c3ccccc3)[nH]c21 70460217 HSMFWHZDRDNONG-HZHRSRAPSA-N 331.379 3.026 30 1 EGEF CCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC(=O)O)O1 43284672 GSERBRKCFOZBGB-AEFFLSMTSA-O 330.489 3.156 30 1 EGEF COc1cccc2cc3c(cc12)[C@]1(C)CC[C@H](O)[C@@H]2COC(=C21)C3=O 49802924 QJSFVVLTMIIKEG-HTZUNMPGSA-N 336.387 3.358 30 1 EGEF biogenic COc1ccc(Cl)cc1C#Cc1c(C)nn(C[C@@H](C)C(=O)O)c1C 587903157 XRNOKLGXFRWGNO-LLVKDONJSA-N 346.814 3.282 30 1 EGEF N#CC[C@@]1(C2CCC2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962661714 ICRVRJZUFFWURA-NHCUHLMSSA-N 349.434 3.242 30 1 EGEF COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CC=CC2)cc1 72102485 GENQEHXXMSTZNX-JZJYNLBNSA-N 325.368 3.199 30 1 EGEF CC1=C(C2=C(C)C(=O)C(=O)C(C(C)C)=C2)C=C(C(C)C)C(=O)C1=O 85641665 OTCZINUTVRBSEL-UHFFFAOYSA-N 326.392 3.088 30 1 EGEF endogenous,in-man Cc1nc(O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881693 XFQJJDJZMYMVIX-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSC[C@@H]2C#N)N1 587857088 KBCCIBIHGNXPGA-YACGNSKGSA-N 341.249 3.204 30 1 EGEF N#CCC[C@@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962922992 LGJOEWFASIXSBZ-ROUUACIJSA-N 338.363 3.128 30 1 EGEF CC/C(=N\NC(=S)NC(C)C)c1cccc(Br)c1 7040430 JZEIBEBBMYJDIJ-FOWTUZBSSA-N 328.279 3.436 30 1 EGEF CNCCN1CCCCc2cc(/N=C(\N)c3cccs3)ccc21 84605007 XXFKDMTZCZDTMA-UHFFFAOYSA-N 328.485 3.147 30 1 EGEF C/C=C1/C(=O)C[C@@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255193373 AGSIHXUUMSXXHC-KXIPMVMXSA-N 332.484 3.486 30 1 EGEF Cc1ccc(C(=O)/C=C\c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587965914 QGUORPUXANREAH-KHPPLWFESA-N 333.391 3.469 30 1 EGEF C=CC[C@H]1C[C@]2([C@@H](C)Cc3ccc(OC)c(N)c3)OCOC2=CC1=O 1857534490 JMLYSSCNLQTOOY-ZQGRQUNCSA-N 343.423 3.248 30 1 EGEF O=C(/C=C/c1ccccc1Br)c1c(O)cc(O)cc1O 103204458 QZNKLNATVNIMII-AATRIKPKSA-N 335.153 3.462 30 1 EGEF C[C@]1([C@@H](O)CO)CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C/O)C(=O)CC[C@@H]32)C1 102401038 VEHQOXOBKPFBHP-HIKXKAOSSA-N 336.472 3.373 30 1 EGEF CN(C)CCCS/C(=N\O)C(=O)c1ccc(Br)cc1 29408994 HAPUPWQJQITKSC-SQFISAMPSA-N 345.262 3.104 30 1 EGEF CC1=CCC[C@](C)(O)[C@H]2CC[C@@](C)(O2)[C@H]2C(=O)C(=C(C)[C@@H]2O)CC1 2356527999 QRTUGLKKOAKYGZ-NLPMXTIOSA-N 334.456 3.072 30 1 EGEF C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)[C@H](O)CC[C@]3(C)[C@@]2(O)CC1 2356694188 XARJWEAKRVLXPB-HOLAOCEGSA-N 332.440 3.212 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@]3(COC(=O)CC(C)C)O[C@@H]3C[C@H]12 238773979 ZWFGMQUUOJJSIV-ZEHWHGGHSA-N 348.439 3.331 30 1 EGEF O=Cc1ccoc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587890445 HEGQXMSKWZSRRJ-UHFFFAOYSA-N 336.174 3.109 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(OCC(F)(F)F)nc1 587913951 PSRTUYUBWXTQGS-UHFFFAOYSA-N 342.704 3.480 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccn2ncc(C(=O)O)c12 587912459 ISKBILFWGJNMNL-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc(C#N)c1N(C)C)O2 587381310 GUDXGDGWSFMAON-INIZCTEOSA-N 339.370 3.361 30 1 EGEF CC(C)C(=O)Cc1c(OC[C@@H]2OC2(C)C)ccc2ccc(=O)oc12 140478004 GQNWYSYOSQOHAT-INIZCTEOSA-N 330.380 3.117 30 1 EGEF C[C@]12CC[C@@H]3[C@H]([C@H](N4CC4)CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O 263591283 TVLJGVSJCIAMRD-BUAHTRFOSA-N 329.484 3.173 30 3 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(O)nc(O)nc2c1 587907492 OGWKEFQVTXBXBV-UHFFFAOYSA-N 326.739 3.103 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(C)CC/C=C(\C)CC/C=C(/C)[C@H]2O 169298977 HVJGVUTXXJGUKC-FMYOUOLFSA-N 332.440 3.459 30 1 EGEF Cc1cccc(Nc2[nH]c(=NC3CCCCC3)c(C#N)cc2C(N)=O)c1 1857556645 XRMICCJGLRXNCC-UHFFFAOYSA-N 349.438 3.271 30 1 EGEF COc1cc2c(cc1OC)C(=O)/C(=C/c1cc([N+](=O)[O-])ccc1O)C2 27552971 RSCRXXZPOHQYDA-WUXMJOGZSA-N 341.319 3.140 30 1 EGEF C=CC(C)(C)c1[nH]c2ccccc2c1C=C1NC(=O)[C@H]2CCCN2C1=O 2356452408 OLIPWSSLWWMAAT-QGZVFWFLSA-N 349.434 3.093 30 1 EGEF C/C=C1\C(=O)C[C@@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255193372 AGSIHXUUMSXXHC-AICYTASJSA-N 332.484 3.486 30 1 EGEF O=C1CSC(=S)N1N=Cc1cccc(OCc2ccccc2)c1 254045121 DQRVQERCMMPWIL-UHFFFAOYSA-N 342.445 3.460 30 3 EGEF C[C@@H]1S/C(=N/N=C/CCSc2ccc(Cl)cc2)NC1=O 64448930 INSBQXWPOAUXGT-HXBVQPGFSA-N 327.862 3.416 30 1 EGEF COc1cc(O)c(C(=O)C=Cc2cccc(OC)c2OC)c(OC)c1 2356652676 LYUYMCWIWGASRX-UHFFFAOYSA-N 344.363 3.323 30 1 EGEF C/C=C/c1ccc([C@H]2[C@@H](C#N)N(C(=O)NC3CCCC3)[C@H]2CO)cc1 95897824 WVXGHKZQHTUAKX-LDEMVOIRSA-N 339.439 3.024 30 1 EGEF CN(C)CCCO/N=C1\c2ccccc2-c2nc3ccccc3nc21 653689072 YHHJTOBOALYBKA-FCDQGJHFSA-N 332.407 3.331 30 1 EGEF C=Cc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587887117 ANGORDXKEZMSSO-UHFFFAOYSA-N 346.217 3.137 30 1 EGEF Cc1cccc(NC(=O)Cc2nc3cc(Cl)nc(C#N)c3[nH]2)c1C 587239001 KTOSEDKKRNTJLH-UHFFFAOYSA-N 339.786 3.281 30 1 EGEF CN(C)C(=O)[C@@]1(C)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963196023 QAPVNXPKERIJBL-PZJWPPBQSA-N 333.435 3.113 30 1 EGEF O=C(NC1=C(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccco1 169339947 YYXUXKMDBSHMOQ-UHFFFAOYSA-N 343.338 3.500 30 1 EGEF CCOC(=O)O/N=C1C(=C2/C(=O)Nc3ccccc32)/Nc2ccccc2/1 102937638 DCAOLFXIWCAPIM-HPBPSMLHSA-N 349.346 3.353 30 1 EGEF COc1cc(/C=C/C(O)=C/C(=O)c2c(O)cccc2OC)ccc1O 101664793 INLRBKGCQYPRIU-ANFDWSRQSA-N 342.347 3.453 30 1 EGEF CC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCCC1 58576140 RTRHYDKUHLAHOU-UHFFFAOYSA-N 332.464 3.475 30 1 EGEF Cc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)n1 587881600 SFXASCTUKALZAQ-UHFFFAOYSA-N 348.233 3.111 30 1 EGEF COc1ccccc1/N=C(\O)CSc1nnc(C(F)(F)F)o1 199296 VEXPOUNMOHZHEV-UHFFFAOYSA-N 333.291 3.477 30 1 EGEF CS(=O)(=O)c1ccc(C#CC(=O)c2cccc3ccccc23)cc1 12352364 SVTVRSOEVPGOAD-UHFFFAOYSA-N 334.396 3.478 30 1 EGEF COc1c(O)c(OC)c(C(=O)/C=C/c2ccccc2)c(OC)c1OC 14640463 RZSYQUHEIMQENQ-ZHACJKMWSA-N 344.363 3.323 30 1 EGEF CC(C)=CC=C1O[C@@H]2CC(C)=CC(=O)[C@]2(OC(=O)CC(C)C)[C@]1(C)O 2356466429 GDEJFCBKFPLWAP-MISYRCLQSA-N 348.439 3.234 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@@H](O)CC(C)=CCCC(C)=CCC[C@@]2(C)O 2356503386 GQCXSSWGCFPUBF-DOADOZAASA-N 334.456 3.443 30 1 EGEF C=C(CO)[C@H](O)CC[C@H](C)[C@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21 2356852876 QUFNQUVOPIMKLO-SAUZDDAKSA-N 348.439 3.397 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(C#N)c2)N1 587789085 BVUKPWKZGXAURP-GLEZIHRCSA-N 334.192 3.412 30 1 EGEF C=C1CC[C@](C)(C=O)CC[C@@H]2C(=CC=CC(C)(C)O)COC(=O)[C@@H]12 2356391597 UDXXPMHZVKAWCF-UWVAXJGDSA-N 332.440 3.365 30 1 EGEF CC=C1CN2[C@H]3C[C@H]1[C@@H](C=O)[C@H]2Cc1c3n(C)c2c(OC)cccc12 2356606474 RBNBEKDCSALFTN-DDBAPUKQSA-N 336.435 3.250 30 1 EGEF CC(C)[C@]12CC[C@]34OC(=O)[C@]35CCCC(C)(C)[C@@H]5CC[C@]4(O)[C@H]1O2 2356735947 RNKHTKYLFIGYTD-ABYZYQIESA-N 334.456 3.207 30 1 EGEF N#Cc1cc2nc(-c3ccc(F)c(Br)n3)[nH]c2cc1C#N 587154721 DIUNTNSJHZWVTR-UHFFFAOYSA-N 342.131 3.270 30 1 EGEF Cn1cc(/C=C/C(=O)c2cccc(Cl)c2)cc1/C=C/C(=O)NO 3925745 RQWPSCWSDXSYRX-KQQUZDAGSA-N 330.771 3.093 30 1 EGEF COC(=O)N1CCC2(CCCN(Cc3ccc(C#N)cc3)C2)CC1 4238101 IPXQTEFFIMKQGH-UHFFFAOYSA-N 327.428 3.003 30 1 EGEF COC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2C(F)(F)F)C[C@H]1C 27324386 FNMJETLSFBURAR-OTYXRUKQSA-N 327.302 3.399 30 1 EGEF C=C1[C@H](OC(=O)C=C(C)C)[C@@H](O)[C@@H](C(C)C)[C@H]2C(=CC)C(=O)C[C@@H]12 2356594136 JVHNNPVCABIONL-HVRBKMHZSA-N 332.440 3.219 30 1 EGEF CC(C)(C)c1cc(-c2nnc(N=C(N)N)s2)cc(C(C)(C)C)c1O 36126891 NWSJNXMRDTXLLZ-UHFFFAOYSA-N 347.488 3.411 30 1 EGEF CC/C=C\C[C@@H]1C(=O)C(I)=C[C@@H]1CC(=O)OC 40834055 FZYXDMFUIFXKNT-OOMSKYPHSA-N 348.180 3.040 30 1 EGEF COc1ccc([C@@]2([C@@H](F)C#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 587383882 WXIVTDYTFUNXEG-PKOBYXMFSA-N 340.354 3.308 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(C#N)c2)N1 587770715 BDNACGSUADRAEG-JDNHERCYSA-N 346.203 3.478 30 1 EGEF O=C1C=CC(=C(S)N2CCN(c3cccc(Cl)c3)CC2)C=C1 100565638 DMWDCJSTLJRJQK-UHFFFAOYSA-N 332.856 3.299 30 3 EGEF Cc1cc(O)nc(SCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C#N 101952904 YGTZTYURKUODOD-SYQHCUMBSA-N 345.468 3.000 30 1 EGEF C=C[C@@](C)(O)CCC=C(C)C[C@H](C=C(C)COC(C)=O)OC(C)=O 2356606321 LKKSWFJJHYAMNI-RTBURBONSA-N 338.444 3.481 30 1 EGEF CO[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1NC(=O)OC(C)(C)C 29389340 FZFRPAGGYLEQCB-LSDHHAIUSA-N 332.400 3.310 30 1 EGEF CC1(C)O[C@@H]1Cc1c(O)ccc2c1O[C@@H]1c3ccc(O)cc3OC[C@@H]21 2356732513 VFEZVGIIHWZKLN-POZUXBRTSA-N 340.375 3.427 30 1 EGEF C=CC=CCC1=C(C)[C@H](OC(=O)[C@H]2C[C@H]2C=C(C)C(=O)OC)CC1=O 2356774304 UZMCMZCHUMYZFH-UWWQBHOKSA-N 344.407 3.075 30 1 EGEF CC(=CCO)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@@H](C)[C@]13C 2356780726 GEHSMLAJCBNTPU-KGCBIMRHSA-N 346.423 3.241 30 1 EGEF CCc1ccc(Oc2ncccc2/C(=N/O)N[C@@H](C)COC)cc1 72180346 KKXRNIQKIWNJOU-ZDUSSCGKSA-N 329.400 3.197 30 1 EGEF O=C1/C(=C/c2cccc(Br)c2)Oc2cc(O)cc(O)c21 40392882 ZVECIMOIOIAUMR-ACAGNQJTSA-N 333.137 3.477 30 1 EGEF C[C@H](CNC(=O)c1ccccc1O)/N=C/c1c(O)ccc2ccccc12 49055456 PHHOEEFNAQYLDD-CYGNYLSHSA-N 348.402 3.488 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(/C=C/S(N)(=O)=O)c1 587918528 VPVAUTPAXAWCAA-MDZDMXLPSA-N 347.823 3.008 30 1 EGEF Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccco1)[C@@H](C#N)C(=N)O2 169691068 KTPUTSMBHXPZMZ-RHSMWYFYSA-N 332.363 3.474 30 1 EGEF C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)Nc1cncnc1 1857534782 KFBTXONHNOBRHE-LBPRGKRZSA-N 338.802 3.366 30 1 EGEF Cc1ncncc1-c1ccc([C@H](C(=O)NO)c2ccccc2F)cc1 1857611274 FWBWKCSAAOHVRU-SFHVURJKSA-N 337.354 3.228 30 1 EGEF C/C(=N/N=C1/SCC(=O)N1C(=O)c1ccccc1)c1ccccc1 1857758758 FKZYARKFEZYNCG-GDBJICFUSA-N 337.404 3.182 30 1 EGEF O/N=C1\C/C(=N\O)c2c(Br)sc(Br)c21 102954160 PUIUOZJBQWAZHU-NXOFHUPFSA-N 339.996 3.033 30 1 EGEF C=CCN1CCN([C@@H](c2ccccc2)c2ccc(C(=O)O)cc2)CC1 28761690 HWGUWPLOHDEVGR-FQEVSTJZSA-N 336.435 3.278 30 1 EGEF CC[C@@H](C)NC(=O)c1cnc(NCC2CC2)nc1-c1ccc(C#N)cc1 82158694 HQGQIVCRZNKMRB-CYBMUJFWSA-N 349.438 3.365 30 1 EGEF C=C(Cc1ccc(O)c(OC)c1)[C@H](CO)Cc1ccc(O)c(OC)c1 238762391 BTVZLULIATXDNP-INIZCTEOSA-N 344.407 3.065 30 1 EGEF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4O[C@@H](CC#N)C[C@H]41)[C@@H](C2)C3=O 587429571 PWHODJAKRLZZDA-PBJBRTRBSA-N 339.391 3.053 30 1 EGEF COc1cccc(CN2C=CC(=O)[C@@H](Cc3ccc(F)cc3)C2=O)c1 957654744 BDMMPZMFXPNHGP-GOSISDBHSA-N 339.366 3.118 30 1 EGEF Cc1c(C(=O)/C=C(\O)C(=O)O)oc2ccc(Br)cc12 1857573912 NKIOYDIRLKFTAT-YHYXMXQVSA-N 325.114 3.213 30 1 EGEF CC[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1NCc1ccccc1 101550726 YCTWGBCLWICOEP-IBGZPJMESA-N 343.448 3.369 30 1 EGEF C=C[C@](C)(O)C[C@@H](O)C=C(C)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356599561 DUKIIUKDKITKSX-NSHGMRRFSA-N 340.504 3.259 30 1 EGEF CCCCCCCN(C(=O)Cc1ccc(OC)cc1)[C@H](CC)C(N)=O 43397161 BQADXAKWRNXXQF-GOSISDBHSA-N 348.487 3.301 30 1 EGEF Cc1ncnc(-c2cnc3ccccc3c2)c1C#Cc1ccc(N)nc1 148643870 QWDMEZXGUVFKIJ-UHFFFAOYSA-N 337.386 3.377 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc2c(C(=O)O)n[nH]c12 587911568 LEAPQTYLOANDKN-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[nH]nc1C1CC1 587880197 HAZKEBNCKHGNQD-UHFFFAOYSA-N 348.233 3.304 30 1 EGEF COc1ccc([C@H](O)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 72114986 LODBLQXGKDSFHP-SFHVURJKSA-N 332.363 3.182 30 1 EGEF C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)C2=CC[C@H](O)[C@H](C)[C@]21C 238749519 XNFJEQDIJGSDDI-MFEACKHVSA-N 330.380 3.278 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(N2CCNCC2)cc1 587907423 LUUNPUHPEQBFSJ-UHFFFAOYSA-N 326.827 3.158 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(/C=C\C(N)=O)c(F)c1 587916038 ANVIGCRCQRTMNO-TWGQIWQCSA-N 329.758 3.386 30 1 EGEF COc1cc(OC)c2[nH]c(C#Cc3ccc([N+](=O)[O-])c(C)c3)nc2c1 587262152 OJQXGGXEKBKJPO-UHFFFAOYSA-N 337.335 3.197 30 1 EGEF Cc1ccc(C(=O)/C=C/c2nc3c(S)nc(S)nc3[nH]2)cc1 587965075 GPRRABIDPGWHSS-VOTSOKGWSA-N 328.422 3.135 30 1 EGEF C=C1[C@@H]2CC(=O)c3c(ccc(C(C)C)c3OC)[C@@]2(C)CC[C@@]1(O)CO 1772657348 LAOWDZCIEOFGTF-ZLGUVYLKSA-N 344.451 3.352 30 1 EGEF C=C1C[C@](C)(COc2ccc3c(C)c(Cl)c(=O)oc3c2)OC1=O 5957123 DHEJXBLSCKRICZ-QGZVFWFLSA-N 334.755 3.395 30 1 EGEF C[C@H]1CN(/C(S)=N/N[C@H](C)c2nccc3ccccc23)C[C@H](C)O1 169373095 BLJOMYNVSNUVKA-MELADBBJSA-N 344.484 3.195 30 1 EGEF CCOC(=O)[C@@H]1C(=N)OC2=C(C(=O)CCC2)[C@@H]1c1sccc1C 169691547 VAZXUFWDWQDLOM-KBPBESRZSA-N 333.409 3.334 30 1 EGEF CC1=CC(=O)[C@H]2[C@H]3[C@H]1[C@@]2(C)[C@H](O)C[C@H](OC(=O)CC(C)C)C3(C)C 2356460410 UGKBIZLCLHQSKU-JLWLBXNFSA-N 334.456 3.133 30 1 EGEF C=C[C@]1(C=O)C[C@H](OC(=O)[C@H](C)CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)C 2356425103 FOBYLSACEYVQOU-OODQHKCASA-N 346.423 3.009 30 1 EGEF C=C[C@@H]1C(C)(C)C(=O)[C@H]2C[C@@]1(C)[C@@H]1[C@@H]2O[C@@H]2C(=C(C)C)C(=O)O[C@@H]21 2356553940 NKPVPBRRTXGXPI-TXNSGTEUSA-N 330.424 3.069 30 1 EGEF COc1ccc2[nH]c(C)cc(=NN=Cc3ccccc3[N+](=O)[O-])c2c1 299817958 ZIEIEUVQFPOJGJ-UHFFFAOYSA-N 336.351 3.328 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2[nH]c([C@@H](C)O)nc2c1 587910308 UVSNYLRFYNHKNQ-SNVBAGLBSA-N 327.771 3.073 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc([N+](=O)[O-])c1O 587899534 FFCHGNVNCUJUHJ-UHFFFAOYSA-N 347.710 3.060 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c2[nH]cnc2c1 587907115 DQCRJTBCONKUPI-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF COc1cc2c3c(c1)O[C@](CC#N)(c1ccccc1OC)[C@@H](C2)C3=O 587427057 GOHQHFXURVDVFB-MGPUTAFESA-N 335.359 3.260 30 1 EGEF C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3 5849321 FUHHXQHMWOVSNL-IENALNPRSA-N 346.467 3.278 30 1 EGEF O=C1N[C@H](C(=O)O)Cc2ccccc2CCCCCCC[C@@H]1CS 13760970 VJXGETICKRSWGC-SJORKVTESA-N 349.496 3.241 30 1 EGEF C[C@H]1[C@@H]2CC=C3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32[C@@H](O)N1C 2356382308 VZECFJJIDYGXAI-HBNHAYAOSA-N 339.479 3.463 30 1 EGEF C=CCN1CCN([C@H](c2ccccc2)c2ccc(C(=O)O)cc2)CC1 28761692 HWGUWPLOHDEVGR-HXUWFJFHSA-N 336.435 3.278 30 1 EGEF C=C1CCC2=C(C)CO[C@@H]2C=C(C)CC[C@H](O)[C@](C)(O)CC[C@@H]1O 2356523426 RAUBSCWQZYSZOV-ZGXWSNOMSA-N 336.472 3.031 30 1 EGEF CC(C)=CC(=O)C[C@](C)(O)[C@H]1COc2oc3cccc(C)c3c(=O)c21 14883709 SFPSPSPJZWINEJ-XOBRGWDASA-N 342.391 3.254 30 1 EGEF biogenic C=C1C(=O)O[C@H]2[C@@H]3O[C@@]3(C)CC/C=C(\C)C[C@H](OC(=O)C=C(C)C)[C@@H]12 238757239 RNMWXCRWDPPZDF-BQVUUTHESA-N 346.423 3.250 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C/CC/C(C)=C/[C@@H](O)C[C@H]2C 299877041 GQTPRLWQZDUWKJ-HBXNHIICSA-N 334.456 3.299 30 1 EGEF CCNS(=O)(=O)c1cccc(C#Cc2cc(Cl)ccc2OC)c1 587918444 RTBPPZVQFXANPC-UHFFFAOYSA-N 349.839 3.047 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([C@@H](N)CC(=O)O)c(F)c1 587916507 NNWSPAITHOMFKZ-INIZCTEOSA-N 347.773 3.362 30 1 EGEF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)CC1(C#N)CCOCC1 963637560 SPVATEHTQKSJRB-AUUYWEPGSA-N 344.455 3.164 30 1 EGEF C/C(=C\COc1ccc2ccc(=O)oc2c1)C[C@H]1O[C@@H]1C(C)(C)O 13374355 UUNMPBCTAGMNET-NNSTXHOFSA-N 330.380 3.047 30 1 EGEF CC1(C)Oc2ccc(C#N)cc2[C@@](F)(C(=O)Nc2ccccc2)C1=O 13650103 TYAJKWOGNNTUFV-IBGZPJMESA-N 338.338 3.102 30 1 EGEF Cc1ccc2c(n1)C(=O)C(NCCc1ccccc1)=C(Cl)C2=O 1857612775 NKPJRDKTOVOCDE-UHFFFAOYSA-N 326.783 3.052 30 1 EGEF CO/N=C1C(=C2\C(=O)Nc3c(Cl)cccc32)\Nc2ccccc2\1 101108230 KGGUWCRKBQMNMR-SYYABDKXSA-N 325.755 3.479 30 1 EGEF C=C(C)C(=O)c1ccc(OCc2nc(C)no2)cc1Br 45259574 QNHBRPWUCVDTFX-UHFFFAOYSA-N 337.173 3.478 30 1 EGEF CC(C)CC(=O)OC[C@@]1(c2ccccc2OC(=O)CC(C)C)CO1 238746763 RGDJYUJULIUHAW-IBGZPJMESA-N 334.412 3.453 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(NC(C)=O)cc1C(=O)O 587899390 AJOWMAYPQZBLRZ-UHFFFAOYSA-N 343.766 3.405 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)n2cccn2)o1 587912567 SEKWIOHLDPVXGI-UHFFFAOYSA-N 326.739 3.226 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(OCCN(C)C)c(C)c1 587909218 MNMFKSNSHLZDCM-UHFFFAOYSA-N 344.842 3.392 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc([C@@H](N)CC(=O)O)c1 587904623 SCNBTGHVPLAKIM-INIZCTEOSA-N 329.783 3.223 30 1 EGEF COC1=CC=C/C(=C\NNc2cc(C)nc3ccc(OC)cc23)C1=O 13124067 SIPWYPRFQJQRNK-ACCUITESSA-N 337.379 3.021 30 3 EGEF CC(=O)OC/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 103275471 KSCYMHLRSJZRDJ-WJDWOHSUSA-N 325.320 3.424 30 1 EGEF CCCOc1cc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)ccn1 113410509 BMYVDHHWZQELHB-MRXNPFEDSA-N 336.435 3.337 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)[C@@H](OC(=O)C(C)=CC)C[C@@H]12 2356691434 JMTACQPPCMADFS-XLAORIBOSA-N 346.423 3.010 30 1 EGEF O/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 34577910 RNLQMKBRFVLIFI-HEHNFIMWSA-N 344.846 3.126 30 1 EGEF COc1ncc(F)cc1-c1nc2c(Br)cc(C#N)cc2[nH]1 587174490 JVNAXWKNVOEEIP-UHFFFAOYSA-N 347.147 3.407 30 1 EGEF C=CCOc1cc(Br)cc(Nc2cc(C)nc(N)n2)c1 1772586499 VNDBMTBTEQOVJV-UHFFFAOYSA-N 335.205 3.438 30 1 EGEF CCCCNc1c(C#N)c(NCCCC)c2c(N)nc(N)nc2c1F 58541621 WSHOVCSAKHDGBQ-UHFFFAOYSA-N 345.426 3.229 30 1 EGEF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356633147 ZGODLWLWPALTFR-LWRBVXSGSA-N 328.452 3.470 30 1 EGEF CCCCCCCCOc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1 43366061 SHEIEKNNXURUHR-LSDHHAIUSA-N 348.447 3.236 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(OC)C=C[C@@](C)(C[C@@H](OCC(C)C)[C@@H]12)O3 238749975 OCMNFBXJZYUCJE-KMPYGETESA-N 348.439 3.163 30 1 EGEF N#Cc1cncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587589544 XWFDHRZHQIBVJD-PXNSSMCTSA-N 344.326 3.362 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)ccn2)N1 587772910 PQADSLLUOUTJDE-XXFAHNHDSA-N 346.203 3.478 30 1 EGEF C=CCN1C=C2C(=O)[C@](C)(OC(=O)CC)C(=O)C=C2C=C1CCCC 13817370 WIQUAOMYHWHORX-HXUWFJFHSA-N 343.423 3.236 30 3 EGEF C=C1C(=O)O[C@H]2[C@H](O)C(C)=CCCC(C)=CCCC(CO)=CC[C@H]12 253665841 IAWHPIHHKZYGDC-GUDVDZBRSA-N 332.440 3.221 30 1 EGEF O=C1NC2=C(C(=O)CCC2)[C@@H](c2cc3ccccc3[nH]c2=S)N1 103283170 LDEJJYYZOOPTKZ-OAHLLOKOSA-N 325.393 3.258 30 1 EGEF CC1=C[C@@H]2OC[C@](C)(O)C2=CC[C@](C)(O)C=CC[C@]2(C)O[C@H]2CC1 2356795643 MIBUYZPWLCLWSC-KNJMJIDISA-N 334.456 3.048 30 1 EGEF CC(C)C[C@@H](C(=O)NO)C(=O)NCc1cccc(-c2ccccc2)c1 35269821 QJSRLRIQQRHWNE-GOSISDBHSA-N 340.423 3.138 30 1 EGEF C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@@]1(O)C3 254044202 CAZYNLSCRWNLPJ-KIOJNPINSA-N 346.467 3.422 30 3 EGEF COc1ccc(Cl)cc1C#Cc1c(C)nn([C@@H](C)C(=O)O)c1C 587903073 WAISBZMQGHONCB-LBPRGKRZSA-N 332.787 3.207 30 1 EGEF N#CC1(C#N)[C@H](c2ccccc2)O[C@@]23CCCC[C@@H]2[C@]1(C#N)C(=N)O3 169300649 WZLSMMJVGMRTON-WTLGNFPFSA-N 332.363 3.195 30 1 EGEF C=CCOc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](O)[C@@H](O)[C@@]3(C)CC[C@@H]21 169356419 GVKVGOGUDSJCLX-ONCDUWEWSA-N 328.452 3.439 30 1 EGEF COc1ccc([C@](C#N)(CCCN2CCOCC2)C(C)C)cc1OC 202962170 DIEOOZMYOZMARZ-FQEVSTJZSA-N 346.471 3.234 30 1 EGEF CC(C)=CC(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12 27631853 SOEIXLGHNJNQRL-UHFFFAOYSA-N 326.440 3.431 30 1 EGEF O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N\C(S)=N/C[C@@H]3CCCO3)c2c1 102391063 MMQIWRZEEWTZDF-CTXYUEPQSA-N 349.372 3.330 30 1 EGEF N=C(N)N/N=C/c1ccc(Cl)cc1OCc1ccc(Cl)cc1 28888741 REIBIJZUPUGDDY-DNTJNYDQSA-N 337.210 3.389 30 1 EGEF CCCCCCCCNS(=O)(=O)C[C@@H]1NCc2ccc(C)cc21 96020243 LERQOOBXCSKFOW-SFHVURJKSA-N 338.517 3.419 30 3 EGEF COc1ccc(Cl)cc1C#Cc1cc(C)cn2cc(C(=O)O)nc12 587912670 UTCJNMSZBZVYJB-UHFFFAOYSA-N 340.766 3.403 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(N)c(Br)c1 587902868 CTJSBCURHLWXGM-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(=N)[nH]c1Br 587910451 BIAHIVBCXSXTCO-UHFFFAOYSA-N 337.604 3.318 30 1 EGEF N#Cc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1C#N 587162729 LAMBQDGINXPWBV-UHFFFAOYSA-N 333.326 3.017 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)O)c(C(=O)O)c1 587903398 FGZJNSBUHFFMDS-UHFFFAOYSA-N 330.723 3.145 30 1 EGEF C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@H](C)C=CCC(=O)OC 1857609682 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COc1ccc(Cl)cc1C#Cc1cccc2nc(C(=O)O)cn12 587912416 HNOMITAOSQDBPK-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF C[C@H](NC(=O)CC(F)(F)F)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587093490 FKDQKLVCJJWGAK-VKHMYHEASA-N 343.202 3.249 30 1 EGEF CC1(C)CN(O)C(=O)c2ncc3c(ccn3Cc3ccc(F)cc3)c21 169326999 PDUJZWNMCSCQKG-UHFFFAOYSA-N 339.370 3.346 30 1 EGEF C=CC(=C)[C@@H]1[C@H](OC(C)=O)OC=C2[C@H](CC=C(C)C)OC(=O)C[C@@H]21 2356381676 VJHRYODKPASJPU-CBVHJVASSA-N 332.396 3.436 30 1 EGEF COc1ccc([C@@H]2CC[C@H](OCC#Cc3cccnc3)O2)cc1OC 29253978 TVUDALZLWZZSGD-FXAWDEMLSA-N 339.391 3.345 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=CCC[C@@]1(C)O[C@H]21 2356545133 DWNHGPRUSBRDRF-QRXRQMIZSA-N 346.423 3.250 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356557994 ITWYQAIFKHRKRR-KZNAEPCWSA-N 346.423 3.011 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)C=C(C)C)[C@H]12 2356624154 SSNIKFYEQNIUHF-OQIJWPOYSA-N 346.423 3.010 30 1 EGEF 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C=C1[C@H]2CC[C@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)C5)[C@@H]3C2)[C@@H]1O 104058190 KNYGXNFGZONVKK-UUYWHIPUSA-N 345.527 3.214 30 1 EGEF C=C1CC[C@]2(O)C(=C)CO[C@@H]2C=C(C)CC[C@@H]2O[C@]2(C)CC[C@H]1O 2356512653 AUUMUUHNIPXGDI-IVDHNXQLSA-N 334.456 3.048 30 1 EGEF CC1=CC(=O)[C@H]2[C@H]3[C@H]1[C@@]2(C)[C@@H](OC(=O)CC(C)C)C[C@H](O)C3(C)C 2356597686 RDXOGOHCELXCJV-CFFWPSJKSA-N 334.456 3.133 30 1 EGEF N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(Cl)c2)n1 221120225 UQRXIGNSEDKLNW-MFKMUULPSA-N 344.806 3.029 30 1 EGEF N#Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587588753 RYMVDVOIDRFYNR-YLJYHZDGSA-N 344.326 3.362 30 1 EGEF Cc1c(/C=N/Nc2cccc(Cl)c2)[n+](=O)c2ccccc2n1O 1772622483 CYZHNZXAGNTSPA-VCHYOVAHSA-N 329.767 3.201 30 1 EGEF CC(=O)[C@@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@@H]2C1 13736586 CWLAYYXVQIWWAE-XQHKEYJVSA-N 342.391 3.134 30 1 EGEF C=CC[C@@]12C[C@@]3(OCOC3=CC1=O)[C@@H](C)[C@H]2c1ccc2c(c1)OCO2 2356335773 CPRHYOIFRQCXFD-KEHCIXGTSA-N 340.375 3.311 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)[C@H](OC(=O)C(C)=CC)C[C@H]12 2356691432 JMTACQPPCMADFS-BSDSXHPESA-N 346.423 3.010 30 1 EGEF CC1(C)C(=O)C(C)(C)[C@@]23Oc4ccccc4[C@@H](CC(=O)C2=C1O)O3 14826929 XZEWTFGHFZJQDU-BFUOFWGJSA-N 328.364 3.253 30 1 EGEF biogenic Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C#N 587574862 CKGVHUGVTAHKPB-PXNSSMCTSA-N 346.342 3.305 30 1 EGEF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=CC1=C[C@@H](O)OC1=O 2356589110 AJJYJDWULCXJIR-UJAMICLKSA-N 330.424 3.322 30 1 EGEF C=C1C(=O)[C@]23C[C@H](O)[C@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)C2=CC[C@@H]1C3 2356815526 CSODFCSZYDJPLH-FKPNXUSWSA-N 330.424 3.110 30 1 EGEF C=C1CC[C@H](OC(C)=O)[C@]2(C)C[C@]3(OCC)OC(=O)C(C)=C3C[C@@H]12 15056779 WOBIYOUKUXILKH-WQCNXYOZSA-N 334.412 3.291 30 1 EGEF biogenic CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(=O)O)cc1 95598377 YXZLBQTXTXILMV-INIZCTEOSA-N 336.432 3.166 30 1 EGEF CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12[C@H]1O[C@@H]31 238733412 JNHXFBNCZCMHFO-LCWZLUEOSA-N 348.483 3.311 30 1 EGEF C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@H](C)CC)=C\C[C@H]12 13585349 VQRWOFINNQGFFG-QIOGOHTRSA-N 348.439 3.093 30 1 EGEF Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@]3(C2)O[C@@H]3CC[C@@]1(C)O 15221196 YEJOGLGTCMPSQQ-UGNAIYESSA-N 334.412 3.073 30 1 EGEF N#Cc1cc(NC(=O)c2ccc(F)cc2)c(O)n2c1nc1ccccc12 18148993 NFNYXVPXGIRBJK-UHFFFAOYSA-N 346.321 3.456 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)C(=O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 40949634 FKDIIXZIKCNXAT-LNDGIMAUSA-N 344.407 3.218 30 1 EGEF in-man COc1cccc(/C=C/C(=O)c2ccc(S(C)(=O)=O)cc2)c1OC 653726360 CEJPZJHGLOBOTF-FMIVXFBMSA-N 346.404 3.003 30 1 EGEF CCCc1c(O)ccc2c1O[C@@](CC#N)([C@H]1CCCOC1)CC2=O 587471016 XUSPVBLJPKAZPF-ORAYPTAESA-N 329.396 3.389 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(OC)c(N)c1C(=O)O 587900062 LAFDSZBIGAZJBJ-UHFFFAOYSA-N 331.755 3.037 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2ccc([N+](=O)[O-])cn12 587912227 JCICKGJRMHLUHA-UHFFFAOYSA-N 327.727 3.304 30 1 EGEF N#Cc1ccc(-c2ccc3oc(N4CCOCC4)cc(=O)c3c2)cc1 13677065 DCMZOOMOWRPQEL-UHFFFAOYSA-N 332.359 3.168 30 1 EGEF COc1ccccc1/C=C/C(=O)c1c(O)cc(O)c(OC)c1OC 14640163 QGFIMWDJZRAYAE-CMDGGOBGSA-N 330.336 3.020 30 1 EGEF O=C(O)[C@H]1CCCN(CCO/N=C/c2ccccc2-c2ccco2)C1 1857536115 SFNSOPYACZVAFL-UOEVCUDDSA-N 342.395 3.094 30 1 EGEF CNC(=O)/C(=N/OC)c1ccccc1COc1c(C)ccc(C)c1C 103193967 OODSUVQNRZFGKP-RELWKKBWSA-N 340.423 3.287 30 1 EGEF C[C@@H]1Cc2c(O)c3c(c(O)c2O1)[C@]1(C)CC[C@]2(C)O[C@@]2(C)C1=CC3=O 2356595010 PKEXFWWHNQGVIY-HACHLWIFSA-N 342.391 3.143 30 1 EGEF N#Cc1ccc(/C=C/Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)cc1 71341713 BGYWBNLXNHEROU-NSCUHMNNSA-N 348.333 3.424 30 1 EGEF N#Cc1nc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2nc1C#N 587074127 QPZZMLJCOIYCJE-UHFFFAOYSA-N 334.770 3.220 30 1 EGEF CCn1c(N2CCN(/C(S)=N/CC(C)C)CC2)nc2ccccc21 13477700 OFPQEYUBLBPLQC-UHFFFAOYSA-N 345.516 3.120 30 3 EGEF CC1CCC(=N/N=C2/SCC(=O)N2C(=O)c2ccccc2)CC1 1857640939 ZJBSBNHINQAZRP-JZYZOZIISA-N 329.425 3.324 30 1 EGEF CC(C)(C)c1cc(-c2nsc(N=C(N)N)n2)cc(C(C)(C)C)c1O 27194174 NBOPYOBZQNDPOJ-UHFFFAOYSA-N 347.488 3.411 30 1 EGEF C=C[C@](C)(O)CC(=O)C=C(C)CCC=C(C)[C@@H](O)C(=O)C=C(C)C 2356548714 BKESAQVDKCRGEE-UXHICEINSA-N 334.456 3.452 30 1 EGEF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 587164559 WJENZGRIUAQTHQ-HNNXBMFYSA-N 329.766 3.273 30 1 EGEF C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2cnc(C#N)c(Cl)c2)c1O 169727155 DGBFEZVHSXRNHT-IYBDPMFKSA-N 331.759 3.063 30 1 EGEF CN[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 22941196 HWYZEJDWSUNZPS-HXUWFJFHSA-N 335.451 3.288 30 1 EGEF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@](C)(O)[C@@]13C 2356509103 CBOLYDOXFPZAIY-ULKVZQIESA-N 346.423 3.383 30 1 EGEF O=C(C=CCCc1ccc(O)c(O)c1)C=Cc1ccc(O)c(O)c1 2356537705 BQXWNGCLBOSNPN-UHFFFAOYSA-N 326.348 3.280 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=CC2=CC(=O)C[C@H](C)[C@]21C 2356729201 MLPADAGLUVTHDI-VNNHTSALSA-N 342.391 3.177 30 1 EGEF CNC(=S)N/N=C(\c1ccc(C(C)(C)C)cc1)c1ccccn1 95593899 BBQNGLQVIGSXEB-LTGZKZEYSA-N 326.469 3.225 30 1 EGEF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)C/C(C)=C/CC[C@@]1(C)O[C@H]21 523041474 DWNHGPRUSBRDRF-AQDYHZNKSA-N 346.423 3.250 30 1 EGEF biogenic Brc1cncc2[nH]c(C=NOCc3ccccc3)nc12 587189471 BGWYKNSTGDZIPX-UHFFFAOYSA-N 331.173 3.271 30 1 EGEF COC(=O)CC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587905320 QLZHQQGJEBUROH-UHFFFAOYSA-N 342.778 3.494 30 1 EGEF O=C1C=CC2=C(c3ccccc3C(=O)O)Nc3ccc(O)cc3OC2=C1 13126644 XQTWMDBACXSQRV-UHFFFAOYSA-N 347.326 3.329 30 3 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)[C@H](OC(=O)[C@@H](C)CC)C[C@@H]12 2356663093 SQRYPCTWZQIPKH-VDMKFOLZSA-N 348.439 3.089 30 1 EGEF C#C[C@]1(O)[C@H](O)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3[C@@H](CC)C[C@@]21C 13651854 DFPUWDQQZUIBSA-QFKAKKQPSA-N 340.463 3.220 30 1 EGEF CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 19314944 QYRDETJDJSUQCM-FDCFBWIESA-N 341.363 3.397 30 1 EGEF CCCCCCCC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(C)=O)[C@@H](C1)N2C 169351164 GEBXVKMFYZIRIJ-YLFCFFPRSA-N 325.449 3.057 30 1 EGEF C=C1C[C@H](O)/C=C(\C)CC[C@@H]2[C@@H](/C=C/CC(C)(C)O)C(=O)OC[C@@H]12 166667555 JPXHSRKLVHCCBD-NKGJCYNWSA-N 334.456 3.156 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2[C@H](C=CCC(C)(C)O)C(=O)OC[C@@H]12 2356740782 JPXHSRKLVHCCBD-BDXSIMOUSA-N 334.456 3.156 30 1 EGEF CC#C[C@@H](c1ccc(OCc2ccccc2)cc1)[C@@H]1OC(=O)NC1=O 71341176 NANAVBKZZAPDSA-ROUUACIJSA-N 335.359 3.008 30 1 EGEF CCCCCCCCc1nc2c([nH]1)N1C(=N[C@@H]3CCC[C@@H]31)N(C)C2=O 36243138 SUBAMCUSHNFRHM-KGLIPLIRSA-N 343.475 3.495 30 1 EGEF COCCN/C(=N\O)c1cccnc1Oc1ccc(C(C)C)cc1 72185234 AFEFFMQYYPHNJL-UHFFFAOYSA-N 329.400 3.369 30 1 EGEF CC(=O)O[C@H]1CCC2=CCC[C@H](C)[C@@]2(C)[C@H]2O[C@@]2(C)[C@H]1OC(C)=O 137453900 BBKOWFMHJNGPFC-CEIAJMORSA-N 336.428 3.164 30 1 EGEF CO[C@H]1CCC2=C(CN(C)c3c2ccc2cc4c(cc32)OCO4)C1=O 238779815 LHCWTGWITBHAPB-INIZCTEOSA-N 337.375 3.150 30 1 EGEF Cc1cccc(COc2ccc(C3=NN(CCC#N)C(=O)CO3)cc2)c1 13826741 IYGIGRSDEVNNAD-UHFFFAOYSA-N 349.390 3.008 30 1 EGEF CC(=C[C@@H]1C(=O)C(C)=C[C@@H]1O)CCC=C(C)[C@H]1CC=C(C)C(=O)O1 2356348778 FPIGZCFWUBVDJZ-OKZBNKHCSA-N 330.424 3.427 30 1 EGEF C[C@@H]1CC[C@H](/C(S)=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21 29243289 QWWYIFWBKVBVPN-PWSUYJOCSA-N 343.408 3.040 30 1 EGEF O=C1C=C[C@H]2[C@H](c3ccc4c(c3)OCO4)C[C@H]1N2Cc1ccccc1 104162506 ONQQYFYIKCBECT-OKZBNKHCSA-N 333.387 3.281 30 3 EGEF CC(C)=CCC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)O[C@H]2CC=C2C(=O)OC[C@@H]21 2356427309 VWLSFZIMFNLSBI-NXVFCBQXSA-N 334.456 3.397 30 1 EGEF C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CO 118932732 SVWJFFROLUZTEH-KFMOPURYSA-N 332.484 3.488 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C\CC/C(C)=C/[C@@H](O)C[C@@H]2C 618009178 GQTPRLWQZDUWKJ-BLNVRYQSSA-N 334.456 3.299 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)ccc1C(=O)O 587899891 GVEWNYNMCSYIGJ-UHFFFAOYSA-N 330.723 3.145 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)NC(=O)[C@@H](C)O2 587909517 YJXLQZCODSORTF-LLVKDONJSA-N 327.767 3.468 30 1 EGEF C[C@]1(c2cccc(C#N)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962763348 KDRUBIIKFPZZKK-FUHWJXTLSA-N 344.336 3.467 30 1 EGEF Cc1ccc(COc2ccc(C3=NN(CCC#N)C(=O)CO3)cc2)cc1 13826743 OBKMIXWYFYLVHW-UHFFFAOYSA-N 349.390 3.008 30 1 EGEF CCCCn1cnc2c(NCc3ccc(OC)cc3)nc(C#N)nc21 14977821 POVXXMYAQGIGCL-UHFFFAOYSA-N 336.399 3.119 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCCC(C)=CCC[C@](C)(O)[C@H](O)C[C@H]12 2356447871 HZAPTPBMBOIGCM-MLYOOKFZSA-N 334.456 3.443 30 1 EGEF N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4207539 CFGCPHPJWCZDQM-GOEBONIOSA-N 343.770 3.055 30 1 EGEF CCCC[C@@](O)(C#C[C@]1(OC)CN2CCC1CC2)c1ccccc1 28563153 DVSLSPWSCJLOGG-RTWAWAEBSA-N 327.468 3.179 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OCC(C)=CC)[C@@H]12)O3 2356508425 WZSKOSACJPMXOP-OXDNJNNQSA-N 346.423 3.107 30 1 EGEF C=C(C)[C@H](O)CC[C@H](C)CCC[C@H](C)CCC[C@](C)(O)[C@@H](O)CO 2356675849 IJARVPWBFHJSRM-MDMHHNQBSA-N 344.536 3.421 30 1 EGEF CC1(C)O[C@@H]1Cc1c(O)ccc2c1O[C@@H]1c3ccc(O)cc3OC[C@H]21 2356732512 VFEZVGIIHWZKLN-LSBZLQRGSA-N 340.375 3.427 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(\CO)CC/C=C(/C)CC/C=C(/C)[C@H]2O 195359177 IAWHPIHHKZYGDC-UKNMFUSXSA-N 332.440 3.221 30 1 EGEF Nc1cccc(C#Cc2ccc3c(c2)nc(C(=O)O)c2cccn23)c1 96923829 SSMSUUMCHPONLL-UHFFFAOYSA-N 327.343 3.168 30 1 EGEF COC1CCN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)CC1 299854722 AIBHMWUNRKKSLW-UHFFFAOYSA-N 333.395 3.112 30 1 EGEF C#C[C@]1(c2ccc(Br)cc2F)NCCc2ccc(O)cc21 963341104 KHNDJTMKJLAEER-QGZVFWFLSA-N 346.199 3.316 30 1 EGEF Cc1ccc(/N=C(\O)CCN2C(=O)c3ccncc3C2=O)c(Cl)c1 212596 FXXGCPQWPGILAA-UHFFFAOYSA-N 343.770 3.318 30 1 EGEF CN1C(=O)[C@H](CC(=O)NC2CCCCC2)S/C1=N\c1ccccc1 13132785 YRMRLKJXSVNPGE-ZJYNUGOYSA-N 345.468 3.087 30 1 EGEF C=C1[C@@H](OC(=O)CC(C)C)C[C@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 15107406 RJNJFKDVPIFVPQ-CFZAHQCGSA-N 336.472 3.379 30 1 EGEF endogenous,in-man CC(=C[C@@H]1C(=O)C(C)=C[C@H]1O)CCC=C(C)[C@@H]1CC=C(C)C(=O)O1 2356348777 FPIGZCFWUBVDJZ-KSZLIROESA-N 330.424 3.427 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2C(=CC[C@@H]3OC3(C)C)CO[C@H](O)[C@@H]12 2356540868 BKEVIEYLBYCAMR-GFEQUFNTSA-N 334.456 3.109 30 1 EGEF C#C[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)c4cc(OC)ccc4[C@@H]3CC[C@]21C 2356782732 KEBORPGMLOMTJD-KCMLCWNUSA-N 326.436 3.407 30 1 EGEF CC#CC#C[C@@H](OC(=O)CC(C)C)c1cccc(OC)c1C(=O)OC 15218719 SLFQABPRKSHFMU-MRXNPFEDSA-N 342.391 3.139 30 1 EGEF biogenic CCCCCCCCNS(=O)(=O)CCNCCc1ccccc1 72136572 MKSFRRMPGFANFG-UHFFFAOYSA-N 340.533 3.099 30 3 EGEF COc1ccc(N(CCCCCCC(=O)NO)c2ccccn2)nc1 141453580 XUMPRLGEOUYOMZ-UHFFFAOYSA-N 344.415 3.079 30 1 EGEF O=C(C[C@H](Cc1ccccc1)C(=O)O)[C@@H](S)Cc1ccccc1 1772638676 WKEKGURBGWIHET-WMZOPIPTSA-N 328.433 3.430 30 1 EGEF Clc1ccc(-c2nc(/C=N\N3CCOCC3)c3ccccn23)cc1 13114168 PJVOAZMVIYLJHI-MOSHPQCFSA-N 340.814 3.321 30 1 EGEF CCCCc1ccccc1-n1nc2c(c(C#N)c1=N)CC(C)(C)OC2 169730354 CCUCNIXKGDFSNK-UHFFFAOYSA-N 336.439 3.417 30 1 EGEF COc1ccc(/C=N/n2cnc3c4cc(OC)ccc4nc-3c2O)cc1 103540641 PJAUYZSSOIENOO-UFFVCSGVSA-N 348.362 3.141 30 1 EGEF C=C(C(=O)CC=C(C)C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)CC(C)C 238744916 WRTBQRDYSKVOOV-QQDKQVRDSA-N 348.439 3.172 30 1 EGEF CNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1 587889832 ZGELLOYJQXIPEQ-UHFFFAOYSA-N 348.233 3.141 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(OC)c(N)c(C(=O)O)c1 587903709 NJQVEUGTNAMHJZ-UHFFFAOYSA-N 331.755 3.037 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 2356668992 JDJDTBKVRVBWGQ-OBZJAWTPSA-N 346.423 3.298 30 1 EGEF O=C(/C=C(O)/C=C\c1ccc(O)cc1)C[C@@H](O)c1ccc(O)cc1 238788183 KCCQFTTZQGVDFQ-NEDCYQNFSA-N 326.348 3.246 30 1 EGEF C[C@H](CS)C(=O)N(CC(=O)O)[C@@H]1CCCC[C@H]1c1ccccc1 261139960 MXVGENQUBZJOOE-VNQPRFMTSA-N 335.469 3.192 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ncc2cc(CO)oc2c1OC 587913551 WJQBRTHZTYXMMD-UHFFFAOYSA-N 343.766 3.391 30 1 EGEF Cc1ccc2oc(=O)c(C[C@@H](Cc3ccccc3)C(=O)NO)cc2c1 28979013 UOINUECLJZQMHR-MRXNPFEDSA-N 337.375 3.008 30 1 EGEF O=C1c2ccccc2[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N1O 66078271 XQWIAIUMIULJIW-AWEZNQCLSA-N 335.281 3.403 30 1 EGEF O=[N+]([O-])c1ccc(O)c(/C=N/CCSCCc2ccccn2)c1 45255808 ZYTDSULAUFPITL-SFQUDFHCSA-N 331.397 3.090 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(NC=O)c1[N+](=O)[O-] 587900486 QFLUBAGNNLHQIC-UHFFFAOYSA-N 330.727 3.225 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)O)cc1[N+](=O)[O-] 587901220 WDVJKXZQUVIAOV-UHFFFAOYSA-N 331.711 3.355 30 1 EGEF CCC(=O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 59202944 CMOJNYRANQREGD-IJDHQMKWSA-N 348.439 3.113 30 1 EGEF in-vitro C=C1c2c(ncn(-c3ccc(Br)cc3)c2=O)OC1(C)C 103252094 PEISFCJTCOJFDV-UHFFFAOYSA-N 333.185 3.179 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC(=O)C[C@H]2C)[C@H](O)[C@@H]1OC(=O)C(C)=CC 2356515027 WVTQOHPHJQZYSY-AHPGETRFSA-N 334.456 3.443 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC(=O)C[C@H]2C)[C@H](OC(=O)C=C(C)C)[C@H]1O 2356646705 MTCZUFGHNMDVRH-KNLVXHHQSA-N 334.456 3.443 30 1 EGEF N#Cc1c(-c2ccc(O)cc2)cc(-c2nc3ccccc3[nH]2)nc1N 96933522 SJQAEGQCGKZGBB-UHFFFAOYSA-N 327.347 3.451 30 1 EGEF C=CCN1[C@@H](Cc2ccccc2)COc2cc(F)ccc2S1(=O)=O 96020534 YWMLKISFNGBDDA-INIZCTEOSA-N 347.411 3.006 30 3 EGEF O=C1C=C[C@]2(C=C1Cl)OC[C@@H](c1cccc(Br)c1)O2 96916779 OORFOPWOOLFOBO-KBPBESRZSA-N 341.588 3.495 30 1 EGEF C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@@]1(O)C3 254044211 CAZYNLSCRWNLPJ-SCLBVHBMSA-N 346.467 3.422 30 3 EGEF CCOCCCN=c1ccc(C#Cc2cc(Cl)ccc2OC)c[nH]1 587908361 RKXGCBYZQOREPV-UHFFFAOYSA-N 344.842 3.404 30 1 EGEF N#Cc1cc(Br)c2nc(-c3ccc(CO)cc3)[nH]c2c1 586895643 REMAOABCAJSRON-UHFFFAOYSA-N 328.169 3.356 30 1 EGEF Cc1ccnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587889845 ZLIPWTNGPWCWKE-UHFFFAOYSA-N 333.218 3.407 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CC(=O)N(C)OC)cc1 587905711 FPBRBUYHNGXUNB-UHFFFAOYSA-N 343.810 3.311 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CN2CCNCC2)s1 587921139 USTAEXNMVIRJMB-UHFFFAOYSA-N 346.883 3.215 30 1 EGEF CN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(C#N)cc2)OC1=O 28572335 ATQNIXIMBNWAJE-FQEVSTJZSA-N 349.434 3.401 30 1 EGEF COc1cccc([C@H]2C3=C(NC(=S)N2C)c2ccccc2C3=O)c1 101466590 UOCMRDFQMNTZKK-KRWDZBQOSA-N 336.416 3.164 30 1 EGEF C[C@@H]1CO[C@@]2(C)OC3=C(C[C@H]12)C(=O)C1=C(C3)O[C@@]2(C)OC[C@@H](C)[C@H]2C1 2356484693 DHNCDYKKHYKXJZ-LWPMRBJNSA-N 346.423 3.305 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C[C@]2(C)O[C@]23C[C@@H]2[C@H](C[C@H](C)[C@@H]13)OC(=O)[C@H]2C 2356586737 MDEMEQWVIWOHHX-QWELCJGQSA-N 348.439 3.020 30 1 EGEF CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCC2)CN2CCC1CC2 28564073 VDLFTAVQHMFQHW-FGZHOGPDSA-N 339.479 3.179 30 1 EGEF CCCCCC=CC1=C(CC)[C@@H]2OC(C)(C)[C@H](O)C[C@]23O[C@@H]3[C@H]1O 2356854489 RPEQSKPEWZMDDW-QTVCLEQKSA-N 336.472 3.270 30 1 EGEF COc1cccc([C@H]2NC(=S)N(C)C3=C2C(=O)c2ccccc23)c1 68152229 XYGCJFPIVHXCSK-MRXNPFEDSA-N 336.416 3.164 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(C#N)c2)N1 587795465 XJPFSCFYWHNSRW-VXJOIVPMSA-N 334.192 3.412 30 1 EGEF Cc1ccc(C(=O)/C=C/c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587966565 WJAMHZFBWNZGLL-VOTSOKGWSA-N 333.347 3.098 30 1 EGEF C=CC[C@@]1(CNC(=O)OCC)c2ccc(F)cc2C[C@H]2CCCN21 963095020 BYLGOJQBPHSTDW-VQIMIIECSA-N 332.419 3.364 30 1 EGEF N=C(N)c1ccc(/C=C2\CC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1 12354902 MGAQOPOKKIOCCX-JYFOCSDGSA-N 344.418 3.085 30 1 EGEF CC(=O)OC[C@@]12CC[C@@H](C(C)C)[C@@H](OC(C)=O)[C@@H]1C(C)=CC(=O)C2 13321725 SVEJFWCDTHHUNF-OKYOBFRVSA-N 336.428 3.069 30 1 EGEF COc1ccccc1C/N=C(\O)CCS(=O)(=O)c1cccs1 213713 MHDPCSOEWQRAFT-UHFFFAOYSA-N 339.438 3.077 30 3 EGEF COc1c(C)c(O)c(C(O)=CC(=O)c2ccccc2)c(O)c1C=O 2356336465 NDXOLILIMMVXLG-UHFFFAOYSA-N 328.320 3.009 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)CCC=C(C)C[C@@H](O)[C@@H]12 2356422252 KKAPMISEUVNCQQ-NCXUSEDFSA-N 332.440 3.219 30 1 EGEF C=C(CO)[C@@]12C=C3C(=O)C[C@H](C(C)C)[C@@]3(C)CC[C@]1(C)CC(=O)O2 38692928 GEJWTRKISNYIIC-DMSXTEQDSA-N 332.440 3.198 30 1 EGEF COC(=O)c1ccc(N2C[C@H]3C[C@@]34C2=CC(=O)c2ccccc24)cc1 34646311 JBGGSXBNZSSTPU-SPLOXXLWSA-N 331.371 3.331 30 1 EGEF CC[C@@H](C)C(=O)O[C@H]1CC(C)=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 238762461 LQUIPYXNZMFMLO-MCBDLUPCSA-N 348.439 3.020 30 1 EGEF N#Cc1ccc2c(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)coc2c1 587278496 HVFWNYPEARZAPV-UHFFFAOYSA-N 337.247 3.352 30 1 EGEF COC(=O)[C@]1(C#N)CC(=O)N(CC2CCCCC2)[C@@H]1c1ccccc1 203469611 PVOQTNBRPAJZGU-QUCCMNQESA-N 340.423 3.223 30 3 EGEF C=CCNC(=O)[C@@H](C(C)C)N(C(=O)c1cccnc1)C1CCCCC1 28953012 UXIFFAKODRELKA-GOSISDBHSA-N 343.471 3.183 30 1 EGEF O=C1C=C[C@@]2(C=C1Cl)OC[C@H](c1cccc(Br)c1)O2 96916777 OORFOPWOOLFOBO-ZIAGYGMSSA-N 341.588 3.495 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(C#N)c2)N1 587789084 BVUKPWKZGXAURP-AYVTZFPOSA-N 334.192 3.412 30 1 EGEF CC1=C[C@H](O)C[C@]2(C)O[C@@H]2C[C@@]2(C(C)C)CC[C@@](C)(O2)[C@@H](O)CC1 2356333512 SMDIJQJOQYXYQB-YDETXVTLSA-N 338.488 3.350 30 1 EGEF CC(=C[C@@H]1C(=O)C(C)=C[C@@H]1O)CCC=C(C)[C@@H]1CC=C(C)C(=O)O1 2356348776 FPIGZCFWUBVDJZ-BZSNNMDCSA-N 330.424 3.427 30 1 EGEF NC(N)=NC(=O)Cc1c(-c2ccccc2)csc1-c1ccccc1 28826078 PPKBHBJOIMCNRC-UHFFFAOYSA-N 335.432 3.425 30 1 EGEF Cn1cc(/C=C/C(=O)c2cc3ccccc3o2)cc1/C=C/C(=O)NO 40392774 IUHSUJCHQCVUNV-CDJQDVQCSA-N 336.347 3.186 30 1 EGEF C=C(C)[C@H]1C[C@]2(C)[C@H](CC(=O)C[C@H]2C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1O 238738818 WLNBDZUPCWZZJJ-IBHDFQBRSA-N 334.456 3.443 30 1 EGEF N#CC[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555772 MAQFTTNAMJILRX-SUMWQHHRSA-N 331.274 3.271 30 1 EGEF CCOc1cc(/C=C2\Oc3ccc(OC(C)=O)cc3C2=O)ccc1O 1772636869 GVKSTKQNQPMUJE-NVMNQCDNSA-N 340.331 3.332 30 1 EGEF O=C1C=C/C(=C\NN=C(c2ccccc2)c2ccccc2)C(O)=C1O 13123253 WSIYBECGCYNOPY-DTQAZKPQSA-N 332.359 3.379 30 3 EGEF CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@@]2(C)CC1=O)O[C@@H](C)C4 14765504 CEFJBQPEKNGIIU-FHZGZLOMSA-N 340.375 3.111 30 1 EGEF biogenic,in-vitro COC(=O)N1CC[C@](O)(C#Cc2cccc(C)c2)[C@H]2CCCC[C@@H]21 103273436 KHTQLWFDNBGZGX-CMKODMSKSA-N 327.424 3.109 30 1 EGEF N#Cc1c(SCC(=O)c2ccccc2)nc(NN)c2c1CCCC2 66166837 LYJAWGTXUXYVFU-UHFFFAOYSA-N 338.436 3.093 30 1 EGEF O=C(C=C(O)C=Cc1ccc(O)cc1)C[C@@H](O)c1ccc(O)cc1 2356550059 KCCQFTTZQGVDFQ-LJQANCHMSA-N 326.348 3.246 30 1 EGEF C=C(C)[C@@H]1Oc2ccc(C(C)=O)cc2[C@@H]1OC(=O)C[C@@](C)(O)CC 2356649289 HUHWAEWCMOXKEF-FHWLQOOXSA-N 332.396 3.362 30 1 EGEF COc1ccc([C@H]2O[C@@H]2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 45387023 BFBOCNWCUSKNOS-IEBWSBKVSA-N 344.363 3.044 30 1 EGEF N#C[C@@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 221194441 XJSBRSVRXPBILK-NHYWBVRUSA-N 327.363 3.120 30 1 EGEF COc1ccc(Cl)cc1C#Cc1nn(C)c2cc(C(=O)O)ccc12 587913384 RWBYQWRAFQWSLC-UHFFFAOYSA-N 340.766 3.333 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(O[C@H](C)C(N)=O)c1 587905479 WRKGZMCPOZNIAD-GFCCVEGCSA-N 329.783 3.001 30 1 EGEF Nc1ccc(C(=O)/C=C/c2cc(-c3ccc4c(c3)OCO4)n[nH]2)cc1 1857747614 NZUUVCAERWPIAT-VOTSOKGWSA-N 333.347 3.284 30 1 EGEF CCNc1nc2cc(Cl)c(C#CC[C@H](C)O)cc2nc1NCC 115764919 NUKFJQUPCJJTIE-NSHDSACASA-N 332.835 3.269 30 1 EGEF C=C[C@](C)(O)CC(=O)C=C(C)CCC=C(C)[C@H](O)C(=O)C=C(C)C 2356548713 BKESAQVDKCRGEE-PMACEKPBSA-N 334.456 3.452 30 1 EGEF C=C[C@]1(C)CC(=O)C2=C(CC[C@@H]3C(C)(C)OC(=O)CC[C@@]23C)[C@H]1O 2356796512 NIMXJYFXUBSDPY-SJFSSXKUSA-N 332.440 3.341 30 1 EGEF N#CCCN(Cc1coc(-c2cccc(F)c2)n1)C[C@H]1CCCO1 72102828 MPRFOJZXLPMBSE-QGZVFWFLSA-N 329.375 3.375 30 1 EGEF C=CCO[C@@H]1C=CCC[C@H]1N(O)c1ccc(Br)cn1 73169510 BFZRPYAOIJBMTA-CHWSQXEVSA-N 325.206 3.330 30 1 EGEF COc1ccc(Oc2nc(C)ccc2/C(=N/O)NCC2CC2)cc1 72184436 YHHDICAMVAZEPJ-UHFFFAOYSA-N 327.384 3.326 30 1 EGEF CCCCCCCCNS(=O)(=O)CCNCc1ccccc1 72134188 XXYCSVCQTYECKS-UHFFFAOYSA-N 326.506 3.056 30 3 EGEF C=C(C)[C@H](O)Cc1c(OC)c(OC)cc2nc3occc3c(OC)c12 138808275 NZCSKPHQVOOCEZ-CQSZACIVSA-N 343.379 3.486 30 1 EGEF COC1=C(C)C(=O)C(C)(C)C(=O)/C1=C1\C=Cc2c(OC)cccc2O1 86037138 KDISTAMNBFLYIO-FOCLMDBBSA-N 340.375 3.453 30 1 EGEF C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)([C@@H](O)CC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 238757882 UWEUEOYKRAUFAO-SROPKWAUSA-N 332.440 3.190 30 1 EGEF COc1cc([C@@H](O)CC=C(C)C)c(OC)c2c1/C(=N/O)C=C/C2=N\O 299831245 NXQOILUNQMZUJD-NLANNOSLSA-N 346.383 3.020 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnn(C(C)C)c1CC(=O)O 587902249 BKRIORVGDRISJV-UHFFFAOYSA-N 332.787 3.153 30 1 EGEF Cc1nc2ccccc2c(=O)n1N/C=C1\C=Cc2ccccc2C1=O 13126295 XQMXIUNFYSDGQW-NTCAYCPXSA-N 329.359 3.042 30 3 EGEF C=C1[C@H]2CC(=O)[C@H]([C@@H](C)O)[C@@H]2[C@H](C(C)C)C[C@H]1OC(=O)CC(C)C 13337082 RJNJFKDVPIFVPQ-ALGDSVFLSA-N 336.472 3.379 30 1 EGEF in-man COc1cc2c(cc1OC)[C@@H]1C/C(=N/O)[C@@H]3CCCC[C@@H]3N1CC2 6017855 CADPBCPVJBOUEG-CRKUYRSISA-N 330.428 3.396 30 1 EGEF in-man CCN(C(=O)c1ncc(C#Cc2cccc(F)c2)cn1)C(C)(C)C 208995146 GVFGGFFIXQRPKM-UHFFFAOYSA-N 325.387 3.276 30 1 EGEF Cc1c[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4ccccc4[nH]1)C3=CC2=O 100950770 XSIHIAJHMICCIT-ZSEKCTLFSA-N 343.386 3.298 30 1 EGEF CN1[C@H]2C[C@H](OC(=O)[C@@H](c3ccccc3)C3CCCC3)C[C@@H]1[C@H]1O[C@@H]21 103228793 NWXGNSBDKXVRMY-CFSBILQPSA-N 341.451 3.116 30 1 EGEF COC(=O)CSCCCCCCOC1=C(C)C(=O)S[C@@H]1C 28334400 RYJAKUPPMFEQKA-GFCCVEGCSA-N 332.487 3.406 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1CC=C(C)[C@@H](O)CCC(C)=CCC[C@@]2(C)O 2356760628 ASSMVNDLURCOIV-DOADOZAASA-N 334.456 3.443 30 1 EGEF C#CCNc1ccnc2sc3c(=O)n(-c4ccc(C)cc4)cnc3c12 71295107 CEJVVRHTVXTMIG-UHFFFAOYSA-N 346.415 3.349 30 1 EGEF C#CCOc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587564728 VZYWSZPEADNCQX-UHFFFAOYSA-N 338.279 3.058 30 1 EGEF O=C1C=CN(S(=O)(=O)c2ccc(F)cc2)[C@H](c2cccs2)C1 206062403 QSVSGJQWQNBEDH-AWEZNQCLSA-N 337.397 3.106 30 3 EGEF C/C1=C\CC[C@]2(C)O[C@H]2[C@@]2(O)OCC3=C2[C@H](O)C[C@@H](C)[C@]3(C)CC1 101391139 QERBULPKWCHSBH-HWLXXCBNSA-N 334.456 3.087 30 1 EGEF CC(=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)[C@@H](O)CC3)CO 2356588165 KOATXBNOVXBDJE-YRFFXBIPSA-N 346.467 3.445 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](O)[C@H](OC(=O)C=C(C)C)[C@H]12 238773833 SSNIKFYEQNIUHF-NXEAUFAASA-N 346.423 3.010 30 1 EGEF C[C@H](Oc1ccc(C#N)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587191580 RTKLGLXVGQKYNG-QMMMGPOBSA-N 333.273 3.335 30 1 EGEF CC(=O)C1=C(O)[C@H]2Cc3c[nH]c4cccc(c34)[C@H](C=C(C)C)N2C1=O 2356325283 NZIXIWLXGCTHNZ-JKSUJKDBSA-N 336.391 3.343 30 1 EGEF C=CCOc1c2ccc(C(=O)NCc3ccc(C)cc3)cc2nn1C 8762933 RJYAWOMHTCKFHD-UHFFFAOYSA-N 335.407 3.377 30 3 EGEF C[C@@H]1CC[C@H]2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2CO 27564109 XYYGJBNQYUEXTK-DQAPRGMSSA-N 336.472 3.105 30 1 EGEF C=C1CC=C2[C@H](C=C(C)CC[C@@H]3O[C@]3(C)CC[C@H]1O)OC[C@]2(C)O 2356804882 VBDTURLFWRHISG-JAZQRGJZSA-N 334.456 3.048 30 1 EGEF COc1ccc(/N=C/c2ccc(OC(C)=O)c(OC)c2[N+](=O)[O-])cc1 299855837 BRHJWEGHFLXNGN-VCHYOVAHSA-N 344.323 3.288 30 1 EGEF COC(=O)c1cc(N)c(C#Cc2cc(Cl)ccc2OC)cc1F 587914827 DJDHGGCNINXDAO-UHFFFAOYSA-N 333.746 3.256 30 1 EGEF N#Cc1cc(Cl)c2nc(-c3cccnc3SCC(=O)O)[nH]c2c1 586966652 HWFPNVSUNHJWEK-UHFFFAOYSA-N 344.783 3.327 30 1 EGEF COC(=O)c1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2n1 586900710 DWUSLNLFWDCOQY-UHFFFAOYSA-N 343.342 3.404 30 1 EGEF CCCC[C@@H](CC(=O)NO)[S@@](=O)c1ccc(Br)cc1 13808959 SPLASNJPKRQCNT-HXPMCKFVSA-N 348.262 3.011 30 1 EGEF CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C#N)cc3)n2)CC1 201768441 VWUWLLOUELYXGW-UHFFFAOYSA-N 341.436 3.041 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@](C)(O)[C@@H](O)CCC(C)=CCCC(C)=CC[C@H]12 2356446199 AQTDUFOIYAZLRP-XSYGEPLQSA-N 334.456 3.443 30 1 EGEF C[C@@H]1CO[C@@]2(C)OC3=C(C[C@@H]12)C(=O)C1=C(C3)O[C@@]2(C)OC[C@@H](C)[C@H]2C1 2356484691 DHNCDYKKHYKXJZ-HRQZCSEUSA-N 346.423 3.305 30 1 EGEF CCOc1ccc(Oc2cc(/C(=N/O)N3CCC=N3)ccn2)cc1 72184066 FIIYDCOFPUQTFR-JZJYNLBNSA-N 326.356 3.100 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(/C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238769938 ZYKRXWIPMUJNME-NJYQSCQOSA-N 346.423 3.010 30 1 EGEF CCC(CC)=N/N=C1\SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 653790073 CSVATAKEAXPNAD-ICFOKQHNSA-N 334.401 3.202 30 1 EGEF N#Cc1ccc2c(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)coc2c1 587277997 JWNAQNPQEVZDDH-HXUWFJFHSA-N 346.386 3.388 30 1 EGEF COc1ccc(Cl)cc1C#Cc1sc(C=O)c2c1OCCO2 587920626 KHVDVTKMUVJUGG-UHFFFAOYSA-N 334.780 3.394 30 1 EGEF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C#CCO)cc1)CC2=O 587490324 RKIBZNXLQXYCNR-HXUWFJFHSA-N 336.387 3.395 30 1 EGEF O=C(CCS)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661221 LXAMUJJLOIGZKJ-UHFFFAOYSA-N 328.368 3.163 30 1 EGEF N=C(NO)c1cccc(C#Cc2c(N)ncc3ccc(Cl)cc23)c1 1772575203 MEEQWGNELBPYHH-UHFFFAOYSA-N 336.782 3.174 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C\CC[C@@]3(CO)O[C@@H]3C[C@H]12 169299951 PRUIDJLINDRLON-UFJFTQFGSA-N 332.440 3.461 30 1 EGEF CC1(C)Oc2ccc(C(=O)C=Cc3ccc(O)cc3)c(O)c2C[C@H]1O 2356455055 FLBNWTQYELEITH-GOSISDBHSA-N 340.375 3.068 30 1 EGEF CN1[C@H]2C[C@H](OC(=O)[C@H](c3ccccc3)C3CCCC3)C[C@@H]1[C@H]1O[C@@H]21 103228796 NWXGNSBDKXVRMY-FFDFYAMSSA-N 341.451 3.116 30 1 EGEF N#Cc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 28394812 WXNPZGFGASAXOU-UHFFFAOYSA-N 342.337 3.402 30 1 EGEF C=C1C(=O)O[C@@H]2[C@H](O)C(C)=CCCC(C)=C[C@H](OC(=O)CC(C)C)[C@@H]12 2356679257 MNHSQYVNGHDFEY-AITUJVMLSA-N 348.439 3.089 30 1 EGEF CC1(C)O[C@@H]1Cc1c(O)ccc2c1O[C@H]1c3ccc(O)cc3OC[C@@H]21 2356732514 VFEZVGIIHWZKLN-YJLNNSPDSA-N 340.375 3.427 30 1 EGEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 257401884 CZEMYYICWZPENF-ATJOAUKOSA-N 348.439 3.076 30 1 EGEF endogenous,in-man CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3C#N)nc2c1 587158568 OJIFJYDZLVHQJL-UHFFFAOYSA-N 329.356 3.034 30 1 EGEF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC#N)c1 587387465 SAHQAUXMTYVQFH-GOSISDBHSA-N 338.363 3.195 30 1 EGEF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(N)c(C#N)c3)nc2c1 587248596 BQSWHMPDGQLYNU-UHFFFAOYSA-N 326.743 3.124 30 1 EGEF N#Cc1ccc(-c2ccc(OCCCN3C[C@H]4CNC[C@@H]4C3)cc2)cc1 13859998 IVRXDSYEBGHJBD-NHCUHLMSSA-N 347.462 3.145 30 1 EGEF O=C1CC[C@@H](O)[C@@H]2C1=C(O)C=CC21Oc2cccc3cccc(c23)O1 14636430 KHWCPGYSJZWUAY-AUUYWEPGSA-N 336.343 3.029 30 1 EGEF biogenic O=C(/C=C/c1ccc(CNCC23C[C@@H]4CC2C[C@H](C4)C3)cc1)NO 103130925 ZZYZMWFSFLYJQU-CBEZBZKUSA-N 326.440 3.121 30 1 EGEF COc1ccc([C@@H](CC(=O)O)C2=CC(=O)c3ccccc3C2=O)cc1 103100758 KSFAOWKOIKKPNR-MRXNPFEDSA-N 336.343 3.259 30 1 EGEF OC[C@H](O)C#CC#C/C=C\CCCCCC/C=C\Br 238764816 CLUHNURDRVTBII-DNIJBFBASA-N 325.246 3.152 30 1 EGEF C[C@H](C#N)c1cccc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587187494 IBZCKOQPQXAMFX-SNVBAGLBSA-N 327.365 3.104 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(N2C(=O)C=CC2=O)cc1 587907547 NDHKRBQXXIYBIS-UHFFFAOYSA-N 337.762 3.178 30 1 EGEF NCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587882067 KIGOPIZKOPHHQW-UHFFFAOYSA-N 347.245 3.163 30 1 EGEF CC[C@H](O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 13834566 DKJBMDONLLGPRA-INIZCTEOSA-N 349.438 3.142 30 1 EGEF COC(=O)c1cccc(COc2ccc3cc(C#N)c(=O)oc3c2)c1 169304482 QCZUTXONRBBCCO-UHFFFAOYSA-N 335.315 3.030 30 1 EGEF CCN1C=C[C@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@@H]21 101979220 RQWFHOCWLIUNTF-BBRMVZONSA-N 341.407 3.225 30 1 EGEF C=C[C@](C)(O)C[C@@H](O)C=C(C)CCC=C(C)CC[C@H](O)C(C)(C)O 2356599558 DUKIIUKDKITKSX-BJLQDIEVSA-N 340.504 3.259 30 1 EGEF C=C(CC[C@H](C=C[C@](C)(O)CC(=O)OC)C(C)C)[C@@H]1CCC(=O)O1 2356710478 FXGAQFNYCJXRIU-GJYPPUQNSA-N 338.444 3.171 30 1 EGEF CCC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(C)c(O)cc(C#N)c21 71333158 VDWNSIGXUCTGLG-GOSISDBHSA-N 328.368 3.096 30 1 EGEF COc1ccc(Cl)cc1C#Cc1nn(C)cc1Br 587913135 IAJNEHAHFVSPDM-UHFFFAOYSA-N 325.593 3.244 30 1 EGEF COC(=O)c1cc(F)c(C#Cc2cc(Cl)ccc2OC)cc1N 587914813 DEHZUTREOANZSN-UHFFFAOYSA-N 333.746 3.256 30 1 EGEF CN(C)CCN1N=C(c2ccccc2)CC2=C1CC(C)(C)CC2=O 169325855 OLNRPSNQFNZWOP-UHFFFAOYSA-N 325.456 3.301 30 1 EGEF COc1ccc([C@@](C#N)(CCCN2CCOCC2)C(C)C)cc1OC 202962158 DIEOOZMYOZMARZ-HXUWFJFHSA-N 346.471 3.234 30 1 EGEF C=CC[C@]12CCCC(=O)[C@]1(O)O[C@H](c1ccc3c(c1)OCO3)[C@H]2C 2356341102 GHWAOEFITBMWCE-UCVSXLDNSA-N 330.380 3.127 30 1 EGEF CC1(C)Oc2ccc(C#N)cc2[C@@H]2[C@@H]1OCC(=O)N2Cc1ccccc1 27525151 UVJDJAMNNPIWNR-UXHICEINSA-N 348.402 3.198 30 1 EGEF C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@]45O[C@H]4C(=O)[C@H](C#N)C[C@]5(C)[C@H]3CC[C@@]21C 118920075 JARKEVRMNQUONS-KLWWRQBRSA-N 343.467 3.230 30 1 EGEF C=C1CCC=C(C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H](O)[C@@]2(C)CC[C@H]1O2 2356624577 HNHDPFYELJZTEZ-BFMVXSJESA-N 332.440 3.459 30 1 EGEF CCCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccc(C#N)cc1 82154511 BJCUQIUAJOBSCL-UHFFFAOYSA-N 349.438 3.145 30 1 EGEF CC(C)=CC(=O)O[C@@H]1CCC(C)(C)[C@@]2(C)[C@]3(CO3)[C@H](CO)C[C@]12C 2356532170 SKEVLCWFNQWZAL-VNEALKQTSA-N 336.472 3.478 30 1 EGEF C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@@H]2CC[C@]3(C)O)[C@@]2(C)CCC(=O)C=C12 2356754796 LZRQDFQQYIQZLG-CSRPFASASA-N 332.484 3.486 30 1 EGEF C[C@]12CCC(=O)C=C1C[C@@H](N1CC1)[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12 263591285 TVLJGVSJCIAMRD-OHEBNXRLSA-N 329.484 3.173 30 3 EGEF Cn1nnc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1C(F)F 587128474 MQFUBQUQDLBWIC-UHFFFAOYSA-N 342.231 3.186 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(C(=O)O)nn(C)c2c1 587907872 WGRAQYCHRDLZFL-UHFFFAOYSA-N 340.766 3.333 30 1 EGEF CC(=O)N1CCN([C@H]2/C(=C\c3ccccc3)C(=O)c3ccccc32)CC1 1857613812 BSCDQHWJFPKASI-LSSXRZCCSA-N 346.430 3.172 30 1 EGEF CC(=C[C@@H]1CC(C)=CC(=O)O1)CCC[C@H](CO)C1=CC(=O)C(C)(C)O1 2356416681 BRJHUZQYQKIANE-HZPDHXFCSA-N 348.439 3.235 30 1 EGEF CC1=C2[C@@H](O)C(=O)O[C@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C 3978314 XQOSNJUURCKQGN-DUMWOWFSSA-N 344.451 3.197 30 3 EGEF in-vitro CCN1C(C)=C(C(=O)OC)[C@@H](c2cccc(F)c2)N/C1=N\CC(C)C 66139382 IAUKIJHXUUMCBS-QGZVFWFLSA-N 347.434 3.251 30 1 EGEF CCCCCCCCC[C@@H](O)/C=C/[C@H](O)[C@@H](O)CCCC(=O)O 70455465 XYVMMUYIQOLBNH-ACWVRRSXSA-N 330.465 3.021 30 1 EGEF biogenic,in-vitro Cn1c(C#N)ccc1-c1ccc2c(c1)[C@@](C)(c1ccco1)OCC(=O)N2 45497496 WZKWYTSJJZVJLU-FQEVSTJZSA-N 347.374 3.389 30 1 EGEF CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccc(C(=O)O)cc1 653899396 SITVXFWETPBBMY-WJDWOHSUSA-N 343.316 3.316 30 1 EGEF O=C(O)c1cc(Br)cc2nc(C#Cc3ccccc3)[nH]c12 587953634 OBZIZTHFFAFRPO-UHFFFAOYSA-N 341.164 3.423 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)ccn2)N1 587772080 NHYUJRQACNWYFQ-ABKXIKBNSA-N 346.203 3.478 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc([C@H](N)CC(=O)O)c1 587904624 SCNBTGHVPLAKIM-MRXNPFEDSA-N 329.783 3.223 30 1 EGEF C=CCN1C(=O)C(c2c(O)n(CCCC)c3ccccc23)=NC1=S 5869764 XMBPOLGVZFQDDW-UHFFFAOYSA-N 341.436 3.249 30 1 EGEF CS(=O)(=O)c1ccc(C2=C(c3cc(Cl)ccn3)C(=O)CC2)cc1 13796675 DUFCCGCFKPQHHO-UHFFFAOYSA-N 347.823 3.412 30 1 EGEF Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3CCCC3)nc21 13861462 JZGOLBTTWAAMMN-UHFFFAOYSA-N 335.386 3.293 30 1 EGEF COc1ccccc1/C=C/C=N/[C@H]1C(=O)N(c2ccccc2)[N+](C)=C1C 18154812 HCRFYBMVNBFTDG-MGDFZXSDSA-N 348.426 3.213 30 3 EGEF C=C1CCC=C(C)C[C@@H]2OC(=O)C(=C)[C@H]2CC=C(CO)CC[C@H]1O 2356428214 BNELYNVRKNPZHR-QRVBRYPASA-N 332.440 3.221 30 1 EGEF CC=C(C)C(=O)C[C@]1(O)[C@](C)(O)CC[C@]2(O)C(C)(C)CCC[C@]21C 2356472341 TYUIIMQERZUJOC-YSTOQKLRSA-N 338.488 3.135 30 1 EGEF C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@]1(O)[C@@H]1OC1(C)C 2356564617 VXYOXKDSQQPXPF-MISYRCLQSA-N 342.391 3.095 30 1 EGEF CCOc1ccccc1CN/C(=N\O)c1cccnc1OC1CCC1 72184586 KIWKJULRYZQDJJ-UHFFFAOYSA-N 341.411 3.337 30 1 EGEF O=C(/C=C/c1ccc(CNCc2ccc3ccccc3n2)cc1)NO 1772637491 ZZAHBOBPSBJKLS-FMIVXFBMSA-N 333.391 3.043 30 1 EGEF C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]2C)[C@@H](O)C1=O 1571973 OYZPDCNJODPOBW-BRJGOWFHSA-N 334.456 3.443 30 1 EGEF O=C(CCCCCNC(=O)c1ccc(-c2ccccc2)cc1)NO 13472306 XMTHYZUOJBKOQM-UHFFFAOYSA-N 326.396 3.149 30 1 EGEF C=CC(C)(C)c1c(O)c(C=CC(=O)O)c(O)c2c1OC(C)(C)CC2=O 2356497099 ZHBFXUSQQRFIRT-UHFFFAOYSA-N 346.379 3.403 30 1 EGEF C[C@]1(CO)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13C=C(CC=O)[C@@H](CC[C@H]21)C3 2356682697 QIILVVQSUDKWRM-HQVUBJEZSA-N 332.484 3.488 30 1 EGEF CCCCCCCCC1(Cc2ccccc2)C(=O)NC(=O)NC1=O 95558144 MWKXYRJSVHPPLM-UHFFFAOYSA-N 330.428 3.332 30 1 EGEF CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)O[C@@H]([C@@]3(C=O)O[C@H]3CO)C[C@H]21 238773939 MBVODZZHGAGOPM-PEIUPEMUSA-N 336.472 3.105 30 1 EGEF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(C#N)cc(Br)c2[nH]1 587961950 HKIUCPRITDUHDC-WPRPVWTQSA-N 332.201 3.355 30 1 EGEF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(C#N)c2[nH]1 587038649 AQRNALBVNTXRAY-LBPRGKRZSA-N 330.413 3.417 30 1 EGEF C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)C(=C)CC/C=C(\C)CCC[C@H](C)[C@H]2O 5922176 SQZQILNEYFKUMI-YSIFGUBHSA-N 334.456 3.299 30 1 EGEF CCOc1ccc(C2[C@@H](C#N)C(=N)SC(=N)[C@@H]2C#N)cc1OC 169688394 CNFQHWNHJOBHKT-HRQHSXBYSA-N 328.397 3.158 30 1 EGEF COc1ccc(C=CC(=O)c2c(OC)cc(OC)c(OC)c2O)cc1 1857622736 MAOWYEHMWILRMH-UHFFFAOYSA-N 344.363 3.323 30 1 EGEF COc1ccc(-c2nc3nnccn3c2-c2cccc(C#N)c2)cc1 1857630950 NXKFHTVWZGQIGZ-UHFFFAOYSA-N 327.347 3.339 30 1 EGEF Cn1ccnc1-c1ccc([C@H]2[C@H](C(=O)NO)[C@@H]2c2ccccc2)cc1 103251633 GBGPACXMYDEVFM-KZNAEPCWSA-N 333.391 3.090 30 1 EGEF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@@]45CC(=O)O[C@@H]4O[C@@H](O5)C3=CC(=O)[C@@H]12 2356585768 BKJQOXVYESWIQG-AWJRKYLQSA-N 346.423 3.123 30 1 EGEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)[C@@H](OC(C)=O)C(=O)OC 2356795435 MALPJVTVFUHQQW-LWLHJNNISA-N 336.428 3.021 30 1 EGEF O=C1c2c(O)cccc2C2(Oc3cccc4cccc(c34)O2)[C@@H]2O[C@H]12 14636396 QVLQAXXFMIVMPV-RTBURBONSA-N 332.311 3.133 30 1 EGEF biogenic N#Cc1c(O)nc2nc(-c3ccc(-c4ccccc4O)cc3)[nH]c2c1O 142073139 QEPYSPYJLFXZDN-UHFFFAOYSA-N 344.330 3.280 30 1 EGEF COC(=O)CCCCC/C=C\C=C\C#CC#C/C=C\COC(C)=O 238785318 VOPPYPDHFHINPK-IMCAGCNZSA-N 328.408 3.348 30 1 EGEF CO[C@H]1[C@@H]2C(=O)C(C)=CC3=C[C@H](C)C[C@@]34O[C@]2(CC1(C)C)[C@@H](C)C4=O 96928275 QDXAGMGNXFSAQO-SGGSCYEVSA-N 344.451 3.256 30 1 EGEF CC/N=C(/S)N(Cc1cccnc1)Cc1ccc(OC)c(OC)c1 13471607 RPTIZVVRBKKEDM-UHFFFAOYSA-N 345.468 3.407 30 3 EGEF CC(C)=CC[C@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)C[C@@H](C)O[C@@]431)C2=O 169349414 REMHECGSDXLQKX-LPBFPZLJSA-N 330.424 3.152 30 1 EGEF C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 100781435 CZEMYYICWZPENF-XDQYEILZSA-N 348.439 3.076 30 1 EGEF endogenous,in-man CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)C[C@]34O[C@]3(C[C@@H]12)OC(=O)[C@@H]4C 2356428251 CTNPFCZJXCPEDX-FYDCMZASSA-N 348.439 3.369 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2C(=CC[C@@H]3OC3(C)C)COC(=O)[C@@H]12 2356455905 LMFHJCCRCFDDMJ-BDXSIMOUSA-N 332.440 3.317 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C(C)(C)[C@@H]2[C@H](O)C[C@H](C)[C@@]23C=CC(=O)[C@]13C 2356642407 GGMZSZPEXMFREO-KTZZECONSA-N 332.440 3.053 30 1 EGEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C=O 2356738208 DHEPJQQWDJWPJY-FFBJDJJLSA-N 332.440 3.190 30 1 EGEF C=C1CCC=C(C)CC[C@@H]2O[C@]2(C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]1O 2356789724 DPOVKCOROWWUOF-AISVETHESA-N 332.440 3.459 30 1 EGEF Cn1nc(-c2ccc(Cl)cc2)cc1N/C(=N/C(C)(C)C)NC#N 33855179 LOFXPYOOFLJZMD-UHFFFAOYSA-N 330.823 3.378 30 1 EGEF CC(C)(C)OC(=O)N[C@@H](C(=O)NO)c1ccc(-c2ccsc2)cc1 653807481 FAOIWJQOUSNGGG-CQSZACIVSA-N 348.424 3.486 30 1 EGEF Cc1ccnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O 587888916 DHAUCUDWKXIPHB-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnn([C@@H]2CCCCO2)c1C=O 587902378 DIXMBWDPNWMOTI-SFHVURJKSA-N 344.798 3.457 30 1 EGEF COc1ccc2cc(C=NS(=O)(=O)c3ccc(C)cc3)n(C)c2c1 1857622929 CLWACLXHHXQFQL-UHFFFAOYSA-N 342.420 3.303 30 1 EGEF C=C1[C@H]2CC[C@]3(CC[C@@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)C5)[C@@H]3C2)[C@@H]1O 104058194 KNYGXNFGZONVKK-OVFLGSAZSA-N 345.527 3.214 30 1 EGEF N#Cc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@@H]1C2 117624306 VVZNCSHIBODHMZ-OXJNMPFZSA-N 342.402 3.379 30 1 EGEF C=C(C)[C@@H]1Oc2ccc(C(C)=O)cc2[C@@H]1OC(=O)C[C@](C)(O)CC 2356649290 HUHWAEWCMOXKEF-GBESFXJTSA-N 332.396 3.362 30 1 EGEF COCc1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12 95578674 XDKQWNNOKZKCIU-UHFFFAOYSA-N 347.422 3.131 30 1 EGEF C[C@H]1Cc2ccccc2C[N@+]1(C)CC(=O)c1cccc([N+](=O)[O-])c1 253589646 KJPXXDPGGYIUGW-LHSJRXKWSA-N 325.388 3.369 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc([N+](=O)[O-])cc1)O2 587388913 HRXUSYKIEXPWGZ-GOSISDBHSA-N 337.335 3.260 30 1 EGEF O=C1Nc2ccc(F)cc2/C1=C\C(=O)c1ccc(-n2ccnc2)cc1 1772651271 WTOLSKGNKXSFNY-MHWRWJLKSA-N 333.322 3.230 30 1 EGEF CNC(=S)N/N=C\c1cn(Cc2ccc(C)cc2)c2ccccc12 15974173 ATMMWZRIJACQRN-NHDPSOOVSA-N 336.464 3.426 30 1 EGEF Cc1nccc(C(=O)N[C@]23CCC[C@](C#Cc4ccccn4)(CC2)C3)n1 204975897 SHBRNDUJRSMILW-LEWJYISDSA-N 346.434 3.055 30 1 EGEF CC(C)NC[C@@H](O)CO/N=C1\CCCOc2c1ccc1ccccc21 3961875 JOKHSKJBGWQZFC-UFIXSJTLSA-N 342.439 3.092 30 1 EGEF Cc1ccc(S(=O)(=O)/N=C(\O)N(C)c2ccc(Cl)cc2)cc1 26480278 XMUZNMWVGHJEOX-UHFFFAOYSA-N 338.816 3.388 30 1 EGEF COC(=O)[C@@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@H]2CC=C(C)C 103237215 LUIKELAQLPRGNL-FOIQADDNSA-N 344.407 3.424 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@@H](OC(=O)C(C)=CC)[C@@H]1O 2356631675 KSHIKWOUQJRNSY-QVBVYDSZSA-N 336.472 3.235 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@H]2[C@@H]1COC(=O)[C@H]2C=CCC(C)(C)O 2356740785 JPXHSRKLVHCCBD-ZJPYXAASSA-N 334.456 3.156 30 1 EGEF C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@H](C)/C=C/CC(=O)OC 72104333 KJHMKRHEJWSQIB-IUCDDXOCSA-N 347.411 3.404 30 1 EGEF CN1CC[C@@H](CN(Cc2ccccc2)Cc2cccc(C#N)c2)OC1=O 40565124 XNOPGRDSWKGRCM-FQEVSTJZSA-N 349.434 3.401 30 1 EGEF O=C(NO)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 653850990 NRHLTNNRCQOFMH-UHFFFAOYSA-N 325.151 3.365 30 1 EGEF COc1cc(-c2nc3cccc(C#N)c3[nH]2)nn1-c1ccccc1F 587155261 CHWMTQHNTQIYBM-UHFFFAOYSA-N 333.326 3.435 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(-n2nnnc2S)cc1 587919159 TXAIHBPPWHTWPM-UHFFFAOYSA-N 342.811 3.013 30 1 EGEF COc1cc(NN/C(C)=C2/C=CC(=O)C(C)=C2)nc(-c2ccccc2)n1 13124356 NATMHDPNZOJCAQ-PEZBUJJGSA-N 348.406 3.428 30 3 EGEF C#Cc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1 13743208 MOTORROLEIFMGE-UHFFFAOYSA-N 325.375 3.409 30 1 EGEF CCOc1ccc(C#Cc2ccc([C@@H](C)NC(=O)[C@@H](C)O)cc2)cc1 169706264 WNFSSHPMPIQPIE-HZPDHXFCSA-N 337.419 3.043 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)C=C(C)C)[C@@H](O)[C@@H]12 2356431256 JJFSJHYLXOTBEF-BVBHFADKSA-N 346.423 3.010 30 1 EGEF CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C 2356542639 AGQDSDOJDGKJHC-ZTCLFZAASA-N 332.484 3.486 30 1 EGEF N#Cc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1C#N 587068825 FHYHPIQYEAPFCQ-CQSZACIVSA-N 335.798 3.245 30 1 EGEF C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C/C(C)=C\[C@@H](O)C1)OC3=O 169354348 NAXRGDYBDAKNAZ-DPRZGDKOSA-N 332.440 3.402 30 1 EGEF CC(C)C1=C2CC[C@](C)(OC(=O)[C@]3(C)O[C@@H]3C)C(=O)C[C@@]2(C)CC1=O 169455299 KXDJJFRBSRHHLA-FBFWQHAYSA-N 348.439 3.150 30 1 EGEF CO[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1NC(=O)OC(C)(C)C 29389343 FZFRPAGGYLEQCB-HUUCEWRRSA-N 332.400 3.310 30 1 EGEF O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)C(=O)C[C@@H]3O 2356720303 WKZBUIMMEZCWLR-AWEZNQCLSA-N 332.311 3.234 30 1 EGEF N#CC1(C#N)c2c([nH]c3ccccc23)O[C@H]2c3ccccc3C(=O)[C@H]21 231376796 WIXKBVZEUXXNDG-AEFFLSMTSA-N 325.327 3.399 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(Br)c[n+]1[O-] 587911984 ATMWZCMWNJYRFN-UHFFFAOYSA-N 338.588 3.144 30 1 EGEF N#Cc1nc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2nc1C#N 587174293 GMQNFXBQNQEIRH-UHFFFAOYSA-N 337.705 3.037 30 1 EGEF N#Cc1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)s1 587020460 BBRJFJNLJWDKTR-UHFFFAOYSA-N 340.593 3.369 30 1 EGEF O=C1C=CC=C/C1=C\Nn1cnn(Cc2ccccc2Cl)c1=S 13122260 FYIJJXUQQNEQDH-FMIVXFBMSA-N 344.827 3.238 30 3 EGEF O=C(NCCCC/N=C/c1cc(Cl)ccc1O)c1ccccc1O 45392348 LDBKUINTGXLERU-UDWIEESQSA-N 346.814 3.380 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)cn2)N1 587773336 QNQNLTBHBXMEOL-JDNHERCYSA-N 346.203 3.478 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc([C@@](C)(N)C(=O)O)c1 587904331 ITSPOPTXMBEEHC-GOSISDBHSA-N 329.783 3.007 30 1 EGEF C/C(=N\OC[C@@H](O)CNC(C)(C)C)c1ccc(Cl)cc1Cl 169328669 HTFGUCBGQWRUFE-NJDFMEINSA-N 333.259 3.483 30 1 EGEF Cc1cc(=O)c(O)c([C@@H](O)c2ccc(C#Cc3ccccc3)cc2)o1 1857653832 DAPXLAQYQXLSBY-IBGZPJMESA-N 332.355 3.135 30 1 EGEF C=C(C)[C@@H]1C[C@@H]2C(C)(C)C(Br)=C[C@@H](O)[C@]2(C)OCO1 2356554391 WEXKOQISSZMUMG-FMVNMVDZSA-N 331.250 3.380 30 1 EGEF CC=C1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356613640 SNBODTQYFCSFKC-MLNDUNPASA-N 332.484 3.486 30 1 EGEF CN1C(=O)[C@H](CN2CCCCC2)C[C@H]1C#Cc1ccc2occc2c1 38208272 KNSUADXKFTZSIZ-RBUKOAKNSA-N 336.435 3.117 30 1 EGEF N#Cc1nc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2nc1C#N 587061317 VFVSYWCVDRGXMI-UHFFFAOYSA-N 347.725 3.072 30 1 EGEF COC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1C=O 587903468 GOHSAONQWXIDTC-UHFFFAOYSA-N 328.751 3.348 30 1 EGEF COc1ccc(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1OC 587928176 XKJBNPAZTYBCOB-UHFFFAOYSA-N 328.759 3.091 30 1 EGEF CC[C@H](S)[C@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962656669 BSKRMBZLWAFYTR-ZYSHUDEJSA-N 344.480 3.257 30 1 EGEF N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1ccc(OCCO)cc1 200824476 IAABLDFYUTXURN-UHFFFAOYSA-N 348.358 3.085 30 1 EGEF N#Cc1cccc(-c2nc(Nc3ccccn3)sc2-n2cncn2)c1 28523114 SVYGARKLCHDCRO-UHFFFAOYSA-N 345.391 3.401 30 1 EGEF CC[C@H](C)C(=O)O[C@]12O[C@@H]1C[C@]1(C)Cc3occ(C)c3C[C@H]1[C@]2(C)O 2356615682 LKGZPVLMOLNTBC-MPWYEJPJSA-N 348.439 3.148 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)[C@H](C)CC)C=C(C)CCC=C(C)[C@H]2O 2356654264 YTTWVUJVOFNFPP-FMUWMXLXSA-N 348.439 3.089 30 1 EGEF C=C(C)[C@@H]1C[C@@H](OC(=O)C=C(C)C)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C 39049722 RPRWJJHYAIVFEN-LDAIKLSLSA-N 332.440 3.363 30 1 EGEF N#Cc1c(-c2ccc(-c3cncnc3)cc2)nc2ccncc2c1O 73315640 LWTMRJZFKUQMKZ-UHFFFAOYSA-N 325.331 3.331 30 1 EGEF C=CCC(C)(C)c1nc2ccc(S(=O)(=O)NCCCC)cc2[nH]1 587954182 HDYNDEHAYCBBML-UHFFFAOYSA-N 335.473 3.495 30 1 EGEF CC(C)=CC(=O)C[C@](C)(O)[C@@H]1COc2oc3cccc(C)c3c(=O)c21 14883706 SFPSPSPJZWINEJ-VLIAUNLRSA-N 342.391 3.254 30 1 EGEF biogenic CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C 153521192 POQLDVULDKRFNY-ZRNCZNRLSA-N 330.468 3.406 30 1 EGEF C=C(C)[C@H]1CCC2=C[C@@H](OC2=O)[C@H](C(=C)C)C(=O)C=C(C)C(=O)C1 2356490141 YEBDNBDBHUUVGR-GDIGMMSISA-N 328.408 3.491 30 1 EGEF C/C(=N\NC(N)=S)[C@@H](C)Oc1ccc(Oc2ccccc2)cc1 103271218 FDBIGHQUMMMFCF-KZKLBEMASA-N 329.425 3.455 30 1 EGEF C=Cc1ccc2c(c1)NC(=O)/C2=C1\Nc2ccccc2\C1=N/OC(C)=O 100374867 OASGUSWHMPJLBD-LCLDVOFVSA-N 345.358 3.386 30 1 EGEF N#Cc1c(NC(=O)c2cccc(OCCN)c2)sc2c1CCCC2 103264053 SWRRAJGFJLFNTN-UHFFFAOYSA-N 341.436 3.088 30 1 EGEF C[C@@H](CO)NC(=O)CCCC(=O)/C=C/c1ccc2ccccc2c1 64539461 MQJXJQTUPITOHG-PABFRNLHSA-N 325.408 3.089 30 1 EGEF O=C1/C(=C\c2ccc(Br)cc2)S(=O)(=O)c2ccccc21 33317459 YMCMOHCEJKSTGF-NTEUORMPSA-N 349.205 3.460 30 1 EGEF C/C1=C\[C@@H]2OC[C@](C)(O)/C2=C\C[C@@](C)(O)/C=C/C[C@]2(C)O[C@H]2CC1 238789766 MIBUYZPWLCLWSC-IFWLKUEYSA-N 334.456 3.048 30 1 EGEF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=N\O)/C2=N\N 253635413 PZRLBEKSVFUJLE-JOGFNZECSA-N 331.460 3.065 30 1 EGEF CC(=O)/C=C/CCN1C(=O)CN=C(c2ccccc2)c2ccccc21 653899333 BDEXZPXBZBCEFC-VQHVLOKHSA-N 332.403 3.406 30 1 EGEF Cc1ccc([C@@H](C)N=c2c(C(N)=O)c[nH]c3ccc(C#N)cc23)cc1 584904638 STFKVULAQFVZBR-CYBMUJFWSA-N 330.391 3.109 30 1 EGEF in-vitro CS(=O)(=O)c1cccc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c1 586926925 QOPKEBDZQOVCMW-UHFFFAOYSA-N 331.784 3.158 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(O)c1 587882256 RCTFNYWYZIBWQJ-UHFFFAOYSA-N 334.202 3.409 30 1 EGEF CC[C@](O)(CN)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587905702 FKMGHYFMVDBGBM-IBGZPJMESA-N 329.827 3.305 30 1 EGEF O=C1O[C@H]([C@@H](/C=N/c2cc(Cl)ccc2O)[N+](=O)[O-])c2ccccc21 169689134 LKAWNSHHDWHZTM-BDVNTSPJSA-N 346.726 3.305 30 1 EGEF N#Cc1ccc(NCc2cc3cc(Cl)ccc3nc2O)c(O)n1 1857555324 BJRNSMBACDBVMT-UHFFFAOYSA-N 326.743 3.178 30 1 EGEF COc1ccc(OC)c(/C=N/NC(=S)Nc2ccc(C)cc2)c1 1857649797 BQXLKIVEDLDFLZ-WOJGMQOQSA-N 329.425 3.333 30 1 EGEF O=C1CO[C@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1 23592 STDUMDNEHXHPDZ-AWEZNQCLSA-N 329.705 3.480 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)CC(C)=CCC[C@@]1(C)O[C@H]21 2356413546 CTGZTWRVWWXORU-VLAJGBEZSA-N 348.439 3.330 30 1 EGEF CCOC(=O)c1c2cccccc-2c2c(OCC)oc(=O)c(C#N)c12 27715814 DFYSBOCNWBIFDR-UHFFFAOYSA-N 337.331 3.345 30 1 EGEF COc1cccc(/C=C2\CN(CC(=O)O)c3ccc(C)cc3C2=O)c1 103208793 AEDJTESNBADIDT-OQLLNIDSSA-N 337.375 3.175 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=CCC[C@]1(C)O[C@@H]21 2356545134 DWNHGPRUSBRDRF-SUFIHLRJSA-N 346.423 3.250 30 1 EGEF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C[C@@H]4O[C@@]412)[C@@]1(CO1)C3 71296907 LJXZNYIHYUWUED-QVOWGSPCSA-N 346.467 3.473 30 1 EGEF CCCCCC/C=C1/C[C@@](CO)(COC(=O)c2ccccc2)OC1=O 42875755 KUDKUPBDUSGHCZ-MJLBXUHQSA-N 346.423 3.418 30 1 EGEF C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(CC[C@@H]12)C(=O)C1=C(CC3)C(=O)OC1 144782778 IEYINPWMOVCJIM-YSGRDPCXSA-N 344.407 3.190 30 1 EGEF CN=c1scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccco1 263592076 USYLPBAZSHLWLP-JLYOEGMGSA-N 328.353 3.131 30 3 EGEF COc1ccc(/C=N/N2C[C@H](C)O[C@H](C)C2)cc1OC1CCCC1 299830994 NDQMTNKRDQKQQZ-WQWSMTKPSA-N 332.444 3.460 30 1 EGEF C=CCN1C(=O)S[C@H](Cc2nc3ccc(OC(C)C)cc3[nH]2)C1=O 587038507 JXMHNHOJODFSQJ-CQSZACIVSA-N 345.424 3.143 30 1 EGEF CC(C)[C@@]1(O)CC(=O)O[C@H]1C1=C[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O 14501509 QWNXWWLWZFRVOD-UUXHPUJUSA-N 334.456 3.421 30 1 EGEF CCc1nc(C)cn1C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C=C/CC[C@@]1(C)O[C@H]21 169308965 IZORMBINDZROFQ-CXUVVLIPSA-N 344.455 3.199 30 1 EGEF COc1ccc(Cn2cnc3c(-c4ccco4)nc(C#N)nc32)cc1 28877866 VLXRHQQGONXZMM-UHFFFAOYSA-N 331.335 3.015 30 1 EGEF C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C#N)cc4)cc3c21 28902164 ULPNRSRCEALLQP-NSHDSACASA-N 344.374 3.139 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccn2cc(C(=O)O)nc12 587912146 BOWSJJXLENLMGY-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF N#Cc1nc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2nc1C#N 587961725 OIPHXYLVODKCSK-UHFFFAOYSA-N 336.358 3.354 30 1 EGEF C/C=C/COc1ccc(-c2nc(C)c(/C(C)=N/NC(=N)N)s2)cc1 1772648604 GKXVMHKKZJOGQW-KRDWPCQQSA-N 343.456 3.280 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(\CO)CC/C=C(/C)CC/C=C(\C)[C@H]2O 169370694 IAWHPIHHKZYGDC-FHEKNTSDSA-N 332.440 3.221 30 1 EGEF N#C[C@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccnc1 169689700 CMOUYWLZRJFXKV-ZIAGYGMSSA-N 333.326 3.252 30 1 EGEF Cc1nc2c(s1)-c1nc(/N=C3/C=C([N+](=O)[O-])C=CC3)ncc1CC2 103560733 CMWWYSDXIZEJPA-YBFXNURJSA-N 339.380 3.200 30 1 EGEF in-vitro COc1cc2c(cc1OC)-c1n[nH]c(C#Cc3ccc(O)cc3)c1C2 28954388 WVNJNNPNVVLHTC-UHFFFAOYSA-N 332.359 3.104 30 1 EGEF CC1=CC(=O)[C@H]2[C@H]3[C@H]1[C@@]2(C)[C@@H](O)C[C@H](OC(=O)CC(C)C)C3(C)C 2356460409 UGKBIZLCLHQSKU-CFFWPSJKSA-N 334.456 3.133 30 1 EGEF O/N=C(/c1ccc(Oc2ccc3ccccc3c2)nc1)N1CCOCC1 72184965 FYEAWKFCSHRUCS-XDOYNYLZSA-N 349.390 3.495 30 1 EGEF C[C@H](Nc1ncc(C#N)c(OC[C@H]2CCCCO2)n1)c1ccccc1 40410801 LUTZKGPIPXGJOV-WMLDXEAASA-N 338.411 3.469 30 1 EGEF Cc1ccc2c3c(ccc2c1C)C(=O)C1=C(OC[C@@H](C)[C@@H]1CO)C3=O 137467274 VTSFLCVRCKVBCB-BZNIZROVSA-N 336.387 3.365 30 1 EGEF O=C(CCS)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657652 CKRBNTMNCWSCNQ-UHFFFAOYSA-N 346.358 3.302 30 1 EGEF CCCc1[nH]nc2c1[C@H](c1ccc(OC)cc1OC)[C@@H](C#N)C(=N)O2 169690874 QSAQGZDQKGTMRL-IUODEOHRSA-N 340.383 3.021 30 1 EGEF CCC/C(=N\OCC)C1C(=O)CC([C@H]2CCCSC2)CC1=O 169717741 GOJRHLKLWMSXMB-QTNFOGCQSA-N 325.474 3.487 30 1 EGEF CCCCCC=CC[C@]1(O)C=CC(=O)C1=CC=C[C@H](O)CCC(=O)O 2356838922 MEOINZQEJRNAIG-JXFKEZNVSA-N 348.439 3.091 30 1 EGEF CN1CCC2=C3C1=CC(=NC=Cc1ccc(O)cc1)C(O)=C3N(C)C2 2356841072 NEJQTEOFVWMQQI-UHFFFAOYSA-N 335.407 3.049 30 1 EGEF C#CCNC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccccc12 299827994 PZIBGEDQFBLDIC-UHFFFAOYSA-N 336.778 3.187 30 1 EGEF C=CCOc1nc([C@@](C)(O)c2ccc(OC)cc2)c2ccccc2n1 299856788 CCSAUJZQXDFATL-FQEVSTJZSA-N 336.391 3.459 30 1 EGEF O=C1Cc2cc(C#CCN3CCC(Cc4ccccc4)CC3)ccc2N1 13813191 LYIUKQISXUHOKK-UHFFFAOYSA-N 344.458 3.487 30 1 EGEF C=C1CCC=C(C)C[C@@H]2OC(=O)C(=C)[C@H]2CC=C(CO)CC[C@@H]1O 2356428215 BNELYNVRKNPZHR-QYZOEREBSA-N 332.440 3.221 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)C)CC(C)=CCC[C@]1(C)O[C@@H]21 2356386672 RNMWXCRWDPPZDF-RFSOPEBBSA-N 346.423 3.250 30 1 EGEF CCOC(=O)c1c(N/C=C2\C=C([N+](=O)[O-])C=CC2=O)sc(C)c1C 104027374 WDLCTQZYOBTLRZ-DHZHZOJOSA-N 348.380 3.137 30 3 EGEF C=C1C(=O)[C@@]23C[C@H]1CC=C2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@H](O)C3 2356815527 CSODFCSZYDJPLH-IGWRLNFKSA-N 330.424 3.110 30 1 EGEF C=C[C@]1(C)CC2=C(O)C(=O)[C@]34O[C@]3(CCCC4(C)C)[C@]2(C)[C@@H](O)C1 238781306 RYOGLUPEMNUZFR-MMCWTAFCSA-N 332.440 3.452 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])ccc1C(=O)O 587901887 YJWNSVAKIZVWHI-UHFFFAOYSA-N 331.711 3.355 30 1 EGEF C=C(C)CC[C@@]1(c2ccnn2C)NCCc2c1c(C(C)C)nn2C 962914345 FNGYCQLLOZZQBJ-IBGZPJMESA-N 327.476 3.023 30 1 EGEF N#Cc1ccc(-c2ccc(OCCCN3CCC(N)CC3)cc2)cc1 13859990 GRJGKRWJSKONHR-UHFFFAOYSA-N 335.451 3.417 30 1 EGEF Cc1ccc(C(=O)C=Cc2cc(C(=O)O)cc3c2OCOC3)c(O)c1 2356446708 OZOKEJHZINVWBM-UHFFFAOYSA-N 340.331 3.161 30 1 EGEF Cc1ccc(-c2[nH]c(N3CCc4ccccc4C3)nc(=O)c2C#N)cc1 3649633 WERBMBVFUKUWBT-UHFFFAOYSA-N 342.402 3.180 30 1 EGEF COc1ccc2sc(/C(O)=N/c3nn[nH]n3)c(OC(C)(C)C)c2c1 28014620 ZECFSCXXABUKRF-UHFFFAOYSA-N 347.400 3.237 30 1 EGEF NC(=S)N/N=C(\c1ccccc1)c1cccc(Br)c1 36178646 WXJCIRAGCWQLAC-GHRIWEEISA-N 334.242 3.035 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)ccc1C=O 587903284 BRBGWUIIKFPKRM-UHFFFAOYSA-N 328.751 3.348 30 1 EGEF C=CCNC(=O)[C@@]12C[C@@]1(CCCC)c1cc(Cl)ccc1NC2=O 101052140 NAJDLTVBVFOJIO-ZWKOTPCHSA-N 332.831 3.412 30 1 EGEF C=C1CCC=C(C)CC[C@@H]2C(=CCC=C(CO)CO)COC(=O)[C@H]12 2356650549 JOKXSQBLJTXDIX-RTBURBONSA-N 332.440 3.080 30 1 EGEF CO[C@H]1CO[C@@]2(O)C(=O)C3=C(CCCC3(C)C)c3ccc(C)c1c32 2356717257 LOILOFQMQHVTFF-VBKZILBWSA-N 328.408 3.404 30 1 EGEF CC1=C2C(=O)C3=C([C@H](O)[C@@H]2OC1=O)[C@]1(C)CCCC(C)(C)[C@@H]1CC3 2356852596 QRIJKODYPMIMSS-VDESFZGPSA-N 330.424 3.095 30 1 EGEF C=CC[C@]1([C@@H](C)Cc2ccc(O)c(OC)c2)C=C2OCOC2=CC1=O 13311457 UXNVRYGLQIBWDQ-RNODOKPDSA-N 342.391 3.497 30 1 EGEF biogenic COCCN/C(=N\O)c1ccnc(Oc2cccc(C(C)C)c2)c1 72181343 GFHWHVJFUPOTCI-UHFFFAOYSA-N 329.400 3.369 30 1 EGEF N#Cc1ccc(Nc2nccc(/C(=N\O)c3cccc(F)c3)n2)cc1 49110108 CBCQPVSYJKZTDV-ULJHMMPZSA-N 333.326 3.458 30 1 EGEF CC(=O)NC(=O)[C@@H]1C=C2C=CC=C[C@H]2O/C1=N\c1ccc(Cl)cc1 95803160 XGROSMBMTONSEV-FOQCPVEISA-N 342.782 3.100 30 1 EGEF CC(C)(C)[C@H]1CCc2ncc3c(c2C1)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1O2 299846711 FZRDZIDWQZOZAG-COLVAYQJSA-N 337.419 3.469 30 1 EGEF C=CCCn1cc(-c2cccc(C(=O)N(C)C)c2)c2cc[nH]c2c1=O 584905321 VNCNIMOILJQAGJ-UHFFFAOYSA-N 335.407 3.275 30 1 EGEF in-vitro CCCC[C@H](CC(=O)NO)[S@@](=O)c1ccc(Br)cc1 13808961 SPLASNJPKRQCNT-CWTRNNRKSA-N 348.262 3.011 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C/CC/C(C)=C\[C@H](O)C[C@H]2C 17025380 GQTPRLWQZDUWKJ-LIIZJJHISA-N 334.456 3.299 30 1 EGEF CC1=C[C@@]2(O)C(=O)[C@@H](C)CCC(C)(C)[C@H]3CC[C@@](C)(C=C2C1=O)O3 2356420499 DIFCOVWODQVBLT-QWPTUXCFSA-N 332.440 3.136 30 1 EGEF COc1ccc(-c2nc(Nc3ccc(F)cc3)[nH]c(=O)c2C#N)cc1 3649584 LFLUHPUXCQBECX-UHFFFAOYSA-N 336.326 3.200 30 1 EGEF CC(=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@H](O)CC3)CO 2356588163 KOATXBNOVXBDJE-JPCHKZQCSA-N 346.467 3.445 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 85854290 QXVGANVELOYXEZ-KRMXOFRFSA-N 346.423 3.011 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C/C[C@H](O)/C(C)=C/CC[C@]3(C)O[C@H]3C[C@H]12 199203716 YCCCRENEMRGDOO-DLMFWVQSSA-N 332.440 3.459 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)CC(C)C)[C@H]12 238749873 MNHSQYVNGHDFEY-OWGXCHQZSA-N 348.439 3.089 30 1 EGEF C=C1C(=O)O[C@H]2C[C@]3(C)O[C@@H]3CC/C(C)=C/[C@H](OC(=O)/C(C)=C/C)[C@H]12 238789505 DTOFRQNTRKNUMY-RTIXCMFCSA-N 346.423 3.250 30 1 EGEF N#Cc1nc(Cl)cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 587171582 OYLNFROTEBGJQQ-UHFFFAOYSA-N 344.733 3.079 30 1 EGEF COC(=O)c1cc2[nH]c(-c3ccc(C#N)c(F)c3)nc2cc1OC 587143255 OJSAXYFPMYRNDI-UHFFFAOYSA-N 325.299 3.036 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(C(=O)O)cc1F 587915908 VELABJIHGJAVFW-UHFFFAOYSA-N 349.701 3.494 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C=O)cc([N+](=O)[O-])c1O 587899884 IRIPYSBDTTWAFL-UHFFFAOYSA-N 331.711 3.175 30 1 EGEF C[C@@H]1CC=C(NN=C2SCC(=O)N2CC(=O)c2ccccc2)CC1 957871438 WIAMULALCDGQKU-CYBMUJFWSA-N 343.452 3.009 30 1 EGEF CC(=O)c1sc(NN/C=C2\C(=O)C=Cc3ccccc32)nc1C 13123101 BGADWWVBBYSOGZ-ZROIWOOFSA-N 325.393 3.208 30 3 EGEF C[C@@H]1CN(/C(S)=N/N[C@H](C)c2nccc3ccccc23)C[C@@H](C)O1 27983499 BLJOMYNVSNUVKA-MGPQQGTHSA-N 344.484 3.195 30 1 EGEF C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 71757620 QQRSSHFHXYSOMF-WLKSBDNNSA-N 346.423 3.140 30 1 EGEF C[C@H](C=O)Cc1cc(O)c(O)c(Br)c1Br 13450178 SOFAADXWRQBUDW-YFKPBYRVSA-N 337.995 3.000 30 1 EGEF biogenic CCCCCCCCCCCCC[C@@H](O)CC(=O)OC(CO)CO 238755088 YHYWNEBXLDWAGK-QGZVFWFLSA-N 346.508 3.335 30 1 EGEF CCOC1=C(N(CC)Cc2cccnc2)C(=O)c2ccccc2C1=O 96934156 QMBKUAMWXNXYGG-UHFFFAOYSA-N 336.391 3.231 30 1 EGEF CCOC(=O)/C=C1\Oc2cc(O)c(-c3ccc(F)cc3)cc2C1=O 1772656509 FSTRHKHJVFRMTO-SXGWCWSVSA-N 328.295 3.220 30 1 EGEF CCOc1ccc(C#Cc2ccc([C@H](C)NC(=O)[C@@H](C)O)cc2)cc1 169706265 WNFSSHPMPIQPIE-JKSUJKDBSA-N 337.419 3.043 30 1 EGEF C[C@@H]1[C@@H]2CC=C3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32[C@@H](O)N1C 2356382311 VZECFJJIDYGXAI-RKIXBIESSA-N 339.479 3.463 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)/C(=C\C)CO)[C@@H]12 103554542 LQAWDKQOLJURMN-DUROQTLYSA-N 346.423 3.011 30 1 EGEF biogenic,in-vitro O=C(O)C1=C(Nc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 102987582 JGPXTWIWPMGWTL-UHFFFAOYSA-N 327.723 3.170 30 1 EGEF C=C(C)[C@@H]1C[C@@H]2C(C)(C)C(Br)=C[C@H](O)[C@@]2(C)OCO1 2356554394 WEXKOQISSZMUMG-WJNVRWDZSA-N 331.250 3.380 30 1 EGEF C=C[C@]1(C)CC(=NO)C2=C(C(=O)C(O)=C3C(C)(C)CC=C[C@@]23C)[C@@H]1O 2356738847 CZOCSKKTVSNAHB-SXLOBPIMSA-N 343.423 3.457 30 1 EGEF C=CCn1c(SCCO)nc2c(c1=O)C(C)(C)Cc1ccccc1-2 95601792 AOHCMZRPMQFQST-UHFFFAOYSA-N 342.464 3.014 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C/CC/C(C)=C/[C@@H](O)C[C@@H]2C 299877042 GQTPRLWQZDUWKJ-RRCATFFESA-N 334.456 3.299 30 1 EGEF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H](O)c1ccoc1 299863520 PIHPERXLEMONET-JIFZMYKYSA-N 334.456 3.445 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(OC)cc1N 587900480 QAZZHWLQIKXGRM-UHFFFAOYSA-N 345.782 3.126 30 1 EGEF N#Cc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1C#N 587044462 XLVMNOGGGQYEOS-UHFFFAOYSA-N 331.360 3.017 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)N(C)CC(=O)N2 587908779 IZEPSBRZGXYWRO-UHFFFAOYSA-N 326.783 3.137 30 1 EGEF CCCCCCCC(=O)NCCCc1nc2cncc([N+](=O)[O-])c2[nH]1 587228872 ZPASHKAIXSHRGP-UHFFFAOYSA-N 347.419 3.275 30 1 EGEF C[C@H](CCc1nc2cc(C#N)cc(Br)c2[nH]1)CC(=O)O 587961846 ZLDCUZRGUAFYRK-MRVPVSSYSA-N 336.189 3.240 30 1 EGEF Sc1nnc(COc2ccccc2)n1/N=C\C=C\c1ccco1 15986314 VXVVMRDWWQCBQD-KCTVJHQVSA-N 326.381 3.286 30 1 EGEF CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O 169373430 LRKPGEPWOYCDIU-AVKVQGFBSA-N 346.467 3.293 30 1 EGEF C=C[C@H]1C(C)(C)C(=O)[C@H]2C[C@]1(C)[C@H]1[C@@H]3OC(=O)/C(=C/C)[C@@H]3O[C@@]21C 169655344 WYOPVCJAKMHFLL-GTKSYSQHSA-N 330.424 3.069 30 1 EGEF N#Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCCCC2)o1 28960969 WMOKHNFMRKSIOH-UHFFFAOYSA-N 339.351 3.092 30 1 EGEF O=C1Nc2ccccc2C1=C1Nc2cc(Br)ccc2C1=O 2356459241 DELRXTMEZKHWMU-UHFFFAOYSA-N 341.164 3.421 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1CCC(C)=CC[C@H](OC(=O)CC(C)C)[C@@]1(C)O[C@H]21 2356474144 FFCNNRVCNZPRLJ-XXECKMAJSA-N 348.439 3.330 30 1 EGEF CCCCCN/C(N)=N/N=C/c1c[nH]c2ccc(OC(C)C)cc12 13741854 BAEVWIQCZILKBE-WSDLNYQXSA-N 329.448 3.384 30 1 EGEF C=C1C(=O)O[C@@H]2[C@H](OC(=O)[C@H](C)CC)C(C)=CCCC(C)=C[C@@H](O)[C@@H]12 2356454200 BZZWFLKOMFMSRX-YXWSMURKSA-N 348.439 3.089 30 1 EGEF CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H](O)OC1=O 64560792 AJJYJDWULCXJIR-JPWFWGLDSA-N 330.424 3.322 30 1 EGEF C=C1C[C@@]23CC[C@@]1(O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 2356574661 HXWVTJWDIUTHPK-GEBZKKLFSA-N 348.439 3.076 30 1 EGEF O=C1c2ccccc2C(=O)N1[C@H]1C=C(C#Cc2ccccn2)CCC1 95607704 AJBNCPAXQVKUKD-QGZVFWFLSA-N 328.371 3.208 30 1 EGEF C=CCN1C(=O)S[C@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)C1=O 587038424 HRYYECNNCNDKDK-LLVKDONJSA-N 344.440 3.048 30 1 EGEF CCOC1=C(OCC)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587525698 QZARIGGIUDLZOZ-HXUWFJFHSA-N 342.391 3.137 30 1 EGEF COC(=O)c1cc(C#N)cc(C#Cc2cc(Cl)ccc2OC)c1 587901929 AKYIWUCRVNGSES-UHFFFAOYSA-N 325.751 3.407 30 1 EGEF O=C1C=CC(=Nc2nc(O)c(-c3c(O)[nH]c4ccccc34)s2)C=C1 5093430 WCULIEIRSKSHDQ-UHFFFAOYSA-N 337.360 3.470 30 1 EGEF O=C1O[C@H]([C@H](/C=N/c2cc(Cl)ccc2O)[N+](=O)[O-])c2ccccc21 169689136 LKAWNSHHDWHZTM-CNZGHACPSA-N 346.726 3.305 30 1 EGEF CC1=C(Cl)C(O)=CC(=O)[C@]12Oc1cc(O)c(Cl)c(C)c1C2=O 3979048 SLAVHURDNZJSIH-OAHLLOKOSA-N 341.146 3.205 30 1 EGEF in-vitro C[C@@H]1[C@@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32CN1C 2356387045 FNCKOVJIJVZKHE-GOMVOUAHSA-N 341.495 3.195 30 1 EGEF Cc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc2[nH]c(O)nc2c1 101944547 XGOKWSHFOHNKKP-VXLYETTFSA-N 333.351 3.219 30 1 EGEF COc1ccc(/C=C2\Oc3cc(OC)c(O)c(OC)c3C2=O)cc1 59775186 SDBGODOJRLLNSU-ZSOIEALJSA-N 328.320 3.034 30 1 EGEF CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(OC(C)C)c2)cc1 113411420 FUKCCWKQJCMRFD-INIZCTEOSA-N 336.435 3.336 30 1 EGEF CCOC(=O)[C@]1(O)C[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)O1 49803572 MYWNHTJAAOYSEQ-XOBRGWDASA-N 344.407 3.085 30 1 EGEF CCCC(=O)c1cccc(N=C2NC(=N)NC3(CCCCC3)N2)c1 653708022 KLNQRDTZTYDDCI-UHFFFAOYSA-N 327.432 3.034 30 1 EGEF N#Cc1ccc(OCc2nc3c(F)cnc(Br)c3[nH]2)cc1 587189641 DUSNREYMLQGYHQ-UHFFFAOYSA-N 347.147 3.310 30 1 EGEF CCNC(=O)Cc1ccccc1C#Cc1cc(Cl)ccc1OC 587901777 SACQYMWZJJOKJF-UHFFFAOYSA-N 327.811 3.427 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CC[C@H](O)C(C)=CCC[C@]3(C)O[C@@H]3C[C@@H]12 2356713079 YCCCRENEMRGDOO-IPLXSBJHSA-N 332.440 3.459 30 1 EGEF C=C(C)C(=O)CCC(=CCOc1cc(=O)oc2cccc(C)c12)CO 2356764956 CFZQQIFAPMIZJD-UHFFFAOYSA-N 342.391 3.324 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC[C@]3(C)O[C@H]3CCC(CO)=CC[C@H]12 2356805686 VJTZEEQKGARIJX-XSYGEPLQSA-N 332.440 3.461 30 1 EGEF CCCCCCCCS(=O)(=O)NCc1ccc(O)c(OC)c1 38157249 OFIAVAVELIPYSE-UHFFFAOYSA-N 329.462 3.181 30 1 EGEF C=CCn1cc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2n1 95562574 ZFXFQDNGTQWRAK-UHFFFAOYSA-N 327.409 3.332 30 1 EGEF C=C1C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@H]15 238736611 VSYXNSKUYBOAQW-NIMZPVHJSA-N 339.479 3.395 30 1 EGEF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 255271293 UFSKYLAIGDMNQE-TVWVXWENSA-N 344.451 3.197 30 1 EGEF C[C@H](Oc1ccc2ccccc2c1)c1nc2nc(C#N)c(C#N)nc2[nH]1 587952043 XJKAJCVQTTUOMG-NSHDSACASA-N 340.346 3.389 30 1 EGEF CC1(C)Oc2ccc(C#N)cc2[C@H](N(CC#N)c2ccccc2)[C@H]1O 13605170 ZUURFJXDHNPYAB-RBUKOAKNSA-N 333.391 3.161 30 1 EGEF C[C@H]1O[C@](C#CC2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O 6487782 CXFITMZADXBGRR-PSLIRLAXSA-N 327.277 3.354 30 1 EGEF COc1c(C)c(O)c(/C(O)=C/C(=O)c2ccccc2)c(O)c1C=O 101226052 NDXOLILIMMVXLG-ZSOIEALJSA-N 328.320 3.009 30 1 EGEF CC(C)C[C@@H](C(=O)NCC#N)c1csc(Nc2ccncc2)n1 59701989 OMEPTNAQJBGJGI-CYBMUJFWSA-N 329.429 3.051 30 1 EGEF CC(C)(C)OC(=O)N[C@@H](CCCCS)C(=O)NC1CCCC1 64573669 NKPGDCQUZKFNHD-ZDUSSCGKSA-N 330.494 3.039 30 1 EGEF CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)C3CC3)cc2)cn1 113409677 OJDMZEGMKXBHMS-INIZCTEOSA-N 348.446 3.337 30 1 EGEF COc1cc(OC)c(/C=C2\Oc3cccc(O)c3C2=O)c(OC)c1 72106666 FMSHJXCFSGFXRE-SXGWCWSVSA-N 328.320 3.034 30 1 EGEF N#Cc1ccc(C(=O)c2c(Cl)ccc([C@H](N)C3CC3)c2F)nc1 1772653779 YKCLWKRSPHJIOI-MRXNPFEDSA-N 329.762 3.387 30 1 EGEF COc1cccc([C@@H]2NC(=S)N(C)C3=C2C(=O)c2ccccc23)c1 68152225 XYGCJFPIVHXCSK-INIZCTEOSA-N 336.416 3.164 30 1 EGEF C=C(C)[C@H]1C[C@]2(C)[C@@H](C)C[C@H](O)C[C@H]2[C@H](OC(=O)C=C(C)C)[C@@H]1O 36374469 JGLTUIDSFQWPBH-XVLAHQNTSA-N 336.472 3.235 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2[nH]nc(CC(=O)O)c2c1 587907789 VBXWHVYXQAUZTM-UHFFFAOYSA-N 340.766 3.252 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C)c(S(N)(=O)=O)cc1C 587918416 QSPJFYBRAVJORL-UHFFFAOYSA-N 349.839 3.013 30 1 EGEF O=C1NC(=O)[C@H](Cc2ccc(C(=O)/C=C/c3ccccc3)cc2)S1 13887475 AVPFVBQJFBSPIS-YRYLYKBFSA-N 337.400 3.477 30 1 EGEF CCC[C@@H]1C(C(=O)OCc2ccccn2)=C(C)NC2=C1C(=O)CCC2 1857765227 LALBGJHBQGDHRD-OAHLLOKOSA-N 340.423 3.425 30 1 EGEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1O 2356336185 HYOANESYDNMXHG-OIMSXUDKSA-N 334.456 3.338 30 1 EGEF Cc1ncsc1CCN(C)/C(O)=N/c1nc(C2CCCCC2)n[nH]1 23581413 FZOFNXQYXZSNCZ-UHFFFAOYSA-N 348.476 3.337 30 1 EGEF CC=C1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356639014 AGSIHXUUMSXXHC-WZZPTPLPSA-N 332.484 3.486 30 1 EGEF C=C1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@]5(C)C(=O)O[C@H]([C@@H]54)[C@H](O)[C@@]3(C2)[C@H]1F 2356709456 FIJZLOOHEQMRJW-GHATWAMYSA-N 334.431 3.410 30 1 EGEF O=C1c2ccc(C#Cc3ccccn3)nc2CCN1C1CCCCC1 71334957 PWPAPLLPWDVVQX-UHFFFAOYSA-N 331.419 3.207 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cn2cc(C(=O)O)nc2s1 587920184 DDVXNNCXKJCNNV-UHFFFAOYSA-N 332.768 3.156 30 1 EGEF COc1cc(/C=C/C(=O)c2nc(O)c3ccccc3n2)cc(OC)c1 1857607109 NIHPGMJRECLZEB-BQYQJAHWSA-N 336.347 3.249 30 1 EGEF CC(C)/N=c1\scc(-c2ccco2)n1N/C=C1/C=CC(=O)C(O)=C1 100453099 CFAFOEFMVYCTLW-UADDFFMOSA-N 343.408 3.127 30 1 EGEF CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@H]2/C=C(\C)CCC=C(C)C)C1 59064511 PXCPYWFVMWHLIE-CLAHESPHSA-N 346.423 3.442 30 1 EGEF C=C1C[C@H](CC(C)=CCOc2ccc3ccc(=O)oc3c2)OC1=O 2356605383 DSQRNJDVDUJXJO-INIZCTEOSA-N 326.348 3.380 30 1 EGEF C=C1CC[C@]2(O)C(=C)CO[C@@H]2C=C(C)CC[C@@H](O)[C@@]2(C)CC[C@H]1O2 2356695537 LJAXIDCBOWLLHK-WAPOTWQKSA-N 334.456 3.048 30 1 EGEF C#C[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)c4cc(OC)ccc4[C@H]3CC[C@]21C 2356782731 KEBORPGMLOMTJD-JXYJOFSCSA-N 326.436 3.407 30 1 EGEF O=C(/C=C/CCc1ccc(O)c(O)c1)/C=C/c1ccc(O)c(O)c1 95603585 BQXWNGCLBOSNPN-MSGXFJBMSA-N 326.348 3.280 30 1 EGEF COc1cc2c(cc1OC)[C@](CC#N)(c1ccco1)N(C)[C@@H](C)C2 962634804 LUZWFTPYOMCBQI-ORAYPTAESA-N 326.396 3.330 30 1 EGEF Cc1cccc([C@H]2CC[C@]3(C)[C@@H](/C=N/OCCN)CC[C@]3(O)C2)c1 13471880 JSLYBMALUCUNAD-WVFPDTRMSA-N 330.472 3.371 30 1 EGEF O=C1C2=C(c3ccccc31)[C@@H](c1ccc(Cl)cc1)NC(=S)N2 17211124 JQSKACAPLXGGCU-CQSZACIVSA-N 326.808 3.466 30 1 EGEF CCCCCCCC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(C)=O)[C@@H](C1)N2C 169351162 GEBXVKMFYZIRIJ-YYIAUSFCSA-N 325.449 3.057 30 1 EGEF CC(=O)N1CCN([C@@H]2/C(=C\c3ccccc3)C(=O)c3ccccc32)CC1 1857613813 BSCDQHWJFPKASI-MEPUESOJSA-N 346.430 3.172 30 1 EGEF COC(=O)[C@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@@H]1C 29571215 CTZZWWNXWHPDSK-LKFCYVNXSA-N 327.302 3.399 30 1 EGEF Cn1cnc(-c2c(-c3ccccc3)c3cc(C#N)ccc3[nH]c2=O)c1 29126486 GGXQPHJRIPPTEA-UHFFFAOYSA-N 326.359 3.467 30 1 EGEF CC(=O)C1=CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C 2356549194 UYGZZVKOVWATFR-MLYQTUFZSA-N 326.436 3.390 30 1 EGEF O=C(O)CCCCCCNC(=O)[C@@]1(CS)CCc2ccccc2C1 26175398 DYGXRRYDCDLZTH-IBGZPJMESA-N 349.496 3.243 30 1 EGEF CC1=C2C(=O)c3ccccc3C(=O)[C@H]2C[C@@H](N2CCCCCC2=O)O1 73294500 RXRDFYUMBDLZGP-RDJZCZTQSA-N 339.391 3.105 30 1 EGEF CCC[C@@H]1O[C@H](CC(=O)OCC)CC2=C1C(=O)c1ccccc1C2=O 40950553 QCFZGWKSMCXHJW-LRDDRELGSA-N 342.391 3.273 30 1 EGEF O=C(NCCC/N=C/c1c(O)ccc2ccccc12)c1ccccc1O 45348377 JIUIACSGSABLKO-HYARGMPZSA-N 348.402 3.490 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)CC(C)=CCCC(C)=C[C@H](O)C[C@H]2C 254010622 GQTPRLWQZDUWKJ-QTUASDBPSA-N 334.456 3.299 30 3 EGEF COC(=O)Cc1ccc(OC)c(C#Cc2cc(Cl)ccc2OC)c1 587901339 ZOTQOQUMSNLNCQ-UHFFFAOYSA-N 344.794 3.473 30 1 EGEF O=C(Nc1ccccc1C(F)(F)F)C1=C/C(=C2/C=CC=CC2=O)ON1 103744712 VTHDSQDQUQRCNW-XNTDXEJSSA-N 348.280 3.012 30 3 EGEF CC1=CCC[C@](C)(O)C=C[C@](O)(C(C)(C)O)CC[C@@]2(C)O[C@@H]2CC1 2356797467 NZAOFLDYDBJCSL-GSEOLPGOSA-N 338.488 3.254 30 1 EGEF CCCCN(C)C(=O)c1sc(=O)n(Cc2ccccc2C#N)c1C 61929385 PQVYWXCRAMTGMB-UHFFFAOYSA-N 343.452 3.010 30 3 EGEF N#CC1(n2cc([C@@H](NC(=O)C3CCCC3)C3CCCCC3)nn2)CC1 95564252 BAJBTVRWMDVFAE-KRWDZBQOSA-N 341.459 3.219 30 1 EGEF CC(C)(C)C(=O)N[C@H](C(=O)NO)c1ccc(-c2cccc(F)c2)cc1 653794402 KGTUZYZLZHMVNW-INIZCTEOSA-N 344.386 3.202 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(Br)[n+]([O-])c1 587912121 GUBYLRYJAMLSMY-UHFFFAOYSA-N 338.588 3.144 30 1 EGEF N#Cc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1C#N 587177806 ANOFSUKUAXUWTF-UHFFFAOYSA-N 342.131 3.270 30 1 EGEF N/C(=N\c1ccc(C(=O)O)cc1)N1Cc2cccc3c2[C@@H](CCC3)C1 101745407 YBRWEQVIFARZHY-INIZCTEOSA-N 335.407 3.267 30 1 EGEF C=C(CCC=C1C[C@@H](C=C(C)C)OC1=O)[C@H](O)CCC1=CC(=O)OC1 2356536704 QSKKGQVXKWAQQS-QZTJIDSGSA-N 346.423 3.155 30 1 EGEF CC(=CCO)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@@H](C)[C@@]13C 2356780728 GEHSMLAJCBNTPU-RPELPBHHSA-N 346.423 3.241 30 1 EGEF CCCCCCCCCCNC(=O)[C@H]1[C@H](C(=O)O)[C@@H]2CC[C@H]1O2 71335020 SXUCYJGHMYLLJJ-QKPAOTATSA-N 325.449 3.122 30 1 EGEF CCOC(=O)[C@@H]1CCC(Nc2cccc(OC(F)(F)F)c2)=CC1=O 40979441 NRYKQKKHSQDBGB-CYBMUJFWSA-N 343.301 3.423 30 1 EGEF C(=N\N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1ccccc1 12733455 YTQVYDMKDOFJLD-QNGOZBTKSA-N 332.407 3.205 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)[C@H](C)CC)[C@H](O)[C@H]12 2356505873 SKCXSNIQFDWWOF-YXWSMURKSA-N 348.439 3.089 30 1 EGEF CC1(C)Oc2c(c(O)cc(O)c2C(=O)C=Cc2ccccc2)C[C@@H]1O 2356726441 LDJZZJAEURDRFN-KRWDZBQOSA-N 340.375 3.068 30 1 EGEF C[C@@]1(CCCC=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600593 BKAXAZRXXASCNL-LPHOPBHVSA-N 326.348 3.482 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(NC(C)=O)cc(C(=O)O)c1 587904451 MJLNEJUKICLKIY-UHFFFAOYSA-N 343.766 3.405 30 1 EGEF Cc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1C#N 587187731 JSFWYXIBAVXPTE-UHFFFAOYSA-N 332.407 3.242 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2c([N+](=O)[O-])cccn12 587912509 QQWMRHMFWUVPGU-UHFFFAOYSA-N 327.727 3.304 30 1 EGEF Cn1cncc1-c1cn(Cc2ccc(C(=O)NO)cc2)c2ccccc12 1857593320 ANMZNMDSWZJYNP-UHFFFAOYSA-N 346.390 3.209 30 1 EGEF CCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 2290247 YPXYMOSBZGQIMQ-TXPKVOOTSA-N 326.501 3.247 30 1 EGEF N=C(N)c1ccc(/C=C2/CC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1 13803379 MGAQOPOKKIOCCX-MJZABRMRSA-N 344.418 3.085 30 1 EGEF CCCc1[nH]nc2c1[C@H](c1cc(OC)ccc1F)[C@@H](C#N)C(=N)O2 169691122 NJGQDGIEJBAXFV-BXUZGUMPSA-N 328.347 3.151 30 1 EGEF CO/N=C/CCC(F)(F)c1ccc([C@H](C)[S@](C)(=O)=NC#N)cn1 103199359 ZEFPWRSXVTWVRD-LEUCORSMSA-N 344.387 3.226 30 1 EGEF CCN(O)C(=O)[C@@H](C)c1ccc2c(c1)C(=O)c1ccccc1CO2 26566369 LAPRGOHDURHJCE-LBPRGKRZSA-N 325.364 3.151 30 1 EGEF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@@H](O)C#Cc1ccccc1Cl 28460598 POEFRLVIEBJOCQ-IMFGXOCKSA-N 339.822 3.067 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3C[C@H](O)C(C)=CCCC(C)=CC[C@@H]12 2356674231 ZRITUCVRNQEAPN-IPLXSBJHSA-N 332.440 3.459 30 1 EGEF COC(=O)CCCCC/C=C\C=C/C#CC#C/C=C/COC(C)=O 238785316 VOPPYPDHFHINPK-RNNWCHJNSA-N 328.408 3.348 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)cn2)N1 587773616 RATOMJGOHLQFRB-FVMDXXJSSA-N 346.203 3.478 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)cn2)N1 587773334 QNQNLTBHBXMEOL-ABKXIKBNSA-N 346.203 3.478 30 1 EGEF COc1cc(/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1 1772628969 JMMLNWTXWWEMPV-YBFXNURJSA-N 331.368 3.480 30 1 EGEF COCOc1cc(OC)ccc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 8860548 FWWOBXXUALDLAJ-BJMVGYQFSA-N 343.335 3.482 30 1 EGEF C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO)[C@H]1CCC1=CCOC1=O 2356498328 ROPZFDGMJDAXOR-FVCZOJIISA-N 332.440 3.200 30 1 EGEF CCN(CCC#N)Cc1coc(-c2cc(OC)c(OC)c(OC)c2)n1 72183719 JPUBJKFFGJTCGN-UHFFFAOYSA-N 345.399 3.103 30 1 EGEF C/C(COc1ccccc1)=N\N=C1/NC(=O)[C@@H](c2ccccc2)S1 95579331 VSXRHTSLIGNCLO-RBYWHNRPSA-N 339.420 3.402 30 1 EGEF C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=CC(=O)O[C@H]1O 473124748 OXOZFUWMJVKNFD-XCHKZZJKSA-N 334.456 3.338 30 1 EGEF N#Cc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586983553 CZPWAWSRWUIDQB-CYBMUJFWSA-N 341.212 3.440 30 1 EGEF C=C(CN1CCOCC1)C(=O)c1ccc(OCc2ccccc2)cc1 13741922 FUKZQOIBPXLDAJ-UHFFFAOYSA-N 337.419 3.337 30 1 EGEF CN/C(C)=N/c1ccc2c(c1)C(=O)c1ccc(/N=C(\C)NC)cc1C2=O 169324863 QAGMRERNBXJDLN-UHFFFAOYSA-N 348.406 3.001 30 1 EGEF C=C(C)[C@@H]1C[C@@H]2C(C)(C)C(Br)=C[C@@H](O)[C@@]2(C)OCO1 2356554392 WEXKOQISSZMUMG-MDHDOXDCSA-N 331.250 3.380 30 1 EGEF COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2CC#CCF 62178999 UTLIGDFWNZZYCH-MANSERQUSA-N 329.415 3.077 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H](O)/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238780300 ZYKRXWIPMUJNME-UXRJUADNSA-N 346.423 3.010 30 1 EGEF COc1cccc([C@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587429985 XZQPONRCJBTALY-UZLBHIALSA-N 335.359 3.260 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1CNC1COC1 587901751 QIPKDTSNQIUFHX-UHFFFAOYSA-N 327.811 3.237 30 1 EGEF COC1=CC(=O)/C(=C(\C)NNc2ncc(Cl)cc2Cl)C=C1 103821983 JHZQBOBPWIHITP-DHZHZOJOSA-N 326.183 3.248 30 3 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C(=O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 100780440 FKDIIXZIKCNXAT-XXGVJVJDSA-N 344.407 3.218 30 1 EGEF endogenous,in-man Cc1cc(O)nc(SCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C#N 101952902 YGTZTYURKUODOD-DGAVXFQQSA-N 345.468 3.000 30 1 EGEF Fc1ccc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)cc1 26260765 WXZHKVLOSBCWDY-LSHDLFTRSA-N 332.342 3.401 30 1 EGEF C[C@H]1CN(/C(S)=N/N[C@H](C)c2nccc3ccccc23)C[C@@H](C)O1 27983506 BLJOMYNVSNUVKA-HZSPNIEDSA-N 344.484 3.195 30 1 EGEF COC(=Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(OC)cc1O 2356490607 OWLPSZJBNLYHSI-UHFFFAOYSA-N 344.363 3.288 30 1 EGEF CCCCCCCCCC[C@@H](C(=O)O)[C@@]1(C(=O)OC)CCC(=O)O1 2356498912 MOQSEPITIGAHKF-KBXCAEBGSA-N 342.432 3.467 30 1 EGEF N#Cc1cnn(CC(=O)N2c3ccccc3Sc3ccccc32)c1N 95574273 SCUVYIKGCWNXAY-UHFFFAOYSA-N 347.403 3.166 30 1 EGEF N#Cc1nc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2nc1C#N 587026383 COPXLAZDWGXTIO-UHFFFAOYSA-N 328.360 3.492 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnn(CCN2CCCC2)c1 587909016 IFKXNNQNHPXAME-UHFFFAOYSA-N 329.831 3.041 30 1 EGEF Nc1ccc(-c2ccc(NC3=CC(=O)c4ncncc4C3=O)cc2)cc1 1772647897 DMXMYYPTBGIEHP-UHFFFAOYSA-N 342.358 3.101 30 1 EGEF CN(CCc1ccccc1)c1ncnc2c(C#N)c3n(c12)CCCC3 13559618 LKWFUKQMAMJMOY-UHFFFAOYSA-N 331.423 3.318 30 1 EGEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@H](O)C1=CC(=O)O[C@H]1O 2356336184 HYOANESYDNMXHG-LLJHKCNDSA-N 334.456 3.338 30 1 EGEF C=C1CC[C@H](C(C)=O)[C@@H](OC(=O)C=CC(C)(C)O)C=C(C)CCC1=O 2356460476 WNLDPFSWPBREOU-AEFFLSMTSA-N 348.439 3.076 30 1 EGEF C[C@@H]1CC(=O)[C@]2(C)[C@H](CC[C@@H]3O[C@]32C)[C@@]1(C)CCC1=CC(=O)OC1 2356470146 PNEVRZLMZSOONE-CZCVWDQASA-N 332.440 3.439 30 1 EGEF CN1C(=O)c2c3c(cc4cccc1c24)C(C)(C)NC(=O)C[C@]1(C)O[C@H]31 2356725015 GSLMEQPWGDWDKV-XLIONFOSSA-N 336.391 3.015 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC[C@]3(C)O[C@@H]3[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356759433 PTUHWOJINFJBSD-DYWWHBPLSA-N 346.423 3.250 30 1 EGEF CC1=NN(C)[C@H]2[C@@H]1N/C(=N/c1c(C)cccc1Cl)c1cnc(C)n12 36187622 VVCCPVFLCHZEGL-NVXWUHKLSA-N 342.834 3.023 30 1 EGEF Cc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(Cl)cc1)C(=O)N2 40408946 HQBXZWVAXHUIKV-UHFFFAOYSA-N 344.827 3.291 30 1 EGEF C=CCOc1ccc([C@H]2NC(=S)N=C(C)/C2=C(\O)OC)cc1OC 621474209 QMTHZZRVKPJZBD-VZHUHSAUSA-N 348.424 3.066 30 1 EGEF C=CCc1cccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c12 586961060 FGBNONGQAOLHRY-SECBINFHSA-N 327.413 3.223 30 1 EGEF Cc1ccc([C@@H](C)/N=c2\c(O)c(O)\c2=N/c2ccc(C#N)cc2)cc1 3823966 QBPWIAPEJAKHAC-VCIGQXRTSA-N 331.375 3.048 30 1 EGEF O=C1C=Cc2c3c(c4ccc(O)c5c4c2C=CC5=O)[C@H](O)CC(O)=C13 2356342463 BAVNHBKPLXSVSJ-CQSZACIVSA-N 332.311 3.057 30 1 EGEF CC[C@H](O)/C=C/C=C\C/C=C/[C@@H]1[C@H]2O[C@H]2C[C@H]1[C@H]1CCCC(=O)O1 238780111 YFHYWHWBWQBXAP-QEKBYEEISA-N 332.440 3.315 30 1 EGEF COCCCN=c1ccc(C#Cc2cc(Cl)ccc2OC)c[nH]1 587908377 RVNXRILURARXEH-UHFFFAOYSA-N 330.815 3.014 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1CN1CCNCC1 587901888 YNUMZHMCKBXUBO-UHFFFAOYSA-N 340.854 3.154 30 1 EGEF Cn1cc(C(=O)CCCCc2ccccc2)cc1/C=C/C(=O)NO 13559556 QNIOUMVBOGKRQV-VAWYXSNFSA-N 326.396 3.139 30 1 EGEF N#Cc1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1 14977798 VVLPZPSTQWLQHU-UHFFFAOYSA-N 340.390 3.358 30 1 EGEF in-vivo N#Cc1cccc(-n2ccc(OCCOc3ccccc3)cc2=O)c1 1857634204 LCTMXHIKBVVKNU-UHFFFAOYSA-N 332.359 3.167 30 1 EGEF COc1ccccc1[C@@H](CNCC(C)(C)S)NCC(C)(C)S 28261026 LBXKLRNVTGQGFK-CQSZACIVSA-N 342.574 3.332 30 1 EGEF CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1C[C@@H]3C(C)(C)CCC[C@@]23C(=O)O1 100783622 ZGIOOTXNBWWRKD-HZNYWTHISA-N 344.407 3.045 30 1 EGEF endogenous,in-man CC=C(C)C(=O)O[C@@H]1CC(C)=CCC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356630176 FKJVDTHEVUYSKQ-SMSPYCQASA-N 348.439 3.330 30 1 EGEF C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C(=O)O[C@@]2(/C=C/C=C(C)C)CO 34598584 JYBJATPZXXGWRQ-JFJONPEWSA-N 332.440 3.317 30 1 EGEF CC(C)N/C(=N\O)c1ccc(Oc2ccc(-n3ccnc3)cc2)nc1 72185480 VYQOUTZAQFJWGG-UHFFFAOYSA-N 337.383 3.193 30 1 EGEF C=CCC1=C[C@]2(OC)C(=CC1=O)O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C 13434854 GGRIWHJBFXFKGS-TVNIXMEMSA-N 340.375 3.477 30 1 EGEF biogenic O=C(Cc1ccsc1)Nc1ccc2cc(C(=O)NO)sc2c1 96924304 UQNHQDOHYCTRLY-UHFFFAOYSA-N 332.406 3.263 30 1 EGEF C=CCCC(=O)N1C[C@@H]([C@@H](C)OCCCCc2ccccc2)C1=O 95572548 JPZQJQBRTDSJSO-AEFFLSMTSA-N 329.440 3.366 30 1 EGEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@H](O)C1=C[C@@H](O)OC1=O 257536805 RWRUMHLQHKUMDS-QOSLBHJFSA-N 334.456 3.338 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(N=c2cc[nH]cc2)nc1 587908429 VJUXFUMOLWHACC-UHFFFAOYSA-N 336.782 3.099 30 1 EGEF C#C[C@@H]1CCC[C@]2(C1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962671231 SEFOJKHYIKIJNS-KBJGYGKASA-N 348.446 3.352 30 1 EGEF N=C(N)/N=C(\N)SCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 14966668 KTMHBNXOHBHKBF-UHFFFAOYSA-N 344.284 3.166 30 1 EGEF CC1=CCC[C@@](C)(O)[C@H]2CC[C@@](C)(O2)[C@H]2C(=O)C(=C(C)[C@H]2O)CC1 2356528001 QRTUGLKKOAKYGZ-UNNPPQAFSA-N 334.456 3.072 30 1 EGEF CC(=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3)CO 2356588164 KOATXBNOVXBDJE-NFQYFHPZSA-N 346.467 3.445 30 1 EGEF C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C/C(C)=C/[C@H](O)C1)OC3=O 39350757 NAXRGDYBDAKNAZ-HVSXDLJBSA-N 332.440 3.402 30 1 EGEF C=CCN1[C@@H](CC(C)C)COc2c(Cl)cccc2S1(=O)=O 72139423 IGICDKOXDFTDKL-LBPRGKRZSA-N 329.849 3.324 30 1 EGEF COCC1=C2[C@@H](CC1)[C@@H](C)[C@@H](O)CC1=C(C(C)C)C(=O)C[C@]1(C)[C@H]2O 1911570957 ZGOQDTXBALVDPI-UGXZTEESSA-N 348.483 3.033 30 1 EGEF C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@@H](C)/C=C\CC(=O)OC 72946506 KJHMKRHEJWSQIB-ZBWFSNBTSA-N 347.411 3.404 30 1 EGEF CC(C)=CCC(=O)/C(C)=C/CC[C@]1(CO)O[C@H]1CC/C(C)=C\CO 238782625 QFOKXRAQWYQLQM-WCYKZJIZSA-N 336.472 3.487 30 1 EGEF biogenic Cc1cc(C)c(C#N)c(SCC(=O)NCc2cccc(F)c2)n1 96934900 XDEWQRZCYSQIHI-UHFFFAOYSA-N 329.400 3.118 30 1 EGEF CC1(C)Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2C[C@@H]1O 14557851 FLBNWTQYELEITH-YXOJNZSOSA-N 340.375 3.068 30 1 EGEF COc1ccc(/C=N/NC(=S)Nc2cc(C)ccc2OC)cc1 6522274 MWXCSPXTLQOAJT-WOJGMQOQSA-N 329.425 3.333 30 1 EGEF C[C@@H]1C[C@@H]2[C@H]3C(C)(C)O[C@@H](C(=O)[C@]4(O)[C@H](C)CC[C@@H]1[C@@]24C=O)C3(C)C 2356789315 DDAONPKAPSRUAI-JZTLTYJBSA-N 348.483 3.007 30 1 EGEF C=CC(C)(C)c1cc(O)c2oc3c(O)c(O)ccc3c(=O)c2c1O 15121015 DUEPHQIDRAQTIM-UHFFFAOYSA-N 328.320 3.232 30 1 EGEF biogenic CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 140018261 AGQDSDOJDGKJHC-PXECCSRGSA-N 332.484 3.486 30 1 EGEF COC(=O)[C@@H](C)n1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C 587902848 QVOMCLKFZLQPHP-CYBMUJFWSA-N 346.814 3.296 30 1 EGEF CC(C)(C)OC(=O)N1CC[C@H]1c1[nH]c2c(C(=O)O)cccc2c1C#N 587638714 IYGRVZHIKKPOJJ-ZDUSSCGKSA-N 341.367 3.420 30 1 EGEF CC(C)CCNC(=O)[C@H](CC(C)C)/N=C/[C@H]1C(=O)Nc2ccccc21 169724600 JOTXMTIWEHDYJR-HFMLIQQESA-N 343.471 3.370 30 1 EGEF N=C(N)N/N=C(/C=C/c1ccccc1)c1ccc(Br)cc1 64573124 OMJMFSIDNSRBFZ-CYGOCIAXSA-N 343.228 3.350 30 1 EGEF C=C1CC[C@]2(O)C(=C)CO[C@@H]2C=C(C)CC[C@@H]2O[C@@]2(C)CC[C@H]1O 2356512656 AUUMUUHNIPXGDI-RMMWZPCPSA-N 334.456 3.048 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12 257520558 QFINJHBXXJQKPB-SGMLBTHISA-N 346.423 3.010 30 1 EGEF endogenous,in-man CC1=CC(=O)C[C@H](C)C[C@@H]2OC(=O)C(C)=C3CC[C@](C)(CC1)[C@]32O 2356791722 IXGLBMQORNELCO-SIXJUCDHSA-N 332.440 3.485 30 1 EGEF C=C(C(C)=O)[C@@H]1C[C@H]2[C@@](C)(CC[C@@]3(O)C(C)(C)CCC(=O)[C@]23C)O1 473088024 HLTOESXUEDCAHW-WOCWYEKDSA-N 334.456 3.216 30 1 EGEF C#CCCOC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587793527 NKQIWBKJNDUEBS-ZUZCIYMTSA-N 326.209 3.203 30 1 EGEF CC[C@H](C#Cc1ccccc1)N(C)/C(N)=N/C(=O)/C=C/c1ccccc1 205717459 PVOGJJDZTCSRIF-XBVMLYLOSA-N 345.446 3.303 30 3 EGEF C[C@@H]1CC(=O)NN=C1c1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1 103173736 MJNHPFLOEODCLF-ZGXHQARYSA-N 336.351 3.206 30 1 EGEF CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\c1ccnc2ccccc12 100756723 JJTSCNZXYIQGBU-IGOCJVNJSA-N 334.375 3.048 30 1 EGEF COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(O)c(C)c1O 82153224 IAJGNCTVOOXUBB-FNORWQNLSA-N 344.363 3.328 30 1 EGEF C[C@@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CCC5=CC(=O)CC[C@@]54C)[C@H]2C[C@@H](O)[C@H]13 255243570 NEANQMHNHHJJNL-HDHNVCKLSA-N 344.451 3.031 30 1 EGEF COc1cccc(CN=c2ccnc(Nc3ccc(C#N)cc3)[nH]2)c1 473248657 PQHZDLWZDBGFLW-UHFFFAOYSA-N 331.379 3.134 30 1 EGEF COc1cc2c3c(c1)O[C@@](CC#N)(c1cc(Cl)ccn1)[C@@H](C2)C3=O 587418473 IECRJEPKQJJCHM-SCLBCKFNSA-N 340.766 3.300 30 1 EGEF Cc1c(Br)cnc2[nH]c(COc3ccc(C#N)cc3)nc12 587189234 ACUPBUPMQRHVIS-UHFFFAOYSA-N 343.184 3.480 30 1 EGEF O=C(CCCCCONC(=O)c1ccc(-c2ccccc2)cc1)NO 169353981 CLZMCTXHAOPZIM-UHFFFAOYSA-N 342.395 3.081 30 1 EGEF C=C1CCC2=C(C)CO[C@H]2/C=C(\C)CC[C@@H](O)[C@](C)(O)CC[C@H]1O 207616667 RAUBSCWQZYSZOV-OFLYCMEVSA-N 336.472 3.031 30 1 EGEF C=C1[C@H]2CC[C@@]3([C@H](O)C[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]3C2)[C@@H]1O 2356567278 OBIAEZKGQYQFCQ-OXZKMZNTSA-N 348.483 3.070 30 1 EGEF CCCCc1nc2cc(/C=C/C(=O)NO)ccn2c1CN(CC)CC 143041499 PKYJPGFWSVTRGQ-MDZDMXLPSA-N 344.459 3.037 30 1 EGEF N#Cc1ccccc1SCc1nc2c(S)nc(S)nc2[nH]1 586964486 FUVVFYKNVODVJJ-UHFFFAOYSA-N 331.451 3.094 30 1 EGEF N#Cc1cc(Cl)ccc1[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962900039 PFGFUASQYJLRJO-GOEBONIOSA-N 330.746 3.039 30 1 EGEF CCCc1[nH]nc2c1[C@@H](c1cc(OC)ccc1F)[C@@H](C#N)C(=N)O2 169691121 NJGQDGIEJBAXFV-RISCZKNCSA-N 328.347 3.151 30 1 EGEF CC(C)COc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1C#N 1857750143 URJCULMRCDMTEW-UHFFFAOYSA-N 329.381 3.037 30 1 EGEF C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(C#N)c4)cc3c21 28902061 BWMYAAGVSXHFLF-LLVKDONJSA-N 344.374 3.139 30 1 EGEF COc1ccc(/C=N\Nc2snc(SC)c2C#N)cc1OC 38199691 ZBKLKXXWAJJABZ-PXNMLYILSA-N 334.426 3.200 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc2cc(C(=O)O)nn12 587913224 ZMKKLVVPMWEQPB-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc(C(=O)O)c1 587904116 BQGIOLWGVOMOLG-UHFFFAOYSA-N 330.723 3.145 30 1 EGEF N#Cc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1C#N 587091123 BJWWQRUIQIGDFH-UHFFFAOYSA-N 331.257 3.456 30 1 EGEF CCOc1cc(OC[C@H]2CO2)cc2oc3c(OC)cccc3c(=O)c12 1772583200 TYFCQNLBZUIORH-LBPRGKRZSA-N 342.347 3.131 30 1 EGEF C/N=C/c1cn(C[C@@H](O)COc2cccc3[nH]c4ccccc4c23)cn1 1857748842 PMTVCMUUDZWAJT-MNPVBQOISA-N 348.406 3.006 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H]3O[C@]3(C)[C@@H](OC(=O)CC(C)C)CC=C(C)CC[C@H]12 2356474142 FFCNNRVCNZPRLJ-JVVIJLGSSA-N 348.439 3.330 30 1 EGEF CN[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21CO 2356511637 GNHGBSZVNIWLJP-POJZBZBFSA-N 343.511 3.491 30 1 EGEF C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 2356735222 FCLVCSQYVQXMRZ-UIEFELACSA-N 348.458 3.025 30 1 EGEF CC(C)(C)Nc1nc2c(s1)Cc1cc(/C=C/C(=O)NO)ccc1-2 96923419 BPCMHNKKKFVHQM-FNORWQNLSA-N 329.425 3.443 30 1 EGEF CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 255286972 ZGODLWLWPALTFR-QJSKAATBSA-N 328.452 3.470 30 1 EGEF C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@H]2C 254011989 KPAMAOKNEWVTGG-YOACBEGTSA-N 326.392 3.289 30 3 EGEF N#Cc1nc(Cl)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587125646 TXNPSPFLVQMUFT-UHFFFAOYSA-N 335.701 3.189 30 1 EGEF COCCN(C)c1ccc(C#Cc2cc(Cl)ccc2OC)cn1 587908272 PGXCCFHJKDQZQJ-UHFFFAOYSA-N 330.815 3.226 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccccc1=O 587891176 RGKSDBNFNRLAFU-UHFFFAOYSA-N 346.213 3.064 30 1 EGEF C=C(C)[C@H](O)Cc1c(O)ccc2c1O[C@H]1c3ccc(O)cc3OC[C@H]21 15147360 LRCYZCCKRIVTHN-MDYRTPRTSA-N 340.375 3.187 30 1 EGEF endogenous,in-man C=CC[C@]12CCN(CC3CCC3)[C@H](Cc3ccc(O)cc31)[C@@]2(C)O 169316828 OOAINMMNNPSNRR-NJYVYQBISA-N 327.468 3.388 30 1 EGEF COC1=Cc2ccnc3c(NCCc4ccccc4)cnc(c23)C1=O 200718205 ZIWLGKRCCRFXQK-UHFFFAOYSA-N 331.375 3.468 30 1 EGEF COc1ccc(C=NCCc2ccc(OC)c(OC)c2)cc1OC 1857626811 OYKYCTMRLGPLFT-UHFFFAOYSA-N 329.396 3.383 30 1 EGEF CN(C)c1ccc(-c2nc(NCc3ccccc3)nc(O)c2C#N)cc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c1ccc(CCC(=O)/C=C/[C@H](O)Cc2ccccc2)cc1OC 84757752 ZENDLXHTQUIMRF-CVTTXWKISA-N 340.419 3.365 30 1 EGEF C=CCc1ccc(OCc2cn(-c3ccc(C#N)cc3)nn2)c(O)c1 299866410 OWTWKYWBFGDBCJ-UHFFFAOYSA-N 332.363 3.152 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(C#N)c2)N1 587795461 XJPFSCFYWHNSRW-AYVTZFPOSA-N 334.192 3.412 30 1 EGEF Nc1cccc(C(=O)c2ccc3c(/C=N/n4cccc4)n[nH]c3c2)c1 167047177 WRESVRQYSXPOKB-CIAFOILYSA-N 329.363 3.060 30 1 EGEF Cn1cc(/C=C/C(=O)c2ccccc2Cl)cc1/C=C/C(=O)NO 3925743 HWRSJXRUXNYVBE-CDJQDVQCSA-N 330.771 3.093 30 1 EGEF Cn1cc(/C(O)=N/c2ccccn2)c2c3ccccc3n(C)c2c1=O 6785638 PWPXRFVKUGAJNF-UHFFFAOYSA-N 332.363 3.062 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)C=C(C)C)[C@@H](O)[C@H]12 2356431259 JJFSJHYLXOTBEF-YSHGAJCASA-N 346.423 3.010 30 1 EGEF CC1=C2[C@H](O)[C@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@]2(C)C=CC1=O 66123366 VZTKKBZCBOZPNT-UHWHQUHESA-N 333.472 3.017 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@@]3(C)O[C@@H]3[C@@H](OC(=O)/C(C)=C\C)[C@H]12 523042180 PTUHWOJINFJBSD-WWEUNOQHSA-N 346.423 3.250 30 1 EGEF biogenic COC(=O)N1CC[C@](O)(C#Cc2cccc(C)c2)[C@@H]2CCCC[C@H]21 261126411 KHTQLWFDNBGZGX-QWFCFKBJSA-N 327.424 3.109 30 1 EGEF COc1cccc(N/N=C(\C#N)C(=O)c2cc(C(C)(C)C)on2)c1 473110975 YUVLQPBLZCUFJY-XSFVSMFZSA-N 326.356 3.155 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(CNC2COC2)c1 587904622 SCDQSSJZKZDZJO-UHFFFAOYSA-N 327.811 3.237 30 1 EGEF C[C@H](C=O)CCCCCCCCCCC(=CC(=O)O)CNC(=N)N 2356766413 FGQSTEPCOKUMHJ-HNNXBMFYSA-N 339.480 3.216 30 1 EGEF COc1cc(O)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1 29055002 HAIRUBAWLBUWML-HWKANZROSA-N 328.320 3.034 30 1 EGEF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\C#Cc1ccc(C)c(F)c1 261134016 LSHYSRPXQSYQAD-KHTBDQSYSA-N 339.410 3.068 30 1 EGEF CC(C)(C)n1nnc2c1CC[C@H](c1nc(-c3ccc(C#N)cc3)no1)C2 653757367 JRDUPVUUUYSETR-AWEZNQCLSA-N 348.410 3.227 30 1 EGEF CC(C)(C)OC(=O)NCc1[nH]c2c(C(=O)O)cccc2c1CCC=O 587638126 KUDANYUEFGGWRV-UHFFFAOYSA-N 346.383 3.022 30 1 EGEF CC#CC[C@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963183018 IKPZCVTWYMFBOY-MNOVXSKESA-N 331.721 3.412 30 1 EGEF COc1cc2c(cc1OC)[C@@](CC#N)(c1ccco1)N(C)[C@@H](C)C2 962634803 LUZWFTPYOMCBQI-DJJJIMSYSA-N 326.396 3.330 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)CCC=C(C)C[C@@H](O)[C@H]12 2356422251 KKAPMISEUVNCQQ-MKXGPGLRSA-N 332.440 3.219 30 1 EGEF C/C(C[C@@H]1C=Cc2ccc(C(=O)O)c(O)c2N1)=C1/C=CC(=O)C(O)=C1 103217885 HFALPRIZPBBPML-XSNHNAGMSA-N 339.347 3.185 30 1 EGEF N#C[C@H]1C(=O)NC2=C(CCc3ccccc32)[C@@H]1c1cccc([N+](=O)[O-])c1 26666366 XKSNMCMXEVQOCT-MSOLQXFVSA-N 345.358 3.305 30 1 EGEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C3=C(C)C(=O)C=C[C@]3(C)CC[C@H]21 2356740570 SSCJYULVYLIUJD-GODCRWGESA-N 344.407 3.052 30 1 EGEF C=C[C@]1(C)C[C@]2(OC[C@]3(C)O[C@@H]32)O[C@@H]2c3c(C)cccc3OC(=O)[C@H]21 2356763190 AHICRLHMYLDOJO-BVTPCJTOSA-N 342.391 3.068 30 1 EGEF O=C1Nc2ccccc2/C1=N/NC(=S)Nc1cccc2ccccc12 73164982 JVSMSCIVLYMJSH-UHFFFAOYSA-N 346.415 3.483 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(N)c(OC)c1 587900763 UVZNCYREDPIFJN-UHFFFAOYSA-N 345.782 3.126 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(C(=O)O)s1 587918813 JWVOUWMFVHVGEE-UHFFFAOYSA-N 337.740 3.416 30 1 EGEF CCCCCCCCCC[C@H]1NC(=N)N[C@@]2(CCCO2)[C@H]1C(=O)O 1772596996 XQIBJGYYXKVIHB-IIDMSEBBSA-N 339.480 3.221 30 1 EGEF C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C 12725998 KDRXBLKIJHTGCN-ZNYHDOEXSA-N 344.407 3.191 30 3 EGEF C/C(=N/N=C1/SCC(=O)N1C(=O)c1ccccc1)c1cccs1 1857760921 BOMVYRBNPDDNOE-FWBCWGBVSA-N 343.433 3.244 30 1 EGEF C=C(C)[C@@H]1C[C@H](OC(=O)CC(C)C)[C@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C 2356438554 JWNHKPFBTAUOPJ-OZRBRLMWSA-N 334.456 3.443 30 1 EGEF C=C1CC[C@H]2CCC3=C([C@H](C[C@]4(C)O[C@@H]4[C@H](O)C1)OC3=O)C2(C)C 2356543468 SMGIARQMSXVWAY-DJDJZGHBSA-N 332.440 3.293 30 1 EGEF c1ccc(CO/N=C2\c3ccccc3CC[C@H]2Cn2cncn2)cc1 40918798 NLVVXARCANRDKT-FGLUDEAJSA-N 332.407 3.462 30 1 EGEF O=C1C=C[C@@]2(C=C1Cl)OC[C@@H](c1cccc(Br)c1)O2 96916775 OORFOPWOOLFOBO-UONOGXRCSA-N 341.588 3.495 30 1 EGEF N#Cc1nc(Cl)cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c12 587068806 FDOKFJRWYPVXRW-JTQLQIEISA-N 346.221 3.421 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(Br)c(N)n1 587910600 JKRSOWVDWWSIFB-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF CC1=CC(=O)[C@H]([C@]2(C)NCCc3cccc(-c4ccccc4)c32)C(=O)O1 962669030 ZSKDJWBYARDNFZ-RBBKRZOGSA-N 347.414 3.360 30 1 EGEF CCOP(=O)(OCC)[C@]1(C#N)SC[C@@H](CN(C)C)CS1 103272665 KPPZTNLCRZHZPL-TXEJJXNPSA-N 338.435 3.088 30 1 EGEF CC[C@H](C)C(=O)O[C@]12O[C@@H]1C[C@]1(C)Cc3occ(C)c3C[C@H]1[C@@]2(C)O 2356615684 LKGZPVLMOLNTBC-RWUUOUDTSA-N 348.439 3.148 30 1 EGEF O=C1/C(=C/c2ccc(O)c(O)c2)[C@H](c2ccc(O)c(O)c2)n2cccc21 653918534 QRRWGDQOWXRNRP-CWRQFWGNSA-N 349.342 3.180 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(O)c(OC)c1 587900089 LMDPLFNKFONHPL-UHFFFAOYSA-N 346.766 3.249 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@@H]1[C@@H](O)C/C(C)=C\CC/C(C)=C\[C@@H](O)C[C@@H]2C 169333387 GQTPRLWQZDUWKJ-QMBVSYKASA-N 334.456 3.299 30 1 EGEF CC(=O)OC=C(C)C1=C[C@]2(C)C(=CC1=O)[C@@H](OC(C)=O)CC[C@@H]2C 2356554705 VUQSDTNBGZBQBW-NXXSPTCGSA-N 332.396 3.257 30 1 EGEF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2C[C@H](O)[C@@H](C)[C@@]13C 2356634206 BUXOFSAAHQSJNZ-GPSGKJCOSA-N 346.423 3.239 30 1 EGEF COc1ccc(N/N=C2/C=C(C)C(=O)C(CN3CCCCC3)=C2)cc1 13119252 CXZUFTJPZKVFHF-PYCFMQQDSA-N 339.439 3.404 30 3 EGEF C=CC(C)(C)c1c(O)cc2oc3c(O)c(O)ccc3c(=O)c2c1O 13412058 AIUQKYDJHSRTBI-UHFFFAOYSA-N 328.320 3.232 30 1 EGEF biogenic,in-vitro CCCCCCCCC[C@H](O)C=C[C@H](O)[C@H](O)CCCC(=O)O 2356570150 XYVMMUYIQOLBNH-BBWFWOEESA-N 330.465 3.021 30 1 EGEF CC(C)C[C@H](NC(=O)OCCCC1CCCCC1)C(=O)NCC#N 82065234 IZJMKICLVSYFBA-INIZCTEOSA-N 337.464 3.128 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c(C#N)c2)N1 587789083 BVUKPWKZGXAURP-ANRSDYALSA-N 334.192 3.412 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CP(=O)(O)O)cc1 587917779 SWNAQHUNBRGWCJ-UHFFFAOYSA-N 336.711 3.426 30 1 EGEF C[C@H](O)CC1=C(O)C2=C[C@H]3OC[C@@]4(C)CCC[C@](C)(C2=C(O)C1=O)[C@@H]34 165251196 LTQUMHRNDPWQLR-CAMVAICSSA-N 346.423 3.116 30 1 EGEF C=C(C)COC1=CC(=O)/C(=C2/NNC=C2c2ccc(OC)cc2)C=C1 103757097 WVUORDHLAKFQMA-LVZFUZTISA-N 336.391 3.014 30 3 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)C(C)=CC)[C@@H](O)[C@H]12 2356553251 SLFNZRXROGKMKG-BDXSIMOUSA-N 346.423 3.010 30 1 EGEF C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C 238764745 GGRIWHJBFXFKGS-BYYRLHKVSA-N 340.375 3.477 30 1 EGEF C=C(C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C 238782814 MZIWZAARQUGBNS-FWAYHXGXSA-N 332.396 3.369 30 1 EGEF C[C@@H](O)[C@@H]1C[C@H](O)[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257507417 OVQSVMZESAVYPN-GKXGSWLNSA-N 332.484 3.486 30 1 EGEF endogenous,in-man Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1 587888745 AAKACVNOXMEXEW-UHFFFAOYSA-N 333.218 3.407 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=CC=CC2=O)N1 587817804 NBNSQAFEUFZXLZ-HWPZZCPQSA-N 336.204 3.403 30 1 EGEF N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 587588731 LIGNAHJMNMTXMB-VQIMIIECSA-N 332.315 3.295 30 1 EGEF CC(C)=CC[C@@H]1C(=O)C(C(=O)C(C)C)=C(O)[C@@]1(O)C(=O)/C=C/C(C)C 1642676729 VFOIIASOCMWQKR-MSAJCJOTSA-N 348.439 3.091 30 1 EGEF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@H](C#N)C(=O)N2 5883712 PXJJMZRPGBMTIG-DYJJVJATSA-N 326.440 3.137 30 1 EGEF O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\C/C=N/c1ccccc1 169692322 RIIKCDZYGNPOON-WGVPTNTPSA-N 339.395 3.117 30 1 EGEF CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc3c(c2)CCC3=O)cc1 169706191 XDTQNYIEZPYPGE-OAHLLOKOSA-N 331.415 3.282 30 1 EGEF CC1=CCC[C@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2[C@H](O)C[C@H](C)[C@@]3(C)CC1 2356381537 QERBULPKWCHSBH-JTSSGKSMSA-N 334.456 3.087 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C(=O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 104370394 FKDIIXZIKCNXAT-HEUXHEFGSA-N 344.407 3.218 30 1 EGEF endogenous,in-man CCOc1ccc(C#Cc2ccc([C@H](C)NC(=O)CCO)cc2)cc1 113413670 RLNJDBHMYXSFBW-INIZCTEOSA-N 337.419 3.045 30 1 EGEF N#Cc1cccc(-c2c(C(=O)c3ccccc3)[nH]c3nc[nH]c(=O)c23)c1 96921743 WHDPJWCJSNFZKP-UHFFFAOYSA-N 340.342 3.021 30 1 EGEF C#CCn1c(O)c(N=NC(=O)[C@H](O)c2ccccc2)c2ccccc21 253947670 QUNPSFIWEMCYCC-QGZVFWFLSA-N 333.347 3.324 30 1 EGEF CN(C)c1ccc(-c2nc3c(Br)cc(C#N)cc3[nH]2)nc1 587194721 METVNWZJOJRIIT-UHFFFAOYSA-N 342.200 3.325 30 1 EGEF COC(=O)c1nc(SC)ncc1C#Cc1cc(Cl)ccc1OC 587919488 PDNBRJSZJMCHLQ-UHFFFAOYSA-N 348.811 3.047 30 1 EGEF C=C(C)c1cc(Nc2cc(=O)n(CCCCOC)c(=O)[nH]2)ccc1C 13522342 HXCGMURDYSLIJQ-UHFFFAOYSA-N 343.427 3.048 30 1 EGEF C=CCOc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O)[C@H](O)C[C@H]12 169356421 GVKVGOGUDSJCLX-PZAQWVNCSA-N 328.452 3.439 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C[C@H](C)[C@H](OC(=O)C(C)=CC)C[C@H]12 2356541465 DJGASAIKXNFYNL-PFPDTZPXSA-N 348.439 3.089 30 1 EGEF CCn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21 36375151 KLSHPXPMJUGIDY-JLHYYAGUSA-N 335.407 3.360 30 1 EGEF CC(C)(CC(=O)O)Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587955544 MXIWMXNQCPBFPU-UHFFFAOYSA-N 325.290 3.497 30 1 EGEF O=C1C=C[C@@H]2[C@@H](c3ccc4c(c3)OCO4)C[C@@H]1N2Cc1ccccc1 169299757 ONQQYFYIKCBECT-KURKYZTESA-N 333.387 3.281 30 1 EGEF C=C1CC/C=C(/C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@H]1O2 169313110 HNHDPFYELJZTEZ-DWXQCJNKSA-N 332.440 3.459 30 1 EGEF C=C1CC[C@@H]2O[C@]2(COC(=O)C(C)=CC)[C@H](O)C[C@H]2[C@@H]1CC2(C)C 2356560212 PLGNMEYDFUAPRS-QOSLBHJFSA-N 334.456 3.397 30 1 EGEF CCOC(=O)[C@@]1(O)C[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)O1 49803571 MYWNHTJAAOYSEQ-JLTOFOAXSA-N 344.407 3.085 30 1 EGEF O=[N+]([O-])c1ccc(/C=N/NC(=S)N2CCCCCCC2)s1 84616292 ROXFTSUHHGNAFH-GXDHUFHOSA-N 326.447 3.131 30 1 EGEF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(C#N)cccc3[nH]2)cc1 586950722 KMZLYVWDHOJCSQ-UHFFFAOYSA-N 340.408 3.252 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnn([C@H]2CCCCO2)c1C=O 587902372 DIXMBWDPNWMOTI-GOSISDBHSA-N 344.798 3.457 30 1 EGEF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 587785099 LJJJCBWNCMDASW-CVEARBPZSA-N 342.358 3.250 30 1 EGEF N#Cc1cc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)ccn1 961618226 YWFXCWLDNJWPDV-MRXNPFEDSA-N 340.224 3.483 30 1 EGEF COCOc1cc(OC)ccc1C(=O)C=Cc1ccc2c(c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c1ccccc1 43442972 RNFPGZDJLXRYHX-OAHLLOKOSA-N 343.360 3.314 30 1 EGEF N#Cc1c(-c2ccco2)cc(-c2c(O)c3ccccc3oc2=O)nc1N 49089927 JYZRXNDOZPWQMO-UHFFFAOYSA-N 345.314 3.274 30 1 EGEF COc1ccc2c(c1)O/C(=C\c1ccc(OCCN(C)C)cc1)C2=O 299867883 YYJRSQYLLCSWEQ-UNOMPAQXSA-N 339.391 3.252 30 1 EGEF Cc1scnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587898601 JKMIBCMLOQKCEU-UHFFFAOYSA-N 339.247 3.469 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(OC)c(C(=O)O)c1N 587899731 IELFRWVTTKLDNV-UHFFFAOYSA-N 331.755 3.037 30 1 EGEF COCC(=O)Nc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587906489 HSGIPEXFABBDIJ-UHFFFAOYSA-N 329.783 3.333 30 1 EGEF Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 587889808 BLYXKNMCSAEPFJ-UHFFFAOYSA-N 333.218 3.407 30 1 EGEF CCCCCCCCCCS(=O)(=O)O/N=C(\N)c1ccncc1 169342914 YOANFFVRTRZSFY-UHFFFAOYSA-N 341.477 3.189 30 1 EGEF C#Cc1csc(NC(=O)Cc2ccc(OC)cc2)c1C(=O)OCC 66073812 DUBZBFMLYCNCJW-UHFFFAOYSA-N 343.404 3.096 30 1 EGEF CC1(C)CCC[C@@]2(C)[C@@H]3CC(=C(CO)C(=O)C=O)O[C@@]3(C)CC[C@H]12 2356635026 SOCXIASRGRBOAM-BWPNAZKDSA-N 334.456 3.422 30 1 EGEF C[C@@H]1CC[C@H]2CC3=C(COC(=O)CC(C)(C)O)C(=O)C[C@]31C2(C)C 14637907 SWWHKTDRKCDGNL-MTJIALIYSA-N 334.456 3.422 30 1 EGEF biogenic CSCCN/C(=N\O)c1ccc(C)nc1OCc1ccccc1C 72101364 QPMAQMJTNFNLAI-UHFFFAOYSA-N 345.468 3.366 30 1 EGEF O=C(CCCCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NO 49066539 HMULNLRFADWHNG-UHFFFAOYSA-N 332.322 3.490 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)cn2)N1 587773335 QNQNLTBHBXMEOL-FVMDXXJSSA-N 346.203 3.478 30 1 EGEF C[C@@H]1CC[C@@H](/C(S)=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21 29243274 QWWYIFWBKVBVPN-ZYHUDNBSSA-N 343.408 3.040 30 1 EGEF NC(N)=Nc1ncc(Cl)c2ccc(-c3ccc4c(c3)OCO4)cc12 26980576 OHZKUBPASKSZOQ-UHFFFAOYSA-N 340.770 3.189 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC[C@]3(C)O[C@@H]3CCC(CO)=CC[C@H]12 2356805684 VJTZEEQKGARIJX-MLYOOKFZSA-N 332.440 3.461 30 1 EGEF CC(=CCc1c(O)ccc(C(=O)C=Cc2ccc(O)cc2)c1O)CO 2356821655 GDGQOBRQTUPPDO-UHFFFAOYSA-N 340.375 3.181 30 1 EGEF CSc1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1C#N 587412294 YLAKFVCTEMFPBX-OAHLLOKOSA-N 325.393 3.272 30 1 EGEF N#Cc1nc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2nc1C#N 586896302 AFKFLDQFYRVZAR-UHFFFAOYSA-N 338.330 3.136 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2[nH]c(C(=O)O)cc2n1 587913568 XAHZDJDBKZDHEO-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@@H](O)C/C(C)=C/CC/C(C)=C/[C@@H](O)C[C@@H]2C 5181415 GQTPRLWQZDUWKJ-XJWGGBBRSA-N 334.456 3.299 30 1 EGEF N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1 13580865 MUJWBVGOOQHTTJ-UHFFFAOYSA-N 332.392 3.090 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC[C@]3(C)O[C@@H]3[C@H](OC(=O)C(C)=CC)[C@H]12 2356759435 PTUHWOJINFJBSD-RXFYRGCNSA-N 346.423 3.250 30 1 EGEF COC[C@@H](C)N/C(=N\O)c1ccnc(Oc2ccc(SC)cc2)c1 72182688 VERAARORQXOKHS-GFCCVEGCSA-N 347.440 3.356 30 1 EGEF C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](CF)(C(=O)O1)[C@H]2[C@@H]3C(=O)O 238743864 MOQRYJUIYPNVBO-SGLOLOIOSA-N 334.387 3.115 30 1 EGEF NC(=NO)c1ccc(Nc2nnc(-c3ccc(Cl)cc3)o2)cc1 653787992 DMZQNPADVDWVBA-UHFFFAOYSA-N 329.747 3.228 30 1 EGEF C#CCOc1ccc(-c2nc3cc(CC(=O)OCC)ccc3[nH]2)cc1 587563277 FYIBSVSVTKTQSZ-UHFFFAOYSA-N 334.375 3.348 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSC[C@H]2C#N)N1 587857085 KBCCIBIHGNXPGA-PWZJLYFZSA-N 341.249 3.204 30 1 EGEF COC(=O)c1cnn2cccc(C#Cc3cc(Cl)ccc3OC)c12 587913151 YBJQOHYZEGHNNZ-UHFFFAOYSA-N 340.766 3.183 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(OC)c(C)c1C(N)=O 587899392 CLQXSIVBCGWXCP-UHFFFAOYSA-N 329.783 3.164 30 1 EGEF COC1=CC=C/C(=C\NNc2ncc(C(F)(F)F)cc2Cl)C1=O 13123297 POWJWPHOHYGQJS-SOFGYWHQSA-N 345.708 3.223 30 3 EGEF CC(=CCOc1ccc2ccc(=O)oc2c1)C[C@@H]1O[C@@H]1C(C)(C)O 2356430435 UUNMPBCTAGMNET-WMZOPIPTSA-N 330.380 3.047 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(C)[C@H](OC(=O)[C@@H](C)CC)C[C@@H]12 2356449787 YGMRPCQPDPKSBZ-UXKXPDTHSA-N 348.439 3.330 30 1 EGEF Clc1cc(/N=N\N2CCCC2)cc(Cl)c1N=C1NCCN1 28244256 WJMFHCMXFVRNLY-VXPUYCOJSA-N 327.219 3.268 30 1 EGEF CCC=CC=C(C)C=CC=C[C@@H](O)CC(=O)NC1=C(O)CCC1=O 2356677288 NWXCMIPYEHNXHW-OAHLLOKOSA-N 331.412 3.011 30 1 EGEF C=C1[C@H](O)C[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=CC1=CC(=O)O[C@@H]1O 2356737798 GHNHHZAECXQMOM-YPOJHYBQSA-N 332.440 3.114 30 1 EGEF C=C[C@]1(C)CC(=NO)C2=C(C(=O)C(O)=C3C(C)(C)CC=C[C@]23C)[C@@H]1O 2356738844 CZOCSKKTVSNAHB-DFQSSKMNSA-N 343.423 3.457 30 1 EGEF C[C@H](C(=O)/N=C1/C=C(C2CC2)N=N1)c1ccc(N2CCNC2=O)cc1 33295965 JPAWNIKVRIVDBT-PORMKJMCSA-N 337.383 3.005 30 1 EGEF in-vivo O=C1C=C(c2cccnc2)C(=O)c2c(CCNC3CCCCC3)c[nH]c21 1911577907 IVBIHPIVLAKRIR-UHFFFAOYSA-N 349.434 3.337 30 1 EGEF COc1cccc(-n2ccc3c(N/N=C/c4ccncc4)ncnc32)c1 14946124 XXSQIQBQZJHGEK-FSJBWODESA-N 344.378 3.270 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C\CC[C@@](C)(O)[C@@H](O)C[C@H]12 169292847 HZAPTPBMBOIGCM-OUTSAHMNSA-N 334.456 3.443 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)[C@@H](OC(=O)/C(C)=C\C)C[C@@H]12 155804337 JMTACQPPCMADFS-COBBXBJXSA-N 346.423 3.010 30 1 EGEF biogenic COc1cc(N=c2cc[nH]c3ccc(C#N)cc23)cc(OC)c1OC 1857610089 AHESYZXOYPHUOT-UHFFFAOYSA-N 335.363 3.298 30 1 EGEF N#C[C@@H]1C(=O)NC2=C(CCc3ccccc32)[C@H]1c1cccc([N+](=O)[O-])c1 26666352 XKSNMCMXEVQOCT-ZWKOTPCHSA-N 345.358 3.305 30 1 EGEF CC(C)=CC(=O)[C@@H](O)/C(C)=C/CC[C@](C)(O)[C@H]1CCC(C)=CC1=O 102927812 MMCHYQXMIUOBDF-UKSXKGOUSA-N 334.456 3.286 30 1 EGEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C=O 2356738209 DHEPJQQWDJWPJY-KLEXHFHZSA-N 332.440 3.190 30 1 EGEF C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@]12C=C(C)[C@H](O)O2 2356769426 DPMMSWDFPUUAAQ-RLLQIKCJSA-N 340.375 3.220 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(C#N)c2)N1 587795460 XJPFSCFYWHNSRW-ANRSDYALSA-N 334.192 3.412 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(N2CC[C@@H](N)C2)c1 587905035 IUPUEAIBGYPXHW-QGZVFWFLSA-N 326.827 3.286 30 1 EGEF COC(=O)c1cccc2c1Oc1c(C#N)c(F)c(F)c(C#N)c1O2 1772655211 MRPLMFIENAWTNE-UHFFFAOYSA-N 328.230 3.393 30 1 EGEF CCCCCCCCN1C=N[C@H]2C(=O)NC(Cc3ccccc3)=N[C@H]21 1857577536 ARZUNTANKQVOPO-MOPGFXCFSA-N 340.471 3.157 30 1 EGEF N#Cc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 117624316 VVZNCSHIBODHMZ-JXFKEZNVSA-N 342.402 3.379 30 1 EGEF C=C1CCC=C(COC(=O)[C@H](C)CC)C(=O)C[C@@H]2[C@H]1C[C@]2(C)CO 2356595180 VZGQXACVDHDZIF-IULIOSHDSA-N 334.456 3.446 30 1 EGEF Cn1cncc1Nc1nccc(-c2ccc(N3CCCC3)c(C#N)c2)n1 219378731 NYTXNSGKXJZIID-UHFFFAOYSA-N 345.410 3.093 30 1 EGEF COc1ccc(OC)c(C(=O)/C=C/c2ccc(C(=O)N(C)C)cc2)c1 45339109 DHISVIYAMRTOBB-YRNVUSSQSA-N 339.391 3.302 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\CO)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238737868 WLTUYPUQSWVETP-IHFYOZTLSA-N 348.439 3.091 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 523041739 QFINJHBXXJQKPB-ZMVBYGDCSA-N 346.423 3.010 30 1 EGEF biogenic N#Cc1cc(Cl)c2[nH]c(CSc3ncccc3C(=O)O)nc2c1 586966630 HAKBSTCPASDWCN-UHFFFAOYSA-N 344.783 3.473 30 1 EGEF COc1cc2c3c(c1)O[C@]1(C=COc4cc(C#N)ccc41)[C@@H](C2)C3=O 587429159 OAXLTLHENZNKLQ-YWZLYKJASA-N 331.327 3.116 30 1 EGEF C=C1C(=O)C(O)=C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)(C(=O)CO)CC[C@]12C 15055470 VUBVLRJKVTZJLO-IRYBIPSUSA-N 332.440 3.358 30 1 EGEF CC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccc1OC(F)F 26270325 UBBMVIDEDOPGDQ-CQSZACIVSA-N 338.310 3.346 30 1 EGEF C[C@H]1C[C@@H](C)C(=O)C=CC=C[C@@H](C)[C@@H](C)OC(=O)C=C[C@@H](C)[C@H]1O 2356419545 WDMWTIKQIXSBFK-OLPWTBESSA-N 334.456 3.465 30 1 EGEF O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2cn[nH]c2)no1)NO 28701808 XMSQLNQKUPIPKI-CYBMUJFWSA-N 347.419 3.189 30 1 EGEF Cc1cc(NC(=O)[C@](C)(O)CSc2ccccc2)ccc1C#N 28086011 MUFCAJBKUCZCGK-GOSISDBHSA-N 326.421 3.349 30 1 EGEF Cc1cc2nc(CCNC(=O)c3ccc(C#N)cc3F)[nH]c2cc1C 299865541 UGFBWSRKKHRHCU-UHFFFAOYSA-N 336.370 3.163 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(Br)ncn1C 587911467 ILMKNWMZFPQACD-UHFFFAOYSA-N 325.593 3.244 30 1 EGEF COc1ccccc1/C=C/C=N\n1c(S)nnc1-c1ccncc1 15986327 ZETJWUYSOZVRMV-ALGAGWRISA-N 337.408 3.185 30 1 EGEF COc1ccc(-n2c(SCC#N)nc3sc(C)cc3c2=O)cc1 28948925 OKMQUXDXFBMHOX-UHFFFAOYSA-N 343.433 3.380 30 1 EGEF C=C1CC[C@@H]2O[C@]2(COC(=O)C(C)=CC)[C@H](O)C[C@@H]2[C@H]1CC2(C)C 2356560211 PLGNMEYDFUAPRS-HAJKQMQPSA-N 334.456 3.397 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 33833055 QFINJHBXXJQKPB-PJCXTRSKSA-N 346.423 3.010 30 1 EGEF biogenic,in-vitro C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C[C@@H]3O 72136038 VVTDDOIRDLEBIN-JJIWUHEESA-N 332.440 3.190 30 3 EGEF Cc1ccc(-n2nnc(C3=NN[C@H](c4ccc(C#N)cc4)C3)c2C)cc1 84586751 PHJZYSXEAQNUTD-SFHVURJKSA-N 342.406 3.195 30 1 EGEF CC(C)[C@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO 84616471 OEIHVBMZXNURRL-ICSRJNTNSA-N 343.423 3.151 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CCC(C)=C[C@H](OC(=O)/C(C)=C\C)[C@H]12 263636270 DTOFRQNTRKNUMY-REQFVLSWSA-N 346.423 3.250 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C)c2ncc(CO)n2c1 587912701 NDKXHHRNSSMKJS-UHFFFAOYSA-N 326.783 3.197 30 1 EGEF O/N=C(\CCN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1 36475942 UQPBKHCSINSRSE-HEHNFIMWSA-N 344.846 3.126 30 1 EGEF Cc1ccc(/C(=N/O)NC[C@@H]2CCCO2)c(Oc2cccc(F)c2)n1 72181307 BRPZMSKMYHQPCV-HNNXBMFYSA-N 345.374 3.226 30 1 EGEF CCCCCC(=O)CC(=O)/C=C/c1cc(CCO)c(O)c(OC)c1 85596511 OGGFELYBUONNKL-BQYQJAHWSA-N 334.412 3.057 30 1 EGEF biogenic,in-vitro C=C1Nc2ccccc2[C@]1(O)CCN1CCC[C@@]2(CC)CCO[C@@H]12 238786785 QAXDEEATFCIIMQ-AABGKKOBSA-N 328.456 3.442 30 1 EGEF CC1=CC(=O)O[C@@H](/C=C(\C)[C@@H](O)CC[C@@H](C)C2=CC(=O)C(C)(C)O2)C1 96929319 MVGBWGQAUHVNGU-PAAVRJFSSA-N 348.439 3.234 30 1 EGEF Cc1cc(Cl)ccc1C#Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 587067281 RRJJVBLNFLRZGD-UHFFFAOYSA-N 346.795 3.171 30 1 EGEF O=C1CS/C(=N\N=C\c2ccc([N+](=O)[O-])s2)N1c1ccccc1 169338284 IFPUGJUTYJLIOE-VFDNREJYSA-N 346.393 3.126 30 1 EGEF Cc1cccc(C#C[C@@]2(O)C[C@@H]3CC[C@H](C2)N3c2ncccc2C#N)c1 103293061 QJYIQLHQBGFHDL-XVAYZXCPSA-N 343.430 3.176 30 1 EGEF CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(OC)c(Cl)c2)C[C@H]1C 27327668 YOHBVJKBAPMOFZ-HWPZZCPQSA-N 337.803 3.433 30 1 EGEF N#CC1(c2ccc(Cl)cc2)SCC(N2CCOCC2)CS1 103169086 PFGBJOLVUVDTPS-UHFFFAOYSA-N 340.901 3.197 30 1 EGEF CC(C)COc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1 27429287 HSLKFZVADGJLJO-FRKPEAEDSA-N 342.347 3.454 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CCC(C)=C[C@@H](OC(=O)C=C(C)C)[C@@H]12 2356524221 VKLNEZVZWPYGAE-RDLFHWDQSA-N 346.423 3.250 30 1 EGEF CCC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(C)c(O)cc(C#N)c21 71333156 VDWNSIGXUCTGLG-SFHVURJKSA-N 328.368 3.096 30 1 EGEF C=C(C)[C@@H]1O[C@H]1c1c(OC[C@@H]2OC2(C)C)ccc2ccc(=O)oc12 238765041 UGERORSNMILQIE-OWQGQXMQSA-N 328.364 3.365 30 1 EGEF C#CCCOC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587793514 NJXOHUWBWFRFHA-MFKMUULPSA-N 326.209 3.203 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C#N)c(S)nc1C)O2 587411662 UEILAZIIHHNFAR-GOSISDBHSA-N 339.420 3.322 30 1 EGEF CC(=O)O[C@@H]1C=CC(=O)[C@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1 14594210 PXCPYWFVMWHLIE-ZEZBJUIRSA-N 346.423 3.442 30 1 EGEF C=CCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F 14949802 FXBNWAKVMJGXJE-GZIVZEMBSA-N 341.346 3.316 30 1 EGEF Cc1ccc(-c2n[nH]c3c2[C@H](c2cccnc2)[C@@H](C#N)C(=N)O3)cc1 169689698 HXOOLHMZUKVKCE-HUUCEWRRSA-N 329.363 3.421 30 1 EGEF C=C1C(=O)O[C@H]2C=C(C)[C@@H](O)CC=C(C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 1857628675 QFINJHBXXJQKPB-UZPNAKSJSA-N 346.423 3.010 30 1 EGEF CCCC(=O)O[C@@H]1CCC2=CC(=O)C([C@H](C)C(=O)O)=C[C@]2(C)[C@@H]1C 2356729260 RHAVGGANRGGENU-REVCEQPZSA-N 334.412 3.291 30 1 EGEF CCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(C)c2)[C@H]1CO 95667378 FRJATLFDSIFXLK-SBHAEUEKSA-N 334.419 3.251 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(N)cnc1N1CCCC1 587903183 MFLOKHQTSAHQSU-UHFFFAOYSA-N 327.815 3.326 30 1 EGEF COc1cnccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587879616 WUUOYSVTEBJEDF-UHFFFAOYSA-N 349.217 3.107 30 1 EGEF O=C(CN1C(=O)CSC1=NNC1=CCCC1)c1ccc(Cl)cc1 957871396 ICMFEHGNGBSWNR-UHFFFAOYSA-N 349.843 3.027 30 1 EGEF C=CC[C@H]1C[C@]2([C@@H](C)Cc3ccc(OC)nc3)OCOC2=CC1=O 1857569737 JTEZBOPQWYERSB-ZUEVXXBESA-N 329.396 3.061 30 1 EGEF C=C[C@]1(C)C=C2[C@@H](C[C@@H]1O)[C@@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]1C[C@H]2O 2356598413 PEHMNBMSMKSSAA-NHGFTMMOSA-N 348.483 3.236 30 1 EGEF C=CCN(CC=C)C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21 137373075 QDSXJHZGROJHLH-NWDVTFJYSA-N 345.483 3.496 30 1 EGEF O=c1oc2ccccc2cc1-c1nnc(/N=C/c2ccc(O)cc2)o1 98083667 DRLIPRVOYFRVPC-VXLYETTFSA-N 333.303 3.299 30 1 EGEF C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2CC[C@@H](O)[C@H](C)[C@]21C 238741590 RRRSBSBOBMCFGX-SBJIJDAESA-N 332.396 3.358 30 1 EGEF C/C1=C/CC[C@]2(C)O[C@H]2[C@@]2(O)OCC3=C2[C@H](O)C[C@@H](C)[C@]3(C)CC1 141445079 QERBULPKWCHSBH-NEFHSLKYSA-N 334.456 3.087 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CNCCN2)s1 587920710 MERSFEIVOGQBRE-HNNXBMFYSA-N 332.856 3.044 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CO)cc1 587883696 SWRHIKURPYTRGP-UHFFFAOYSA-N 348.229 3.196 30 1 EGEF C=C1CC[C@@H](C(C)=O)[C@@H](OC(=O)/C=C/C(C)(C)O)/C=C(/C)CCC1=O 169370545 WNLDPFSWPBREOU-HSKVVYJZSA-N 348.439 3.076 30 1 EGEF C[C@]1([C@H](O)CO)CC[C@]2(C)[C@H](CC[C@@]3(C)C(=CO)C(=O)CC[C@@H]32)C1 2356648275 VEHQOXOBKPFBHP-FAQOMCGWSA-N 336.472 3.373 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCCC(CO)=CCC[C@]3(C)O[C@H]3C[C@@H]12 2356802999 WQBZQSVRVUHGCG-DMUMMCEESA-N 332.440 3.461 30 1 EGEF O=C1Nc2cc(Br)ccc2/C1=C\C(=O)c1cccnc1 71333044 IRRJNRULSGCVQV-KPKJPENVSA-N 329.153 3.063 30 1 EGEF C=C[C@](C)(O)C/C=C/[C@@]1(C)CC[C@@H]([C@](C)(O)CC(=O)C=C(C)C)O1 95564051 HYSXHSFJFJWWOB-YVXQBYSJSA-N 336.472 3.484 30 1 EGEF N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587588832 SMEJAUVPAJZUQF-XLIONFOSSA-N 344.326 3.362 30 1 EGEF N#C[C@H]1C(=N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1Cl)OCO2 169688950 WLXZIAVVENIFQW-RFAUZJTJSA-N 344.754 3.307 30 1 EGEF COC1=CC=C/C(=C2\N=C(N3CCCCC3)c3ccccc3N2)C1=O 104029960 GGAJJWZRLSOQNP-XDJHFCHBSA-N 335.407 3.225 30 3 EGEF CC(=O)OC/C(=C\c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 103275472 JSMLNEFEWQRKIZ-LFIBNONCSA-N 325.320 3.424 30 1 EGEF C=CCC1=C[C@]2(OC)C(=CC1=O)O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C 13434856 GGRIWHJBFXFKGS-NXXCRTJYSA-N 340.375 3.477 30 1 EGEF biogenic COc1cc(/C=C/c2nc3cc(Cl)nc(C#N)c3[nH]2)cc(O)c1O 587786298 SHWKFDWCPLGZCE-NSCUHMNNSA-N 342.742 3.073 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(C(F)(F)F)N1 587703955 HZTACMHEOQFEMS-KSBSHMNSSA-N 340.114 3.079 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C=O)c(OCCCO)c1 587903943 WDXSLKVBKMWTAA-UHFFFAOYSA-N 344.794 3.322 30 1 EGEF C=CC[C@@]1(c2ccccc2F)N[C@H](C(=O)O)Cc2cccc(F)c21 962908006 KEPYEPYRBPNFRZ-LPHOPBHVSA-N 329.346 3.383 30 1 EGEF C/C(=N\NC(=S)Nc1ccc(Cl)cc1)c1nc2ncccc2[nH]1 18009047 MHSFNYLHBQHYNH-ZVBGSRNCSA-N 344.831 3.322 30 1 EGEF COc1ccc(C(O)=CC(=O)c2c(O)cc(OC)cc2OC)cc1 2356493996 OAYYEBBURGQLHF-UHFFFAOYSA-N 330.336 3.200 30 1 EGEF C=CCNC(=O)[C@](C=C)(CC)N(CC(C)(C)C)C(=O)c1cccnc1 28953415 XFTBWQDJYYXLLM-FQEVSTJZSA-N 343.471 3.207 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC(=O)C[C@H]2C)[C@H](O)[C@H]1OC(=O)C(C)=CC 2356515030 WVTQOHPHJQZYSY-SUQNTFLGSA-N 334.456 3.443 30 1 EGEF CC=C1CN2[C@H]3C[C@H]1[C@H](C=O)[C@H]2Cc1c3n(C)c2c(OC)cccc12 2356606475 RBNBEKDCSALFTN-SPUZQDLCSA-N 336.435 3.250 30 1 EGEF CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(O)c2)NC(=S)N1C 34778317 JGBBILLMZPWNFU-QGZVFWFLSA-N 338.432 3.410 30 1 EGEF in-vivo COc1cc(C#N)c(OC)n1-c1cc(F)c(Br)cc1F 587943917 SXHXVGCQEOFTQD-UHFFFAOYSA-N 343.127 3.407 30 1 EGEF COc1cc(N)c(C(=O)O)c(C#Cc2cc(Cl)ccc2OC)c1 587899843 HXVNYVISBJEOBZ-UHFFFAOYSA-N 331.755 3.037 30 1 EGEF O=C(NO)c1ccc(Cn2c3c(c4ccccc42)[C@H]2CCN(C3)C2)cc1 1772574938 FZZRVVJXMHNIMG-INIZCTEOSA-N 347.418 3.112 30 1 EGEF COc1cc(O)c(C(=O)/C=C\c2ccc3c(c2)OCO3)c(OC)c1 3965583 HAIRUBAWLBUWML-HYXAFXHYSA-N 328.320 3.034 30 1 EGEF C#CCCCn1c2ccccc2c2ccc3c(c21)C(=O)[C@H]1O[C@H]1C3=O 1857555049 OJFIPWRLQKIABV-LEWJYISDSA-N 329.355 3.354 30 1 EGEF CN(C)CC/N=C/c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 26151069 LMWLLWDZRQDGCU-LPYMAVHISA-N 329.403 3.427 30 1 EGEF C=C[C@](C)(O)CCC=C(C)[C@@H](O)CC=C(C)CC[C@H](O)C(C)(C)O 2356668422 PFPFSFZDWLOUQY-BJLQDIEVSA-N 340.504 3.259 30 1 EGEF CN1C(=O)c2c3c(cc4cccc1c24)C(C)(C)NC(=O)C[C@]1(C)O[C@@H]31 2356725014 GSLMEQPWGDWDKV-PXNSSMCTSA-N 336.391 3.015 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)C/C(C)=C/CC[C@@]1(C)O[C@@H]21 238769470 DWNHGPRUSBRDRF-KNFOMQKRSA-N 346.423 3.250 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C#N)n2)N1 587775048 YHPHPSASGSTOAX-XXFAHNHDSA-N 346.203 3.478 30 1 EGEF COC(=O)c1ccc2n[nH]c(C#Cc3cc(Cl)ccc3OC)c2c1 587913557 WNLOUSLYJOAPAS-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF Cc1ccc(/N=C/c2c(C)[nH]n(-c3nc4ccccc4[nH]3)c2=O)cc1 169330730 ROYLBVSOEBTEIM-RGVLZGJSSA-N 331.379 3.409 30 1 EGEF COc1ccc(-n2cnc(C#N)c2/N=C/c2ccc(O)c(OC)c2)cc1 169350314 PUOAEMXFCMUBRZ-SRZZPIQSSA-N 348.362 3.217 30 1 EGEF Cc1cn2cc(C(N)=O)cc2c(C#Cc2cccc(C(F)(F)F)c2)n1 29125266 PPVMZXMESIJREX-UHFFFAOYSA-N 343.308 3.160 30 1 EGEF C=C(C)[C@@H]1Oc2c(cc(C(C)=O)c(O)c2OC)[C@@H]1OC(=O)C(C)=CC 2356597239 AEOPRIJRFYKAQT-HOTGVXAUSA-N 346.379 3.491 30 1 EGEF CC(=O)N[C@@H](C)c1ccc(C#Cc2cnc(NC3CCC3)nc2)cc1 113414252 AVRULOVVIGELOX-AWEZNQCLSA-N 334.423 3.038 30 1 EGEF CC1=C2C(=O)C3=C([C@H](O)[C@@H]2OC1=O)[C@]1(C)CCCC(C)(C)[C@H]1CC3 2356852595 QRIJKODYPMIMSS-RXDRHKEWSA-N 330.424 3.095 30 1 EGEF CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(-c2cccc(F)c2)cc1 653794403 KGTUZYZLZHMVNW-MRXNPFEDSA-N 344.386 3.202 30 1 EGEF N#Cc1nc(Cl)cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c12 587166919 JXKCUKOJVRKMPL-WAYWQWQTSA-N 341.733 3.274 30 1 EGEF CCc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587887209 FQSZWWUSKLKXJB-UHFFFAOYSA-N 348.233 3.056 30 1 EGEF CC1=CC(=O)C=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587824614 XTXMPMAPPBFILS-MGPLVRAMSA-N 336.204 3.403 30 1 EGEF C=C1C(=O)O[C@H]2[C@H](O)C(C)=CCCC(C)=CCC[C@@]3(C)O[C@@H]3C[C@H]12 253650672 HVJGVUTXXJGUKC-HGJKNBTDSA-N 332.440 3.459 30 1 EGEF CCOC(=O)CSc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1 173713 XMSFKXBKYRDQGH-UHFFFAOYSA-N 349.799 3.029 30 1 EGEF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C=CC1=CC(=O)O[C@@H]1O 2356617613 KJASBNIUXGTDRP-XUMLPFHTSA-N 330.424 3.322 30 1 EGEF C#CCN1C(=O)[C@@]2(OCCC=C[C@@H]2C)c2c(Br)cccc21 66148535 GUVGFTQUWATYAW-SJCJKPOMSA-N 346.224 3.237 30 1 EGEF C=CCO[C@@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)CC1 73162133 SXDQWHVPWOGIRC-CHWSQXEVSA-N 325.206 3.330 30 1 EGEF CC(C)=CC[C@@]12OC(C)(C)[C@H]3C[C@H](C=C4C(=O)C[C@@H](C)O[C@@]431)C2=O 195411589 REMHECGSDXLQKX-MOYALWNFSA-N 330.424 3.152 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238780201 ZYKRXWIPMUJNME-OLQIGLHESA-N 346.423 3.010 30 1 EGEF biogenic COc1ccc(Cl)cc1C#Cc1cnc(N(C)C)c([N+](=O)[O-])c1 587909224 MWUMAWWXYBXERR-UHFFFAOYSA-N 331.759 3.118 30 1 EGEF C=CCONC(=C)[C@H]1C(=O)CC(C)(C)[C@@H](c2cccc(C)c2)C1=O 957684364 SJDUOMIEHUEUHU-ROUUACIJSA-N 327.424 3.484 30 1 EGEF CC[C@@]1(O)C[C@@H](O)[C@H]2[C@@H]3CC[C@@H]4CC(O)=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C 12493614 YXMCPINQJVUPGV-SIDQMQLBSA-N 348.483 3.372 30 1 EGEF endogenous,in-man CCNCC#CCCC(=O)[C@](O)(c1ccccc1)C1CCCCC1 13825054 IUNGTAONURCOTE-NRFANRHFSA-N 327.468 3.417 30 1 EGEF C=C(C)[C@@H](O)Cc1c(O)ccc(C(=O)C=Cc2ccc(O)cc2)c1O 2356504878 INVPDHNCDPICSJ-IBGZPJMESA-N 340.375 3.179 30 1 EGEF CC(=C[C@@H]1CC(C)=CC(=O)O1)CC[C@H](O)[C@H](C)C1=CC(=O)C(C)(C)O1 2356520396 LERGMWGUWISZLW-XHSDSOJGSA-N 348.439 3.234 30 1 EGEF C=C1C(=O)O[C@@H]2[C@H](O)C(C)=CCCC(C)=CCC[C@]3(C)O[C@@H]3C[C@H]12 2356583064 HVJGVUTXXJGUKC-KLBVCGFUSA-N 332.440 3.459 30 1 EGEF CCOC(=O)C(=O)/C=C\C(SCc1ccccc1)=C(/O)OCC 26660011 JWBKZDYKYDPKBM-GXOAGJTDSA-N 336.409 3.372 30 1 EGEF C[C@]12CC(=O)[C@]34C(=O)O[C@H](c5ccoc5)[C@@H]3[C@]4(C)[C@@H]1CC[C@@H]1O[C@]12C 2356751178 MXCWFIORGFVJPA-WETXMYDOSA-N 342.391 3.047 30 1 EGEF C[C@H](O)CC1=C(O)C2=C[C@@H]3OC[C@]4(C)CCC[C@](C)(C2=C(O)C1=O)[C@H]34 33807599 LTQUMHRNDPWQLR-QRPGGGEUSA-N 346.423 3.116 30 1 EGEF biogenic CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 586882182 LYNTYEMQJGTBQT-UHFFFAOYSA-N 342.358 3.235 30 1 EGEF N#Cc1cc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1C#N 587174205 GHKYJIURCBWCKM-HNNXBMFYSA-N 344.353 3.169 30 1 EGEF COc1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2cc1OC 587262453 UHEBURIHWMZUPK-UHFFFAOYSA-N 337.335 3.197 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)cn2)N1 587773620 RATOMJGOHLQFRB-XXFAHNHDSA-N 346.203 3.478 30 1 EGEF CC(CCC#N)(CCC#N)C(=O)CC(O)(C(F)(F)F)C(F)(F)F 1639214 MBHZNDOHESOXCU-UHFFFAOYSA-N 344.255 3.415 30 1 EGEF CNC(=O)OC1CSC(C#N)(c2ccc(Cl)cc2)SC1 103166817 NGYGVTNBVOIPHQ-UHFFFAOYSA-N 328.846 3.221 30 1 EGEF CC(C)CNC(=O)[C@]1(C)CCCCCN1C(=O)c1cc(C#N)cs1 61904102 AGXWNWGWVTZXGN-SFHVURJKSA-N 347.484 3.167 30 3 EGEF CC1=CC=C(C(C)C)C(=O)[C@@H](O)[C@H](C)CCC(=O)C(CO)=CCC1 2356561888 IVLQHBCLTSYTPN-BEFAXECRSA-N 334.456 3.143 30 1 EGEF CC(C)[C@]12CC[C@]34OC(=O)[C@]35CCCC(C)(C)[C@@H]5CC[C@@]4(O)[C@H]1O2 2356736023 RNKHTKYLFIGYTD-NQYOZRFVSA-N 334.456 3.207 30 1 EGEF CC[C@H](O)C=CC=CCC=C[C@@H]1[C@H]([C@@H]2CCCC(=O)O2)C[C@H]2O[C@@H]21 2356744354 YFHYWHWBWQBXAP-PYCASWLRSA-N 332.440 3.315 30 1 EGEF CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@@]2(C)CC1=O)O[C@H](C)C4 14765502 CEFJBQPEKNGIIU-SQFXPLBJSA-N 340.375 3.111 30 1 EGEF biogenic CN1CCc2c([nH]c3ccccc23)C2=C1C(=O)c1ccccc1C2=O 45283587 JJMWYMXHOOBYEX-UHFFFAOYSA-N 328.371 3.446 30 1 EGEF COCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1 40424153 VUXHDBFZTVRSRN-FCDQGJHFSA-N 348.406 3.383 30 1 EGEF CCCCCCCC(=O)O[C@@H]1C[C@H]2C[C@H](OC(C)=O)[C@@H](C1)N2C 43482256 GEBXVKMFYZIRIJ-HZMVEIRTSA-N 325.449 3.057 30 1 EGEF Cc1ccncc1N1CCN(c2cn(C)c3cccc(C#N)c23)C1=O 148100098 ASYINCCPEJRZLL-UHFFFAOYSA-N 331.379 3.200 30 1 EGEF COc1cc2c3c(c1)O[C@H](c1ccc(O[C@@H](C)C#N)cc1)[C@@H](C2)C3=O 587428319 NSBDRRYHHDDWMK-XITNVPRNSA-N 335.359 3.475 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)ccc1[N+](=O)[O-] 587901997 DOUOKRIDNCUVQI-UHFFFAOYSA-N 345.738 3.443 30 1 EGEF COc1ccc(Cl)cc1C#Cc1[nH]nc2ccc(C(=O)O)cc12 587913577 XMURQQLBJKVYEU-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF N#Cc1ccc(Oc2ccc(-c3cccc([C@H](O)CO)n3)cc2)cc1 114591466 VDMYHNAZWWEPTP-HXUWFJFHSA-N 332.359 3.438 30 1 EGEF CCO/N=C(\CCN1CCN(c2nccs2)CC1)c1ccccc1 36216730 JHVJCSPJYFYTJV-LVZFUZTISA-N 344.484 3.096 30 1 EGEF CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)O[C@H]1O 40880459 KJASBNIUXGTDRP-GDJISRORSA-N 330.424 3.322 30 1 EGEF CC(=O)NC(=O)[C@H]1C=C2C=CC=C[C@H]2O/C1=N\c1ccc(Cl)cc1 95803161 XGROSMBMTONSEV-NGSWGXEISA-N 342.782 3.100 30 1 EGEF CC[C@@H](C)C(=O)O[C@]12O[C@H]1C[C@]1(C)Cc3occ(C)c3C[C@H]1[C@]2(C)O 238735804 LKGZPVLMOLNTBC-KNFFVKDCSA-N 348.439 3.148 30 1 EGEF Cc1c(-c2nc3c(C#N)nc(Cl)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905449 PHWMOWIPQZHYGM-JTQLQIEISA-N 328.759 3.421 30 1 EGEF N#Cc1cc(Br)c2[nH]c(-c3ccc(O)c(C#N)c3)nc2c1 587187231 FPVUQSHKUFJDDH-UHFFFAOYSA-N 339.152 3.441 30 1 EGEF C=CCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587581825 NEQAFAGJNJPFIP-YLJYHZDGSA-N 348.358 3.478 30 1 EGEF CC(=O)NC[C@@H](C)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1 169706477 WCCXZRZOJZUVPX-OAHLLOKOSA-N 349.434 3.047 30 1 EGEF O=C(NO)c1cc(CCCCN2CCCc3cc(Cl)ccc32)on1 1857600406 NZVBOWXXZGVTAP-UHFFFAOYSA-N 349.818 3.223 30 1 EGEF CC(C)CC/N=C(\O)CCNC(=O)c1ccc(Br)o1 3017973 IGICBEQKMXRXHA-UHFFFAOYSA-N 331.210 3.165 30 1 EGEF COc1ccc(C(=O)/C=C(\O)c2ccc3c(c2)OCO3)c(OC)c1 102943589 MFEZQKKSZCXUBX-ZROIWOOFSA-N 328.320 3.214 30 1 EGEF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CCC5=CC(=O)CC[C@@]54C)[C@@H]2C[C@@H](O)[C@@H]13 2356484948 NEANQMHNHHJJNL-PPPPYPPESA-N 344.451 3.031 30 1 EGEF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@H](O)C(C)=CCC=C(C)CC[C@@H]2O 2356539432 OASCGMGKXPPAEW-JPLJXNOCSA-N 334.456 3.443 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(COC(=O)[C@H](C)CC)[C@@H](O)C[C@@H]12 2356585925 GFQXSAJTPGBBCT-XFKAJCMBSA-N 348.439 3.091 30 1 EGEF CC=CC=CC(O)=C1C(=O)[C@@]2(C)C(=O)[C@@](C)(O)[C@H]1C[C@H]2OCCCC 2356602982 SSIULBZZANASKU-KMTJZVEASA-N 348.439 3.045 30 1 EGEF CCC#CCOC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82086398 LCKMLITWJMXYDX-UHFFFAOYSA-N 331.393 3.398 30 1 EGEF C=C[C@]1(C)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@H]2C[C@H]1O 95913618 PEHMNBMSMKSSAA-XJUMGLGQSA-N 348.483 3.236 30 1 EGEF biogenic,in-vitro COC(=O)c1cccc(C#Cc2cc(Cl)ccc2OC)c1C#N 587899864 INSAQTVSSRRDPO-UHFFFAOYSA-N 325.751 3.407 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(F)c([C@@](C)(N)C(=O)O)c1 587915368 MOEFXTGCTHXCFL-GOSISDBHSA-N 347.773 3.146 30 1 EGEF C=CCC1=C[C@]2(OC)C(=CC1=O)O[C@H](c1ccc3c(c1)OCO3)[C@H]2C 13434857 GGRIWHJBFXFKGS-OITMNORJSA-N 340.375 3.477 30 1 EGEF biogenic,in-vitro N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)nc2)n1 204937157 BOVYVZINFCPMKS-MFKMUULPSA-N 344.806 3.029 30 1 EGEF CCCCN(CCCC)CCCNC1=CC(=O)c2ncccc2C1=O 101114118 DYIMWUCLECRKCE-UHFFFAOYSA-N 343.471 3.226 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](CF)(C(=O)O1)[C@@H]2[C@H]3C(=O)OC 2356583776 GTTGJFGTOPQRLF-JFMLXJOGSA-N 348.414 3.203 30 1 EGEF C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C[C@H]3OC3(C)C)COC(=O)[C@@H]12 238742366 LMFHJCCRCFDDMJ-UFFGJJOCSA-N 332.440 3.317 30 1 EGEF N#Cc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1O 587188092 ODMFDMKOHANOTG-UHFFFAOYSA-N 330.141 3.275 30 1 EGEF Oc1ccc(C#Cc2ccc(OCCOCCOCCF)cc2)cc1 28644635 LDKXTBFNBYFURI-UHFFFAOYSA-N 344.382 3.174 30 1 EGEF CC(C)C1=C[C@H](O)[C@](C)(O)CCC=C(CO)CC[C@H]2O[C@@]2(C)CC1 2356400577 CTMXVBYCUXIQDP-NMLBUPMWSA-N 338.488 3.111 30 1 EGEF C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CC[C@H](O)[C@]4(C)[C@@H]2CC[C@H]1C3 2356521369 UWEUEOYKRAUFAO-NVJKXMEMSA-N 332.440 3.190 30 1 EGEF C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@]2(C)C[C@@H]2C(=O)C=C(C)C(=O)C1 2356678188 WEJWONOQPGYTMK-XAMZUMDUSA-N 328.408 3.325 30 1 EGEF CC(=C[C@H](O)CC(C)=CCO)CCC=C(C)C(=O)C=CC(C)(C)O 2356686513 JHKUZYXDLVTBBJ-SFHVURJKSA-N 336.472 3.245 30 1 EGEF CCCCCCCCCCNC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 71335018 SXUCYJGHMYLLJJ-UGUYLWEFSA-N 325.449 3.122 30 1 EGEF C#CCOCc1nnc(S[C@H]2C=CCCC2)n1-c1cccnc1 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Cc1csc2c1/C(=N/N=C(N)N)C[C@H](c1ccccc1Cl)C2 13474691 HRBMIVZJZYCJTK-JGASNLTESA-N 332.860 3.417 30 1 EGEF COc1ccc(C(=O)NO/C(O)=C/C(C)=N/Cc2ccccc2)cc1 103540375 QNKCTDDTYJXPSP-GGHXPAJASA-N 340.379 3.417 30 1 EGEF Cc1ccc(N/C(O)=N/S(=O)(=O)c2ccc3occc3c2)cc1 28021189 SDFMGGIATKHBFU-UHFFFAOYSA-N 330.365 3.456 30 1 EGEF CC=CC=CC(O)=C1C(=O)[C@@]2(C)C(=O)[C@@](C)(O)[C@H]1C[C@@H]2OCCCC 2356602984 SSIULBZZANASKU-RGGPIECMSA-N 348.439 3.045 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@H](OC(=O)C=C(C)C)[C@@H]1O 254216467 JGLTUIDSFQWPBH-AZFOIECZSA-N 336.472 3.235 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc([C@@H]2CNC(=O)C2)c1 587905551 ZDDINRQHJZNQPQ-INIZCTEOSA-N 325.795 3.352 30 1 EGEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2nc(Br)c[nH]c-2n1 587190958 LTHWDCZRGZDKII-MRVPVSSYSA-N 344.172 3.079 30 1 EGEF CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)on1)CC2=O 587484391 OKRMLNBQLMJITF-GOSISDBHSA-N 326.352 3.416 30 1 EGEF C=CCN1c2cc(F)ccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F 3963046 TXQUTOBSQIXUSA-MRXNPFEDSA-N 338.304 3.485 30 1 EGEF COc1cccc(Oc2ccc(/C(=N/O)N3CCSC3)cn2)c1 72142681 BNMCAVLYFHEQTN-VLGSPTGOSA-N 331.397 3.025 30 1 EGEF CC1(C)[C@@H]2C/C(=N\O)[C@@](C)(/[N+]([O-])=C/c3cccc([N+](=O)[O-])c3)C[C@H]21 263592063 IAEAEBWWPMMKPU-DAUYIBCQSA-N 331.372 3.179 30 3 EGEF C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@]4(C)C(=O)[C@H](C#N)C[C@@]35C)[C@@H]1CC[C@H]2O 299847708 BVWBEKKUVJYZSX-OFIGHDNNSA-N 343.467 3.230 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)CC(=O)/C1=C/N(C)C)O2 587387713 SJPRHUTVMJVBGW-JYHGAKRHSA-N 342.439 3.116 30 1 EGEF C#CCOc1ccc(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)cc1 587564807 XCBJKIFOTUWRDK-UHFFFAOYSA-N 336.347 3.037 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(cc1CO)OCCO2 587908146 UTUGFLJAHMPDMW-UHFFFAOYSA-N 330.767 3.012 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)CC(=O)/C1=C\N(C)C)O2 587387712 SJPRHUTVMJVBGW-HKFHZZIHSA-N 342.439 3.116 30 1 EGEF COC1=CC(=O)c2cc3c(cc2C1=O)[C@]1(C)CCCc2coc(c21)C3=O 13603679 RXKXFLSPTKPVON-NRFANRHFSA-N 348.354 3.376 30 1 EGEF biogenic C=C1C(=O)[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@]1(O)C3 1616088 CAZYNLSCRWNLPJ-YUEHCAIXSA-N 346.467 3.422 30 1 EGEF C=C1C/C=C\[C@@](C)(O)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12 105576365 BLNSXPSESOVHJK-MWFHCSOTSA-N 332.440 3.076 30 1 EGEF C[C@@H]1CO[C@]2(C)OC3=C(C[C@H]12)C(=O)C1=C(C3)O[C@]2(C)OC[C@H](C)[C@@H]2C1 2356484690 DHNCDYKKHYKXJZ-DMYRLOGNSA-N 346.423 3.305 30 1 EGEF COC(=O)[C@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@@H]2C)CN1 33913689 MVBWBQNHPLNREC-SZNDQCEHSA-N 339.435 3.147 30 1 EGEF C[C@H](CCOc1ccc2ccc(=O)oc2c1)CC(=O)[C@H]1OC1(C)C 13374346 FTHMKILNIWLGQE-KZULUSFZSA-N 330.380 3.335 30 1 EGEF biogenic N#Cc1cnc(NC(=O)c2ccc(COc3ccccc3)o2)s1 95755496 LJOSTWNTFIECQA-UHFFFAOYSA-N 325.349 3.439 30 1 EGEF C=C1C(=O)O[C@@H]2C/C(C)=C/CC[C@@](C)(O)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 238736251 QMKCRYHPZVAORM-ZKPCPJSKSA-N 332.440 3.459 30 1 EGEF Cc1cccc(N/N=C2/C(=O)c3cccc([N+](=O)[O-])c3N=C2O)c1C 96910609 DWKRSUNJXRPQMD-HKWRFOASSA-N 338.323 3.464 30 1 EGEF COCC1=C(C(=O)OC)[C@H](c2ccccc2Cl)[C@@H](C#N)C(C)=N1 169724038 MVBBGECPMAQJJJ-SWLSCSKDSA-N 332.787 3.111 30 1 EGEF N#Cc1ccc(-c2csc(=N[C@H](Cc3ccccc3)C(=O)O)[nH]2)cc1 1857646803 BZOGUBFUKIXNPT-MRXNPFEDSA-N 349.415 3.211 30 1 EGEF CC=C(C)C(=O)O[C@@H]1c2ccoc2C(=O)C2=C[C@H](O)C[C@@H](C)[C@]21C 2356338374 VWUPQZXUHCYORA-JRIXGKFYSA-N 330.380 3.360 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C[C@]2(C)O[C@]23C[C@@H]2[C@H](C[C@H](C)[C@@H]13)OC(=O)[C@@H]2C 2356586736 MDEMEQWVIWOHHX-NGRCIISNSA-N 348.439 3.020 30 1 EGEF C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@H](C)CC)=C/C[C@H]12 137737789 VQRWOFINNQGFFG-ZLSWTXPCSA-N 348.439 3.093 30 1 EGEF C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2CC1 84690818 LKLFXWMFYTWMGH-HBBOLCLYSA-N 333.472 3.308 30 1 EGEF Cc1c(C#N)c(O)nc(O)c1N=Nc1ccc(Cl)c(C(=O)O)c1 253915725 LGYNOESEQBFYSN-UHFFFAOYSA-N 332.703 3.440 30 1 EGEF O=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@@H]([C@H]2CCC(=O)O2)C1 2356416224 MBHNJSJYNWLBSY-HUUCEWRRSA-N 336.343 3.158 30 1 EGEF CCCCCCCCc1ccc2c(c1)CCCN2CC(N)(CO)CO 114103001 OQLDBWHCEASUAB-UHFFFAOYSA-N 348.531 3.024 30 1 EGEF C#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 117618086 SBNIFNIWELRBRA-UTKZUKDTSA-N 341.414 3.489 30 1 EGEF N#C[C@H]1C(=O)NC2=C(CCc3ccccc32)[C@H]1c1cccc([N+](=O)[O-])c1 26666361 XKSNMCMXEVQOCT-QZTJIDSGSA-N 345.358 3.305 30 1 EGEF Cc1ccc(/C(=N/O)N2CCSC2)c(OCc2ccccc2)n1 72181081 YQRXQHFDOJNJFF-MNDPQUGUSA-N 329.425 3.111 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2cc(C(=O)O)[nH]c2c1 587910394 YMYWXHUQRNBLSK-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF CCCN1[C@H](C)Cc2ccccc2[C@]12C(=O)Nc1cc(C#N)ccc12 963245135 ZSZUQTGFYXFZGL-SZNDQCEHSA-N 331.419 3.411 30 1 EGEF Cc1ccsc1C(=O)N1CC[C@]1(C)C(=O)Nc1cccc(C#N)c1 61895618 YKEXPVGFTYMOJO-GOSISDBHSA-N 339.420 3.172 30 3 EGEF O/C(=N\CCc1ccccc1)c1nc(-c2cccs2)nc(O)c1O 28644913 YIJIHQLVOLKLDA-UHFFFAOYSA-N 341.392 3.164 30 1 EGEF CC1=C[C@@H]2OC[C@](C)(O)C2=CC[C@](C)(O)C=CC[C@@]2(C)O[C@@H]2CC1 2356795645 MIBUYZPWLCLWSC-MFKWGIFDSA-N 334.456 3.048 30 1 EGEF COc1ccc2nc(C)cc(N/N=C/c3ccc([N+](=O)[O-])o3)c2c1 45302091 KRVATPHOJZWNQJ-RQZCQDPDSA-N 326.312 3.499 30 1 EGEF C=CC[C@@]12C[C@]3(OCOC3=CC1=O)[C@@H](C)[C@@H]2c1ccc2c(c1)OCO2 473134468 CPRHYOIFRQCXFD-ZBESKMTNSA-N 340.375 3.311 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(CC(N)=O)c2c1 587907190 GDRMPOCKSJSAFA-UHFFFAOYSA-N 338.794 3.258 30 1 EGEF FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cnncc2[nH]1 587090529 XFZOHWIMVNDYQJ-UHFFFAOYSA-N 338.133 3.278 30 1 EGEF COC(=O)c1cn2cc(C#Cc3cc(Cl)ccc3OC)ccc2n1 587912884 QIBKMJISXPZAGK-UHFFFAOYSA-N 340.766 3.183 30 1 EGEF O=C1C=CN(Cc2ccc(F)cc2)C(=O)[C@H]1Cc1ccc(F)cc1 957654789 VXEIFCAOBORRHU-KRWDZBQOSA-N 327.330 3.249 30 1 EGEF C=C1[C@H]2CC[C@]3([C@H]1O)[C@H](O)C[C@@H]1[C@](C)(C(=O)OC)CCC[C@]1(C)[C@H]3C2 2356567277 OBIAEZKGQYQFCQ-NBIHWCMBSA-N 348.483 3.070 30 1 EGEF C=C1CC[C@@H]2O[C@]2(COC(=O)/C(C)=C\C)[C@@H](O)C[C@@H]2[C@@H]1CC2(C)C 238744843 PLGNMEYDFUAPRS-YIGIUPQPSA-N 334.456 3.397 30 1 EGEF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C#N)cc(Cl)c2[nH]1 587094177 LRKONTFZVNIIBG-ZCFIWIBFSA-N 330.697 3.218 30 1 EGEF COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1 587889776 XZOXAFDPRGRQLK-UHFFFAOYSA-N 349.217 3.107 30 1 EGEF COc1ccc2nccc(C(=O)C3=CC=C4C=[N+]([O-])CC[C@H]4C3)c2c1 205757660 GKESNYMSGGDMNU-ZDUSSCGKSA-N 334.375 3.284 30 1 EGEF CC1=C[C@H](O)C[C@]2(C)O[C@H]2C[C@@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1 2356333511 SMDIJQJOQYXYQB-HMGBVJPOSA-N 338.488 3.350 30 1 EGEF O=C(Nc1ccc(Cl)cc1)[C@@]12C[C@@H]1/C(=N\O)c1ccccc1O2 66260005 ZRURMLHGCOJTNX-VHMUTBNBSA-N 328.755 3.308 30 1 EGEF in-vivo C=C1C[C@H](O)C=C(C)CC[C@H]2C(=CC=CC(C)(C)O)COC(=O)[C@@H]12 2356576267 UQKDIHVSLOQHAL-SQNIBIBYSA-N 332.440 3.076 30 1 EGEF CCCCCCCCOc1ncnc2c1ncn2[C@H]1CC[C@H](CO)O1 43366056 SHEIEKNNXURUHR-HUUCEWRRSA-N 348.447 3.236 30 1 EGEF N#Cc1ccc([C@@](O)(c2cocn2)C(F)(F)F)cc1C(F)(F)F 653885928 AUBZQPZCKXOXRO-LLVKDONJSA-N 336.191 3.363 30 1 EGEF C=CCn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587885311 FACGFBBDFNGXGO-UHFFFAOYSA-N 348.233 3.086 30 1 EGEF CN(C)C(=O)[C@]1(C)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963196021 QAPVNXPKERIJBL-CTNGQTDRSA-N 333.435 3.113 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(/C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 169300753 QFINJHBXXJQKPB-DCUQRRHKSA-N 346.423 3.010 30 1 EGEF CC(C)c1nc(C(=O)N2CCOCC2)c(-c2ccc(C#N)cc2)s1 1857609788 CSOURYQHQCDTJU-UHFFFAOYSA-N 341.436 3.278 30 1 EGEF C[C@@H]1C[C@@H](c2ccc(C#N)c3ncccc23)CN(C[C@@H]2CCN(C)C2)C1 1857773636 FDVMJVKEBUYLKY-ZHALLVOQSA-N 348.494 3.484 30 1 EGEF C[C@@H]1O[C@](C#CC2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O 6494581 CXFITMZADXBGRR-VFZGTOFNSA-N 327.277 3.354 30 1 EGEF COc1ccc2cc1Oc1ccc(cc1)[C@@H]1O[C@@H]1COC(=O)CC2 26737794 KSQLEJQOXHLRAH-MJGOQNOKSA-N 326.348 3.417 30 1 EGEF O=C1C=C/C(=C2/Nc3ccccc3N/C2=C2\C=CC(=O)C=C2O)C(O)=C1 104190081 WFRKSOVBQNXHSD-LRVMPXQBSA-N 346.342 3.194 30 3 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)C=C(C)C)[C@@H]12 2356624155 SSNIKFYEQNIUHF-XGXHKWSGSA-N 346.423 3.010 30 1 EGEF COc1ccc(C#Cc2cnc(Cl)c3cncnc23)cc1OC 36380987 LVBDVDXRXLLTDN-UHFFFAOYSA-N 325.755 3.095 30 1 EGEF O=[N+]([O-])c1ccc2[nH]c(O)c(N=N/C(S)=N/C[C@H]3CCCO3)c2c1 253947096 MMQIWRZEEWTZDF-SECBINFHSA-N 349.372 3.330 30 1 EGEF C=CC[C@]1(CNC(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 587470382 MEVXEPNELWGWPK-LJQANCHMSA-N 347.411 3.371 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cn2cc(C(=O)O)nc2cc1C 587912621 LVVWXACMUHOOBG-UHFFFAOYSA-N 340.766 3.403 30 1 EGEF Brc1nccc2[nH]c(C=NOCc3ccccc3)nc12 587190352 NFHGOXKUDOQDFV-UHFFFAOYSA-N 331.173 3.271 30 1 EGEF Cc1ccc(C(=O)/C=C/c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587965250 IQHMTRCOFNRNHO-CMDGGOBGSA-N 342.376 3.014 30 1 EGEF N#Cc1ccc(-c2nnc(-c3ccc([S@](=N)(=O)O)cc3)o2)cc1 1857534105 KUHKXZKGLOMKIE-UHFFFAOYSA-N 326.337 3.154 30 1 EGEF CC(=C[C@@H]1CC(C)=CC(=O)O1)CCC[C@@H](CO)C1=CC(=O)C(C)(C)O1 2356416682 BRJHUZQYQKIANE-JKSUJKDBSA-N 348.439 3.235 30 1 EGEF Cc1cc(O)nc(SCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1C#N 101952909 YGTZTYURKUODOD-REWJHTLYSA-N 345.468 3.000 30 1 EGEF C=C1CC=C[C@](C)(O)CC[C@@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@H]12 2356495707 BLNSXPSESOVHJK-MDYRTPRTSA-N 332.440 3.076 30 1 EGEF C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)[C@H](O)C[C@@H]12 4897109 GVKVGOGUDSJCLX-RZTRGMPVSA-N 328.452 3.439 30 3 EGEF biogenic C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)CC[C@@H](O)[C@]3(C)[C@@]2(O)CC1 85932114 WHYSSVCGJDEXGB-HOLAOCEGSA-N 332.440 3.212 30 1 EGEF Cc1ccc(C(=O)/C=C/c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587964693 BGQMKFJGOUEHAA-MDZDMXLPSA-N 340.404 3.171 30 1 EGEF N#Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587589543 XWFDHRZHQIBVJD-FXAWDEMLSA-N 344.326 3.362 30 1 EGEF O=c1c(/C=N/c2cc(O)nc(S)n2)coc2c1ccc1ccccc12 13108979 UAYMKVKOOQOLLF-UFWORHAWSA-N 349.371 3.481 30 3 EGEF CC1(C)Oc2ccc(C#N)cc2[C@@](C)(C(=O)Nc2ccccc2)C1=O 13650099 NTTHGLAMOIOUSL-HXUWFJFHSA-N 334.375 3.195 30 1 EGEF COc1cc2c(cc1OC)C(=O)/C(=C/[C@@H]1C[N@]1Cc1ccccc1)C2 1857628739 UQDADZYITBDQEY-OURRPVIKSA-N 335.403 3.253 30 1 EGEF COc1ccc(C=C2Oc3cc(OC)c(O)c(OC)c3C2=O)cc1 2356501956 SDBGODOJRLLNSU-UHFFFAOYSA-N 328.320 3.034 30 1 EGEF CCCCCCC/C=C(\C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O 49881764 JFFANXXIOVCBBG-PYIPWEHNSA-N 339.476 3.366 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H]3C=C(CO3)C[C@H](OC(=O)/C(C)=C\C)[C@H]12 525915232 KQMSJUFMXUJRPL-VDBDKCPVSA-N 344.407 3.028 30 1 EGEF biogenic C[C@@H](O)[C@@H]1C[C@@H](O)[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257507419 OVQSVMZESAVYPN-VAPWBQFASA-N 332.484 3.486 30 1 EGEF endogenous,in-man Cc1ccc2c3c(c(CC=O)c(C(=O)O)nc13)-c1ccccc1C2=O 587102237 ZQUMKBRFAKQOFO-UHFFFAOYSA-N 331.327 3.194 30 1 EGEF COc1ccc(OCC#N)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587387267 PJZYNUKKQWKAQO-SFHVURJKSA-N 338.363 3.195 30 1 EGEF CCCCCCCC(=O)NCCCc1nc2ccc(C(N)=O)cc2[nH]1 587228047 GMEHTLHMWVBWLO-UHFFFAOYSA-N 344.459 3.071 30 1 EGEF COC1=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2C1=O 587442729 NLELFBPGVMJQDS-VFNWGFHPSA-N 348.354 3.065 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C[C@@H](C#N)CO)cc1 587906143 RZWBCPYXFIZRDN-INIZCTEOSA-N 325.795 3.423 30 1 EGEF Cc1cccc(C)c1Cc1nc(N)nc(Nc2ccc(C#N)cc2)n1 5931270 XLXOIDHGKDOHRV-UHFFFAOYSA-N 330.395 3.277 30 1 EGEF C=C1CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@H]2C(=C)CC[C@@H]1O 15119072 DKAXGACCDFMXHY-ZZCQCBSDSA-N 332.440 3.076 30 1 EGEF O=C(NO)c1ccc(Cn2cc(CN3CCCC3)c3ccccc32)cc1 1857613896 MMKIXMJBZVVFRQ-UHFFFAOYSA-N 349.434 3.404 30 1 EGEF C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](CO)C[C@]4(C)[C@H]3CC[C@@]21C 6067922 JGJFMZZHCOKXHX-ZHPKKFHLSA-N 342.479 3.101 30 1 EGEF world CCN(CC)C/C(O)=N/c1nc2cc3nc(N)sc3cc2s1 27109660 OEINPUBJWQCGQI-UHFFFAOYSA-N 335.458 3.418 30 1 EGEF Cc1ccc2oc(=O)c(C[C@H](Cc3ccccc3)C(=O)NO)cc2c1 28979017 UOINUECLJZQMHR-INIZCTEOSA-N 337.375 3.008 30 1 EGEF N#Cc1cc2cccnc2nc1N1CCN(c2ccc(Cl)cc2)CC1 28377340 ARXGKPLVLVQASH-UHFFFAOYSA-N 349.825 3.481 30 1 EGEF CC(C)=CCC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)O[C@@H]2CC=C2C(=O)OC[C@@H]21 2356427308 VWLSFZIMFNLSBI-GFTCLSJWSA-N 334.456 3.397 30 1 EGEF CC[C@H](C)CO[C@@H]1[C@@H]2[C@H](C[C@H](C)[C@@H]3C=CC(=O)[C@@]31C)OC(=O)[C@@H]2C 2356726281 JOPZTFJFJCQWRK-OVNVXXEHSA-N 334.456 3.397 30 1 EGEF C/C(=C/Cc1c(O)ccc(C(=O)/C=C\c2ccc(O)cc2)c1O)CO 215355278 GDGQOBRQTUPPDO-FAMTTZIYSA-N 340.375 3.181 30 1 EGEF CC(=O)C1=CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 255272402 UYGZZVKOVWATFR-HNMUMZIOSA-N 326.436 3.390 30 1 EGEF CC1(C)CC(=O)C2=C(C1)OC(=N)[C-](C#N)[C@@H]2c1ccccc1[N+](=O)[O-] 169688700 SWFLSCPGPXKRFE-HNNXBMFYSA-N 338.343 3.427 30 1 EGEF CCCNC[C@@H](O)CO/N=C1\CCCOc2ccc3ccccc3c21 26850205 VRFIRCHYNFYCFX-XEFZIOHMSA-N 342.439 3.094 30 1 EGEF CCOC(=O)C(/C=N/c1cc(C)nn1-c1ccccc1)=C(/O)OCC 101937051 DYULNZITCSVEBQ-OISSKHQPSA-N 343.383 3.252 30 1 EGEF O=C1C=C(SCCC(=O)N2CCCCC2)C(=O)c2ccccc21 26738260 ZVAZZKXFMMKRAH-UHFFFAOYSA-N 329.421 3.085 30 1 EGEF N#Cc1nc(NCC(F)F)c2ncn(-c3cccc(Cl)c3)c2n1 36380043 CISOROIGAWOTSX-UHFFFAOYSA-N 334.717 3.018 30 1 EGEF C=C1[C@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)C[C@@H]12 238763836 KNXRRYNSMUERBP-DDACKWAISA-N 332.440 3.219 30 1 EGEF COc1cc(/C=C/C=N/CCc2ccc(O)cc2)cc(OC)c1O 653894864 WXSQXDKHQYMVHI-NMBSHBQSSA-N 327.380 3.442 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(F)c2c1NC(=O)C2=O 587917815 RNBDTRKICUYBFK-UHFFFAOYSA-N 329.714 3.022 30 1 EGEF CCCc1cc(C#N)ccc1/N=c1\c(O)c(O)\c1=N/[C@H](C)C(C)(C)C 13806478 AVKULJALDNXPMJ-DFGOKKNXSA-N 339.439 3.365 30 1 EGEF O=C(CCc1csc(CCc2ccc(C(F)(F)F)cc2)n1)NO 1857616275 NITSVWDWLCUZRJ-UHFFFAOYSA-N 344.358 3.385 30 1 EGEF CCCCCCCC(=O)N[C@@H](COP(=O)(O)O)c1ccccc1 1549227 RNFPGZDJLXRYHX-HNNXBMFYSA-N 343.360 3.314 30 1 EGEF N#Cc1c(N2CCN(c3ccccc3)CC2)cc(-c2ccco2)oc1=O 28703361 JQBOGVDLWCZCJN-UHFFFAOYSA-N 347.374 3.098 30 1 EGEF Cc1cc(NC(=O)[C@@](C)(O)CSc2ccccc2)ccc1C#N 28086004 MUFCAJBKUCZCGK-SFHVURJKSA-N 326.421 3.349 30 1 EGEF NC(=S)N/N=C1/CCC[C@@H](c2ccc(Br)cc2)C1 40567050 QKWJTFCTYHFCFT-YZWBREFASA-N 326.263 3.296 30 1 EGEF CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C\C1=C[C@H](O)OC1=O 238764523 AJJYJDWULCXJIR-VFDKLEFZSA-N 330.424 3.322 30 1 EGEF N#CC[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586020 APFQVGINBANEEC-YLJYHZDGSA-N 346.342 3.491 30 1 EGEF COc1cc(Nc2nc(C)cc(N3CCC[C@@H](C#N)C3)n2)ccc1F 1857768585 UCRZYUXXKQVFBF-ZDUSSCGKSA-N 341.390 3.416 30 1 EGEF C#C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(-c2ccccc2)cc1 2356304974 JCFQXVYFIWOKOW-WTNAPCKOSA-N 344.458 3.427 30 1 EGEF O=C1C(c2ccc(O)cc2)=C(Br)c2c(O)cc(O)cc21 28473111 ARAVJEDSAIPJMV-UHFFFAOYSA-N 333.137 3.263 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC[C@](C)(O)C=CC[C@]3(C)O[C@@H]3C[C@H]12 2356561135 QMKCRYHPZVAORM-QKMNUUQDSA-N 332.440 3.459 30 1 EGEF CC=C(C)C(=O)Oc1cc(C)ccc1[C@@]1(COC(=O)C(C)C)CO1 2356655046 VCVMMEZVZPFGOV-LJQANCHMSA-N 332.396 3.291 30 1 EGEF CCC/C(=N\N=C(/S)N1CC2CCC(CC2)C1)c1cccnn1 26973165 WPBJPLUSWFNFDL-HMMYKYKNSA-N 331.489 3.389 30 1 EGEF Cc1ccc(-n2cc(Cn3cc(/C=N/O)c4cccnc43)nn2)cc1C 653709118 IHTVFZXZKQJKQX-ZVBGSRNCSA-N 346.394 3.090 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)N(C)C(=O)CO2 587908875 KODCCHKBMMYLDN-UHFFFAOYSA-N 327.767 3.104 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(/C=C/C(N)=O)c(F)c1 587916037 ANVIGCRCQRTMNO-RMKNXTFCSA-N 329.758 3.386 30 1 EGEF C#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587587419 MSKNABYFAIBDMG-RXVVDRJESA-N 343.338 3.471 30 1 EGEF CNCc1cc(C#N)cc(OCc2ccc3c(C)cc(N)nc3c2)c1 1772612110 NLOWGCVMDAJXMN-UHFFFAOYSA-N 332.407 3.296 30 1 EGEF C=C1[C@H]2[C@@H](CO)C[C@@](C(=O)CCc3ccccc3)([C@@H]2OC)C1(C)C 2356381521 PSGRNASJIVXJTO-WQZMEWCLSA-N 328.452 3.414 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H]3C=C(CC[C@@H]4O[C@@]4(C)CC[C@H]12)C(=O)O3 2356354156 GKZBZZYALRNEFE-NEHHDPPZSA-N 344.407 3.004 30 1 EGEF COc1ccc(/C=C(/C(=O)c2ccc(F)cc2F)n2cncn2)cc1 103237253 YTPIMXUVVFPPPN-IUXPMGMMSA-N 341.317 3.446 30 1 EGEF Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@H]2C#N)cc1 61959008 JVAXTJWVLHEJGE-VKTYXVGESA-N 344.480 3.190 30 3 EGEF COc1c2c(cc3c1COC3=O)O[C@](C)(CC(=O)C=C(C)C)CC2 2356622851 OCHCNUKKKNZUFY-IBGZPJMESA-N 330.380 3.375 30 1 EGEF CO[C@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)C1 210756075 XDLWXDDVQIGMJO-HNNXBMFYSA-N 333.395 3.112 30 1 EGEF COc1cc(OC)c2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 72108227 CVKDSGICIOMAGA-IUXPMGMMSA-N 342.347 3.337 30 1 EGEF in-vitro C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccncc4)[C@H]3C[C@H]12 82052837 WOKZYNDYKZBGGS-TWHPPBISSA-N 340.467 3.485 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C(F)F)N1 587717821 GRFPRKDDMFGLFK-FUXBKTLASA-N 333.151 3.496 30 1 EGEF N#Cc1cc(Br)c2[nH]c([C@H](N)c3ccsc3)nc2c1 587025809 RMSWRIMMDGAMFT-LLVKDONJSA-N 333.214 3.307 30 1 EGEF COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587887706 ZBJFHWXTKLMGFR-UHFFFAOYSA-N 349.217 3.107 30 1 EGEF N#Cc1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005804 UELNEDIJBYEHDM-UHFFFAOYSA-N 334.564 3.307 30 1 EGEF COC1=CC=C/C(=C\Nn2c(C3CCCCC3)n[nH]c2=S)C1=O 13123190 QGYUXKHAQZEGTA-ZRDIBKRKSA-N 332.429 3.085 30 3 EGEF COc1cc(OC)c(C(=O)/C=C/c2ccc(C(=O)O)cc2)c(OC)c1 13827233 ICJRDTXRRVFKNB-RMKNXTFCSA-N 342.347 3.307 30 1 EGEF CC(C)=CC[C@@]12OC[C@H]3C[C@@H](C=C4C(=O)c5ccccc5O[C@]431)C2=O 1857539874 SLIFDTIWOXWVKF-ZVLVQXPOSA-N 336.387 3.271 30 1 EGEF C=C1CC[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H](OC(=O)C(C)=CC)[C@@]2(C)CC[C@H]1O2 2356395794 WUBQZNVZKOWOKO-VQDVGPPSSA-N 348.439 3.330 30 1 EGEF CCc1cc(C#N)ccc1Nc1c(N[C@H](C)C(C)(C)C)c(=O)c1=O 103010241 KDOHDKFUZYPGPN-LLVKDONJSA-N 325.412 3.307 30 1 EGEF COc1cc2c(c(O)c1CC=C(C)CC(=O)C=C(C)C)COC2=O 2356460749 IDSCVDJWBRGNKG-UHFFFAOYSA-N 330.380 3.485 30 1 EGEF C=C1C[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=CC)C=C(C)CC[C@@H]1O 2356635101 UPYSSTOWRYYTEG-XWTMOSNGSA-N 346.423 3.010 30 1 EGEF CC(C)(C)OC(=O)N1CC(c2[nH]c3cc([N+](=O)[O-])ccc3c2C#N)C1 587648699 KACOTESURGCJOL-UHFFFAOYSA-N 342.355 3.282 30 1 EGEF N#Cc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1C#N 587041746 PDDHRWVUHLSXGK-QZTJIDSGSA-N 345.431 3.253 30 1 EGEF N#Cc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1C#N 587122012 BEABARPDFSONFY-UHFFFAOYSA-N 325.278 3.012 30 1 EGEF N#Cc1ccc(-c2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1 13677142 NGZAMGJPVCXVAA-UHFFFAOYSA-N 332.359 3.168 30 1 EGEF C=C1C(=O)OC[C@H]1[C@H](O)c1cn(Cc2ccccc2)c2ccccc12 1857547791 JQQWSATWNPDPGK-UYAOXDASSA-N 333.387 3.452 30 1 EGEF CC1=C[C@@H](O)C[C@@]2(C)O[C@@H]2C[C@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1 1857627392 SMDIJQJOQYXYQB-PJBUMPDVSA-N 338.488 3.350 30 1 EGEF Cc1coc2c(C)c3oc(=O)c(CC(=O)N=C4N=CC=N4)c(C)c3cc12 2356307841 XLDQGRCYIPXXJG-UHFFFAOYSA-N 349.346 3.045 30 1 EGEF C[C@@H]1CCCC(=O)CCC[C@H]2O[C@@H]2c2cc(O)cc(O)c2C(=O)O1 2356723052 XKWUXCYGZAULIC-IGGJQXEISA-N 334.368 3.006 30 1 EGEF COc1ccc(C=CC(=O)c2c(O)n(C)c3ccccc3c2=O)cc1 2356815103 COUUSKVONBBWHP-UHFFFAOYSA-N 335.359 3.149 30 1 EGEF C#CCN1C(=O)[C@]2(OCCC=C[C@H]2C)c2c(Br)cccc21 36381889 GUVGFTQUWATYAW-SJKOYZFVSA-N 346.224 3.237 30 1 EGEF C=CCN1CC[C@]23CC(=O)C[C@H](C)[C@H]2[C@H]1Cc1ccc(OC)cc13 40802690 VFXSXBAGAAWZPC-MYDCNYLUSA-N 325.452 3.365 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(CN[C@@H](C)CO)c1 587904162 DCJXIMWWQZSCNW-AWEZNQCLSA-N 329.827 3.219 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C[C@@H](C(=O)O)O2 587908584 BZEHYEPJMOMRDF-KRWDZBQOSA-N 328.751 3.137 30 1 EGEF CCC(=O)/C(=C/c1ccc(OCC(=O)O)c(Cl)c1Cl)C(C)=O 169340592 GWRARAWMLRQKLN-UXBLZVDNSA-N 345.178 3.408 30 1 EGEF O=C(NO)c1cnc(Nc2cc(Cl)cc(C(F)(F)F)c2)nc1 166675496 SDZXUSAPQJVRCQ-UHFFFAOYSA-N 332.669 3.011 30 1 EGEF CCO/C(O)=C1/C(=O)CC2=C(C(=O)OC2)[C@H]1c1ccccc1Cl 101007600 PRNXSFBPIPRLRI-XEVXXXDWSA-N 334.755 3.056 30 1 EGEF CC1=C(c2ccccc2)N(c2ccccc2)C(=O)/C(=C(/C)NO)C1=O 104026502 MJSKOZWOSQTHCI-VKAVYKQESA-N 334.375 3.286 30 3 EGEF O=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@H]([C@@H]2CCC(=O)O2)C1 2356416223 MBHNJSJYNWLBSY-GJZGRUSLSA-N 336.343 3.158 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@@H](OC(=O)C(C)=CCO)[C@@H]12 2356553191 QXVGANVELOYXEZ-KZNAEPCWSA-N 346.423 3.011 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)[C@H](OC(=O)C(C)=CC)C[C@@H]12 2356691433 JMTACQPPCMADFS-WNRNVDISSA-N 346.423 3.010 30 1 EGEF C/C(=N\N=C(/S)N1C[C@H](C)O[C@@H](C)C1)c1nccc2ccccc12 27983434 FOUVAPGMPIIRSJ-WLLDEQDTSA-N 342.468 3.354 30 1 EGEF COc1cc(/C=N/Nc2nc(C)c(C(C)=O)s2)cc(OC)c1OC 96937529 IULVWCSWFBMHJK-CAOOACKPSA-N 349.412 3.126 30 1 EGEF O=C(/C=C(O)\C=C/c1ccc(O)cc1)C[C@@H](O)c1ccc(O)cc1 238788180 KCCQFTTZQGVDFQ-UHSNMTAISA-N 326.348 3.246 30 1 EGEF CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)on1)CC2=O 587484393 OKRMLNBQLMJITF-SFHVURJKSA-N 326.352 3.416 30 1 EGEF COc1cc(CCC(=O)CC(=O)/C=C/c2ccc(O)cc2)ccc1O 13412582 MCERWWPBQHGSTL-RUDMXATFSA-N 340.375 3.281 30 1 EGEF Cc1ccc(-c2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)cc1 14947612 GWCKOCPJRXIULI-PMACEKPBSA-N 333.435 3.046 30 1 EGEF O=C1C2=C(c3ccccc31)[C@H](c1cccc(Cl)c1)NC(=S)N2 17211112 AHJDWGICCNYELV-AWEZNQCLSA-N 326.808 3.466 30 1 EGEF C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@@H]1O 169661766 ZWMCKTRPQRKFAP-GVOVPXKWSA-N 334.456 3.126 30 1 EGEF COc1ccccc1/C=C/C(=O)c1sc(N2CCCC2)nc1N 1857650040 QJLMJOHHNVBWIZ-CMDGGOBGSA-N 329.425 3.230 30 1 EGEF C=C1CC[C@H]2CCC3=C(C2(C)C)[C@](O)(CC(C)=C[C@H](O)C1)OC3=O 2356453079 NAXRGDYBDAKNAZ-MDOVXXIYSA-N 332.440 3.402 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C=C[C@@H]3O[C@]3(C)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356496378 HKIFVFPEXSTSFX-ZPFYTHJMSA-N 344.407 3.026 30 1 EGEF C=C[C@H](O)C#CC#CC[C@H](O)[C@H](O)[C@H](C)[C@H](C)[C@H](C)[C@H](C)[C@@H](C)CC 2356696446 ZCKMUKZQXWHXOF-ZILADGCBSA-N 348.527 3.243 30 1 EGEF N#Cc1nc2ccc3c(nnn3-c3ccnc4ccccc34)c2s1 45291306 ZZISVXIQABJVGQ-UHFFFAOYSA-N 328.360 3.450 30 1 EGEF CC(=O)NC1(c2nc3cc(Cl)nc(C#N)c3[nH]2)CCC(C)CC1 587234627 SCTOSBWOTUVVGV-UHFFFAOYSA-N 331.807 3.024 30 1 EGEF C[C@@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)C=C(c2ccccc2F)NO1 587156462 NRLKPXGDKBJMEK-IBGZPJMESA-N 345.337 3.236 30 1 EGEF CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1 14499721 AOIJFGLGFFRXOU-YSIASYRMSA-N 332.440 3.343 30 1 EGEF COc1c(F)cc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cc1F 113410713 YGCXAFPMTIEVCR-ZDUSSCGKSA-N 343.373 3.440 30 1 EGEF CC=C(C)C(=O)C[C@@]1(O)[C@@]2(C)CCCC(C)(C)[C@]2(O)CC[C@@]1(C)O 2356472339 TYUIIMQERZUJOC-MTQWCTHYSA-N 338.488 3.135 30 1 EGEF CC=C(C)C(=O)O[C@@H]1CC(C)=CCC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]12 2356630173 FKJVDTHEVUYSKQ-MCQTYVBJSA-N 348.439 3.330 30 1 EGEF CC(C)C[C@H](/C=C/c1ccccc1)n1cc(/C=C/C(=O)NO)nn1 72177237 BXTRNSNNNNYKSA-BYSWHYCGSA-N 326.400 3.097 30 1 EGEF C=C1[C@@H]2CC(=O)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O 238734832 SJEQEDGOZAFBGV-WGXNBOGISA-N 332.440 3.190 30 1 EGEF Cc1ccc([S@+](N)(=O)NC(=O)N(C)c2ccc(Cl)cc2)cc1 377820009 WKIUEPRZFANKFA-JOCHJYFZSA-O 338.840 3.142 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cn(C)c(C(F)(F)F)cc1=O 587914727 MNFQBBJANULHMO-UHFFFAOYSA-N 341.716 3.466 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(=N)[nH]n(C)c2cc1F 587917860 TXTKHLNUSGLHNI-UHFFFAOYSA-N 329.762 3.187 30 1 EGEF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 587041247 DZQKAQBEAARPAS-SNVBAGLBSA-N 349.847 3.103 30 1 EGEF CC(=O)Nc1cccc(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)c1 587242859 VWYNHNKJLNIIJL-UHFFFAOYSA-N 325.759 3.032 30 1 EGEF C#Cc1cccc(N[C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)c1 1772605974 GDWZPGDVJPMMQX-OAQYLSRUSA-N 343.382 3.434 30 1 EGEF N#Cc1ccc(-c2ccc(OCCCN3CCC[C@@H](O)C3)cc2)cc1 13859983 BTQCFHMSBTVCNT-HXUWFJFHSA-N 336.435 3.451 30 1 EGEF CC1(C)Oc2cc(O)c(C(=O)/C=C/c3ccccc3)c(O)c2C[C@@H]1O 14615962 QEISUXVWYCBWPL-IJDCCNJMSA-N 340.375 3.068 30 1 EGEF COC(=O)CCCCCC=CC=CC#CC#CC=CCOC(C)=O 2356463265 VOPPYPDHFHINPK-UHFFFAOYSA-N 328.408 3.348 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@@H]12 2356471788 ZHNTWXWAMWPYNI-NUJGCVRESA-N 332.440 3.076 30 1 EGEF CC=C1C(=O)C[C@@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356624831 QAKWWXLYSGFAQN-AUZAOHRESA-N 330.468 3.406 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C)cc2c1N(C)C(=O)C2=O 587911623 XWCXZOGXPUDZNG-UHFFFAOYSA-N 339.778 3.216 30 1 EGEF N#Cc1cc(Br)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 587085773 GTXZKJANCCIHJB-UHFFFAOYSA-N 334.564 3.307 30 1 EGEF C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)Nc1ncccn1 1857598138 JCGUUGRBFRLYSZ-LBPRGKRZSA-N 338.802 3.366 30 1 EGEF COc1ccc([C@@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2C)cc1 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COc1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587888658 PDQKODXPSILUES-UHFFFAOYSA-N 349.217 3.107 30 1 EGEF Cc1ccc(C(=O)/C=C/c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587965924 QGUORPUXANREAH-ZHACJKMWSA-N 333.391 3.469 30 1 EGEF CCCCCCNCCCCC(=O)Nc1ccc(C(N)=NO)cc1 1772588727 HWGCDCJFHAMTLS-UHFFFAOYSA-N 334.464 3.060 30 1 EGEF CC1=CC(=O)O[C@H](C=C(C)[C@H](O)CC[C@@H](C)C2=CC(=O)C(C)(C)O2)C1 2356395201 MVGBWGQAUHVNGU-VNQPRFMTSA-N 348.439 3.234 30 1 EGEF CC(=O)O[C@H]1C/C(C)=C/CC[C@]2(C)O[C@H]2[C@H](OC(C)=O)[C@@H]1C(C)C 100899678 DRGFRBPYLMWXJS-RUQCQGRMSA-N 338.444 3.410 30 1 EGEF in-vitro CCOc1ccc(C#Cc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 113414040 VZPLVUYMIXKXRY-INIZCTEOSA-N 336.435 3.337 30 1 EGEF C=C(C)C[C@]1(C(=O)OCC)C(=O)Oc2ccc3ccccc3c2N1C 36387726 IOVUVPYDXDWBDG-FQEVSTJZSA-N 339.391 3.463 30 3 EGEF C=C1CC[C@]2(O)C(=C)CO[C@H]2C=C(C)CC[C@H]2O[C@H]1CC[C@]2(C)O 2356610104 DUEYDKGXQKDGHI-WPVAHCMFSA-N 334.456 3.048 30 1 EGEF Cc1c(N[C@@H]2CCCNC2)c(C#N)c2ccnn2c1Nc1ccccc1 45253138 XETKYQJLZQZBDH-MRXNPFEDSA-N 346.438 3.422 30 1 EGEF C#CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440000 MZEZGILQFTWNLU-DYESRHJHSA-N 334.371 3.370 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)cnc1NN 587913678 BZLBJFZTDIMUDG-UHFFFAOYSA-N 341.720 3.448 30 1 EGEF C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/C[C@H](OC(=O)[C@H](C)CC)[C@@]1(C)O[C@H]21 156769661 QPBIVEZQZLZRFV-FJSJVJHUSA-N 348.439 3.330 30 1 EGEF O=C(N=C1CCN(c2ccc(Cl)c(Cl)c2)N1)c1cccnc1 1857590237 MDEUAVREDZGTHJ-UHFFFAOYSA-N 335.194 3.342 30 1 EGEF CC1=CC(=O)O[C@H](C=C(C)[C@@H](O)CC[C@@H](C)C2=CC(=O)C(C)(C)O2)C1 2356395200 MVGBWGQAUHVNGU-KBMXLJTQSA-N 348.439 3.234 30 1 EGEF N#Cc1cccc(-c2nc(N)c3cc(CN4CCCC4)sc3n2)c1 118600588 XAJHCZJNDNZUFV-UHFFFAOYSA-N 335.436 3.408 30 1 EGEF C=C[C@](C)(O)CCC=C(C)C[C@H](C=C(C)COC(C)=O)OC(C)=O 2356606318 LKKSWFJJHYAMNI-MOPGFXCFSA-N 338.444 3.481 30 1 EGEF CC=C(C)C(=O)OC[C@]12CCC3=C(C)C(=O)O[C@@H]3C=C(C)CC[C@H]1O2 2356693709 NNJJZBWGTBSKOJ-MBOZVWFJSA-N 346.423 3.396 30 1 EGEF C=C[C@]1(C)C[C@@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1O 84706347 BMNMZWYECBBAJT-SUDRFXRBSA-N 327.424 3.308 30 1 EGEF COc1cc2c3c(c1)O[C@H](c1ccc(O[C@H](C)C#N)cc1)[C@@H](C2)C3=O 587428313 NSBDRRYHHDDWMK-BFKBOQTRSA-N 335.359 3.475 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnn([C@@H](C(=O)O)C(C)C)c1 587908686 ACAAXOORMQJWCG-MRXNPFEDSA-N 332.787 3.227 30 1 EGEF CCCCCCCCc1ccc(OCC(=O)Cn2cnnn2)cc1 1772647044 PUODSXZOVIGWGR-UHFFFAOYSA-N 330.432 3.224 30 1 EGEF N#CCCCc1cc2cccnc2n1S(=O)(=O)c1ccccc1 169321967 TUIFRZAKIPZMNS-UHFFFAOYSA-N 325.393 3.120 30 1 EGEF C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C=CC1=C[C@H](O)OC1=O 2356382475 BRFJVBBXHPOREF-QRXRQMIZSA-N 332.440 3.114 30 1 EGEF C=CC[C@@]12C[C@@]3(OCOC3=CC1=O)[C@H](C)[C@H]2c1ccc2c(c1)OCO2 2356335775 CPRHYOIFRQCXFD-KFTCGEBBSA-N 340.375 3.311 30 1 EGEF CC[C@H](C)C=C(C)C=CC1=CC2=C(O)C(=O)[C@@](C)(O)C(=O)C2=CO1 2356588199 LNWIOAGOUVWVSQ-WLRWDXFRSA-N 330.380 3.048 30 1 EGEF CC(C)Cc1n[nH]c(/N=C(\O)N(C)Cc2cnc3ccccc3c2)n1 23311538 FICVQASEXZZJGO-UHFFFAOYSA-N 338.415 3.229 30 1 EGEF CCCc1[nH]nc2c1[C@@H](c1ccc(OC)cc1OC)[C@@H](C#N)C(=N)O2 169690873 QSAQGZDQKGTMRL-DOMZBBRYSA-N 340.383 3.021 30 1 EGEF CC(C)C1=C2CC[C@](C)(OC(=O)[C@]3(C)O[C@H]3C)C(=O)C[C@@]2(C)CC1=O 2356412221 KXDJJFRBSRHHLA-KUWYXTSNSA-N 348.439 3.150 30 1 EGEF C[C@@H]1N=C[C@]23C[C@H](O)[C@H]4[C@@H](CCC5=CC(=O)C=C[C@@]54C)[C@@H]2CC[C@@H]13 2356545343 IRJULQGCGHNQDS-MPCSAPFLSA-N 325.452 3.334 30 1 EGEF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1c(O)[nH]c2ccccc2c1=O 96938804 FBXCZECMECHBSL-JXMROGBWSA-N 336.303 3.038 30 1 EGEF COc1ccc2c(c1)[C@H](n1nnc3ccccc31)C1=C(CCCC1=O)O2 299838966 ROLFGFQYLHFLQX-FQEVSTJZSA-N 347.374 3.429 30 1 EGEF CCOC(=O)c1cccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)c1 113409285 JGUCNRLEGVECJZ-MRXNPFEDSA-N 349.430 3.330 30 1 EGEF C=C1C(=O)O[C@H]2C[C@]3(C)O[C@@H]3CC/C(C)=C\[C@H](OC(=O)/C(C)=C\C)[C@H]12 238789504 DTOFRQNTRKNUMY-OVIKDYOGSA-N 346.423 3.250 30 1 EGEF C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C 34059155 RVGILYCGIFAEPU-UVARLRKDSA-N 330.424 3.420 30 1 EGEF biogenic C#CCOc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587402274 WRCFRCKTNUBCSO-SFHVURJKSA-N 337.375 3.304 30 1 EGEF COc1cc2c3c(c1)O[C@@H](c1ccc(C#CC(C)(C)O)cc1)[C@@H](C2)C3=O 587451774 RIMHMHMUUGORQN-UWJYYQICSA-N 348.398 3.306 30 1 EGEF N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4055588 OFZBWMAOTOZJBJ-GDBMZVCRSA-N 343.770 3.055 30 1 EGEF N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4207540 CFGCPHPJWCZDQM-HOCLYGCPSA-N 343.770 3.055 30 1 EGEF C=C(C)[C@@H](C[C@@](C)(O)C1CCC(COC(C)=O)CC1)OC(C)=O 2356540112 MMUHWJFYDCOUMO-OPQOLIRYSA-N 326.433 3.005 30 1 EGEF O=C1NCC/C(=N\Nc2cccnc2)c2c1[nH]c1ccc(Cl)cc21 70460233 KHYRHFAJCMYVAX-OEAKJJBVSA-N 339.786 3.166 30 1 EGEF Cc1cc(N(C)Cc2nc3ccc(C#N)cc3[nH]2)c([N+](=O)[O-])cc1F 587136400 FKUDDGMAXVHTIK-UHFFFAOYSA-N 339.330 3.427 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C#N)n2)N1 587775046 YHPHPSASGSTOAX-FVMDXXJSSA-N 346.203 3.478 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnn(C)c1NC(=O)C(C)(C)C 587902503 GETUZBFHUUFGBQ-UHFFFAOYSA-N 345.830 3.467 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1O 587879003 FPWHQUGCAWEOKD-UHFFFAOYSA-N 334.202 3.409 30 1 EGEF CCCCCCCCc1ccc(OCC(=O)Cn2ncnn2)cc1 1772611274 OQCIRDGTGSGBBG-UHFFFAOYSA-N 330.432 3.224 30 1 EGEF O=C1CSC(=N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)N1 1857611423 BQCHXWBCSMVXFY-VXLYETTFSA-N 334.404 3.388 30 1 EGEF CC(=O)O[C@H]1C/C(C)=C/CC[C@@]2(C)O[C@H]2[C@H](OC(C)=O)[C@H]1C(C)C 103585968 DRGFRBPYLMWXJS-FZQYVHSSSA-N 338.444 3.410 30 1 EGEF biogenic,in-vitro C[C@H]1O[C@](C#CC2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O 29205484 BODHTLJYAHHWBX-GLEZIHRCSA-N 345.267 3.493 30 1 EGEF OC[C@@H]1C[C@H]2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1 62133718 NLGYSAUDIBBAJL-FSSWDIPSSA-N 347.458 3.320 30 1 EGEF CCOc1ccccc1Oc1ncccc1/C(=N/O)n1cnc(C)c1 72182982 PGWUXQNPWMUXJB-FXBPSFAMSA-N 338.367 3.462 30 1 EGEF N#CCCN1CCC(n2c(C3CC3)nc3cnc4[nH]ccc4c32)CC1 95559985 QHERSCPVQFHKJL-UHFFFAOYSA-N 334.427 3.341 30 1 EGEF C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cccc([N+](=O)[O-])c2c1CC=O 587646485 BQBLPVJKSZMDKV-JTQLQIEISA-N 347.371 3.403 30 1 EGEF COc1ccc(/C=N/CCC/N=C/c2ccc(OC)cc2O)c(O)c1 1662741 CKVTXWCHWYLAMV-ZIOPAAQOSA-N 342.395 3.043 30 1 EGEF CNC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc([N+](=O)[O-])c1 587904345 JFMRMRDQPXUDIY-UHFFFAOYSA-N 344.754 3.016 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1CS(C)(=O)=O 587917855 UVOTVZMUHNNMSK-UHFFFAOYSA-N 334.824 3.293 30 1 EGEF C[C@]1([C@H]2COCCO2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963188409 APMGWRHUAUJVGG-YPAWHYETSA-N 348.446 3.440 30 1 EGEF O=c1[nH]cccc1[C@](C#CC1CC1)(OCc1ccncc1)C(F)(F)F 5932830 INJQBPWBVJPBDU-KRWDZBQOSA-N 348.324 3.158 30 1 EGEF COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N 13607842 PGAJMSRLYVWIPH-FNORWQNLSA-N 343.379 3.199 30 1 EGEF N#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 117624308 VVZNCSHIBODHMZ-UZLBHIALSA-N 342.402 3.379 30 1 EGEF O=C1NC(=O)[C@@H](Cc2ccc(C(=O)/C=C/c3ccco3)cc2)S1 29486050 XAYNTWFWSDFMKS-MVGZEHJDSA-N 327.361 3.070 30 1 EGEF C=C1[C@H]2CC[C@]3(O)[C@]4(C)CCC[C@](C)(C(=O)OC)[C@@H]4CC[C@@]3(C2)[C@@H]1O 2356686630 NEQNPJRJYTVQSB-KBONVHAXSA-N 348.483 3.214 30 1 EGEF Nc1ccccc1C#C/C=C\C#CC#C/C=C\C#Cc1ccccc1N 40892183 FAKSDBCCQYESPK-SFECMWDFSA-N 332.406 3.373 30 1 EGEF O=C1C(Br)=C(c2ccccc2)S(=O)(=O)c2ccccc21 1585654 HQCQILWXQBHXIH-UHFFFAOYSA-N 349.205 3.420 30 1 EGEF CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H]1C[C@H]3C(C)(C)CCC[C@@]23C(=O)O1 100783623 ZGIOOTXNBWWRKD-MKXJDEKUSA-N 344.407 3.045 30 1 EGEF endogenous,in-man C=C(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@H]1C(C)(C)CCC[C@@]21C 2356446320 FBINAMHSQMBYIX-XAAFQQQXSA-N 330.424 3.420 30 1 EGEF C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)([C@@H](O)CC[C@@]4(C)C(=O)O)[C@H]2CC[C@H]1C3 2356521367 UWEUEOYKRAUFAO-AKRLWLFZSA-N 332.440 3.190 30 1 EGEF CCC(=O)C=CC=CC[C@@H](O)C=CC=CC=C[C@H](O)CCCC(=O)O 2356652436 CMOJNYRANQREGD-OALUTQOASA-N 348.439 3.113 30 1 EGEF C/C(=N\NC(=S)Nc1ncc(C2CCC2)o1)c1ccc(O)cc1 40564969 JHZCTCLCAJCHJZ-VXLYETTFSA-N 330.413 3.358 30 1 EGEF C=C[C@@]1(C)C[C@@]2(OC[C@]3(C)O[C@@H]32)O[C@@H]2c3c(C)cccc3OC(=O)[C@@H]21 238763726 AHICRLHMYLDOJO-PDURBABISA-N 342.391 3.068 30 1 EGEF C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)C=C(C)C)[C@@H]2C)[C@@H](O)C1=O 238755477 ULEDMRZYWPXVFM-XTPGNIOPSA-N 334.456 3.443 30 1 EGEF N#Cc1ccc(OCc2nc3ccc(Br)nc3[nH]2)cc1 587190534 LQPAHKDJGYQXSN-UHFFFAOYSA-N 329.157 3.171 30 1 EGEF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc([C@H](C)C#N)c1 28365958 VUGNSBAWTJXEEK-GFCCVEGCSA-N 337.423 3.170 30 1 EGEF O=C(/C=C/c1ccc(/C=C(/C(=O)NC2CC2)c2ccccc2)cc1)NO 59275924 ZVOHEQSIKADDSM-NIEGGPFSSA-N 348.402 3.024 30 1 EGEF CC(=CCC=C(C)[C@@H]1CC[C@]2(C)OC3=C(C[C@H]12)C(=O)CC[C@@H]3O)CO 2356487771 LTAKJWJITPBCJA-MRCYXTNMSA-N 346.467 3.445 30 1 EGEF COc1ccc(Oc2nc(C)ccc2/C(=N/O)NCCSC)cc1 72182795 IMGFUPDQDVZBDM-UHFFFAOYSA-N 347.440 3.279 30 1 EGEF COc1ccc2[nH]c(C)cc(=NN=Cc3cccc([N+](=O)[O-])c3)c2c1 299817945 GRIBQWLBBWMNOJ-UHFFFAOYSA-N 336.351 3.328 30 1 EGEF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(C#N)c(C#N)cc3[nH]2)c1 587262858 ZFZOJJGAYLAPPE-UHFFFAOYSA-N 347.334 3.144 30 1 EGEF C[C@H](C#N)C[C@@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962663218 JJGBMSBVPMJKAX-MRFFXTKBSA-N 337.423 3.098 30 1 EGEF CC1=CC(=O)[C@@H]([C@@]2(C)NCCc3cccc(-c4ccccc4)c32)C(=O)O1 962669028 ZSKDJWBYARDNFZ-IRLDBZIGSA-N 347.414 3.360 30 1 EGEF C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1C[C@@H](O)[C@@H]2O 17310818 GVKVGOGUDSJCLX-OXZADQLBSA-N 328.452 3.439 30 1 EGEF CCOCCC/N=C(\O)[C@@H]1CCCN(c2nc3ccccc3o2)C1 2912589 NRJMGQACFJSKOU-CQSZACIVSA-N 331.416 3.427 30 1 EGEF C=CCNC(=O)c1onc(CSc2cc(C)cc(C)c2)c1C(=O)O 8672368 MVWIPZLDZGAODL-UHFFFAOYSA-N 346.408 3.198 30 3 EGEF Cc1nc(C2=C(C(F)(F)F)NO/C2=C2/C=CC(=O)C=C2O)cs1 100590892 IWXRJVCBBFLBPA-WQLSENKSSA-N 342.298 3.095 30 3 EGEF N#Cc1cc2cnc(Nc3ccccc3O)nc2n(C2CCCC2)c1=O 103271570 AZGUWSCGQNQMOK-UHFFFAOYSA-N 347.378 3.227 30 1 EGEF CC(N)=C1C=CC(=O)C(NC2CCN(C3(C)CCCCC3)CC2)=C1 2356705402 MDUCHSQGBDVSIH-UHFFFAOYSA-N 329.488 3.019 30 1 EGEF C[C@@H]1C[C@@H]2[C@H]3C(C)(C)O[C@@H](C(=O)[C@]4(O)[C@H](C)CC[C@@H]1[C@]24C=O)C3(C)C 2356789316 DDAONPKAPSRUAI-QFJMIHKWSA-N 348.483 3.007 30 1 EGEF C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 33803680 CZEMYYICWZPENF-ZLIQWIABSA-N 348.439 3.076 30 1 EGEF in-man O=C(O)c1cc(N/N=C\c2ccc3c(c2)OCCO3)ccc1Cl 33699100 YRBRYHZSBAQCLX-NVMNQCDNSA-N 332.743 3.255 30 1 EGEF Cc1ccc(/C(=N/O)N2CCSC2)c(OCc2cccc(F)c2)n1 72181787 NVNIUWJSWCYFRU-SILNSSARSA-N 347.415 3.250 30 1 EGEF CCOC(=O)[C@@]1(O)C[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)O1 49803573 MYWNHTJAAOYSEQ-VBKZILBWSA-N 344.407 3.085 30 1 EGEF N#Cc1nc(Cl)cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c12 587254150 HGNMFXICRDRXNS-UHFFFAOYSA-N 347.769 3.020 30 1 EGEF Cc1nc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)[nH]1 587889722 VDRPAQNVXBRZBN-UHFFFAOYSA-N 336.222 3.044 30 1 EGEF C=C[C@]1(CC)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963133744 CDFFPBGKQKXZOE-BZNIZROVSA-N 338.429 3.181 30 1 EGEF C=C1[C@H](OC(=O)CC(C)C)C[C@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 15107403 RJNJFKDVPIFVPQ-MICFHTSLSA-N 336.472 3.379 30 1 EGEF endogenous,in-man N#Cc1ccc2nc(-c3cncnc3C(F)(F)F)n(C3CC3)c2n1 1857574572 NZDLXEGMGVMQKW-UHFFFAOYSA-N 330.273 3.114 30 1 EGEF COc1ccc2c(=O)c(C#CCOC(=O)C3CCCCC3)coc2c1 64560800 RUHBMBCBDUNFIX-UHFFFAOYSA-N 340.375 3.277 30 1 EGEF C=C1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@](C)(C(=O)OC)[C@@H]4C[C@@H](O)[C@@]3(C2)[C@H]1O 2356512347 YQDUZTAKTKFQPP-CNIKHVQCSA-N 348.483 3.070 30 1 EGEF C=C1[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC=C1CCOC1=O 2356566535 LAIHLMZBILKPIA-MJEZEWASSA-N 332.440 3.198 30 1 EGEF O=C(CCCCCN1C(=O)c2ccccc2Cc2ccccc21)NO 84712337 UMVVIIYGNDFZHN-UHFFFAOYSA-N 338.407 3.303 30 1 EGEF COc1ccc(C#Cc2ccc(C(=O)N3CCC(C)(O)CC3)cc2)cc1 95559356 WFPGKHLTPZENGV-UHFFFAOYSA-N 349.430 3.082 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c(F)cc1C(=O)O 587915981 YQKHJTCVYJOTIR-UHFFFAOYSA-N 348.713 3.284 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cn(C(C)C)nc1CC(=O)O 587908960 GHBWRUCITWFHOH-UHFFFAOYSA-N 332.787 3.153 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(CO)cc2)c1 587909216 MLBUGOSYZWRTMW-UHFFFAOYSA-N 338.794 3.426 30 1 EGEF COc1cc2c3c(c1)O[C@@]1(CCCC4=C1C[C@H](CC#N)O4)[C@@H](C2)C3=O 587427854 GOTNVDXCORQRTG-NRKGENKXSA-N 337.375 3.322 30 1 EGEF N#Cc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 45513193 RBVSEZUQVQTLLT-UHFFFAOYSA-N 332.407 3.038 30 1 EGEF CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(/C=[N+](\[O-])C1CC1)O2 13981581 HVYCVNISFPJJQD-LVWFPGDPSA-N 331.412 3.364 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@@H](O)C/C(C)=C/CC/C(C)=C/[C@H](O)C[C@H]2C 103940541 GQTPRLWQZDUWKJ-WZAHVYAYSA-N 334.456 3.299 30 1 EGEF C#Cc1cccc(Nc2ncnc3cc(OC)c4c(c23)OCCO4)c1 653857002 HYAOSZCIKQDSNH-UHFFFAOYSA-N 333.347 3.135 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)ccc1OCC(=O)O 587917012 WWRIFYGHFASFQG-UHFFFAOYSA-N 334.730 3.351 30 1 EGEF C#CCOc1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 587563057 BXKXLRLVOLVXAV-UHFFFAOYSA-N 328.169 3.399 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2cc(O)nc(O)c2c1 587910360 WZXSEGURQYFUFP-UHFFFAOYSA-N 326.739 3.103 30 1 EGEF C#CCOC(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OC(C)=O)c(C)c2C1 1772636047 HWLSGOMBPXGVLD-CZUORRHYSA-N 328.408 3.146 30 1 EGEF COc1ccc(-c2cc(-c3ccc(O)cc3O)c(C#N)c(=O)[nH]2)cc1 9704044 RXYMZZBJGJGSPW-UHFFFAOYSA-N 334.331 3.000 30 1 EGEF O=c1cc(N2CCOCC2)oc2c(C#Cc3ccccc3)cccc12 26717848 FVCZHPDXMMYSDW-UHFFFAOYSA-N 331.371 3.029 30 1 EGEF in-vivo CC(=CCC=C(C)[C@@H]1CC[C@]2(C)OC3=C(C[C@H]12)C(=O)CC[C@H]3O)CO 2356487773 LTAKJWJITPBCJA-RWCSOYMTSA-N 346.467 3.445 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)OC 2356559642 GKRMJALKMNRHGF-UKFLMKJWSA-N 330.424 3.254 30 1 EGEF CC(C)=CCC(=O)/C(C)=C/CC[C@]1(CO)O[C@@H]1CC/C(C)=C\CO 523042414 QFOKXRAQWYQLQM-BOKOPNHWSA-N 336.472 3.487 30 1 EGEF biogenic COc1ccc(Cl)cc1C#Cc1cnc(N2CCCC2)c(N)c1 587909390 QMVLWVUYOKJVQI-UHFFFAOYSA-N 327.815 3.326 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=CC=CC2=O)N1 587817813 NBNSQAFEUFZXLZ-QLJPJBMISA-N 336.204 3.403 30 1 EGEF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](O)/C(C)=C/C/C=C(\C)CC[C@H]2O 13483441 OASCGMGKXPPAEW-LDJPIFTBSA-N 334.456 3.443 30 1 EGEF COc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)cc1 26488189 TWVVBQDVHNKMKB-UHFFFAOYSA-N 340.788 3.063 30 1 EGEF C=C1CCC=C(C)CC[C@@H]2O[C@]2(C)C[C@@H]2OC(=O)C(=C)[C@@H]2C[C@@H]1O 2356789727 DPOVKCOROWWUOF-ZYNAIFEFSA-N 332.440 3.459 30 1 EGEF C[C@H](CC=CC(C)(C)O)C1=CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3 2356861233 UGVHYWGUKVKPFV-YFPSAGDSSA-N 346.467 3.443 30 1 EGEF N#Cc1ccc(-c2cnc3ccc(NCc4cccnc4)nn23)cc1 40835963 IFIPOWAFURAJLX-UHFFFAOYSA-N 326.363 3.275 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2[nH]c([C@H](C)O)nc2c1 587910307 UVSNYLRFYNHKNQ-JTQLQIEISA-N 327.771 3.073 30 1 EGEF C=C[C@H](CO)[C@H]1CC[N+]2(C)CCc3c([nH]c4ccc(O)cc34)[C@@H]2C1 169435840 MXQXOWMUFOASLL-WSZGPLAGSA-O 327.448 3.122 30 1 EGEF CCOc1ccc(C#Cc2ccc([C@H](C)NC(=O)[C@H](C)O)cc2)cc1 169706267 WNFSSHPMPIQPIE-HOTGVXAUSA-N 337.419 3.043 30 1 EGEF Nc1nc(N2CCCC2)sc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1857775016 GKRRVBMMWVLSDH-VMPITWQZSA-N 344.396 3.130 30 1 EGEF CC/C=C\C[C@H]1C(=O)C(I)=C[C@H]1CC(=O)OC 101674304 FZYXDMFUIFXKNT-YVDHIRPGSA-N 348.180 3.040 30 1 EGEF C=C[C@](C)(O)CC=C[C@]1(C)CC[C@H]([C@](C)(O)CC(=O)C=C(C)C)O1 2356578825 HYSXHSFJFJWWOB-IYWMVGAKSA-N 336.472 3.484 30 1 EGEF C=C1[C@H](OC(=O)CC(C)C)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 95912092 RJNJFKDVPIFVPQ-WCJJETLUSA-N 336.472 3.379 30 1 EGEF biogenic,in-vitro C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@]1(O)C3 254044206 CAZYNLSCRWNLPJ-QLALSXEDSA-N 346.467 3.422 30 3 EGEF COc1ccc(Cl)cc1C#Cc1c(C)nc2n[nH]c(N)c2c1C 587903607 UXTZXHAMOVWQAG-UHFFFAOYSA-N 326.787 3.219 30 1 EGEF CC/C=C\C[C@H](O)[C@@H](O)/C=C/C(=O)CCCCCCCC(=O)O 169622035 PLHUEKVESBJIRC-RJRZXVFXSA-N 326.433 3.005 30 1 EGEF COCOc1cc(OC)ccc1C(=O)/C=C\c1ccc2c(c1)OCO2 3965590 RXJXFVXIDAILKB-CLTKARDFSA-N 342.347 3.303 30 1 EGEF C=C1CCC[C@H](COC(C)=O)CC[C@H](C(C)(C)O)C[C@H]1OC(C)=O 2356338069 LVNLZLPJBZFVFM-OKZBNKHCSA-N 340.460 3.395 30 1 EGEF CO/N=C(/C(=O)N(C)C)c1ccccc1COc1cc(C)ccc1C 103192493 ICYPKLQHOCZXQC-XUTLUUPISA-N 340.423 3.321 30 1 EGEF CN(C)Cc1cc(/C=C/C(=O)c2ccccc2)cc(CN(C)C)c1O 25974521 JCCSQVLHISATHT-ZHACJKMWSA-N 338.451 3.412 30 1 EGEF C[C@H]1CC[C@@H](/C(S)=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21 29243282 QWWYIFWBKVBVPN-CMPLNLGQSA-N 343.408 3.040 30 1 EGEF C=C[C@](C)(O)CCC=C(C)[C@H](O)CC=C(C)CC[C@H](O)C(C)(C)O 2356668424 PFPFSFZDWLOUQY-HBFSDRIKSA-N 340.504 3.259 30 1 EGEF N#Cc1nc(Cl)cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587016789 NTRCZLNCPWPFRO-SNVBAGLBSA-N 331.788 3.458 30 1 EGEF CC[C@H](O)/C=C/C=C\CC(=O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 169622100 IEJXJLXCFNXYAY-IFAPNEAUSA-N 348.439 3.113 30 1 EGEF CC(C)(C)CNc1nc(C#N)ncc1C#CCN1Cc2ccccc2C1 29051271 NBYWKBORRCROGO-UHFFFAOYSA-N 345.450 3.174 30 1 EGEF CC(C)c1cc2c(cc1O)[C@@]1(C)C[C@@H](C2=O)C(=O)C(C)(C)[C@H]1C=O 238733276 DLYLYXIDKXMSDL-GQWAEJPESA-N 328.408 3.400 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cncc(C(=O)N2CCCC2)c1 587907899 HVEZGOKEUDUKJI-UHFFFAOYSA-N 340.810 3.379 30 1 EGEF C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C(=O)CO 1857622907 ZDYFFPNLCUDFDB-ZKHIMWLXSA-N 328.452 3.472 30 1 EGEF COc1cc(O)c(C(=O)C=Cc2ccc(N(C)C)cc2)c(OC)c1 2356319083 AJBXYCXQFLOEKN-UHFFFAOYSA-N 327.380 3.372 30 1 EGEF C=C1C[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)C(C)=CC)C=C(C)CC[C@@H]1O 2356635099 UPYSSTOWRYYTEG-XLAORIBOSA-N 346.423 3.010 30 1 EGEF CC1(C)Oc2c(c(O)cc(O)c2C(=O)C=Cc2ccccc2)C[C@H]1O 2356726443 LDJZZJAEURDRFN-QGZVFWFLSA-N 340.375 3.068 30 1 EGEF C=C(C)[C@]1(O)CCC2=C3O[C@@](C)(CCC2=O)[C@@H](O)CCC(C)=C[C@H]31 2356799762 UVBDNFDYDHBUDB-DJABAAGCSA-N 332.440 3.197 30 1 EGEF COCCN/C(=N\O)c1cccnc1Oc1ccc(C)c2c1CCC2 72183687 KPXJPTQZQKURET-UHFFFAOYSA-N 341.411 3.043 30 1 EGEF COc1ccc(O)c(-c2sc(N=C(N)N)nc2-c2ccccc2)c1 45189194 DVPQMMRLMYYSPN-UHFFFAOYSA-N 340.408 3.096 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)n(C)c2)N1 587757369 VBEOGDUKZDYCLE-ABKXIKBNSA-N 348.219 3.422 30 1 EGEF C=CCc1cccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 586952546 HURMHNDTWOCBCO-UHFFFAOYSA-N 347.484 3.290 30 1 EGEF C=CCONC(=C)[C@@H]1C(=O)CC(C)(C)[C@@H](c2cccc(C)c2)C1=O 957684362 SJDUOMIEHUEUHU-MSOLQXFVSA-N 327.424 3.484 30 1 EGEF O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cccc(-c2ncc(F)cn2)c1 103251632 HTJUXGFUOHWOLU-KZNAEPCWSA-N 349.365 3.285 30 1 EGEF C=C[C@](C)(O)CCC=C(C)[C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O 2356779972 HRCVDYKTTYCITA-FHWLQOOXSA-N 338.444 3.480 30 1 EGEF C=C(C)[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C 38928459 PRZHJEFHHOMZQJ-UFXSKVETSA-N 332.440 3.363 30 1 EGEF Cc1ccc(/C(=N/O)N(C)Cc2ccco2)c(Oc2cccnc2)n1 72184097 TXMKHKKRRXKNMD-FXBPSFAMSA-N 338.367 3.438 30 1 EGEF O=c1c2cccc(/C=N\Nc3ccccn3)c2oc2cc(O)cc(O)c12 40952520 YDMCSCTZGNZTIQ-FBHDLOMBSA-N 347.330 3.198 30 1 EGEF O=C(CCS)NCCCNc1c2c(nc3ccccc13)CCCC2 84712060 IVYWWAJPFURBOQ-UHFFFAOYSA-N 343.496 3.352 30 1 EGEF CCOC(=O)c1cc(C)c(O)c(/C=N/Nc2nc3ccccc3[nH]2)c1 95555319 ZDBHQORHNNPTAB-VXLYETTFSA-N 338.367 3.200 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@@H](C#N)N(C)C2=O 587907287 JBFWMDZVHLCQIY-QGZVFWFLSA-N 336.778 3.399 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=CC=CC2=O)N1 587816774 DBKJJGAUWDSYCY-MGPLVRAMSA-N 336.204 3.403 30 1 EGEF CCOC(=O)[C@H](C#N)[C@@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587386189 IPAZSOCQXWMJAF-ORAYPTAESA-N 344.411 3.030 30 1 EGEF CCCCCCCCCC[C@@H]1NC(=N)N[C@@]2(CCCO2)[C@@H]1C(=O)O 1772643039 XQIBJGYYXKVIHB-RLFYNMQTSA-N 339.480 3.221 30 1 EGEF CC(=O)O[C@H]1C(=O)CC(C)(C)[C@@]23O[C@@H]2C[C@@H](c2ccccc2)[C@@]13C 169293536 PTGKTZIUIJTALG-MFMLGXQFSA-N 328.408 3.249 30 1 EGEF Cc1ccc(N2CCC(CCOc3ccc(/C=N/O)cc3)CC2)nn1 3618028 PHRBHINVXSIXRQ-XSFVSMFZSA-N 340.427 3.279 30 1 EGEF Cc1c(-c2ccccc2)c(C#N)c2nnn(C3CCCCC3)c(=O)n12 1657799 QJWRIJBKIIIXEG-UHFFFAOYSA-N 333.395 3.243 30 1 EGEF CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[C@H](N(C)C)C1 53295506 YYHBTPSUXCWOJL-HNNXBMFYSA-N 347.466 3.370 30 1 EGEF Cn1cc(-c2ccccc2)nc1CSc1nc2ccc(C#N)cn2n1 113422980 HGDPKFWRPJOFPE-UHFFFAOYSA-N 346.419 3.294 30 1 EGEF CCOc1ccccc1Oc1ncc(C#C[C@H](C)NC(C)=O)s1 36184995 PYQCVMJFBMJPEN-LBPRGKRZSA-N 330.409 3.210 30 1 EGEF C=CC(C)(C)[C@@]1(OC)C(=O)Oc2cc3occc3c(OC)c2C1=O 15120952 GJIFITGETLKYQN-SFHVURJKSA-N 330.336 3.141 30 1 EGEF biogenic Cn1c(N)nc([C@H]2C[C@H]2c2cccc(C#Cc3ccccc3)c2)cc1=O 96906346 XZBJZXIRQFLKGS-OALUTQOASA-N 341.414 3.033 30 1 EGEF CN(C)/C=C1\C(=O)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511605 LZKAPVFSROHLPK-ZDJZVTAXSA-N 339.435 3.468 30 1 EGEF CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccsc2)C1=O 13559365 BENGSGPWRHSAHX-UHFFFAOYSA-N 348.445 3.398 30 1 EGEF Cc1cc(-c2cnn3ncccc23)nc(Nc2cccc(C#N)c2)n1 1857621375 HJDWHJHUSOWKGJ-UHFFFAOYSA-N 327.351 3.110 30 1 EGEF C#C[C@H]1CN2CC[C@H]1C[C@H]2CNCc1cccc(OC(F)(F)F)c1 2356300877 UTBAUVWDTMPACI-JYJNAYRXSA-N 338.373 3.018 30 1 EGEF CC[C@H](C)CO[C@@H]1[C@@H]2[C@H](C[C@H](C)[C@@H]3C=CC(=O)[C@@]31C)OC(=O)[C@H]2C 2356726275 JOPZTFJFJCQWRK-AWNWSKCTSA-N 334.456 3.397 30 1 EGEF C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CCC1=CC(=O)O[C@@H]1O 238740930 GZTUAPFQPZVTGA-BZEDWVGSSA-N 348.439 3.432 30 1 EGEF Cc1nn(-c2ccccc2)c2nc3c(nc12)/C(=N\O)c1ccccc1-3 95592322 SAXCGBQEEDBEBJ-QJOMJCCJSA-N 327.347 3.331 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)/C(C)=C/C)[C@H]12 238740866 OMDUJIAGTIZPFC-CGEPWBMCSA-N 346.423 3.010 30 1 EGEF CCOc1cc(C#Cc2cc(Cl)ccc2OC)ccc1C(N)=O 587904004 YRQVRINKIDKALV-UHFFFAOYSA-N 329.783 3.246 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(NCCO)c([N+](=O)[O-])c1 587902105 JXAJDMPZAJUMST-UHFFFAOYSA-N 346.770 3.061 30 1 EGEF CC1(C)C[C@H](C(=O)Nc2c(Cl)cccc2Cl)C(=O)[C@H]2O[C@H]21 13742792 RNPZBNBGFWAMBA-HAGUPOPPSA-N 328.195 3.315 30 1 EGEF O=C(/C=C(\O)C(=O)O)/C=C/c1ccc(NC(=O)c2ccccc2)cc1 1857603069 GDIBJVNIOUMNGG-JUBDITTISA-N 337.331 3.048 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 100780431 QFINJHBXXJQKPB-HSWBLDGNSA-N 346.423 3.010 30 1 EGEF endogenous,in-man C=C(C)[C@@H]1C[C@]2(C)[C@H](C)[C@H](OC(=O)C(C)=CC)CC[C@@H]2[C@@H](O)C1=O 2356511811 OYZPDCNJODPOBW-KGJKWMCCSA-N 334.456 3.443 30 1 EGEF CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@]23C 13298258 XQOSNJUURCKQGN-CSNAGLLJSA-N 344.451 3.197 30 3 EGEF biogenic,in-vitro COc1ccc(Cl)cc1C#Cc1cccc(C2(C)OCCO2)n1 587910630 KWZICMRJSQKLCU-UHFFFAOYSA-N 329.783 3.363 30 1 EGEF COc1ccc([C@@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587428952 RGTVTUIUJVXSHL-OXQOHEQNSA-N 335.359 3.260 30 1 EGEF CCOC(=O)c1[nH]nc(OCC)c1C#Cc1cc(Cl)ccc1OC 587903296 BZCNKIKZVDPJSO-UHFFFAOYSA-N 348.786 3.047 30 1 EGEF N#Cc1cccnc1NCc1cccc(-c2nc3ccnc(O)c3[nH]2)c1 587230544 LQRWGFYDQMWREP-UHFFFAOYSA-N 342.362 3.209 30 1 EGEF C=C[C@](C)(O)C[C@@H](/C=C(\C)C[C@@H](C=C(C)C)OC(C)=O)OC(C)=O 15213937 ZWCHRIPZSGWZAL-LBKPJZIZSA-N 338.444 3.480 30 1 EGEF CCCCCCCCCCS(=O)(=O)NNC=C1C=CC(=O)C=C1 104007237 PLRARSRRHLFNQI-UHFFFAOYSA-N 340.489 3.130 30 3 EGEF O=C1C=CC(Br)=C/C1=C1\C=C(c2ccc(Cl)cc2)NN1 104025725 KYNZREDMAORHHK-OWBHPGMISA-N 349.615 3.461 30 3 EGEF O=C(O)C(=O)/C=C(\O)c1cn(Cc2ccc(F)cc2)c2ccccc12 101031257 XEPABNKDQLQPER-MFOYZWKCSA-N 339.322 3.381 30 1 EGEF COc1ccc(-c2nc(Nc3ccc(CCO)cc3)ncc2C#N)cc1 28819625 OPSMWVWUFIEJNT-UHFFFAOYSA-N 346.390 3.302 30 1 EGEF C[C@]1([C@H](O)CO)CC[C@]2(C)[C@H](CC[C@]3(C)C(=CO)C(=O)CC[C@@H]32)C1 2356648276 VEHQOXOBKPFBHP-GPTJPXBLSA-N 336.472 3.373 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(N2C(=O)CCC2=O)c1 587905356 RSHVVKKPYXVTFO-UHFFFAOYSA-N 339.778 3.402 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc(N)c1C 587903913 VCYFYOIVCPYWSN-UHFFFAOYSA-N 329.783 3.426 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(-c2nnc(CO)o2)cc1 587906701 OVHUULBGNIHXIF-UHFFFAOYSA-N 340.766 3.291 30 1 EGEF N#C[C@@H](F)[C@@]1(c2ccc(Cl)cc2)NCCc2c(C(=O)O)cccc21 963135004 VIOQFAHPUXRQIO-AEFFLSMTSA-N 344.773 3.289 30 1 EGEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@H](O)C1=CC(=O)O[C@@H]1O 2356336187 HYOANESYDNMXHG-WDDRRTDCSA-N 334.456 3.338 30 1 EGEF Cn1nccc1Nc1nccc(-c2ccc(N3CCCC3)c(C#N)c2)n1 113826181 DAZUIYGZOWVNPV-UHFFFAOYSA-N 345.410 3.093 30 1 EGEF COc1c(C)c(O)c(C(=O)/C=C(\O)c2ccccc2)c(O)c1C=O 101135071 FYPNXPAVVGQFNL-JYRVWZFOSA-N 328.320 3.009 30 1 EGEF biogenic,in-vitro C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 100781433 CZEMYYICWZPENF-BKQVNXHBSA-N 348.439 3.076 30 1 EGEF endogenous,in-man COc1ccc(S(=O)(=O)[C@H](CCS)Cc2ccccc2)cc1 28017254 KMLHPTCEMLILLL-QGZVFWFLSA-N 336.478 3.400 30 1 EGEF O=C(/C=C/c1ccc2c(c1)B(O)OC2)c1ccc(-c2ccccc2)cc1 195519495 TUDQUZQLTANKOV-NTUHNPAUSA-N 340.187 3.467 30 1 EGEF COc1cc(/C=N/N(C)c2nc3ccccc3s2)cc(OC)c1O 299835345 DMOJXDZASARKLC-VCHYOVAHSA-N 343.408 3.489 30 1 EGEF COc1ccc(Cl)cc1C#Cc1csc(N2CCC(O)CC2)n1 587920290 CFZJLQRXDWSTAK-UHFFFAOYSA-N 348.855 3.166 30 1 EGEF Nc1c(C=C2C=CC(=O)C=C2)c(=O)nc2scc(-c3ccccc3)n12 5731528 IJJOPAPAXDIDSJ-UHFFFAOYSA-N 347.399 3.084 30 3 EGEF N#CCCCn1nc(-c2ccc(OCc3ccccc3)cc2)oc1=O 13826725 QWRLIBCZPHFOJE-UHFFFAOYSA-N 335.363 3.386 30 1 EGEF C=C1CC(=O)C=C(C)CC[C@@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@H]12 2356509501 RGTPNNMQGBLXOP-SJLPKXTDSA-N 330.424 3.285 30 1 EGEF C=C1C[C@@]23C[C@H]1CC=C2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)OC 2356693396 HQSDLFRIZKDOEE-DJBYIRNWSA-N 328.408 3.174 30 1 EGEF C=CCC1=C[C@@]2(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc(C)c(OC)c1)[C@@H]2C 2356707911 AVSXXIMSXZTQPO-JBYCIGCPSA-N 340.419 3.393 30 1 EGEF O/N=C(\NCc1cc(F)cc(F)c1)c1cccnc1OC1CCC1 72101357 VUJMZBPQGSFYHX-UHFFFAOYSA-N 333.338 3.217 30 1 EGEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)/C(C)=C/C/C=C(\C)CC[C@H]2O 139553715 OASCGMGKXPPAEW-GJHMOWRGSA-N 334.456 3.443 30 1 EGEF N#C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 221939578 SAXAMVZZDYRTOQ-WOZUAGRISA-N 345.446 3.045 30 1 EGEF COc1cc2c(cc1OC)C(=O)/C(=C/[C@H]1CN1Cc1ccccc1)C2 1772650591 UQDADZYITBDQEY-GOKSOEQSSA-N 335.403 3.253 30 1 EGEF Cc1nn(C(=O)[C@H](C#N)/N=N/c2ccccc2[N+](=O)[O-])c(C)c1C 169691245 CPAZKNWUSPJTGB-BZSIDJSBSA-N 326.316 3.033 30 1 EGEF N#Cc1ccc(Cn2[nH]c(=NC(=O)c3ccoc3)c3ccccc32)cc1 1857614698 HXKUTOKNDLXFGZ-UHFFFAOYSA-N 342.358 3.223 30 1 EGEF C#C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cccc2ccccc12 2356305333 VJRSPJGLKGDSJB-SZMVWBNQSA-N 349.503 3.470 30 1 EGEF CC(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(C#N)cc3C2)CC1 100908824 MDNAENMGHFQWFO-MOBUCQHHSA-N 325.456 3.001 30 1 EGEF CCCCCCCCC[C@H](O)C=C[C@H](O)[C@@H](O)CCCC(=O)O 2356570152 XYVMMUYIQOLBNH-ULQDDVLXSA-N 330.465 3.021 30 1 EGEF CC=C(C)C(=O)Oc1cc(C)ccc1[C@]1(COC(=O)C(C)C)CO1 2356655045 VCVMMEZVZPFGOV-IBGZPJMESA-N 332.396 3.291 30 1 EGEF CCCCCCCC(=O)N1CCN([C@@H](C#N)c2cccnc2)CC1 38140133 HOSTVTZHWSJRGU-SFHVURJKSA-N 328.460 3.151 30 1 EGEF CCCCN(CC)Cc1c(CC)nc2cc(/C=C/C(=O)NO)ccn12 143662563 PJELLURCDOQCAG-CMDGGOBGSA-N 344.459 3.037 30 1 EGEF COc1cc2c3c(c1)O[C@](C[C@H](C)C#N)(c1cccnc1)[C@@H](C2)C3=O 587436831 UQXBYWYWUPICNF-SLSDUTBNSA-N 334.375 3.283 30 1 EGEF CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)O/C(=C(\CO)C(=O)C=O)C[C@H]21 15166233 SOCXIASRGRBOAM-DCPVUEKUSA-N 334.456 3.422 30 1 EGEF C=C(C)[C@H]1C[C@]2(C)[C@H](C[C@H](O)C[C@H]2C)[C@@H](OC(=O)C=C(C)C)[C@H]1O 17109001 JGLTUIDSFQWPBH-MIXPNXBUSA-N 336.472 3.235 30 1 EGEF COc1ccccc1-c1c(C)nn2c(N(C)CCC#N)cc(C)nc12 3063621 DVUYHCZXXBNYTG-UHFFFAOYSA-N 335.411 3.372 30 1 EGEF COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1O 2356480556 IOOHDWLSBIIPCT-UHFFFAOYSA-N 338.359 3.361 30 1 EGEF Cc1ccc(O)c(C(=O)C=Cc2cc(C(=O)O)cc3c2OCOC3)c1 2356851741 QJICDCPWZSHQHC-UHFFFAOYSA-N 340.331 3.161 30 1 EGEF Cc1noc(C)c1-c1ccc2c(c1)[C@](O)(C#Cc1ccccc1)C(=O)N2 219520355 AQYIBHLSQCAXFT-OAQYLSRUSA-N 344.370 3.150 30 1 EGEF CC(C)c1ccc(Oc2ncccc2/C(=N/O)N2CCOCC2)cc1 72182636 QZZJHWAIDVNJID-UZYVYHOESA-N 341.411 3.465 30 1 EGEF C=C1C2=CC(=O)[C@H](C)[C@@]1(C)CC[C@]1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]1C2=O 2356400193 SSFZHIUXTRJVFK-KIPZINNNSA-N 330.424 3.152 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)CCC=C(C)C[C@H](O)[C@@H]12 2356422249 KKAPMISEUVNCQQ-FCGDIQPGSA-N 332.440 3.219 30 1 EGEF CCC=CC=C(C)C=CC=C[C@H](O)CC(=O)NC1=C(O)CCC1=O 2356677287 NWXCMIPYEHNXHW-HNNXBMFYSA-N 331.412 3.011 30 1 EGEF C=CC[C@@H](OC(=O)N[C@@H](CC(C)C)C(=O)NCC#N)c1ccccc1 82065202 AHWFPZIKILLEFJ-DLBZAZTESA-N 343.427 3.084 30 1 EGEF C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587093488 FKDQKLVCJJWGAK-GSVOUGTGSA-N 343.202 3.249 30 1 EGEF C=CC[C@@]1(CNC(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 587470380 MEVXEPNELWGWPK-IBGZPJMESA-N 347.411 3.371 30 1 EGEF O=C(/N=C/Cc1ccc(Cl)cc1Cl)N1CCC[C@H](CO)C1 169722646 HMTIIHMZQUPHSF-OUYADRIKSA-N 329.227 3.431 30 1 EGEF COC(=O)N1C[C@@H](C#N)[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 26154280 LITCGJWHJXCYGN-ZBFHGGJFSA-N 344.411 3.322 30 1 EGEF CCCC1=NN[C@@](C)(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 28710448 JYMBBNZVFWBYEZ-OAHLLOKOSA-N 338.333 3.424 30 1 EGEF CCCC1=NN[C@](C)(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 28710449 JYMBBNZVFWBYEZ-HNNXBMFYSA-N 338.333 3.424 30 1 EGEF O=C(N[C@H](CC#Cc1ccccc1)C(=O)O)c1ccc2ccccc2c1 49072603 IIZVJSCXCNYCFJ-HXUWFJFHSA-N 343.382 3.465 30 1 EGEF in-vivo COc1ccc(Cl)cc1C#Cc1cnc(OC)c([N+](=O)[O-])c1C 587908799 CGXKJBSFENLPMK-UHFFFAOYSA-N 332.743 3.369 30 1 EGEF Cc1cc(-c2cc(Nc3ccn(C)n3)nc3[nH]cc(C#N)c23)ccn1 1772599568 NCCAAOKZIUHGAC-UHFFFAOYSA-N 329.367 3.282 30 1 EGEF O=C1C(Nc2ccc(OC(F)(F)F)cc2)=CC(=O)c2ncccc21 26503024 LDSVXHNPMQGREU-UHFFFAOYSA-N 334.253 3.355 30 1 EGEF C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C=CC1=CC(=O)O[C@H]1O 2356569412 LTDSIMVYGJFVGS-XXECKMAJSA-N 332.440 3.114 30 1 EGEF Cc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3ccccc3)c2)cc1 49808485 XQIUIGWSRPXATO-UHFFFAOYSA-O 346.410 3.174 30 1 EGEF COc1ccc(-c2ccn(CCC(C)C)c(=O)c2C#N)cc1OC 84758231 BXFCUYMBRDOZDY-UHFFFAOYSA-N 326.396 3.450 30 1 EGEF N#Cc1ccccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 43078988 HKLMCOFGYAINSJ-JXMROGBWSA-N 349.409 3.055 30 1 EGEF CC(C)C[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)NCC#N 82064911 DFHKRZRHJDLZRW-IBGZPJMESA-N 349.434 3.138 30 1 EGEF CCn1c(C(F)(F)c2cc(C)cc(C#N)c2)c(C(C)C)c(=O)[nH]c1=O 49037273 CULVKFDRUGXODF-UHFFFAOYSA-N 347.365 3.000 30 1 EGEF c1ccc(OCCO/N=C2\c3ccccc3OC[C@@H]2n2ccnc2)cc1 169311208 DVHPGIFUVZXUEB-LQTLECTNSA-N 349.390 3.317 30 1 EGEF CCCCCCCCCNC(=O)[C@H]1C(=O)N(O)C(=O)c2ccccc21 200451483 QVHZSCOUZNEGGH-INIZCTEOSA-N 346.427 3.009 30 1 EGEF N#Cc1cccc(-c2ccc3ncnc(NC4CCNCC4)c3c2)c1 4265808 OTOZEMOGHCKFTI-UHFFFAOYSA-N 329.407 3.332 30 1 EGEF Cc1nc(C2=C(C(F)(F)F)ON/C2=C2/C=CC(=O)C=C2O)cs1 100429601 LMSPKSZRXAJKHS-WQLSENKSSA-N 342.298 3.095 30 3 EGEF Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@]3(C2)O[C@@H]3CC[C@]12CO2 238761001 RFSNMFBYOUHKNE-NPIHVYMDSA-N 332.396 3.091 30 1 EGEF CC(=O)NC(=O)[C@@H]1C=C2C=CC=C[C@@H]2O/C1=N\c1ccc(Cl)cc1 95803158 XGROSMBMTONSEV-LVRDERPCSA-N 342.782 3.100 30 1 EGEF Cc1cc(Cl)ccc1C#Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 587066576 DXSQRDGVYHRGJC-UHFFFAOYSA-N 337.766 3.255 30 1 EGEF CCc1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1 587262050 MXKCPXUUEPGIEY-UHFFFAOYSA-N 337.335 3.182 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)NC(=O)CN2C 587909172 ROAKBIUTVJHHFZ-UHFFFAOYSA-N 326.783 3.137 30 1 EGEF Cc1cc(C#Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc1[N+](=O)[O-] 587262775 XSGAAJYZBYKQGT-UHFFFAOYSA-N 346.346 3.064 30 1 EGEF CC[C@H](S)[C@@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962656662 BSKRMBZLWAFYTR-IPELMVKDSA-N 344.480 3.257 30 1 EGEF CC[C@H]1S/C(=N/N=C(\C)CSc2ccc(S)cc2)NC1=O 64447832 GPDVSYNJINCAAF-GFQQVXNGSA-N 339.511 3.441 30 1 EGEF CCCCCC=CC[C@@]1(O)C=CC(=O)C1=CC=C[C@@H](O)CCC(=O)O 2356838924 MEOINZQEJRNAIG-OXQOHEQNSA-N 348.439 3.091 30 1 EGEF C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 38846705 ZHNTWXWAMWPYNI-VRKFFOFISA-N 332.440 3.076 30 1 EGEF C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2C=C[C@]2(C)[C@H](C(=O)CO)CC[C@H]12 253634537 PQNWXGPSXYSRRL-ZPMOIGASSA-N 328.452 3.472 30 1 EGEF C=C1C(=O)OC[C@H]1CCOC(=O)Nc1ccc(Br)cc1 299858584 DWDCQCBZNVKJIC-SNVBAGLBSA-N 340.173 3.117 30 1 EGEF COc1ccc(CCCc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1OC 587925802 QHEXXUMQDNASSX-UHFFFAOYSA-N 346.390 3.499 30 1 EGEF COC(=O)Nc1ccc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)cn1 587244631 HJXXYBPTMYSSQT-UHFFFAOYSA-N 327.731 3.328 30 1 EGEF COC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2C1=O 587404021 TVBWZRDFUXSIJH-FQEVSTJZSA-N 335.359 3.165 30 1 EGEF C[C@H](C#N)C[C@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962663205 JJGBMSBVPMJKAX-CJMONDIMSA-N 337.423 3.098 30 1 EGEF C=C1[C@@H](OC(=O)CC(C)C)C[C@H](C(C)C)[C@@H]2[C@@H]1CC(=O)[C@@H]2[C@@H](C)O 13337081 RJNJFKDVPIFVPQ-DRXPPAGNSA-N 336.472 3.379 30 1 EGEF in-man CCCCOc1ccc(/C(O)=C2\C(=O)CN([C@H](C)CC)C2=O)cc1 103296126 UIJLEKUUPYAQCC-XAGMJWQQSA-N 331.412 3.344 30 1 EGEF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@@H]3CC[C@@]12C 2356556418 AEURCGYCQQYILP-RFVXBFLTSA-N 332.440 3.175 30 1 EGEF CC[C@H](C)Nc1ncc(C(=O)N2CCCC2)c(-c2ccc(C#N)cc2)n1 82158674 MEGQJQVASWWNCG-AWEZNQCLSA-N 349.438 3.462 30 1 EGEF COC(=O)C(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587905084 KJERTCOZAGUIKN-UHFFFAOYSA-N 328.751 3.104 30 1 EGEF CCCCCCCC(=O)NCCCc1nc2ccc(CO)cc2[nH]1 587228079 IAMXUYIPPKMJRS-UHFFFAOYSA-N 331.460 3.465 30 1 EGEF COC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 587899597 ALJDJQMKWVMHOY-UHFFFAOYSA-N 345.738 3.443 30 1 EGEF CCc1ccc(/N=C2\S/C(=C\c3ccnc(N)c3)C(=O)N2C)cc1 1772584146 QYBSALZKQFIJDX-WVPXGCSDSA-N 338.436 3.460 30 1 EGEF N#C[C@@H]1CCCN1C(=O)[C@@H]1CCC=C1C(=O)CCCc1ccccc1 13584672 CQOGRJBEZFMVTP-PKOBYXMFSA-N 336.435 3.429 30 1 EGEF c1ccc2c(c1)C(=NCCN1CCOCC1)c1ccccc1[C@H]1C[C@H]21 27078909 DIPXECUEJUTKMY-NHCUHLMSSA-N 332.447 3.441 30 1 EGEF C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)C(=O)C=C[C@@]3(C)[C@@]2(O)CC1 2356859105 SRDUJXZBMCRZKJ-XUVXKRRUSA-N 328.408 3.196 30 1 EGEF C=CC[C@@]1([C@@H](C)Cc2ccc(O)c(OC)c2)C=C2OCOC2=CC1=O 13311453 UXNVRYGLQIBWDQ-RBZFPXEDSA-N 342.391 3.497 30 1 EGEF biogenic N#Cc1ccc(-c2cnc3ccc(NCCc4cccnc4)nn23)cc1 45227427 UCMWHGMHOSHUOB-UHFFFAOYSA-N 340.390 3.318 30 1 EGEF C/C(COc1ccccc1)=N\N=C1/NC(=O)[C@H](c2ccccc2)S1 95579330 VSXRHTSLIGNCLO-UOEVCUDDSA-N 339.420 3.402 30 1 EGEF O=C1Cc2cc(Cc3ccc(-c4ccncc4)cc3)ccc2C(=O)N1O 299844480 AIULDGIMEZNMLG-UHFFFAOYSA-N 344.370 3.254 30 1 EGEF C#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccn1 587881830 DGPUUOQTANARLN-UHFFFAOYSA-N 343.213 3.080 30 1 EGEF CCOc1ccccc1OCc1nc2cc(Cl)nc(C#N)c2[nH]1 587780642 XAMXGNIWOYXMHN-UHFFFAOYSA-N 328.759 3.461 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(S(C)(=O)=O)cc1F 587916454 LXEZALFXWOBNIH-UHFFFAOYSA-N 338.787 3.291 30 1 EGEF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)CC1(C#N)CCOCC1 963637564 SPVATEHTQKSJRB-KUHUBIRLSA-N 344.455 3.164 30 1 EGEF CN1CC[C@@]2(CC1=O)c1ccccc1CCN2[C@H](C#N)c1ccccc1 963186854 GZPIUVHJEKQMQI-IFMALSPDSA-N 345.446 3.257 30 1 EGEF C[C@H](CO)NC(=O)c1ccc2cc(Oc3ccc(C#N)cc3)ccc2n1 584630219 SOCPRJLYLCZUSN-CYBMUJFWSA-N 347.374 3.009 30 1 EGEF CC1=[N+](C)N(c2ccccc2)C(=O)[C@H]1/N=C/c1ccccc1Cl 101637869 DEWPWDDDYVSIMY-RONKMWSCSA-N 326.807 3.193 30 3 EGEF COc1ccc2cc1Oc1ccc(cc1)[C@@H]1O[C@H]1COC(=O)CC2 26737789 KSQLEJQOXHLRAH-HKUYNNGSSA-N 326.348 3.417 30 1 EGEF C=C1[C@H]2CC[C@H]3[C@](CC[C@H]4[C@@H](CO)C[C@@H](OC(C)=O)C[C@]43C)(C2)[C@H]1O 2356835028 KNIWPJFFKYTHNW-IZDNXZLZSA-N 348.483 3.070 30 1 EGEF N#CCCN(Cc1cccnc1)Cc1coc(-c2ccc(O)cc2)n1 72141512 ZVAAUWCEVRAVMN-UHFFFAOYSA-N 334.379 3.358 30 1 EGEF C#CCNC(=O)CSCc1nc(-c2ccc(OCC)cc2)oc1C 198318071 JQXOSOSQEZWUGN-UHFFFAOYSA-N 344.436 3.031 30 3 EGEF CCCCNC(=O)c1cnc(N(C)CC)nc1-c1ccc(C#N)cc1 82154469 KDHPURVAJVDDQB-UHFFFAOYSA-N 337.427 3.001 30 1 EGEF C#CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440002 MZEZGILQFTWNLU-UTKZUKDTSA-N 334.371 3.370 30 1 EGEF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(O)c(C#N)c3)nc2c1 587188002 MCIBVGZXCRCBEV-UHFFFAOYSA-N 327.727 3.247 30 1 EGEF C[C@@]1(CCCC=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600592 BKAXAZRXXASCNL-APWZRJJASA-N 326.348 3.482 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(C(=O)O)c2n1 587913316 PGKFJMXHNRSXQR-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF C=CCN1N=C(c2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C1=O 13474081 WIOFCDPOPOOQNI-LSDHHAIUSA-N 328.412 3.243 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)CC[C@H]3O[C@]3(C)CC/C=C(\C)C[C@H](O)[C@@H]12 165697270 QDVFXUZZNWQOPD-MKCXSCKUSA-N 332.440 3.459 30 1 EGEF C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)[C@H]1CC(=O)C1=C[C@H](O)OC1 2356545085 DFSMOOXWMAHZGO-ZCDKGFTFSA-N 332.440 3.198 30 1 EGEF CC(=O)O[C@H]1C(C)=C[C@@]2(C)[C@@H](C)CC[C@H]3O[C@@]32CC[C@H]1OC(C)=O 2356765147 UPYMCEHJCPVDSR-JMIVNMFKSA-N 336.428 3.164 30 1 EGEF COc1ccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)c(C#N)c1 142344003 IWUMVRRFKALVSM-OAHLLOKOSA-N 332.403 3.034 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H](O)/C=C(\C)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238735601 DNLWUIJEVXJWBD-QSCDRUNGSA-N 348.439 3.089 30 1 EGEF C=C1CCC[C@@]2(C)C[C@@H](O)[C@@]3(O)O[C@@]12C[C@@]3(C)CCC(=O)C(C)C 238766246 PXEKVOBSMMMKPX-UJMXGEILSA-N 336.472 3.357 30 1 EGEF COc1cc2c3c(c1)O[C@@](C[C@H](C)C#N)(c1cccnc1)[C@@H](C2)C3=O 587436828 UQXBYWYWUPICNF-APXLUKDGSA-N 334.375 3.283 30 1 EGEF O=C(NO)c1cnc(NC2(c3cc(F)cc(F)c3)CCCCC2)nc1 1772614036 WOLDTCAJCLOSTN-UHFFFAOYSA-N 348.353 3.145 30 1 EGEF COc1ccc(C[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1N 13780614 QAVHCLCZUWMISC-CQSZACIVSA-N 342.395 3.153 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3C[C@@H](O)C(C)=CCCC(C)=CC[C@@H]12 2356674234 ZRITUCVRNQEAPN-ZIVNCQHPSA-N 332.440 3.459 30 1 EGEF CCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1 36216715 RBMOPDXMDCXDDP-ZBJSNUHESA-N 338.455 3.035 30 1 EGEF Cc1nc2cc3c(cc2c(=O)n1/N=C/c1ccc(C(C)C)cc1)OCO3 45340255 SPDNFCXGOBFKJM-UFFVCSGVSA-N 349.390 3.439 30 1 EGEF COc1ccnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587889530 MZKXOJZINJGFEP-UHFFFAOYSA-N 349.217 3.107 30 1 EGEF CCS(=O)(=O)c1ccc(C=NNc2nc3ccccc3o2)cc1 16892175 YZHSECYIDNWEPD-UHFFFAOYSA-N 329.381 3.067 30 3 EGEF C=C1C[C@@H](O)/C=C(/C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 169293309 ZHNTWXWAMWPYNI-GITGNRPESA-N 332.440 3.076 30 1 EGEF C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@]2(C)C[C@H]2C(=O)C=C(C)C(=O)C1 2356678187 WEJWONOQPGYTMK-UHWHQUHESA-N 328.408 3.325 30 1 EGEF C#CCSc1nc(Cl)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)n1 215975965 OEEPENHXUHODOC-UHFFFAOYSA-N 330.756 3.302 30 1 EGEF CC1=C[C@@]2(O)C(=O)[C@H](C)CCC(C)(C)[C@@H]3CC[C@@](C)(/C=C\2C1=O)O3 238785282 DIFCOVWODQVBLT-AXDMSLDGSA-N 332.440 3.136 30 1 EGEF COC(=O)COc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587907130 FHPCUIXOIRUJFK-UHFFFAOYSA-N 330.767 3.300 30 1 EGEF C[C@@H]1CC[C@@H](O)[C@@](C)(O)[C@@]1(C)CCc1ccc2c(c1)C(=O)C=CC2=O 13407923 NJQYJWPUYFYJJK-NHDXWUKRSA-N 342.435 3.103 30 1 EGEF CC(C)(C)NC(=S)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8566323 QPYGTYKQZIZYMB-YVLHZVERSA-N 346.412 3.451 30 3 EGEF COc1ccc(/C=C2\CN(CC(=O)O)c3c(C)cccc3C2=O)cc1 103207521 MENOZBVGUYBSHM-XNTDXEJSSA-N 337.375 3.175 30 1 EGEF COc1cc([C@@H]2C3=C(O)CCCC3=Nc3c(C#N)cnn32)ccc1O 103693037 MHUGTLGDGVYKNH-QGZVFWFLSA-N 336.351 3.140 30 1 EGEF CC[C@@H]1OC(/C(C)=C/COc2ccc3ccc(=O)oc3c2)=CC1=O 26734496 OJPRKWVJBFWARD-RCLKMUNOSA-N 326.348 3.380 30 1 EGEF CCCCCCCCC[C@H](O)C=C[C@@H](O)[C@H](O)CCCC(=O)O 2356570151 XYVMMUYIQOLBNH-GVDBMIGSSA-N 330.465 3.021 30 1 EGEF Oc1ncn(C[C@@]2(c3ccc(F)cc3)O[C@@H]2c2ccccc2Cl)n1 2356875619 ZSDOCYUTMYKRND-WBVHZDCISA-N 345.761 3.443 30 1 EGEF C=C1C[C@H](OC(=O)CC(C)C)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@H]1O 13432613 CRXFVRRPHNCEQF-QQXMDYFESA-N 338.488 3.459 30 1 EGEF biogenic C[C@]12CC[C@@H]3[C@@H](CC[C@H]4c5nonc5CC[C@@]43C)[C@@H]1C/C(=N/O)C2=O 254133032 KINBHFUHBUNAOF-SVBHQXLHSA-N 343.427 3.351 30 1 EGEF N#Cc1cc(Br)c2[nH]c(-c3ccc(N)c(C#N)c3)nc2c1 587248957 GJBINHZLMAZEAA-UHFFFAOYSA-N 338.168 3.318 30 1 EGEF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 587938491 WMQDVZQAKUYMAI-FVMDXXJSSA-N 342.786 3.329 30 1 EGEF COc1ccc(C#Cc2ccc(C(=O)N3CCC(=O)[C@H](C)C3)cc2)cc1 169341532 GVXHYDSMFXCUHC-MRXNPFEDSA-N 347.414 3.146 30 1 EGEF CC[C@]1(C)Cc2c(c(S)n(-c3ccccc3)c(=N)c2C#N)CO1 101764433 OGVUZZWYJIJKIU-GOSISDBHSA-N 325.437 3.359 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@@H](OC(=O)C(C)=CC)[C@H]1O 2356631673 KSHIKWOUQJRNSY-BCQRVWEOSA-N 336.472 3.235 30 1 EGEF COC1=Cc2ccnc3c(NCCc4ccc(O)cc4)cnc(c23)C1=O 2356788130 BXWNQQWYSYEBBQ-UHFFFAOYSA-N 347.374 3.174 30 1 EGEF CCCCCCCCCCOCc1cnc2nc(N)nc(N)c2n1 43307660 RPBIXWKHVLOUPN-UHFFFAOYSA-N 332.452 3.242 30 1 EGEF C=C1[C@H]2CC3=C(COC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@]2(C)[C@H]2C[C@@H]12 238748549 LAOPDVQCVJUDMV-WQFOIGCBSA-N 328.408 3.340 30 1 EGEF C=CCCCN1C[C@@H]([C@@H](C)OC(=O)CCCc2ccccc2)C1=O 95571933 FLORGHJNTGTZHV-AEFFLSMTSA-N 329.440 3.366 30 1 EGEF C[C@H](O)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 255193466 AIPVEEYYOOGTAW-CFJMQXDBSA-N 332.484 3.486 30 1 EGEF C/C(=N/N=C1\SCC(=O)N1Cc1ccc(N)cc1)c1cccs1 653857487 FWXDZRHLMVMCSX-GVPHMVRHSA-N 344.465 3.186 30 1 EGEF CCOC(=O)[C@@H](C#N)[C@@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587386181 IPAZSOCQXWMJAF-BFUOFWGJSA-N 344.411 3.030 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c[nH]c2nccc(C(=O)O)c12 587911081 HITFKOCKMYFJJY-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF N#CC[C@@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586018 APFQVGINBANEEC-XLIONFOSSA-N 346.342 3.491 30 1 EGEF COC(=O)c1ccc2c(c1)Oc1c(C#N)c(F)c(F)c(C#N)c1O2 1772637448 XEPCQNMKFRCJHI-UHFFFAOYSA-N 328.230 3.393 30 1 EGEF C#Cc1cccc(C(=O)N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)c1 12439475 XRIDVVKSEDGVRJ-OAQYLSRUSA-N 344.458 3.030 30 3 EGEF Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCCO)n2)n[nH]1 71331763 BGZBKWGPSXTOCT-UHFFFAOYSA-N 328.420 3.001 30 1 EGEF CCCN(CC)c1ccc(C#N)cc1NC(=O)Nc1cnc(C#N)cn1 87612900 BPLMPQZVPOZMQN-UHFFFAOYSA-N 349.398 3.100 30 1 EGEF CC1=C2[C@H](O)[C@H]([C@H](C)C(=O)NCCC(C)C)CC[C@]2(C)C=CC1=O 254019280 VZTKKBZCBOZPNT-JEOGCQQLSA-N 333.472 3.017 30 1 EGEF N#Cc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1C(F)(F)F 586960615 WWURLPHPINRFAF-JOCHJYFZSA-N 327.331 3.112 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3O[C@H](CC#N)C[C@H]31)O2 587385746 GBOCPXKDCORCRG-AICUMBRKSA-N 326.396 3.153 30 1 EGEF O=C1N/C(=N\c2ccccc2[N+](=O)[O-])S/C1=C\c1ccc(O)cc1 103219927 RYXDFGDIKTWQLT-ZROIWOOFSA-N 341.348 3.192 30 1 EGEF Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2ccsc2)n1 29125167 JSWWVKVEIOUATR-UHFFFAOYSA-N 335.432 3.340 30 1 EGEF CCCCN1CNc2c(NCc3ccc(F)cc3)nc(C#N)nc21 40956027 DKTPPEQMGADFNF-UHFFFAOYSA-N 326.379 3.089 30 1 EGEF CCCCCCCC[C@H](O)[C@@H](O)[C@H](O)/C=C\CCCCC(=O)O 43078564 XADHJHFFBMPQOS-OVXXOIRXSA-N 330.465 3.021 30 1 EGEF Cc1nc2c(C#N)c(-c3ccc(Br)cc3)nc(S)n2n1 96932754 IGMUNYBWDOHTDO-UHFFFAOYSA-N 346.213 3.023 30 1 EGEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](O)C1=CC(=O)O[C@H]1O 473121880 HYOANESYDNMXHG-ZMHQTACCSA-N 334.456 3.338 30 1 EGEF N#Cc1ccc(-c2cnc3cnc(-c4ccc(CO)cc4)cn23)cc1 653748744 SRZGOWFNBRVUIW-UHFFFAOYSA-N 326.359 3.427 30 1 EGEF C=CCN1C(=O)S[C@@H](Cc2nc3cc(Cl)cc(C)c3[nH]2)C1=O 587038470 IXMCVFOFVULUPQ-NSHDSACASA-N 335.816 3.317 30 1 EGEF COc1cc(C(=O)/C(C)=C/c2ccc(OC)c(OC)c2)cc(OC)n1 1857557421 GVRAHYRLIMNCER-XYOKQWHBSA-N 343.379 3.402 30 1 EGEF N#Cc1cc(NC(=O)c2ccccc2)c(O)n2c1nc1ccccc12 4168917 ONADSZMYLBSEOC-UHFFFAOYSA-N 328.331 3.317 30 1 EGEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)C1=C[C@H](O)OC1=O 34534060 RWRUMHLQHKUMDS-TWGXZMITSA-N 334.456 3.338 30 1 EGEF COCOc1cc(OC)ccc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 73053485 FWWOBXXUALDLAJ-YHYXMXQVSA-N 343.335 3.482 30 1 EGEF COC(=O)Cc1cc(C#Cc2cc(Cl)ccc2OC)ccc1O 587902000 DQWVRCUGESMVAE-UHFFFAOYSA-N 330.767 3.170 30 1 EGEF N#Cc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1C#N 587156948 DGTNTSQRKXDKSC-UHFFFAOYSA-N 342.131 3.270 30 1 EGEF C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O 12496225 XEFVQCSDIKHROY-CAPFDLLWSA-N 332.440 3.190 30 1 EGEF endogenous,in-man O=C1C(c2ccc([N+](=O)[O-])cc2)=C(Cl)C(=O)c2c(O)cccc21 1635013 GFJJRPHPSPGQKX-UHFFFAOYSA-N 329.695 3.330 30 1 EGEF COC1=C[C@H](C(=O)N2CCCC2)[C@@H](C)[C@H](c2ccccc2)CC1=O 66157131 ZMZVKUPDLOQCPL-UAGQMJEPSA-N 327.424 3.148 30 1 EGEF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@@]45CC(=O)O[C@@H]4O[C@@H](O5)C3=CC(=O)[C@H]12 2356585770 BKJQOXVYESWIQG-JZXMJLAOSA-N 346.423 3.123 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(COC(=O)CC(C)C)[C@H](O)C[C@H]12 2356653970 MYMQDSZSSGZQTM-KZNAEPCWSA-N 348.439 3.091 30 1 EGEF C(#Cc1ccc(CN2CCCCC2)cc1)CCN1CCSCC1 38476915 GDYHPPIZJGVVQO-UHFFFAOYSA-N 328.525 3.463 30 1 EGEF Cc1ccc(/C(=N/O)N(C)Cc2cccnc2)c(Oc2cccnc2)n1 72101346 DDZQIQOPAHWQPY-NKFKGCMQSA-N 349.394 3.240 30 1 EGEF CCCCCCCC(=O)Nc1cc(OCC(=O)O)cc(C(=O)O)c1 43938768 HXGXCAOPUXJYCJ-UHFFFAOYSA-N 337.372 3.147 30 1 EGEF CCCCCCCCCCC#Cc1csc([C@@H](O)[C@@H](N)CO)n1 43815505 LWTUMQBYHYGOTM-IRXDYDNUSA-N 338.517 3.378 30 1 EGEF N#CC[C@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555771 MAQFTTNAMJILRX-GUYCJALGSA-N 331.274 3.271 30 1 EGEF COCC1=C(C(=O)OC)[C@H](c2ccccc2Cl)[C@H](C#N)C(C)=N1 169724040 MVBBGECPMAQJJJ-IUODEOHRSA-N 332.787 3.111 30 1 EGEF CC=C1C(=O)C[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356624832 QAKWWXLYSGFAQN-DLBHYYJZSA-N 330.468 3.406 30 1 EGEF O/N=C(\NCc1cccnc1)c1ccnc(Oc2cccc(F)c2)c1 72183362 LCIBBWZTHGNGES-UHFFFAOYSA-N 338.342 3.334 30 1 EGEF O=C1ON=C(c2ccc(O)cc2)/C1=C/c1ccc(N2CCCC2)cc1 34799881 PFTGETJOLHYFLD-AQTBWJFISA-N 334.375 3.337 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(\CO)CC/C=C(\C)CC/C=C(\C)[C@H]2O 40901326 IAWHPIHHKZYGDC-WTDAPOCQSA-N 332.440 3.221 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)O)c1[N+](=O)[O-] 587900147 MPNLFHKMBNXMIP-UHFFFAOYSA-N 331.711 3.355 30 1 EGEF Cc1csc2c1/C(=N/N=C(N)N)C[C@@H](c1ccccc1Cl)C2 13474692 HRBMIVZJZYCJTK-MDSXTQFQSA-N 332.860 3.417 30 1 EGEF C=C[C@](C)(O)C[C@H](C=C(C)C[C@@H](C=C(C)C)OC(C)=O)OC(C)=O 2356677950 ZWCHRIPZSGWZAL-QYZOEREBSA-N 338.444 3.480 30 1 EGEF C=C[C@]1(C)CC[C@@H]2C(=C[C@@H](O)[C@H]3[C@@](C)(C(=O)O)C(=O)CC[C@]23C)C1 238781110 RWGKIVMZHPDMAP-JGHPTVLTSA-N 332.440 3.356 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C[C@@H](CN)CO2 587909354 UCSDPUAMWXGUDU-AWEZNQCLSA-N 327.811 3.258 30 1 EGEF N#Cc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(NC2CCCCC2)n1 1772642618 KJSQAFPATOUENW-UHFFFAOYSA-N 339.359 3.140 30 1 EGEF C1=CC2=NC(N/N=C/c3ccnc4ccccc34)=C3CC=CN3[C@H]2C=C1 1772584597 WDAWARYCHWGIOT-WQZUMXOESA-N 339.402 3.496 30 1 EGEF CC(C)C1=CC(=O)[C@]2(CC1)OC(=O)C[C@@H]1C(C)(C)[C@H](O)CC[C@]12C 2356336401 KFEZPUHNOOFISQ-IONDEXAJSA-N 334.456 3.421 30 1 EGEF Cc1cccc(C(=O)C2=C(N(C)C)C(=O)NC3(CCC3)C23CCC3)c1 28095893 MCUIQHYDYIUAFC-UHFFFAOYSA-N 338.451 3.216 30 1 EGEF Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2ccccc2)n1 29125622 UGNGYXRNKAYWJE-UHFFFAOYSA-N 329.403 3.279 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@@H](OC(=O)CC(C)C)[C@@H]12 2356493963 MITPFWVPAIMKDV-YWTNHNAXSA-N 348.439 3.089 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CCC(C)=C[C@H](OC(=O)C=C(C)C)[C@@H]12 2356524220 VKLNEZVZWPYGAE-QQRQNBNMSA-N 346.423 3.250 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CC=C(C)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356614413 TXMPZNDZQFKJQU-RXFYRGCNSA-N 346.423 3.250 30 1 EGEF C=C1C[C@@]23C[C@H]1CC=C2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)OC 2356693394 HQSDLFRIZKDOEE-BLUZDYNSSA-N 328.408 3.174 30 1 EGEF C=C1C[C@]23C[C@H]1CC=C2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC 33952888 HQSDLFRIZKDOEE-VLDRLYBHSA-N 328.408 3.174 30 1 EGEF biogenic,in-vitro C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 238779842 QFINJHBXXJQKPB-UNYVMELBSA-N 346.423 3.010 30 1 EGEF CCN1C=C[C@@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@H]21 253809502 RQWFHOCWLIUNTF-CZUORRHYSA-N 341.407 3.225 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C(F)F)N1 587720914 OVUQLFUZNMOGHI-FUXBKTLASA-N 333.151 3.496 30 1 EGEF CSc1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1C#N 587412293 YLAKFVCTEMFPBX-HNNXBMFYSA-N 325.393 3.272 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(F)c([C@](C)(N)C(=O)O)c1 587915369 MOEFXTGCTHXCFL-SFHVURJKSA-N 347.773 3.146 30 1 EGEF Oc1nc(S)nc2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc12 586903411 PPDUQZCAAHJBDE-UHFFFAOYSA-N 334.360 3.007 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2cc(C(=O)O)[nH]c2cn1 587913200 KGILQJNROHQPFS-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF CC(C)c1onc(C(=O)Nc2sc3c(c2C#N)CCC3)c1[N+](=O)[O-] 4937679 RBPYKAORWIFMTB-UHFFFAOYSA-N 346.368 3.380 30 3 EGEF O=C1C(N2CC2)=CC(=O)c2nc(-c3ccc4ccccc4c3)ccc21 26828286 DNHHBZFFJZMZJU-UHFFFAOYSA-N 326.355 3.480 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)C(=O)CC[C@H](C)[C@H](OC(=O)C(C)=CC)C[C@H]12 2356489992 RUHDFIFDAUWXFM-DETOBHCWSA-N 348.439 3.378 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC(=O)C[C@H]2C)[C@H](OC(=O)C(C)=CC)[C@H]1O 2356626397 WLNBDZUPCWZZJJ-SUQNTFLGSA-N 334.456 3.443 30 1 EGEF C=C1CC[C@@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@H]2C(=C)CC[C@@H]1O 2356683012 DKAXGACCDFMXHY-NJAFHUGGSA-N 332.440 3.076 30 1 EGEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H](OC(C)=O)C(=O)OC 2356795437 MALPJVTVFUHQQW-ZFSNVMTLSA-N 336.428 3.021 30 1 EGEF C=C1C(=O)O[C@H]2C[C@]3(C)O[C@@H]3CC/C(C)=C/[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238783642 DTOFRQNTRKNUMY-DSYJWJLYSA-N 346.423 3.250 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C/C=C/[C@](C)(O)CC[C@@H]3O[C@@]3(C)CC[C@@H]12 238755829 FTWOERARESUNOJ-JFMQMBQTSA-N 332.440 3.459 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(C)CC/C=C(\C)CC/C=C(\C)[C@H]2O 96903827 HVJGVUTXXJGUKC-CZAZWBCNSA-N 332.440 3.459 30 1 EGEF COC(=O)c1cnc2[nH]cc(C#Cc3cc(Cl)ccc3OC)c2c1 587911198 NFGFFAYHKHIJHC-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF CC#CCCCCCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 587956942 MWZHAPJFTZCDAE-UHFFFAOYSA-N 333.457 3.117 30 1 EGEF O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)co1 587887779 ADYZTMJMWSRMLB-UHFFFAOYSA-N 336.174 3.109 30 1 EGEF C[C@@]1(O)CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 13859996 VOSJYQCPCAXSLK-OAQYLSRUSA-N 336.435 3.451 30 1 EGEF C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/[C@@](C)(O)CO)C[C@@H]1O 169361135 NWBHMZVDIALTDH-HALZQRHNSA-N 336.472 3.031 30 1 EGEF CC1(C)CC(=O)C=C(Nc2ccccc2NC(=O)c2cnccn2)C1 1351633 DFURLXDZRUOIDW-UHFFFAOYSA-N 336.395 3.414 30 3 EGEF C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)C=C(C)CCC=C(C)[C@H]2OC(=O)CC(C)C 2356384001 HYVHAPROKWELKE-LULLPPNCSA-N 348.439 3.089 30 1 EGEF C=C1C(=O)[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2[C@H](O)C[C@H]1C3 2356387732 FUHHXQHMWOVSNL-VNOCETTFSA-N 346.467 3.278 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H]3O[C@@]3(C)CC/C=C(\C)C[C@H](OC(=O)[C@H](C)CC)[C@@H]12 238733432 CTGZTWRVWWXORU-CWBSQMFJSA-N 348.439 3.330 30 1 EGEF C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(/C)CC[C@H](O)[C@]2(C)CC[C@@H]1O2 238777114 LJAXIDCBOWLLHK-XIHMGPPDSA-N 334.456 3.048 30 1 EGEF COc1cc2c3c(c1O)[C@H]([C@@H]1C=CC(=O)CC1)CC[C@H]3N(C)CC2 238732294 PNAHATNOKIMNGE-UHOFOFEASA-N 327.424 3.343 30 1 EGEF C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)C(=CCO)CC[C@@H]12 2356390847 FIMYJWIQTVIDQB-OLGWUGKESA-N 328.452 3.184 30 1 EGEF C=C[C@]1(C=O)C[C@H](OC(=O)[C@H](C)CC)[C@@H]2C(=C)C(=O)O[C@H]2[C@H]1C(=C)C 2356425102 FOBYLSACEYVQOU-MQMIVJLSSA-N 346.423 3.009 30 1 EGEF Cc1ccc(Oc2nc(C)ccc2/C(=N/O)NCCN(C)C)c(C)c1 72184316 SWZNKBVNBGELCT-UHFFFAOYSA-N 342.443 3.086 30 1 EGEF CC1(CC(=O)O[C@@H](C#C[Si](C)(C)C)Cc2ccccc2)OCCO1 195494495 JYQMZGRHGJRPSR-KRWDZBQOSA-N 346.499 3.175 30 1 EGEF C=C(C)[C@H]1C[C@]2(C)[C@H](C[C@H](O)C[C@H]2C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1O 238741334 KSHIKWOUQJRNSY-LZQHCKPISA-N 336.472 3.235 30 1 EGEF COC(=O)c1nc2cc(C#Cc3cc(Cl)ccc3OC)ccc2[nH]1 587907042 CADFZDDXNJKOLU-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF C=C1C[C@](C)(COc2ccc3c(C)c(C)c(=O)oc3c2C)OC1=O 5957125 ZTAQZLVRTRINNV-LJQANCHMSA-N 328.364 3.359 30 1 EGEF C=C1CCC=C(C)C[C@@H]2OC(=O)C(=C)[C@@H]2CC=C(CO)CC[C@@H]1O 2356428212 BNELYNVRKNPZHR-FHWLQOOXSA-N 332.440 3.221 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3C=CC(=O)[C@]3(C)[C@H](OC[C@H](C)CC)[C@H]12 2356430109 GOJTXXYQSISDGW-NRUSBEHCSA-N 332.440 3.317 30 1 EGEF CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=N\OC 28955847 PWBITTVWPSCIIC-XUTLUUPISA-N 337.375 3.424 30 1 EGEF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](C)CC[C@@H]3O[C@@]31[C@H]2O 2356550610 ICAKWODMRWJSPW-BFUSKYBCSA-N 334.412 3.449 30 1 EGEF CN1C=Cc2cn(C)c3c2[C@@H]1C=C(NC=Cc1ccc(O)cc1)C3=O 2356872931 YEDDEJMSUDDPRB-KRWDZBQOSA-N 333.391 3.029 30 1 EGEF COc1ccc(/C=N\Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 33704763 IFBWUVGRCCHEGR-ODLFYWEKSA-N 336.399 3.042 30 1 EGEF COc1c([C@@H](CC=C(C)C)OC(C)=O)cc(O)c2c1C(=O)C=CC2=O 6363183 SCIUCADXFKAPEB-MRXNPFEDSA-N 344.363 3.297 30 1 EGEF biogenic C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]21O[C@@H]1CO 49033669 FMOHTQBFGJULLE-XXHSLLPRSA-N 332.484 3.440 30 1 EGEF N#Cc1cccc(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2F)c1 149927130 WCEOEKIGWSVPFZ-KRWDZBQOSA-N 340.358 3.002 30 1 EGEF COc1ccc(/C=N/c2ccc(N3CCOCC3)c(F)c2)cc1OC 299872087 ZXXCRQXAGSVMMZ-FYJGNVAPSA-N 344.386 3.430 30 1 EGEF Cc1c(O)ccc2c1[C@](CC#N)(C[C@@H](C)C(C)(C)C)N[C@H](C(=O)O)C2 963528633 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C=C1[C@H]2CC3=C(COC(=O)C=C(C)C)C(=O)O[C@H]3C[C@@]2(C)[C@H]2C[C@@H]12 2356431313 LAOPDVQCVJUDMV-UBGXMQACSA-N 328.408 3.340 30 1 EGEF O/N=C(\NCc1cccnc1)c1ccc(Oc2ccc(F)cc2)nc1 72181795 GHABGHZJHMNWOB-UHFFFAOYSA-N 338.342 3.334 30 1 EGEF Cc1ccc(C#Cc2nc3ncccc3nc2O[C@@H](C)CN(C)C)cc1 72179022 ZKUDUFMFAOXFMC-INIZCTEOSA-N 346.434 3.062 30 1 EGEF C=C1[C@H](OC(=O)C=C(C)C)[C@@H](O)[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)C[C@@H]12 238733092 JVHNNPVCABIONL-NVXOPGGGSA-N 332.440 3.219 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(N)cncc1Br 587908312 QCYDMOZNOQOCGR-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055589 OFZBWMAOTOZJBJ-ZBFHGGJFSA-N 343.770 3.055 30 1 EGEF C=CCN(CC)C(=O)[C@@]1(c2ccccc2)[C@@H](CN)[C@@H]1c1ccccc1 29046895 RTMQOOCMZQWPBD-ONTIZHBOSA-N 334.463 3.331 30 1 EGEF CC=C(C)C(=O)OC[C@]12CCC3=C(C)C(=O)O[C@H]3C=C(C)CC[C@H]1O2 2356693711 NNJJZBWGTBSKOJ-SQGPQFPESA-N 346.423 3.396 30 1 EGEF C=C(C)[C@H]1CC[C@@]23CC[C@@H](C[C@H]2[C@]1(C)CCC(=O)O)[C@@](O)(CO)C3 35029417 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C[C@@H](O)CC#C[C@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21 299819077 BEIGSKZKRNOYJY-OQPBUACISA-N 333.693 3.434 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(=O)c(C#N)c[nH]c2c1 587907025 BYDAUUFZIPYMKZ-UHFFFAOYSA-N 334.762 3.462 30 1 EGEF CN(C)C(=O)[C@@]1(C)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963196024 QAPVNXPKERIJBL-TZIWHRDSSA-N 333.435 3.113 30 1 EGEF C=CCOc1cccc(Oc2ccccc2/C(=N\OC)C(=O)NC)c1 103192953 JQUDFLMBGQNFBJ-DYTRJAOYSA-N 340.379 3.140 30 1 EGEF C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(CC[C@H]12)C(=O)C1=C(CC3)C(=O)OC1 2356713422 IEYINPWMOVCJIM-BEVDRBHNSA-N 344.407 3.190 30 1 EGEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C3=C(C)C(=O)C=C[C@@]3(C)CC[C@H]21 2356740569 SSCJYULVYLIUJD-ACSHBGDTSA-N 344.407 3.052 30 1 EGEF CC(C)=CC[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)C[C@@H](C)O[C@]431)C2=O 299813837 REMHECGSDXLQKX-JOXYBWGKSA-N 330.424 3.152 30 1 EGEF COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(C#N)c2[nH]1 587066910 JFJJDPOCPUUALY-UHFFFAOYSA-N 341.754 3.488 30 1 EGEF COc1cc2c3c(c1)O[C@@](CC#N)(c1cccc(C#N)c1)[C@@H](C2)C3=O 587426342 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348.314 3.148 30 1 EGEF COc1ccc(/C=C/C(=O)c2nc(O)c3ccccc3n2)cc1OC 1857598368 ZBZWZLRNNRISID-VQHVLOKHSA-N 336.347 3.249 30 1 EGEF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=CCO 1857742011 SBMHTRUNPKWTLU-AUYGFBLUSA-N 330.468 3.408 30 1 EGEF CC[C@H](C)/N=C(\O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)CC 4730744 JOISEXVSZYMCRK-OFQRWUPVSA-N 340.489 3.443 30 1 EGEF O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2C1=O 100374800 BUPAMFGRFQGRCA-YPKPFQOOSA-N 341.164 3.421 30 1 EGEF CC1=C[C@]2(O)C(=O)[C@H](C)CCC(C)(C)[C@H]3CC[C@@](C)(C=C2C1=O)O3 2356420498 DIFCOVWODQVBLT-HHLQROKJSA-N 332.440 3.136 30 1 EGEF COc1ccc(C(=O)C=Cc2cc(O)c(OC)c(OC)c2)c(O)c1 2356437209 LCZOTWWEOAREMY-UHFFFAOYSA-N 330.336 3.020 30 1 EGEF C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C=CC1=CC(=O)O[C@@H]1O 2356569406 LTDSIMVYGJFVGS-JVVIJLGSSA-N 332.440 3.114 30 1 EGEF C=C1CCC=C(C)CC[C@H]2C(=CCC=C(CO)CO)COC(=O)[C@H]12 2356650548 JOKXSQBLJTXDIX-RBUKOAKNSA-N 332.440 3.080 30 1 EGEF C[C@@H](O)[C@@H]1C(=O)C[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356742286 IHQXZVCCBKQVHK-YEWDDEAESA-N 328.452 3.470 30 1 EGEF CCOC(=O)c1c2c(n3ccc(CC)cc13)C(=O)C(C)=C(C)C2=O 73222964 GCLMLBZLGAXNRG-UHFFFAOYSA-N 325.364 3.394 30 1 EGEF Cc1ccc(Oc2ccc(/C(=N/O)N3CCSCC3)cn2)cc1 72186118 SKUCYRKSBVLAOW-ZPHPHTNESA-N 329.425 3.367 30 1 EGEF CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)CC(C)C)C1 238753906 DFAANSZXNZEUGY-NXVITZKSSA-N 348.439 3.020 30 1 EGEF O=C(NCc1ccc2cc(C(=O)NO)sc2c1F)c1ccccc1 299863659 LIBQGVNHBUEOLL-UHFFFAOYSA-N 344.367 3.089 30 1 EGEF C=C1C(=O)OC[C@@H]1CCOC(=O)Nc1cccc(Br)c1 299868960 SVHBYYYYWSNSKE-JTQLQIEISA-N 340.173 3.117 30 1 EGEF CN(C)/C=C1/C(=O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587104963 XRVRAPGPXIWVSI-WJDWOHSUSA-N 340.382 3.474 30 1 EGEF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C#N)c2[nH]1 586962771 HMQOHUQYKRJJDH-GFCCVEGCSA-N 325.397 3.482 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=CC=CC2=O)N1 587816775 DBKJJGAUWDSYCY-QFYYESIMSA-N 336.204 3.403 30 1 EGEF COc1ccc(-c2cc3ncnc(-n4ncc(C#N)c4N)c3s2)cc1 958064417 WCTIDGCUFVYKFW-UHFFFAOYSA-N 348.391 3.006 30 1 EGEF O=C1Cc2c(Cc3ccc(C(F)(F)F)cc3)cccc2C(=O)N1O 1772589235 ACVZLWTZSVQONQ-UHFFFAOYSA-N 335.281 3.210 30 1 EGEF O=C1CCCC(=O)C1=C(O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13473744 PMHVFNYNPNKNRO-UHFFFAOYSA-N 329.230 3.205 30 1 EGEF in-vivo NC(N)=NC(=O)c1ccc2c(F)cnc(-c3ccccc3Cl)c2c1 168053582 CURBYWXZHSUAHS-UHFFFAOYSA-N 342.761 3.108 30 1 EGEF N#CCCn1nnc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n1 13744440 WMUOYHGYZIVXTH-UHFFFAOYSA-N 339.786 3.486 30 1 EGEF O=C1C=CC(/C=N\N/C(=C(\O)c2ccccc2)c2ccccc2)=CC1=O 100476879 LOYMGNSQXKTCRF-NCCABJSSSA-N 344.370 3.280 30 1 EGEF CC1=CC(=O)/C(=C(\C)NNc2nc(-c3ccccc3)cs2)C(=O)O1 104001549 HCTUPVBGOXUNBA-PTNGSMBKSA-N 341.392 3.030 30 3 EGEF Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCOCC2)c(C)c1 72101424 PXCPTZDODBPFSF-UZYVYHOESA-N 341.411 3.267 30 1 EGEF CCc1nc2c(o1)C(=O)C(Nc1ccccc1)=C(Br)C2=O 45299834 YLZYYZUOXWGQDZ-UHFFFAOYSA-N 347.168 3.335 30 1 EGEF CC(C)(C)c1cc2c(N/N=C\c3cccc(CO)n3)ncnc2s1 40862081 USHMKWDFOXGLHF-ZBKNUEDVSA-N 341.440 3.322 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238753806 QFINJHBXXJQKPB-KXJGVGRLSA-N 346.423 3.010 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(cc1[N+](=O)[O-])CCNC2 587908052 SRKSAHXUMJNTDT-UHFFFAOYSA-N 342.782 3.302 30 1 EGEF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1oc(C)nc1C#N 587867853 CQTVXRLBCNFEAD-UHFFFAOYSA-N 349.272 3.130 30 1 EGEF COC(=O)c1n[nH]c2ccc(C#Cc3cc(Cl)ccc3OC)cc12 587907730 SRKONQASXOIJGB-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF CCCCCCCC(=O)NCCCc1nc2nc(Cl)c[nH]c-2n1 587228353 PFDMYLRPDHSCIY-UHFFFAOYSA-N 337.855 3.367 30 1 EGEF C=C1CC(=O)/C=C(/C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 15119095 RGTPNNMQGBLXOP-GGHWEJLBSA-N 330.424 3.285 30 1 EGEF O=CCNc1c(Cl)c(O)n(-c2ccc(Cl)c(Cl)c2)c1O 169724227 OGQVGWBCYYBHLR-UHFFFAOYSA-N 335.574 3.460 30 1 EGEF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@H]1C=O 100038007 VXGKJYZITFFGRK-GBUWSYLDSA-N 343.379 3.057 30 1 EGEF 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339.576 3.007 30 1 EGEF CN1CCN(c2ccc3cc(C#N)c4nc5ccccc5n4c3c2)CC1 1772649037 MJFFZKWIQJWQGI-UHFFFAOYSA-N 341.418 3.264 30 1 EGEF C/C(=N\OC[C@H](O)CNC(C)(C)C)c1ccc(Cl)c(Cl)c1 169327334 JFSZKCQJAZDSOX-AINDZBIGSA-N 333.259 3.483 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@@H]12 102183248 SLFNZRXROGKMKG-DPCOETHOSA-N 346.423 3.010 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)C(C)=CC)[C@@H](O)[C@@H]12 2356553252 SLFNZRXROGKMKG-OWSLCNJRSA-N 346.423 3.010 30 1 EGEF CCN(CC)CCNC(=O)C1=C(c2ccccc2)c2ccccc2C1=O 26739362 RSXASCWSQQMLRZ-UHFFFAOYSA-N 348.446 3.143 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C(F)F)N1 587720915 OVUQLFUZNMOGHI-UHLUBPPHSA-N 333.151 3.496 30 1 EGEF CN(CCO)c1ccc(-c2nc3c(Cl)cc(C#N)cc3[nH]2)cc1 587192856 GWYRTPQBCAUEAR-UHFFFAOYSA-N 326.787 3.183 30 1 EGEF CC(C)[C@H](CO)NCc1nc(-c2ccc(F)c(C#N)c2)ccc1F 204419540 HGXKDVFPKSQZLH-SFHVURJKSA-N 331.366 3.005 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C\CC/C(C)=C/[C@H](O)C[C@H]2C 17025382 GQTPRLWQZDUWKJ-AQTGVQEPSA-N 334.456 3.299 30 1 EGEF CCCCCC#C/C=C\C#CC[C@@H]1O[C@](C)(OC)[C@@](C)(OC)OC1=O 58603373 RFNPJOVTEWJADY-LNXWOEGRSA-N 348.439 3.187 30 1 EGEF COc1cccc(OC)c1C/N=C(\N)c1cc2cc(F)ccc2[nH]1 28530213 ORNVTLQUTGQFPT-UHFFFAOYSA-N 327.359 3.230 30 1 EGEF C=C[C@]1(C=O)C[C@H](OC(=O)[C@H](C)CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C 2356425104 FOBYLSACEYVQOU-ULBMWCGFSA-N 346.423 3.009 30 1 EGEF C[C@@H]1C2=C[C@H](O)[C@H](C)[C@@]1(C)CC[C@]1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]1C2=O 2356794721 ICBRNEMEWKWIBL-LRBQNSQQSA-N 334.456 3.024 30 1 EGEF C=C(CO)[C@H](O)CC[C@H](C)[C@@H]1CC[C@H](C)c2c(O)cc(C(=O)O)cc21 2356852877 QUFNQUVOPIMKLO-WXRXAMBDSA-N 348.439 3.397 30 1 EGEF CCCCCCCCCOC(=O)c1ccc(OS(N)(=O)=O)cc1 36338392 MIEAOZZHVJFVJY-UHFFFAOYSA-N 343.445 3.176 30 1 EGEF in-vivo C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/C[C@H](OC(=O)CC(C)C)[C@@]1(C)O[C@H]21 238775116 FFCNNRVCNZPRLJ-XCLYTLQZSA-N 348.439 3.330 30 1 EGEF Cc1cc(NC(=O)Nc2nnc(-c3ccncc3)s2)ccc1C#N 96284271 RBIGOPWVSAEIII-UHFFFAOYSA-N 336.380 3.424 30 1 EGEF CCCCCCCCCCOc1nc(N)nc2c1ncn2CC(=O)O 95603274 BISRIUWARHKPCF-UHFFFAOYSA-N 349.435 3.013 30 1 EGEF C/C=C/c1ccccc1[C@H]1[C@@H](C#N)N(C(=O)NC2CCCC2)[C@H]1CO 95798406 XJULPZIPLGIRFF-HODSOVPRSA-N 339.439 3.024 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([N+](=O)[O-])c(CC(=O)O)c1 587901979 CPVJWRGBBANFTH-UHFFFAOYSA-N 345.738 3.284 30 1 EGEF COc1cc2c3c(c1)O[C@@H](c1sc(N)c(C#N)c1Cl)[C@@H](C2)C3=O 587453805 UFOQNHAVPLLCTM-RMLUDKJBSA-N 346.795 3.353 30 1 EGEF O=C(c1ccccc1)c1ccn(-c2ccc(/C=N/O)c([N+](=O)[O-])c2)c1 169311962 QSRCHKWRYFMICX-YBFXNURJSA-N 335.319 3.425 30 1 EGEF CCOc1ccc(-c2nc(C#N)c3nc[nH]c3n2)cc1C(F)(F)F 58498717 VKSGXYBWSOFNOU-UHFFFAOYSA-N 333.273 3.309 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@@H]12 101038815 SLFNZRXROGKMKG-DVDXZMGRSA-N 346.423 3.010 30 1 EGEF C=C1[C@H](OC(=O)C(C)=CC)[C@@H](O)[C@@H](C(C)C)[C@H]2C(=CC)C(=O)C[C@@H]12 2356744196 LEKWOAFHZQWGJG-GBBGEASQSA-N 332.440 3.219 30 1 EGEF CC[C@@H](C)C(=O)NCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O 95593588 SKLGOVHMCAYEFJ-GFCCVEGCSA-N 343.423 3.456 30 1 EGEF CON=CCCC(F)(F)c1ccc([C@@H](C)[S@](C)(=O)=NC#N)cn1 472780969 ZEFPWRSXVTWVRD-BGJPBQGDSA-N 344.387 3.226 30 1 EGEF N#Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587584791 APHDBEYKLIPHDG-FXAWDEMLSA-N 344.326 3.362 30 1 EGEF C=C1C[C@@H](C/C(C)=C/COc2ccc3ccc(=O)oc3c2O)OC1=O 15212352 WWTBMZAWBGEHRW-DPQIITEBSA-N 342.347 3.086 30 1 EGEF N#Cc1ccc(-c2ccc3ncnc(N[C@H]4CCCNC4)c3c2)cc1 167135271 SRZVWXWGGCOYCF-KRWDZBQOSA-N 329.407 3.332 30 1 EGEF O=C1C=CC(/C=N/N/C(=C(\O)c2ccccc2)c2ccccc2)=CC1=O 100476883 LOYMGNSQXKTCRF-PDNCBJBZSA-N 344.370 3.280 30 3 EGEF COc1ccc(-n2c(SCC#N)nc3scc(C)c3c2=O)cc1 28948929 WZWRAHCMVDXPGW-UHFFFAOYSA-N 343.433 3.380 30 1 EGEF Cc1cc(-c2nc(/N=C(\N)NCc3ccccc3)sc2C)c[nH]1 27631053 RIVHJCDLHJVHOM-UHFFFAOYSA-N 325.441 3.491 30 1 EGEF CC1(C)CCC[C@@]2(C)[C@@H]3C[C@@H]([C@]4(C=O)O[C@@H]4CO)O[C@@]3(C)CC[C@H]12 2356623854 MBVODZZHGAGOPM-SAHLWMROSA-N 336.472 3.105 30 1 EGEF CCCCCN(C)C(=N)N/N=C/c1c[nH]c2c(C)cc(OC)cc12 27093880 DUOYUNLRKSXTDR-CIAFOILYSA-N 329.448 3.465 30 1 EGEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)[C@H](OC(C)=O)C(=O)OC 2356795436 MALPJVTVFUHQQW-MVCWPVRBSA-N 336.428 3.021 30 1 EGEF C=C1C[C@@H](OC(=O)c2ccoc2)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(C)=CC[C@@H]12 85856888 YPIBIZJIVAIQHC-IGKNDFSCSA-N 340.375 3.445 30 1 EGEF Cc1[nH]nc2c1[C@H](c1cc(Br)cs1)[C@@H](C#N)C(=N)O2 169691086 RFWGQKMIYPZBQC-XCBNKYQSSA-N 337.202 3.183 30 1 EGEF C[C@H]1C[C@@H](C)C(=O)C=CC=C[C@@H](C)[C@H](C)OC(=O)C=C[C@@H](C)[C@H]1O 2356419546 WDMWTIKQIXSBFK-TXJWRWGXSA-N 334.456 3.465 30 1 EGEF CC(=O)N1CCC(=NNc2ncc(C(F)(F)F)cc2Cl)CC1 4921094 ZJKXPVVTIBERDW-UHFFFAOYSA-N 334.729 3.164 30 3 EGEF CCSc1ccc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cn1 28821772 DEWJBIIWGACPAF-UHFFFAOYSA-N 327.365 3.016 30 1 EGEF COc1cc(C(=O)/C=C/c2ccc(O)cc2)c(O)c(OC)c1OC 653875559 YFQLECWROJYRNO-RMKNXTFCSA-N 330.336 3.020 30 1 EGEF COC(=O)[C@@](C)(O)c1cccc(C#Cc2cc(Cl)ccc2OC)c1 587904068 AGVGAAFOFREDAK-IBGZPJMESA-N 344.794 3.129 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(C(F)(F)F)N1 587706984 RQCGODQAORUICB-KBUNVGBDSA-N 340.114 3.079 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CNCCN2)s1 587920711 MERSFEIVOGQBRE-OAHLLOKOSA-N 332.856 3.044 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)n(C)c2)N1 587754015 KGSSNWYSBFNNJB-FVMDXXJSSA-N 348.219 3.422 30 1 EGEF COc1ccc(Cl)cc1C#CC1=CC[C@@H](C(=O)N(C)OC)CC1 587912084 FWFLYHYFEJXCRV-CQSZACIVSA-N 333.815 3.446 30 1 EGEF C=CC[C@@]1(CNC(=O)OCC)c2ccc(F)cc2C[C@@H]2CCCN21 963095016 BYLGOJQBPHSTDW-QFBILLFUSA-N 332.419 3.364 30 1 EGEF CCCNC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1CO 1772623681 PVKWZBWZIJMNNU-AQNXPRMDSA-N 349.434 3.125 30 1 EGEF COCOc1cc(OC)ccc1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 1857622568 FWWOBXXUALDLAJ-UHFFFAOYSA-N 343.335 3.482 30 1 EGEF C=C(CC[C@H](C=C[C@@](C)(O)CC(=O)OC)C(C)C)[C@H]1CCC(=O)O1 2356710479 FXGAQFNYCJXRIU-GPMSIDNRSA-N 338.444 3.171 30 1 EGEF COC1=Cc2ccnc3c(N)c4cc(OC)c(OC)cc4c(c23)C1=O 14636700 LSNDSOUNIOSAOZ-UHFFFAOYSA-N 336.347 3.171 30 1 EGEF biogenic O=C(NO)c1cnc(NC2(c3ccc(F)cc3)CCCCC2)nc1 146077530 HQGGEKOXPKIXOH-UHFFFAOYSA-N 330.363 3.006 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C#N)c1nc3ccccc3[nH]1)O2 587397084 RUOJDHHDXRFERD-ZUOKHONESA-N 346.390 3.485 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(C(F)(F)F)N1 587703957 HZTACMHEOQFEMS-UPONEAKYSA-N 340.114 3.079 30 1 EGEF Cc1c(F)ccc2c1[C@]1(NCC2)C(=O)C(OC(C)C)=C1OC(C)C 962092295 MPMDBTAPVFQEEJ-IBGZPJMESA-N 333.403 3.119 30 1 EGEF CC(C)C#C[C@]1(C(C)C)NS(=O)(=O)Nc2ccc(Cl)cc21 5962457 UINCOYXYKVUHAV-OAHLLOKOSA-N 326.849 3.111 30 1 EGEF C(=N\N1CCN(Cc2cccc3ccccc23)CC1)\c1cccnc1 13111278 NYLAUQJTBURUOI-KQWNVCNZSA-N 330.435 3.387 30 1 EGEF Clc1nc2c(C#Cc3ccccc3)ncnc2n1C1CCOCC1 27995642 JPYNNHMVXFSQGR-UHFFFAOYSA-N 338.798 3.231 30 1 EGEF C=C(C)[C@@H]1C[C@H](OC(=O)C(C)=CC)[C@]2(C1)C(C)=CC(=O)[C@@H](O)[C@@H]2C 2356607750 PRZHJEFHHOMZQJ-BOHLSTHVSA-N 332.440 3.363 30 1 EGEF C[C@H](O)CC#C[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21 299819073 BEIGSKZKRNOYJY-ISVAXAHUSA-N 333.693 3.434 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(C(F)(F)F)N1 587706985 RQCGODQAORUICB-KGFZYKRKSA-N 340.114 3.079 30 1 EGEF Nc1ccc(C#CCCN2CCC(O)(Cc3ccccc3)CC2)cc1 13798586 ISVKCDBNGIPSLZ-UHFFFAOYSA-N 334.463 3.080 30 1 EGEF CN(C)/C(=N/C(=N/c1ccccc1)N1CCOCC1)c1ccccc1 100794378 HSYLJQJEKUVSPG-QCKHJMTRSA-N 336.439 3.015 30 1 EGEF C[C@@H]1O[C@@](C#CC2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O 29205477 BODHTLJYAHHWBX-VXJOIVPMSA-N 345.267 3.493 30 1 EGEF Cc1cc2ncn(N/C=C3\C=C(Br)C=CC3=O)c2cc1C 104029101 HBTZHKRZTGZZGJ-XYOKQWHBSA-N 344.212 3.498 30 3 EGEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@@H](OC(=O)CC(C)C)[C@@H]12 2356621380 ZEPVGWURVYMKCE-ZHALLVOQSA-N 348.439 3.091 30 1 EGEF CCOC(=O)c1cnc2ccc([C@@H](C)O)cc2c1SCCC#N 84726019 CCZXQYLWOCXJRD-LLVKDONJSA-N 330.409 3.471 30 1 EGEF C=C[C@@](C)(O)C/C=C/[C@@]1(C)CC[C@@H]([C@](C)(O)CC(=O)C=C(C)C)O1 95564049 HYSXHSFJFJWWOB-IEQRYKBPSA-N 336.472 3.484 30 1 EGEF O=C1NC(=O)/C(=C/c2ccc(/C=C/C(=O)c3cccnc3)cc2)S1 95574192 FCUIXCZLXTZLBE-SPFIUAHJSA-N 336.372 3.302 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)n(C)c2)N1 587754018 KGSSNWYSBFNNJB-JDNHERCYSA-N 348.219 3.422 30 1 EGEF O=C1C=CN(Cc2ccncc2)C(=O)[C@@H]1Cc1c(F)cccc1Cl 957634019 GGUIHZYGUSAMSA-CQSZACIVSA-N 344.773 3.158 30 1 EGEF COc1ccc([C@]2(C#N)NCCc3cc4cccc(OC)c4nc32)cc1 963034082 LKWHJKFSZKKQND-NRFANRHFSA-N 345.402 3.165 30 1 EGEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)C1=C[C@@H](O)OC1=O 15061285 RWRUMHLQHKUMDS-YPLULLRNSA-N 334.456 3.338 30 1 EGEF COC1=CC(=O)C(=O)c2c1coc2-c1cc(C)cc(OC)c1OC 2356323017 FSDOGMJIOTZUGJ-UHFFFAOYSA-N 328.320 3.025 30 1 EGEF Cc1cc(C)n(/N=C/c2cc3ccccc3nc2Cl)c(=O)c1C#N 60686179 IKFYKGBQCNWODY-UFFVCSGVSA-N 336.782 3.421 30 1 EGEF N#CCCOC[C@@H](Cn1cncn1)c1ccc(Cl)cc1Cl 39027477 KPPBDKJNTNUFHY-LLVKDONJSA-N 325.199 3.299 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@@H]3O[C@]3(C)[C@@H](OC(=O)[C@H](C)CC)C[C@@H]12 238761632 YGMRPCQPDPKSBZ-AULCCDHLSA-N 348.439 3.330 30 1 EGEF CCN(Cc1cc(=O)n2c(C#N)c(C)sc2n1)c1ccc(F)cc1 653844222 CCBWSWGULULTNH-UHFFFAOYSA-N 342.399 3.102 30 1 EGEF C#CCNC(=O)Cc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587906290 YGVIDCLVIMLCSR-UHFFFAOYSA-N 337.806 3.040 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c[nH]nc2cc1C(=O)O 587907677 RQBCYAOETCETMH-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF Cc1cccc2oc(=O)c3c(c12)OC(C)(C)[C@@H]1CC[C@]2(C)O[C@@H]2[C@@]31O 169646478 ZSDCIXREXUHWAF-BRUFTZQQSA-N 342.391 3.028 30 1 EGEF COc1ccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)cc1 200826431 SQIOGHFPTKXEHI-UHFFFAOYSA-N 334.331 3.428 30 1 EGEF CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(O)c1 103894785 GDEYDEHCBDATSA-PJCCXHTNSA-N 343.379 3.382 30 1 EGEF O=C(NO)c1cc2cc(CNCCc3ccccc3)ccc2s1 28900071 FNFUHXMZNGORQQ-UHFFFAOYSA-N 326.421 3.353 30 1 EGEF C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NO 103176988 YNKQCIFRPIJGEK-MRVPVSSYSA-N 343.166 3.453 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(C)[C@H](O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 2356565291 VEHYPXYXFNEPJB-UWLPGLTFSA-N 348.439 3.089 30 1 EGEF C=C[C@](C)(O)CCC=C(C)C[C@@H](C=C(C)COC(C)=O)OC(C)=O 2356606319 LKKSWFJJHYAMNI-OALUTQOASA-N 338.444 3.481 30 1 EGEF C[C@]12CCC(=O)[C@]3(C)C(=O)O[C@@H](C(=O)C=C1CCc1ccoc1)[C@@]23C 2356679925 MPGNOYIYHJDRQQ-FFGOWVMKSA-N 342.391 3.029 30 1 EGEF Cc1ccnc(O)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881377 KXSQKARZVYKMSG-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(OC)cc(CO)cc1OC 587900725 QDGNQBDPFZRFMZ-UHFFFAOYSA-N 332.783 3.258 30 1 EGEF COc1cc2c3c(c1)O[C@](C)(c1ccc(CC#N)s1)[C@@H](C2)C3=O 587449032 DBENODRTRAAXNE-UGSOOPFHSA-N 325.389 3.486 30 1 EGEF N#Cc1c([C@H]2CCOC2)[nH]c2c1c(Br)cc1n[nH]cc12 587623303 PNQCQTOYFNUCKU-ZETCQYMHSA-N 331.173 3.182 30 1 EGEF CC1=C[C@@]2(C=CC1=O)NC1(CC1)Cc1ccc(Br)cc12 961614433 LLRARQIPCLFISB-QGZVFWFLSA-N 330.225 3.408 30 1 EGEF COc1cc2oc(C)cc(=O)c2c(O)c1CCC1=CC(=O)C[C@@H](C)O1 13385303 FFCFVSMYTTVAHJ-SNVBAGLBSA-N 344.363 3.010 30 1 EGEF biogenic CCCCCCCCCCCCCCNC[C@@H]1OC[C@H](N)[C@H]1O 1857754854 NGURTNHXYNCPBM-GBESFXJTSA-N 328.541 3.364 30 1 EGEF C=C1CC[C@H]2CCC3=C(C2(C)C)[C@](O)(CC(C)=C[C@@H](O)C1)OC3=O 2356453077 NAXRGDYBDAKNAZ-AVYPCKFXSA-N 332.440 3.402 30 1 EGEF C=C1CO[C@H]2c3c(cc(O)c4c(=O)c5cccc(OC)c5oc34)O[C@@H]12 28477406 IMMOVEYTBYSSOD-LPHOPBHVSA-N 338.315 3.049 30 1 EGEF C[C@H]1O[C@@](C#CC2CC2)(C(F)(F)F)c2c(ccc(F)c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biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)ccn2)N1 587772083 NHYUJRQACNWYFQ-JDNHERCYSA-N 346.203 3.478 30 1 EGEF COCCn1cc(-c2ccc3c(c2)CC/C3=N/O)c(-c2ccncc2)n1 100411212 VUXHDBFZTVRSRN-NMWGTECJSA-N 348.406 3.383 30 1 EGEF C[C@H](O)[C@H]1C[C@@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118936998 OVQSVMZESAVYPN-IXRZDXFDSA-N 332.484 3.486 30 1 EGEF endogenous,in-man C=CCNC(=O)[C@H](C(C)C)N(C(=O)c1cccnc1)C1CCCCC1 28953014 UXIFFAKODRELKA-SFHVURJKSA-N 343.471 3.183 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@H]12 2356550948 OMDUJIAGTIZPFC-BDXSIMOUSA-N 346.423 3.010 30 1 EGEF C=C1[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC=C1CCOC1=O 2356566534 LAIHLMZBILKPIA-JTWUUNPKSA-N 332.440 3.198 30 1 EGEF C=C(C)[C@@H]1C[C@H](OC(=O)C(C)=CC)[C@]2(C1)C(C)=CC(=O)[C@@H](O)[C@H]2C 2356607751 PRZHJEFHHOMZQJ-JMLXPOELSA-N 332.440 3.363 30 1 EGEF Cc1cccc(Oc2ccc(/C(=N/O)NC[C@@H]3CCCO3)cn2)c1 72186173 KAFKPVUXVCRUFM-INIZCTEOSA-N 327.384 3.087 30 1 EGEF C/C=C/c1ccc([C@@H]2[C@H](C#N)N(C(=O)NC3CCCC3)[C@H]2CO)cc1 95897822 WVXGHKZQHTUAKX-IPWGWUGFSA-N 339.439 3.024 30 1 EGEF N#Cc1nc(Cl)cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c12 587166916 JXKCUKOJVRKMPL-AATRIKPKSA-N 341.733 3.274 30 1 EGEF CC1=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)C(=O)CC1 587891119 OKLIUGWLLBLIBB-UHFFFAOYSA-N 336.218 3.335 30 1 EGEF COc1ccc(Cl)cc1C#CC1=CC(=O)O/C1=C/Br 587912807 YROABKYTIBNMGQ-MDWZMJQESA-N 339.572 3.420 30 1 EGEF CC(C)CCOc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1C#N 1857744829 KZSJIEGSBDRDIR-UHFFFAOYSA-N 343.408 3.427 30 1 EGEF COc1cccc2c1C(=O)C1=C(NCCc3c1[nH]c1ccccc31)C2=O 45317236 MYMDLDZJLNSCNW-UHFFFAOYSA-N 344.370 3.113 30 1 EGEF C=CCc1c(O)n(-c2ccccc2OC)c(SCCC)nc1=O 1911576928 GFVAVFMVDTVJNT-UHFFFAOYSA-N 332.425 3.177 30 1 EGEF C=C(C)[C@H]1CC[C@@]23CC[C@@H](C[C@H]2[C@]1(C)CCC(=O)O)[C@](O)(CO)C3 238764583 JGJYHLOAFWCFID-ICHMTLFLSA-N 336.472 3.373 30 1 EGEF COc1ccc(Cl)cc1C#CCc1cc(-c2cnn(C)c2)no1 587900635 UIKJEASIGBJVGI-UHFFFAOYSA-N 327.771 3.331 30 1 EGEF N#Cc1nc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2nc1C#N 586898957 UARUIQOCXSNUCB-UHFFFAOYSA-N 338.330 3.136 30 1 EGEF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)CC1(C#N)CCOCC1 963637563 SPVATEHTQKSJRB-IFXJQAMLSA-N 344.455 3.164 30 1 EGEF CC(=O)O[C@@H]1C/C(C)=C/CC[C@@]2(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1C(C)C 15160721 DRGFRBPYLMWXJS-WKMZXLPJSA-N 338.444 3.410 30 1 EGEF C/C1=C/C=C(/[C@@](C)(O)CO)C[C@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1 169361133 NWBHMZVDIALTDH-PJSACNPJSA-N 336.472 3.031 30 1 EGEF C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)N=c1cc[nH]cc1 1857545310 NROPTXRLNSZMDK-ZDUSSCGKSA-N 337.814 3.393 30 1 EGEF Cn1cccc1/C=C/C(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857571084 XSZRUVPTTIPSQL-CMDGGOBGSA-N 331.327 3.290 30 1 EGEF CC(C)Oc1c(/C(O)=N/c2nn[nH]n2)sc2ccc(Cl)cc12 28096927 KMGWQPPVACGWAY-UHFFFAOYSA-N 337.792 3.491 30 1 EGEF Cc1ccc(NC(=O)C[n+]2cccc(C(=O)Nc3ccccc3)c2)cc1 103175516 PGYWZRSRYCWPOC-UHFFFAOYSA-O 346.410 3.174 30 1 EGEF COc1cc(/C=C/C(=O)c2c(O)cc(OC)cc2OC)cc(OC)c1 29053486 AQOGIPMQKQYDHW-AATRIKPKSA-N 344.363 3.323 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(CO)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 2356542276 WLTUYPUQSWVETP-NBMRYCAZSA-N 348.439 3.091 30 1 EGEF N#Cc1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2cc1C#N 587166776 IWFXNLOSFFACNX-AATRIKPKSA-N 331.310 3.097 30 1 EGEF COc1c(O)c(OC)c(OC)c(C(=O)/C=C/c2ccccc2)c1O 14640457 VVRYLGPIHBOLAX-MDZDMXLPSA-N 330.336 3.020 30 1 EGEF CC(C)N1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O 28649634 YCJWIMKEDKWTGY-UHFFFAOYSA-N 343.354 3.255 30 1 EGEF CCCCS(=O)(=O)c1cccc(Nc2snc(O)c2C#N)c1 28707472 UDNLNBLVHBUCFY-UHFFFAOYSA-N 337.426 3.038 30 1 EGEF C=C1[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC=C1CCOC1=O 2356566532 LAIHLMZBILKPIA-COCVIAQXSA-N 332.440 3.198 30 1 EGEF C[C@@]12CC[C@H]3C[C@@]1(C#N)N(C(=O)c1cccc([N+](=O)[O-])c1)C[C@]32C 139769600 VVPWYMMLGFSQBL-NBMRYCAZSA-N 325.368 3.139 30 1 EGEF C=CCOc1ccc([C@@H]2NC(=S)N=C(C)/C2=C(\O)OC)cc1OC 621474208 QMTHZZRVKPJZBD-RIBQPWQFSA-N 348.424 3.066 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)nc1 587896419 SVVVLTSDKDJVSS-UHFFFAOYSA-N 337.181 3.238 30 1 EGEF COc1ccc(C#Cc2cc(Cl)ccc2OC)c(CC(=O)O)c1 587900705 PVDFKGHVCWBXOF-UHFFFAOYSA-N 330.767 3.384 30 1 EGEF CC1=CC(=O)[C@H]([C@@]2(C)NCCc3cccc(-c4ccccc4)c32)C(=O)O1 962669032 ZSKDJWBYARDNFZ-UNMCSNQZSA-N 347.414 3.360 30 1 EGEF N#Cc1cc(Cl)ccc1[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962900042 PFGFUASQYJLRJO-HOCLYGCPSA-N 330.746 3.039 30 1 EGEF O=C(Nc1ccc(Cl)cc1)[C@]12C[C@@H]1/C(=N\O)c1ccccc1O2 101382051 ZRURMLHGCOJTNX-ISTDQTFZSA-N 328.755 3.308 30 1 EGEF in-vivo O=C(/C=C/c1ccc2ccccc2c1)NCCCCCC(=O)NO 34042083 DJXUCMNCFXZVAW-ZRDIBKRKSA-N 326.396 3.035 30 1 EGEF O=C1C=CC(=C2N=CC=C(c3ccc(Br)cc3)N2)C=C1 37868990 JDCIOZYVGGXQNX-UHFFFAOYSA-N 327.181 3.371 30 3 EGEF CCCNC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)cn1 587908493 YDRMMGDMLQMFGM-UHFFFAOYSA-N 328.799 3.283 30 1 EGEF CCc1nnc(S)n1/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 6018836 DUHDDLMPVCAGBA-SXGWCWSVSA-N 343.368 3.180 30 1 EGEF C[C@@H]1C(=O)C=C2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](CO)(CCO)O2 205655846 HDJHUJJVFNEQOO-QRKUABHPSA-N 336.472 3.011 30 1 EGEF CCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 1818402 YPXYMOSBZGQIMQ-FRQCXROJSA-N 326.501 3.247 30 1 EGEF CCCCCC#CCC#CCC#CCC#CCCCC(=O)NCCO 3782154 WIKCFYFHZDOIDT-UHFFFAOYSA-N 339.479 3.029 30 1 EGEF O=C1C=C2C(=C3C(=O)CCC(O)=C13)c1ccc(O)c3c(O)ccc2c13 2356343669 UBKDTEBAKVCQRH-UHFFFAOYSA-N 332.311 3.159 30 1 EGEF CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCC2)CN2CCC1CC2 28564071 VDLFTAVQHMFQHW-YADHBBJMSA-N 339.479 3.179 30 1 EGEF C[C@H]1CC[C@H](/C(S)=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21 29243295 QWWYIFWBKVBVPN-JQWIXIFHSA-N 343.408 3.040 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=CCC[C@@]1(C)O[C@@H]21 2356545131 DWNHGPRUSBRDRF-QOSLBHJFSA-N 346.423 3.250 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CCC(C)=C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356773617 DRIVTODYQLWPNZ-BRSBDYLESA-N 346.423 3.010 30 1 EGEF CCc1c(C)[nH]c2c1/C(=N/OC(=O)NCCc1ccccn1)CCC2 38149926 QPUSOLFLPJACNS-HAVVHWLPSA-N 340.427 3.290 30 1 EGEF CN(C)c1ccc(C#Cc2ccc3cc(CCCO)oc(=O)c3c2)cc1 36388906 LLUAAXCTJQDLLD-UHFFFAOYSA-N 347.414 3.184 30 3 EGEF CC[C@H](C)C(=O)NCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O 95593589 SKLGOVHMCAYEFJ-LBPRGKRZSA-N 343.423 3.456 30 1 EGEF Cc1cc(C#Cc2nc3c(F)cnc(Cl)c3[nH]2)ccc1[N+](=O)[O-] 587262344 PUAFCDCQMNJZHB-UHFFFAOYSA-N 330.706 3.367 30 1 EGEF N=c1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c[nH]1 586911219 WRFGDYTXNUSMKM-IBGZPJMESA-N 342.443 3.020 30 1 EGEF N#C[C@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccncc1 169689702 WWTUZFBBLUCEOJ-ZIAGYGMSSA-N 333.326 3.252 30 1 EGEF C=C(C)[C@H](O)CCC(=CCOc1cc(=O)oc2cccc(C)c12)CO 2356557328 KGIMVEYISNCCTO-MRXNPFEDSA-N 344.407 3.116 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)[C@@H](C)CC)C=C(C)CCC=C(C)[C@H]2O 2356654266 YTTWVUJVOFNFPP-IXJQEDDXSA-N 348.439 3.089 30 1 EGEF CC[C@H](C)CO[C@@H]1[C@@H]2[C@H](C[C@H](C)[C@@H]3C=CC(=O)[C@]31C)OC(=O)[C@@H]2C 2356726284 JOPZTFJFJCQWRK-YQERXXIGSA-N 334.456 3.397 30 1 EGEF C[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1 40846290 ARIVJJXBYQCJFK-SFHVURJKSA-N 330.405 3.406 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(SCC(N)=O)cc1 587919124 GOOFFZYQAFSQGO-UHFFFAOYSA-N 331.824 3.326 30 1 EGEF CC(C)C1=C2CC[C@](C)(OC(=O)[C@H]3OC3(C)C)C(=O)C[C@@]2(C)CC1=O 13484578 JQEQWXQRCHWTBV-AHRSYUTCSA-N 348.439 3.150 30 1 EGEF biogenic CCc1cc(-c2ccc(F)cc2)n(Cc2ccc(C(=O)NO)cc2)n1 1857642304 JJVBDOLSGRETGE-UHFFFAOYSA-N 339.370 3.419 30 1 EGEF C=C1Nc2ccccc2[C@]1(O)CCN1CCC[C@@]2(CC)CCO[C@H]12 2356513070 QAXDEEATFCIIMQ-UFYCRDLUSA-N 328.456 3.442 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C[C@H](O)C(C)(C)[C@@H]2[C@H]3C(C)=CC(=O)[C@H]2[C@@]31C 2356519099 NHVUXTQHFHSPJY-HMDCPUHISA-N 332.440 3.053 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)CC(C)=CCCC(C)=CCC[C@@]1(C)O[C@H]21 2356588583 ARVXFCIVVWNIRM-KWXDATOUSA-N 332.440 3.459 30 1 EGEF NC(=S)N/N=C1/CCC[C@H](c2ccc(Br)cc2)C1 40567051 QKWJTFCTYHFCFT-HPCMQXCGSA-N 326.263 3.296 30 1 EGEF C[C@H](O)[C@@H]1[C@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255261384 QQBDYFZYYLDLJW-HZDCHWSASA-N 332.484 3.486 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSC[C@H]2C#N)N1 587855103 FTIRQJWGTNCZCG-PWZJLYFZSA-N 341.249 3.204 30 1 EGEF C[C@@H](C(=O)O)n1c(/C=C/c2ccc(C#N)cc2)nc2ccccc2c1=O 1857534530 XFMPIWMEQHINFI-NHAQELONSA-N 345.358 3.084 30 1 EGEF O=C1CCCC2=C1[C@@H](c1cc3ccccc3[nH]c1=S)NC(=S)N2 103283178 WFGITHNJTKVIAD-OAHLLOKOSA-N 341.461 3.423 30 1 EGEF C=C1CC[C@H](O)C(C)(C)[C@H]1CCC[C@@]1(O)Oc2ccc(O)cc2C1=O 2356872470 YZAVAPOFLJHTST-RIFZZMRRSA-N 346.423 3.180 30 1 EGEF Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H]3O[C@]31[C@H]2O 238786504 ICAKWODMRWJSPW-FWAYHXGXSA-N 334.412 3.449 30 1 EGEF C/C=C(\C)C(=O)Oc1cc(C)ccc1[C@]1(COC(=O)C(C)C)CO1 238774560 VCVMMEZVZPFGOV-CXPVQLEGSA-N 332.396 3.291 30 1 EGEF COc1ccc([C@H]2CCc3cc4c(cc3C2=NO)OCO4)cc1OC 263591175 JQEHLDMXRJMVNO-CYBMUJFWSA-N 341.363 3.341 30 3 EGEF CC(=N)[C@@H](C#N)C(=O)CSc1nnc(Nc2ccccc2C)s1 17511322 XAJQIYVCNHLSPW-LLVKDONJSA-N 345.453 3.431 30 1 EGEF CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\[C@H]1CCc2ccccc2C1 100756584 FZBNCKSYTXWVCT-AVAMUEOTSA-N 337.419 3.147 30 1 EGEF CC(C)[C@@H]1C(=O)C=C2[C@H](CC[C@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)[C@H]1O 2356440643 KEBKBAPPTYLIEM-ADTMWODISA-N 334.456 3.436 30 1 EGEF C[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)c2)cn1)C(F)(F)F 96933562 FIUFBHHTXPSSLT-LLVKDONJSA-N 336.288 3.301 30 1 EGEF Cn1cc(/C=C/C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc21 299830933 YXZTVKMYVWFNDL-FMIVXFBMSA-N 339.416 3.478 30 1 EGEF Cc1cc(C#Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)ccc1[N+](=O)[O-] 587262804 YBCDENSFSXQKRD-UHFFFAOYSA-N 339.282 3.017 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)ccn2)N1 587772908 PQADSLLUOUTJDE-JDNHERCYSA-N 346.203 3.478 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc([N+](=O)[O-])c(C#N)c1)O2 587389820 NJYBPVAVMFLYGW-SFHVURJKSA-N 337.335 3.238 30 1 EGEF C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@@H](O)[C@@H](O)[C@@]3(C)CC[C@@H]21 169356418 GVKVGOGUDSJCLX-XAYQJVIWSA-N 328.452 3.439 30 1 EGEF C=CC[C@@]12C[C@@]3(OCOC3=CC1=O)[C@H](C)[C@@H]2c1ccc2c(c1)OCO2 2356335771 CPRHYOIFRQCXFD-AJSUPXSGSA-N 340.375 3.311 30 1 EGEF CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C 2356446737 QAGRSHUMAXNJMZ-NLNBCDFGSA-N 330.468 3.408 30 1 EGEF C=CC(C)(C)c1[nH]c2ccccc2c1C=C1NC(=O)[C@@H]2CCCN2C1=O 2356452407 OLIPWSSLWWMAAT-KRWDZBQOSA-N 349.434 3.093 30 1 EGEF N#Cc1ccc(CN2CCC[C@@]3(Cc4ccccc4CNC3=O)C2)cc1 71993555 BNCFSTLZDDDOKL-JOCHJYFZSA-N 345.446 3.013 30 1 EGEF Cc1cccc2c3c(n(Cc4ccc(C(=O)NO)cc4)c12)CCN(C)C3 84635417 OMTXCPOBTKYTBJ-UHFFFAOYSA-N 349.434 3.105 30 1 EGEF O=C1N/C(=N\c2nccs2)S/C1=C\c1ccc([N+](=O)[O-])s1 98084965 LNQGQYZKMOKKDG-ALCCZGGFSA-N 338.395 3.004 30 1 EGEF CCCNC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccccc2)[C@@H]1CO 95668225 XWTXVLPDFLGDHX-HSALFYBXSA-N 349.434 3.125 30 1 EGEF CC(=O)[C@@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@H]2C1 299804475 CWLAYYXVQIWWAE-LPWJVIDDSA-N 342.391 3.134 30 1 EGEF N#Cc1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587084903 JZDRBCSSKSFRAP-UHFFFAOYSA-N 338.802 3.262 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(C(=O)OC(C)C)c(N)c1 587908821 DBRBPIYDCCUTQS-UHFFFAOYSA-N 344.798 3.291 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2nc(O)nc(O)c2c1 587909147 QYICALNOZLWQDG-UHFFFAOYSA-N 326.739 3.103 30 1 EGEF CCCC[C@H](CC(=O)NO)[S@](=O)c1ccc(Br)cc1 13808965 SPLASNJPKRQCNT-BLVKFPJESA-N 348.262 3.011 30 1 EGEF C#CCCCn1c2ccccc2c2ccc3c(c21)C(=O)[C@H]1O[C@@H]1C3=O 1857555050 OJFIPWRLQKIABV-NHCUHLMSSA-N 329.355 3.354 30 1 EGEF CN(C)/C(CC(C)(C)C)=N/C(=N/c1ccccc1)N1CCOCC1 100792750 CGPJSFXEPXWQAU-QGVRROHPSA-N 330.476 3.403 30 1 EGEF CC(C)CN(Cc1ccccc1)Cc1ccc(/C=C/C(=O)NO)o1 96915111 TXXJOSOSWRZWOL-ZHACJKMWSA-N 328.412 3.456 30 1 EGEF C=C[C@]1(C)C=C2[C@H](O)C[C@@H]3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@H]2C[C@H]1O 238744552 PEHMNBMSMKSSAA-DXWVLXIHSA-N 348.483 3.236 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CCN)c(C)c1 587902046 GUZQPALOCMGWTN-UHFFFAOYSA-N 342.826 3.344 30 1 EGEF N#Cc1c(Cc2c(O)noc2C2CCNCC2)ccc2ccccc12 13607821 OJUDWJQPHXOEPH-UHFFFAOYSA-N 333.391 3.463 30 1 EGEF O=C1C=CN(S(=O)(=O)c2ccc(F)cc2)[C@@H](c2cccs2)C1 206062421 QSVSGJQWQNBEDH-CQSZACIVSA-N 337.397 3.106 30 3 EGEF CN[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12CO 153034557 GNHGBSZVNIWLJP-LJZXKFISSA-N 343.511 3.491 30 1 EGEF CC(C)C1=CC(=O)[C@]2(CC1)OC(=O)C[C@@H]1C(C)(C)[C@@H](O)CC[C@@]12C 2356336404 KFEZPUHNOOFISQ-QBTDHISASA-N 334.456 3.421 30 1 EGEF COC(=O)C1=C[C@@H]2[C@H](C[C@]3(C)O[C@@H]3CC1)[C@@H]1[C@@](C)(O)CC[C@]21C(C)C 2356395083 KOSKWRWCBDIGCT-XJKGWNRQSA-N 348.483 3.477 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3C=CC(=O)[C@]3(C)[C@H](OC[C@H](C)CC)[C@@H]12 2356430111 GOJTXXYQSISDGW-SMAZZIRDSA-N 332.440 3.317 30 1 EGEF CC(C)C1=C[C@H](O)[C@@](C)(O)CC(=O)C[C@H](C)CC[C@@H]2O[C@]2(C)CC1 2356501006 KMGLSHJNTMTELI-GIOXJEDJSA-N 338.488 3.398 30 1 EGEF C=C1CC(=O)C=C(C)CC[C@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@H]12 2356509500 RGTPNNMQGBLXOP-FUHWJXTLSA-N 330.424 3.285 30 1 EGEF C[n+]1c(-c2ccc(/C=N/Nc3nccs3)cc2)cn2ccsc21 26827367 ZPDSJLITRUCHOB-VCHYOVAHSA-N 340.457 3.395 30 1 EGEF CC(C)[C@@H]1CC(=O)C2=CC3=C(CO)C(=O)C(O)=C[C@@]3(C)CC[C@]21C 2356580645 ZMQGQTKRCUHYLP-SVIJTADQSA-N 330.424 3.278 30 1 EGEF C=C[C@]1(C)C[C@]2(OC[C@]3(C)O[C@@H]32)O[C@@H]2c3c(C)cccc3OC(=O)[C@@H]21 2356763192 AHICRLHMYLDOJO-ZPNQOMQUSA-N 342.391 3.068 30 1 EGEF COc1ccc(O)c(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)c1 139973583 HSTGIZZUPNHZTE-KBXRYBNXSA-N 338.359 3.361 30 1 EGEF N#Cc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 141675818 AQRSRWQZGJYGAF-XLIONFOSSA-N 342.402 3.379 30 1 EGEF CN1CC[C@H](O/N=C/c2ccccc2OCc2cccc(F)c2)C1 95591347 XMEJMHNRVBTEHT-IUOVYFEOSA-N 328.387 3.459 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)CC(C)=CCCC(C)=C[C@@H](O)C[C@@H]2C 254010611 GQTPRLWQZDUWKJ-IJCBKZNRSA-N 334.456 3.299 30 3 EGEF C=C[C@H]1C[N+]2(C)CCc3c([nH]c4ccc(OC)cc34)[C@@H]2C[C@@H]1CCO 6068326 SJRJZLBRNAWFQN-IWGDWUIWSA-N 341.475 3.425 30 1 EGEF COc1cc(OC)c2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 53243052 ZPRNRCIAFJFTQJ-CHHVJCJISA-N 327.292 3.228 30 1 EGEF COC(=O)[C@H]1CC[C@H]2[C@H]3CNC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 28758410 ZJOMBWSBLZDZAK-XNCJAFBWSA-N 331.456 3.074 30 1 EGEF CC(C)C1=CC2=CC(=O)[C@@H]3C(C)(C)C[C@@H](O)C[C@@]3(C)C2=C(O)C1=O 238734620 FIESVRCENWHNFP-LIUKBUMOSA-N 330.424 3.276 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C=O)ccc1OCC(=O)O 587899678 FDSWHZIQGQEGSH-UHFFFAOYSA-N 344.750 3.024 30 1 EGEF COc1cc([S@](=O)c2cccc(N)c2C#N)cc(C(F)(F)F)c1 5853310 NLDNQXYXLUCGOU-HSZRJFAPSA-N 340.326 3.335 30 1 EGEF C=C(C)[C@H]1C[C@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@@H](OC(=O)C=C(C)C)[C@H]1O 17109005 JGLTUIDSFQWPBH-YAGVAZRSSA-N 336.472 3.235 30 1 EGEF CN1CCc2c(sc(N/C=C3\C=C(Cl)C=CC3=O)c2C#N)C1 104025812 YYAINMGWBLYGGU-CSKARUKUSA-N 331.828 3.165 30 3 EGEF CN(C)C#Cc1cc(CO)cc(Br)c1-c1ccc(O)cc1 29462426 GYYMNNZJPBEABV-UHFFFAOYSA-N 346.224 3.185 30 1 EGEF C=C(C)[C@H](O)CC[C@H](C)CCC[C@H](C)CCC[C@@](C)(O)[C@H](O)CO 2356675851 IJARVPWBFHJSRM-OMQSBVIBSA-N 344.536 3.421 30 1 EGEF COc1ccc([C@H]2CC(=O)C(I)=CO2)cc1 84669701 GCUUMESROSBGHR-GFCCVEGCSA-N 330.121 3.002 30 1 EGEF N#Cc1c(-c2cccc(O)c2)cc(-c2nc3ccccc3[nH]2)nc1N 96933521 VZUMYKZTXVTCER-UHFFFAOYSA-N 327.347 3.451 30 1 EGEF COc1ccc2c(=NN=Cc3cccc([N+](=O)[O-])c3)cc(C)[nH]c2c1 299817949 UFGFYPIXSUQSKR-UHFFFAOYSA-N 336.351 3.328 30 1 EGEF COC(=O)c1cc2c(C#Cc3cc(Cl)ccc3OC)nccc2[nH]1 587913279 MULZJDLLYJSZOC-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF CN1c2ccccc2C(O)=C(/C=N/c2ccc(F)cc2)S1(=O)=O 101870018 WZZYSOMSPQEJMV-VCHYOVAHSA-N 332.356 3.234 30 1 EGEF CC=CC=CC(O)=C1C(=O)[C@@]2(C)C(=O)[C@](C)(O)[C@H]1C[C@H]2OCCCC 2356602985 SSIULBZZANASKU-WJFKRZNGSA-N 348.439 3.045 30 1 EGEF COc1ccc(C=C2Oc3cc(O)c(C)c(OC)c3C2=O)cc1O 2356626031 IEOVAYFLORPJRQ-UHFFFAOYSA-N 328.320 3.040 30 1 EGEF CC=C(C)[C@H]1Oc2ncc(-c3ccc(O)cc3)c(O)c2[C@@]1(C)C=O 2356782426 FCWZRGQNYIKFEE-IEBWSBKVSA-N 325.364 3.344 30 1 EGEF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@@H]1C/C(=N/O)C2=O 73258911 KINBHFUHBUNAOF-AVSHRARQSA-N 343.427 3.351 30 1 EGEF C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)/C(C)=C/C)[C@@H]1O 238754881 WLNBDZUPCWZZJJ-KDVDESOOSA-N 334.456 3.443 30 1 EGEF NC(=S)NN=C1c2ccccc2-c2cc(Br)ccc21 263591386 ZWRGSLGTWZRDMP-UHFFFAOYSA-N 332.226 3.015 30 3 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C#N)n2)N1 587775047 YHPHPSASGSTOAX-JDNHERCYSA-N 346.203 3.478 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 156772947 DWNHGPRUSBRDRF-BAWAYCLUSA-N 346.423 3.250 30 1 EGEF biogenic O=C(O)[C@H]1CCN(CCO/N=C/c2cccc(-c3ccccc3)c2)C1 1857560654 FKKSSWRRHUQJOT-ORTNRGLGSA-N 338.407 3.111 30 1 EGEF N#Cc1cccc(-c2nc3ncnc(NC(=O)c4ccccc4)c3[nH]2)c1 58603626 HWRIIGPVHLJENO-UHFFFAOYSA-N 340.346 3.144 30 1 EGEF CC(C)NC[C@H](O)CO/N=C1\CCCOc2ccc3ccccc3c21 26938573 FTTRSWRVANNDLF-KDCJFMNISA-N 342.439 3.092 30 1 EGEF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@H](O)C(C)=CCCC(C)=CC[C@@H]2O 2356498405 VQNZCESYUXUBIE-JPLJXNOCSA-N 334.456 3.443 30 1 EGEF CO[C@@H]1CCC2=C(CN(C)c3c2ccc2cc4c(cc32)OCO4)C1=O 2356648013 LHCWTGWITBHAPB-MRXNPFEDSA-N 337.375 3.150 30 1 EGEF COc1ccc2c(c1)[C@@H]1O[C@@H]1Cc1cc(OC)c(OC)c(OC)c1-2 26727323 RQXHJSQFAREWIS-WBVHZDCISA-N 328.364 3.384 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(cc1[N+](=O)[O-])OCO2 587907591 ODNVJJONXJYJRQ-UHFFFAOYSA-N 331.711 3.385 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C\CC[C@@](C)(O)[C@@H](O)C[C@H]12 169292845 HZAPTPBMBOIGCM-OKJJGNMPSA-N 334.456 3.443 30 1 EGEF O=C(NO)c1cc(CCCOc2ccc(Cl)c(Cl)c2)on1 1857569986 HSCMNANXAPEYNR-UHFFFAOYSA-N 331.155 3.112 30 1 EGEF CN1C(=O)[C@@H](CN2CCCCC2)C[C@@H]1C#Cc1ccc2occc2c1 38208270 KNSUADXKFTZSIZ-MOPGFXCFSA-N 336.435 3.117 30 1 EGEF O=C1NC(=O)/C(=C/c2ccc(/C=C/C(=O)c3ccccn3)cc2)S1 95572464 HYQMSCUQLQZEFP-UVBRKHIMSA-N 336.372 3.302 30 1 EGEF O=c1[nH]c2ccc(/N=C/c3c(O)cccc3Br)cc2[nH]1 299821390 LSPGVPJYVLVLRJ-FRKPEAEDSA-N 332.157 3.075 30 1 EGEF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H](O)c1ccoc1 299863521 PIHPERXLEMONET-NADOGSGZSA-N 334.456 3.445 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccnc2[nH]cc(C(=O)O)c12 587911066 GSBQRSQIJXGQCV-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF C=C[C@@]1(CC)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963133742 CDFFPBGKQKXZOE-BDJLRTHQSA-N 338.429 3.181 30 1 EGEF Cc1[nH]c2ccccc2c1CCNCc1cccc(/C=C/C(=O)NO)c1 1772601825 WCSFUXZFWJHMFA-MDZDMXLPSA-N 349.434 3.327 30 1 EGEF CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cnn(C)c1C 18246681 HGNCCFWWBKGFFI-YWJBVVMDSA-N 343.427 3.346 30 1 EGEF COc1cc2c(c(N)c1O)C/C(=C\c1cc(C)c(O)c(C)c1)C2=O 27552730 KDYFCFBXKAULGX-WUXMJOGZSA-N 325.364 3.128 30 1 EGEF C=C1CC[C@@H]2[C@](C)(CO)C(=O)CC[C@]2(C)[C@H]1CCC1=CCOC1=O 2356498327 ROPZFDGMJDAXOR-FEHORTKBSA-N 332.440 3.200 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(CO)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356628976 NMFLQFIFJRTHHO-KURKYZTESA-N 346.423 3.011 30 1 EGEF COc1cc(OC)c2c(c1)O/C(=C/c1ccc(OC)c(O)c1)C2=O 210721851 YUECETOWCFGWQI-FRKPEAEDSA-N 328.320 3.034 30 1 EGEF O=S1(=O)C=C(OCc2ccccc2)[C@]2(CCc3ccccc3C2)O1 40828935 QRRSGSDFJJCJRV-LJQANCHMSA-N 342.416 3.332 30 1 EGEF N#CC[C@H]1Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1 299840242 WIKRMTRVQIDFRZ-IBGZPJMESA-N 333.435 3.428 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(C(=O)O)n(C)nc2c1 587907124 DVNNHHNSKPDBEX-UHFFFAOYSA-N 340.766 3.333 30 1 EGEF N#Cc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1O 587188207 OXOJJENPJKSXDG-UHFFFAOYSA-N 333.120 3.104 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@H](C#N)N(C)C2=O 587907286 JBFWMDZVHLCQIY-KRWDZBQOSA-N 336.778 3.399 30 1 EGEF C=C(C)n1c(=O)n(C(=O)c2ccccc2C)c2cc([N+](=O)[O-])ccc21 1857763178 HRHYOQBJLJKIGW-UHFFFAOYSA-N 337.335 3.199 30 1 EGEF O=C1C2=C(O[C@@H](c3cn(-c4ccccc4)nn3)C2)C(=O)c2ccccc21 1857773376 GLDCVIOJRZWUGE-QGZVFWFLSA-N 343.342 3.062 30 1 EGEF C(#Cc1ccccc1)CSc1nsnc1[C@@H]1CN2CCC[C@H]1C2 1545829 HCABSDMEPTYQBN-JKSUJKDBSA-N 341.505 3.491 30 1 EGEF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(C#N)cc1 2356436779 ZNEDDJAULDXCCA-ZCNNSNEGSA-N 340.467 3.411 30 1 EGEF C=C1[C@H]2CC[C@@]3([C@H]1O)[C@@H](C2)[C@@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]1C[C@H]3O 2356567279 OBIAEZKGQYQFCQ-ULXBPAFOSA-N 348.483 3.070 30 1 EGEF C=C1CC[C@H](C(C)C)C=C[C@](C)(O)CC(=O)C[C@@](C)(O)CC[C@H]1O 2356595741 REFMWIIIPOFHJU-RNQOJCNYSA-N 338.488 3.157 30 1 EGEF C=C1CC[C@]2(O)C(=C)CO[C@@H]2C=C(C)CC[C@H]2O[C@H]1CC[C@@]2(C)O 2356610103 DUEYDKGXQKDGHI-UTBUEMAESA-N 334.456 3.048 30 1 EGEF CC=C(C)[C@H]1Oc2ncc(-c3ccc(O)cc3)c(O)c2[C@]1(C)C=O 2356782427 FCWZRGQNYIKFEE-MJGOQNOKSA-N 325.364 3.344 30 1 EGEF C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@H](C)CC)=C/C[C@H]12 40764414 VQRWOFINNQGFFG-DYZYWWSNSA-N 348.439 3.093 30 1 EGEF C=C1C(=O)O[C@H]2C[C@@H]1[C@@H](O)C/C(C)=C/CC/C(C)=C/CC[C@@]2(C)O 238755021 GQCXSSWGCFPUBF-ULYAPGBTSA-N 334.456 3.443 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@](C)(O)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 238746393 QMKCRYHPZVAORM-HFLOUUOJSA-N 332.440 3.459 30 1 EGEF N#CC[C@@H]1Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1 299840243 WIKRMTRVQIDFRZ-LJQANCHMSA-N 333.435 3.428 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)N(C)C)c(OC)c1 587903957 WSQVQCGRFRFHCD-UHFFFAOYSA-N 343.810 3.459 30 1 EGEF CCc1ccccc1NC(=O)c1nc2c(C#N)nc(Cl)cc2[nH]1 587240612 GHVMKNNFCHSEHR-UHFFFAOYSA-N 325.759 3.298 30 1 EGEF N#Cc1nc(Cl)cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587148989 FSQSPXIJPNJZGF-UHFFFAOYSA-N 347.693 3.109 30 1 EGEF COc1ccc(/C=C\C(=O)CC(=O)/C=C\c2ccc(O)cc2)cc1O 168236306 IOOHDWLSBIIPCT-AVWDGMTFSA-N 338.359 3.361 30 1 EGEF COc1cc(OC)c(/C=C/C(=O)c2c(O)cccc2OC)c(OC)c1 103249302 UONXTKVFIVPLHR-CMDGGOBGSA-N 344.363 3.323 30 1 EGEF C=C(Cc1ccc(O)c(OC)c1)[C@@H](CO)Cc1ccc(O)c(OC)c1 2356531525 BTVZLULIATXDNP-MRXNPFEDSA-N 344.407 3.065 30 1 EGEF C=C1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)OC)[C@H]1C[C@@H]3O 2356762570 GAOPBOSWKOSYEQ-RFXXLTOMSA-N 346.467 3.278 30 1 EGEF C=C([C@@H]1C[C@H]2[C@@](C)(CC[C@@]3(O)C(C)(C)CCC(=O)[C@]23C)O1)[C@@H](C)O 473090980 QNGSEZPHDRSXMT-YBDDNXDTSA-N 336.472 3.008 30 1 EGEF N#Cc1cccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 586985116 ZHZCCOXYFABCBR-CYBMUJFWSA-N 341.212 3.440 30 1 EGEF C#CCn1cccc1[C@@H]1c2cccc(Br)c2CCN1C 963270579 PQFXCIZUEUOURS-KRWDZBQOSA-N 329.241 3.461 30 1 EGEF CC(C)(CCc1ccccc1)C(=O)Nc1ccc(C(=O)NO)cc1 13671711 KWPCQQHCIBCAQM-UHFFFAOYSA-N 326.396 3.403 30 1 EGEF C(#Cc1ccccc1)CSc1nsnc1[C@H]1CN2CCC[C@H]1C2 1546299 HCABSDMEPTYQBN-HOTGVXAUSA-N 341.505 3.491 30 1 EGEF O=C1CSC(Nc2ccc3ccccc3c2)=C1C(=O)NCC1CC1 101701046 IIPVGQQLJVWGCA-UHFFFAOYSA-N 338.432 3.305 30 1 EGEF Cc1nn(-c2ccc(F)cc2)c(O)c1/C=N/c1c(C)nn(C)c1C 104704180 IBQBHHTZWYWTKB-DJKKODMXSA-N 327.363 3.126 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C=C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356496375 HKIFVFPEXSTSFX-GFAJBQDWSA-N 344.407 3.026 30 1 EGEF C#CCN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccc(O)cc2)C1 27843941 WDWSIDDLZLFVFV-INIZCTEOSA-N 343.810 3.080 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=CC=CC2=O)N1 587817807 NBNSQAFEUFZXLZ-MGPLVRAMSA-N 336.204 3.403 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1OCC(=O)N(C)C 587902241 AWHPHIPPIHWMSX-UHFFFAOYSA-N 343.810 3.215 30 1 EGEF O[C@@H](CNc1nc2ccccc2s1)CON=C(C1CC1)C1CC1 11422294 PYPOMZTYAJHLIY-ZDUSSCGKSA-N 331.441 3.262 30 1 EGEF COc1c(C(=O)/C=C/Nc2ccncc2)c(O)c(OC)c2occc12 40845654 UZYULOCSCOSJFD-WEVVVXLNSA-N 340.335 3.359 30 1 EGEF C[C@H](O)[C@@H]1C[C@@H](O)[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257507420 OVQSVMZESAVYPN-ZEYZEQMGSA-N 332.484 3.486 30 1 EGEF endogenous,in-man COc1ccc(Cl)cc1C#Cc1cncc(C(=O)NC2CC2)c1 587908364 RMVIXWARWWFFCS-UHFFFAOYSA-N 326.783 3.036 30 1 EGEF C=C1C(=O)O[C@@H]2C3=C(C)CCC(=O)[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 13486858 QSSPNILUWTYPQM-SJPGYJRDSA-N 344.407 3.052 30 1 EGEF CC(C)(C)NC[C@@H](O)CON=C(c1ccccc1)c1ccccc1 169332563 OOYOSPVOKUFHQY-GOSISDBHSA-N 326.440 3.205 30 1 EGEF CC1=CCC[C@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2[C@@H](O)C[C@H](C)[C@@]3(C)CC1 2356381539 QERBULPKWCHSBH-VFFRTQISSA-N 334.456 3.087 30 1 EGEF C[C@H](O)CC1=C(O)C2=CC(=O)[C@@H]3C(C)(C)CCC[C@@]3(C)C2=C(O)C1=O 2356683247 MRGKYYLMJXRUKL-XGGWZBKUSA-N 346.423 3.306 30 1 EGEF Cn1cnc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)c1 113882061 KLNITVITXATEGG-UHFFFAOYSA-N 345.410 3.093 30 1 EGEF N#Cc1cccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 586985117 ZHZCCOXYFABCBR-ZDUSSCGKSA-N 341.212 3.440 30 1 EGEF COc1ccc([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2C)cc1 104046624 LIFKDENNUZQDGZ-HMNTXPNISA-N 337.375 3.055 30 3 EGEF Cc1ccccc1CNC(=O)c1cncc(-c2ccc(C#N)cc2)n1 64446853 VYANEYBOMGSJQI-UHFFFAOYSA-N 328.375 3.254 30 1 EGEF C=CCN(CC)C(=O)[C@@]1(c2ccccc2)[C@H](CN)[C@@H]1c1ccccc1 29046900 RTMQOOCMZQWPBD-URVUXULASA-N 334.463 3.331 30 1 EGEF CC(C)(O)[C@@H]1Cc2c(O)ccc(C(=O)C=Cc3ccc(O)cc3)c2O1 2356739683 SUKRWJWSDOFKRU-SFHVURJKSA-N 340.375 3.068 30 1 EGEF COC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2Br)C[C@H]1C 27325869 OALFGSREAGYUHD-OTYXRUKQSA-N 338.201 3.143 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc(O)c1OC 587900738 UGUFPADBVAKCIM-UHFFFAOYSA-N 332.739 3.161 30 1 EGEF Brc1cc2[nH]c(C=NOCc3ccccc3)nc2cn1 587191273 XCPGKGUOWJMLIQ-UHFFFAOYSA-N 331.173 3.271 30 1 EGEF Cc1ccc(C(=O)/C=C\c2nc3nc(Br)c[nH]c-3n2)cc1 587968625 VOZJRFMGGYGQEK-SREVYHEPSA-N 343.184 3.272 30 1 EGEF O=C(/C=C/C#Cc1ccccc1Cl)NC1=C(C(=O)O)CCCC1 1772628397 GTBYYRMHGRYJPX-WUXMJOGZSA-N 329.783 3.277 30 1 EGEF CC/C=C\C[C@@H](O)[C@@H](O)/C=C/C(=O)CCCCCCCC(=O)O 169622036 PLHUEKVESBJIRC-XJNIFLOXSA-N 326.433 3.005 30 1 EGEF C=CCN1c2cc(F)ccc2NC(=O)[C@@]1(C#CC1CC1)C(F)(F)F 2008761 TXQUTOBSQIXUSA-INIZCTEOSA-N 338.304 3.485 30 1 EGEF CC(=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)CC[C@H]3O)CO 2356464216 BDMIMSPBTFWTBC-RDDTUUHWSA-N 346.467 3.445 30 1 EGEF CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@H]2C=C(C)CCC=C(C)C)C1 2356497507 PXCPYWFVMWHLIE-KPFFTGBYSA-N 346.423 3.442 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@@H](OC(=O)C=C(C)C)[C@H]12 2356624156 SSNIKFYEQNIUHF-YSHGAJCASA-N 346.423 3.010 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=CC2=CC(=O)C[C@@H](C)[C@@]21C 2356729200 MLPADAGLUVTHDI-JSZUHDFRSA-N 342.391 3.177 30 1 EGEF CC/C(N)=N\c1ccc2c(c1)C(=O)c1ccc(/N=C(/N)CC)cc1C2=O 169324873 PDIWCEOTJFVMPT-UHFFFAOYSA-N 348.406 3.259 30 1 EGEF CCOC1=C/C(=C/C=C2/C=C(C(=O)O)c3ccccc3N2)C=CC1=O 13119055 KZNQZDHSBORXEU-LGBNFOQRSA-N 335.359 3.450 30 3 EGEF CC#CCOc1ccc(S[C@@H](C(=O)NO)c2ccccc2)cc1 13585962 CDIBBFPULKXHGN-QGZVFWFLSA-N 327.405 3.428 30 1 EGEF C=CCOc1cccn2c(N(C)C(=O)c3ccncc3)c(CC)nc12 61904157 LAXDXZYXFOHJRI-UHFFFAOYSA-N 336.395 3.133 30 3 EGEF COc1cc(OC)c(C(=O)C=Cc2ccc(O)cc2)c(O)c1OC 2356539484 PSPONZNQSBPSLY-UHFFFAOYSA-N 330.336 3.020 30 1 EGEF C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)[C@H](O)CC[C@]3(C)[C@]2(O)CC1 2356694191 XARJWEAKRVLXPB-UOWJPWOOSA-N 332.440 3.212 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(\C)CC/C=C(/C)[C@H]2O 195359156 IAWHPIHHKZYGDC-WXBVQTFBSA-N 332.440 3.221 30 1 EGEF C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@@H]1C(C)(C)CCC[C@]21C 238768814 RVGILYCGIFAEPU-IZDJOXEWSA-N 330.424 3.420 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(Br)nc1N 587910555 HSSRXTVOYDBDMH-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF C/C=C1/C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 153528038 SNBODTQYFCSFKC-ASTZDSSBSA-N 332.484 3.486 30 1 EGEF COc1ccc2c(c1)[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3=CC2=O 26473532 AUDJQODGILRJBC-NSPYISDASA-N 327.380 3.284 30 1 EGEF COc1ccccc1Oc1ncccc1/C(=N/O)N1CCSCC1 72182953 CQGLQMZSGATCPQ-MNDPQUGUSA-N 345.424 3.067 30 1 EGEF CC(C)=CC[C@H]1C(=O)C(C(=O)C(C)C)=C(O)[C@@]1(O)C(=O)/C=C/C(C)C 1642676727 VFOIIASOCMWQKR-GXMAMIFBSA-N 348.439 3.091 30 1 EGEF Cc1[nH]nc2c1[C@H](c1ccc(-c3ccccc3C#N)o1)[C@@H](C#N)C(=N)O2 169687479 BKWSGLOBLNSUMO-DYVFJYSZSA-N 343.346 3.491 30 1 EGEF N#C[C@@H]1C(=N)OC2=C(C(=O)N[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 169724147 GFBLCEMDXOXZMD-LZLYRXPVSA-N 343.386 3.433 30 1 EGEF C[C@H](Cc1ccc(OCc2cccc(C#N)c2)cc1)N(C)CC(=O)O 1857766714 HYNCYJHRJIXTKE-OAHLLOKOSA-N 338.407 3.085 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)[C@H](OC(=O)[C@@H](C)CC)C[C@H]12 2356663091 SQRYPCTWZQIPKH-KMJFJPQNSA-N 348.439 3.089 30 1 EGEF CCN(C1=CC(=O)c2c(cnc3c2C(=O)CCC3)C1=O)c1ccccc1 72107027 XSMHMQDMSPTVFU-UHFFFAOYSA-N 346.386 3.390 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(N2CCC(O)CC2)nc1 587907564 BULLHIMRNFZNHM-UHFFFAOYSA-N 342.826 3.105 30 1 EGEF C#CCOc1ccc(OC)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587398857 FWTBFCOLNBYUGD-LJQANCHMSA-N 337.375 3.304 30 1 EGEF C#Cc1cccc2c1[C@]1(C(=O)N2)c2ccc(F)cc2C[C@H]2CCCN21 963106422 NAYOZNZOKFBDQF-IERDGZPVSA-N 332.378 3.023 30 1 EGEF C#Cc1ccnc(NC(=O)Nc2cccc3c2[C@@H]2CCCCN2C3=O)c1 1857578229 WROPYEAREMSHKX-INIZCTEOSA-N 346.390 3.388 30 1 EGEF C=C1C(=O)[C@]23C[C@H](O)[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)C2=CC[C@@H]1C3 2356815528 CSODFCSZYDJPLH-OAZCPAOXSA-N 330.424 3.110 30 1 EGEF C[C@H](CC=CC(C)(C)O)C1=CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)[C@@H](O)CC3 2356861231 UGVHYWGUKVKPFV-KTEKHNOJSA-N 346.467 3.443 30 1 EGEF O=C(CCCCCC1CCN(C(=O)NCc2ccccc2)CC1)NO 71329618 KNOWRYOFBPLUJA-UHFFFAOYSA-N 347.459 3.064 30 1 EGEF CN1CC[C@@H](N2CCCc3cc(/N=C(\N)c4cccs4)ccc32)C1 140809951 XGNLBYKIAXNPTG-MRXNPFEDSA-N 340.496 3.242 30 1 EGEF C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)[C@@H](O)C[C@@H]12 263591406 GVKVGOGUDSJCLX-OUCVULTDSA-N 328.452 3.439 30 3 EGEF COC1=C/C(=C/NN2[C@@H](C)CCC[C@@H]2C)C=C(Br)C1=O 13119083 GYZPGHGXHKDAMG-MBTLQNOZSA-N 341.249 3.030 30 3 EGEF C=C(C)COC1=CC(=O)/C(=C2/NNC=C2c2ccccc2OC)C=C1 104028865 YBFCMTJENPCSFC-CAPFRKAQSA-N 336.391 3.014 30 3 EGEF C=C[C@](C)(O)C[C@H](C=C(C)C[C@H](C=C(C)C)OC(C)=O)OC(C)=O 2356677947 ZWCHRIPZSGWZAL-FHWLQOOXSA-N 338.444 3.480 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12 2356692243 OWAUPJWPBXIMAJ-YPLULLRNSA-N 346.423 3.250 30 1 EGEF COC(=O)[C@H]1CC[C@@H]2[C@@H]3CNC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253712245 ZJOMBWSBLZDZAK-KQDWJIRRSA-N 331.456 3.074 30 1 EGEF CCCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccn1 653857483 CNSGWJRTENMKET-KRWDZBQOSA-N 336.391 3.404 30 1 EGEF COc1cc2c3c(c1)O[C@](C)(c1ccc(C#N)cc1OC)[C@@H](C2)C3=O 587428630 LIBGRXGWLPRPEF-MGPUTAFESA-N 335.359 3.238 30 1 EGEF CC1(C)Oc2ccc(C#N)cc2[C@](F)(C(=O)Nc2ccccc2)C1=O 13650104 TYAJKWOGNNTUFV-LJQANCHMSA-N 338.338 3.102 30 1 EGEF CC/C(=N\c1ccc(N)cc1)C1=C(O)[C@@H](C(=O)OC)C(C)(C)CC1=O 101500278 XBHWNHNMFBCEOZ-REIAIGDLSA-N 344.411 3.352 30 1 EGEF COc1ccc(OC)c(/N=C/c2c(O)oc3ccccc3c2=O)c1 102700679 MTAMOMQOXYWSSM-VXLYETTFSA-N 325.320 3.266 30 1 EGEF CC1(C)Oc2ccc(C#N)cc2[C@@H]2[C@@H]1OCCN2C(=O)c1ccccc1 27524048 UFMRRLAHTWRMTL-MOPGFXCFSA-N 348.402 3.312 30 1 EGEF CCCNC(=O)N1[C@H](C#N)[C@H](c2ccccc2C2=CCCC2)[C@@H]1CO 95867942 JAWDJMGGZOQHNH-QYZOEREBSA-N 339.439 3.026 30 1 EGEF N#Cc1nc(Cl)cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c12 587163582 RUGQXDAAPDDHNL-UHFFFAOYSA-N 343.749 3.193 30 1 EGEF C[C@]12CN(NC(=O)c3ccc(Cl)cc3)[C@@]3(C#N)C[C@@H]1CC[C@@]23C 169365092 GICLVULQWFFDEX-XDKFSHSGSA-N 329.831 3.389 30 1 EGEF C[C@@]12CC[C@H]3C[C@]1(C#N)N(NC(=O)c1ccc(Cl)cc1)C[C@]32C 3105554 GICLVULQWFFDEX-HNONPPJISA-N 329.831 3.389 30 1 EGEF COc1csc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)c1 26819922 PDPHQCQMUFZTIF-UHFFFAOYSA-N 346.817 3.125 30 1 EGEF C=C1CC[C@@H]2O[C@]2(C)CC[C@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@@H]12 2356633144 YXTOBXGODMEKLL-JWWIWJDOSA-N 332.440 3.317 30 1 EGEF COC[C@H](C)N/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1 72183347 BAMYXFIEYSAZJG-NSHDSACASA-N 335.791 3.288 30 1 EGEF CCCCCCCCn1n[n+](CC)c2c1C(=O)c1ccccc1C2=O 73140425 ITZIADJSQPHPSQ-UHFFFAOYSA-N 340.447 3.326 30 1 EGEF C=CCCC#CC#CC#CCCCCCC[C@@H]1C[C@@H](CO)OC1=O 49034105 PNMPARWIIBHFCP-UXHICEINSA-N 326.436 3.227 30 1 EGEF biogenic,in-vitro O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(F)cn2)cc1 95920826 QHCRWOYXPXJUJS-KZNAEPCWSA-N 349.365 3.285 30 1 EGEF in-vitro N#Cc1cc(Br)c2[nH]c(-c3cc(CO)ccc3F)nc2c1 587139948 BDYUTAAWDMBGEI-UHFFFAOYSA-N 346.159 3.495 30 1 EGEF COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)c(C#N)c1)[C@@H](C2)C3=O 587426620 AKDAGWOROLEPRU-MGPUTAFESA-N 334.375 3.122 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(C#N)c2)N1 587775686 UBDMKWHLTBVFPC-FVMDXXJSSA-N 346.203 3.478 30 1 EGEF CN1CCC2(CC1)/C(=N/C1CCCCC1)NC(=O)N2c1ccccc1 5941806 IYPZARMGQRMALR-UHFFFAOYSA-N 340.471 3.412 30 1 EGEF COc1cc(/C=C2\COc3cc(O)ccc3C2=O)cc(OC)c1OC 14511137 XCUPWTBYTPKFKR-WUXMJOGZSA-N 342.347 3.077 30 1 EGEF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](C#N)C(=O)N2 6482383 PXJJMZRPGBMTIG-MGXMICMRSA-N 326.440 3.137 30 1 EGEF CCC/N=c1\c(N/C(O)=N/CCCOCC)c(O)oc2ccccc12 103655107 LFXCPVXZQVZFSM-CYVLTUHYSA-N 347.415 3.202 30 1 EGEF CC1(C)C[C@@H](C(=O)Nc2c(Cl)cccc2Cl)C(=O)[C@@H]2O[C@@H]21 26958394 RNPZBNBGFWAMBA-RDZIJCNDSA-N 328.195 3.315 30 1 EGEF CC(C)[C@@H]1CC(=O)C2=CC3=C(CO)C(=O)C(O)=C[C@]3(C)CC[C@@]21C 2356580643 ZMQGQTKRCUHYLP-QTJFZDIUSA-N 330.424 3.278 30 1 EGEF C[C@]1([C@H](O)CO)CC[C@@]2(C)[C@@H]3CCC(=O)C(=CO)[C@]3(C)CC[C@@H]2C1 2356648274 VEHQOXOBKPFBHP-BHPSNQOYSA-N 336.472 3.373 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)CC(=O)/C1=C\N(C)C)O2 587387795 SJPRHUTVMJVBGW-YNEJIKTKSA-N 342.439 3.116 30 1 EGEF N#Cc1cccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c12 587112934 WQSMNEBRVDGHOH-UHFFFAOYSA-N 344.296 3.383 30 1 EGEF COc1ccc2c(c1)[C@]1(C=CN2CCC#N)NCCc2c(C)ccnc21 963078743 YXQDPCUEHRILAX-NRFANRHFSA-N 346.434 3.035 30 1 EGEF O=C(/C=C/c1ccc(Br)cc1)c1c(O)cc(O)cc1O 13556002 HYJYMZIVFPTMAO-ZZXKWVIFSA-N 335.153 3.462 30 1 EGEF CC1(C)Oc2c(C(=O)/C=C/c3ccc(O)cc3)ccc(O)c2C[C@@H]1O 15216728 UGEVDAKDRYGXKU-YXOJNZSOSA-N 340.375 3.068 30 1 EGEF biogenic,in-vitro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c1ccc2ncsc2c1 84710832 BXJGJQPNYFLPDY-HNNXBMFYSA-N 328.437 3.331 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(NCC(OC)OC)nc1 587908099 LIWZBZYIGGQWQC-UHFFFAOYSA-N 346.814 3.174 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(OC)ncc(C(=O)O)c1C 587902875 CZIWMKOQPVWVCH-UHFFFAOYSA-N 331.755 3.159 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CNC(=O)CC#N)cc1 587905620 BUAKIVFEFOZPHY-UHFFFAOYSA-N 338.794 3.278 30 1 EGEF C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1cccs1 100707992 QOYOFJYVJWRFBE-MKVLZVNKSA-N 345.380 3.159 30 1 EGEF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC2=CCO 2356390846 FIMYJWIQTVIDQB-LEZSPFLNSA-N 328.452 3.184 30 1 EGEF O=C(O)C(=O)Nc1ccc(C#Cc2ccc(OC(F)(F)F)cc2)cc1 1911586514 RMIKMESCOHMNMH-UHFFFAOYSA-N 349.264 3.008 30 1 EGEF N#Cc1c(O)c2c(ccn2-c2ccc(-c3ccccc3O)cc2)[nH]c1=O 96911254 IENVGZZXGQCFAH-UHFFFAOYSA-N 343.342 3.269 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C)C(=O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 238738856 JDJDTBKVRVBWGQ-YONZLHFISA-N 346.423 3.298 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1sc(N)c3C#N)O2 587413278 GLOHDIJCXZYXRA-GOSISDBHSA-N 339.420 3.290 30 1 EGEF COC1=CC(=O)c2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443188 PGXQCNSRXMKYDP-VFNWGFHPSA-N 348.354 3.065 30 1 EGEF CNc1ncccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880551 QXFFFAVKLBOXCV-UHFFFAOYSA-N 348.233 3.141 30 1 EGEF N#Cc1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586996610 HXXVCGQAZRGXMJ-CQSZACIVSA-N 328.169 3.279 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(NS(C)(=O)=O)cc1 587918945 CHJKUYBKSJSAIJ-UHFFFAOYSA-N 335.812 3.120 30 1 EGEF COc1ccc(C(=O)/C=C/c2cc(O)c(O)c(F)c2F)c(OC)c1 6018613 DLHFKCWLKHMAAO-ZZXKWVIFSA-N 336.290 3.289 30 1 EGEF CCOC(=O)/C(=C\c1ccc(O)c(OC)c1)C(=O)c1ccccc1 5810744 SBZMQKDOZQTPFA-PTNGSMBKSA-N 326.348 3.230 30 1 EGEF C1=CC2=NC(N/N=C/c3ccc4ccccc4n3)=C3CC=CN3[C@H]2C=C1 1857628631 XPQGJCYFSWWXCP-KWJZBXMYSA-N 339.402 3.496 30 1 EGEF Cc1cc(-c2ccc(F)cc2)n(Cc2ccc(C(=O)NO)cc2)n1 1857641528 QOKNQGZUAGLUCJ-UHFFFAOYSA-N 325.343 3.165 30 1 EGEF CC1=CC(=O)O[C@H](C=C(C)[C@@H](O)CC[C@H](C)C2=CC(=O)C(C)(C)O2)C1 2356395198 MVGBWGQAUHVNGU-BPUTZDHNSA-N 348.439 3.234 30 1 EGEF C=C[C@](C)(O)C[C@H](O)C=C(C)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356599559 DUKIIUKDKITKSX-GGPKGHCWSA-N 340.504 3.259 30 1 EGEF CCCC[C@H](/C=C/c1ccccc1)n1cc(/C=C/C(=O)NO)nn1 72139628 ZSNWEOFWQAALIR-JXBAWMBHSA-N 326.400 3.241 30 1 EGEF CCc1cc(-c2ncnc(CC)c2C#Cc2ccc(N)nc2)ccn1 148881911 ZWLKPZBIOVYSKF-UHFFFAOYSA-N 329.407 3.040 30 1 EGEF CC(C)(C)c1cc(C(=O)/C(C#N)=N/Nc2ccc(F)c(F)c2)no1 473107747 KHIDICSNQISIEH-FYJGNVAPSA-N 332.310 3.425 30 1 EGEF COC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1[N+](=O)[O-] 587903996 YFRIYMRNIIANRV-UHFFFAOYSA-N 345.738 3.443 30 1 EGEF Cc1[nH]nc2c1[C@@H](c1cc(Br)cs1)[C@@H](C#N)C(=N)O2 169691085 RFWGQKMIYPZBQC-GMSGAONNSA-N 337.202 3.183 30 1 EGEF COc1cccc(C=CC(=O)c2c(O)cc(OC)c(OC)c2OC)c1 2356495457 SLWWZJVAKSCKGD-UHFFFAOYSA-N 344.363 3.323 30 1 EGEF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(C#N)ccc21 587487584 WLFVZOCXQHOONC-HXUWFJFHSA-N 348.358 3.029 30 1 EGEF CC(=N)[C@@H](C#N)C(=O)CSc1nnc(Nc2ccccc2)s1 13081199 QEPIBDLQQJYUOC-LLVKDONJSA-N 331.426 3.122 30 1 EGEF C[C@@]12CCC=C(CO)CC[C@@H]3/C(=C\c4cccs4)C(=O)O[C@@H]3[C@@H]1O2 1857555623 WBDNNXUMTIOBOA-MTUGTBNSSA-N 346.448 3.323 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H]3O[C@]3(C)[C@@H](OC(=O)[C@H](C)CC)CC=C(C)CC[C@H]12 2356382869 QPBIVEZQZLZRFV-CQQVFXFCSA-N 348.439 3.330 30 1 EGEF O=c1[nH]cccc1[C@@](C#CC1CC1)(OCc1cccnc1)C(F)(F)F 26840461 DPMJDHCVDUDNHY-QGZVFWFLSA-N 348.324 3.158 30 1 EGEF O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cc(Cl)c2c(c1)OCCO2 103251551 MMWFLIBCIOFXBI-BZUAXINKSA-N 345.782 3.114 30 1 EGEF C[C@H](CS)C(=O)N(CC(=O)O)[C@@H]1CCCC[C@@H]1c1ccccc1 28260252 MXVGENQUBZJOOE-FVQBIDKESA-N 335.469 3.192 30 1 EGEF O=C(/C=C/c1ccc2c(c1)CN(CCc1c[nH]c3ccccc13)C2)NO 72176976 PHMSOOBTXSCMBO-SOFGYWHQSA-N 347.418 3.245 30 1 EGEF CC(=O)O[C@@H]1CC[C@]23O[C@@H]2CC[C@H](C)[C@@]3(C)C=C(C)[C@H]1OC(C)=O 2356765148 UPYMCEHJCPVDSR-PLZQHRNFSA-N 336.428 3.164 30 1 EGEF CCC=CC[C@@H](O)[C@H](O)C=CC(=O)CCCCCCCC(=O)O 2356849652 PLHUEKVESBJIRC-IAGOWNOFSA-N 326.433 3.005 30 1 EGEF CCCCCCCCCCCCCCOC[C@H]1NC[C@H](O)[C@@H]1O 82149374 ASXMJJWEGUOYKM-CEXWTWQISA-N 329.525 3.398 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(S(N)(=O)=O)c(C)c1C 587918619 ZTBSJUGAJGTTAH-UHFFFAOYSA-N 349.839 3.013 30 1 EGEF N#CC[C@@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586017 APFQVGINBANEEC-PXNSSMCTSA-N 346.342 3.491 30 1 EGEF CC1=C(CSC(=S)N2CCSC2)C(=O)c2ccccc2C1=O 1857637588 XMOZXJWMLCKADB-UHFFFAOYSA-N 349.502 3.407 30 1 EGEF COC(=O)c1cn(-c2ccc(F)cc2)c2c1C(=O)C(C)=C(C)C2=O 28817957 WLQXABVWEMRNFX-UHFFFAOYSA-N 327.311 3.118 30 1 EGEF OC[C@H](O)C#CC#CC=CCCCCCCC=CBr 2356478396 CLUHNURDRVTBII-MRXNPFEDSA-N 325.246 3.152 30 1 EGEF C=C1[C@H](O)[C@H](OC(=O)C(C)=CC)[C@H](C(C)C)[C@@H]2C(=CC)C(=O)C[C@@H]12 2356634736 KNXRRYNSMUERBP-SXXASDTRSA-N 332.440 3.219 30 1 EGEF C=CCN=c1[nH]c2c(s1)C[C@]1(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]1[C@@H]2C 2356645952 KUCHAKYMINHPEX-BJTLMGIOSA-N 346.496 3.417 30 1 EGEF C[C@H](O)CC1=C(O)C2=CC(=O)[C@H]3C(C)(C)CCC[C@@]3(C)C2=C(O)C1=O 2356683246 MRGKYYLMJXRUKL-RHSNALOTSA-N 346.423 3.306 30 1 EGEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C=O 2356738211 DHEPJQQWDJWPJY-ZAXZDERASA-N 332.440 3.190 30 1 EGEF C[C@H]1[C@H]2O[C@H](c3ccoc3)C[C@]1(C)[C@H]1CC[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C 38822496 CIVBWAVGLGBOGB-HXNGJYBXSA-N 344.407 3.245 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)CC(C)C)[C@@H]12 238734890 ZEPVGWURVYMKCE-GREFOCEHSA-N 348.439 3.091 30 1 EGEF COc1cc2ccc(=O)oc2cc1OC(=O)/C=C/c1ccc(C#N)cc1 299856023 BNBKAALHNCNBMM-SOFGYWHQSA-N 347.326 3.292 30 1 EGEF C=C1CC[C@@H]2C(C)(C)C[C@H](O)C[C@]2(C)[C@H]1CCC1=CC(=O)O[C@@H]1O 13329954 PNXYDZZVVDQVKI-KFYUBCHVSA-N 334.456 3.338 30 1 EGEF biogenic CC(C)C1=C[C@@H]2C[C@]3(C#N)[C@@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O 169324233 LFUZWEFVOVESCP-AFVFPFTJSA-N 329.440 3.228 30 1 EGEF CC(C)[C@@H]1O/C(=C/C(=O)CCc2ccc(C(F)(F)F)cc2)NC1=O 1857541491 INRBKUJMKRXRJN-HNRFISLBSA-N 341.329 3.220 30 1 EGEF C=C1C(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1ccccc1 1857655929 JGVXSFNGLJRLPN-QGZVFWFLSA-N 325.364 3.357 30 1 EGEF C=C(C)CCc1c(O)cc2c(c1O)C(=O)c1c(O)cc(C)cc1C2=O 238775468 GSNPMBPHDGJBNQ-UHFFFAOYSA-N 338.359 3.396 30 1 EGEF COC(=O)c1c[nH]c2cncc(C#Cc3cc(Cl)ccc3OC)c12 587911333 PNEWGSQUDAUXCM-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c2nccn2c1 587912617 LQUKOTMFWSDWAG-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF C=CCn1ncc(-n2nc3cc2Oc2ccc(F)cc2-3)c(Cl)c1=O 587873751 JCHMXBXZLSEDPB-UHFFFAOYSA-N 344.733 3.180 30 1 EGEF C/C1=C\CC[C@@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2[C@@H](O)C[C@@H](C)[C@]3(C)CC1 101368947 QERBULPKWCHSBH-MHNXOXIHSA-N 334.456 3.087 30 1 EGEF C[n+]1c(-c2ccc(/C=N/Nc3ccccn3)cc2)cn2ccccc21 26826434 HWZLQGVCZWEZPU-HYARGMPZSA-N 328.399 3.272 30 1 EGEF CC(C)C1=C[C@@H](O)[C@](C)(O)CC(=O)C[C@H](C)CC[C@@H]2O[C@]2(C)CC1 2356501008 KMGLSHJNTMTELI-LWUBGYQZSA-N 338.488 3.398 30 1 EGEF C=C1[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\CCOC1=O 85891512 LAIHLMZBILKPIA-WCIXWMSNSA-N 332.440 3.198 30 1 EGEF O=C1C(Cl)=C(n2cc(-c3ccccc3)nn2)C(=O)c2ccccc21 84634718 QIAMDTATPYEOKA-UHFFFAOYSA-N 335.750 3.432 30 1 EGEF N#Cc1ncc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)s1 587022144 OBLALFHRUSZCAG-UHFFFAOYSA-N 332.392 3.389 30 1 EGEF C/C(=C/C(=O)O)CC#CCNC(=O)Cc1ccc(Cl)cc1Cl 587874865 IWSODXCPVDQSHC-FLIBITNWSA-N 340.206 3.077 30 1 EGEF C[C@@H](C(=O)c1coc2cc(C#N)ccc12)N1C(=O)c2ccccc2C1=O 587279505 WYJMWGWDVQRJIG-NSHDSACASA-N 344.326 3.172 30 1 EGEF C=CCn1c(C)cc([C@]2(CC#N)NCCc3nc4ccccn4c32)c1C 962982740 JWCLFSXEOZSBEP-NRFANRHFSA-N 345.450 3.242 30 1 EGEF COc1cc2c(c(N)c1OC)C/C(=C\c1cc(C)c(O)c(C)c1)C2=O 1857639948 IHDLIOPDOPZLNA-NTUHNPAUSA-N 339.391 3.431 30 1 EGEF C=C1C(=O)O[C@H]2C=C(C)C(=O)CC=C(C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 253671012 FKDIIXZIKCNXAT-BVIRVNDWSA-N 344.407 3.218 30 1 EGEF C=CC(=C)[C@@H]1[C@H](OC(C)=O)OC=C2[C@H]1CC(=O)O[C@@H]2CC=C(C)C 2356381678 VJHRYODKPASJPU-JZGRTCEGSA-N 332.396 3.436 30 1 EGEF CCCCCCCN1CCC(=O)N([C@H](CO)Cc2ccccc2)CC1 38143059 RMYZFVAOIVUOKB-FQEVSTJZSA-N 346.515 3.095 30 3 EGEF N#C[C@@H]1C(=N)OC2=C(C(=O)N[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 169724149 GFBLCEMDXOXZMD-XYJFISCASA-N 343.386 3.433 30 1 EGEF N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1ccccc1OCCO 200833741 DNMJKNCWXWDHBM-UHFFFAOYSA-N 348.358 3.085 30 1 EGEF C=CCNc1ccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@@H]3C2=O)cc1[N+](=O)[O-] 105615590 RPXVFSXKBAUKST-XBFCOCLRSA-N 343.383 3.118 30 1 EGEF C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1cccs1 100707994 QOYOFJYVJWRFBE-SAIXKJTDSA-N 345.380 3.159 30 1 EGEF C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)C(=O)C=C[C@@]3(C)[C@]2(O)CC1 2356859106 SRDUJXZBMCRZKJ-ZCNNSNEGSA-N 328.408 3.196 30 1 EGEF C/C=C/c1ccc([C@@H]2[C@@H](C#N)N(C(=O)NC3CCCC3)[C@@H]2CO)cc1 95897825 WVXGHKZQHTUAKX-IMQKRCPESA-N 339.439 3.024 30 1 EGEF CC(C)/C1=C\[C@@H](O)[C@](C)(O)CC(=O)C[C@H](C)CC[C@H]2O[C@]2(C)CC1 238768709 KMGLSHJNTMTELI-ZQAOOPNPSA-N 338.488 3.398 30 1 EGEF COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O)c1CN(C)C 299823320 UPVFWDUEQGAQID-ZHACJKMWSA-N 341.407 3.367 30 1 EGEF CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccc(O)c(O)c1 653901707 GXOIZEHWKUVHDF-GDNBJRDFSA-N 331.305 3.029 30 1 EGEF COc1ccc(Cl)cc1C#Cc1n[nH]c2cccc(C(=O)O)c12 587913363 QXZDNDMLEGCOOJ-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CC(=O)N(C)C)cc1 587905826 JZNHXTTXDHBSDK-UHFFFAOYSA-N 327.811 3.379 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(OC(C)=O)cc1C=O 587900027 JCDHSGMVDBIZLR-UHFFFAOYSA-N 328.751 3.486 30 1 EGEF COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)c1 1857606997 QUVLNKRTRMYYRD-GOSISDBHSA-N 337.375 3.493 30 1 EGEF C=C(C)[C@H](O)Cc1c(O)ccc2c1O[C@@H]1c3ccc(O)cc3OC[C@H]21 59729375 LRCYZCCKRIVTHN-WRWLIDTKSA-N 340.375 3.187 30 1 EGEF endogenous,in-man COc1ccc2nc(-c3n[nH]cc3/C=C/c3cncc(C#N)c3)[nH]c2c1 28896762 KKTHQEGRHGWTAG-NSCUHMNNSA-N 342.362 3.399 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(COC(=O)CC(C)C)[C@@H](O)C[C@H]12 2356653969 MYMQDSZSSGZQTM-FGTMMUONSA-N 348.439 3.091 30 1 EGEF C#CCn1ccnc1[C@@H]1c2ccsc2CCN1Cc1cccn1C 962373623 NMNVPVQXLSGTSD-SFHVURJKSA-N 336.464 3.064 30 1 EGEF COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@H]1C 29566625 LBXOJPHXVYLGAL-YMTOWFKASA-N 338.201 3.143 30 1 EGEF C=C[C@]1(C)C[C@]2(OC[C@]3(C)O[C@@H]32)O[C@H]2c3c(C)cccc3OC(=O)[C@@H]21 2356763191 AHICRLHMYLDOJO-MPDWGWIWSA-N 342.391 3.068 30 1 EGEF C=C1C[C@H](OC(=O)CC(C)C)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@@H]1O 13432617 CRXFVRRPHNCEQF-ORFRNNEJSA-N 338.488 3.459 30 1 EGEF biogenic COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(C#N)n1 587867799 BNGQYRRFLBAQEF-UHFFFAOYSA-N 345.284 3.228 30 1 EGEF C/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1 1857642823 HSKLWHWWIOKODA-VCHYOVAHSA-N 325.280 3.317 30 1 EGEF C#CCn1c(O)c(/N=N\C(=O)[C@@H](O)c2ccccc2)c2ccccc21 102397271 QUNPSFIWEMCYCC-UNEBPCJRSA-N 333.347 3.324 30 1 EGEF N#Cc1ccc(NC(=O)c2coc(-c3ccccc3)n2)c(C(=O)O)c1 28887067 VKVUWSFOGJHGIP-UHFFFAOYSA-N 333.303 3.164 30 1 EGEF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@H](O)C[C@@]32CN1C 137918615 FNCKOVJIJVZKHE-OIPWLAMZSA-N 341.495 3.195 30 1 EGEF Cc1cc(C)n(-c2nc(S)nc(-c3ccc(F)cc3)c2C#N)n1 96932366 PQMVVRYTVDQWLY-UHFFFAOYSA-N 325.372 3.246 30 1 EGEF Cc1cc(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)no1 96273014 GXVFFGJODDZHQK-UHFFFAOYSA-N 349.415 3.038 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)c2c(c1)C(=O)C(=O)N2 587917782 QOCBVPFTBDGGDL-UHFFFAOYSA-N 329.714 3.022 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc(N)c1OC 587903272 BOINIQBOFHFXOO-UHFFFAOYSA-N 345.782 3.126 30 1 EGEF COc1cc(-c2ccc(C#N)cc2)cc2c1OCCN(C(=O)C1CC1)C2 1772596273 PWGZTKXCJUUYSB-UHFFFAOYSA-N 348.402 3.365 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(\C)CC/C=C(\C)[C@H]2O 169370693 IAWHPIHHKZYGDC-RQLVZSBQSA-N 332.440 3.221 30 1 EGEF C=C1C(=O)OC[C@H]1[C@H](O)c1cn(C(=O)C2CC2)c2ccc(Cl)cc12 1857545256 BBAJXSOUHSBOLQ-GDBMZVCRSA-N 345.782 3.108 30 1 EGEF C=C1[C@@H](O)CC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@H]3O)[C@H](C)CC[C@@]12C 40762667 QLIQMMRUUKMPEX-MOSDKIRPSA-N 334.456 3.338 30 1 EGEF C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCC1=CC(=O)O[C@@H]1O 2356336973 OXOZFUWMJVKNFD-JVVIJLGSSA-N 334.456 3.338 30 1 EGEF O=C(/C=C/c1cccc(Br)c1)c1c(O)cc(O)cc1O 40394117 HDWZMQFKIZQKSI-SNAWJCMRSA-N 335.153 3.462 30 1 EGEF N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 221194330 XJSBRSVRXPBILK-ABAIWWIYSA-N 327.363 3.120 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(/C)CC[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 238781273 IZTIJXKODZYJIM-WRYDFZGJSA-N 346.423 3.250 30 1 EGEF C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@]12C=C(C)[C@@H](O)O2 238756718 DPMMSWDFPUUAAQ-SXLOBPIMSA-N 340.375 3.220 30 1 EGEF COC(=O)c1ccc2nc(C#Cc3ccc(Cl)cc3C)[nH]c2n1 587067298 SMNMKNRBHIKWRL-UHFFFAOYSA-N 325.755 3.106 30 1 EGEF COCC(=O)Nc1cccc(C#Cc2cc(Cl)ccc2OC)c1 587904920 DLGKNLREYAISBA-UHFFFAOYSA-N 329.783 3.333 30 1 EGEF CC[C@H]1OC=CC(=O)[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961614364 KVHOLUIUXKWURV-NVXWUHKLSA-N 348.240 3.214 30 1 EGEF CCc1ccc(N2C(=O)C[C@@](C#N)(C(=O)OC)[C@H]2c2ccccc2)cc1 203469850 VUZDXINGZPBFNJ-CTNGQTDRSA-N 348.402 3.410 30 3 EGEF CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1/C=C/C1=C[C@@H](O)OC1=O 64560794 AJJYJDWULCXJIR-WYUMEHLBSA-N 330.424 3.322 30 1 EGEF C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C#N)cc4)cc3c21 28902160 ULPNRSRCEALLQP-LLVKDONJSA-N 344.374 3.139 30 1 EGEF Cc1ccc(/C(=N/O)NC2CCC2)c(OCc2cccc(F)c2)n1 72186500 BOQNLCXGBWEVMA-UHFFFAOYSA-N 329.375 3.386 30 1 EGEF C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2cnncc2[nH]1 586910183 NBGHAKPCWPPMGH-SFHVURJKSA-N 328.416 3.002 30 1 EGEF C=CC[C@]12CCCC(=O)[C@]1(O)O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C 2356341099 GHWAOEFITBMWCE-FTNBBQJZSA-N 330.380 3.127 30 1 EGEF CCCCOc1ccc(/C(O)=C2\C(=O)CN([C@@H](C)CC)C2=O)cc1 103296124 UIJLEKUUPYAQCC-FKEVTRRJSA-N 331.412 3.344 30 1 EGEF C/C=C/n1cc(/C=C/C(=O)CC(=O)C(=O)OCC)c2ccccc21 101704890 FOKQJBCOOKXMNM-VVVHQUFHSA-N 325.364 3.237 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H](O)C(C)=CCCC(C)=CCCC(CO)=CC[C@@H]12 2356394846 IAWHPIHHKZYGDC-FHWLQOOXSA-N 332.440 3.221 30 1 EGEF CCCCCO/N=C/c1cc(OC)c2c(c1OC)C(=O)C=CC2=O 26383981 ZMGVOYDNCARHBO-YBFXNURJSA-N 331.368 3.180 30 1 EGEF O=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@@H]([C@@H]2CCC(=O)O2)C1 2356416222 MBHNJSJYNWLBSY-CABCVRRESA-N 336.343 3.158 30 1 EGEF CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(O)c2)NC(=S)N1C 36479167 JGBBILLMZPWNFU-KRWDZBQOSA-N 338.432 3.410 30 1 EGEF CC#C[C@H](c1ccc(OCc2ccccc2)cc1)[C@@H]1OC(=O)NC1=O 71341177 NANAVBKZZAPDSA-MSOLQXFVSA-N 335.359 3.008 30 1 EGEF Oc1ccc(-c2nnc(S)n2/N=C/c2ccccc2Cl)cc1 473131272 NQQQWJOMYYURHA-RQZCQDPDSA-N 330.800 3.475 30 1 EGEF N#Cc1nc(Cl)cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 587177352 FLUVLXUOQRIWCO-UHFFFAOYSA-N 342.765 3.284 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(OC)c(/C=C/C(=O)O)c1 587909708 ZLLJUCZUAPFCOU-VMPITWQZSA-N 343.766 3.250 30 1 EGEF Cc1cccc2c1/C(=N/N=C(N)N)C[C@H](c1ccccc1Cl)O2 13474678 SDGGIRXWCHXUJU-NWGMWSOJSA-N 328.803 3.150 30 1 EGEF COc1cc(/C=N/Nc2cnc3ccccc3n2)cc(OC)c1OC 103258008 YPBLUKBKOJQKBU-KEBDBYFISA-N 338.367 3.102 30 1 EGEF C=C1C(=O)O[C@H]2CC(=C)[C@H](O)CCC(C)=C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356635102 UPYSSTOWRYYTEG-ZJPYXAASSA-N 346.423 3.010 30 1 EGEF COc1cc(O)c(C(=O)C=Cc2ccc(O)c(OC)c2)c(OC)c1 2356747247 BXXKRESPUSMTEI-UHFFFAOYSA-N 330.336 3.020 30 1 EGEF C[C@@H]1CCCN1/C(=N\O)c1cccnc1OCc1ccccc1F 72186045 GNPNNWXRFKVWDX-PWNVGIJBSA-N 329.375 3.420 30 1 EGEF C=CCc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 13864516 OQWUYPYMWAOOOX-UHFFFAOYSA-N 339.420 3.402 30 1 EGEF CC(C)(O)C#Cc1ccc2c(c1)NC(=O)CC(c1cccc(C#N)c1)=N2 101097430 GPITVZAXPPGWDC-UHFFFAOYSA-N 343.386 3.144 30 1 EGEF CC(=O)O[C@@H]1C(=O)CC(C)(C)[C@@]23O[C@@H]2C[C@@H](c2ccccc2)[C@@]13C 58566733 PTGKTZIUIJTALG-CIJNOWTPSA-N 328.408 3.249 30 1 EGEF CCOC(=O)[C@@H](C#N)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587506952 PDLPBWPPGUJNLY-OXQOHEQNSA-N 341.407 3.382 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc(OC)c1OC 587900469 POTHFPUNTHXDES-UHFFFAOYSA-N 346.766 3.464 30 1 EGEF Cc1cc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)no1 4111822 KUJDMXAGUPQFSX-UHFFFAOYSA-N 341.392 3.231 30 1 EGEF C=C1[C@H](OC(=O)CC(C)C)C[C@@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 15107397 RJNJFKDVPIFVPQ-UWZCCJDQSA-N 336.472 3.379 30 1 EGEF endogenous,in-man NS(=O)(=O)c1ccc(/N=C/c2ccc(C(F)(F)F)cc2)cc1 1663217 ONTYHUANBVXVSF-DJKKODMXSA-N 328.315 3.103 30 1 EGEF C=CCOc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl 103181497 DDNGFFXVCZUDNN-UHFFFAOYSA-N 333.697 3.095 30 1 EGEF CC1(C)CCC[C@]2(C)C1=CC(=O)[C@@](C)(O)[C@@]2(O)CCc1ccoc1 2356621788 QARMCHBZCFCHAP-VAMGGRTRSA-N 332.440 3.420 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2nc(C(=O)O)cn2c1C 587912024 CIDDSNPAEAVKJQ-UHFFFAOYSA-N 340.766 3.403 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc2n[nH]cc12 587911383 QYXFNTCAYDCPNC-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF COc1ccc(Cl)cc1C#Cc1csc(-c2n[nH]c(=N)o2)c1 587919217 VIVWOMICRQPEMF-UHFFFAOYSA-N 331.784 3.272 30 1 EGEF N#Cc1ccc(Nc2ccnc([C@@H](O)c3ccc(C#N)cc3)n2)cc1 1772635319 GOGUSIQMSMWUNN-SFHVURJKSA-N 327.347 3.045 30 1 EGEF CC1=C(CCCNC(=O)OC(C)(C)C)C(=O)c2c(O)cccc2C1=O 13861907 GTGQGZNFFIZUAJ-UHFFFAOYSA-N 345.395 3.393 30 1 EGEF COc1ccc(C(=O)/C=C/c2cc3cc(C)ccc3n3nnnc23)cc1 1857619771 GEWPUHKQUQBGHQ-UXBLZVDNSA-N 344.374 3.491 30 1 EGEF Nc1nc(N2CCOCC2)sc1C(=O)/C=C/c1ccc(Cl)cc1 1857648504 JFYWIQKQCANVLW-ZZXKWVIFSA-N 349.843 3.111 30 1 EGEF C#C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cccc(SC)c1 2356301603 WZUGEQTVBPESNO-YCPHGPKFSA-N 345.537 3.039 30 1 EGEF O=C(O)C(=O)Nc1ccc(C#Cc2cccc(C(F)(F)F)c2)cc1 1911585403 KJCWXIZZPNBYHI-UHFFFAOYSA-N 333.265 3.128 30 1 EGEF CC[C@@H](C)NC(=O)c1cnc(N2CCCC2)nc1-c1ccc(C#N)cc1 82158657 KYWRMJLCFZXLIN-CQSZACIVSA-N 349.438 3.144 30 1 EGEF C=CCC1=C[C@@]2(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(C)c(OC)c1)[C@H]2C 238745749 AVSXXIMSXZTQPO-FBRVAALWSA-N 340.419 3.393 30 1 EGEF O=S(=O)(N[C@H]1CCC[C@@H]1S)c1ccc(-c2ccccc2)cc1 96270011 XBPHJVRPJAQGKS-IRXDYDNUSA-N 333.478 3.483 30 1 EGEF O=C(C[n+]1ccn(Cc2cc3ccccc3o2)c1)c1ccc(O)cc1 96930241 HYCOLXFLXADJHW-UHFFFAOYSA-O 333.367 3.159 30 1 EGEF Fc1cnc(Br)c2nc(C=NOCc3ccccc3)[nH]c12 587189367 AGSXQQBMOCGUPA-UHFFFAOYSA-N 349.163 3.410 30 1 EGEF COCCOc1ncc(C#Cc2cc(Cl)ccc2OC)cc1C 587908767 BKJJPYWYZHCGTG-UHFFFAOYSA-N 331.799 3.477 30 1 EGEF COc1cc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)cc(OC)c1O 587784179 FCQNCASGOCNYQJ-UHFFFAOYSA-N 329.743 3.478 30 1 EGEF N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 587588726 LIGNAHJMNMTXMB-APWZRJJASA-N 332.315 3.295 30 1 EGEF COC1=CC(=O)c2ccccc2[C@]12NCCc1c2sc(C)c1C 963015952 XAUZXIGDCWKWEX-IBGZPJMESA-N 325.433 3.481 30 1 EGEF N#Cc1cccc(NC(=O)NCc2ccc(Cc3c[nH]cn3)cc2)c1 13439937 JHUQBPKAAWTMPI-UHFFFAOYSA-N 331.379 3.194 30 1 EGEF C[C@]12CC[C@H]3[C@@H](CC[C@H]4c5nonc5CC[C@]34C)[C@H]1C/C(=N/O)C2=O 17195126 KINBHFUHBUNAOF-VGJPKGNJSA-N 343.427 3.351 30 1 EGEF O=C1Nc2ccc(Cl)c(O)c2[C@@](C#CC2CC2)(C(F)(F)F)N1 6525013 XZORXPGCOYIQFL-ZDUSSCGKSA-N 330.693 3.352 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)[C@H]3C[C@H]3C(=C)C[C@H](OC(=O)c3ccoc3)[C@H]12 2356287405 IJLKKSIWRVXSAM-MDMSPXHWSA-N 340.375 3.445 30 1 EGEF CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccc(C)cc1 103176278 INQQLEKUCUYPMP-OMNSNBSWSA-N 340.423 3.369 30 1 EGEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C(=O)O[C@]2(C=CC=C(C)C)CO 2356443376 JYBJATPZXXGWRQ-JEIKXUOUSA-N 332.440 3.317 30 1 EGEF N#Cc1cncc(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)c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c1ccc(Cl)cc1C#Cc1cccc2c1O[C@H](C)C(=O)N2 587911577 WDWHHTMJGAQJLK-LLVKDONJSA-N 327.767 3.468 30 1 EGEF COc1cncc(N)c1-c1nc2cc(C(F)(F)F)c(C#N)cc2[nH]1 587252789 MSYZVRAFAIQKBQ-UHFFFAOYSA-N 333.273 3.106 30 1 EGEF O=C1N[C@@H](C(=O)O)Cc2ccccc2CCCCCCC[C@@H]1CS 13760971 VJXGETICKRSWGC-IAGOWNOFSA-N 349.496 3.241 30 1 EGEF COc1ccc(C(=O)C2=Cc3cc(OC)c(OC)cc3CO2)c(O)c1 14638397 QPHPZUZXUDCPEI-UHFFFAOYSA-N 342.347 3.172 30 1 EGEF biogenic,in-vitro CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)C[C@]34O[C@]3(C[C@H]12)OC(=O)[C@H]4C 2356428250 CTNPFCZJXCPEDX-ACDUYDJRSA-N 348.439 3.369 30 1 EGEF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@@]45CC(=O)O[C@H]4O[C@@H](O5)C3=CC(=O)[C@@H]12 2356585771 BKJQOXVYESWIQG-UBCZEWDNSA-N 346.423 3.123 30 1 EGEF CCC(=O)C=CC=CC[C@@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)O 2356652437 CMOJNYRANQREGD-RBUKOAKNSA-N 348.439 3.113 30 1 EGEF C=C1CCC[C@@]2(C)CC[C@@]3(O)O[C@@]12[C@@H](O)[C@@]3(C)CCC(=O)C(C)C 238755114 AEGACTCEKVOUDB-CENDIDJXSA-N 336.472 3.357 30 1 EGEF C=C1C[C@@H](OC(=O)c2ccoc2)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)[C@H]2C[C@@H]12 525914823 IJLKKSIWRVXSAM-CGNSWOOWSA-N 340.375 3.445 30 1 EGEF biogenic C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)CC(C)=CCC/C(C)=C\[C@H](O)C[C@H]2C 299844419 GQTPRLWQZDUWKJ-LOYJMTKBSA-N 334.456 3.299 30 1 EGEF O=CC(C=O)c1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587262312 QPDSFEZHPVVBOE-UHFFFAOYSA-N 343.726 3.273 30 1 EGEF Cc1c(O)ccc2c1[C@@](CC#N)(C[C@@H](C)C(C)(C)C)N[C@H](C(=O)O)C2 963528918 UYKRJSHYGLHXJJ-UFAGZECESA-N 344.455 3.481 30 1 EGEF CCCCCCCCCCCCn1c(=O)[nH]c2c(=O)[nH]c(O)nc21 1552351 QONZYGZXCZVJSJ-UHFFFAOYSA-N 336.436 3.039 30 1 EGEF C=C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 2356300685 OOHPTNLYNSKWCG-NOLJZWGESA-N 338.373 3.332 30 1 EGEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2C(=CC=CC(C)(C)O)COC(=O)[C@@H]12 2356610623 QUYPCWFVLDGRDN-NHAYFPRASA-N 332.440 3.317 30 1 EGEF Cc1cccc(CNc2nc(C#N)nc3c2NCN3C2CCCC2)c1 40977110 CRYFHCINRCJIRP-UHFFFAOYSA-N 334.427 3.401 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H]3O[C@@]3(C)CC/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 238748762 DWNHGPRUSBRDRF-RHSDSARESA-N 346.423 3.250 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc(OC)c1O 587900821 VEEJCPOEKHMPJP-UHFFFAOYSA-N 332.739 3.161 30 1 EGEF CC(C)=CCOc1ccc([C@@H]2C(=O)N(O)C(=O)/C2=C\C(C)C)cc1 206112043 CIBYRBNESSOEJP-NIFLVVHWSA-N 329.396 3.456 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C 1857647922 XJRDNPCCVATLQC-CKMYQVIWSA-N 332.440 3.363 30 1 EGEF CC(C)C1=CC2=C(C(=O)C1=O)[C@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O 102967526 MWAYCDXOVYWQPR-YRVVQQKDSA-N 328.408 3.159 30 1 EGEF O=C1Nc2ccc(F)cc2/C1=N/NC(=S)Nc1ccc(Cl)cc1 28651425 NWINZBFZOUPVGL-UHFFFAOYSA-N 348.790 3.122 30 1 EGEF CCCCCC1=C(N2CC2)C(=O)C(CCCCC)=C(N2CC2)C1=O 100836279 VRABHVQOLVLQLD-UHFFFAOYSA-N 330.472 3.438 30 1 EGEF C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CC[C@H](O)[C@]4(C)[C@H]2CC[C@H]1C3 2356521370 UWEUEOYKRAUFAO-POPRDNRNSA-N 332.440 3.190 30 1 EGEF CN1CCC[C@H]1CC/N=C(\S)Nc1ccc(Br)cn1 27092625 AOJDCVGKKKIUDF-NSHDSACASA-N 343.294 3.026 30 1 EGEF COc1cc(O)c(C(=O)C=Cc2cccc([N+](=O)[O-])c2)c(OC)c1 2356870913 RNJWVWDASBIOQQ-UHFFFAOYSA-N 329.308 3.214 30 1 EGEF CCCCCCCCCCCCc1cc([C@@H](O)[C@@H](N)CO)on1 36079870 ZXCAOFSTUDEPKZ-WMZOPIPTSA-N 326.481 3.491 30 1 EGEF COC1=C2C(C)(C)C(=O)C=C[C@@]2(C)c2c(cc(C)c(O)c2OC)C1=O 15148264 NFXOMXKBNLIRLC-FQEVSTJZSA-N 342.391 3.229 30 1 EGEF biogenic C=CCn1cc(C2=NS(=O)(=O)c3ccccc3N2)c2ccccc21 73295806 XNNSMARWHYZVSS-UHFFFAOYSA-N 337.404 3.388 30 1 EGEF COc1cc(C(=O)[C@H]2O[C@@H]2c2ccc(C)cc2)cc(OC)c1OC 45348465 JSVQDJOUODPUBC-IEBWSBKVSA-N 328.364 3.344 30 1 EGEF N#Cc1csc(NC(=O)c2ccc(COc3ccccc3)o2)n1 95755503 IJWIIYMERKKSDG-UHFFFAOYSA-N 325.349 3.439 30 1 EGEF C=CCc1ccc(OCc2cn(-c3ccc(OC)cc3)nn2)c(O)c1 299861511 IHXLPGWRYJUECL-UHFFFAOYSA-N 337.379 3.289 30 1 EGEF COC(=O)C(=O)c1cccc(C#Cc2cc(Cl)ccc2OC)c1 587904320 ILTYZQJLTFGRQS-UHFFFAOYSA-N 328.751 3.104 30 1 EGEF CCCCCCCCCCC(OP(=O)(O)O)OP(=O)(O)O 1857630132 BUIOPFCBMAFVPP-UHFFFAOYSA-N 348.269 3.062 30 1 EGEF COc1cc(/C=C/C(C)=O)ccc1OCc1cn(-c2ccccc2)nn1 1857770706 GGSCEAUHRGBVKL-CMDGGOBGSA-N 349.390 3.457 30 1 EGEF C=C1C(=O)O[C@H]2CC(C)=CCCC(=C)[C@H](O)CCC(CO)=CC[C@@H]12 2356428213 BNELYNVRKNPZHR-OTWHNJEPSA-N 332.440 3.221 30 1 EGEF N#Cc1cn([C@@H]2CCOC2)c2ccc(-c3cc(C(=O)O)ccn3)cc12 116761319 RRZMCCWXSQIWQH-OAHLLOKOSA-N 333.347 3.235 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CC=C[C@](C)(O)CC[C@@H]3O[C@]3(C)CC[C@H]12 2356664666 FTWOERARESUNOJ-NLPMXTIOSA-N 332.440 3.459 30 1 EGEF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@H]1CCOC1=O 28873843 IIQTYUHKBFMVCV-VOSWSFSHSA-N 336.472 3.072 30 1 EGEF C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=C[C@H](O)OC1=O 35464895 CKMAUJLOUQNVRZ-AFJOWOCMSA-N 348.439 3.432 30 1 EGEF biogenic,in-vitro COc1cc(C)ccc1OCc1nc2cc(Cl)nc(C#N)c2[nH]1 587564474 SOBOGMKWGYKJJG-UHFFFAOYSA-N 328.759 3.379 30 1 EGEF CC#Cc1c(C#CC)c(OC)c2c(c1OC)C(=O)c1ccccc1C2=O 5601280 QFISLFPXRHAADL-UHFFFAOYSA-N 344.366 3.222 30 1 EGEF C=C1C(=O)[C@]23CC[C@@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@@]1(O)C3 5810065 CAZYNLSCRWNLPJ-PBGGHTPGSA-N 346.467 3.422 30 1 EGEF CCCCOc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1C#N 1857748799 YVTMKWCLPYLVHV-UHFFFAOYSA-N 329.381 3.181 30 1 EGEF CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101270513 AXKPRXFZRFZHFB-VFSLUADLSA-N 339.479 3.273 30 1 EGEF Cn1c2cc(C#N)sc2c2cnn(Cc3ccc(F)cc3)c(=O)c21 36380671 WENXICOYHXGPFD-UHFFFAOYSA-N 338.367 3.009 30 3 EGEF C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)CC/C(C)=C/[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238753140 DRIVTODYQLWPNZ-BBFAFCHYSA-N 346.423 3.010 30 1 EGEF biogenic CN(C)CCO/N=C/[C@H]1CC[C@]2(O)C[C@@H](c3ccncc3)CC[C@]12C 13471885 ZTFAAOXQJBQKAW-BHBZXUJYSA-N 345.487 3.061 30 1 EGEF Cc1cc(-c2ccc(F)cc2)nn1Cc1ccc(C(=O)NO)cc1 1857642200 GPIZQXBFYQDCHM-UHFFFAOYSA-N 325.343 3.165 30 1 EGEF C=C1CC[C@@](C)(C=O)CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@@H]12 101572266 UDXXPMHZVKAWCF-IERAJXIUSA-N 332.440 3.365 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(C)[C@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356565289 VEHYPXYXFNEPJB-ARYPMIFLSA-N 348.439 3.089 30 1 EGEF C[C@@]12[C@@H]3CC[C@@H]4O[C@]4(C)[C@@]3(C)CC(=O)[C@@]13C(=O)O[C@H](c1ccoc1)[C@@H]32 2356751177 MXCWFIORGFVJPA-FINDXKNFSA-N 342.391 3.047 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C=O)c(O)c([N+](=O)[O-])c1 587903488 HDLDDIZVFRQUTO-UHFFFAOYSA-N 331.711 3.175 30 1 EGEF N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587586531 ISNSFTFPTFJBML-YLJYHZDGSA-N 344.326 3.362 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(C#N)c2)N1 587775687 UBDMKWHLTBVFPC-JDNHERCYSA-N 346.203 3.478 30 1 EGEF CC(C)C1=C[C@H]2C[C@]3(C#N)[C@@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O 169324236 LFUZWEFVOVESCP-RKPGQNQASA-N 329.440 3.228 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)[C@@H]3C[C@@H]3C(=C)C[C@H](OC(=O)c3ccoc3)[C@H]12 2356287406 IJLKKSIWRVXSAM-OBVSXPTNSA-N 340.375 3.445 30 1 EGEF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=CC1=CC(=O)O[C@@H]1O 2356617612 KJASBNIUXGTDRP-XBQLCILLSA-N 330.424 3.322 30 1 EGEF NC(N)=NC(=O)c1cc2c(-c3cccc(F)c3F)cccc2s1 28525534 KQJBQSFMOWUBMS-UHFFFAOYSA-N 331.347 3.260 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(F)cc1N 587914652 AULSRSOWSVVLNS-UHFFFAOYSA-N 333.746 3.256 30 1 EGEF COc1cc(C#N)c(OC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587936421 CSXNHGBPIFOKDC-UHFFFAOYSA-N 349.346 3.126 30 1 EGEF COc1cc([C@H]2C3=C(O)CCCC3=Nc3c(C#N)cnn32)ccc1O 103693041 MHUGTLGDGVYKNH-KRWDZBQOSA-N 336.351 3.140 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CCC(C)=C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356609528 DTOFRQNTRKNUMY-HRJHHYPFSA-N 346.423 3.250 30 1 EGEF Cc1cncn1CCC/N=C(/C[N+](=O)[O-])Nc1ccc(Cl)cc1 43200906 OVKWACFPXWSZFC-UHFFFAOYSA-N 335.795 3.022 30 1 EGEF CC1(C)Oc2c(c(O)cc(O)c2C(=O)/C=C/c2ccccc2)C[C@@H]1O 15216758 LDJZZJAEURDRFN-IJDCCNJMSA-N 340.375 3.068 30 1 EGEF C[C@@]12CCC=C(CO)CC[C@@H]3/C(=C\c4ccsc4)C(=O)O[C@@H]3[C@@H]1O2 1857555621 MKARJYPMOSGBAR-SIVMDPKMSA-N 346.448 3.323 30 1 EGEF Cc1cc(O)c(C(=O)/C=C/c2ccc(Br)s2)c(=O)o1 7743008 WFUKGGYKYBUUJK-DUXPYHPUSA-N 341.182 3.374 30 1 EGEF C=CCCN1[C@@H](Cc2ccccc2)COc2ccccc2S1(=O)=O 61924409 WRGHBLLQGREDKA-KRWDZBQOSA-N 343.448 3.257 30 3 EGEF N#Cc1cccc(-c2nc(Nc3ccncc3)sc2-n2cncn2)c1 28524708 JTSBHZQGKKYLJJ-UHFFFAOYSA-N 345.391 3.401 30 1 EGEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)/C(C)=C\C/C=C(/C)CC[C@H]2O 238786543 OASCGMGKXPPAEW-CBLXBEDOSA-N 334.456 3.443 30 1 EGEF CN1C(=O)[C@@H](CC(=O)NC2CCCCC2)SC1=Nc1ccccc1 252640221 YRMRLKJXSVNPGE-OAHLLOKOSA-N 345.468 3.087 30 3 EGEF COc1ccc(Cl)cc1C#Cc1cccc2[nH]nc(C(=O)O)c12 587911204 NOLHTLMRZLQROB-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF COc1ccc(Cl)cc1C#Cc1nn(C)c2nc(C)nc(Cl)c12 587913090 HBOOWGYYNZAZGC-UHFFFAOYSA-N 347.205 3.387 30 1 EGEF COc1cccc(CN2C=CC(=O)[C@H](Cc3ccc(F)cc3)C2=O)c1 957654745 BDMMPZMFXPNHGP-SFHVURJKSA-N 339.366 3.118 30 1 EGEF Cc1cc(O)c2c(O)c(O)c(O)c3c2c1C1=C(C3=O)C(C)(C)[C@@H](C)O1 100236467 HGVGAGVNFBEWSW-SSDOTTSWSA-N 342.347 3.323 30 1 EGEF in-vitro CCN(O)C(=O)[C@H](C)c1ccc2c(c1)C(=O)c1ccccc1CO2 26566371 LAPRGOHDURHJCE-GFCCVEGCSA-N 325.364 3.151 30 1 EGEF CCCCCCCCn1cc(CN2C(=O)c3ccccc3C2=O)nn1 43606390 AQYUSLGDWOEIIA-UHFFFAOYSA-N 340.427 3.435 30 1 EGEF C=C1CC/C=C(\C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@H]1O2 45358055 HNHDPFYELJZTEZ-CVWJOJEISA-N 332.440 3.459 30 1 EGEF C[C@@H]1CC(=O)[C@@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@]12C[C@H](c1ccoc1)OC2=O 238774394 UFHYOYGCHODDKI-CCLMZATDSA-N 344.407 3.437 30 1 EGEF C=C1[C@H]2CC[C@]3(O)[C@H]4C[C@H]5[C@@]6(C(=O)CC[C@@]5(C)CN(CC)[C@H]46)[C@H](C2)[C@H]13 238734869 MRFZNDSMJQCLFO-ABTBIQLHSA-N 341.495 3.029 30 1 EGEF CCN1C(=O)N[C@H](c2ccc(Br)cc2)C(C(C)=O)=C1C 8682090 NQHBRUQEWJTCKW-CQSZACIVSA-N 337.217 3.398 30 3 EGEF CC1=CCC[C@](C)(O)[C@H]2CC[C@@](C)(O2)[C@H]2C(=O)C(=C(C)[C@H]2O)CC1 2356528000 QRTUGLKKOAKYGZ-RISVGRPXSA-N 334.456 3.072 30 1 EGEF C=CCC1=C(O)C(=O)C2=C(C=C[C@@H]3[C@@](C)(CO)CCC[C@]23C)C1=O 85995649 JFLWGFZRWPOVRQ-XMCHAPAWSA-N 328.408 3.198 30 1 EGEF CCC(=O)O[C@H]1C(C)(C)[C@@H]2[C@H](OC(C)=O)C[C@@H](C)[C@@]23C=CC(=O)[C@@]13C 238768317 IPONPQPHYIXXDX-DPNBORGRSA-N 348.439 3.067 30 1 EGEF CCc1c(C)c(C#N)c2nc3ccc(Nc4ncccn4)cc3n2c1O 621431882 YPDHEUDZHGGSQV-UHFFFAOYSA-N 344.378 3.469 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)ccn1 587896855 ZQSZBHLICMZYAH-UHFFFAOYSA-N 337.181 3.238 30 1 EGEF N#Cc1cc(Br)c2[nH]c(-c3cccc(CN)c3)nc2c1 587245627 BPYSPDHBLQRONJ-UHFFFAOYSA-N 327.185 3.323 30 1 EGEF C[C@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175486 ZESWCGBNTXVTLC-LJQANCHMSA-N 346.321 3.074 30 1 EGEF COC(=O)c1cc(F)c(N)c(C#Cc2cc(Cl)ccc2OC)c1 587915832 WZQBSJKUBGASJP-UHFFFAOYSA-N 333.746 3.256 30 1 EGEF C=CCN1C(=O)S[C@@H](Cc2nc3cc(C)c(Cl)cc3[nH]2)C1=O 587037993 BQLLPXHLHUYLMW-LBPRGKRZSA-N 335.816 3.317 30 1 EGEF CN1CCN(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 13111243 PDNZQQNYZWNULD-WQRHYEAKSA-N 348.790 3.090 30 1 EGEF COc1ccc(OC)c(C(=O)/C=C/c2nc(O)c3ccccc3n2)c1 1857577451 XFVTYRJIEPULDC-CSKARUKUSA-N 336.347 3.249 30 1 EGEF C[C@H](CS)C(=O)N(CC(=O)O)[C@H]1CCCC[C@@H]1c1ccccc1 28260263 MXVGENQUBZJOOE-BMFZPTHFSA-N 335.469 3.192 30 1 EGEF OC[C@@H](O)C#CC#CC=CCCCCCCC=CBr 2356478395 CLUHNURDRVTBII-INIZCTEOSA-N 325.246 3.152 30 1 EGEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C3=C(C)C=CC(=O)[C@@]3(C)CC[C@@H]21 2356537942 LYOAWHWPLHHFLL-NCJOTSGUSA-N 344.407 3.052 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)n(C)c2)N1 587754020 KGSSNWYSBFNNJB-XXFAHNHDSA-N 348.219 3.422 30 1 EGEF CCOC(=O)Cc1ccncc1C#Cc1cc(Cl)ccc1OC 587909980 GCMMKIORPHLDMJ-UHFFFAOYSA-N 329.783 3.249 30 1 EGEF CCCNc1nc(C)c([C@@]2(C)NCCc3c(C)ccnc32)cc1C#N 963072666 MUHSYGRMWMRHFJ-HXUWFJFHSA-N 335.455 3.196 30 1 EGEF C[C@]12CC[C@H]3[C@@H]([C@H](N4CC4)CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O 1857622804 TVLJGVSJCIAMRD-LZZNHIFKSA-N 329.484 3.173 30 1 EGEF O=C1C=CC=C/C1=C\NC1=NN(c2cccc(C(F)(F)F)c2)CC1 100486152 FGSJKRYQDZEBDQ-VAWYXSNFSA-N 333.313 3.398 30 3 EGEF CC1(C)[C@@H]2C/C(=N\O)[C@](C)(/[N+]([O-])=C/c3cccc([N+](=O)[O-])c3)C[C@H]21 101645354 IAEAEBWWPMMKPU-KWUXJOTFSA-N 331.372 3.179 30 3 EGEF CCCCCCC[C@H](O)C=C[C@H](O)CC[C@@H](O)CCCC(=O)O 2356490354 FITAKYVPWCVTII-ULQDDVLXSA-N 330.465 3.021 30 1 EGEF C[C@@H]1C2=C[C@H](O)[C@H](C)[C@@]1(C)CC[C@]1(C)O[C@@H]1CC[C@]1(C)O[C@H]1C2=O 2356794722 ICBRNEMEWKWIBL-PILMBMHGSA-N 334.456 3.024 30 1 EGEF Oc1ncn(C[C@]2(c3ccc(F)cc3)O[C@H]2c2ccccc2Cl)n1 2356875616 ZSDOCYUTMYKRND-DOTOQJQBSA-N 345.761 3.443 30 1 EGEF O=[N+]([O-])c1ccc2[nH]c(O)c(N=N/C(S)=N/C[C@@H]3CCCO3)c2c1 253947098 MMQIWRZEEWTZDF-VIFPVBQESA-N 349.372 3.330 30 1 EGEF COCCOc1ccc(C#Cc2cc(Cl)ccc2OC)cc1O 587902078 IQRGXNRPEBRMAE-UHFFFAOYSA-N 332.783 3.479 30 1 EGEF COC1=CC(=O)c2cc3c(cc2C1=O)C(=O)c1occ2c1[C@@]3(C)CCC2 13603677 RGVWNPNSTILHHK-NRFANRHFSA-N 348.354 3.376 30 1 EGEF biogenic C#CCN(CC#C)C1CN(C2c3ccccc3CCc3ccccc32)C1 19359020 VKPWFEVHJATSFP-UHFFFAOYSA-N 340.470 3.127 30 1 EGEF C[C@H]1CC(=O)C2=C(C1)OC(=N)[C@@H](C#N)[C@@H]2c1coc2ccccc2c1=O 169692311 RGZWRANOIUQTKM-QAGHZCBJSA-N 348.358 3.277 30 1 EGEF COc1ccc2cc(/C=N\S(=O)(=O)c3ccc(C)cc3)n(C)c2c1 102849279 CLWACLXHHXQFQL-UNOMPAQXSA-N 342.420 3.303 30 3 EGEF COc1cccc(/C=C/C(=O)/C=C/c2cccc(OC)c2O)c1O 66252141 JZFYKBRMQRZKDK-WGDLNXRISA-N 326.348 3.411 30 1 EGEF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](O)C(C)=CCCC(C)=CC[C@@H]2O 2356498403 VQNZCESYUXUBIE-DMUMMCEESA-N 334.456 3.443 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(CO)C[C@H](OC(=O)[C@H](C)CC)[C@H]12 2356542277 WLTUYPUQSWVETP-NKGKWGDASA-N 348.439 3.091 30 1 EGEF CCCCCCCN1CCC(=O)N([C@H](CO)c2ccccc2)CC1 38146632 CKKLZEFQXNNZED-LJQANCHMSA-N 332.488 3.225 30 3 EGEF Cc1cccc(/C(=N\NC(N)=S)c2cccc(Br)c2)c1 45368030 UUHYYCURIRMTND-NBVRZTHBSA-N 348.269 3.343 30 1 EGEF in-vivo COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2C2CCCCC2)cc1 38853813 VDMUUPCXLAKUJY-QGZVFWFLSA-N 329.396 3.392 30 1 EGEF COc1cc(N/C(=N/C2CCCC2)NC#N)cc(C(F)(F)F)c1 13580110 ZMKALCJUVZTECP-UHFFFAOYSA-N 326.322 3.495 30 1 EGEF CCN1C=C[C@@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@@H]21 101979223 RQWFHOCWLIUNTF-CJNGLKHVSA-N 341.407 3.225 30 1 EGEF C[C@H]1CN(/C(S)=N/N[C@@H](C)c2nccc3ccccc23)C[C@@H](C)O1 27983493 BLJOMYNVSNUVKA-MJBXVCDLSA-N 344.484 3.195 30 1 EGEF C#CCn1c(O)c(/N=N/C(=O)[C@@H](O)c2ccccc2)c2ccccc21 101492470 QUNPSFIWEMCYCC-UAFUQJIBSA-N 333.347 3.324 30 1 EGEF NS(=O)(=O)c1ccc(/C=N/c2ccc(C(F)(F)F)cc2)cc1 29132091 LTKSOHROHPRZAS-DJKKODMXSA-N 328.315 3.103 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356767132 QFINJHBXXJQKPB-TVFCKZIOSA-N 346.423 3.010 30 1 EGEF CC(C)(C)[C@H](/C=C/c1ccccc1)n1cc(/C=C/C(=O)NO)nn1 72177235 VZFNPGQXAMLZHT-RKZRJXCSSA-N 326.400 3.097 30 1 EGEF Cc1ccc(C#Cc2nc3ncccc3nc2O[C@H](C)CN(C)C)cc1 72179023 ZKUDUFMFAOXFMC-MRXNPFEDSA-N 346.434 3.062 30 1 EGEF C=C1CC[C@@H]2[C@H]([C@@H]3C(COC(C)=O)=CO[C@H](OC(C)=O)[C@@H]13)C2(C)C 257568985 VNVDQMBBSOHHMO-CWQOZTLDSA-N 334.412 3.207 30 1 EGEF C[C@H]1[C@H]2CC=C3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32[C@H](O)N1C 255274467 VZECFJJIDYGXAI-OCQKHSOASA-N 339.479 3.463 30 1 EGEF CCCc1c(O)ccc2c1O[C@](C=O)(c1ccc(O)cc1)CC2=O 587484106 RRJKOGYSRSXDFZ-LJQANCHMSA-N 326.348 3.110 30 1 EGEF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(C#N)ccc21 587487579 WLFVZOCXQHOONC-FQEVSTJZSA-N 348.358 3.029 30 1 EGEF O=C(Nc1nccc(N/N=C/c2ccc(F)cc2)n1)NC1CCCC1 1772650798 FUKDMGZRTNGFCI-RGVLZGJSSA-N 342.378 3.126 30 1 EGEF CC[C@H](C)/N=C(\O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)CC 4730739 JOISEXVSZYMCRK-YCPHGPKFSA-N 340.489 3.443 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H]3C=C(CO3)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356287495 KQMSJUFMXUJRPL-BSDSXHPESA-N 344.407 3.028 30 1 EGEF O=C(C=CC(=O)c1ccccc1)OC[C@@H]1CCCN2CCCC[C@@H]12 2356552942 IIAHFBKBTSDKEN-ROUUACIJSA-N 327.424 3.233 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 238740151 QFINJHBXXJQKPB-ACZMYXILSA-N 346.423 3.010 30 1 EGEF C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](C(=O)CO)CC[C@@H]12 255270585 TZGCPIWXEWYCLJ-ZOCXKQACSA-N 328.452 3.472 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ncn(C)c1Br 587911762 QGYZIGWURIMEMS-UHFFFAOYSA-N 325.593 3.244 30 1 EGEF C#CCOc1cc(C)ccc1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963015366 AUHXGBGOHVUGPU-OYHNWAKOSA-N 346.430 3.150 30 1 EGEF O=C1C=CC(=C2NN=C(Nc3ccc(O)cc3)c3ccccc32)C=C1 13125742 QHUXXUHRYCIOJD-UHFFFAOYSA-N 329.359 3.175 30 3 EGEF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](O)CO 13540501 ZCFUAGVJMSGCHS-UJPCIWJBSA-N 332.484 3.488 30 1 EGEF in-vitro N#CCN(Cc1ccccc1)C(=O)[C@@H](N)C12CC3CC(CC(C3)C1)C2 14948876 DWTOEAXPNJPPOA-VJJCQHNBSA-N 337.467 3.082 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12 100780433 QFINJHBXXJQKPB-FQOQSWSDSA-N 346.423 3.010 30 1 EGEF endogenous,in-man CN(C)/C(=N\C#N)C1=CC(C)(C)Oc2ccc(Br)cc21 26155121 ZCTGHORJLGHCQJ-JXAWBTAJSA-N 334.217 3.445 30 1 EGEF COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@@H]1C 29566618 LBXOJPHXVYLGAL-LKFCYVNXSA-N 338.201 3.143 30 1 EGEF N#Cc1c(O)nsc1Nc1cc(C(=O)O)cc(C(F)(F)F)c1 28707468 PEUGFIKBDOMCBI-UHFFFAOYSA-N 329.259 3.181 30 1 EGEF C=C1[C@H]2CC[C@]3(O)[C@]4(C)CCC[C@](C)(C(=O)OC)[C@H]4CC[C@@]3(C2)[C@@H]1O 2356686629 NEQNPJRJYTVQSB-JSUYNQPISA-N 348.483 3.214 30 1 EGEF C=C[C@H](O)C#CC#CC[C@H](O)[C@H](O)[C@H](C)[C@H](C)[C@H](C)[C@@H](C)[C@@H](C)CC 2356696444 ZCKMUKZQXWHXOF-SVMKMBGISA-N 348.527 3.243 30 1 EGEF CCC(C)(C)N/C(=N\O)c1ccc(C)nc1OCc1ccccn1 72180531 ABTLBDCRVZLMCX-UHFFFAOYSA-N 328.416 3.278 30 1 EGEF NC(N)=NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49113958 MSMYMLGXTCCCDG-LLVKDONJSA-N 328.243 3.457 30 1 EGEF CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(C#N)c2)c1 96175687 UEWJNCQNAKADLG-UHFFFAOYSA-N 344.378 3.154 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(Br)c(N)c1 587910518 FPIXQSVCTDAPMV-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF C[C@]1(CO)CCC[C@@]2(C)c3cc4c(cc3C(=O)C[C@H]12)C(=O)C=CC4=O 2356441372 PCQUPBXXGWSGMS-NJYVYQBISA-N 338.403 3.265 30 1 EGEF COc1ccc(OC)c(C=CC(=O)c2cc(OC)c(O)c(OC)c2)c1 2356321702 LSFVPVUVPZXWOA-UHFFFAOYSA-N 344.363 3.323 30 1 EGEF CCOC(=O)C(=O)/C=C/C(SCc1ccccc1)=C(\O)OCC 100661384 JWBKZDYKYDPKBM-YIIPHKSBSA-N 336.409 3.372 30 1 EGEF C=C[C@]1(C)CC[C@H]([C@]23O[C@@H]2C[C@H](C(C)(C)O)O[C@H]3O)C[C@@H]1C(=C)C 2356796688 NLAGCUOEVCOYBD-RAXJPPKFSA-N 336.472 3.187 30 1 EGEF Cc1ccc(-c2c(C#N)c(N)n(-c3ccccc3C)c(=O)c2C#N)cc1 61944464 SHYQXSJAYMEIPR-UHFFFAOYSA-N 340.386 3.447 30 3 EGEF C=C1C/C=C\[C@@](C)(O)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 137309729 BLNSXPSESOVHJK-UWQZEHDFSA-N 332.440 3.076 30 1 EGEF Cn1c2c(c3ccccc31)/C(=N/OCc1ccccc1)CCNC2=O 84690008 FTZDQAXYQOFPPR-CJLVFECKSA-N 333.391 3.233 30 1 EGEF C=C1C[C@]23CC(=O)[C@@H]4[C@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@H]15 238753038 VSYXNSKUYBOAQW-SISOMPIRSA-N 339.479 3.395 30 1 EGEF C=CC(C)(C)c1ccc(C2=C(CC(C)C)C(=O)N(O)C2=O)cc1O 238788461 RVMGSWNUEGVDOF-UHFFFAOYSA-N 329.396 3.414 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C(F)(F)F)n[nH]c1C(=O)O 587914344 BJSQKCCBQWUEEM-UHFFFAOYSA-N 344.676 3.189 30 1 EGEF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccn1 587882064 KDDWPHWSXJGHBE-UHFFFAOYSA-N 333.218 3.407 30 1 EGEF CC[C@@H](O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 13834565 DKJBMDONLLGPRA-MRXNPFEDSA-N 349.438 3.142 30 1 EGEF COc1cc2c(cc1OC)C(=O)/C(=C/[C@H]1C[N@]1Cc1ccccc1)C2 1857628737 UQDADZYITBDQEY-CCWFBCEGSA-N 335.403 3.253 30 1 EGEF O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2cccnn2)cc1 103251620 BHXISYYBPBULKV-GUDVDZBRSA-N 331.375 3.146 30 1 EGEF CC(C)SC[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 28101902 RRTXCSSUJVWXCR-AWEZNQCLSA-N 346.374 3.408 30 1 EGEF CC(C)CN(CCOCc1ccccc1)C(=O)N[C@H](C=O)C(C)C 28572613 LJCIBXUKQBXSEZ-GOSISDBHSA-N 334.460 3.094 30 1 EGEF C=C[C@]1(C)C=C2C(=O)c3c(NC=O)cccc3C(C)(C)[C@@H]2C[C@@H]1O 2356490876 YNEOQMQDVSEXCP-PTSWNOGYSA-N 325.408 3.228 30 1 EGEF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356549174 UFSKYLAIGDMNQE-HXOHHMPKSA-N 344.451 3.197 30 1 EGEF CCCC(=O)O[C@@H]1CCC2=CC(=O)C([C@H](C)C(=O)O)=C[C@@]2(C)[C@@H]1C 2356729259 RHAVGGANRGGENU-DTHYQEAVSA-N 334.412 3.291 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(/C)C[C@@H]3C=C(CC[C@H]4O[C@@]4(C)CC[C@H]12)C(=O)O3 169292651 GKZBZZYALRNEFE-LKWFUSEBSA-N 344.407 3.004 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)C[C@H]12 169292846 HZAPTPBMBOIGCM-QSBMXENDSA-N 334.456 3.443 30 1 EGEF C/C1=C/C=C(\[C@@](C)(O)CO)C[C@@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1 169292896 NWBHMZVDIALTDH-LJWQIOCKSA-N 336.472 3.031 30 1 EGEF Cc1ccc(/C=N/OCCN2CCC[C@H](C(=O)O)C2)c2ccccc12 1857577748 NJWPPTYIFGOUSO-RSZPVBOMSA-N 340.423 3.295 30 1 EGEF COc1ccc(S(=O)(=O)O/N=C2/CCCc3ccccc32)cc1 8580372 MNNUHJVFCRWHII-ZCXUNETKSA-N 331.393 3.141 30 1 EGEF COC(=O)[C@@H]1C(=O)C=C(NCCc2ccccc2)C[C@H]1c1ccccc1 101632576 DNBYHSZIGXMJJJ-FPOVZHCZSA-N 349.430 3.248 30 1 EGEF CC(C)[C@@H]1CC(=O)C2=CC3=C(CO)C(=O)C(O)=C[C@]3(C)CC[C@]21C 2356580640 ZMQGQTKRCUHYLP-MRFFXTKBSA-N 330.424 3.278 30 1 EGEF C[C@@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45CC4(CC[C@]35C)OCCO4)[C@@H]1CCC2=O 2356729658 YXFMREIBQXTTRD-YTKYODNDSA-N 346.467 3.473 30 1 EGEF N#CCCOC[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl 39027476 KPPBDKJNTNUFHY-NSHDSACASA-N 325.199 3.299 30 1 EGEF C[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1 40846292 ARIVJJXBYQCJFK-GOSISDBHSA-N 330.405 3.406 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(O[C@@H](C)C(N)=O)c1 587905480 WRKGZMCPOZNIAD-LBPRGKRZSA-N 329.783 3.001 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C=O)cc2c1OCCO2 587911389 RELSKHYTGUNYHJ-UHFFFAOYSA-N 328.751 3.332 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2nc(CO)n(C)c2c1 587907734 SYNBXAHWQRRSJI-UHFFFAOYSA-N 326.783 3.127 30 1 EGEF C#C[C@]1(C(OCC)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587523141 NRKWUKPZAXIFFN-HXUWFJFHSA-N 328.408 3.302 30 1 EGEF CC#CCOc1ccc(S[C@H](C(=O)NO)c2ccccc2)cc1 13585964 CDIBBFPULKXHGN-KRWDZBQOSA-N 327.405 3.428 30 1 EGEF C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=CC1=C[C@H](O)OC1=O 2356382474 BRFJVBBXHPOREF-GXAQHZSOSA-N 332.440 3.114 30 1 EGEF N#Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 36160955 DVNOSJQRKOSAQS-UHFFFAOYSA-N 330.326 3.051 30 1 EGEF C[C@H](O)[C@@H]1C[C@H](O)[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257507418 OVQSVMZESAVYPN-URZSHXBDSA-N 332.484 3.486 30 1 EGEF endogenous,in-man Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)c(C#N)c1F)O2 587383173 YNMMFVQUHNOKBN-QGZVFWFLSA-N 339.370 3.361 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2c(c1)NC(=O)C[C@@H](C)N2 587910127 LDGZBQZJBBFCLS-LLVKDONJSA-N 341.798 3.286 30 1 EGEF COc1cccc2c1N(CC#N)C=C[C@@]21NCCc2ccc(F)c(C)c21 962147316 ORIIXHMFDOMXKE-OAQYLSRUSA-N 349.409 3.389 30 1 EGEF COC(=O)[C@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@@H]2CC=C(C)C 103237216 LUIKELAQLPRGNL-YWZLYKJASA-N 344.407 3.424 30 1 EGEF Nc1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 28459637 MDEDFBLSTPIPQT-UHFFFAOYSA-N 345.207 3.269 30 1 EGEF C=C1CC[C@H]2CCC3=C([C@H](C[C@]4(C)O[C@H]4[C@H](O)C1)OC3=O)C2(C)C 2356543471 SMGIARQMSXVWAY-XJFXBBFESA-N 332.440 3.293 30 1 EGEF CN(C)c1ccc(C#Cc2ncnc(N)c2-c2ccc(Cl)cc2)cn1 28646569 FUZXTPRZAKOGLL-UHFFFAOYSA-N 349.825 3.240 30 1 EGEF CC(C)[C@@H]1CC(=O)C2=CC3=C(CO)C(=O)C(O)=C[C@@]3(C)CC[C@@]21C 2356580639 ZMQGQTKRCUHYLP-CJMONDIMSA-N 330.424 3.278 30 1 EGEF C=CCC1=CC2=C(OC)[C@@H](C1=O)[C@@]2(C)[C@@H](O)c1ccc2c(c1)OCO2 2356608397 NOXNHMNKQIHADP-UXPWSPDFSA-N 340.375 3.071 30 1 EGEF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@@H](C#N)C(=O)N2 31829659 PXJJMZRPGBMTIG-ICQHIFQISA-N 326.440 3.137 30 1 EGEF CC1(C)NC(=N)NC(=N)N1c1cccc(C(=O)/C=C/c2ccccc2)c1 653721402 LMZDWBMBYZOYDX-VAWYXSNFSA-N 347.422 3.188 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ncccc1F 587894214 VLNAZMYCBYGFLY-UHFFFAOYSA-N 337.181 3.238 30 1 EGEF C#C[C@@H]1CCC[C@@]2(C1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962671245 SEFOJKHYIKIJNS-UJUVCNOISA-N 348.446 3.352 30 1 EGEF CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@@]23C 8681294 XQOSNJUURCKQGN-YUWQITEISA-N 344.451 3.197 30 1 EGEF COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@H]1C 29571224 CTZZWWNXWHPDSK-OTYXRUKQSA-N 327.302 3.399 30 1 EGEF O=C(/C=C/c1ccc2cc(C(=O)c3ccc(F)cc3)ccc2n1)NO 1911575239 FTARVFRDYHZMTC-CSKARUKUSA-N 336.322 3.124 30 1 EGEF CCCCCCCCCSCC(P(=O)(O)O)P(=O)(O)O 95584092 AQJPNYGQYMXWQP-UHFFFAOYSA-N 348.338 3.152 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2c(O)nc(C)nc2c1 587910123 KXLJTNMGDOROCL-UHFFFAOYSA-N 325.755 3.101 30 1 EGEF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4O[C@H](CC#N)C[C@@H]41)[C@@H](C2)C3=O 587429572 PWHODJAKRLZZDA-PURSZRAKSA-N 339.391 3.053 30 1 EGEF CN1N=C(c2ccc(/N=C/c3cccc(Cl)c3)cc2)OCC1=O 1772582548 STRGKZZBQRUMEK-VXLYETTFSA-N 327.771 3.241 30 1 EGEF COc1cc2c(c(O)c1C/C=C(\C)CC(=O)C=C(C)C)C(=O)OC2 15120524 BFNRWRVOUBCLCW-LFYBBSHMSA-N 330.380 3.485 30 1 EGEF biogenic,in-vitro C=C(C)[C@@H](O)Cc1c(O)ccc2c1O[C@@H]1c3ccc(O)cc3OC[C@H]21 59729380 LRCYZCCKRIVTHN-OXFYSEKESA-N 340.375 3.187 30 1 EGEF endogenous,in-man CC(C)=CCC[C@H](C)[C@H]1[C@@H]2COC(=O)C2=CC[C@@H]2O[C@@]2(C)C[C@H]1O 2356427311 VWLSFZIMFNLSBI-RYHQJWHJSA-N 334.456 3.397 30 1 EGEF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@@]45CC(=O)O[C@H]4O[C@@H](O5)C3=CC(=O)[C@H]12 2356585769 BKJQOXVYESWIQG-GRQVBVKHSA-N 346.423 3.123 30 1 EGEF C[C@@H]1Cc2ccccc2C[N@@+]1(C)CC(=O)c1cccc([N+](=O)[O-])c1 253589649 KJPXXDPGGYIUGW-SZNDQCEHSA-N 325.388 3.369 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ncc(Br)cc1N 587910471 CIQRDYXQPAMCKN-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([C@H](N)CC(=O)O)cc1 587905955 OAWWHWQSDSLYJM-MRXNPFEDSA-N 329.783 3.223 30 1 EGEF COc1ccccc1N1CCN(CC/C(=N\O)c2ccccc2)CC1 13861702 ATWJQYZJOYHFBK-DYTRJAOYSA-N 339.439 3.086 30 1 EGEF COc1ccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)c(OC)c1 169706234 MFXNVBBMYNRAOZ-OAHLLOKOSA-N 337.419 3.171 30 1 EGEF CC(C)C1=C[C@H](O)[C@](C)(O)CCC=C(CO)CC[C@H]2O[C@]2(C)CC1 2356400576 CTMXVBYCUXIQDP-MTQWCTHYSA-N 338.488 3.111 30 1 EGEF CC(C)CNC(=O)[C@@]1(C)CCCCCN1C(=O)c1cc(C#N)cs1 61904103 AGXWNWGWVTZXGN-GOSISDBHSA-N 347.484 3.167 30 3 EGEF C=C(C)[C@H]1Oc2c(cc(C(C)=O)c(O)c2OC)[C@@H]1OC(=O)C(C)=CC 2356597238 AEOPRIJRFYKAQT-CVEARBPZSA-N 346.379 3.491 30 1 EGEF C=C1CC[C@@H]2O[C@]2(C)CC[C@H]2C(=CC=CC(C)(C)O)COC(=O)[C@H]12 2356610622 QUYPCWFVLDGRDN-MIALQEHNSA-N 332.440 3.317 30 1 EGEF CC[C@H](O)C=CC=CCC=C[C@H]1[C@@H]2O[C@@H]2C[C@H]1[C@@H]1CCCC(=O)O1 2356744353 YFHYWHWBWQBXAP-OIHMHFBDSA-N 332.440 3.315 30 1 EGEF CCc1cn(CS(C)(=O)=O)c(CC)c1Oc1ccc(C#N)cc1 49037062 YQFZEOZFSBDTGO-UHFFFAOYSA-N 332.425 3.279 30 1 EGEF CC(C)(O)c1ccc2c(c1)C(=O)C1=C3[C@](C)(CCC[C@@]32C)C(=O)O1 14496163 IQMDFQYVBMPOOW-UXHICEINSA-N 326.392 3.369 30 1 EGEF biogenic CC(C)[C@H](C(=O)N(C)c1ccc(C(=O)NO)cc1)c1ccccc1 1911575557 FRCKFKQSLOGBKT-KRWDZBQOSA-N 326.396 3.208 30 1 EGEF C[C@@H]1C(=O)C=C2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2C 238782826 BCVHIFLJKAWFDN-CBGOQIQESA-N 332.440 3.232 30 1 EGEF C[C@H]1CCCC/C1=N/N=C1/SCC(=O)N1C(=O)c1ccccc1 1857753642 KIODJQOJQCNNIM-FOXVINPPSA-N 329.425 3.324 30 1 EGEF O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccc(Cl)cc2/C1=N/O 101342037 TUNDHEWALVEIHI-GRMZDKMOSA-N 329.718 3.446 30 1 EGEF C=C[C@@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 22452391 UPKIMOKDUSECKU-HXUWFJFHSA-N 348.490 3.039 30 1 EGEF N=C(N)N/N=C/c1cccc(Cl)c1OCc1ccc(Cl)cc1 28888789 SGHOAGWVZISSEO-DNTJNYDQSA-N 337.210 3.389 30 1 EGEF C[C@@H]1C(=O)C=C2C(C)(C)CCC[C@]2(C)[C@]12CC[C@@](CO)(CCO)O2 2356770751 HDJHUJJVFNEQOO-DPZWOIPNSA-N 336.472 3.011 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC[C@]3(C)O[C@@H]3CCC(CO)=CC[C@@H]12 2356805685 VJTZEEQKGARIJX-XFKSJGNHSA-N 332.440 3.461 30 1 EGEF O/N=C(\NCc1ccncc1)c1ccc(Oc2cccc(F)c2)nc1 72182099 LRFRVTVDSZSCLR-UHFFFAOYSA-N 338.342 3.334 30 1 EGEF COc1cc(C(=O)/C=C/c2cccc(C=O)c2)cc(OC)c1OC 45350466 UNINHRFRERBEBP-BQYQJAHWSA-N 326.348 3.421 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)[C@H](C)CC)[C@H](O)[C@H]12 238740915 SKCXSNIQFDWWOF-GTPZSAOOSA-N 348.439 3.089 30 1 EGEF N#Cc1c(C2CCC2)[nH]c(SCc2cccc(F)c2F)nc1=O 147303782 TVRKFLDVRHJTON-UHFFFAOYSA-N 333.363 3.480 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 238748932 QFINJHBXXJQKPB-FMFOBKSNSA-N 346.423 3.010 30 1 EGEF biogenic C#CCCOC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587793525 NKQIWBKJNDUEBS-BONVTDFDSA-N 326.209 3.203 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc2c1OCO2 587910417 ZNIFETLEQCMZII-UHFFFAOYSA-N 330.723 3.175 30 1 EGEF CC(=O)C1=C(O)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H](C=C(C)C)N2C1=O 2356325279 NZIXIWLXGCTHNZ-HOTGVXAUSA-N 336.391 3.343 30 1 EGEF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O 103212235 RWOYCPJCYPMMAL-JXMROGBWSA-N 337.287 3.303 30 1 EGEF C=C(CCC=C1C[C@H](C=C(C)C)OC1=O)[C@H](O)CCC1=CC(=O)OC1 2356536706 QSKKGQVXKWAQQS-ZWKOTPCHSA-N 346.423 3.155 30 1 EGEF C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)/C(C)=C/C)/C=C(\C)CC[C@@H]1O 40864668 UPYSSTOWRYYTEG-GNCXSGPVSA-N 346.423 3.010 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@@](C)(O)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 238746402 QMKCRYHPZVAORM-NXPWRIFJSA-N 332.440 3.459 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C(=O)O)nc2cc(C)ccn12 587912759 XYFADDMKEWXYMW-UHFFFAOYSA-N 340.766 3.403 30 1 EGEF C=CCN1C(=O)S[C@H](Cc2nc3cc(Cl)cc(C)c3[nH]2)C1=O 587038469 IXMCVFOFVULUPQ-LLVKDONJSA-N 335.816 3.317 30 1 EGEF Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@H]1CC[C@@]3(C)O[C@H]3[C@H]21 15203159 GOAAZKVSWQLRQQ-HDDHGUNASA-N 325.408 3.361 30 1 EGEF COc1nn(C)c(=O)n1-c1cccc2ccc(C#CC(C)(C)C)cc12 58650913 XLOATFKILHMZGY-UHFFFAOYSA-N 335.407 3.130 30 1 EGEF in-vitro CN1c2ccccc2C(=O)N2CCc3c(n(CC#N)c4ccccc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c1ccc(Cl)cc1C#Cc1cc(C=O)c(O)c(OC)c1OC 587900483 QTUURMOMBCYYAG-UHFFFAOYSA-N 346.766 3.284 30 1 EGEF N#Cc1ccc2c(Cl)nnc(NCc3ccc4c(c3)OCO4)c2c1 13780936 CNCSHZYTZWUCAO-UHFFFAOYSA-N 338.754 3.496 30 1 EGEF CC[C@H](C)Oc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1C#N 1857748177 UVRFKQYKRDFMGX-VIFPVBQESA-N 329.381 3.179 30 1 EGEF N#CC(C#N)c1c(Cl)cnn(Cc2cccc3ccccc23)c1=O 73369525 AGEWCPHRCMCJMR-UHFFFAOYSA-N 334.766 3.229 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)[C@H](C)CC)[C@H](O)[C@@H]12 2356505870 SKCXSNIQFDWWOF-CUWKQTPXSA-N 348.439 3.089 30 1 EGEF COC[C@@H](C)N/C(=N\O)c1ccc(Oc2cc(C)cc(C)c2)nc1 72184803 QPPOLEBWKLDSOU-CQSZACIVSA-N 329.400 3.251 30 1 EGEF O=C(CC12C[C@@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)NO 95585986 IXLWJPCOAMGLEB-NLKGSNSHSA-N 330.384 3.328 30 1 EGEF CC1(C)C[C@H](C(=O)Nc2c(Cl)cccc2Cl)C(=O)[C@@H]2O[C@H]21 253637141 RNPZBNBGFWAMBA-WCDAPOTHSA-N 328.195 3.315 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(Br)c[nH]c1=N 587903124 KROCGTWLZPWMQR-UHFFFAOYSA-N 337.604 3.318 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)ccn2)N1 587772905 PQADSLLUOUTJDE-ABKXIKBNSA-N 346.203 3.478 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(c(C(=O)O)c1)OCC2 587907531 MXXJNPNGRXEEHF-UHFFFAOYSA-N 328.751 3.382 30 1 EGEF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 587938494 WMQDVZQAKUYMAI-XXFAHNHDSA-N 342.786 3.329 30 1 EGEF CN(C)/C=C1/C(=O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587513446 SMSWZMUZUATXSK-WNJRYGEDSA-N 325.408 3.078 30 1 EGEF C=CC[C@@]12CCCC(=O)[C@@]1(O)O[C@H](c1ccc3c(c1)OCO3)[C@H]2C 685935706 GHWAOEFITBMWCE-NVAWSTJUSA-N 330.380 3.127 30 1 EGEF biogenic,in-vitro N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccc(C(=O)O)cc1 200829286 ZDWUOOBGJQLXHE-UHFFFAOYSA-N 348.314 3.118 30 1 EGEF COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc1O 17211283 IYFJRILZYVZKHH-AATRIKPKSA-N 344.363 3.328 30 1 EGEF CO[C@@H]1C(C)=CCCC[C@@H]2O[C@]23CC(=O)O[C@H]3c2c(O)ccc(O)c21 2356283642 WDYPOBGJRVTRDW-NUDXDXSLSA-N 346.379 3.041 30 1 EGEF CC=C(CO)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@@H](C)[C@]13C 2356541245 HIPQZGAHMOISRN-ZMKBQUDASA-N 346.423 3.241 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(COC(=O)CC(C)C)[C@H](O)C[C@@H]12 2356653972 MYMQDSZSSGZQTM-RCCFBDPRSA-N 348.439 3.091 30 1 EGEF C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3C[C@H](O)[C@@]2(O)C1 238760360 QNZWJRGPVBBJNF-HBTXUPOTSA-N 336.472 3.372 30 1 EGEF CCCc1cc(=O)n2nc(CCc3ccc(Cl)cc3)c(C#N)c2[nH]1 473249360 VOAHTYPZTOBTPB-UHFFFAOYSA-N 340.814 3.285 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)O)c([N+](=O)[O-])c1 587903875 SLJMNYCPWBUYEB-UHFFFAOYSA-N 331.711 3.355 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c(N)cc1OC 587900344 ONRGNSIFEGUUTR-UHFFFAOYSA-N 331.755 3.037 30 1 EGEF COC(=O)c1ccc(N)c(C#Cc2cc(Cl)ccc2OC)c1C 587901352 ZSXHLVGKUKFCDS-UHFFFAOYSA-N 329.783 3.426 30 1 EGEF COc1cccc(/C=N/C[C@@H](C)/N=C/c2cccc(OC)c2O)c1O 5560077 VNNXSKFCDCTSTJ-ILMSPDFFSA-N 342.395 3.042 30 1 EGEF C=C1C(=O)O[C@@H]2[C@H](OC(=O)CC(C)C)C(C)=CCCC(C)=C[C@H](O)[C@@H]12 2356383999 HYVHAPROKWELKE-AITUJVMLSA-N 348.439 3.089 30 1 EGEF C=CCNc1ccc(N2C(=O)[C@H]3CC[C@H](C)C[C@H]3C2=O)cc1[N+](=O)[O-] 4684084 RPXVFSXKBAUKST-FPMFFAJLSA-N 343.383 3.118 30 1 EGEF C=C1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@]5(C)C(=O)O[C@@H]([C@@H](O)[C@@]3(C2)[C@@H]1F)[C@@H]54 2356709457 FIJZLOOHEQMRJW-KEWQTTDESA-N 334.431 3.410 30 1 EGEF C[C@@H](C=O)CNc1nccc(-c2nccc3c2[nH]c2ccccc23)n1 2356793343 KJCSZFIDTPORIE-GFCCVEGCSA-N 331.379 3.420 30 1 EGEF CC=C(C)C(=O)Oc1ccc(OC(=O)[C@]2(C)O[C@@H]2C)c([C@@H]2O[C@H]2C)c1 2356828704 IKALAAUPDYFZAW-REVCEQPZSA-N 346.379 3.101 30 1 EGEF C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@](O)(C/C(C)=C/[C@@H](O)C1)OC3=O 39350763 NAXRGDYBDAKNAZ-XBKCGROWSA-N 332.440 3.402 30 1 EGEF C=C1C(=O)O[C@H]2[C@H](OC(=O)C(C)C)[C@@]3(C)CCC[C@H](C)[C@@H](C[C@H]12)O3 238731101 KHDXGUSMYNJVGD-IXVYEQEWSA-N 336.428 3.020 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238767552 QFINJHBXXJQKPB-HWQJTFMOSA-N 346.423 3.010 30 1 EGEF endogenous,in-man CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 253697546 AXKPRXFZRFZHFB-GWOFKNCZSA-N 339.479 3.273 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)c(CO)nn2C 587909325 SSCYSOHVJCRKJO-UHFFFAOYSA-N 326.783 3.127 30 1 EGEF CCOc1cc(C#Cc2ccc(C[C@@H](C)NC(=O)C3CC3)cc2)ccn1 169706158 ODNGLONPMRSSKE-MRXNPFEDSA-N 348.446 3.337 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)[C@@H](OC(=O)[C@H](C)CC)C[C@@H]12 155804094 SQRYPCTWZQIPKH-HYGBMVELSA-N 348.439 3.089 30 1 EGEF biogenic C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(C)[C@H](OC(=O)[C@H](C)CC)C[C@@H]12 2356449785 YGMRPCQPDPKSBZ-PIIJUORLSA-N 348.439 3.330 30 1 EGEF C=C1CC[C@H]2[C@](C)(CC[C@H]3OC[C@@]23C)[C@H]1CC=C1C(=O)OC[C@H]1O 2356648712 NSMZHQPCABSPEV-VFPCOIFRSA-N 332.440 3.008 30 1 EGEF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@H]21)[C@]1(CO1)C3 2356825875 HURSLIFUDKOZCY-DSDQQHJXSA-N 348.439 3.174 30 1 EGEF COc1ccc2cc1Oc1ccc(cc1)[C@H]1O[C@@H]1COC(=O)CC2 26737783 KSQLEJQOXHLRAH-IEBWSBKVSA-N 326.348 3.417 30 1 EGEF N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2cncc(Cl)c2)n1 221830996 NRNWVICTVFVGBO-YGRLFVJLSA-N 344.806 3.029 30 1 EGEF CCc1c(C)c(C#N)c2nc3ccc(NC(=O)C4CC4)cc3n2c1O 621431407 CKDOEVBYOCOMCB-UHFFFAOYSA-N 334.379 3.284 30 1 EGEF C#CCOc1ccc(-c2nc3cc(S(=O)(=O)CC)ccc3[nH]2)cc1 587563075 CMMXHGWXEPIXEI-UHFFFAOYSA-N 340.404 3.036 30 1 EGEF C=C(C)C(=O)n1c(-c2ccc(S(=O)(=O)O)cc2)nc2ccccc21 66262093 IERGJWCDCYWXJC-UHFFFAOYSA-N 342.376 3.166 30 1 EGEF CCCCCCCc1ccc(C(=O)O[C@@H]2CC(=O)O[C@H]2CO)cc1 34799950 NCGVPHNVLGONPY-SJORKVTESA-N 334.412 3.033 30 1 EGEF COc1ccccc1-c1nc2ccc(/N=C(\O)c3cccnc3)cn2n1 74387195 RTFRSVNZMUPMIL-UHFFFAOYSA-N 345.362 3.436 30 1 EGEF CSc1ccccc1Oc1ncccc1/C(=N/O)N1CCOCC1 72102403 MHRCKCLVKJBAFO-MNDPQUGUSA-N 345.424 3.064 30 1 EGEF O=C(/C=C/c1cn(-c2ccccc2)c2ccccc12)CC(=O)C(=O)O 90623542 MSIBPRRTCHEHHX-ZHACJKMWSA-N 333.343 3.257 30 1 EGEF C=CCOc1nc([C@](C)(O)c2ccc(OC)cc2)c2ccccc2n1 299856789 CCSAUJZQXDFATL-HXUWFJFHSA-N 336.391 3.459 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cnc1NC(C)=O 587903769 YPIWRYPRZLNDRM-UHFFFAOYSA-N 345.742 3.010 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CN(C)CC(=O)O)cc1 587906245 WDNRRHLOTRXMAL-UHFFFAOYSA-N 343.810 3.265 30 1 EGEF COC(=O)c1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cn1 586901069 IQNULMQBPBNTMG-UHFFFAOYSA-N 343.342 3.404 30 1 EGEF N#Cc1nc(Cl)cc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587037765 YEBCASCUXBKBLB-LLVKDONJSA-N 330.800 3.401 30 1 EGEF C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]23O[C@H]2C=C[C@H](C)[C@]13C 15163644 GCSCOZFAGAICKH-VLKOAHQCSA-N 328.364 3.295 30 1 EGEF CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2cccs2)C1=O 82040245 QIORMEBHHKDMBY-UHFFFAOYSA-N 348.445 3.398 30 1 EGEF COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](OC)C3)cc2)cc1 96927977 QAVVOFASNQWWDE-NRFANRHFSA-N 349.430 3.346 30 1 EGEF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 587785101 LJJJCBWNCMDASW-HZPDHXFCSA-N 342.358 3.250 30 1 EGEF C=CCN1C(=O)S[C@H](Cc2nc3ccc(Cl)c(C)c3[nH]2)C1=O 587039607 TWHSMPYJGUJDGU-LLVKDONJSA-N 335.816 3.317 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C)cc2c(=O)oc(O)nc12 587911122 JNVXNGVHOTWSBN-UHFFFAOYSA-N 341.750 3.264 30 1 EGEF Cc1ccc(-c2c(C#N)c(N)n(-c3ccc(C)cc3)c(=O)c2C#N)cc1 343713 YUJRWSCKJBEFLY-UHFFFAOYSA-N 340.386 3.447 30 3 EGEF aggregator CCCCCC(=O)OCC#Cc1coc2cc(OC)ccc2c1=O 64746339 KVCNBVWLDITQQI-UHFFFAOYSA-N 328.364 3.277 30 1 EGEF C=C1CC(=O)C=C(C)CC[C@@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@@H]12 2356509499 RGTPNNMQGBLXOP-AEFFLSMTSA-N 330.424 3.285 30 1 EGEF CC1=CCC[C@](C)(O)[C@H]2C=C(C(C)C)[C@@H](O2)[C@H](O)[C@@]2(C)O[C@@H]2CC1 2356808382 YSTOWRLUHRESQI-MUJBESKKSA-N 336.472 3.126 30 1 EGEF CO[C@@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)C1 210756041 XDLWXDDVQIGMJO-OAHLLOKOSA-N 333.395 3.112 30 1 EGEF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@H](C)O[C@H](C)C4)[C@H]3C[C@H]12 82051453 CNUKCRQWTYDAEH-AQHJOQNTSA-N 347.499 3.410 30 1 EGEF COc1cc2c(c3c1CC[C@](C)(CC(=O)C=C(C)C)O3)COC2=O 40411100 VVVQVJCSSXMDGD-LJQANCHMSA-N 330.380 3.375 30 1 EGEF CN(C)CC#CCCC(=O)[C@@](O)(c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 299805103 VCZVZKXCDQXJCF-RJOZEALSSA-N 339.479 3.225 30 1 EGEF CCCc1cc(=O)n2nc(CNc3ccc(Cl)cc3)c(C#N)c2[nH]1 473249338 UXXOXYOMWNEXBJ-UHFFFAOYSA-N 341.802 3.112 30 1 EGEF COc1cc2c3c(c1)OC1(CC(C#N)(c4ccccc4)C1)[C@@H](C2)C3=O 587426805 BDGFUSPDFFZIFO-ATIQYGATSA-N 331.371 3.437 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(/C)C(=O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 169290907 FKDIIXZIKCNXAT-SLFMQDIPSA-N 344.407 3.218 30 1 EGEF biogenic C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(C)CCC=C(C)C[C@H](O)[C@H]12 2356440165 QDVFXUZZNWQOPD-MUPNANLLSA-N 332.440 3.459 30 1 EGEF C=C[C@]1(C)C[C@]2(OC[C@]3(C)O[C@@H]32)Oc2c1c(=O)oc1cccc(C)c21 13415296 AWNULKZWGIHZJH-YRPNKDGESA-N 340.375 3.212 30 1 EGEF biogenic CN(C)CCN1CCCCc2cc(/N=C(\N)c3cccs3)ccc21 84602077 QXFJJJSLQHBNAZ-UHFFFAOYSA-N 342.512 3.489 30 1 EGEF C/C(=C\Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O)CO 95556743 GDGQOBRQTUPPDO-TVFMRDARSA-N 340.375 3.181 30 1 EGEF C#Cc1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587888714 PNVGZNFBFNHFRH-UHFFFAOYSA-N 343.213 3.080 30 1 EGEF O=C1CO[C@@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1 3922461 STDUMDNEHXHPDZ-CQSZACIVSA-N 329.705 3.480 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356550951 OMDUJIAGTIZPFC-OWSLCNJRSA-N 346.423 3.010 30 1 EGEF C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@H](C)/C=C\CC(=O)OC 195354571 KJHMKRHEJWSQIB-RWQOHMLTSA-N 347.411 3.404 30 1 EGEF CC1(CC(=O)O[C@H](C#C[Si](C)(C)C)Cc2ccccc2)OCCO1 195494492 JYQMZGRHGJRPSR-QGZVFWFLSA-N 346.499 3.175 30 1 EGEF N#Cc1cccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)c1 263590681 HVOONLSPYDWQIU-BZZMCLGOSA-N 325.412 3.370 30 3 EGEF COC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c(F)c1O 587916527 OAEFQLGRAFBKKM-UHFFFAOYSA-N 334.730 3.380 30 1 EGEF CC(=O)[C@H]1CC[C@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@@H]2C1 169303823 CWLAYYXVQIWWAE-ZDEQEGDKSA-N 342.391 3.134 30 1 EGEF C[C@H]1C[C@@H](C)C(=O)C=CC=C[C@H](C)[C@@H](C)OC(=O)C=C[C@@H](C)[C@H]1O 2356419547 WDMWTIKQIXSBFK-VQDVGPPSSA-N 334.456 3.465 30 1 EGEF O=C1C[C@H](Oc2ccc(C(=O)C=Cc3ccc(Cl)cc3)cc2)N1 2356284239 TUNIILOZLLHTGV-SFHVURJKSA-N 327.767 3.461 30 1 EGEF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2C[C@H](O)[C@H](C)[C@@]13C 2356634207 BUXOFSAAHQSJNZ-GXEYGMIOSA-N 346.423 3.239 30 1 EGEF CC1=CCC[C@](C)(O)[C@H]2C=C(C(C)C)[C@@H](O2)[C@H](O)[C@@]2(C)O[C@H]2CC1 2356808384 YSTOWRLUHRESQI-XGXHKTLJSA-N 336.472 3.126 30 1 EGEF C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@]24O[C@H]4[C@@H]1CC3 238735530 MGWYZSPHHHJUJG-WQZAKUSASA-N 330.424 3.350 30 1 EGEF COc1ccc(C)cc1C(=O)CCc1nc2cc(C#N)c(C#N)cc2[nH]1 587785776 CHPDYICCBCIJHK-UHFFFAOYSA-N 344.374 3.439 30 1 EGEF C[C@@H](C#N)c1cccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 587188655 UKSDGIKYPFTCAM-NSHDSACASA-N 325.393 3.260 30 1 EGEF C[C@@]1(C(C#N)C#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341877 ZDVFENDHDVHWCH-HKUYNNGSSA-N 336.322 3.312 30 1 EGEF CCOC(=O)Cc1ccc2nc(COc3ccc(C#N)cc3)[nH]c2c1 587190205 JSPJKEGPIVNDAO-UHFFFAOYSA-N 335.363 3.119 30 1 EGEF CC[C@H](S)[C@@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962656664 BSKRMBZLWAFYTR-KFKAGJAMSA-N 344.480 3.257 30 1 EGEF C=CC[C@]12C=C(OC)C(=O)[C@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@@H]2C 169334789 KPAMAOKNEWVTGG-XZVYQEECSA-N 326.392 3.289 30 1 EGEF C/N=C/c1cn(C[C@H](O)COc2cccc3[nH]c4ccccc4c23)cn1 1857748843 PMTVCMUUDZWAJT-PZEXIZOFSA-N 348.406 3.006 30 1 EGEF C#CCSc1nc2sccc2c(=O)n1-c1ccc(OC)cc1 28949076 BRFJZGWYSJLMJF-UHFFFAOYSA-N 328.418 3.181 30 1 EGEF CCC(=O)C=CC=CC[C@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)O 2356652438 CMOJNYRANQREGD-RTBURBONSA-N 348.439 3.113 30 1 EGEF C[C@]12CCC(=O)[C@]3(C)C(=O)O[C@@H](C(=O)C=C1CCc1ccoc1)[C@]23C 2356679927 MPGNOYIYHJDRQQ-IJXRJRJASA-N 342.391 3.029 30 1 EGEF C/C=C1\C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 198354271 AGSIHXUUMSXXHC-YRKKFWJASA-N 332.484 3.486 30 1 EGEF N#CCc1cccc(C2=NCc3ccnc(OC4CCOCC4)c32)c1 96176037 BGLGVMSLZRQGAG-UHFFFAOYSA-N 333.391 3.056 30 1 EGEF CCc1c(C)c(C#N)c2nc3ccc(NCc4ncc[nH]4)cc3n2c1O 621431738 CMSZDZLEZHXFOQ-UHFFFAOYSA-N 346.394 3.271 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)nc2)N1 587770944 LBMPJTWKSUSQQT-FVMDXXJSSA-N 346.203 3.478 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2ncc(C(=O)O)cc2c1 587909948 DXSAAJAPBIEAQQ-UHFFFAOYSA-N 338.750 3.390 30 1 EGEF COc1cccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C#N)c1 587650594 OMCXVWLNARSGCN-UHFFFAOYSA-N 326.377 3.119 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(/C)CC/C=C(\C)[C@H]2O 169370695 IAWHPIHHKZYGDC-UKDYKYBJSA-N 332.440 3.221 30 1 EGEF COc1ccc(/C=C/C(=O)CC(=O)/C=C\c2ccc(O)cc2)cc1O 168236398 IOOHDWLSBIIPCT-DHPVUTNOSA-N 338.359 3.361 30 1 EGEF N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)c(C(=O)O)c1 28887062 MZPFQPSZQZAMAY-UHFFFAOYSA-N 333.303 3.164 30 1 EGEF C=C1CC[C@H](O)C(C)(C)[C@@H]1CCC[C@@]1(O)Oc2ccc(O)cc2C1=O 2356872469 YZAVAPOFLJHTST-OXFYSEKESA-N 346.423 3.180 30 1 EGEF C=C1CC[C@H](O)C(C)(C)[C@@H]1CCC[C@]1(O)Oc2ccc(O)cc2C1=O 2356872471 YZAVAPOFLJHTST-SYNHAJSKSA-N 346.423 3.180 30 1 EGEF COc1cccc(Oc2ccc(/C(=N/O)N3CCSCC3)cn2)c1 72185081 KGJXURPXSUNDTP-ZPHPHTNESA-N 345.424 3.067 30 1 EGEF CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1C#Cc1ccccc1Cl 40828911 CERLNDRLDQEXDA-IAGOWNOFSA-N 330.859 3.024 30 1 EGEF CCOC(=O)c1n[nH]c(-c2cccc(Cl)c2)c1C#CC(C)(C)O 84618848 RTAALZMLGMYSMQ-UHFFFAOYSA-N 332.787 3.029 30 1 EGEF CCOC(=O)Cc1ccc2[nH]c(C=NOCc3ccccc3)nc2c1 587189393 ASVUXVGUDRMNSA-UHFFFAOYSA-N 337.379 3.219 30 1 EGEF N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587586525 ISNSFTFPTFJBML-FXAWDEMLSA-N 344.326 3.362 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C(=O)O)nc2c(C)cccn12 587912409 NZISIFNQXLTGRL-UHFFFAOYSA-N 340.766 3.403 30 1 EGEF CC(=O)NC[C@H](C)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1 169706478 WCCXZRZOJZUVPX-HNNXBMFYSA-N 349.434 3.047 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H]3C=C(CC[C@@H]4O[C@@]4(C)CC[C@@H]12)C(=O)O3 2356354154 GKZBZZYALRNEFE-GHHWKCCRSA-N 344.407 3.004 30 1 EGEF N#Cc1cnn(C[C@H](O)c2ccccc2)c1NC(=O)Nc1ccccc1 28702103 UZZWRMRXHXBXPU-KRWDZBQOSA-N 347.378 3.132 30 1 EGEF N#Cc1ccc2nc(CO[C@@H]3CN(C4CCCCC4)C[C@H]3F)[nH]c2c1 2356302437 VLRVNSGZEHQTOX-CRAIPNDOSA-N 342.418 3.306 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@](C)(O)[C@@H](O)CCC(C)=CCCC(C)=CC[C@@H]12 2356446196 AQTDUFOIYAZLRP-DMUMMCEESA-N 334.456 3.443 30 1 EGEF CNC(=O)c1ccc(OC)c(C#Cc2cc(Cl)ccc2OC)c1 587900581 OTNBNGFZTHNFAD-UHFFFAOYSA-N 329.783 3.117 30 1 EGEF O=C1Nc2ccc(F)cc2[C@](C#Cc2ccccn2)(C(F)(F)F)N1 5940552 LETWGSIXDKIECS-OAHLLOKOSA-N 335.260 3.165 30 1 EGEF Cc1c[nH]c2c1[C@]13C[C@@H]1CN(C(=O)c1cc4ccccc4[nH]1)C3=CC2=O 100950768 XSIHIAJHMICCIT-LRTDBIEQSA-N 343.386 3.298 30 1 EGEF Cc1nc2c(c3c1C(=O)C(Nc1ccccc1)=CC3=O)C(=O)CCC2 101903436 JUNPTWPKSPDLFV-UHFFFAOYSA-N 332.359 3.284 30 1 EGEF C/C(=N\NC(=S)Nc1ncc(C2CCC2)o1)c1ccc(N)cc1 38248342 FCDYQKRXRJQIMC-KEBDBYFISA-N 329.429 3.235 30 1 EGEF CCc1c(C)[nH]c2c1/C(=N/OC(=O)NCCc1ccncc1)CCC2 40568590 SOXSYEZFRPMECO-HAVVHWLPSA-N 340.427 3.290 30 1 EGEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@H](O)C1=C[C@H](O)OC1=O 257536806 RWRUMHLQHKUMDS-QRXRQMIZSA-N 334.456 3.338 30 1 EGEF C=CCN(CC)C(=O)[C@@]1(c2ccccc2)[C@H](c2ccccc2)[C@H]1CN 261165266 RTMQOOCMZQWPBD-KCZVDYSFSA-N 334.463 3.331 30 1 EGEF CCCCCCCC(=O)NCCCc1nc2c(Cl)ncnc2[nH]1 587228094 ILEXKJRIXLXPOT-UHFFFAOYSA-N 337.855 3.416 30 1 EGEF CC(C)C1=CC2=C(C(=O)C1=O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O 5395843 MWAYCDXOVYWQPR-PJSUUKDQSA-N 328.408 3.159 30 1 EGEF CO/N=C/CCC(F)(F)c1ccc([C@H](C)[S@@](C)(=O)=NC#N)cn1 103199362 ZEFPWRSXVTWVRD-ZDTQSADGSA-N 344.387 3.226 30 1 EGEF COc1ccc(Cl)cc1C#Cc1[nH]nc2cc(C(=O)O)ccc12 587911997 BJGNTCIMCAIEHN-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(F)c(=O)c(Cl)cn1C 587917271 FCYNAINUFVVVAJ-UHFFFAOYSA-N 326.154 3.240 30 1 EGEF C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@]1(O)C3 17187357 CAZYNLSCRWNLPJ-XNRDYXSJSA-N 346.467 3.422 30 1 EGEF COc1cc2c(cc1OC)/C(=N/Cc1ccc3c(c1)OCO3)CC2 21029851 FLCOQVWFIDULNR-HMMYKYKNSA-N 325.364 3.368 30 1 EGEF C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)[C@H](C#N)C[C@@]5(C)[C@H]3CC[C@@]21C 28018127 JARKEVRMNQUONS-OLHXZVSFSA-N 343.467 3.230 30 1 EGEF COc1cc2c(cc1OC)-c1n[nH]c(C#Cc3ccc(C#N)cc3)c1C2 28954392 FLKCHEUCGSFQFD-UHFFFAOYSA-N 341.370 3.270 30 1 EGEF CC1=C(OC2(C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O 66065908 DXQUZSASIDQOJP-UHFFFAOYSA-N 346.338 3.194 30 1 EGEF C=CC[C@@]1([C@H](C)Cc2ccc(O)c(OC)c2)C=C2OCOC2=CC1=O 13311455 UXNVRYGLQIBWDQ-XCLFUZPHSA-N 342.391 3.497 30 1 EGEF biogenic Cc1noc(C)c1-c1cccc(NC(=O)CCCCCC(=O)NO)c1 653889453 AYZFKKHGXUUTCY-UHFFFAOYSA-N 345.399 3.353 30 1 EGEF C[C@@H]1C[C@@H](c2ccc(C#N)c3ncccc23)CN(C[C@H]2CCN(C)C2)C1 1857773637 FDVMJVKEBUYLKY-ZIFCJYIRSA-N 348.494 3.484 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCCC(C)=CCC[C@](C)(O)[C@@H](O)C[C@@H]12 2356447870 HZAPTPBMBOIGCM-DMUMMCEESA-N 334.456 3.443 30 1 EGEF CCCC(=O)O[C@@H]1CCC2=CC(=O)C([C@H](C)C(=O)O)=C[C@@]2(C)[C@H]1C 2356729262 RHAVGGANRGGENU-YCGMZMFZSA-N 334.412 3.291 30 1 EGEF COc1ccc2c(c1)OC/C(=C\c1ccc(OC)c(OC)c1)C2=O 33393008 YKRAQIAZPKGEIC-MDWZMJQESA-N 326.348 3.371 30 1 EGEF CNc1nc(N/N=C\c2ccc(OC)cc2)nc(Nc2ccccc2)n1 33615542 RCJGVUUQTITKOR-NDENLUEZSA-N 349.398 3.112 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C=C(CC[C@H]4O[C@@]4(C)CC[C@H]12)C(=O)O3 40893319 GKZBZZYALRNEFE-IWCRVHLMSA-N 344.407 3.004 30 1 EGEF C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@]45O[C@H]4C(=O)[C@H](C#N)C[C@@]5(C)[C@H]3CC[C@@]21C 299848275 JARKEVRMNQUONS-HMYGYQKGSA-N 343.467 3.230 30 1 EGEF Oc1nccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 586908632 CKWVQBMWPRPTFF-KRWDZBQOSA-N 343.427 3.313 30 1 EGEF CC1(C)CC(=O)C2=C(C1)OC(=N)[C@H](C#N)[C@@H]2c1ccc2c(c1)OCO2 169688959 VPIKOWJBEQZWJB-BZNIZROVSA-N 338.363 3.289 30 1 EGEF C=C1C(=O)O[C@H]2C=C(C)CCC=C(C)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@@H]12 253639813 SLFNZRXROGKMKG-PJVGUBBJSA-N 346.423 3.010 30 1 EGEF CC1=C[C@H](O)C[C@]2(C)O[C@H]2C[C@@]2(C(C)C)CC[C@@](C)(O2)[C@@H](O)CC1 2356333513 SMDIJQJOQYXYQB-YDRVBMSGSA-N 338.488 3.350 30 1 EGEF CC(C)=CC=C1O[C@@H]2CC(C)=CC(=O)[C@@]2(OC(=O)CC(C)C)[C@]1(C)O 2356466430 GDEJFCBKFPLWAP-RLLQIKCJSA-N 348.439 3.234 30 1 EGEF C=C[C@]1(C)C=C2C(=O)[C@@]3(O)OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)[C@H]2CC1 2356598766 AHEAPTSGUOGOKK-XZWBYJIQSA-N 330.424 3.156 30 1 EGEF CC(C)C[C@@H](/C=C/c1ccccc1)n1cc(/C=C/C(=O)NO)nn1 72177236 BXTRNSNNNNYKSA-UTUZZDLOSA-N 326.400 3.097 30 1 EGEF CN(c1cccnc1)c1cncc(NC(=O)c2cccc(C#N)c2)c1 96175681 VAIQGSPOCYVKGI-UHFFFAOYSA-N 329.363 3.368 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc3c(c1)OCO3)O2 587388036 ZLCCKPDVKMIPFS-IBGZPJMESA-N 336.347 3.080 30 1 EGEF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C#N)ccn1 587868711 PLVPMWPABVMUNW-UHFFFAOYSA-N 345.284 3.228 30 1 EGEF CCOC(=O)[C@H](C#N)[C@@]1(CC)c2ccc(F)cc2C[C@H]2CCCN21 963103614 NVPGAUVXXJTTKF-HHXXYDBFSA-N 330.403 3.154 30 1 EGEF C#CCOc1cccc(Cl)c1[C@@H]1NCCc2c(C(=O)O)cccc21 963125801 UUYLXNPNCFGZRA-GOSISDBHSA-N 341.794 3.285 30 1 EGEF COc1cc([C@@H]2O[C@@H]2C(=O)c2cc(C)cs2)cc(OC)c1OC 1857584026 YFPYJMYDMUNFOO-DOTOQJQBSA-N 334.393 3.405 30 1 EGEF CC1=NC[C@]23C[C@H](O)[C@H]4[C@@H](CCC5=CC(=O)C=C[C@@]54C)[C@@H]2CC[C@@H]13 2356380789 QTJNBGXAMZCXMH-YUDLKVPISA-N 325.452 3.336 30 1 EGEF CCOC(=O)C1=C(Nc2cc(Cl)cc(Cl)c2)SCC1=O 101701213 PUZRUSVUWRZIEI-UHFFFAOYSA-N 332.208 3.496 30 1 EGEF N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cc[nH]c23)cc1 28231591 VQYUCFYCCGCNEL-UHFFFAOYSA-N 331.784 3.494 30 1 EGEF C=C1C[C@@]23C[C@H]1C(=O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 2356610997 FIIJLEWMNRMYMJ-NWOPGZDGSA-N 346.423 3.140 30 1 EGEF CC(C)CC(=O)O/N=C(\Cn1cncn1)c1ccc2ccccc2c1 1772572961 GVGGKUOMWXWRJS-RELWKKBWSA-N 336.395 3.425 30 1 EGEF C/C(=N/O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2 13584552 STEFZCCRMOYRFA-JJFYIABZSA-N 337.354 3.389 30 1 EGEF Clc1ccc(C#Cc2nc3[nH]cnc3c(=NC3CCCC3)[nH]2)s1 1857555969 XZDRDRRVIDEBHK-UHFFFAOYSA-N 343.843 3.244 30 1 EGEF CC#C[C@H](c1ccc(OCc2ccccc2)cc1)[C@H]1OC(=O)NC1=O 71341175 NANAVBKZZAPDSA-QZTJIDSGSA-N 335.359 3.008 30 1 EGEF C[C@@H](Nc1ncc(C#N)c(OC[C@H]2CCCCO2)n1)c1ccccc1 40410804 LUTZKGPIPXGJOV-RHSMWYFYSA-N 338.411 3.469 30 1 EGEF C/C(=N\N/C(N)=N\C(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1 49034565 RYVLFAKCRMEBNF-QBJCQPOYSA-N 340.814 3.208 30 1 EGEF N#Cc1cnn(C(=O)NCc2ccc(OCc3ccccc3)cc2)c1 299826448 GHMJQEZJMFDIOS-UHFFFAOYSA-N 332.363 3.092 30 1 EGEF CC(C)(C)OC(=O)NCc1nc2cccc3c2c(c1CCC=O)CC3 587212059 BDTBCOVFGYIKKZ-UHFFFAOYSA-N 340.423 3.490 30 1 EGEF CC1=C[C@]2(C=CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 587818454 DKLAUGRADABWQY-HWPZZCPQSA-N 336.204 3.403 30 1 EGEF CCCCCCCCCC[C@@H](C(=O)O)[C@]1(C(=O)OC)CCC(=O)O1 2356498913 MOQSEPITIGAHKF-KSSFIOAISA-N 342.432 3.467 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@H](OC(=O)CC(C)C)[C@@H]12 2356621379 ZEPVGWURVYMKCE-YQVWRLOYSA-N 348.439 3.091 30 1 EGEF CCOc1ccc(Oc2cc(/C(=N/O)n3ccnc3C)ccn2)cc1 72101050 IEKKBWYRHXUJBU-UZYVYHOESA-N 338.367 3.462 30 1 EGEF O/N=C(\NC[C@@H]1CCCO1)c1ccc(Oc2ccc(Cl)cc2)nc1 72183276 MXHBUQBNIXHVSO-HNNXBMFYSA-N 347.802 3.432 30 1 EGEF C=C1C2=C(CC[C@@]13CC=CC1=C3COC1=O)C(=O)O[C@@H]2c1ccoc1 169447481 RZECTVIURYBYDH-XLIONFOSSA-N 336.343 3.324 30 1 EGEF COc1cc(/C=C/C(=O)/C=C/c2ccccn2)cc(OC)c1OC 1857754822 ZLIPCUOOMRNUQR-FIFLTTCUSA-N 325.364 3.403 30 1 EGEF Cc1cccc(C#Cc2cc([123I])cc(C#N)c2)n1 102841206 YHTXJRZMHVUSFD-KIWWSDKQSA-N 340.157 3.266 30 1 EGEF C[C@@H]1CC[C@H]2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2C=O 27563986 ZPBAUHKQXIEUFB-DQAPRGMSSA-N 334.456 3.312 30 1 EGEF C=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(C=CC[C@@]3(C)C(=O)O)[C@@]2(O)CC1 2356512513 WIEULLALQDWNTC-ZGXWSNOMSA-N 344.407 3.082 30 1 EGEF C=C1C[C@@]23C[C@H]1CC(=O)[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 2356679921 MNWSIPXSEQTSPP-HPEAPVNBSA-N 346.423 3.140 30 1 EGEF C=C1CCC=C(C)CC[C@@H]2O[C@]2(C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H]1O 2356789726 DPOVKCOROWWUOF-PKRADWSKSA-N 332.440 3.459 30 1 EGEF C#Cc1cccc(Nc2nc3cc(C(N)=O)ccc3c3cncnc23)c1 66112428 DAUPXNKUCWHZBK-UHFFFAOYSA-N 339.358 3.002 30 1 EGEF C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)[C@@H](O)C[C@H]12 263591405 GVKVGOGUDSJCLX-HETMTNPWSA-N 328.452 3.439 30 3 EGEF Cc1c([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C 587517868 WLSAPXYKOAEZOK-HXUWFJFHSA-N 335.407 3.382 30 1 EGEF C[C@@](O)(c1cccc(F)c1)c1ccnc(Nc2ccc(C#N)cc2)n1 169310971 YOWNDUAYPNBXFX-LJQANCHMSA-N 334.354 3.487 30 1 EGEF C=C[C@]1(C)C=C2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1O 203714219 YNEOQMQDVSEXCP-YYFZDKIDSA-N 325.408 3.228 30 1 EGEF COc1ccc(NC(=S)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1 6299350 SRNPOCGJEHHQEL-WOJGMQOQSA-N 344.396 3.314 30 1 EGEF CCc1cc(C#Cc2cc(Cl)ccc2OC)cc2c1NC(=O)C2=O 587907798 PWDUOMWTLBMUGD-UHFFFAOYSA-N 339.778 3.446 30 1 EGEF NC(=O)c1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2c1 586902043 SYDVCKFYTBSTTR-UHFFFAOYSA-N 327.343 3.322 30 1 EGEF COC(=O)c1cnn2cc(C#Cc3cc(Cl)ccc3OC)ccc12 587912160 BVWJCFUDLUVVPB-UHFFFAOYSA-N 340.766 3.183 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@H](OC(=O)CC(C)C)[C@H]12 2356493961 MITPFWVPAIMKDV-NTDBWNAOSA-N 348.439 3.089 30 1 EGEF CCCCCCCC(=O)NCC(O)CNC(=O)CCCCCCC 73391073 LYMNDWKZMXKZHF-UHFFFAOYSA-N 342.524 3.301 30 1 EGEF COC[C@@H](C)N/C(=N\O)c1ccnc(Oc2ccc(Cl)cc2)c1 72185125 KHXXUHHEXZOSJY-LLVKDONJSA-N 335.791 3.288 30 1 EGEF CCOC(=O)Cc1ncc(C#Cc2cc(Cl)ccc2OC)s1 587921200 XDLHNYLPZRVNBP-UHFFFAOYSA-N 335.812 3.311 30 1 EGEF COc1ccccc1/C=C/C=N\n1c(S)nnc1-c1ccccn1 15985552 YYZKSEAWRHPAAL-NQUXILLWSA-N 337.408 3.185 30 1 EGEF CC1=[N+](C)N(c2ccccc2)C(=O)[C@@H]1/N=C/c1ccc(Cl)cc1 17995943 IOVRIZRQYZFDPK-XNHPLOEXSA-N 326.807 3.193 30 3 EGEF Cc1cc(C)nc(/N=C(\N)NCCc2ccc(C(C)(C)C)cc2)n1 28379101 FPPAVQSGLVQOFN-UHFFFAOYSA-N 325.460 3.169 30 1 EGEF CCCNC[C@@H](O)CO/N=C1\CCCOc2c1ccc1ccccc21 26936148 BVHIFVHVXFTETH-UFIXSJTLSA-N 342.439 3.094 30 1 EGEF CC[C@H](C)C(=O)O[C@@H]1CC(C)=C2C[C@@H]3O[C@]3(C)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]12 2356501733 LQUIPYXNZMFMLO-CCZYLAELSA-N 348.439 3.020 30 1 EGEF CC(=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3)CO 2356588162 KOATXBNOVXBDJE-HEFCWWFNSA-N 346.467 3.445 30 1 EGEF C#CCOc1c(OC)cc2c3c1-c1cc(N)ccc1C[C@@H]3N(C)CC2 1911572625 BBXOOHQXEJHYOD-KRWDZBQOSA-N 334.419 3.042 30 1 EGEF CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 141761223 ZGODLWLWPALTFR-ATWVFEABSA-N 328.452 3.470 30 1 EGEF CCOC(=O)[C@H](CC)n1cc(C#Cc2cc(Cl)ccc2OC)cn1 587908833 DJXQVMQWPYIMLZ-INIZCTEOSA-N 346.814 3.459 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C#N)c(S)nc1C)O2 587411664 UEILAZIIHHNFAR-SFHVURJKSA-N 339.420 3.322 30 1 EGEF CN[C@@H](c1cccnc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587220498 CPQUAPWQHPXCLE-AWEZNQCLSA-N 331.301 3.157 30 1 EGEF C=C1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\CCOC1=O 14499704 LAIHLMZBILKPIA-VDNUWSFTSA-N 332.440 3.198 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@H]3O[C@]3(C)CC/C=C(\C)C[C@@H](O)[C@@H]12 165697414 QDVFXUZZNWQOPD-FIOHUNJDSA-N 332.440 3.459 30 1 EGEF CC(=O)O[C@H]1C[C@H](O)[C@@]2(C)CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]12 153491012 HGJGSIGVBDVXSM-FSEDFMJGSA-N 346.467 3.421 30 1 EGEF COc1ccc2c(c1)OC/C(=C/c1ccc(OC)c(OC)c1)C2=O 3984036 YKRAQIAZPKGEIC-JYRVWZFOSA-N 326.348 3.371 30 1 EGEF in-vitro CC=C(C)C(=O)OC[C@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1 2356454116 ZGXYCHGIDNWUEN-LJQANCHMSA-N 332.396 3.291 30 1 EGEF CC1=C2C[C@@H]3O[C@]3(C)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H](OC(=O)CC(C)C)C1 2356583672 DFAANSZXNZEUGY-CFNOLMJJSA-N 348.439 3.020 30 1 EGEF CCCCCCCCNCCS(=O)(=O)NCc1ccccc1 72141279 OSVATJURMVURGO-UHFFFAOYSA-N 326.506 3.056 30 3 EGEF COc1cccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)c1O 45351425 FTOXBQKWUFOTCG-CMDGGOBGSA-N 344.363 3.323 30 1 EGEF COc1ccc([C@@H]2CCc3cc4c(cc3C2=NO)OCO4)cc1OC 263591176 JQEHLDMXRJMVNO-ZDUSSCGKSA-N 341.363 3.341 30 3 EGEF COc1ccc(Cl)cc1C#Cc1ccc(-n2ncc(C#N)c2N)cc1 587906896 YFZCLDHBAZUQNK-UHFFFAOYSA-N 348.793 3.388 30 1 EGEF N#Cc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1C#N 587068824 FHYHPIQYEAPFCQ-AWEZNQCLSA-N 335.798 3.245 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)c2c(c1)C(=O)NCC2 587917667 OCCGJFOCTKVCMF-UHFFFAOYSA-N 329.758 3.173 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)NC(=O)[C@H](C)O2 587909518 YJXLQZCODSORTF-NSHDSACASA-N 327.767 3.468 30 1 EGEF CO[C@@H]1C(C)=CCCC[C@@H]2O[C@@]23CC(=O)O[C@@H]3c2c(O)ccc(O)c21 2356283638 WDYPOBGJRVTRDW-CJODITQLSA-N 346.379 3.041 30 1 EGEF 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C[C@]12C[C@H](c3ccoc3)OC=C1C(=O)C[C@@]13COC(=O)C1=CCC[C@@H]32 238747664 JSJGGYMCEWCMES-IZBJGVDFSA-N 340.375 3.484 30 1 EGEF C=CCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O 13641992 SHCXLTGBNFTOJY-HNNXBMFYSA-N 336.800 3.459 30 1 EGEF O=C(CC12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)NO 101666169 IXLWJPCOAMGLEB-AGCBMJJTSA-N 330.384 3.328 30 1 EGEF C=CC1=C2C(=O)CC[C@@H]3CN4C[C@H](C)[C@H]5C[C@H]4[C@]3(C)[C@@]2(CC1)C5=O 2356448285 XTYMVYMUTIHPNR-RPEVDGQWSA-N 325.452 3.158 30 1 EGEF C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 71756381 CZEMYYICWZPENF-AAZDQIMRSA-N 348.439 3.076 30 1 EGEF endogenous,in-man C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)CC(C)=CCCC(C)=C[C@H](O)C[C@@H]2C 254010616 GQTPRLWQZDUWKJ-NLNMYJFZSA-N 334.456 3.299 30 3 EGEF COc1cc(/C=C/C(=O)c2c(O)cc(O)cc2OC)cc(OC)c1 299860962 KCPASTPCEHYCGN-SNAWJCMRSA-N 330.336 3.020 30 1 EGEF COc1ccc([C@@](C)(O)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 169310953 MIZXKBCWRIJTPH-HXUWFJFHSA-N 346.390 3.356 30 1 EGEF CC(=C[C@@H]1C(=O)C(C)=C[C@H]1O)CCC=C(C)[C@H]1CC=C(C)C(=O)O1 2356348779 FPIGZCFWUBVDJZ-RCCFBDPRSA-N 330.424 3.427 30 1 EGEF O=C1Nc2c(Br)cccc2/C1=C1/Nc2ccccc2C1=O 101142924 ACQKORXYJTYVKI-OWBHPGMISA-N 341.164 3.421 30 1 EGEF CC=C(C)C(=O)O[C@@]12C(=O)[C@@]3(C(=O)C(O)=C1C)[C@@H](C)CC[C@H]3C2(C)C 2356672266 CNSCLIJSQQBULZ-LPPUBZERSA-N 346.423 3.291 30 1 EGEF C=CCC1=C(O)C(=O)C2=C(C=C[C@H]3[C@@](C)(CO)CCC[C@]23C)C1=O 238773582 JFLWGFZRWPOVRQ-KPOBHBOGSA-N 328.408 3.198 30 1 EGEF CCCCCCCCNS(=O)(=O)C[C@H]1NCc2ccc(C)cc21 96020242 LERQOOBXCSKFOW-GOSISDBHSA-N 338.517 3.419 30 3 EGEF CCCCN1C(=O)/C(=C/NCc2cccnc2)C(=O)c2cccc(C)c21 473097918 DNXPERWSGCLODV-NBVRZTHBSA-N 349.434 3.393 30 1 EGEF COC[C@](C)(O)c1cncc(C#Cc2cc(Cl)ccc2OC)c1C 587908396 TXYHOCVFPWLFFY-IBGZPJMESA-N 345.826 3.306 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N)c(C#N)c1Cl)O2 587408845 DTUICIDXKSMDJV-LLVKDONJSA-N 333.800 3.453 30 1 EGEF COC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C(=O)C=C1C(C)(C)C 587403476 MZBZJYOJXVWDPQ-FQEVSTJZSA-N 341.407 3.367 30 1 EGEF Cc1ccc([C@@]2(COC(=O)CC(C)C)CO2)c(OC(=O)C(C)C)c1 15169442 QVGMYLIEMRLBGN-LJQANCHMSA-N 334.412 3.371 30 1 EGEF endogenous,in-man O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2cc[nH]n2)no1)NO 28701806 WEIHNHZCYKEJPD-CYBMUJFWSA-N 347.419 3.189 30 1 EGEF COc1ccc(CCNC(C)=C2C(=O)C[C@H]3[C@@H]2C3(C)C)cc1OC 2356605195 XIURQJMAEMJWEL-LIRRHRJNSA-N 329.440 3.355 30 1 EGEF CCCCN(C(=O)NCc1ccc(C(=O)NO)cc1)c1ccccc1 95575708 BGJUYFUGIDPBBW-UHFFFAOYSA-N 341.411 3.322 30 1 EGEF COc1ccc(/C(COc2ccc3ccc(=O)oc3c2)=N/O)cc1 653786003 MIOFSEHBQNHBBH-KNTRCKAVSA-N 325.320 3.059 30 1 EGEF Cc1cc(N(C)Cc2nc3cccc(C#N)c3[nH]2)c([N+](=O)[O-])cc1F 587136713 JQKGYSUAPGACMA-UHFFFAOYSA-N 339.330 3.427 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnn(-c2nc(C)cnc2C)c1 587909625 XHHCZYUHWAZAJV-UHFFFAOYSA-N 338.798 3.341 30 1 EGEF Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C2=NCCN2)cc1 1772580437 HLJKGYAKBXNVDB-UHFFFAOYSA-N 346.821 3.220 30 1 EGEF CC=C(C)C(=O)O[C@@H]1c2ccoc2C(=O)C2=C[C@H](O)C[C@H](C)[C@]21C 2356338376 VWUPQZXUHCYORA-XADVXLBKSA-N 330.380 3.360 30 1 EGEF CNC(=O)/C(=N/OC)c1ccccc1COc1ccccc1Cl 103180609 LJPKEIUPKWNXFI-CAPFRKAQSA-N 332.787 3.016 30 1 EGEF N#Cc1c(NCc2ccccc2)c(Cl)c2nc(N)nc(N)c2c1F 58538104 METJNOCSBUHNGR-UHFFFAOYSA-N 342.765 3.070 30 1 EGEF CC(C)=CC(=O)O[C@@H]1CCC(C)(C)[C@]2(C)[C@]1(C)C[C@H](CO)[C@@]21CO1 2356532165 SKEVLCWFNQWZAL-NGTQAZIISA-N 336.472 3.478 30 1 EGEF CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H](CO)[C@]2(C)CCC1=CCOC1=O 2356575597 TUKIEDUNYYIEJB-ZSXHRAQDSA-N 332.440 3.200 30 1 EGEF C=C1C[C@@]23C[C@H]1C(=O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O 2356610998 FIIJLEWMNRMYMJ-OGMMBLFGSA-N 346.423 3.140 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CC=C(C)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356614410 TXMPZNDZQFKJQU-HRJHHYPFSA-N 346.423 3.250 30 1 EGEF N#Cc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1 45290757 CDQJEORKSUXXIR-UHFFFAOYSA-N 327.457 3.018 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)C(=O)C/C=C(/C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 141441283 FKDIIXZIKCNXAT-NDGZJTGGSA-N 344.407 3.218 30 1 EGEF C=CCc1ccc(OCc2cn(-c3cccc(C#N)c3)nn2)c(O)c1 299857803 CZXCBFQNTQDLKE-UHFFFAOYSA-N 332.363 3.152 30 1 EGEF C=C(C(=O)OCC)[C@@H](OCCC(=O)OCC)c1ccccc1Cl 299835664 MIJRCKMJMFQKHA-MRXNPFEDSA-N 340.803 3.470 30 1 EGEF C=CCc1cccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12 586949225 QZKDSKONRSQXRR-UHFFFAOYSA-N 341.436 3.254 30 1 EGEF C=CCc1cccc2nc(C[C@@H]3SC(=O)N(CC=C)C3=O)[nH]c12 587039339 QZFJMTGCSZHCAI-ZDUSSCGKSA-N 327.409 3.084 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])c(C#N)cc1F)O2 587381350 HUEAZWYDZHUWTN-MRXNPFEDSA-N 341.298 3.203 30 1 EGEF Cc1oc(C#N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880250 IHHOURVUOJAWKM-UHFFFAOYSA-N 347.201 3.477 30 1 EGEF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4O[C@H](CC#N)C[C@H]41)[C@@H](C2)C3=O 587429569 PWHODJAKRLZZDA-MQZHODQLSA-N 339.391 3.053 30 1 EGEF C=C(C)[C@@H]1C[C@H](OC(=O)CC(C)C)[C@]2(C1)C(C)=CC(=O)[C@@H](O)[C@H]2C 2356438552 JWNHKPFBTAUOPJ-FWUZGWGZSA-N 334.456 3.443 30 1 EGEF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)OC3=CC(=O)[C@H](O)[C@@H](O)C3=C[C@@H]12 2356537661 ATEPQLOVXUBFRA-CYGZGYCASA-N 346.467 3.133 30 1 EGEF CC(=Nc1cccc([N+](=O)[O-])c1)c1c(O)n(C)c2ccccc2c1=O 2356855632 GVFDACNBEHATQV-UHFFFAOYSA-N 337.335 3.293 30 1 EGEF O=CN1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 64415726 YDMDBVCCOCTYQI-CZCYGEDCSA-N 339.341 3.473 30 1 EGEF CC#Cc1cncc(-c2cc([C@]3(C4CC4)N=C(C)C(N)=N3)ccc2O)c1 95579095 AHRMUGFBTQOUNO-OAQYLSRUSA-N 344.418 3.220 30 1 EGEF C=C1[C@H](F)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O[C@H]([C@@H]12)[C@@H]3O 238763487 FIJZLOOHEQMRJW-DKDWBBOZSA-N 334.431 3.410 30 1 EGEF CC(C)(C)[C@@H]1CCc2ncc3c(c2C1)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1O2 299846713 FZRDZIDWQZOZAG-VCTAVGKDSA-N 337.419 3.469 30 1 EGEF CC1=CC(=O)C=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587823990 SVJOVHHXWKWVFC-HWPZZCPQSA-N 336.204 3.403 30 1 EGEF CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccccc1 103171674 CTFUQWVCYRJCMX-ALDSOSFCSA-N 326.396 3.061 30 1 EGEF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=CC1=CC(=O)O[C@H]1O 2356617610 KJASBNIUXGTDRP-LMVHDODDSA-N 330.424 3.322 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C(=O)[C@H](OC(=O)[C@H](C)CC)[C@H]12 2356668990 JDJDTBKVRVBWGQ-HALQFCHDSA-N 346.423 3.298 30 1 EGEF COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCSC2)cc1 72180194 KGQHJKJZHQYKMP-MNDPQUGUSA-N 345.424 3.333 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1 587903857 RNESXEDJANKPQO-UHFFFAOYSA-N 347.710 3.060 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(N)cc(C(=O)N(C)C)c1 587904605 RQLKIVHOXNDIHF-UHFFFAOYSA-N 328.799 3.032 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2cc([N+](=O)[O-])ccn12 587912589 SNEBHXOPXGJXCW-UHFFFAOYSA-N 327.727 3.304 30 1 EGEF C=C1C(=O)OC[C@H]1[C@@H](O)c1cn(Cc2ccccc2)c2ccccc12 1857547790 JQQWSATWNPDPGK-QUCCMNQESA-N 333.387 3.452 30 1 EGEF Cc1nc(-c2ccc(OCCC(C)C)c(C#N)c2)nc(O)c1C(=O)O 1857558340 UKMXMYRVSPOXHF-UHFFFAOYSA-N 341.367 3.152 30 1 EGEF CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3ccnc3C)[C@@H]2CC1 1857743060 CTWNCTXYIPPNSV-YTGMWSOZSA-N 330.428 3.027 30 1 EGEF C=CCNC(=O)c1onc(CSc2cc(C)ccc2C)c1C(=O)O 8672364 RXLJJIBTHJGACO-UHFFFAOYSA-N 346.408 3.198 30 3 EGEF C=C1CC[C@@H]2O[C@]2(C)CC[C@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@H]12 2356633142 YXTOBXGODMEKLL-DZIWXPPMSA-N 332.440 3.317 30 1 EGEF N#Cc1ccc(Nc2nccc([C@H](O)c3cc(F)ccc3F)n2)cc1 72114997 AYOXCDHCHKYZBP-QGZVFWFLSA-N 338.317 3.452 30 1 EGEF CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)CO)n2)cc1 38149362 AFOKUYNUCQYJRC-UHFFFAOYSA-N 345.487 3.118 30 1 EGEF C[C@]12CC[C@H]3[C@@H](C/C(=N/O)C4=C/C(=N\O)CC[C@@]43C)[C@@H]1CCC(=O)N2 71334805 AWWZNLCIEKDBLG-XXVULWHSSA-N 345.443 3.088 30 1 EGEF Cc1cc(N/N=C/c2ccc(C(=O)O)cc2)c2cc3c(cc2n1)OCO3 84671670 SRZJMJYOFJKMTD-AWQFTUOYSA-N 349.346 3.416 30 1 EGEF CC1=CC(=O)O[C@@H](/C=C(/C)[C@@H](O)CC[C@@H](C)C2=CC(=O)C(C)(C)O2)C1 238788556 MVGBWGQAUHVNGU-ZHHLPTKUSA-N 348.439 3.234 30 1 EGEF COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@](C)(O)C3)cc2)cc1 96927986 QGRLZMZABNBOQG-JOCHJYFZSA-N 349.430 3.082 30 3 EGEF COC(=O)c1cc2nc(C#Cc3ccc(Cl)cc3C)[nH]c2cn1 587066982 KESNIAYVFICTBY-UHFFFAOYSA-N 325.755 3.106 30 1 EGEF Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)n1 587881674 WFKSJAGUQLKWEK-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc([C@@H](CN)N(C)C)c1 587904558 PUYSMKGLNOJEGE-GOSISDBHSA-N 328.843 3.310 30 1 EGEF Cc1ccc(C(=O)/C=C\c2nc3c(S)nc(S)nc3[nH]2)cc1 587965072 GPRRABIDPGWHSS-SREVYHEPSA-N 328.422 3.135 30 1 EGEF C/C=C1/C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 206693443 AGSIHXUUMSXXHC-ZWOBXXRASA-N 332.484 3.486 30 1 EGEF CC1(C)C[C@H](C(=O)Nc2c(Cl)cccc2Cl)C(=O)[C@@H]2O[C@@H]21 26958403 RNPZBNBGFWAMBA-PAWXDDDFSA-N 328.195 3.315 30 1 EGEF CC(=O)OC/C(=C/c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 103275474 JSMLNEFEWQRKIZ-WJDWOHSUSA-N 325.320 3.424 30 1 EGEF C=CCO[C@H](CCCCCCC(=O)NO)C(=O)Nc1ccccc1 28956739 CYBXTSDCXMXSMK-MRXNPFEDSA-N 334.416 3.042 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356557992 ITWYQAIFKHRKRR-KSZLIROESA-N 346.423 3.011 30 1 EGEF O=C(O)[C@@H](Cc1ccccc1)CN(O)C(=O)CCCc1ccccc1 27760127 DNISLJYZWJVIBT-SFHVURJKSA-N 341.407 3.171 30 1 EGEF C[C@@H]1CCCC(=O)CCC[C@@H]2O[C@@H]2c2cc(O)cc(O)c2C(=O)O1 2356723054 XKWUXCYGZAULIC-TYFHEEPYSA-N 334.368 3.006 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(N2CCOCC2)cc1C 587908329 QTGMGMAJEGUSRA-UHFFFAOYSA-N 342.826 3.288 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(N)=O)c(N)cc1Cl 587899398 CMFZUTRRSLMCQL-UHFFFAOYSA-N 335.190 3.083 30 1 EGEF Cc1cc(N)cc(C)c1Oc1nc(N)nc(Nc2ccc(C#N)cc2)n1 5930718 XWXUNXSAIARZMJ-UHFFFAOYSA-N 347.382 3.060 30 1 EGEF O=C(NO)c1cnc(NC2(c3cc(Cl)cc(Cl)c3)CC2)nc1 166658253 PXSRDDRJTSWYSP-UHFFFAOYSA-N 339.182 3.004 30 1 EGEF C=C1C(=O)O[C@@H]2C3=C(C)CCC(=O)[C@]3(C)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356423207 QSSPNILUWTYPQM-HMPASCQOSA-N 344.407 3.052 30 1 EGEF Cc1cc(F)ccc1COc1ccc(C(=O)CCC(=O)NO)cc1 28528614 UELVEXNQXWCLCX-UHFFFAOYSA-N 331.343 3.181 30 1 EGEF CCNc1nc2cc(Cl)c(C#CC(C)(C)O)cc2nc1NCC 115764882 LRNKBNHCFUOSAN-UHFFFAOYSA-N 332.835 3.269 30 1 EGEF C=C1CC[C@@H]2CCC3=C([C@@H](C[C@]4(C)O[C@H]4[C@@H](O)C1)OC3=O)C2(C)C 101535983 SMGIARQMSXVWAY-FWJNGRQBSA-N 332.440 3.293 30 1 EGEF C/C=C/c1ccccc1[C@H]1[C@@H](CO)N(C(=O)NC2CCCC2)[C@H]1C#N 95798365 XJULPZIPLGIRFF-ALIWGFJKSA-N 339.439 3.024 30 1 EGEF N#Cc1cccc2nc(-c3cncc(I)c3)[nH]c12 587184234 GDLSEIUACFOUCC-UHFFFAOYSA-N 346.131 3.101 30 1 EGEF N#Cc1nc(Cl)cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c12 587176198 HFUHOJMGFVPCHG-UHFFFAOYSA-N 338.733 3.419 30 1 EGEF CCC(C)(C)c1ccc(OCc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 587565346 CCQPVVGMFWFYAP-UHFFFAOYSA-N 346.394 3.363 30 1 EGEF C[C@H](C#N)c1cccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 587188605 UKSDGIKYPFTCAM-LLVKDONJSA-N 325.393 3.260 30 1 EGEF CCn1cc(Br)c(Cc2nc3ccc(C#N)cc3[nH]2)n1 587000844 SHJAVVDAFNKDRT-UHFFFAOYSA-N 330.189 3.004 30 1 EGEF N#Cc1ccc(Nc2nccc([C@H](NO)c3ccc(C#N)cc3)n2)cc1 169350557 SOKWGUDYUUPCOF-GOSISDBHSA-N 342.362 3.032 30 1 EGEF C=CCOc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)[C@H](O)C[C@H]12 169356420 GVKVGOGUDSJCLX-NJCPFYPZSA-N 328.452 3.439 30 1 EGEF COc1cc(C=C2COc3cc(O)ccc3C2=O)cc(OC)c1OC 2356577918 XCUPWTBYTPKFKR-UHFFFAOYSA-N 342.347 3.077 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=CC2=CC(=O)C[C@H](C)[C@@]21C 2356729199 MLPADAGLUVTHDI-DHFGEULSSA-N 342.391 3.177 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356767134 QFINJHBXXJQKPB-XMTFNYHQSA-N 346.423 3.010 30 1 EGEF CC=C(C)[C@@H]1Oc2ncc(-c3ccc(O)cc3)c(O)c2[C@@]1(C)C=O 2356782428 FCWZRGQNYIKFEE-PKOBYXMFSA-N 325.364 3.344 30 1 EGEF C=C[C@H]1C(=C)CC[C@@H]2[C@H]1CC[C@@]1(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]21C 36378673 GZPZXZUSDUMPJQ-NDIRWYAASA-N 334.456 3.148 30 1 EGEF N#Cc1nc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2nc1C#N 587073518 JHQJUOQHDVRGEV-UHFFFAOYSA-N 334.770 3.024 30 1 EGEF O=C(Nc1cccc(C#Cc2ccc3nccn3n2)c1)c1ccccc1 1772584044 FHAGOEPYEYMCRJ-UHFFFAOYSA-N 338.370 3.381 30 1 EGEF CC(=N)[C@H](C#N)C(=O)CSc1nnc(Nc2ccccc2C)s1 17511324 XAJQIYVCNHLSPW-NSHDSACASA-N 345.453 3.431 30 1 EGEF N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4207538 CFGCPHPJWCZDQM-ZBFHGGJFSA-N 343.770 3.055 30 1 EGEF C=C1CC[C@](C)(C=O)CC[C@H]2C(=CC=CC(C)(C)O)COC(=O)[C@@H]12 2356391598 UDXXPMHZVKAWCF-ZWOKBUDYSA-N 332.440 3.365 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)[C@H](C)CC)[C@@H](O)[C@@H]12 2356505872 SKCXSNIQFDWWOF-JGRFCZEVSA-N 348.439 3.089 30 1 EGEF C=C1CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@H]2C(=C)CC[C@@H]1O 71712305 JSQQYBKNOUUYPJ-JBPXYRHBSA-N 332.440 3.076 30 1 EGEF CC(C)N(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1 38214166 YUSOJEGBWOPIIA-UHFFFAOYSA-N 327.359 3.464 30 1 EGEF C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)/C(C)=C\C)/C=C(\C)CCC1=O 40379541 WCTVCSTUKQFAEX-XPFNQZCQSA-N 344.407 3.218 30 1 EGEF C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@H](C)CC)=C/C[C@H]12 40764413 VQRWOFINNQGFFG-VJZLAZQGSA-N 348.439 3.093 30 1 EGEF CC(C)C1=CC2=CC(=O)[C@@H]3C(C)(C)C(=O)CC[C@]3(C)C2=C(O)C1=O 85873900 QRQXVGKAYRQVAJ-UYAOXDASSA-N 328.408 3.484 30 1 EGEF biogenic,in-vitro COc1ccc(Cl)cc1C#Cc1nc(Br)ccc1N 587910575 ILAHXSHIVQIXSH-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF C/C(=C\C(=O)O)CC#CCNC(=O)Cc1ccc(Cl)cc1Cl 587874862 IWSODXCPVDQSHC-DHZHZOJOSA-N 340.206 3.077 30 1 EGEF COc1ccc(C(=O)/C=C/c2nc(O)c3ccccc3n2)c(OC)c1 1857587913 VWSARCQTVDKURJ-MDZDMXLPSA-N 336.347 3.249 30 1 EGEF CC1=CCC[C@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2[C@@H](O)C[C@@H](C)[C@@]3(C)CC1 2356381538 QERBULPKWCHSBH-UZWFVJOISA-N 334.456 3.087 30 1 EGEF C[C@]12CCC(=O)[C@]3(C)C(=O)O[C@H](C(=O)C=C1CCc1ccoc1)[C@@]23C 2356679928 MPGNOYIYHJDRQQ-MDNKFWRPSA-N 342.391 3.029 30 1 EGEF COc1ccc(NN/C(=C/N=O)C(=O)c2ccc(OC)cc2)cc1 33336711 UQJMWKGZBYCPBY-LFIBNONCSA-N 327.340 3.111 30 1 EGEF C=C1CC/C=C(\C)CC[C@@H]2/C(=C\CC=C(CO)CO)COC(=O)[C@@H]12 145211587 JOKXSQBLJTXDIX-XIDCNVQJSA-N 332.440 3.080 30 1 EGEF C=C1CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]2(C)[C@@H]1CCC1=CC(=O)O[C@@H]1O 238778012 PNXYDZZVVDQVKI-CVMAZLICSA-N 334.456 3.338 30 1 EGEF O=C(NO)c1cc2ccc(CN(CCO)c3ccccc3)cc2s1 96924317 AGQSIVZUDSIUAJ-UHFFFAOYSA-N 342.420 3.019 30 1 EGEF CCOc1cc(C#Cc2ccc(C[C@H](C)NC(=O)C3CC3)cc2)ccn1 169706159 ODNGLONPMRSSKE-INIZCTEOSA-N 348.446 3.337 30 1 EGEF CCO/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 103218506 ZTSJAEARXOBMGB-KEBDBYFISA-N 347.321 3.297 30 1 EGEF N#C[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1 95896077 FSTZDOIQITWSOS-HSALFYBXSA-N 336.435 3.233 30 1 EGEF Cn1cccc1S(=O)(=O)Cc1ccccc1/N=C/c1ccc[nH]1 95552577 AGBYYURFCQNPBT-XDHOZWIPSA-N 327.409 3.078 30 1 EGEF CC1(C)NC(=N)NC(=N)N1c1cccc(/C=C/C(=O)c2ccccc2)c1 653719519 ICFQFFGQCPQVDH-VAWYXSNFSA-N 347.422 3.188 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(C#N)c2)N1 587770718 BDNACGSUADRAEG-XXFAHNHDSA-N 346.203 3.478 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3O[C@@H](CC#N)C[C@@H]31)O2 587385761 GBOCPXKDCORCRG-YWKPPDPDSA-N 326.396 3.153 30 1 EGEF CNC(=O)/C(=N/OC)c1ccccc1COc1ccc(Cl)c(C)c1 103193950 SPFNPSXEKZDTTI-HEHNFIMWSA-N 346.814 3.324 30 1 EGEF C[C@@H]1CCCC(=O)CCC[C@@H]2O[C@H]2c2cc(O)cc(O)c2C(=O)O1 2356723053 XKWUXCYGZAULIC-PHEKWQANSA-N 334.368 3.006 30 1 EGEF C=C(C)C[C@@]1(C(=O)OCC)C(=O)Oc2ccc3ccccc3c2N1C 36387727 IOVUVPYDXDWBDG-HXUWFJFHSA-N 339.391 3.463 30 3 EGEF CCOC(=O)CN/C(S)=N/C(=N/c1ccccc1)c1ccccc1 84616052 GEAQWTXDOZNVKZ-UHFFFAOYSA-N 341.436 3.203 30 1 EGEF C=C[C@@](C)(O)CC(=O)/C=C(/C)CC/C=C(\C)[C@@H](O)C(=O)C=C(C)C 238759625 BKESAQVDKCRGEE-MGGONUGYSA-N 334.456 3.452 30 1 EGEF C[C@@H]1CC/C(=N\N=C2/SCC(=O)N2Cc2ccc([N+](=O)[O-])cc2)C1 653796410 MOAGDYLEMPJRMD-GWTRXYBMSA-N 346.412 3.202 30 1 EGEF CCOC(=O)c1ccc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2c1 587261505 CJPXNAJQRVRXGZ-UHFFFAOYSA-N 349.346 3.356 30 1 EGEF N#Cc1cccnc1NCc1cccc(-c2nc3c(N)ccnc3[nH]2)c1 587230668 WRXAXCZGAXSDKE-UHFFFAOYSA-N 341.378 3.086 30 1 EGEF N#Cc1c(N)nc(SCc2cccnc2)c(C#N)c1-c1ccco1 1857542440 RCHMOBFVVHVEGJ-UHFFFAOYSA-N 333.376 3.354 30 1 EGEF C[C@H](CS)C(=O)N(CC(=O)O)c1ccc(Oc2ccccc2)cc1 28263776 VHSLQMAEMWULPV-CYBMUJFWSA-N 345.420 3.462 30 1 EGEF N#Cc1c(C[C@H](N)c2ccccc2)cc(-c2ccccc2O)nc1N 28366139 AAULHXMYIYHOPY-KRWDZBQOSA-N 330.391 3.151 30 1 EGEF CC(C)C1=C[C@H](C=O)[C@@H]2C(=C1O)OC(=O)[C@]21CCCC(C)(C)[C@@H]1C=O 2356456539 IKFUOVBMEQRIIS-FVMRLONNSA-N 346.423 3.352 30 1 EGEF COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OC[C@@H]1CO1 95560240 YDYKRKHHMOAUKE-BBRMVZONSA-N 342.395 3.356 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(F)c2c1C(=O)C(=O)N2 587917443 JFBMSIZQAIZREN-UHFFFAOYSA-N 329.714 3.022 30 1 EGEF Cc1c(-c2nc3c(C#N)nc(Cl)cc3[nH]2)oc2c1[C@H](O)CCC2 586905450 PHWMOWIPQZHYGM-SNVBAGLBSA-N 328.759 3.421 30 1 EGEF CCOC(=O)[C@@H]1C/C(=C\C(C)=O)c2cccc(C(F)(F)F)c2O1 13814775 ZWTPKMQITVFHDF-RSPDNQDQSA-N 328.286 3.392 30 1 EGEF CC(=O)/C(=N\c1cccc(Cl)c1)NNc1ccccc1[N+](=O)[O-] 5382952 SBSKQTGWCRAJCM-UHFFFAOYSA-N 332.747 3.484 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)[C@H](OC(=O)[C@H](C)CC)C[C@H]12 2356663092 SQRYPCTWZQIPKH-STLJJKNPSA-N 348.439 3.089 30 1 EGEF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@H]2CC[C@H]3C[C@]21[C@H]1O[C@H]31 2356758810 JNHXFBNCZCMHFO-KHQYQHGGSA-N 348.483 3.311 30 1 EGEF C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@@H](C)/C=C/CC(=O)OC 72104331 KJHMKRHEJWSQIB-SFVKERMGSA-N 347.411 3.404 30 1 EGEF NCCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1 38208516 XBYGGIAFXHDSJP-LYBHJNIJSA-N 347.422 3.085 30 1 EGEF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4c5nonc5CC[C@@]43C)[C@H]1C/C(=N/O)C2=O 73298908 KINBHFUHBUNAOF-OLMJWMQISA-N 343.427 3.351 30 1 EGEF Cc1ccc(-n2nnc(C3=NN[C@@H](c4ccc(C#N)cc4)C3)c2C)cc1 84586754 PHJZYSXEAQNUTD-GOSISDBHSA-N 342.406 3.195 30 1 EGEF CCN(C)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc(C#N)cc1 82160097 UKCBPCXSEAAZEV-UHFFFAOYSA-N 349.438 3.462 30 1 EGEF N#Cc1nc(Cl)cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c12 587059003 KVCJNNARAAXOST-JTQLQIEISA-N 332.194 3.379 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2cc(C(=O)O)[nH]c2n1 587913378 ROHZHCBWZUAXIR-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF C#CCOc1ccc(-c2nc3cc(C(=O)OC)c(OC)cc3[nH]2)cc1 587563376 GQKCKBJKDGKCNX-UHFFFAOYSA-N 336.347 3.037 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(OCC(=O)O)c(F)c1 587916678 RTIIHIDZJACQKK-UHFFFAOYSA-N 334.730 3.351 30 1 EGEF C=CCN1C(=O)S[C@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)C1=O 587038043 BWNJYJNZIYQBEQ-SNVBAGLBSA-N 339.779 3.148 30 1 EGEF N#Cc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1O 587187704 JEPORKWTSHDHTK-UHFFFAOYSA-N 339.664 3.221 30 1 EGEF COC(=O)c1n[nH]c2cc(C#Cc3cc(Cl)ccc3OC)ccc12 587906949 ABNVMUYEQLKLPL-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF N#Cc1cc2ccc(N3CCOCC3)cc2n2c1nc1ccccc12 169324040 VCLMGRZLTFQARJ-UHFFFAOYSA-N 328.375 3.349 30 1 EGEF COc1cc(C(=O)/C=C/c2ccc(C=O)cc2)cc(OC)c1OC 58582926 WZENYYWALJVONV-CMDGGOBGSA-N 326.348 3.421 30 1 EGEF C=C(C)[C@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)C(=O)C=C(C)C(=O)C1 2356490142 YEBDNBDBHUUVGR-KYNGSXCRSA-N 328.408 3.491 30 1 EGEF C=C1CC=C[C@](C)(O)CC[C@@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@@H]12 2356495708 BLNSXPSESOVHJK-SYNHAJSKSA-N 332.440 3.076 30 1 EGEF COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@@H]1C 29566622 LBXOJPHXVYLGAL-XPTSAGLGSA-N 338.201 3.143 30 1 EGEF CCCc1c(O)ccc2c1O[C@](C=O)(c1cccc(O)c1)CC2=O 587491397 VBNBBGIDCFSQGR-LJQANCHMSA-N 326.348 3.110 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CNC(N)=S)cc1 587919393 MXYDOGMCMPYNBM-UHFFFAOYSA-N 330.840 3.082 30 1 EGEF CC(=O)/C(C)=N/OCc1cc(=O)oc2ccc(Br)cc12 1857768697 SPBGCLPWIRYLGL-LZYBPNLTSA-N 338.157 3.037 30 1 EGEF COc1cc2c(cc1OC)[C@H]1C/C(=N/O)[C@@H]3CCCC[C@@H]3N1CC2 6017870 CADPBCPVJBOUEG-FUSRXGHJSA-N 330.428 3.396 30 1 EGEF in-man COc1ccc([C@H]2C3=C(CCCC3=O)Nc3n[nH]c(C)c32)cc1OC 19134832 DZUOZRNZAZAJFL-QGZVFWFLSA-N 339.395 3.300 30 3 EGEF OCCCn1cc(-c2ccc3c(c2)CC/C3=N/O)c(-c2ccncc2)n1 100411215 CGDZXQIYUJFMAG-NMWGTECJSA-N 348.406 3.119 30 1 EGEF CCCNC[C@H](O)CO/N=C1\CCCOc2ccc3ccccc3c21 26850212 VRFIRCHYNFYCFX-KDCJFMNISA-N 342.439 3.094 30 1 EGEF CN(C)CC#CCCC(=O)[C@@](O)(c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100867217 VCZVZKXCDQXJCF-RMEPHLEKSA-N 339.479 3.225 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2C(=CC=CC(C)(C)O)COC(=O)[C@@H]12 2356576265 UQKDIHVSLOQHAL-KURKYZTESA-N 332.440 3.076 30 1 EGEF Cc1nc(C(=O)Nc2cccc(C#N)n2)c(C)n1-c1ccc(F)cc1 95602166 VMKJBNMCQMEXND-UHFFFAOYSA-N 335.342 3.147 30 1 EGEF COc1ccc(/C(O)=C/C(=O)c2c(O)cc(OC)cc2OC)cc1 238752827 OAYYEBBURGQLHF-UVTDQMKNSA-N 330.336 3.200 30 1 EGEF C=C(CC)C(=O)c1ccc(O[C@@H](C)C(=O)O)cc1Br 28713742 QJLVLUDYSDFZLK-VIFPVBQESA-N 327.174 3.450 30 1 EGEF C=C[C@]1(C)CC[C@H]([C@]23O[C@@H]2C[C@H](C(C)(C)O)O[C@@H]3O)C[C@@H]1C(=C)C 2356796687 NLAGCUOEVCOYBD-GFSDCARUSA-N 336.472 3.187 30 1 EGEF C#Cc1cccc2c1[C@]1(CC(=O)c3ccc(O)c(CCC)c3O1)C(=O)N2 587485738 QTEUFXSXQYEBIJ-OAQYLSRUSA-N 347.370 3.139 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(Br)c[n+]([O-])c1 587910349 WRWMZKHBSNWPFX-UHFFFAOYSA-N 338.588 3.144 30 1 EGEF C[C@]1([C@H]2COCCO2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963188400 APMGWRHUAUJVGG-BHDDXSALSA-N 348.446 3.440 30 1 EGEF CCO/N=C/c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F 14949793 XDKPDBZFOGBUBU-QPSGOUHRSA-N 329.335 3.150 30 1 EGEF C=C1[C@H]2[C@@H](CO)C[C@](C(=O)CCc3ccccc3)([C@H]2OC)C1(C)C 85546409 PSGRNASJIVXJTO-SAJDGTNDSA-N 328.452 3.414 30 1 EGEF biogenic,in-vitro C/C=C/c1ccc([C@H]2[C@@H](C#N)N(C(=O)NC3CCCC3)[C@@H]2CO)cc1 95897823 WVXGHKZQHTUAKX-HQGLLTGXSA-N 339.439 3.024 30 1 EGEF CCn1cc(-c2n[nH]cc2C#Cc2cc(Cl)ccc2OC)cn1 587903973 XIHIXIXUWNLUKG-UHFFFAOYSA-N 326.787 3.355 30 1 EGEF O=C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601479 GLLSBZQHAMFARU-NQIIRXRSSA-N 346.338 3.448 30 1 EGEF CN(C)C(=O)c1ccc2nc(CSc3ccccc3C#N)[nH]c2c1 586964894 NSXQCYRHIIUCET-UHFFFAOYSA-N 336.420 3.429 30 1 EGEF C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@]1(O)C3 17187363 CAZYNLSCRWNLPJ-MJSFPTQISA-N 346.467 3.422 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@@H]12 2356471789 ZHNTWXWAMWPYNI-RYRKJORJSA-N 332.440 3.076 30 1 EGEF COc1ccc(OC)c(C=NN=Cc2cc(OC)ccc2OC)c1 263591160 GPEYOIVCDYPQHX-UHFFFAOYSA-N 328.368 3.174 30 3 EGEF COc1ccc(Cl)cc1C#Cc1cccc2c1C[C@@H](C)NC2=O 587911086 HNHPFCDCUADBRA-GFCCVEGCSA-N 325.795 3.423 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)NC(C)C)nc1 587908449 WDABNUSQJQAFJB-UHFFFAOYSA-N 328.799 3.282 30 1 EGEF Cc1c(O)ccc2c1[C@](CC#N)(C[C@H](C)C(C)(C)C)N[C@H](C(=O)O)C2 963528629 UYKRJSHYGLHXJJ-LCMPSIMXSA-N 344.455 3.481 30 1 EGEF CC(C)(C)C(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 14970012 CSQHTINQZNDANL-AWEZNQCLSA-N 328.522 3.066 30 1 EGEF Cc1cc(=O)c(C(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)c(O)o1 100496699 CADLEBLJOLFCQR-NSCUHMNNSA-N 346.207 3.245 30 1 EGEF COc1ccc(S(=O)(=O)[C@@H](CCS)Cc2ccccc2)cc1 28017249 KMLHPTCEMLILLL-KRWDZBQOSA-N 336.478 3.400 30 1 EGEF COc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)c(O)c2)cc1O 34852880 XBMQVMWXMOLFRT-FCXRPNKRSA-N 326.348 3.411 30 1 EGEF COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)N1CCC=N1 72103034 XMUILGMUZONOBS-FXBPSFAMSA-N 340.383 3.327 30 1 EGEF CCn1cc(C#N)c2cc(Oc3ccc(NC(=O)CNC)cc3)ccc21 299857522 FIPDFGXVCDUJQL-UHFFFAOYSA-N 348.406 3.483 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(OC)c2c1CCNCC2 587910116 KSOICEMGWUTSBR-UHFFFAOYSA-N 341.838 3.445 30 1 EGEF CC(C)=CCOc1ccc([C@H]2C(=O)N(O)C(=O)/C2=C\C(C)C)cc1 206112071 CIBYRBNESSOEJP-ZFOVBUMHSA-N 329.396 3.456 30 1 EGEF CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O 29038475 ASOTUXAPLNMLBP-DQYPLSBCSA-N 345.464 3.296 30 1 EGEF C=C1CC[C@H](OC(C)=O)[C@](C)(O)[C@H](OC(C)=O)C[C@@H]2[C@@H]1CC2(C)C 14920765 GCWOSVDDCQPPBW-ILYVXUQDSA-N 338.444 3.003 30 1 EGEF biogenic CCCCCCCCOc1ncnc2c1ncn2[C@@H]1CC[C@@H](CO)O1 43366058 SHEIEKNNXURUHR-GJZGRUSLSA-N 348.447 3.236 30 1 EGEF C[C@]12[C@@H]3[C@@H](c4ccoc4)OC(=O)[C@]31C(=O)C[C@]1(C)[C@@H]2CC[C@H]2O[C@]21C 238786962 MXCWFIORGFVJPA-BYYXUNDWSA-N 342.391 3.047 30 1 EGEF CCCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)nc1 142367202 NYLVYXJOEAXSRY-MRXNPFEDSA-N 336.435 3.337 30 1 EGEF CC[C@@H](C)C(=O)O[C@@H]1[C@]2(CC3=CCC[C@H](C)[C@]31C)C(=O)O[C@@H]1O[C@@]12C 238783577 GFRCWBWTGYONQL-UWTHAYRTSA-N 348.439 3.369 30 1 EGEF biogenic N#Cc1cc(-c2c[nH]c3ncccc23)cc(N[C@H]2CC[C@H](O)CC2)n1 261169673 SQJXCRCSAJZPMM-CTYIDZIISA-N 333.395 3.212 30 1 EGEF CCCCCCCC(=O)NCCCc1nc2cc(OC)ncc2[nH]1 587228486 QLZUPJWVDJVPHD-UHFFFAOYSA-N 332.448 3.376 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(N)cc(C(=O)NC2CC2)c1 587904782 XAGVTEAJBXUZKT-UHFFFAOYSA-N 340.810 3.223 30 1 EGEF C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587190621 KPYYDFMVDDIXQF-LBPRGKRZSA-N 334.379 3.276 30 1 EGEF C=C1[C@H](O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 15060994 ZWMCKTRPQRKFAP-HZTYIQCYSA-N 334.456 3.126 30 1 EGEF biogenic CC#C[C@H](c1ccc(OCc2ccccc2)cc1)c1oc(=O)[nH]c1O 169724819 KMOHPLLVICCTRS-QGZVFWFLSA-N 335.359 3.408 30 1 EGEF C=CCN1CCc2c(cc(O)c(O)c2F)[C@@H](c2ccc(O)cc2)C1 27310716 MJBAWGDDLVDCAJ-MRXNPFEDSA-N 329.371 3.119 30 1 EGEF N#Cc1ccc(/C(=C\C[C@@H](N)C(=O)O)c2ccc(F)cc2F)cc1 28769515 KEAJHTZYSWBADO-OEXZBZRSSA-N 328.318 3.070 30 1 EGEF COc1cc(C=CC(=O)c2c(O)cccc2OC)cc(OC)c1OC 2356447255 OEKOYDNDUSEWAD-UHFFFAOYSA-N 344.363 3.323 30 1 EGEF COc1ccc(-c2ccc3c(Cl)cnc(N=C(N)N)c3c2)cc1 26972609 MOZIDBOJSUCARX-UHFFFAOYSA-N 326.787 3.469 30 1 EGEF Cc1cccc2oc(=O)c3c(c12)OC(C)(C)[C@@H]1CC[C@]2(C)O[C@@H]2[C@]31O 2356636922 ZSDCIXREXUHWAF-ROPXLQENSA-N 342.391 3.028 30 1 EGEF COc1ccc(Oc2ncccc2/C(=N/O)N2CCSCC2)cc1 72102491 RENPOTNULXOGFD-MNDPQUGUSA-N 345.424 3.067 30 1 EGEF CC#CC#C[C@H](OC(=O)CC(C)C)c1cccc(OC)c1C(=O)OC 15218718 SLFQABPRKSHFMU-INIZCTEOSA-N 342.391 3.139 30 1 EGEF biogenic C[C@H]1CC(=O)[C@@]23CO[C@H]4O[C@H](c5ccoc5)C[C@@]14[C@H]2CCC[C@]31CO1 238758649 NDNJZWPFCBYVOR-HHYDLULZSA-N 344.407 3.248 30 1 EGEF Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)CC#N)cn3)ccc12 98083845 RYBGKUVPKJKBTL-UHFFFAOYSA-N 335.319 3.141 30 1 EGEF N#Cc1ccc2c(C(=O)C3(Br)CCOCC3)coc2c1 587279194 OVQBBERUKPOSHE-UHFFFAOYSA-N 334.169 3.431 30 1 EGEF CN1C(=O)/C(=C2\Nc3ccccc3\C2=N/O)c2cccc(Cl)c21 1772632006 VGDOESHOOIOXBK-WAVHTBQISA-N 325.755 3.332 30 1 EGEF O=C1C=CC(=O)c2c1nc(Cc1ccccc1)n2Cc1ccccc1 13440024 WSHOXYZKAZDLDJ-UHFFFAOYSA-N 328.371 3.457 30 1 EGEF C[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(/C=C/C(=O)NO)cc1 13528139 JJHWAFGKOPVWMJ-NKSUMMKUSA-N 349.434 3.407 30 1 EGEF CCOC(=O)c1sc(N/N=C/c2ccc(OC)c(OC)c2)nc1C 5598478 WNVXUJRPBZSDLD-RQZCQDPDSA-N 349.412 3.091 30 1 EGEF C[C@H]1C=CC=CC(=O)[C@H](C)C[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@H]1C 2356419544 WDMWTIKQIXSBFK-OEXMUJLUSA-N 334.456 3.465 30 1 EGEF C=C1CC[C@H](C(C)C)C=C[C@](C)(O)CC(=O)C[C@@](C)(O)CC[C@@H]1O 2356595739 REFMWIIIPOFHJU-LEAZDLGRSA-N 338.488 3.157 30 1 EGEF CC1(C)Oc2cc(O)c(C(=O)C=Cc3ccccc3)c(O)c2C[C@H]1O 2356636673 QEISUXVWYCBWPL-QGZVFWFLSA-N 340.375 3.068 30 1 EGEF Cc1ccc(-c2c(C#N)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]2[O-])cc1 40845079 GRSRWFFYYXEFGY-UHFFFAOYSA-N 346.173 3.261 30 1 EGEF CC(C)/C=C/C(=O)[C@H](C)CCC[C@@]1(C)CO[C@H](CC(=O)O)CO1 40492139 FZBYJYYCJTZORP-GZKUDKTESA-N 326.433 3.223 30 1 EGEF C[C@@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@]3(C)CC[C@@H]2[C@@]2(C)C[C@@H](C#N)C(=O)[C@H]3O[C@@]312 299848753 WQWXUUCOLUMYLO-MOEHDROFSA-N 343.467 3.086 30 1 EGEF N#Cc1ccc2c(C(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)coc2c1 587277742 FJPWRNUIQOQKMM-LBPRGKRZSA-N 336.269 3.040 30 1 EGEF COc1ccc(C(=O)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 1772621128 SSZODOPLHRWKOM-UHFFFAOYSA-N 330.347 3.331 30 1 EGEF O=C1C=C(Nc2ccc(OC(F)(F)F)cc2)C(=O)c2scnc21 5933372 VNZSMRZPNIJHDX-UHFFFAOYSA-N 340.282 3.417 30 1 EGEF CN(C)CCO/N=C/[C@H]1CC[C@]2(O)C[C@@H](c3cccnc3)CC[C@]12C 13471884 ZBUHZGBHSYQMCC-NOFPFCLXSA-N 345.487 3.061 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(C)CCC=C(C)C[C@H](O)[C@@H]12 2356440166 QDVFXUZZNWQOPD-NMDDUFOESA-N 332.440 3.459 30 1 EGEF N#Cc1cccc(C[C@@H](NC(=O)c2ccc3ccccc3c2)C(=O)O)c1 49069168 RNXTXAFLCXFPPG-LJQANCHMSA-N 344.370 3.137 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)c2c[nH]c(=N)nc2c1 587917320 GARIWJBVRDBCSL-UHFFFAOYSA-N 327.746 3.243 30 1 EGEF C/C(=N\OCCCCC(=O)O)[C@@H](Cc1ccccc1)n1ccnc1 13738902 BCYFFYZXYAKMJO-FABDANFUSA-N 329.400 3.314 30 1 EGEF C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=CC(=O)O[C@@H]1O 2356336972 OXOZFUWMJVKNFD-CHBAHTGHSA-N 334.456 3.338 30 1 EGEF CC(C)C1=C[C@@H](O)[C@@](C)(O)CC(=O)C[C@H](C)CC[C@@H]2O[C@]2(C)CC1 2356501007 KMGLSHJNTMTELI-JIKAWYKTSA-N 338.488 3.398 30 1 EGEF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)OC3=CC(=O)[C@H](O)[C@H](O)C3=C[C@@H]12 2356537664 ATEPQLOVXUBFRA-ZPMOIGASSA-N 346.467 3.133 30 1 EGEF CC1(C)CCC[C@@]2(C)[C@@H]3CC(=C(CO)C(=O)C=O)O[C@]3(C)CC[C@H]12 2356635031 SOCXIASRGRBOAM-PIKOESSRSA-N 334.456 3.422 30 1 EGEF C[C@]12CC[C@H]3[C@@H](C/C(=N/O)[C@@H]4C/C(=N\O)CC[C@]34C)[C@@H]1CCC(=O)N2 71341356 WWRFWQRYZRAEGQ-BYTIAREESA-N 347.459 3.168 30 1 EGEF Cc1ccc2c3c(n(Cc4ccc(C(=O)NO)cc4)c2c1)CCN(C)C3 84620117 BHKGZSMGHYSGNO-UHFFFAOYSA-N 349.434 3.105 30 1 EGEF C#CCC(C)(C)C(=O)c1c(CO)oc2cc(Br)cnc12 587274419 VMLGAVVGSDUYER-UHFFFAOYSA-N 336.185 3.315 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(C(F)(F)F)N1 587706986 RQCGODQAORUICB-KSBSHMNSSA-N 340.114 3.079 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1N1CC[C@H](N)C1 587902814 QAAZTJHNUWCDAA-KRWDZBQOSA-N 326.827 3.286 30 1 EGEF C=CCONC(=C)[C@H]1C(=O)CC(C)(C)[C@H](c2cccc(C)c2)C1=O 957684365 SJDUOMIEHUEUHU-ZWKOTPCHSA-N 327.424 3.484 30 1 EGEF C#CCCCn1c2ccccc2c2ccc3c(c21)C(=O)[C@@H]1O[C@@H]1C3=O 1857555051 OJFIPWRLQKIABV-RTWAWAEBSA-N 329.355 3.354 30 1 EGEF CC(C)=CC(=O)[C@H](O)/C(C)=C/CC[C@](C)(O)[C@@H]1CCC(C)=CC1=O 102927817 MMCHYQXMIUOBDF-DTXAQAKCSA-N 334.456 3.286 30 1 EGEF C#C[C@@H]1CN2CC[C@H]1C[C@H]2CNCc1cccc(OC(F)(F)F)c1 2356300881 UTBAUVWDTMPACI-PMPSAXMXSA-N 338.373 3.018 30 1 EGEF N#Cc1ccc(-c2nc(N)c3cc(CN4CC=CC4)sc3n2)cc1 118605598 OPEZERINHDFXCD-UHFFFAOYSA-N 333.420 3.184 30 1 EGEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@@H]12 2356633143 YXTOBXGODMEKLL-HSSOGYSNSA-N 332.440 3.317 30 1 EGEF C=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@@]2(C)[C@H]1C(=O)OC 2356751487 JPADKMRYWFMXNT-UNFPFYSMSA-N 346.423 3.380 30 1 EGEF CCCCNc1c(CCCC)nc2ccc(/C=C/C(=O)NO)cn12 136784057 SXJKZNXSKKPHFU-PKNBQFBNSA-N 330.432 3.408 30 1 EGEF C[C@@H]1CC[C@@]2(C)[C@H](C[C@@H](O)[C@H]3O[C@]32C)[C@@]12C[C@H](c1ccoc1)OC2=O 238768470 QOAGNHHFFVPIMH-WJMMUUIOSA-N 346.423 3.229 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(OC)c(O)c(C(=O)O)c1 587903858 RQCAXPNOFUWRQG-UHFFFAOYSA-N 332.739 3.161 30 1 EGEF CC1(C)[C@@H]2CC[C@H]3CC=C[C@H]4C(=O)C(CCCCN=C(N)N)=C(C2)[C@@]341 85549655 IMITUHFENZVCJY-BEZKYQLSSA-N 341.499 3.328 30 1 EGEF biogenic,in-vitro CC1(C)NC(=N)NC(=N)N1c1ccc(C(=O)/C=C/c2ccccc2)cc1 653719611 RLJGFVZRMDXCKV-MDWZMJQESA-N 347.422 3.188 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1NC(=O)CN=O 587902894 RTJBJGAPGFVUOB-UHFFFAOYSA-N 328.755 3.453 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc(C(=O)O)c1 587904723 VKXZLXSUNCMFDR-UHFFFAOYSA-N 344.750 3.233 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cncc(N)c1Br 587908471 XGELVGZKWLYAPP-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF CS(=O)(=O)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)c(C#N)c2c1 587650540 NDQDCPFWVNBULB-UHFFFAOYSA-N 341.348 3.018 30 1 EGEF C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/[C@@](C)(O)CO)CC1=O 169369416 QYPUAWRQTMYIDE-MPGGUVFISA-N 334.456 3.239 30 1 EGEF C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@H]1C3 103144629 NSFLYGNWNATSHL-DURQJQQASA-N 332.440 3.190 30 1 EGEF COc1cc(/C=C/C(=O)COC(=O)/C=C/c2ccccc2)ccc1O 26573088 QRCLVAJLWBCHIE-NWABJRNTSA-N 338.359 3.240 30 1 EGEF CC=C1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356639011 AGSIHXUUMSXXHC-KHLWTMGVSA-N 332.484 3.486 30 1 EGEF CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(Cc3cccc(C#N)c3)C1)C2 2356711719 SASMTJDFDAHECY-ICSRJNTNSA-N 345.446 3.372 30 1 EGEF CC(C)/C1=C/[C@H](O)[C@](C)(O)CC/C=C(\CO)CC[C@@H]2O[C@@]2(C)CC1 199857789 CTMXVBYCUXIQDP-OOPIJYLLSA-N 338.488 3.111 30 1 EGEF C/C=C1/CN2[C@H]3C[C@@H]1[C@H](C=O)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12 85847180 COPJPVKUCSLNNG-MBJKCFRWSA-N 336.435 3.250 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C)C[C@H](OC(=O)CC(C)C)[C@@H]12 238760372 ZEPVGWURVYMKCE-ZYUQQBGISA-N 348.439 3.091 30 1 EGEF C/C(=C/C/C=C(\C)CO)[C@H]1CC[C@@]2(C)OC3=C(C[C@H]12)C(=O)CC[C@H]3O 238750463 LTAKJWJITPBCJA-PLSNKNSYSA-N 346.467 3.445 30 1 EGEF O=C(CCCCCCc1nc2ccc(-c3cncnc3)cc2[nH]1)NO 96914759 XXEIHTUUAHJENK-UHFFFAOYSA-N 339.399 3.018 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C)c2c1C(=O)C(=O)N2 587910028 HUGQLAVHAZJIHI-UHFFFAOYSA-N 325.751 3.192 30 1 EGEF COC(=O)c1cc(C)c(N)c(C#Cc2cc(Cl)ccc2OC)c1 587900489 RCICZZFOHNDVCH-UHFFFAOYSA-N 329.783 3.426 30 1 EGEF CC1=[N+](C)N(c2ccccc2)C(=O)[C@@H]1/N=C/c1ccccc1Cl 18009581 DEWPWDDDYVSIMY-XNHPLOEXSA-N 326.807 3.193 30 3 EGEF O=C1C=CC=C/C1=C(/S)N1CCN(c2cccc(Cl)c2)CC1 103811682 NZKXJOYWJKCHLE-ICFOKQHNSA-N 332.856 3.299 30 3 EGEF C=C1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@](C)(OC(C)=O)[C@@H]1C[C@H]3O 2356471746 YHGKYRGXTZRNMD-YRFCBLNGSA-N 346.467 3.421 30 1 EGEF CC(C)(O)C=CC[C@@]1(C)O[C@@H]1COc1ccc2ccc(=O)oc2c1 2356562952 KPHAWSGLVQWJHP-VQIMIIECSA-N 330.380 3.047 30 1 EGEF C=C[C@]1(C)CC[C@]2(C)[C@H](C[C@H](O)[C@]3(C)[C@@H]2C=C(O)C(=O)[C@@]32CO2)C1 5395867 YGXZAAJJEMEZOB-ZNTWHAHVSA-N 332.440 3.166 30 1 EGEF biogenic C=CCN1[C@H](Cc2ccccc2)COc2cc(F)ccc2S1(=O)=O 96020536 YWMLKISFNGBDDA-MRXNPFEDSA-N 347.411 3.006 30 3 EGEF COc1cc2c3c(c1)O[C@](CC#N)(c1cc(Cl)ccn1)[C@@H](C2)C3=O 587418487 IECRJEPKQJJCHM-UGSOOPFHSA-N 340.766 3.300 30 1 EGEF CC(C)c1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc1 13683330 FDFDPHXLYVUUEH-UHFFFAOYSA-N 326.417 3.448 30 1 EGEF C=C1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 15155119 WQEZWMOABWIAIU-XAMWDVODSA-N 340.375 3.484 30 1 EGEF C[C@]12CC[C@H]3[C@@H]([C@H](N4CC4)CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O 1857622803 TVLJGVSJCIAMRD-KCTPXNJMSA-N 329.484 3.173 30 1 EGEF Cc1coc2c1C[C@]1(C)[C@H](CC[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@H]1C)C2=O 2356427727 LESDSDOYPJTSBW-VVCJYACQSA-N 346.423 3.468 30 1 EGEF O=C1C=CC=C/C1=C1/C[C@@H](c2cccs2)N(C(=O)c2ccco2)N1 103782218 AVRGPEFCLJRMLR-FNDVETGQSA-N 338.388 3.382 30 3 EGEF C[C@H](O)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356416354 QQBDYFZYYLDLJW-ZTZYIRAPSA-N 332.484 3.486 30 1 EGEF C[C@@H](O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]12CO 1857536586 SVWJFFROLUZTEH-XKYJNZNXSA-N 332.484 3.488 30 1 EGEF Cc1ccc(S(=O)(=O)N[C@]2(C=O)CCC[C@H]3CCCC[C@H]32)cc1 105473925 MNWXOSNCJLKFNN-NXHRZFHOSA-N 335.469 3.201 30 1 EGEF CC(C)=CCC(=O)[C@]1(O)C=C(C(=O)C(C)C)C(=O)[C@H]1CC=C(C)C 59064675 PUGYKQZROLGNEF-UZLBHIALSA-N 332.440 3.350 30 1 EGEF in-vitro C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@H]3CCC(C)=CCCC(=C)[C@H](O)C[C@@H]12 2356789725 DPOVKCOROWWUOF-MUPNANLLSA-N 332.440 3.459 30 1 EGEF Cc1ccc(/C(=N/O)N2CC=CC2)c(OCc2ccccc2F)n1 72103706 PEHJMHPYDRKJJU-FXBPSFAMSA-N 327.359 3.116 30 1 EGEF CC(=O)NCCSC(=O)/C=C/c1ccc(OCC=C(C)C)cc1 40380627 XTHZRUQOVQTXRK-RMKNXTFCSA-N 333.453 3.441 30 1 EGEF CN1CC[C@@H](CN(Cc2ccccc2)Cc2ccccc2C#N)OC1=O 40762855 XSXWZRWXEGHSEB-FQEVSTJZSA-N 349.434 3.401 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(-c2nc(=O)o[nH]2)cc1 587906373 CMAYQRPSWWWXLJ-UHFFFAOYSA-N 326.739 3.092 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C(=O)O)cc(F)cc1[N+](=O)[O-] 587917058 YSWPKWYISCXVEI-UHFFFAOYSA-N 349.701 3.494 30 1 EGEF C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/[C@@](C)(O)CO)C[C@H]1O 169292899 NWBHMZVDIALTDH-NJEACODJSA-N 336.472 3.031 30 1 EGEF C=C1CC/C=C(\C)C[C@@H]2OC(=O)C(=C)[C@H]2C/C=C(/CO)CC[C@@H]1O 200223607 BNELYNVRKNPZHR-LVXWKFOESA-N 332.440 3.221 30 1 EGEF C=CCO/C(O)=C1\C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccccc1 101684035 QHKUIFVXVNUYHH-LVLBFHFTSA-N 339.351 3.098 30 1 EGEF C=C[C@]1(C)CC2=CC[C@@H]3[C@](C)(C(=O)O)C[C@H](O)C[C@]3(C)[C@H]2C[C@@H]1O 2356677046 FADJIPYNWIKCST-DZAVYMGKSA-N 334.456 3.148 30 1 EGEF C[C@H]1C(=O)N(C2CCCCCC2)C[C@@H]1COc1ccc(C#N)cn1 36286287 IBXCUSPLUKIYBX-GDBMZVCRSA-N 327.428 3.149 30 1 EGEF CCCNC(=O)N1[C@H](C#N)[C@@H](c2ccccc2C2=CCCC2)[C@@H]1CO 95867970 JAWDJMGGZOQHNH-CEXWTWQISA-N 339.439 3.026 30 1 EGEF C=C[C@H]1C[N+]2(C)CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1CCO 238766886 LUHFRCKXBNTTRB-RZNGBNKESA-O 327.448 3.122 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnccc1F 587894336 ZFUDMSXKUUKEOU-UHFFFAOYSA-N 337.181 3.238 30 1 EGEF CCCc1c(O)ccc2c1O[C@@](C=O)(c1ccc(O)cc1)CC2=O 587484082 RRJKOGYSRSXDFZ-IBGZPJMESA-N 326.348 3.110 30 1 EGEF CC(=C[C@@H]1CC(C)=CC(=O)O1)CC[C@@H](O)[C@@H](C)C1=CC(=O)C(C)(C)O1 2356520394 LERGMWGUWISZLW-BZUAXINKSA-N 348.439 3.234 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CC[C@H](O)C(C)=CCC[C@]3(C)O[C@H]3C[C@@H]12 2356713080 YCCCRENEMRGDOO-JNIAIEOXSA-N 332.440 3.459 30 1 EGEF C=C(C)[C@]1(O)CCC2=C3O[C@@](C)(CCC2=O)[C@H](O)CCC(C)=C[C@@H]31 2356799764 UVBDNFDYDHBUDB-MFHCWRBVSA-N 332.440 3.197 30 1 EGEF C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H](O)OC1=O 140131873 BRFJVBBXHPOREF-LJNYPVSQSA-N 332.440 3.114 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)CC/C(C)=C/[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238774660 DRIVTODYQLWPNZ-OTZSNHABSA-N 346.423 3.010 30 1 EGEF C=C1C(=O)O[C@H]2C=C(C)C[C@@H]3C=C(CC[C@H]4O[C@@]4(C)CC[C@H]12)C(=O)O3 299806648 GKZBZZYALRNEFE-XDCWJTEKSA-N 344.407 3.004 30 1 EGEF COC(=O)Nc1ccc(-c2nc3c(C#N)nc(Cl)cc3[nH]2)cc1 587243200 FQNVPOWQFGENAW-UHFFFAOYSA-N 327.731 3.328 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CS(C)(=O)=O)cc1 587917717 RDIOOYMATPRQSV-UHFFFAOYSA-N 334.824 3.293 30 1 EGEF C#Cc1cccc2c1[C@]1(NCCc3c(Cl)cc(Cl)cc31)C(=O)N2 963106305 KSWHMGPFPGNDGC-SFHVURJKSA-N 343.213 3.316 30 1 EGEF CCc1ccc(/N=C2\S[C@H](Cc3ccnc(N)c3)C(=O)N2C)cc1 1772646771 JEGMTPLIFSTUJN-XAIYEJPOSA-N 340.452 3.030 30 1 EGEF O=C(O)c1cc(NC(=O)[C@@H](CS)Cc2ccc(Cl)cc2)c[nH]1 11688238 OYGDRNZBZVKNJL-SNVBAGLBSA-N 338.816 3.094 30 1 EGEF C[C@H](C(=O)O)n1c(/C=C/c2ccc(C#N)cc2)nc2ccccc2c1=O 1857534531 XFMPIWMEQHINFI-OCHBPSSRSA-N 345.358 3.084 30 1 EGEF COC1=C(c2ccccc2)C(=O)[C@](O)(CC(C)=O)C(c2ccccc2)=C1 2356690716 HLMIOVVAXKAAMF-QFIPXVFZSA-N 348.398 3.421 30 1 EGEF C=C1CC[C@@H]2C(=CC=CC(C)(C)O)COC(=O)[C@@H]2C(=C)CC[C@@H]1O 2356712646 JSQQYBKNOUUYPJ-FGTMMUONSA-N 332.440 3.076 30 1 EGEF O=C1Nc2ccc(Br)cc2/C1=C\C(=O)c1cccnc1 71341449 SMTHKUIIZITEFW-KPKJPENVSA-N 329.153 3.063 30 1 EGEF C=C(C)[C@H]1O[C@@H]1c1c(OC[C@H]2OC2(C)C)ccc2ccc(=O)oc12 49785024 UGERORSNMILQIE-MZMPZRCHSA-N 328.364 3.365 30 1 EGEF C[C@H](C=O)CCCCCCCCCC/C(=C/C(=O)O)CN=C(N)N 85510449 FGQSTEPCOKUMHJ-JORMNFRLSA-N 339.480 3.007 30 1 EGEF biogenic,in-vitro COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccn1 587885101 VUIUEVHHNJOKPD-UHFFFAOYSA-N 349.217 3.107 30 1 EGEF Cc1cc2ccc(OC/C=C/C3=CC(=O)C(C)(C)O3)cc2oc1=O 13819828 CHXMFWDKTPCGAG-SNAWJCMRSA-N 326.348 3.298 30 1 EGEF COc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2OC)cc1OC 207198807 RATSETULRWHTEN-GQCTYLIASA-N 330.336 3.020 30 1 EGEF COC(=O)Cc1nn(-c2ccccc2)c(O)c1/C(C)=N/c1ccccc1 101756771 LNUQWRLIRCUOGK-KGENOOAVSA-N 349.390 3.434 30 1 EGEF COc1ccccc1/C(=N/O)c1ccnc(Nc2ccc(C#N)cc2)n1 103188452 KXQASYWSNKESGW-MOHJPFBDSA-N 345.362 3.327 30 1 EGEF C=C1C(=O)O[C@H]2[C@H]1C[C@H]1O[C@@]1(C)CCC=C(C)CCC=C(C)[C@H]2O 2356583062 HVJGVUTXXJGUKC-JAYZULETSA-N 332.440 3.459 30 1 EGEF C[C@H](CC=CC(C)(C)O)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@H](O)CC3 2356861232 UGVHYWGUKVKPFV-SJBXNIEPSA-N 346.467 3.443 30 1 EGEF Cc1cccc(C)c1Oc1ccc(=O)n(Nc2cccc(C#N)c2)n1 72118060 ZDKMENWCNLYXAF-UHFFFAOYSA-N 332.363 3.399 30 1 EGEF C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12 238780808 ZHNTWXWAMWPYNI-AEKZUTCHSA-N 332.440 3.076 30 1 EGEF CC(C)(C)n1nnc2c1CC[C@@H](c1nc(-c3ccc(C#N)cc3)no1)C2 653757370 JRDUPVUUUYSETR-CQSZACIVSA-N 348.410 3.227 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc([C@H](CN)N(C)C)c1 587904560 PUYSMKGLNOJEGE-SFHVURJKSA-N 328.843 3.310 30 1 EGEF O=C(NO)c1ccc(Sc2nnc(-c3ccccc3)s2)cc1 1857565224 QEYBQQFZJQVMRH-UHFFFAOYSA-N 329.406 3.475 30 1 EGEF C[C@@H]1[C@@H]2CC=C3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32[C@H](O)N1C 2356382309 VZECFJJIDYGXAI-NGESLJTNSA-N 339.479 3.463 30 1 EGEF CC/C(=N\OC)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F 28976994 ORRXZJLRGPQHCD-CXUHLZMHSA-N 344.742 3.362 30 1 EGEF O=C(NO)c1ccc(-c2cccc(CNCc3ccccc3)n2)s1 40764315 CFWMQSHMCBIHAZ-UHFFFAOYSA-N 339.420 3.219 30 1 EGEF CCCNC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2)[C@@H]1CO 95668221 XWTXVLPDFLGDHX-AABGKKOBSA-N 349.434 3.125 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)cn1 587895300 FDYFXLWXBSZDBQ-UHFFFAOYSA-N 337.181 3.238 30 1 EGEF CC1(C)OC(=O)C[C@@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 586906660 OYGPTBQBZSPOOF-MRVPVSSYSA-N 334.173 3.006 30 1 EGEF N#CCCn1nnc(-c2ccc(OCc3cccc(Cl)c3)cc2)n1 3800985 CJRBQVCIDSDTGK-UHFFFAOYSA-N 339.786 3.486 30 1 EGEF C=CCN1CC[C@@]23CC(=O)C[C@H](C)[C@H]2[C@H]1Cc1ccc(OC)cc13 101481092 VFXSXBAGAAWZPC-MGNXDGSBSA-N 325.452 3.365 30 1 EGEF C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO 2356464792 TZGCPIWXEWYCLJ-QWSDNZPMSA-N 328.452 3.472 30 1 EGEF CC=C(C)C(=O)Oc1ccc(OC(=O)[C@]2(C)O[C@@H]2C)c([C@H]2O[C@H]2C)c1 2356828705 IKALAAUPDYFZAW-YFZTVDGESA-N 346.379 3.101 30 1 EGEF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@@H]1C/C(=N/O)C2=O 73258910 KINBHFUHBUNAOF-HUPWQWEESA-N 343.427 3.351 30 1 EGEF COc1cccc(/C=C2\CNC/C(=C\c3cccc(OC)c3)C2=O)c1 39326804 PDYUNTKNISUYSH-BEQMOXJMSA-N 335.403 3.343 30 1 EGEF COc1cc(C(=O)/C=C/c2cc(O)ccc2O)cc(OC)c1OC 45393126 HKALQMVIWHLCLU-GQCTYLIASA-N 330.336 3.020 30 1 EGEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)C(C)=CCC=C(C)CC[C@@H]2O 299807106 OASCGMGKXPPAEW-DOADOZAASA-N 334.456 3.443 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1[C@H](CN)N(C)C 587901582 JOFGWUUQGSEHSB-SFHVURJKSA-N 328.843 3.310 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncs1 587898846 NMYFOQHOEMGOGS-UHFFFAOYSA-N 325.220 3.160 30 1 EGEF CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)CC#N)cc2)cc1 169706238 PZWLHEXDMDHJGC-QGZVFWFLSA-N 346.430 3.446 30 1 EGEF N#Cc1cc(-c2c[nH]c3ncccc23)cc(N[C@H]2CC[C@H](O)CC2)n1 101659282 SQJXCRCSAJZPMM-OTVXOJSOSA-N 333.395 3.212 30 1 EGEF CC1(C)[C@H]2O[C@H]2[C@H]2[C@@]3(C)O[C@H](C[C@@]45C=C[C@@H](C[C@@H]34)[C@](C)(O)C5)[C@]21C 1857566728 ZMXXEYHEUCONOI-ZJIJJNRCSA-N 330.468 3.311 30 1 EGEF N#Cc1c(O)nc(N2CCc3ccccc3C2)nc1-c1ccc(F)cc1 8553835 VVDBOPNOPFSKIP-UHFFFAOYSA-N 346.365 3.423 30 1 EGEF COc1ccc(OC)c(-c2cc(-c3ccccc3O)[nH]c(=O)c2C#N)c1 29549037 VBQYTBPOWJNQBQ-UHFFFAOYSA-N 348.358 3.303 30 1 EGEF C=C[C@@H]1CN2CCc3c([nH]c4cc(OC)ccc34)[C@H]2C[C@@H]1CCO 2356481046 BEVQVISXDWONSY-BIENJYKASA-N 326.440 3.280 30 1 EGEF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@H]1C/C(=N/O)C2=O 33940398 KINBHFUHBUNAOF-SFWGAJRJSA-N 343.427 3.351 30 1 EGEF C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C(CO)=C[C@]4(C)[C@H]3CC[C@@]21C 140289067 KVINKXWDTJUXKW-LHZXLZLDSA-N 340.463 3.021 30 1 EGEF COc1ccc(C(=O)/C=C/c2ccc(C(=O)NC(C)C)cc2)c(O)c1 96921677 LJZLTBHRNCHACW-IZZDOVSWSA-N 339.391 3.435 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(S(C)(=O)=O)ccc1C 587917358 HXIPTMXCIWUHAU-UHFFFAOYSA-N 334.824 3.460 30 1 EGEF COc1cc2c(cc1OC)[C@@](CC#N)(c1ccco1)N(C)[C@H](C)C2 962634805 LUZWFTPYOMCBQI-YJYMSZOUSA-N 326.396 3.330 30 1 EGEF N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccc2c(c1)OCO2 200841237 GQEHYDZYKQSJTM-UHFFFAOYSA-N 348.314 3.148 30 1 EGEF Cc1cc(F)cc(C)c1Nc1nc(=N)nc(Nc2ccc(C#N)cc2)[nH]1 1857768373 QHGHFQLLDDOCGU-UHFFFAOYSA-N 349.373 3.399 30 1 EGEF C=C(C)[C@@H]1O[C@@H]1c1c(OC[C@@H]2OC2(C)C)ccc2ccc(=O)oc12 2356375177 UGERORSNMILQIE-QANKJYHBSA-N 328.364 3.365 30 1 EGEF CC(=O)c1cccc(NC2=C(Cl)C(=O)c3ccncc3C2=O)c1 28642231 NZUOHBVBUWMFAW-UHFFFAOYSA-N 326.739 3.226 30 1 EGEF COc1ccc([C@H](C#CCOc2ccccc2)N2CCOCC2)cc1 20807031 LADCVXNVRSSFJT-NRFANRHFSA-N 337.419 3.151 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)OC 2356559641 GKRMJALKMNRHGF-OZLUZYOVSA-N 330.424 3.254 30 1 EGEF Cc1ccsc1C(=O)N1CC[C@@]1(C)C(=O)Nc1cccc(C#N)c1 61895617 YKEXPVGFTYMOJO-SFHVURJKSA-N 339.420 3.172 30 3 EGEF C=C1C[C@@]23C[C@H]1CC(=O)[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 2356679922 MNWSIPXSEQTSPP-LAQMBDNISA-N 346.423 3.140 30 1 EGEF CC(C)CCc1c(OCCCCC(=O)NO)ccc2c1OC(=O)CC2 72181084 PGKHQKXYZJECTA-UHFFFAOYSA-N 349.427 3.181 30 1 EGEF C/C=C(/C)C(=O)O[C@]12C(=O)[C@]3(C(=O)C(O)=C1C)[C@@H](CC[C@H]3C)C2(C)C 238762565 CNSCLIJSQQBULZ-FQXQSDJVSA-N 346.423 3.291 30 1 EGEF C[C@@]1([C@H](O)CO)CC[C@@]2(C)[C@@H]3CCC(=O)/C(=C\O)[C@]3(C)CC[C@@H]2C1 238734139 VEHQOXOBKPFBHP-WRMVKCNZSA-N 336.472 3.373 30 1 EGEF CC(C)(C)c1cc(C(=O)/C(C#N)=N/Nc2cc(F)cc(F)c2)no1 473111399 ZEKPYXZXEDHMRU-FYJGNVAPSA-N 332.310 3.425 30 1 EGEF COc1ccc(/C(COc2ccc3oc(=O)ccc3c2)=N/O)cc1 653795680 USTIZKQUNMNEMP-KNTRCKAVSA-N 325.320 3.059 30 1 EGEF CC(=O)N(C(C)=O)c1nc(-c2ccccc2)cn1/N=C\c1ccccc1 13113594 JITLJXOHFNJCNJ-BKUYFWCQSA-N 346.390 3.332 30 1 EGEF C/C1=C/C=C(/[C@@](C)(O)CO)CC(=O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1 169369415 QYPUAWRQTMYIDE-JYEOFZJASA-N 334.456 3.239 30 1 EGEF C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C=C[C@]2(C)[C@H](C(=O)CO)CC[C@H]12 1857536020 PQNWXGPSXYSRRL-QWSDNZPMSA-N 328.452 3.472 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C(=O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 104370397 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3.250 30 1 EGEF CCCC[C@](O)(C#C[C@@]1(OC)CN2CCC1CC2)c1ccccc1 28563151 DVSLSPWSCJLOGG-LEWJYISDSA-N 327.468 3.179 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(CO)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356628977 NMFLQFIFJRTHHO-KZNAEPCWSA-N 346.423 3.011 30 1 EGEF CCc1ccc(Oc2ncccc2/C(=N/O)N[C@H](C)COC)cc1 72180347 KKXRNIQKIWNJOU-CYBMUJFWSA-N 329.400 3.197 30 1 EGEF C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C[C@@H]3O 72136040 VVTDDOIRDLEBIN-IMNRJIOJSA-N 332.440 3.190 30 3 EGEF C=C1C(=O)C(O)=C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)(C(=O)CO)CC[C@@]12C 238748673 VUBVLRJKVTZJLO-DYWRSEPTSA-N 332.440 3.358 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C/CC/C(C)=C/[C@H](O)C[C@@H]2C 299877040 GQTPRLWQZDUWKJ-ARJMTFGDSA-N 334.456 3.299 30 1 EGEF COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@@H](C)C#N)cc1)[C@@H](C2)C3=O 587428318 NSBDRRYHHDDWMK-QUGJLEDBSA-N 335.359 3.475 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(N)ccc1N1CCOCC1 587901688 NJDXBKYAGYWRQQ-UHFFFAOYSA-N 342.826 3.167 30 1 EGEF N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587588831 SMEJAUVPAJZUQF-PXNSSMCTSA-N 344.326 3.362 30 1 EGEF CC1=CC(=O)C=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587824615 XTXMPMAPPBFILS-QFYYESIMSA-N 336.204 3.403 30 1 EGEF O=C(NO)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2)c1 1772588091 PHEWDXYTRTUNJV-UHFFFAOYSA-N 325.151 3.365 30 1 EGEF C=CCOc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](O)[C@H](O)[C@@]3(C)CC[C@@H]21 17310816 GVKVGOGUDSJCLX-ZJKGHYPUSA-N 328.452 3.439 30 1 EGEF C/C=C1\C(=O)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 206310760 SNBODTQYFCSFKC-ISHOUUTFSA-N 332.484 3.486 30 1 EGEF O=C(O)[C@@H]1CCN(CCO/N=C/c2cccc(-c3ccccc3)c2)C1 1857560653 FKKSSWRRHUQJOT-KNGGAZFVSA-N 338.407 3.111 30 1 EGEF COc1cccc([C@@H]2C3=C(NC(=S)N2C)c2ccccc2C3=O)c1 101466586 UOCMRDFQMNTZKK-QGZVFWFLSA-N 336.416 3.164 30 1 EGEF COC1=C(OC)C(=O)/C(=C2\NNC(C)=C2c2ccc(Cl)cc2)C=C1 104029556 WDYKCLXVZYPOIR-SSZFMOIBSA-N 344.798 3.076 30 3 EGEF COC1=C/C(=C/c2c(-c3ccccc3)[nH]oc2=O)C=C(Cl)C1=O 100510586 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EGEF CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccc(O)c(OC)c1 653907631 SIXFUPOGRIPKDE-WJDWOHSUSA-N 345.332 3.332 30 1 EGEF N#Cc1cnn(-c2ncnc3cc(-c4ccc(F)cc4)sc23)c1N 957656331 OQMWXJVNYTWVFX-UHFFFAOYSA-N 336.355 3.137 30 1 EGEF O=C(N=C1CCN(c2ccc(Cl)c(Cl)c2)N1)c1ccccn1 1857545555 VTGGCGPTZWQYQY-UHFFFAOYSA-N 335.194 3.342 30 1 EGEF C[C@@H](O)[C@@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356541872 OVQSVMZESAVYPN-MUBWTCJUSA-N 332.484 3.486 30 1 EGEF C=CC(=C)[C@H]1[C@@H]2CC(=O)O[C@@H](CC=C(C)C)C2=CO[C@@H]1OC(C)=O 217017487 VJHRYODKPASJPU-TWKWOARYSA-N 332.396 3.436 30 1 EGEF C/C1=C/C=C(\C(C)C)C(=O)[C@@H](O)[C@H](C)CCC(=O)[C@H](CO)CCC1 141445472 PTPYXTLRNJFEMB-WXDAAYECSA-N 336.472 3.223 30 1 EGEF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1O 587885139 BKINRXMXNHJPHH-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF Cc1c(Br)cnc2[nH]c(-c3cc(O)cc(C#N)c3)nc12 587189772 DQJGDNRVRCPFGC-UHFFFAOYSA-N 329.157 3.273 30 1 EGEF C1=CC2=NC(N/N=C/c3ccnc4ccccc34)=C3CC=CN3[C@@H]2C=C1 1772584596 WDAWARYCHWGIOT-IXOWOOARSA-N 339.402 3.496 30 1 EGEF C=CCN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2cscc21 5852497 FQGQCZCSOQZSFB-UHFFFAOYSA-N 334.422 3.065 30 1 EGEF C/C(Cc1ccc2c(c1)OCO2)=N\N=c1\sc2ccccc2n1C 5596281 WUIUEJAHVQHSOR-WMNPJARVSA-N 339.420 3.488 30 1 EGEF COc1cccc2cc3c(cc12)[C@]1(C)CC[C@@H](O)[C@@H]2COC(=C21)C3=O 2356435089 QJSFVVLTMIIKEG-PXARDIRTSA-N 336.387 3.358 30 1 EGEF CC(C)OC(=O)C(=O)/C=C(\O)c1cccn1Cc1ccc(F)cc1 101063298 FPWXTBDMKQRXOR-YBEGLDIGSA-N 331.343 3.095 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC(=O)C[C@H]2C)[C@@H](O)[C@@H]1OC(=O)C(C)=CC 2356515029 WVTQOHPHJQZYSY-NNCCGUNWSA-N 334.456 3.443 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)C(C)=CC)[C@H](O)[C@@H]12 2356553254 SLFNZRXROGKMKG-XDNAFOTISA-N 346.423 3.010 30 1 EGEF CC(=O)OC=C(C)C1=C[C@]2(C)C(=CC1=O)[C@H](OC(C)=O)CC[C@@H]2C 2356554706 VUQSDTNBGZBQBW-RQUSPXKASA-N 332.396 3.257 30 1 EGEF C=CCN=c1[nH]c2c(s1)C[C@]1(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]1[C@H]2C 2356645954 KUCHAKYMINHPEX-OCDKFLRKSA-N 346.496 3.417 30 1 EGEF CCOc1ccccc1Oc1ncccc1/C(=N/O)N1CCN=C1C 72102272 DVQOYYVQOROZCS-FXBPSFAMSA-N 340.383 3.142 30 1 EGEF COc1cc([C@@H]2O[C@H]2C(=O)c2cc(C)cs2)cc(OC)c1OC 1857584028 YFPYJMYDMUNFOO-RDJZCZTQSA-N 334.393 3.405 30 1 EGEF CC1=C[C@@]2(O)C(=O)[C@H](C)CCC(C)(C)[C@H]3CC[C@@](C)(C=C2C1=O)O3 2356420500 DIFCOVWODQVBLT-UBQOGQGLSA-N 332.440 3.136 30 1 EGEF C[C@]1(C(=O)Nc2cccc(C#N)c2)CCN1C(=O)CCc1ccccc1 61930172 CGYVWXLOAPJZGP-OAQYLSRUSA-N 347.418 3.121 30 3 EGEF CSCCN/C(=N\O)c1ccc(C)nc1Oc1cccc(F)c1 72186210 QSYISFNVZQFVMT-UHFFFAOYSA-N 335.404 3.410 30 1 EGEF CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(-c2ccsc2)cc1 584904962 MHNLFRWKFJGARR-CQSZACIVSA-N 332.425 3.124 30 1 EGEF in-vitro N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587588830 SMEJAUVPAJZUQF-FXAWDEMLSA-N 344.326 3.362 30 1 EGEF COC(=O)c1ccc([N+](=O)[O-])cc1C#Cc1cc(Cl)ccc1OC 587901826 VNHOAKVXNJWOSU-UHFFFAOYSA-N 345.738 3.443 30 1 EGEF C[C@H](C#N)C[C@@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962663224 JJGBMSBVPMJKAX-QTJFZDIUSA-N 337.423 3.098 30 1 EGEF C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3cc(O)c(O)cc3oc12 15121024 FJCLLPPQHWALHG-UHFFFAOYSA-N 328.320 3.232 30 1 EGEF biogenic,in-vitro COC1=C/C(=C/c2c(-c3ccc(Cl)cc3)[nH]oc2=O)C=CC1=O 100509955 BNCAVJKVKUURAA-CSKARUKUSA-N 329.739 3.341 30 3 EGEF C[C@@H]1CC[C@H]2[C@H](C[C@H]3C[C@]2(O)C2=CC(=O)[C@H]4CCCC[C@@H]4[C@H]23)N1C 238755979 ATJYANLRBFNIEG-DGFYGCQESA-N 329.484 3.172 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(/C)C(=O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 238761662 FKDIIXZIKCNXAT-CWSQDADZSA-N 344.407 3.218 30 1 EGEF C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@@]1(O)[C@@H]1OC1(C)C 238749660 VXYOXKDSQQPXPF-RLLQIKCJSA-N 342.391 3.095 30 1 EGEF CCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(C)c2)[C@@H]1CO 95667369 FRJATLFDSIFXLK-DYXWJJEUSA-N 334.419 3.251 30 1 EGEF Cc1ccc(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1C(F)(F)F 587095808 VZEZPAQMMOZHSH-UHFFFAOYSA-N 342.284 3.014 30 1 EGEF CCS(=O)(=O)c1ccc2nc(-c3ccc(C#N)c(F)c3)[nH]c2c1 587142954 HUMZAPCXDDYCEJ-UHFFFAOYSA-N 329.356 3.034 30 1 EGEF Cc1nc2[nH]c(-c3ccc(N)c(C#N)c3)nc2cc1Br 587248666 DTHSZKMUHXHCEQ-UHFFFAOYSA-N 328.173 3.150 30 1 EGEF COC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c(C)c1N 587899444 DEPXGKMYDKDFBW-UHFFFAOYSA-N 329.783 3.426 30 1 EGEF C=CC[C@]1(CNC(=O)OCC)c2ccc(F)cc2C[C@@H]2CCCN21 963095013 BYLGOJQBPHSTDW-LPHOPBHVSA-N 332.419 3.364 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H](O)C(C)=CCCC(C)=CCCC(CO)=CC[C@H]12 2356394849 IAWHPIHHKZYGDC-QYZOEREBSA-N 332.440 3.221 30 1 EGEF O=C(C[C@@H]1Sc2ccccc2N(CCC2CCCCC2)C1=O)NO 29248014 AMFGMQJPZJSMRY-INIZCTEOSA-N 348.468 3.360 30 1 EGEF C[C@]1(CO)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13C=C(CC=O)[C@@H](CC[C@@H]21)C3 2356682698 QIILVVQSUDKWRM-XRIPXXCGSA-N 332.484 3.488 30 1 EGEF C[C@@H]1C(=O)C=C2C(=O)[C@@H]3O[C@]3(C)CC[C@@H]3O[C@]3(C)CC[C@@]1(C)[C@@H]2C 2356709386 BCVHIFLJKAWFDN-SCCHUKBZSA-N 332.440 3.232 30 1 EGEF CC(=CCO)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@H](C)[C@]13C 2356780729 GEHSMLAJCBNTPU-SWSAAOHUSA-N 346.423 3.241 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCCC(CO)=CCC[C@]3(C)O[C@@H]3C[C@@H]12 2356803001 WQBZQSVRVUHGCG-XFKSJGNHSA-N 332.440 3.461 30 1 EGEF CC1=NN(C)[C@H]2[C@H]1N/C(=N\c1c(C)cccc1Cl)c1cnc(C)n12 36187621 VVCCPVFLCHZEGL-DOTOQJQBSA-N 342.834 3.023 30 1 EGEF CCN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(C#N)cc1 82158971 ISWIBQLSOWRELG-UHFFFAOYSA-N 349.438 3.097 30 1 EGEF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 587785102 LJJJCBWNCMDASW-JKSUJKDBSA-N 342.358 3.250 30 1 EGEF C#CCOc1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 587563847 LOAFLMTZMBCARG-UHFFFAOYSA-N 328.169 3.399 30 1 EGEF N#Cc1ccccc1SCc1nc2nc(Br)c[nH]c-2n1 586965465 XYEBERVJOBNXHN-UHFFFAOYSA-N 346.213 3.231 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1-c1noc(CN)n1 587902271 BVUOQXVHNOUWIY-UHFFFAOYSA-N 339.782 3.257 30 1 EGEF O=C(Cc1ccc(F)cc1)NC1=C(Cl)C(=O)c2ccccc2C1=O 1629473 UVROQTTYJPEGDK-UHFFFAOYSA-N 343.741 3.014 30 1 EGEF CC1(C)Oc2c(C(=O)C=Cc3ccc(O)cc3)ccc(O)c2C[C@@H]1O 2356473884 UGEVDAKDRYGXKU-SFHVURJKSA-N 340.375 3.068 30 1 EGEF CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C 2356542637 AGQDSDOJDGKJHC-VUTGALGSSA-N 332.484 3.486 30 1 EGEF C=CCS/C=C(/C)n1c(C(=O)c2ccc(Cl)cc2)noc1=O 45495832 OXBHIVWKCQSXGX-KTKRTIGZSA-N 336.800 3.458 30 1 EGEF C[C@H](CSc1ccc(F)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 587170845 FTQWOJVKMWCBDW-SECBINFHSA-N 338.371 3.131 30 1 EGEF N#Cc1cc(Br)c2[nH]c(-c3cc(N)c(N)cc3F)nc2c1 587135948 ITCHMBZHWBKMOD-UHFFFAOYSA-N 346.163 3.168 30 1 EGEF CCCCCCCC(=O)NCCCc1nc2cc(N)c(N)cc2[nH]1 587228043 GAEGBPWDQPMVKJ-UHFFFAOYSA-N 331.464 3.137 30 1 EGEF CCOc1cc(Br)cc(/C=N/c2ncccc2O)c1O 291230 FTCLTAXOTQVWEJ-CAOOACKPSA-N 337.173 3.405 30 1 EGEF O=C(CO/N=C\c1ccccc1OC(F)F)NCc1cccs1 12486148 VSICFUVRFHDXRY-UWVJOHFNSA-N 340.351 3.016 30 1 EGEF COc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)cc1O 168234855 IOOHDWLSBIIPCT-LUZURFALSA-N 338.359 3.361 30 1 EGEF C[C@]12CCC(=O)[C@]3(C)C(=O)O[C@H](C(=O)C=C1CCc1ccoc1)[C@]23C 2356679926 MPGNOYIYHJDRQQ-GSEOLPGOSA-N 342.391 3.029 30 1 EGEF COC1=C[C@H](C(=O)N2CCCC2)[C@H](C)[C@@H](c2ccccc2)CC1=O 36381828 ZMZVKUPDLOQCPL-PVAVHDDUSA-N 327.424 3.148 30 1 EGEF C=C1CC[C@@H]2[C@](C)(C=O)C(=O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 139626039 DJXIRLYJYNYTLN-WHCBKWPTSA-N 328.408 3.183 30 1 EGEF C=C[C@H]1C[N@@+]2(C)CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 261513258 SJTSZVLGFLZBFK-BHLLFJBSSA-N 339.459 3.318 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)N2CCCC2)nc1 587908537 ZUJYPIJKBGPOFY-UHFFFAOYSA-N 340.810 3.379 30 1 EGEF N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587586527 ISNSFTFPTFJBML-PXNSSMCTSA-N 344.326 3.362 30 1 EGEF COc1cccc(OC2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O)c1 13652345 GDQYHXHBUAOYQP-UHFFFAOYSA-N 346.722 3.015 30 1 EGEF N#Cc1c(N)nc(SCc2ccncc2)c(C#N)c1-c1ccco1 1857535816 XDDKKVMAZSJNOX-UHFFFAOYSA-N 333.376 3.354 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)CC(C)=CCC[C@@]1(C)O[C@@H]21 2356413543 CTGZTWRVWWXORU-CQQVFXFCSA-N 348.439 3.330 30 1 EGEF Cn1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21 66080133 CHKQRCNHKANTSK-UHFFFAOYSA-N 325.393 3.088 30 1 EGEF N#Cc1cccc(-c2nc(N3CCC(O)CC3)cc3cccnc23)c1 34059147 QCUDYPFUGBBWLV-UHFFFAOYSA-N 330.391 3.130 30 1 EGEF C=C1CC[C@@H]2[C@H]([C@@H]3C(COC(C)=O)=CO[C@@H](OC(C)=O)[C@H]13)C2(C)C 257568988 VNVDQMBBSOHHMO-ZKXLYKBJSA-N 334.412 3.207 30 1 EGEF C/C(CCc1ccc(OCc2ccccc2)cc1)=N\NC(N)=S 299868150 QZRKSIULMLZMQI-XSFVSMFZSA-N 327.453 3.407 30 1 EGEF CCOC(=O)c1nn(-c2cccc(Cl)c2C)c(OCC)c1C#N 587875292 CQGKMXTVPXTYTI-UHFFFAOYSA-N 333.775 3.281 30 1 EGEF C#CCOc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587402273 WRCFRCKTNUBCSO-GOSISDBHSA-N 337.375 3.304 30 1 EGEF CN1CC[C@@]2(CC1=O)c1ccccc1CCN2[C@@H](C#N)c1ccccc1 963186874 GZPIUVHJEKQMQI-RBBKRZOGSA-N 345.446 3.257 30 1 EGEF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\C#Cc1ccc(C)c(F)c1 169360344 LSHYSRPXQSYQAD-NCCZWDCXSA-N 339.410 3.068 30 1 EGEF CO/N=C/CCC(F)(F)c1ccc([C@@H](C)[S@@](C)(=O)=NC#N)cn1 103199364 ZEFPWRSXVTWVRD-RVLNDAECSA-N 344.387 3.226 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)C[C@@H](C)[C@@H](OC(=O)/C(C)=C\C)C[C@@H]12 238757770 DJGASAIKXNFYNL-AQAMVLBNSA-N 348.439 3.089 30 1 EGEF FC1(F)Oc2cc3nc(C=NOCc4ccccc4)[nH]c3cc2O1 587190883 UIQBWJLRPNPLIC-UHFFFAOYSA-N 331.278 3.435 30 1 EGEF O=C(CCC#Cc1ccc(O)cc1Cl)NC1=C(C(=O)O)CCCC1 1772614338 SHTLFPHNBFSPOG-UHFFFAOYSA-N 347.798 3.206 30 1 EGEF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=CCO 1857742012 SBMHTRUNPKWTLU-LEZSPFLNSA-N 330.468 3.408 30 1 EGEF C=C(C)[C@H](O)CC[C@H](C)CCC[C@H](C)CCC[C@@](C)(O)[C@@H](O)CO 2356675850 IJARVPWBFHJSRM-MFKWGIFDSA-N 344.536 3.421 30 1 EGEF C#CCN1C(=O)[C@]2(CC(C)=C[C@@H](C)O2)c2c(Br)cccc21 38142361 WGRYDSIFMAFLON-PXAZEXFGSA-N 346.224 3.379 30 1 EGEF N#C/N=C(/NCCCCc1c[nH]cn1)NCCCC1CCCCC1 48972078 MYYHJJQKWYFQTJ-UHFFFAOYSA-N 330.480 3.109 30 1 EGEF CCCC(=O)O[C@H]1CCC2=CC(=O)C([C@@H](C)C(=O)O)=C[C@]2(C)[C@H]1C 238735401 RHAVGGANRGGENU-NBJYGXEESA-N 334.412 3.291 30 1 EGEF CCCCCCCCNS(=O)(=O)C[C@@H]1NCc2cc(F)ccc21 96020257 UGUVCHUOPIVFNE-KRWDZBQOSA-N 342.480 3.250 30 3 EGEF C#Cc1cccc2c1[C@]1(C(=O)N2)c2ccc(F)cc2C[C@@H]2CCCN21 963106424 NAYOZNZOKFBDQF-KKSFZXQISA-N 332.378 3.023 30 1 EGEF C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cc2ccccc2n1C 17214869 HQWMFBYFDMCEDT-XMHGGMMESA-N 341.436 3.189 30 1 EGEF C=C1C(=O)O[C@H]2C=C(C)[C@@H](O)CC=C(C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 1857743227 QFINJHBXXJQKPB-UOQGAZEISA-N 346.423 3.010 30 1 EGEF C=C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 2356300680 OOHPTNLYNSKWCG-INWMFGNUSA-N 338.373 3.332 30 1 EGEF N/C(=N\c1nc(-c2ccccn2)cc2ccccc12)c1ncccn1 27554345 TYZFLLSZKCLELZ-UHFFFAOYSA-N 326.363 3.124 30 1 EGEF O=C1c2ccc(C#Cc3cccc(F)c3)nc2CCN1CC1CCC1 66074104 QZXGTLPVZURHKO-UHFFFAOYSA-N 334.394 3.419 30 1 EGEF C=C1CC[C@@H](C(C)=O)[C@H](OC(=O)C=CC(C)(C)O)C=C(C)CCC1=O 2356460477 WNLDPFSWPBREOU-FUHWJXTLSA-N 348.439 3.076 30 1 EGEF Cc1ccc2c(c1C(=O)C=CC(C)(C)O)C(=O)C(O)=C(C(C)C)C2=O 2356680391 HCMMKFNRHBDGCW-UHFFFAOYSA-N 342.391 3.352 30 1 EGEF C=C1CC[C@]2(O)C(=C)CO[C@H]2C=C(C)CC[C@@H](O)[C@@]2(C)CC[C@H]1O2 2356695536 LJAXIDCBOWLLHK-OBKDMQGPSA-N 334.456 3.048 30 1 EGEF NC(N)=NC(=O)c1oc(-c2cccc(Cl)c2)cc1N1CCCCC1 28822475 WQNUBLXCGYGAMW-UHFFFAOYSA-N 346.818 3.004 30 1 EGEF OC[C@H](O)C#CC#C/C=C\CCCCCC/C=C/Br 198646744 CLUHNURDRVTBII-QBOVHYABSA-N 325.246 3.152 30 1 EGEF Cc1cc(O)c2c(O)c(O)c(O)c3c2c1C1=C(C3=O)C(C)(C)[C@H](C)O1 238775113 HGVGAGVNFBEWSW-ZETCQYMHSA-N 342.347 3.323 30 1 EGEF Cc1[nH]nc2c1[C@H](c1cccc3nonc13)C1=C(CC(C)(C)CC1=O)N2 95872423 BNCJGNFYDWVDEN-HNNXBMFYSA-N 349.394 3.455 30 1 EGEF CN1C(=O)[C@H](CC(=O)NC2CCCCC2)SC1=Nc1ccccc1 252640220 YRMRLKJXSVNPGE-HNNXBMFYSA-N 345.468 3.087 30 3 EGEF COC(=O)N[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 253664084 KQOJYHVSRSWJQL-OPOMMLRYSA-N 345.439 3.176 30 1 EGEF C/C(=N\Nc1ncnc2sc3c(c12)CCC3)c1cc(O)ccc1O 1772621789 XTAGPRVWDBSUDE-AWQFTUOYSA-N 340.408 3.427 30 1 EGEF CC(C)C1=C[C@@]23CC[C@H]4C(C)(C)C[C@H](O)C[C@]4(CO2)C3=C(O)C1=O 1772584682 CPRUNGZHPSEUQK-WXJMYEGYSA-N 332.440 3.310 30 1 EGEF O=C(CCCCCCC(=O)c1ccc(Br)cc1)NO 13474408 RFYYZRFJBNAHCG-UHFFFAOYSA-N 328.206 3.478 30 1 EGEF in-vivo COC1=CC(=O)c2c(c(CO)c(-c3ccc4ccccc4c3)n2C)C1=O 13558517 MDCQDYDPOCNIET-UHFFFAOYSA-N 347.370 3.247 30 1 EGEF CC1(C)Oc2cc(O)c(C(=O)/C=C/c3ccccc3)c(O)c2C[C@H]1O 14615963 QEISUXVWYCBWPL-KBOKABMXSA-N 340.375 3.068 30 1 EGEF COc1ccc2c(=O)c(C#CCOC(=O)c3ccccc3)coc2c1 64549769 LAZXOBRWEUVKMD-UHFFFAOYSA-N 334.327 3.010 30 1 EGEF COc1ccc(/C=C2\NC(=O)C(/C=N/Cc3ccccc3)=C2O)cc1 22146983 VIDAMHVTJOFDBP-URUBZPSVSA-N 334.375 3.249 30 1 EGEF COc1ccc2c(c1)CCN1C3=C(C(=O)CCC3)C(=NO)[C@@H](C)[C@H]21 2356408206 XSIADMNIROSUHT-NSPYISDASA-N 326.396 3.081 30 1 EGEF C=C1CC[C@@H]2O[C@]2(COC(=O)C(C)=CC)[C@H](O)C[C@@H]2[C@@H]1CC2(C)C 2356560214 PLGNMEYDFUAPRS-XFEYQPKCSA-N 334.456 3.397 30 1 EGEF O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1F 28765862 BANNGSDJUNVCOQ-CQSZACIVSA-N 342.292 3.181 30 1 EGEF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]45CC(=O)O[C@@H]4O[C@H](O5)C3=CC(=O)[C@H]12 238759511 BKJQOXVYESWIQG-LTIDKFJVSA-N 346.423 3.123 30 1 EGEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 257401886 CZEMYYICWZPENF-IXUYHEACSA-N 348.439 3.076 30 1 EGEF endogenous,in-man C[C@@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)c1ccccc1C(F)(F)F 587096993 GCLGGTCFSWHYKO-MRVPVSSYSA-N 342.284 3.267 30 1 EGEF N#Cc1nc(Cl)cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 587126013 JEHWLVOWQXEQIW-UHFFFAOYSA-N 344.724 3.423 30 1 EGEF C#CCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 13492888 CQHJLXFCDHQMED-UHFFFAOYSA-N 335.451 3.317 30 1 EGEF CC1=C2[C@H](O)C(=O)O[C@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C 13783618 XQOSNJUURCKQGN-CKUAZFRXSA-N 344.451 3.197 30 1 EGEF C=C[C@]1(C)C=C2C(=O)[C@]3(O)OC(=O)[C@@]4(CCCC(C)(C)[C@@H]43)[C@H]2CC1 1857548810 AHEAPTSGUOGOKK-NCUIPMJOSA-N 330.424 3.156 30 1 EGEF C=CCNc1nnc(SCC(=O)N2CCCCC2)c2ccccc12 4400334 QEAGUQGAHXBMLP-UHFFFAOYSA-N 342.468 3.332 30 3 EGEF O=C1N/C(=N\c2ccccc2[N+](=O)[O-])S/C1=C\c1ccccc1 103221218 JNRSRTBHPNEWPJ-UVTDQMKNSA-N 325.349 3.486 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C=C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356496376 HKIFVFPEXSTSFX-ISIBIEBGSA-N 344.407 3.026 30 1 EGEF 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N#Cc1cc2nc([C@H](N)Cc3cscn3)[nH]c2cc1C(F)(F)F 587029348 OOMCOYBAXKOFEL-SNVBAGLBSA-N 337.330 3.152 30 1 EGEF COC(=O)CCn1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C 587902558 HFOSBRBWABZYHH-UHFFFAOYSA-N 346.814 3.125 30 1 EGEF C#CCCCn1c2ccccc2c2ccc3c(c21)C(=O)[C@@H]1O[C@H]1C3=O 1857555052 OJFIPWRLQKIABV-SFTDATJTSA-N 329.355 3.354 30 1 EGEF C=CCOCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O 27645218 UDMGLORBANGVFE-UHFFFAOYSA-N 342.439 3.028 30 1 EGEF C=CCN(CC=C)C(=O)c1cnc2c(cnn2CCCCC)c1N 26577048 KAERZKVVJFTIQX-UHFFFAOYSA-N 327.432 3.018 30 1 EGEF COc1cc(OC)c(C(=O)C=Cc2ccc(OC)c(O)c2)c(OC)c1 2356478297 YZUGNKFMDOBYCA-UHFFFAOYSA-N 344.363 3.323 30 1 EGEF O/N=C(\NCc1cccnc1)c1cccnc1Oc1ccc(F)cc1 72101608 UYDWVIARXAONJX-UHFFFAOYSA-N 338.342 3.334 30 1 EGEF N#Cc1cccc(-c2cnc3ccc(=NCc4ccccc4)[nH]n23)c1 473133395 ZNMQXOQGTZNCCL-UHFFFAOYSA-N 325.375 3.302 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C(=O)O)cccc1[N+](=O)[O-] 587901579 JMVCKTVOYQREFL-UHFFFAOYSA-N 331.711 3.355 30 1 EGEF CC(C)(O)c1ccc2c(c1)C(=O)C1=C3[C@@](C)(CCC[C@@]32C)C(=O)O1 14496160 IQMDFQYVBMPOOW-WOJBJXKFSA-N 326.392 3.369 30 1 EGEF biogenic,in-vitro COc1ccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)c(OC)c1 169706235 MFXNVBBMYNRAOZ-HNNXBMFYSA-N 337.419 3.171 30 1 EGEF Cc1c(/C=C/CCc2nnnn2CCC#N)c(O)c2ccccc2c1O 169718433 CBKPIQPIGOUYOW-QPJJXVBHSA-N 349.394 3.106 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)[C@H](OC(=O)[C@H](C)CC)C[C@@H]12 2356663090 SQRYPCTWZQIPKH-COWMOVNHSA-N 348.439 3.089 30 1 EGEF CC(C)[C@]1(O)C=C2C(=O)[C@H]3OC(=O)[C@@]4(C)CCC[C@](C)([C@@H]2CC1)[C@H]34 238760923 UGRRLQKVGXWATD-PHSKQRLGSA-N 332.440 3.031 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(F)c([C@H](N)CC(=O)O)c1 587915955 XQMQNMGXGBPRAE-MRXNPFEDSA-N 347.773 3.362 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(C=O)s1 587918917 NHTXYSYFLRUBAU-UHFFFAOYSA-N 334.780 3.409 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(S(C)(=O)=O)c(F)c1 587916464 MNCDYCMLNQVNEU-UHFFFAOYSA-N 338.787 3.291 30 1 EGEF CCCCCCCC(=O)n1c(C)c(Br)c(O)nc1=O 1857599605 MGFXYULGCTTXFG-UHFFFAOYSA-N 331.210 3.021 30 1 EGEF CC(C)[C@@H]1C(=O)C=C2[C@H](CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]23C)[C@@H]1O 2356440646 KEBKBAPPTYLIEM-OVGQVHOSSA-N 334.456 3.436 30 1 EGEF CC[C@H](C)CO[C@@H]1[C@@H]2[C@H](C[C@H](C)[C@@H]3C=CC(=O)[C@]31C)OC(=O)[C@H]2C 2356726279 JOPZTFJFJCQWRK-NTQWKCFDSA-N 334.456 3.397 30 1 EGEF C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 71757614 QQRSSHFHXYSOMF-HLLQXRNWSA-N 346.423 3.140 30 1 EGEF C/C=C1\C(=O)C[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 125603996 QAKWWXLYSGFAQN-DPTUMOBZSA-N 330.468 3.406 30 1 EGEF CCc1ncnc(-c2cc(C)nc(C)c2)c1C#Cc1ccc(N)nc1 148989737 ITAPHKIBLBNPGZ-UHFFFAOYSA-N 329.407 3.095 30 1 EGEF COc1ccc2c(c1)[C@@H](n1nnc3ccccc31)C1=C(CCCC1=O)O2 299838968 ROLFGFQYLHFLQX-HXUWFJFHSA-N 347.374 3.429 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(CN[C@H](C)CO)c1 587904164 DCJXIMWWQZSCNW-CQSZACIVSA-N 329.827 3.219 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2cc(C(=O)O)nn2c1 587912605 LMSIFEYWSCKTTK-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587190977 LVPIVAGVHLEVFH-VIFPVBQESA-N 325.299 3.412 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)c([N+](=O)[O-])cc1C(=O)O 587915409 NVLTUDVSSHVASK-UHFFFAOYSA-N 349.701 3.494 30 1 EGEF N#Cc1nc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2nc1C#N 586898030 FFMZMXVENFBCHE-UHFFFAOYSA-N 338.330 3.136 30 1 EGEF CC1(C)[C@@H](CC#N)[C@@H]1C[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962915176 UJIMFIKRBZCUIT-VODUFIJXSA-N 330.403 3.216 30 1 EGEF C=CCN1C=C2C(=O)[C@@](C)(OC(=O)CC)C(=O)C=C2C=C1CCCC 13817374 WIQUAOMYHWHORX-FQEVSTJZSA-N 343.423 3.236 30 3 EGEF C#C/C=C\CCCCCCC#CC#CCCCC#CC#C[C@@H](O)CO 14770689 CXKNSXTVPUUYQM-GYLQWBMOSA-N 334.459 3.054 30 1 EGEF C/C=C1/C(=O)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 153528131 SNBODTQYFCSFKC-XAOLDQQFSA-N 332.484 3.486 30 1 EGEF COc1ccc2nc(O)c(CNc3ccc(C#N)c(OC)c3)cc2c1 1857607070 GSWUVXVESIYSLI-UHFFFAOYSA-N 335.363 3.441 30 1 EGEF Cc1[nH]ccc1-c1nc(/N=C(\N)NCc2ccccc2)sc1C 27629316 YHMWBUPJSNCNBV-UHFFFAOYSA-N 325.441 3.491 30 1 EGEF N#CCCCn1c(Cn2c(=O)oc3ccccc32)nc2ccccc21 28824372 SWBPAUQMPVHMNC-UHFFFAOYSA-N 332.363 3.296 30 1 EGEF C=C1C[C@@]23C[C@H]1C(=O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 2356610999 FIIJLEWMNRMYMJ-VEJAQRISSA-N 346.423 3.140 30 1 EGEF C#CCn1c(-c2ccc(-n3cncn3)cc2)nc2c(F)cc(F)cc21 43072471 FXQNGRRNDJXWQO-UHFFFAOYSA-N 335.317 3.195 30 1 EGEF COC(=O)CCCCC/C=C\C=C/C#CC#C/C=C\COC(C)=O 238759749 VOPPYPDHFHINPK-VPCGYOCOSA-N 328.408 3.348 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C/C/C=C(/COC(=O)CC(C)C)[C@H](O)C[C@H]12 238765061 MYMQDSZSSGZQTM-LMDHTETJSA-N 348.439 3.091 30 1 EGEF N#Cc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1F 587142758 BYJNNZKINNUXKH-UHFFFAOYSA-N 327.231 3.057 30 1 EGEF COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)cc2OC)cc1O 1857649228 OWZIIDIGDMUMNN-FNORWQNLSA-N 344.363 3.323 30 1 EGEF COc1cccc2c1C(=O)C(NCc1ccc(F)cc1)=C(C)C2=O 103207767 IDJSJOGUJBZKDZ-UHFFFAOYSA-N 325.339 3.277 30 1 EGEF C=C1[C@@H]2CC(=O)C(=CC)[C@@H]2[C@H](C(C)C)[C@@H](O)[C@@H]1OC(=O)C(C)=CC 2356744197 LEKWOAFHZQWGJG-GPFWEFOESA-N 332.440 3.219 30 1 EGEF CCCCCCCCCn1n[n+](C)c2c1C(=O)c1ccccc1C2=O 73195827 LDXJAIRAGMIQMD-UHFFFAOYSA-N 340.447 3.234 30 1 EGEF COC(=O)N[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]12 253664080 KQOJYHVSRSWJQL-KMJHBWPFSA-N 345.439 3.176 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2c(C(=O)O)c[nH]c2c1 587910136 LMODZUXSIUYPGW-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF N#Cc1nc(Cl)cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c12 587057685 QQTOLKSJCONERY-JTQLQIEISA-N 332.194 3.379 30 1 EGEF C=C1CC[C@@H]2[C@](C)(CO)C(=O)CC[C@]2(C)[C@@H]1CCC1=CCOC1=O 2356498329 ROPZFDGMJDAXOR-GJJHYRHESA-N 332.440 3.200 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H]3C=C(CO3)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356287498 KQMSJUFMXUJRPL-XWTMOSNGSA-N 344.407 3.028 30 1 EGEF C/C=C/Cn1cc(/C=C/C(=O)CC(=O)C(=O)OCC)c2ccccc21 101704883 VPCJTNOUEHPTCP-SALZOXGJSA-N 339.391 3.322 30 1 EGEF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@]1(CO)O[C@@H]13 2356761844 HBKMARFBPBPXIX-XLQPFWTLSA-N 348.483 3.312 30 1 EGEF CC1=C2C(=O)C3=C([C@H](O)[C@@H]2OC1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC3 2356852594 QRIJKODYPMIMSS-QIYNHLNTSA-N 330.424 3.095 30 1 EGEF CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H]1C[C@H]3C(C)(C)CCC[C@]23C(=O)O1 85908378 ZGIOOTXNBWWRKD-SULUTDIPSA-N 344.407 3.045 30 1 EGEF in-man C/C=C1/C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 198354287 AGSIHXUUMSXXHC-MTYDKGJGSA-N 332.484 3.486 30 1 EGEF C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](CF)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC 238752091 GTTGJFGTOPQRLF-VULLPXFTSA-N 348.414 3.203 30 1 EGEF N#C[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1 95896075 FSTZDOIQITWSOS-AABGKKOBSA-N 336.435 3.233 30 1 EGEF C=C1C[C@@H](OC(=O)c2ccoc2)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)[C@H]2C[C@H]12 525914824 IJLKKSIWRVXSAM-SYCWYWEBSA-N 340.375 3.445 30 1 EGEF biogenic C=C1C(=O)[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2[C@@H](O)C[C@H]1C3 2356387731 FUHHXQHMWOVSNL-SAPJWADBSA-N 346.467 3.278 30 1 EGEF C=C1C(=O)O[C@@H]2C3=C(C)CCC(=O)[C@]3(C)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356423206 QSSPNILUWTYPQM-GGLFYADGSA-N 344.407 3.052 30 1 EGEF CC(=O)Nc1ccc(CN2C[C@@H]3c4cc(C#N)ccc4OC[C@H]3C2)cc1 26171397 BIMVUZQTSDREEH-XLIONFOSSA-N 347.418 3.125 30 1 EGEF C=C[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356610208 WVWYCSZBBCXDNM-UYBPRJHASA-N 332.484 3.486 30 1 EGEF C[C@@H]1CC(=O)[C@]2(C)[C@@H](CC[C@@H]3O[C@@]32C)[C@]12C[C@@H](c1ccoc1)OC2=O 95914789 UFHYOYGCHODDKI-FYWCTVKLSA-N 344.407 3.437 30 1 EGEF biogenic,in-vitro CC1=CC(=O)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)[C@H](OC(=O)CC(C)C)C[C@@H](O)C3(C)C 238743448 RDXOGOHCELXCJV-QQIJDRRGSA-N 334.456 3.133 30 1 EGEF C/C(=N/N=c1/[nH]c(-c2ccc(C#N)cc2)cs1)c1nccs1 95577185 MVXXQQINDLOLAQ-GRSHGNNSSA-N 325.422 3.396 30 1 EGEF CC1=C[C@@]2(C=CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 587818457 DKLAUGRADABWQY-QLJPJBMISA-N 336.204 3.403 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C)c2c(c1)C(=O)C(=O)N2C 587908062 TVYHHHBBGLJMNH-UHFFFAOYSA-N 339.778 3.216 30 1 EGEF 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3.234 30 1 EGEF C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@@H](c1ccc(OC)c(OC)c1)[C@H]2C 238785519 KDRXBLKIJHTGCN-WNISUXOKSA-N 344.407 3.191 30 1 EGEF C=C1C[C@]23C[C@H]1C(=O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 238762649 FIIJLEWMNRMYMJ-ZXHSYWJSSA-N 346.423 3.140 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(N)cc1OC 587900909 RZCFIXCNFSPFTL-UHFFFAOYSA-N 332.743 3.247 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1 587903976 XLAKPWKZECUWNQ-UHFFFAOYSA-N 347.714 3.147 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)cn2)N1 587773618 RATOMJGOHLQFRB-JDNHERCYSA-N 346.203 3.478 30 1 EGEF Cc1cccc2c1/C(=N/N=C(N)N)C[C@@H](c1ccccc1Cl)O2 13474679 SDGGIRXWCHXUJU-PCXKXAPESA-N 328.803 3.150 30 1 EGEF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=N/O)/C2=N\N 13520617 PZRLBEKSVFUJLE-DZSIGOOSSA-N 331.460 3.065 30 1 EGEF C[C@@H]1O[C@](C#CC2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O 14943893 BODHTLJYAHHWBX-AYVTZFPOSA-N 345.267 3.493 30 1 EGEF COC(=O)[C@@]1(C#N)CC(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1 206021268 CDUFMAKEQOLEPY-PAXLWEDBSA-N 348.402 3.404 30 3 EGEF CC(C)C(=O)N1CCC(C/N=C/C2=C(O)CC(C)(C)CC2=O)CC1 8310478 DHOAAKQALKLDOS-UDWIEESQSA-N 334.460 3.153 30 1 EGEF CC1=NC[C@]23C[C@H](O)[C@H]4[C@@H](CCC5=CC(=O)C=C[C@@]54C)[C@H]2CC[C@H]13 2356380788 QTJNBGXAMZCXMH-KKNSKQTASA-N 325.452 3.336 30 1 EGEF CC/C(=N\c1ccc(N)cc1)C1=C(O)[C@H](C(=O)OC)C(C)(C)CC1=O 101500277 XBHWNHNMFBCEOZ-WMRWHDLOSA-N 344.411 3.352 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C(=O)CC=C(C)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356463587 FKDIIXZIKCNXAT-KURKYZTESA-N 344.407 3.218 30 1 EGEF CC=C1CN2[C@H]3C[C@H]1[C@H](C=O)[C@H]2Cc1c3n(C)c2ccc(OC)cc12 2356618057 COPJPVKUCSLNNG-FPWFTKFVSA-N 336.435 3.250 30 1 EGEF Cc1cn(/C(=N\O)c2cccnc2Oc2c(F)cccc2F)cn1 72184476 NLKGMLZPHDCNHR-QNGOZBTKSA-N 330.294 3.341 30 1 EGEF C#CCOCc1nnc(S[C@@H]2C=CCCC2)n1-c1cccnc1 621478548 YOOSUXDQJGGQHN-OAHLLOKOSA-N 326.425 3.013 30 1 EGEF CCc1nnc(/N=C/c2c(C)nn(-c3ccc(F)cc3)c2O)s1 5686841 HXMYCLCIYKZKKM-CAOOACKPSA-N 331.376 3.190 30 1 EGEF C=C1[C@@H](O)CC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@@H]3O)[C@H](C)CC[C@@]12C 13484107 QLIQMMRUUKMPEX-BONLNXOASA-N 334.456 3.338 30 1 EGEF C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C=CC1=C[C@@H](O)OC1=O 2356382477 BRFJVBBXHPOREF-YNIGFRRXSA-N 332.440 3.114 30 1 EGEF CC[S@@](=O)C[C@](C)(O)c1cc2cc(C#N)c(C(F)(F)F)cc2[nH]1 28817152 XSFXZQHWOJPQKB-PSLXWICFSA-N 344.358 3.034 30 1 EGEF CC=C(C)C(=O)C[C@@]1(O)[C@@]2(C)CCCC(C)(C)[C@@]2(O)CC[C@@]1(C)O 2356472342 TYUIIMQERZUJOC-ZGXWSNOMSA-N 338.488 3.135 30 1 EGEF O=S(=O)(/N=C(\O)c1ccc(O)cc1Cl)c1ccc(Cl)cc1 28393464 BSTNPGHULIVMGW-UHFFFAOYSA-N 346.191 3.393 30 1 EGEF CC(C)(O)c1ccc2c(c1)C(=O)C1=C3[C@](C)(CCC[C@]32C)C(=O)O1 14496168 IQMDFQYVBMPOOW-PMACEKPBSA-N 326.392 3.369 30 1 EGEF biogenic CC(C)(O)c1ccc2c(c1)C(=O)C1=C3[C@@]2(C)CCC[C@@]3(C)C(=O)O1 14496166 IQMDFQYVBMPOOW-VQTJNVASSA-N 326.392 3.369 30 1 EGEF biogenic CC(C)=CC(=O)[C@H](O)/C(C)=C/CC[C@](C)(O)[C@H]1CCC(C)=CC1=O 82152588 MMCHYQXMIUOBDF-TYJXXZSSSA-N 334.456 3.286 30 1 EGEF C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C/C(C)=C/CC/C(C)=C/CC[C@@]1(C)O[C@H]21 140110407 ARVXFCIVVWNIRM-CRDNPJFJSA-N 332.440 3.459 30 1 EGEF CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2ccccc2)[C@@H]1C#N 95668232 XWTXVLPDFLGDHX-ZCNNSNEGSA-N 349.434 3.125 30 1 EGEF COC(=O)N[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]12 253664087 KQOJYHVSRSWJQL-VQEGESQYSA-N 345.439 3.176 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cscn1 587898927 PRXRPKLIVZOCJB-UHFFFAOYSA-N 325.220 3.160 30 1 EGEF CN1CCC[C@@H]1CC/N=C(\S)Nc1ccc(Br)cn1 27092618 AOJDCVGKKKIUDF-LLVKDONJSA-N 343.294 3.026 30 1 EGEF CC(=C[C@@H](O)CC(C)=CCO)CCC=C(C)C(=O)C=CC(C)(C)O 2356686512 JHKUZYXDLVTBBJ-GOSISDBHSA-N 336.472 3.245 30 1 EGEF Cc1ccc(NC(=O)/C=N\OCC(=O)Nc2cc(C)cc(C)c2)cc1 38204133 GRPXDTMSXYAPQG-JAIQZWGSSA-N 339.395 3.191 30 1 EGEF COc1cccc([C@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(C#N)c2)c1 1772612641 LRNKGINCBWKQIS-ZDUSSCGKSA-N 346.390 3.448 30 1 EGEF C=CCNC(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1 11662668 MJQGTTLSHUYBSS-UHFFFAOYSA-N 330.472 3.492 30 3 EGEF C[C@@]12C[C@H](O)C[C@@](C)(C=O)[C@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@@H]21)C3 1857631960 DPPHKNUWVQYVTK-PVJREAODSA-N 332.440 3.190 30 1 EGEF C[C@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NO 103176986 YNKQCIFRPIJGEK-QMMMGPOBSA-N 343.166 3.453 30 1 EGEF CC(C)C[C@H](Nc1nc(-c2ccccc2)cs1)C(=O)NCC#N 82062388 GIYIGAYDLDNYQS-AWEZNQCLSA-N 328.441 3.276 30 1 EGEF CCOC(=O)c1nn(CC)cc1C#Cc1cc(Cl)ccc1OC 587909283 NXNNJYXAMVUWJZ-UHFFFAOYSA-N 332.787 3.142 30 1 EGEF COc1cc2c(cc1OC)[C@@H]1C/C(=N/O)[C@H]3CCCC[C@@H]3N1CC2 4212085 CADPBCPVJBOUEG-MJAHVEMXSA-N 330.428 3.396 30 1 EGEF in-man CC(=N)[C@H](C#N)C(=O)CSc1nnc(Nc2ccccc2)s1 13685697 QEPIBDLQQJYUOC-NSHDSACASA-N 331.426 3.122 30 1 EGEF C=C1C(=O)O[C@H]2C=C(C)C=C[C@H]3O[C@]3(C)C[C@@H](OC(=O)CCCC)[C@@H]12 1857536025 DQSXKWLVHQVACC-YPOJHYBQSA-N 346.423 3.250 30 1 EGEF C=CC[C@H]1C[C@]2([C@@H](C)Cc3ccc(OC)c(O)c3)OCOC2=CC1=O 1857557577 ZRLWDSDUADRPBH-ZQGRQUNCSA-N 344.407 3.372 30 1 EGEF N#Cc1c(-c2ccccc2)cc(NCCN)n2c1nc1ccccc12 72108144 LWALPNUEZTZBFP-UHFFFAOYSA-N 327.391 3.397 30 1 EGEF C=C(C)[C@H]1Oc2c(cc(C(C)=O)c(O)c2OC)[C@H]1OC(=O)/C(C)=C\C 238735258 AEOPRIJRFYKAQT-LWALAHDXSA-N 346.379 3.491 30 1 EGEF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=N\O)/C2=N\N 253635419 PZRLBEKSVFUJLE-ZYLBFRFESA-N 331.460 3.065 30 1 EGEF C[C@H](O)c1ncc(-c2nc3cc(C#N)cc(Br)c3[nH]2)s1 587021671 JZSXCAYMHDZOKT-LURJTMIESA-N 349.213 3.374 30 1 EGEF CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccccc2)C1=O 13559352 PFWLGELXJMOEOK-UHFFFAOYSA-N 342.416 3.336 30 1 EGEF CC(=O)[C@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@@H]2C1 169303821 CWLAYYXVQIWWAE-CYDGBPFRSA-N 342.391 3.134 30 1 EGEF O=C(NO)c1cnc(NC2(c3cccc(Cl)c3)CCCC2)nc1 166677464 ADOBSWBYYFVDPO-UHFFFAOYSA-N 332.791 3.130 30 1 EGEF CCCCCCCC[C@H](O)C=C[C@H](O)[C@H](O)CCCCC(=O)O 2356430344 SDZXJCJBNSUABH-BBWFWOEESA-N 330.465 3.021 30 1 EGEF CC1=C2CCc3cc(C(=O)Oc4ccc(N)cc4)ccc3N2CCC1=O 28354210 YYQRPCCCZOSUKP-UHFFFAOYSA-N 348.402 3.487 30 1 EGEF CO[C@@]1(C#C[C@](O)(c2ccccc2)C2CCCC2)CN2CCC1CC2 28564069 VDLFTAVQHMFQHW-VXKWHMMOSA-N 339.479 3.179 30 1 EGEF C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3c(O)ccc(O)c3oc12 15121023 DUWAPFJOOSCTIW-UHFFFAOYSA-N 328.320 3.232 30 1 EGEF biogenic Cc1ccc2c3c(ccc2c1C)C(=O)C1=C(OC[C@H](C)[C@@H]1CO)C3=O 13380164 VTSFLCVRCKVBCB-ZBEGNZNMSA-N 336.387 3.365 30 1 EGEF biogenic C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H](O)/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238771489 ZYKRXWIPMUJNME-ZNIJEABQSA-N 346.423 3.010 30 1 EGEF COc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)s1 5283 OPZSZRMAPJKVRU-UHFFFAOYSA-N 346.817 3.125 30 1 EGEF COC1=C[C@@H](C(=O)N2CCCC2)[C@H](C)[C@@H](c2ccccc2)CC1=O 169352785 ZMZVKUPDLOQCPL-HYVNUMGLSA-N 327.424 3.148 30 1 EGEF Cc1nc(-c2ccc(OCCC(C)C)c(C#N)c2)n(O)c1C(=O)O 205076344 YSJSAAFPCKSQPI-UHFFFAOYSA-N 329.356 3.091 30 1 EGEF O=C1C=CC=C/C1=C1/NN=C(COc2ccc(Cl)cc2Cl)O1 104212071 ORFCYVNXVZVEMA-XNTDXEJSSA-N 337.162 3.212 30 3 EGEF COc1ccc(COC[C@H](O)C/N=C(\O)CC2CCCCC2)cc1 58363825 XIBVTHSHFOFWPH-QGZVFWFLSA-N 335.444 3.500 30 1 EGEF C=CCC[C@@H]1CN(CCCC)S(=O)(=O)c2c(F)cccc2O1 61931233 XHVWNSCRWIGIDJ-CYBMUJFWSA-N 327.421 3.344 30 3 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc3c(c1)OCO3)O2 587388037 ZLCCKPDVKMIPFS-LJQANCHMSA-N 336.347 3.080 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(cc1F)OCC(=O)N2 587916968 UVQPDAVSUBQZTQ-UHFFFAOYSA-N 331.730 3.218 30 1 EGEF COc1cc(C#N)ccc1OCCOc1cccc(-c2ccnn2C)c1 1857572341 OPJOOOIXZATMQP-UHFFFAOYSA-N 349.390 3.425 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)C(=O)CC[C@H](C)[C@@H](OC(=O)C(C)=CC)C[C@H]12 2356489993 RUHDFIFDAUWXFM-VZKYEUNXSA-N 348.439 3.378 30 1 EGEF C=C[C@]1(C)CC(=NO)C2=C(C(=O)C(O)=C3C(C)(C)CC=C[C@@]23C)[C@H]1O 2356738846 CZOCSKKTVSNAHB-RLLQIKCJSA-N 343.423 3.457 30 1 EGEF CC1(C)C(=O)C(O)=C[C@@]2(C)[C@@H]3CC[C@](C)([C@@H](O)CO)CC3=CC[C@H]12 238766770 DZVNLDHAKWWGAN-FTDAXETJSA-N 334.456 3.149 30 1 EGEF C/C(=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O)CO 95553212 GDGQOBRQTUPPDO-ZMOGLXNNSA-N 340.375 3.181 30 1 EGEF C=CC[C@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(OC)cc1)[C@H]2C 195349679 KPAMAOKNEWVTGG-MXDFIXEMSA-N 326.392 3.289 30 1 EGEF CC(C)(C)OC(=O)N[C@@H](C(=O)NO)c1ccc(-c2ccccc2)cc1 653797715 BENZKHKGKDQWFM-MRXNPFEDSA-N 342.395 3.425 30 1 EGEF Cc1c(Br)cnc2[nH]c(-c3ccc(O)c(C#N)c3)nc12 587187112 BBAIECNBUZHLQN-UHFFFAOYSA-N 329.157 3.273 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1NS(C)(=O)=O 587919884 ZRSCDZLNKIKFBN-UHFFFAOYSA-N 335.812 3.120 30 1 EGEF Cc1cccc(-n2[nH]c(C)c(/C=N/c3ccc4[nH]c(O)nc4c3)c2=O)c1 169325763 YKFLKXJXBLUMTF-KEBDBYFISA-N 347.378 3.115 30 1 EGEF C/N=c1\c(N/C(O)=N/c2ccccc2F)c(O)oc2ccccc12 103632393 ZCLHYNKTGJKFHY-RGEXLXHISA-N 327.315 3.466 30 1 EGEF CN1CCN(CCC#Cc2c3c(nc4ccccc24)CCCCC3)CC1 22930433 YGHOWLSUENGEBH-UHFFFAOYSA-N 347.506 3.493 30 1 EGEF C=C[C@](C)(O)C[C@@H](C=C(C)C[C@H](C=C(C)C)OC(C)=O)OC(C)=O 2356677948 ZWCHRIPZSGWZAL-OTWHNJEPSA-N 338.444 3.480 30 1 EGEF C[C@@H]1C(=O)C=C2C(=O)[C@@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@@]1(C)[C@@H]2C 2356709383 BCVHIFLJKAWFDN-AFBLNMRRSA-N 332.440 3.232 30 1 EGEF COc1ccc([C@@H](O)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 72114987 LODBLQXGKDSFHP-GOSISDBHSA-N 332.363 3.182 30 1 EGEF CC(C)[C@@H]1C(=O)C=C2[C@@H](CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]23C)[C@H]1O 138779063 KEBKBAPPTYLIEM-VWIDUNKXSA-N 334.456 3.436 30 1 EGEF CCCc1c(O)ccc2c1O[C@@](CC)([C@H](C#N)C(=O)OCC)CC2=O 587470903 WWIXIIDMOWVBTA-AUUYWEPGSA-N 345.395 3.162 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(-c2nonc2N)c1 587905285 OUGCQIPHIWIODD-UHFFFAOYSA-N 325.755 3.381 30 1 EGEF C#Cc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587526138 PZRCTPWWCASPAL-JOCHJYFZSA-N 343.382 3.360 30 1 EGEF CCC[C@H]1C(C(=O)OCc2ccccn2)=C(C)NC2=C1C(=O)CCC2 1857765226 LALBGJHBQGDHRD-HNNXBMFYSA-N 340.423 3.425 30 1 EGEF COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@@H]1C 29571218 CTZZWWNXWHPDSK-XPTSAGLGSA-N 327.302 3.399 30 1 EGEF Cc1ccc(C(=O)Nc2cccc(NC(=O)C[n+]3ccccc3)c2)cc1 49807722 BKVAIARBOICYHE-UHFFFAOYSA-O 346.410 3.174 30 1 EGEF COc1cc2c3c(c1OC)[C@]1(C=CC(=O)CC1)CC[C@H]3N(C)CC2 238753766 OVGUJLPRBWSQNI-QRWLVFNGSA-N 327.424 3.184 30 1 EGEF C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3ccnc3C)[C@@H]2CC1 169308962 CTWNCTXYIPPNSV-UXVJDGKFSA-N 330.428 3.027 30 1 EGEF O=C(NO)c1cc2c3ccccc3n(Cc3ccc(F)cc3)c2cn1 3818683 ADHFMENDOUEJRK-UHFFFAOYSA-N 335.338 3.496 30 1 EGEF in-vitro Cc1c(/N=N/C2=C(O)CCCC2=O)c(=O)n(-c2ccccc2)n1C 101679562 YNUZUYPGBODBTD-VHEBQXMUSA-N 326.356 3.091 30 1 EGEF C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(OC)cc1)[C@H]2C 195349671 KPAMAOKNEWVTGG-OVXHWVBHSA-N 326.392 3.289 30 3 EGEF C=C1C(=O)O[C@H]2/C=C(C)\C=C/[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238752609 HKIFVFPEXSTSFX-DKSACSTGSA-N 344.407 3.026 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([N+](=O)[O-])c(C(=O)O)c1 587902348 SBCGWLHALUEEOG-UHFFFAOYSA-N 331.711 3.355 30 1 EGEF Cc1cc(C)c2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2c1 587261768 IMJOBAKWOZWVRS-UHFFFAOYSA-N 337.335 3.236 30 1 EGEF C=C1CC[C@H](C(C)=O)[C@H](OC(=O)C=CC(C)(C)O)C=C(C)CCC1=O 2356460478 WNLDPFSWPBREOU-SJLPKXTDSA-N 348.439 3.076 30 1 EGEF COc1ccc(N2CCCCC2)c(NC(=O)c2ccc(C#N)o2)c1 28960954 FWFLUBJUGGENKO-UHFFFAOYSA-N 325.368 3.402 30 1 EGEF CC(=O)O[C@H]1[C@H](OC(C)=O)CCC2=CCC[C@H](C)[C@]2(C)[C@@H]2O[C@]12C 2356781378 BBKOWFMHJNGPFC-LSANITQOSA-N 336.428 3.164 30 1 EGEF CN1C=Cc2cn(C)c3c2[C@H]1C=C(NC=Cc1ccc(O)cc1)C3=O 2356872933 YEDDEJMSUDDPRB-QGZVFWFLSA-N 333.391 3.029 30 1 EGEF COC1=C[C@H](C(=O)N2CCCC2)[C@H](C)[C@H](c2ccccc2)CC1=O 66157129 ZMZVKUPDLOQCPL-OIISXLGYSA-N 327.424 3.148 30 1 EGEF CCOC(=O)[C@@]1(CCC#N)c2cc(OC)ccc2CCN1C(C)C 962087159 FGELDPDVUZTFHL-LJQANCHMSA-N 330.428 3.024 30 1 EGEF Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)[C@@H](C#N)C(=N)O2 169691064 LZAWINQVIADXGY-NVXWUHKLSA-N 329.363 3.217 30 1 EGEF O=C(N/C=N/c1cccnc1)c1cccc(COCC(F)(F)F)c1 3638883 DLPLEJZFSOQYIX-UHFFFAOYSA-N 337.301 3.250 30 1 EGEF C=CCOc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652107 KZPJJQOGMHBJQI-UHFFFAOYSA-N 340.766 3.303 30 1 EGEF C[C@H](CCC(=O)O)Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587961843 ZIRGJVCHYVEKCZ-MRVPVSSYSA-N 325.290 3.497 30 1 EGEF N#Cc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1C(F)(F)F 586890412 JCVXIQXGHJRNKM-AWEZNQCLSA-N 333.269 3.241 30 1 EGEF C#C[C@@H]1CCC[C@@]2(C1)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962671239 SEFOJKHYIKIJNS-RTOPAQNCSA-N 348.446 3.352 30 1 EGEF CCCCCCCCCC[C@@H]1NC(=N)N[C@]2(CCCO2)[C@H]1C(=O)O 1772643037 XQIBJGYYXKVIHB-DAYGRLMNSA-N 339.480 3.221 30 1 EGEF N#CC[C@H](c1ccccc1)N1CCN(Cc2ccccc2)CCC1=O 15937571 SZWADYXRUKSVJR-HXUWFJFHSA-N 333.435 3.376 30 3 EGEF CC(=O)O[C@H]1C[C@@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 153492175 QKIHAUWKVZCZMF-UOUVBWGTSA-N 346.467 3.421 30 1 EGEF Cn1cnc2c(C#N)nc(-c3ccc(CCO)c(C(F)(F)F)c3)cc21 58538034 ZZKRTNNWXPMLKE-UHFFFAOYSA-N 346.312 3.061 30 1 EGEF COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O 113390653 DTXZBJLDMHVQOU-UHFFFAOYSA-N 330.347 3.374 30 1 EGEF CC(=O)Nc1ccc(CN2C[C@H]3COc4ccc(C#N)cc4[C@@H]3C2)cc1 26167707 BIMVUZQTSDREEH-FXAWDEMLSA-N 347.418 3.125 30 1 EGEF C=C[C@@H]1CN2CCc3c([nH]c4cc(OC)ccc34)[C@@H]2C[C@H]1CCO 2356481047 BEVQVISXDWONSY-LPMFXHHGSA-N 326.440 3.280 30 1 EGEF O=C1Cc2cc(Cc3ccc(C(F)(F)F)cc3)ccc2C(=O)N1O 299865495 UBHLPWPNFMBLAM-UHFFFAOYSA-N 335.281 3.210 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(N)nc1Cl 587903166 LKMRYMCWMUEHHS-UHFFFAOYSA-N 338.150 3.287 30 1 EGEF C=C1C(=O)OC[C@@H]1[C@H](O)c1cn(C(=O)C2CC2)c2ccc(Cl)cc12 1857545257 BBAJXSOUHSBOLQ-GOEBONIOSA-N 345.782 3.108 30 1 EGEF CC1=CC=C([C@@](C)(O)CO)CC(=O)C(C)=CCC[C@]2(C)O[C@H]2CC1 253668611 QYPUAWRQTMYIDE-UFYCRDLUSA-N 334.456 3.239 30 1 EGEF CC(=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)CC[C@@H]3O)CO 2356464217 BDMIMSPBTFWTBC-TVLKCDEOSA-N 346.467 3.445 30 1 EGEF COc1ccc(O)c(C(=O)C=Cc2cc(OC)c(OC)cc2OC)c1 2356445953 UJYJMZRALNAPMM-UHFFFAOYSA-N 344.363 3.323 30 1 EGEF O=C(C#Cc1ccc(O)cc1)c1ccc(I)cc1 66112052 FHTHLOGQBSIJHT-UHFFFAOYSA-N 348.139 3.231 30 1 EGEF COc1cc2c3c(c1)O[C@]1(CCCC4=C1C[C@@H](CC#N)O4)[C@@H](C2)C3=O 587427855 GOTNVDXCORQRTG-RAJNIJHNSA-N 337.375 3.322 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc2c1OCO2 587907565 NVAHYQSDJWJBSP-UHFFFAOYSA-N 344.750 3.264 30 1 EGEF CC1=CC(=O)C=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587823991 SVJOVHHXWKWVFC-MGPLVRAMSA-N 336.204 3.403 30 1 EGEF O=C1C=CC=C2CCN(c3ccccc3I)C=C12 1772579952 YCLZZNOPCSFXDM-UHFFFAOYSA-N 349.171 3.451 30 1 EGEF COc1ccc(/C(CCc2ccccc2)=N/N=C/SN)c(O)c1 169696996 DNBVPIPNNLFDAV-YEFHWUCQSA-N 329.425 3.373 30 1 EGEF C[C@H]1/C=C/C(=O)O[C@H](C)[C@@H](C)/C=C/C=C/C(=O)[C@H](C)C[C@H](C)[C@@H]1O 202774332 WDMWTIKQIXSBFK-XBESBCJHSA-N 334.456 3.465 30 1 EGEF C=CCOc1ccc(/C=C2/N=C(C)C(C(=O)OCC)=C2O)cc1OC 103523895 SUWSEEQKKBVNHP-GXDHUFHOSA-N 343.379 3.451 30 1 EGEF CCCCCCCSc1ccc(CCC(N)(CO)CO)cc1 43308061 NYCNNQNGJYJNSA-UHFFFAOYSA-N 325.518 3.364 30 1 EGEF C/C1=C\[C@@H]2OC[C@](C)(O)/C2=C/C[C@@](C)(O)/C=C/C[C@]2(C)O[C@H]2CC1 207616541 MIBUYZPWLCLWSC-RJEOJZHPSA-N 334.456 3.048 30 1 EGEF CC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1OC(F)F 26270332 UBBMVIDEDOPGDQ-AWEZNQCLSA-N 338.310 3.346 30 1 EGEF COC1=C/C(=C/Nc2oc(C)c(C)c2C#N)C=C(Br)C1=O 104027454 QDILJIUFZHPGBM-JXMROGBWSA-N 349.184 3.456 30 3 EGEF CCCCCCC[C@H](O)C=C[C@@H](O)CC[C@H](O)CCCC(=O)O 2356490353 FITAKYVPWCVTII-GVDBMIGSSA-N 330.465 3.021 30 1 EGEF C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)[C@H](O)CC[C@@]3(C)[C@]2(O)CC1 2356694189 XARJWEAKRVLXPB-RHMWYWNKSA-N 332.440 3.212 30 1 EGEF C=CCn1c(-c2cc3c(cc2C=O)OCO3)cc2ccccc2c1=O 72114978 UQJVACSJHMVDJH-UHFFFAOYSA-N 333.343 3.396 30 1 EGEF COc1cccc(Oc2ccc(/C(=N/O)NCc3ccco3)cn2)c1 72180528 VOJQPDMIEKXIEP-UHFFFAOYSA-N 339.351 3.401 30 1 EGEF COc1cccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)c1O 139709088 JGJFZIPUUKXTKB-MKICQXMISA-N 338.359 3.361 30 1 EGEF CO/C(=C\c1ccc(OC)c(OC)c1)C(=O)c1ccc(OC)cc1O 238735582 OWLPSZJBNLYHSI-ZDLGFXPLSA-N 344.363 3.288 30 1 EGEF CCN1C(=O)N[C@@H](c2ccc(Br)cc2)C(C(C)=O)=C1C 13816446 NQHBRUQEWJTCKW-AWEZNQCLSA-N 337.217 3.398 30 3 EGEF COc1cc2c(c(O)c1C/C=C(\C)CC(=O)C=C(C)C)COC2=O 15273798 IDSCVDJWBRGNKG-LFYBBSHMSA-N 330.380 3.485 30 1 EGEF endogenous,in-man CCOc1ccc(NC2=C(Cl)C(=O)c3cccnc3C2=O)cc1 26015330 VOXCHXBITAQQPG-UHFFFAOYSA-N 328.755 3.422 30 1 EGEF C[C@@H]1CC(=O)[C@]2(C)[C@H](CC[C@@H]3O[C@]32C)[C@]1(C)CCC1=CC(=O)OC1 2356470147 PNEVRZLMZSOONE-WTPSFUSESA-N 332.440 3.439 30 1 EGEF C=C1CCC[C@](C)(O)CC[C@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@@H]12 2356711772 XQXQDAKXKAWXRV-KNBMTAEXSA-N 334.456 3.300 30 1 EGEF CCOC(=O)C(=O)/C=C\C(SCc1ccccc1)=C(\O)OCC 299804846 JWBKZDYKYDPKBM-WONOQZHYSA-N 336.409 3.372 30 1 EGEF COCCOc1ccc(-c2nc3ccc(C#N)cc3[nH]2)cc1[N+](=O)[O-] 587265324 OPVHRLIMMSLQBH-UHFFFAOYSA-N 338.323 3.035 30 1 EGEF CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101270505 AXKPRXFZRFZHFB-RMEPHLEKSA-N 339.479 3.273 30 1 EGEF C=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(C=CC[C@@]3(C)C(=O)O)[C@]2(O)CC1 2356512512 WIEULLALQDWNTC-YRPNKDGESA-N 344.407 3.082 30 1 EGEF CC(=O)C(C=Nc1ccccc1N=CC(C(C)=O)C(C)=O)=C(C)O 2356812161 BSGOHMWJYSKDGG-UHFFFAOYSA-N 328.368 3.306 30 1 EGEF CCCCCCCC[C@@H](O)[C@H](O)/C=C/[C@@H](O)CCCCC(=O)O 84858059 KFPLVZLISLBBSJ-WFZKJPOOSA-N 330.465 3.021 30 1 EGEF Cc1cc(C)cc(Sc2nc3c(N)ncn(CCCC#N)c-3n2)c1 299871381 YIBYHLNWBIGDRD-UHFFFAOYSA-N 338.440 3.432 30 1 EGEF CCCCCCCC(=O)NCCCc1nc2cncc(OC)c2[nH]1 587228852 ZLIDMAQIRJSSMW-UHFFFAOYSA-N 332.448 3.376 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(-c2n[nH]c(=N)o2)s1 587921163 WAHFENSSJQHUJL-UHFFFAOYSA-N 331.784 3.272 30 1 EGEF C=CC[C@H]1C[C@]2([C@H](C)Cc3ccc(OC)c(N)c3)OCOC2=CC1=O 1857534489 JMLYSSCNLQTOOY-IAMHBRQHSA-N 343.423 3.248 30 1 EGEF CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 8860633 WQOWZUHSEZTROA-IBGZPJMESA-N 342.347 3.262 30 3 EGEF O=C(/C=C1\C(=O)N(c2ccccc2)C(=O)N=C1O)/C=C/c1ccccc1 29126871 XABJQLXLWCEAOV-VBEVGYOXSA-N 346.342 3.319 30 1 EGEF CN(C(=S)NN=C(c1ccccn1)c1ccccn1)c1ccccc1 95560355 XTRLGFDFFXTJRS-UHFFFAOYSA-N 347.447 3.240 30 1 EGEF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)C/C(C)=C/CC[C@@]1(C)O[C@H]21 238775771 DWNHGPRUSBRDRF-BCLZHCEKSA-N 346.423 3.250 30 1 EGEF biogenic COc1ccc(Cl)cc1C#Cc1ccc2c(c1)c(C(=O)O)nn2C 587908697 GWTZHGDBLJIKFB-UHFFFAOYSA-N 340.766 3.333 30 1 EGEF C[C@@]12CN(NC(=O)c3ccc(Cl)cc3)[C@]3(C#N)C[C@@H]1CC[C@]23C 169689398 GICLVULQWFFDEX-LIRZEXBASA-N 329.831 3.389 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 104370385 QFINJHBXXJQKPB-LSRDGHEISA-N 346.423 3.010 30 1 EGEF in-man N#Cc1c(N)nc2c(c1N)CC(=O)N2c1ccccc1-c1ccccc1 25460923 IFQGDIWFADYAQZ-UHFFFAOYSA-N 341.374 3.005 30 3 EGEF O=S(=O)(CC#CCCCCC#CCO)c1ccc2ccccc2c1 26665748 VHSVQKQXRURUPH-UHFFFAOYSA-N 340.444 3.173 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C[C@@H]2O[C@]23Cc2occ(C)c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c1ccc2occc2c1 38208268 KNSUADXKFTZSIZ-RTBURBONSA-N 336.435 3.117 30 1 EGEF Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)[C@@H](O)C[C@H]3O[C@]31C2 238765684 IXGCICCGQDVKNM-BMEOKEKGSA-N 348.439 3.319 30 1 EGEF C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C=O)CCCC(C)(C)[C@@H]1CC2 34729490 NHMZRDXUNAGYHM-UFAGZECESA-N 332.440 3.403 30 1 EGEF biogenic CCCCCCCC(=O)NCCCc1nc2ccc(OC)nc2[nH]1 587228370 POGRRJWOYLSUCU-UHFFFAOYSA-N 332.448 3.376 30 1 EGEF Oc1nc2ncc(C#CCN3CCC(Cc4ccccc4)CC3)cc2o1 58591133 GBWVAAJOOJARBZ-UHFFFAOYSA-N 347.418 3.235 30 1 EGEF C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccccc4C#N)cc3c21 28901993 QBBJUOOPQOTTLK-NSHDSACASA-N 344.374 3.139 30 1 EGEF COCOc1cc(O)c(C(=O)C=Cc2ccccc2)c(OCOC)c1 2356712312 YINAAZRIIMRSGH-UHFFFAOYSA-N 344.363 3.254 30 1 EGEF CSc1ccc([C@]2(C=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587408769 DIOZDIVOBRPKRM-GOSISDBHSA-N 327.405 3.359 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cncc2ccc(C(=O)O)nc12 587911799 RXOHLNJONUDACP-UHFFFAOYSA-N 338.750 3.390 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c2nccn2c1 587912852 ZMYICYGTXYCRGZ-UHFFFAOYSA-N 340.766 3.183 30 1 EGEF N#CC[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555768 MAQFTTNAMJILRX-CXAGYDPISA-N 331.274 3.271 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C(F)F)N1 587717789 GRFPRKDDMFGLFK-CPFSXVBKSA-N 333.151 3.496 30 1 EGEF O=C1C=CC([N+](=O)[O-])=C/C1=C\NN=C1c2ccccc2-c2ccccc21 13126510 BVWUJTGUYOLBDM-OUKQBFOZSA-N 343.342 3.192 30 3 EGEF COC(=O)C1=C[C@@H]2[C@H](C[C@]3(C)O[C@@H]3CC1)[C@@H]1[C@@](C)(O)CC[C@@]21C(C)C 2356395082 KOSKWRWCBDIGCT-WRVRNPCMSA-N 348.483 3.477 30 1 EGEF C/C1=C\C=C(\[C@@](C)(O)CO)CC(=O)/C(C)=C/CC[C@]2(C)O[C@H]2CC1 101533784 QYPUAWRQTMYIDE-YRQQGYCISA-N 334.456 3.239 30 1 EGEF CCOC(=O)c1c(N/C=C2\C=CC(=O)C=C2O)sc2c1CCC2 104027555 RPYBZJDFBFSWIZ-MDZDMXLPSA-N 331.393 3.290 30 3 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)CC(C)=CCCC(C)=CCC[C@@]1(C)O[C@@H]21 2356588582 ARVXFCIVVWNIRM-IHEQNBGGSA-N 332.440 3.459 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356668991 JDJDTBKVRVBWGQ-LMWIJYBJSA-N 346.423 3.298 30 1 EGEF CN(C)C=C(C(=O)Nc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 2356860369 UEJONPJCFOYRMP-UHFFFAOYSA-N 348.193 3.328 30 1 EGEF N#Cc1ccc(Nc2nccc(=NCc3ccc(F)cc3F)[nH]2)cc1 473248098 LNEUEUNCOYSMKB-UHFFFAOYSA-N 337.333 3.404 30 1 EGEF CCOc1cccc(N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)c1 26472647 DHSCHLSOJAQSET-UHFFFAOYSA-N 334.397 3.109 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@](C)(O)[C@H](O)CCC(C)=CCCC(C)=CC[C@@H]12 2356446198 AQTDUFOIYAZLRP-XFKSJGNHSA-N 334.456 3.443 30 1 EGEF Cc1cccc(C)c1Oc1ccc(=O)n(Nc2ccc(C#N)cc2)n1 72118058 QHSWZQPEERODAN-UHFFFAOYSA-N 332.363 3.399 30 1 EGEF C=C[C@]1(C)C[C@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1O 84706344 BMNMZWYECBBAJT-SOKAGXEVSA-N 327.424 3.308 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(N2CC[C@@H](N)C2)cc1 587908206 WGHQBBYXUQUOHK-QGZVFWFLSA-N 326.827 3.286 30 1 EGEF COc1ccc(Cl)cc1C#Cc1csc(C(=O)N(C)OC)c1 587918730 GSHXAECRASKGDV-UHFFFAOYSA-N 335.812 3.443 30 1 EGEF C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)O[C@@H]1O 13330203 GHNHHZAECXQMOM-WXQGCQCLSA-N 332.440 3.114 30 1 EGEF C=C1CCC=C(C)CC[C@H]2C(=CCC=C(CO)CO)COC(=O)[C@@H]12 2356650547 JOKXSQBLJTXDIX-OALUTQOASA-N 332.440 3.080 30 1 EGEF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@H]2CC[C@H]3C[C@]21[C@H]1O[C@@H]31 2356758808 JNHXFBNCZCMHFO-ADTNBGTQSA-N 348.483 3.311 30 1 EGEF O/C(COc1ccccc1)=N\c1nc2cccc(Br)n2n1 74388026 XEBHAQJCLSSYJZ-UHFFFAOYSA-N 347.172 3.159 30 3 EGEF O=C(/C=C(O)/C=C/c1ccc(O)c(O)c1)CCc1ccc(O)cc1 221588015 JWPGJAZZQGISFM-SORZUHJSSA-N 326.348 3.460 30 1 EGEF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CC#N)c1)[C@@H](C2)C3=O 587428923 NMENGFQFUPCRSE-KKSFZXQISA-N 349.386 3.433 30 1 EGEF C#CCOc1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 587563014 BDVOURBYQIEKRZ-UHFFFAOYSA-N 328.169 3.399 30 1 EGEF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 587936720 LRLAUQZBWYFGTM-VOJFVSQTSA-N 332.363 3.152 30 1 EGEF O=C1Nc2cccc(Br)c2/C1=C\C(=O)c1cccnc1 101412654 GGFKPYBOYPQZEI-JXMROGBWSA-N 329.153 3.063 30 1 EGEF C=C1C(=O)O[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2CC[C@@]1(O)C3 102951576 PVEQERUYCHGTLB-JFDWIMJISA-N 348.439 3.061 30 1 EGEF CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)C[C@@H](C)O[C@]431)C2=O 73278525 REMHECGSDXLQKX-GECVKMDCSA-N 330.424 3.152 30 1 EGEF Cc1ccc(Oc2ncccc2/C(=N/O)N2CCC=N2)c2c1CCC2 72181882 NXYGLHYGVODEOZ-PYCFMQQDSA-N 336.395 3.498 30 1 EGEF N#Cc1cccc(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2F)c1 149927739 WCEOEKIGWSVPFZ-QGZVFWFLSA-N 340.358 3.002 30 1 EGEF C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3CC/C(C)=C/[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238765373 DTOFRQNTRKNUMY-MLDCIYQYSA-N 346.423 3.250 30 1 EGEF N#Cc1ccc(C#C[C@H]2CCCCN2C(=O)COc2ccccc2)cc1 299859112 WCMQEUODHFOLQL-HXUWFJFHSA-N 344.414 3.370 30 1 EGEF C=CCOc1cccc(N2CC[C@@]3(O)C(=O)c4cc(C)ccc4N=C23)c1 1857634144 UJSDCTIWTYQISC-OAQYLSRUSA-N 348.402 3.428 30 1 EGEF C=C1CC[C@H]2CCC3=C(C2(C)C)[C@@](O)(CC(C)=C[C@@H](O)C1)OC3=O 2356453076 NAXRGDYBDAKNAZ-AUSJPIAWSA-N 332.440 3.402 30 1 EGEF C=C[C@]1(C)C[C@](O)([C@@H]2OC2(C)C)Oc2c1c(=O)oc1cccc(C)c21 15204719 GTHJSZWFFNGEQF-MISYRCLQSA-N 342.391 3.194 30 1 EGEF biogenic CC(C)C[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)NCC#N 82065205 OEPOXXHCEZLRDP-GPANFISMSA-N 335.492 3.010 30 1 EGEF CCCCCCCCCNC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 43273687 BUYNCEPZKOMZCL-OAHLLOKOSA-O 331.477 3.013 30 1 EGEF Cn1ccnc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C#N 587623534 VOIZMZNYTMVAQU-UHFFFAOYSA-N 341.172 3.079 30 1 EGEF N#Cc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587185723 XCFYQIMOXFSINH-UHFFFAOYSA-N 346.131 3.101 30 1 EGEF N#Cc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586967429 WWQGAKKCMDQJBR-UHFFFAOYSA-N 334.364 3.172 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cncc2[nH]c(C(=O)O)cc12 587911309 PEEJDJOYILYLGY-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF CC[C@@H](C)C(=O)O/N=C(\Cn1cncn1)c1ccc2ccccc2c1 1772621532 PVXONIOQBCQISF-ZLFSKHNOSA-N 336.395 3.425 30 1 EGEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C/C/C=C(/C)CC[C@@H]2O 169290467 OASCGMGKXPPAEW-KCBOQPRCSA-N 334.456 3.443 30 1 EGEF C=C1C(=O)[C@@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@]1(O)C3 169354723 CAZYNLSCRWNLPJ-MTVNYMPZSA-N 346.467 3.422 30 1 EGEF N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1cccc(OCCO)c1 200825770 OPSFKJKCZBTRBS-UHFFFAOYSA-N 348.358 3.085 30 1 EGEF CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccc(C)cc1 103176280 INQQLEKUCUYPMP-QTCOBDOFSA-N 340.423 3.369 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 106037976 QFINJHBXXJQKPB-PDMMCEIHSA-N 346.423 3.010 30 1 EGEF CCOc1ccc(C(=O)/N=C(\N)NCCCCc2ccccc2)cc1 26936949 DNCHCTMVAWUDIV-UHFFFAOYSA-N 339.439 3.153 30 1 EGEF C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OC)[C@H]4CC[C@]3(C2)[C@@H]1O 103144643 JACCGSJHVGSSCD-BOBDLXFJSA-N 348.483 3.070 30 1 EGEF C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@@H]12 238738138 UQKDIHVSLOQHAL-USUVLAOGSA-N 332.440 3.076 30 1 EGEF N#Cc1ccc(OCc2nc3cc(Br)ncc3[nH]2)cc1 587191313 SQOQSEAHJPVJPF-UHFFFAOYSA-N 329.157 3.171 30 1 EGEF C#CCCOC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587793526 NKQIWBKJNDUEBS-MEBBXXQBSA-N 326.209 3.203 30 1 EGEF C=C(NC(C)=O)c1ncc(C#Cc2cc(Cl)ccc2OC)cc1F 587916842 SMOKUJXOPHHIID-UHFFFAOYSA-N 344.773 3.389 30 1 EGEF COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2O)cc1OC 1857622567 BOYAGHNMYQPGKZ-UHFFFAOYSA-N 344.363 3.323 30 1 EGEF NC1=C(C(=O)c2ccccc2)[C@H](c2cccnc2)c2ccc(O)cc2O1 103253044 CYJMARWTOIZZRP-GOSISDBHSA-N 344.370 3.365 30 1 EGEF CC1=CC=C(C(C)C)C(=O)[C@H](O)[C@H](C)CCC(=O)[C@H](CO)CCC1 2356455362 PTPYXTLRNJFEMB-JTDSTZFVSA-N 336.472 3.223 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@H]12 2356471787 ZHNTWXWAMWPYNI-JFIYKMOQSA-N 332.440 3.076 30 1 EGEF CC=C(C)C(=O)[C@@H]1C=C(C)CC[C@]23OC(=O)[C@H](C)[C@@H]2CC(=O)[C@]13C 2356784642 PLGQNLAPGDISAV-LOHHBASGSA-N 330.424 3.405 30 1 EGEF CC(C)NC[C@@H](O)CO/N=C1\CCCOc2ccc3ccccc3c21 26938566 FTTRSWRVANNDLF-XEFZIOHMSA-N 342.439 3.092 30 1 EGEF CN(C)OC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1 96914798 APCCPKWIRRVIJX-CQSZACIVSA-N 331.243 3.096 30 1 EGEF C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)CC(=O)C[C@](C)(O)CC[C@@H]1O 238738747 REFMWIIIPOFHJU-LWMNRSPGSA-N 338.488 3.157 30 1 EGEF C=C1CC[C@@H]2[C@H]([C@@H]3C(COC(C)=O)=CO[C@@H](OC(C)=O)[C@@H]13)C2(C)C 257568987 VNVDQMBBSOHHMO-ILOCAZANSA-N 334.412 3.207 30 1 EGEF CC(C)n1nc(C#Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21 653764436 GZOUZKNRUVPCDY-UHFFFAOYSA-N 345.328 3.408 30 1 EGEF COc1ccc(NN/C(=C\N=O)C(=O)c2ccc(OC)cc2)cc1 5702531 UQJMWKGZBYCPBY-WJDWOHSUSA-N 327.340 3.111 30 3 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC[C@]3(COC(=O)CC(C)C)O[C@H]3C[C@@H]12 2356415877 ZWFGMQUUOJJSIV-PFRQMTDMSA-N 348.439 3.331 30 1 EGEF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2CC=O)cc1 28950947 IWAVQFPSVHLEGJ-CQSZACIVSA-N 341.363 3.008 30 1 EGEF CC(C)=CC(=O)[C@H](O)C(C)=CCC[C@](C)(O)[C@@H]1CCC(C)=CC1=O 2356523295 MMCHYQXMIUOBDF-AHRSYUTCSA-N 334.456 3.286 30 1 EGEF C=C1CC[C@H]2CCC3=C([C@H](C[C@]4(C)O[C@@H]4[C@@H](O)C1)OC3=O)C2(C)C 2356543470 SMGIARQMSXVWAY-QEQHIPOYSA-N 332.440 3.293 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@@H](OC(=O)CC(C)C)[C@H]12 2356660497 HKCAIZMMUQCFMI-YSHGAJCASA-N 348.439 3.089 30 1 EGEF CC1(C)O[C@H]1Cc1c(O)ccc2c1O[C@H]1c3ccc(O)cc3OC[C@@H]21 238775878 VFEZVGIIHWZKLN-FNHZYXHNSA-N 340.375 3.427 30 1 EGEF COC(/C=C/c1ccc(O)c(OC)c1)=N\CCc1ccc(O)cc1 238788698 DECGFMRSPNOPFI-GAYWTXMOSA-N 327.380 3.407 30 1 EGEF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)ON3C(=O)CCC3=O)c2c1 587640469 APJNLTISTWOITH-JTQLQIEISA-N 328.368 3.211 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(NS(C)(=O)=O)c1 587919728 UOXISZMVNAAIRY-UHFFFAOYSA-N 335.812 3.120 30 1 EGEF COc1cccc2c3c(cnc12)CCN[C@]3(C#N)c1ccc(F)cc1 963033918 KQIMEFTZZQRSNJ-HXUWFJFHSA-N 333.366 3.295 30 1 EGEF CC(C)(O)[C@@H]1Cc2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3)c2O1 42989149 SUKRWJWSDOFKRU-YXOJNZSOSA-N 340.375 3.068 30 1 EGEF N/C(=N/O)c1ccc(-c2cccc(-c3ccc(/C(N)=N\O)cc3)c2)cc1 96908766 UFYKLWFCHLSKLO-UHFFFAOYSA-N 346.390 3.210 30 1 EGEF C[C@H]1CC(=O)[C@]2(C)[C@@H](CC[C@@H]3O[C@@]32C)[C@]12C[C@H](c1ccoc1)OC2=O 238783618 UFHYOYGCHODDKI-RFDBMKLPSA-N 344.407 3.437 30 1 EGEF COc1cccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(O)c2)c1 299838694 QUZFMZZDSBJCHR-XVYDYJIPSA-N 338.359 3.361 30 1 EGEF CC/C=C\C[C@@H](O)[C@H](O)/C=C/C(=O)CCCCCCCC(=O)O 169622034 PLHUEKVESBJIRC-IQWQWEDASA-N 326.433 3.005 30 1 EGEF C=C1C[C@@]23C[C@H]1CC(=O)[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 2356679923 MNWSIPXSEQTSPP-VIIZKYILSA-N 346.423 3.140 30 1 EGEF CN1C(=O)[C@H](CN2CCCCC2)C[C@@H]1C#Cc1ccccc1Cl 35899779 CERLNDRLDQEXDA-IRXDYDNUSA-N 330.859 3.024 30 1 EGEF C[C@@H]1C(=O)C[C@@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@]12C[C@@H](c1ccoc1)OC2=O 238764878 QUNHCTKZXLTVQZ-NCVJLCGLSA-N 344.407 3.437 30 1 EGEF C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C[C@H]3OC3(C)C)CO[C@H](O)[C@@H]12 238744897 BKEVIEYLBYCAMR-OEGJEVASSA-N 334.456 3.109 30 1 EGEF COc1ccc2c(=NN=Cc3ccccc3[N+](=O)[O-])cc(C)[nH]c2c1 299817981 AEPJNSJUKPMMAW-UHFFFAOYSA-N 336.351 3.328 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c[nH]c(=N)cc1Br 587909140 KIAOHACNZHNKLN-UHFFFAOYSA-N 337.604 3.318 30 1 EGEF CCCc1c(O)ccc2c1O[C@H](c1ccc(C#CCO)cc1)CC2=O 587490322 RKIBZNXLQXYCNR-FQEVSTJZSA-N 336.387 3.395 30 1 EGEF COc1ccc(Cl)cc1C#CC1=CC(=O)N(c2ccccc2)C1=O 587912490 PXMWUEXKIFGNEO-UHFFFAOYSA-N 337.762 3.200 30 1 EGEF C[C@H](O)CNC(=O)c1ccc2cc(Oc3ccc(C#N)cc3)ccc2n1 584629814 PATHYJXYLSNSPH-ZDUSSCGKSA-N 347.374 3.009 30 1 EGEF CC(C)SC[C@@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 28101897 RRTXCSSUJVWXCR-CQSZACIVSA-N 346.374 3.408 30 1 EGEF N#Cc1nc(NC2CCCC2)c2ncn(-c3cc(F)cc(F)c3)c2n1 36380039 SFJGXGNRDWINTR-UHFFFAOYSA-N 340.337 3.320 30 1 EGEF C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@H](C)[C@@]12C 2356624121 RRRSBSBOBMCFGX-QFPJVRJESA-N 332.396 3.358 30 1 EGEF C=C1C(=O)[C@@]23CC[C@@H]4[C@H](C(=O)OC)CC(=O)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 35276613 JSVYWQFZVYJDCP-FYZRTRKDSA-N 330.424 3.096 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)C(=O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 85582013 FKDIIXZIKCNXAT-ITIVSAFDSA-N 344.407 3.218 30 1 EGEF in-man COC(=O)c1ccc(CO)c(C#Cc2cc(Cl)ccc2OC)c1 587899541 CTDOGXWZZSASGS-UHFFFAOYSA-N 330.767 3.027 30 1 EGEF C#C[C@]1(C(OCC)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 587477647 DODIPSYHBWCYBU-LJQANCHMSA-N 332.396 3.081 30 1 EGEF CN[C@H](c1cccnc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587220509 CPQUAPWQHPXCLE-CQSZACIVSA-N 331.301 3.157 30 1 EGEF C/N=c1\c(N/C(O)=N/Cc2ccc(F)cc2)c(O)oc2ccccc12 103632842 PWWCHPNNNRMMAS-HKWRFOASSA-N 341.342 3.334 30 1 EGEF C=CCO/C(O)=C1\C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccccc1 101684039 QHKUIFVXVNUYHH-VLURKWGBSA-N 339.351 3.098 30 1 EGEF Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2cccc(F)c2)n1 29125209 YMGUHZGKJXJICQ-UHFFFAOYSA-N 347.393 3.418 30 1 EGEF C=C[C@@H]1C(C)(C)C(=O)[C@H]2C[C@@]1(C)[C@@H]1[C@@H]3OC(=O)C(=CC)[C@H]3O[C@]21C 2356434587 WYOPVCJAKMHFLL-YKDDVKIDSA-N 330.424 3.069 30 1 EGEF COc1ccc(CCC(=O)/C=C/[C@@H](O)Cc2ccccc2)cc1OC 84671211 ZENDLXHTQUIMRF-TZZQJPOUSA-N 340.419 3.365 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C)nn(CCC(=O)O)c1C 587903151 XOHQZFRBQJELCT-UHFFFAOYSA-N 332.787 3.036 30 1 EGEF COC(=O)c1c(N)ccc(C#Cc2cc(Cl)ccc2OC)c1C 587899442 DDXDHHPHPOFGEY-UHFFFAOYSA-N 329.783 3.426 30 1 EGEF Cc1cc(Cl)ccc1C#Cc1nc2nc(Br)c[nH]c-2n1 587067428 ZPPMHPZMIRVFSI-UHFFFAOYSA-N 347.603 3.429 30 1 EGEF C[C@](O)(c1ccc(F)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1 169310964 ARYBRLXZTNECIC-IBGZPJMESA-N 334.354 3.487 30 1 EGEF C=CC[C@]12CCN(Cc3ccco3)[C@H](Cc3ccc(O)cc31)[C@@]2(C)O 169316829 YXAUIVUYIANPDF-NJYVYQBISA-N 339.435 3.381 30 1 EGEF N/C(=N\c1ccc([N+](=O)[O-])cc1)N1Cc2cccc3c2[C@H](CCC3)C1 27768852 JBRHXMPXMURDBG-OAHLLOKOSA-N 336.395 3.477 30 1 EGEF CC(C)=CC=C1O[C@@H]2CC(C)=CC(=O)[C@]2(OC(=O)CC(C)C)[C@@]1(C)O 2356466431 GDEJFCBKFPLWAP-YZGWKJHDSA-N 348.439 3.234 30 1 EGEF O/N=C/C1=NCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 73276078 LJUJGGALEIQGCB-AERZKKPOSA-N 339.239 3.398 30 1 EGEF COc1ccc([C@H]2C/C(=N\O)c3c(OC)cc(OC)cc3O2)cc1 49054295 SXGYUCUYOLSHAG-WBFOAEISSA-N 329.352 3.415 30 1 EGEF COC(=O)[C@H]1C(=O)C=C(Nc2ccc(OC(F)(F)F)cc2)C[C@H]1C 40395076 MCHBEHPBWGBBDV-YMTOWFKASA-N 343.301 3.279 30 1 EGEF CN1C[C@@H](N(Cc2ccccc2)c2ccc(C#N)c(Cl)c2)CC1=O 43073838 ILQXPYNQBBBDKC-KRWDZBQOSA-N 339.826 3.449 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(C=O)c1O 587899764 GTEIXQGULNADKW-UHFFFAOYSA-N 331.711 3.175 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cn(C)nc1Br 587913300 OAPCRECKRODKCI-UHFFFAOYSA-N 325.593 3.244 30 1 EGEF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 587041243 DZQKAQBEAARPAS-JTQLQIEISA-N 349.847 3.103 30 1 EGEF COc1cc2c3c(c1)O[C@@](C[C@@H](C)C#N)(c1cccnc1)[C@@H](C2)C3=O 587436829 UQXBYWYWUPICNF-QROBEVECSA-N 334.375 3.283 30 1 EGEF CC[C@H](C)C(=O)O/N=C(\Cn1cncn1)c1ccc2ccccc2c1 1772621531 PVXONIOQBCQISF-HOEZRSETSA-N 336.395 3.425 30 1 EGEF COC1=C/C(=C/NN2[C@@H](C)CCC[C@H]2C)C=C(Br)C1=O 18155820 GYZPGHGXHKDAMG-WLZDGDPQSA-N 341.249 3.030 30 3 EGEF C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C\CC[C@@]3(CO)O[C@@H]3C[C@H]12 169299952 PRUIDJLINDRLON-FPCAAWJESA-N 332.440 3.461 30 1 EGEF N#C[C@@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccncc1 169689701 WWTUZFBBLUCEOJ-UONOGXRCSA-N 333.326 3.252 30 1 EGEF CC(=N)[C@H](C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1 4013633 JTHSAOIOQHKUAK-LBPRGKRZSA-N 345.453 3.431 30 1 EGEF CO[C@@H]1C(C)=CCCC[C@@H]2O[C@]23CC(=O)O[C@@H]3c2c(O)ccc(O)c21 2356283640 WDYPOBGJRVTRDW-JGNHQEBTSA-N 346.379 3.041 30 1 EGEF COC(=O)[C@H]1CC[C@H]2[C@@H]3CNC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 28758405 ZJOMBWSBLZDZAK-IJPWUHMPSA-N 331.456 3.074 30 1 EGEF COc1ccc(/C=C2\Oc3cc(OC)c(OC)c(OC)c3C2=O)cc1 27205224 USMNURMDIJSEAI-ZROIWOOFSA-N 342.347 3.337 30 1 EGEF O=C(C=C(O)C=Cc1ccc(O)c(O)c1)CCc1ccc(O)cc1 2356495215 JWPGJAZZQGISFM-UHFFFAOYSA-N 326.348 3.460 30 1 EGEF C=C(C)[C@H](O)Cc1c(O)ccc(C(=O)CCc2ccc(O)cc2)c1O 2356559710 IUCXJOIWFNHZDB-LJQANCHMSA-N 342.391 3.098 30 1 EGEF CC(=O)OC=C(CC=O)[C@@H](CC=C(C)C#CC=C(C)C)OC(C)=O 2356664589 BCMBHUXTOJVBDQ-LJQANCHMSA-N 332.396 3.260 30 1 EGEF C=C1[C@H](O)C[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@H]1CC=C1CCOC1=O 2356692472 XDMURUTWTFRCDW-ROYATCLZSA-N 332.440 3.198 30 1 EGEF COc1cc(OC)c(C(=O)C=Cc2ccc3c(c2)OCO3)c(OC)c1 2356720781 JVOXGQQMPCSFBL-UHFFFAOYSA-N 342.347 3.337 30 1 EGEF COC(=O)CCCCC/C=C\C=C\C#CC#C/C=C/COC(C)=O 238785319 VOPPYPDHFHINPK-NIGWBBKLSA-N 328.408 3.348 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12 238774588 OWAUPJWPBXIMAJ-FFSKOBAQSA-N 346.423 3.250 30 1 EGEF CC[C@H](C)n1c(O)nc(C)c(C#Cc2cc(Cl)ccc2OC)c1=O 587912167 HROQBPPNQZCXQG-NSHDSACASA-N 346.814 3.290 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H]3O[C@@]3(C)[C@@H](OC(=O)[C@H](C)CC)CC=C(C)CC[C@H]12 2356382871 QPBIVEZQZLZRFV-LHFCKMJTSA-N 348.439 3.330 30 1 EGEF N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)no2)c(C(=O)O)c1 28887084 SKNNYDKXHFKBJY-UHFFFAOYSA-N 333.303 3.164 30 1 EGEF Cc1cccc2oc(=O)c3c(c12)O[C@H](C)[C@H]3CC(=O)[C@@H]1OC1(C)C 2356568745 FFVTXDZCGATRNF-AGKHESDQSA-N 328.364 3.103 30 1 EGEF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](C#N)C(=O)N2 31829657 PXJJMZRPGBMTIG-OMCZFLOESA-N 326.440 3.137 30 1 EGEF Cc1cc(C)c2nc(NCCNC(=O)c3ccco3)c(C#N)cc2c1 35312934 FZEVNEHTGDBHGL-UHFFFAOYSA-N 334.379 3.158 30 1 EGEF COC[C@@H](C)N/C(=N\O)c1ccc(C)nc1Oc1cccc(F)c1 72182456 KUOJDDYOOGNZLU-GFCCVEGCSA-N 333.363 3.082 30 1 EGEF C=C1[C@@H]2CCC(=O)[C@@](CC[C@H]3[C@]4(C)CCC[C@@]3(C)C(=O)O4)(C2)[C@@H]1O 238777401 DLSVWIAYJFRFRS-AWPVFBCSSA-N 332.440 3.175 30 1 EGEF CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C 299848319 XQOSNJUURCKQGN-ZCLLSQPOSA-N 344.451 3.197 30 3 EGEF in-vitro Cc1ccc(S(=O)(=O)/N=C(\O)c2cc(C)n(C3CC3)c2C)cc1 3201894 YOBZWQMUBIJQJF-UHFFFAOYSA-N 332.425 3.442 30 3 EGEF C[C@H]1CC(=O)[C@]23CO[C@@H]4O[C@@H](c5ccoc5)C[C@@]14[C@@H]2CCC[C@@]31CO1 103736342 NDNJZWPFCBYVOR-GQOPOUIRSA-N 344.407 3.248 30 1 EGEF COC(=O)c1sc2cc(C#Cc3ccccc3OC)cnc2c1N 66100891 ZIRDELROJUEUGE-UHFFFAOYSA-N 338.388 3.074 30 1 EGEF Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc([C@H]3CO3)n2)c1 36379271 DSVYJFCGNRRCKL-CYBMUJFWSA-N 333.342 3.319 30 1 EGEF CC(=O)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@@H]3CC[C@]12C 255260362 QAGRSHUMAXNJMZ-MCWKFYIRSA-N 330.468 3.408 30 1 EGEF N#Cc1cccc(NC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)c1 263590682 HVOONLSPYDWQIU-SPUZQDLCSA-N 325.412 3.370 30 3 EGEF Cc1cccc(-c2cc(Nc3ccn(C)n3)nc3[nH]cc(C#N)c23)n1 1772584483 PTVWNEXMHLTTCL-UHFFFAOYSA-N 329.367 3.282 30 1 EGEF CC1=[N+](C)N(c2ccccc2)C(=O)[C@@H]1/N=C\c1ccccc1Cl 102403578 DEWPWDDDYVSIMY-SYERDGIWSA-N 326.807 3.193 30 3 EGEF CC(C)Sc1ccc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cn1 28821780 GKFXCICGVBWLNG-UHFFFAOYSA-N 341.392 3.404 30 1 EGEF CCCCCCCC[C@H](O)C=C[C@H](O)[C@@H](O)CCCCC(=O)O 2356430348 SDZXJCJBNSUABH-ULQDDVLXSA-N 330.465 3.021 30 1 EGEF C[C@@H]1CO[C@]2(C)OC3=C(C[C@H]12)C(=O)C1=C(C3)O[C@]2(C)OC[C@H](C)[C@H]2C1 2356484692 DHNCDYKKHYKXJZ-LNZSCSCKSA-N 346.423 3.305 30 1 EGEF C=CCN1C(=O)S[C@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)C1=O 587039070 PAYOUGSZNKADBO-LLVKDONJSA-N 339.779 3.148 30 1 EGEF Cc1nc2[nH]c(-c3cc(O)cc(C#N)c3)nc2cc1Br 587192380 ZXOCFVVMYZYGNH-UHFFFAOYSA-N 329.157 3.273 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2nc(C(=O)O)cn2c1 587912110 AVDNZKVMTWZSFS-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF CC1(C)CC(=O)C2=C(C1)OC(=N)[C@@H](C#N)[C@@H]2c1ccc2c(c1)OCO2 169688958 VPIKOWJBEQZWJB-ZBEGNZNMSA-N 338.363 3.289 30 1 EGEF CC[C@@]1(C)Cc2c(c(S)n(-c3ccccc3)c(=N)c2C#N)CO1 101764438 OGVUZZWYJIJKIU-SFHVURJKSA-N 325.437 3.359 30 1 EGEF N#Cc1c([C@@H](N)Cc2ccc(F)cc2)cc(-c2ccccc2O)nc1N 28355682 AOTGRTJQZBDEQX-KRWDZBQOSA-N 348.381 3.290 30 1 EGEF C=CCN1[C@H](CC(C)C)COc2c(Cl)cccc2S1(=O)=O 72139422 IGICDKOXDFTDKL-GFCCVEGCSA-N 329.849 3.324 30 1 EGEF COc1cc2c(cc1OC)/C(=N/NC(=S)Nc1ccccc1)CC2 73165266 ZJQRZHVAFSELTH-HMMYKYKNSA-N 341.436 3.341 30 1 EGEF C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C/C(C)=C/[C@@H](O)C1)OC3=O 39350759 NAXRGDYBDAKNAZ-HZDNEDPBSA-N 332.440 3.402 30 1 EGEF C=C1C[C@@]23CC[C@@H]4C(C)(C)OC(=O)CC[C@@]4(C)[C@@H]2C[C@@H]1[C@H](O)C3=O 238763574 IYAYAMDWPSWCBK-KIINSAQZSA-N 332.440 3.031 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C(=O)O)csc1C(=O)O 587918759 HVKQFZNGKHVAQY-UHFFFAOYSA-N 336.752 3.206 30 1 EGEF Cc1ccc2c(c1CCC(=O)C(C)(C)O)C(=O)C(=O)C(C(C)C)=C2 14693077 VDYQVYQVQLEJQY-UHFFFAOYSA-N 328.408 3.072 30 1 EGEF endogenous,in-man C=CC[C@]12CCCC(=O)[C@]1(O)O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C 2356341100 GHWAOEFITBMWCE-HDBZGKQISA-N 330.380 3.127 30 1 EGEF C=C1CC[C@H]2CC[C@@H]3C(=O)NC(=C[C@H](C)CC(=O)C1)[C@@]3(O)C2(C)C 2356381374 KFRPDESGMXVVHV-FKEXNYPISA-N 331.456 3.119 30 1 EGEF N#Cc1ccc(Nc2nccc(/C(=N\O)c3ccccc3F)n2)cc1 49071851 WELWPISEBOOHDU-ULJHMMPZSA-N 333.326 3.458 30 1 EGEF O=C1C=C[C@]2(C=C1Cl)OC[C@H](c1cccc(Br)c1)O2 96916780 OORFOPWOOLFOBO-KGLIPLIRSA-N 341.588 3.495 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(N)[nH]nc2nc1C1CC1 587902789 AUZDYTJCXISUSK-UHFFFAOYSA-N 338.798 3.479 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c2cn[nH]c2c1 587907982 YPPYRYISJUQKKG-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF COc1cc(/C=N/N=C(\S)Cc2ccccc2)c(O)c(OC)c1 13589614 MZXFMPDTVYOQSW-WOJGMQOQSA-N 330.409 3.314 30 1 EGEF COc1ccc(C(=O)N2C[C@]3(C)[C@@H]4CC[C@@]3(C)[C@@]2(C#N)C4)cc1OC 169296857 LPPVWMDNFLZLBE-DMSXTEQDSA-N 340.423 3.248 30 1 EGEF CN[C@H](c1ccc(C#N)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1 169350566 GDLHEBYIUXPTQJ-LJQANCHMSA-N 340.390 3.272 30 1 EGEF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\C#Cc1ccc(C)c(F)c1 101038441 LSHYSRPXQSYQAD-CHZXZBEKSA-N 339.410 3.068 30 1 EGEF COc1c(C(C)C)cc(O)c2c1[C@H](O)C[C@]13O[C@]1(C)C(=O)CC[C@]23C 2356713716 QBHJRAARLLAAJD-WNISUXOKSA-N 346.423 3.110 30 1 EGEF CC(=O)C1=COC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@@H]12)N3C 38693904 PMIRJPWEIZTLEG-KTGNWYGMSA-N 336.435 3.215 30 1 EGEF CCC(=O)Cc1ccc(Oc2ncnc(N)c2/C=N/OC)cc1Cl 72176792 HNKJECQKYXUJJG-ODCIPOBUSA-N 348.790 3.006 30 1 EGEF CC(=O)N[C@@H](C)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1 142357165 HFULCKGJDVSDMZ-AWEZNQCLSA-N 335.407 3.005 30 1 EGEF C=C(C)CCc1c(O)cc2oc3c(O)c(O)ccc3c(=O)c2c1O 238742277 BRZMQTNSCDXFEW-UHFFFAOYSA-N 328.320 3.277 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)[C@H](C)CC)[C@H]12 238747405 YTTWVUJVOFNFPP-UOSTWEDSSA-N 348.439 3.089 30 1 EGEF C[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)c2)cn1)C(C)(C)F 96933552 OXFZNTJEIXZZHX-CYBMUJFWSA-N 328.362 3.487 30 1 EGEF C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2C=C[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 253634536 PQNWXGPSXYSRRL-VQBCACJISA-N 328.452 3.472 30 1 EGEF O=C1C/C(=N/c2ccc3[nH]ncc3c2)O/C1=C\c1c[nH]c2ncccc12 473180388 PFVCMUWPURHCEI-FNLWGAGSSA-N 343.346 3.500 30 1 EGEF C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C#N)nn4C)c2N1 653900914 BVGBDKUISALXAL-LLVKDONJSA-N 331.379 3.255 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(N)cc1OC 587901065 XRXOXZPYQNXERC-UHFFFAOYSA-N 345.782 3.126 30 1 EGEF COc1cc(/C=C2\CC[C@@](C)(CN(C)C)C2=O)cc(OC)c1OC 17198823 JDONRJDDBJXXDG-JNMQVBFRSA-N 333.428 3.027 30 1 EGEF CC[C@H]1OC(/C(C)=C/COc2ccc3ccc(=O)oc3c2)=CC1=O 101268465 OJPRKWVJBFWARD-OQRGYWNNSA-N 326.348 3.380 30 1 EGEF N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(-c2ncccc2C#N)c1 101387118 PQTKLDRCMUNDCS-IZZQQSIFSA-N 330.391 3.154 30 1 EGEF Cc1ccc2c(c1)C(=O)/C(=C(\S)N(C)c1ccccc1)C(=O)N2C 101253037 ZBBKSSKUQHOYGU-KNTRCKAVSA-N 338.432 3.432 30 1 EGEF C=C1CC[C@H]2C[C@@H](OC(=O)C2=C)[C@@](C)(O)CCC=C(C)CC[C@@H]1O 2356541440 DCUOGCPPMKAPLI-GNBUJSLZSA-N 334.456 3.443 30 1 EGEF CC(C)(C)[C@@H](/C=C/c1ccccc1)n1cc(/C=C/C(=O)NO)nn1 72177234 VZFNPGQXAMLZHT-ZFTUXJPWSA-N 326.400 3.097 30 1 EGEF CC1(C)C=Cc2c(c(C(C)(C)[C@H]3CO3)c3oc(=O)ccc3c2O)O1 14614714 BEHXVAOQVLHEPS-GFCCVEGCSA-N 328.364 3.359 30 1 EGEF biogenic CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@]2(C)CC1=O)O[C@H](C)C4 14765499 CEFJBQPEKNGIIU-ZPWHCFADSA-N 340.375 3.111 30 1 EGEF biogenic CCCCCCCC[C@@H](O)/C=C\[C@H](O)[C@H](O)CCCCC(=O)O 224330909 SDZXJCJBNSUABH-USHIQKTFSA-N 330.465 3.021 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@H]12 238744499 SLFNZRXROGKMKG-PRTBXFLHSA-N 346.423 3.010 30 1 EGEF CN(C)/C=C1/C(=O)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511604 LZKAPVFSROHLPK-YULVEUEDSA-N 339.435 3.468 30 1 EGEF N#Cc1ccc(OCc2nc3c(Br)ccnc3[nH]2)cc1 587190100 HVXROQNYWFNPCO-UHFFFAOYSA-N 329.157 3.171 30 1 EGEF CC(C)C#C[C@@]1(C(C)C)NS(=O)(=O)Nc2ccc(Cl)cc21 5962450 UINCOYXYKVUHAV-HNNXBMFYSA-N 326.849 3.111 30 1 EGEF COc1cc(/C=N\O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12731480 UHJKIECXLPKLFS-NVNXTCNLSA-N 333.256 3.112 30 1 EGEF COc1ccc(NC(=O)OC/C=C(\C)C2=CC(=O)C(C)(C)O2)cc1 26473015 BAXASSPFZBHYBR-FMIVXFBMSA-N 331.368 3.452 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@@H](O)CC(C)=CCCC(C)=CCC[C@]2(C)O 2356503388 GQCXSSWGCFPUBF-LXZJYRNTSA-N 334.456 3.443 30 1 EGEF C=CCN=c1[nH]c2c(s1)C[C@]1(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@H]1[C@@H]2C 2356645955 KUCHAKYMINHPEX-SCMKRIASSA-N 346.496 3.417 30 1 EGEF C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccccc4C#N)cc3c21 28901989 QBBJUOOPQOTTLK-LLVKDONJSA-N 344.374 3.139 30 1 EGEF N#C[C@H](Cc1ccc(C2=CCCCC2)cc1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 221946587 IFWFHVRWBPTTLC-WOZUAGRISA-N 349.478 3.335 30 1 EGEF CCCCCCCCCCCCNC(=O)CC1CC(=O)NC(=O)C1 49881629 JMPKYYFKHDOKJE-UHFFFAOYSA-N 338.492 3.466 30 1 EGEF COc1cc2c(c3c1CC[C@@](C)(CC(=O)C=C(C)C)O3)COC2=O 40411097 VVVQVJCSSXMDGD-IBGZPJMESA-N 330.380 3.375 30 1 EGEF C=C(C)[C@H]1Oc2c(cc(C(C)=O)c(O)c2OC)[C@@H]1OC(=O)/C(C)=C\C 238772769 AEOPRIJRFYKAQT-SELBCVKXSA-N 346.379 3.491 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(CNCCCO)c1 587904585 QVKCYLKEUJBNHK-UHFFFAOYSA-N 329.827 3.220 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(-c2nc(C#N)n[nH]2)c1 587905009 GSOCBGWQHFWYRM-UHFFFAOYSA-N 334.766 3.405 30 1 EGEF Cc1ccc2c(c1)nc1n2[C@H](CNCc2ccc(C#N)cc2)COC1 2356299128 YEJCOWCUOXYOEX-QGZVFWFLSA-N 332.407 3.078 30 1 EGEF CCN1N=C(C)C[C@@]1(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 28710512 FZWDZMUTZBPXFF-HNNXBMFYSA-N 338.333 3.376 30 1 EGEF C#CCOc1ccc(OC)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587398855 FWTBFCOLNBYUGD-IBGZPJMESA-N 337.375 3.304 30 1 EGEF O=C1C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C(=O)N1O 13447686 STOYHVQKKWVYFE-UHFFFAOYSA-N 343.342 3.318 30 1 EGEF COc1cc2c(c3c1CC[C@](C)(CC(=O)C=C(C)C)O3)C(=O)OC2 14724204 AHSKHMCUHVNVRW-LJQANCHMSA-N 330.380 3.375 30 1 EGEF CC1=CC(=O)c2c(O)c(O)c(O)c3c(O)c4c(c1c23)O[C@H](C)C4(C)C 104964023 BTQBPLOITIIODY-SSDOTTSWSA-N 342.347 3.320 30 1 EGEF C=C1CC[C@H]2[C@@H]([C@H]3C(COC(C)=O)=CO[C@H](OC(C)=O)[C@@H]13)C2(C)C 34093902 VNVDQMBBSOHHMO-KFGODFMUSA-N 334.412 3.207 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2[nH]c(C(C)(C)O)nc2c1 587909880 BQBDWUZPCJIOID-UHFFFAOYSA-N 341.798 3.247 30 1 EGEF FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cncnc2[nH]1 587090503 WERPXOBKIJOFSX-UHFFFAOYSA-N 338.133 3.278 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2ncc([N+](=O)[O-])n2c1 587913213 YPFQKOOSISUEQX-UHFFFAOYSA-N 327.727 3.304 30 1 EGEF C/C(=N\NC(N)=S)[C@H](C)Oc1ccc(Oc2ccccc2)cc1 103271217 FDBIGHQUMMMFCF-HCZVKUGISA-N 329.425 3.455 30 1 EGEF COC1=CC(=O)/C(=C2\ONC(C)=C2c2cnn(-c3ccccc3)c2)C=C1 104026247 UMJDDYBPTVKSLG-JZJYNLBNSA-N 347.374 3.061 30 3 EGEF COc1cc(Br)c(/C=[N+](\[O-])Cc2ccccc2)cc1O 66251237 VHFWKLZNSNLLKS-YVLHZVERSA-N 336.185 3.293 30 1 EGEF Cn1c(O)c(C(=O)C=CC[C@H](N)c2ccccc2)c(=O)c2ccccc21 2356723679 QQIXNKJWWDFANQ-INIZCTEOSA-N 348.402 3.073 30 1 EGEF CCCOc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1 27426895 IKJHPAOZXRMGAG-OVCLIPMQSA-N 328.320 3.208 30 1 EGEF Cc1ccc(C(=O)/C=C\c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587966562 WJAMHZFBWNZGLL-SREVYHEPSA-N 333.347 3.098 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)ccn2)N1 587772082 NHYUJRQACNWYFQ-FVMDXXJSSA-N 346.203 3.478 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1N1CCNCC1 587902617 IMVNTBYDZGCMOS-UHFFFAOYSA-N 326.827 3.158 30 1 EGEF C/C=C1\NNC(=O)C(c2nc(-c3ccc(C#N)cc3)cs2)=C1CC 587921754 XEFJBEODGHEMHB-CPSFFCFKSA-N 336.420 3.384 30 1 EGEF CCOC(=O)C[C@@]1(CS)CC(=O)c2ccc3c(c2O1)CCCC3 587531598 HXHGKLQHCKIDGI-GOSISDBHSA-N 334.437 3.152 30 1 EGEF C=CCN(CC=C)C(=O)c1onc(-c2ccc(F)cc2)c1[C@@H](C)O 2356302833 FBCBTTZFBGBZSD-GFCCVEGCSA-N 330.359 3.348 30 1 EGEF COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC 3213116 LYLUEUXBYYJESL-KRWDZBQOSA-N 344.411 3.043 30 3 EGEF CSc1nc(Cl)c(C#N)c(Nc2ccc3c(c2)OCCO3)n1 4030162 TYLLBGVOENALSP-UHFFFAOYSA-N 334.788 3.238 30 1 EGEF C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@@]1(O)C3 105474372 CAZYNLSCRWNLPJ-KQWWDLRCSA-N 346.467 3.422 30 3 EGEF C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@]4(C)C(=O)[C@H](C#N)C[C@]35C)[C@@H]1CC[C@H]2O 118920084 BVWBEKKUVJYZSX-RXDMIHFRSA-N 343.467 3.230 30 1 EGEF CC1=C(C)C2=CC(=O)C3=C(C(=O)c4oc(C)cc4C3=O)[C@]2(C)CC1=O 2356552047 BCQASUIJKLATHD-HXUWFJFHSA-N 336.343 3.088 30 1 EGEF C=C1CCC[C@](C)(O)CC[C@@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@@H]12 2356711774 XQXQDAKXKAWXRV-SYNHAJSKSA-N 334.456 3.300 30 1 EGEF COC[C@@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)C1 210755925 SGDNLMNAWOAVJR-OAHLLOKOSA-N 347.422 3.359 30 1 EGEF N=c1[nH]c2nc(-c3coc(C#Cc4ccccc4)c3)nc-2c(Cl)[nH]1 586902222 WHOZWGHCTMXATO-UHFFFAOYSA-N 335.754 3.030 30 1 EGEF CC#Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587953774 SZAODRXNQHPFBY-UHFFFAOYSA-N 345.811 3.389 30 1 EGEF C=CCc1cc(C(C)=O)c(O)cc1OCCCCCC(=O)N(C)C 13650588 PKHMRXUQEUDSLK-UHFFFAOYSA-N 333.428 3.351 30 1 EGEF C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccccc1 100703110 QHKUIFVXVNUYHH-IGWPVBGESA-N 339.351 3.098 30 1 EGEF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@@H]1C=O 100038004 VXGKJYZITFFGRK-ZWPWWNDZSA-N 343.379 3.057 30 1 EGEF NC(=O)N(O)[C@@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)C1CC1 29566830 RMEKGQUNQXSZHW-HNNXBMFYSA-N 330.315 3.111 30 1 EGEF C[C@]12C[C@H](c3ccoc3)OC=C1C(=O)C[C@]13COC(=O)C1=CCC[C@H]23 13457514 JSJGGYMCEWCMES-JYBIWHBTSA-N 340.375 3.484 30 1 EGEF biogenic C/C1=C/CC[C@@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2[C@@H](O)C[C@@H](C)[C@]3(C)CC1 141449773 QERBULPKWCHSBH-GVTBEUMXSA-N 334.456 3.087 30 1 EGEF COC(=O)c1cccc2[nH]nc(C#Cc3cc(Cl)ccc3OC)c12 587913042 GEKYCXBSFBUWAZ-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF N#Cc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc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c1ccoc1)OC2=O 2356737108 VKZZVTSIYSLAJA-BGRCLHOASA-N 340.375 3.484 30 1 EGEF C=C1C(=O)[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@@]1(O)C3 169693746 CAZYNLSCRWNLPJ-OFFWLINVSA-N 346.467 3.422 30 1 EGEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@H]1C(=O)O[C@]2(C=CC=C(C)C)CO 2356443375 JYBJATPZXXGWRQ-HDHSKVTNSA-N 332.440 3.317 30 1 EGEF C#CC=CCCCCCCC#CC#CCCCC#CC#C[C@H](O)CO 2356683749 CXKNSXTVPUUYQM-QHCPKHFHSA-N 334.459 3.054 30 1 EGEF O=C1C=C[C@]2(C=C1Cl)OC[C@@H](c1ccc(Br)cc1)O2 96916786 PVIYZFTVSXTWBB-KBPBESRZSA-N 341.588 3.495 30 1 EGEF CCc1ncncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880327 JJIKAMIDPBXGCS-UHFFFAOYSA-N 348.233 3.056 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(OC)c2[nH]c(=N)oc12 587911286 CRNPOXJGNRQIGY-UHFFFAOYSA-N 328.755 3.311 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CNCCO2)cc1 587906712 PLYZHSZYLMIPEP-IBGZPJMESA-N 327.811 3.409 30 1 EGEF CCOC(=O)c1nn(Cc2ccccc2Cl)c(OCC)c1C#N 587874836 IAOVEHDJCAUXNZ-UHFFFAOYSA-N 333.775 3.032 30 1 EGEF CC[P@@](=O)(c1ccccc1)N(Cc1ccccc1)[C@H](C)C(=O)NO 13782651 FTSDPRIBDLXKCA-OYLFLEFRSA-N 346.367 3.006 30 1 EGEF COc1ccc(NC2=C(Cl)C(=O)c3sc(CO)cc3C2=O)cc1 28522318 GLNYEWYLDMFYFM-UHFFFAOYSA-N 349.795 3.191 30 1 EGEF C=C1C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@@H]15 238756361 VSYXNSKUYBOAQW-GGJGRYGXSA-N 339.479 3.395 30 1 EGEF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC=CC=CC2=O 587605129 XNJUJESFTLCEMB-PXNSSMCTSA-N 334.327 3.178 30 1 EGEF COc1ccc(Cl)cc1C#Cc1nn(C(C)(C)C)cc1C(=O)O 587912900 BABXTDGDUXSOEG-UHFFFAOYSA-N 332.787 3.398 30 1 EGEF CCOC(Cn1cc(C#Cc2cc(Cl)ccc2OC)cn1)OCC 587908771 BMYQKAFVMCOFCH-UHFFFAOYSA-N 348.830 3.344 30 1 EGEF N#C/C(=N\Nc1cc(F)c(F)c(F)c1)C(=O)c1noc2ccccc12 1772620968 KUUHEHTZHVFFDO-WSDLNYQXSA-N 344.252 3.419 30 1 EGEF C=CCc1ccc(OC)c(-c2cc(COCC(=O)OCC)on2)c1 1857576483 HTFFSXKLBSBQDX-UHFFFAOYSA-N 331.368 3.158 30 1 EGEF C[C@@H]1C[C@H](O)[C@]2(C)[C@H](C=O)[C@H](O)CC[C@@H]2[C@]1(C)CCc1ccoc1 2356410639 QISIBMBISMJJDX-UCWRTCFCSA-N 334.456 3.212 30 1 EGEF C=C1CC[C@H]2CC[C@H]3C(=O)NC(=C[C@@H](C)CC(=O)C1)[C@@]3(O)C2(C)C 2356381375 KFRPDESGMXVVHV-JZJQHEAOSA-N 331.456 3.119 30 1 EGEF COc1cc(/C=[N+](\[O-])Cc2ccccc2)c(Br)cc1O 66251239 GLHCZTWIRWLTEH-YVLHZVERSA-N 336.185 3.293 30 1 EGEF C=C1[C@H]2CC(=O)[C@@H]([C@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C 257531812 RJNJFKDVPIFVPQ-GZOAKEPSSA-N 336.472 3.379 30 1 EGEF endogenous,in-man COc1ccc(Cl)cc1C#Cc1ccc(S(C)(=O)=O)cc1C 587917398 JAUQFVUKMFTWJE-UHFFFAOYSA-N 334.824 3.460 30 1 EGEF C[N+](C)(CC(=O)c1ccc(-c2ccccc2)cc1)CC1OCCCO1 13649945 GXIMPLWXZHVDIN-UHFFFAOYSA-N 340.443 3.376 30 1 EGEF COc1c(O)c(C(=O)C=Cc2ccccc2)c(OC)c(OC)c1OC 2356761144 LETBAZLAGJPEIM-UHFFFAOYSA-N 344.363 3.323 30 1 EGEF C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(\C)CC[C@H](O)[C@]2(C)CC[C@@H]1O2 211906930 LJAXIDCBOWLLHK-XETLATHBSA-N 334.456 3.048 30 1 EGEF COc1ccc(N[C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)cc1 40402791 ULSOSJFIPXSKPO-HXUWFJFHSA-N 349.386 3.461 30 1 EGEF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2cccc(C)c2)[C@@H]1C#N 95667385 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N#Cc1ccc(/C(=C\C[C@H](N)C(=O)O)c2ccc(F)cc2F)cc1 28769513 KEAJHTZYSWBADO-VRXKTSEUSA-N 328.318 3.070 30 1 EGEF N#Cc1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)Nc1ccccc1 28702105 UZZWRMRXHXBXPU-QGZVFWFLSA-N 347.378 3.132 30 1 EGEF C=C1C[C@@H]2O[C@@H]2[C@](C)(O)CC[C@@H]2C3=C[C@H](C=C(C)C)O[C@@H]3OC[C@H]12 2356802522 SITAZKMSUFRJRQ-IXUASSNKSA-N 332.440 3.125 30 1 EGEF CC(=O)ON(/C=C\C(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 40712352 ZXLNVZQVDRZNIW-QXMHVHEDSA-N 340.335 3.272 30 1 EGEF Cc1cccnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587889531 MZPIDTOEPVALFJ-UHFFFAOYSA-N 333.218 3.407 30 1 EGEF Cc1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587888375 JYBBOHHISXAPLQ-UHFFFAOYSA-N 333.218 3.407 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc([C@H]2CNC(=O)C2)c1 587905552 ZDDINRQHJZNQPQ-MRXNPFEDSA-N 325.795 3.352 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)n(C)c2)N1 587757372 VBEOGDUKZDYCLE-JDNHERCYSA-N 348.219 3.422 30 1 EGEF C=CCONC(=C)[C@@H]1C(=O)CC(C)(C)[C@H](c2cccc(C)c2)C1=O 957684363 SJDUOMIEHUEUHU-QZTJIDSGSA-N 327.424 3.484 30 1 EGEF C#Cc1cccc(NC(=O)Nc2cccc3c2[C@H]2CCCCN2C3=O)n1 1857574155 GLDKGDSJAPIZTI-MRXNPFEDSA-N 346.390 3.388 30 1 EGEF C=CCN1C(SCc2cccc(C#N)c2)=NN/C1=C1/C=CC=CC1=O 103991085 YPPORRLROSTXFU-FBMGVBCBSA-N 348.431 3.060 30 3 EGEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C(=O)O[C@@]2(C=CC=C(C)C)CO 2356443374 JYBJATPZXXGWRQ-DSJDWBEOSA-N 332.440 3.317 30 1 EGEF Cc1nccc(C(=O)N[C@@]23CCC[C@@](C#Cc4ccccn4)(CC2)C3)n1 219398717 SHBRNDUJRSMILW-RTWAWAEBSA-N 346.434 3.055 30 1 EGEF C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]2(O)CC1 238784254 XARJWEAKRVLXPB-XCXWGBRNSA-N 332.440 3.212 30 1 EGEF C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@H](O)C1=O 238770083 OYZPDCNJODPOBW-NGDCWVQUSA-N 334.456 3.443 30 1 EGEF C[C@@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21CO 253636002 SVWJFFROLUZTEH-XTKWEWLUSA-N 332.484 3.488 30 1 EGEF C[C@@H]1CCC/C1=N\N=C1/SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 653787406 JRQAJHOAUZNUAC-MSDQLHNCSA-N 346.412 3.202 30 1 EGEF N#Cc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1C#N 587041751 PDDHRWVUHLSXGK-ZWKOTPCHSA-N 345.431 3.253 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2c(C(=O)O)cccn12 587912424 OLEPMXRHCKSBQL-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF Cc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1C 587262562 XHSOKAMJEPFROT-UHFFFAOYSA-N 337.335 3.236 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(N)cc(Br)n1 587910499 DUKHMRFMVKGCJS-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF COC(=O)c1ccc(C=O)c(C#Cc2cc(Cl)ccc2OC)c1 587899874 GPTCOVRLUJXHCU-UHFFFAOYSA-N 328.751 3.348 30 1 EGEF Oc1nc2ccc(C3=NNC(=Nc4cccc(F)c4)SC3)cc2[nH]1 1857775338 LOEGPFIMFSCPQO-UHFFFAOYSA-N 341.371 3.136 30 1 EGEF CC1=CC2=C[C@@](C)(O)C[C@@]23OC(=C(C)C3=O)CC(C)(C)C=CC1=O 2356423999 NJYLTGCMNHNUHS-WOJBJXKFSA-N 328.408 3.181 30 1 EGEF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@@](C)(O)[C@@]13C 2356519267 UMOPXPFDSBKPSK-HVSDOXBOSA-N 348.439 3.463 30 1 EGEF C=C[C@]1(C)C[C@@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@@H]1O 2356775789 BMNMZWYECBBAJT-VOOFSGFHSA-N 327.424 3.308 30 1 EGEF CC(C)=CCC(=O)/C(C)=C/CC[C@@]1(CO)O[C@@H]1CC/C(C)=C\CO 523042416 QFOKXRAQWYQLQM-XBPRXKSPSA-N 336.472 3.487 30 1 EGEF biogenic Cc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)on1 587877020 RYAKQTMWYLRUNM-UHFFFAOYSA-N 337.206 3.195 30 1 EGEF COc1ccc(/C=C/C(=O)c2cc(OC)c(O)c(OC)c2)cc1O 45256387 FEAKHZRDDKLPCD-GQCTYLIASA-N 330.336 3.020 30 1 EGEF C=C1C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/CC[C@]3(CO)O[C@@H]3C[C@@H]12 238756446 PRUIDJLINDRLON-KTOVTDNHSA-N 332.440 3.461 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(NS(C)(=O)=O)cc1C 587919587 QRNKTUKNWCZCAQ-UHFFFAOYSA-N 349.839 3.428 30 1 EGEF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C#N 587574865 CKGVHUGVTAHKPB-YLJYHZDGSA-N 346.342 3.305 30 1 EGEF Cc1c2c(cc3c1C(=O)C(O)=C([C@@H](C)CO)C3=O)C(C)(C)CCC2 17994780 MTGILFFRPNZATK-JTQLQIEISA-N 328.408 3.428 30 1 EGEF biogenic CN1CC[C@@H](O/N=C/c2ccccc2OCc2cccc(F)c2)C1 95591348 XMEJMHNRVBTEHT-AGKWGAAGSA-N 328.387 3.459 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(C(=O)O)c1O 587900871 VPYDRKQYQPIQBI-UHFFFAOYSA-N 347.710 3.060 30 1 EGEF COCCCCN=c1ccc(C#Cc2cc(Cl)ccc2OC)c[nH]1 587907957 IWVYGFWNWURCOX-UHFFFAOYSA-N 344.842 3.404 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N)c(C#N)c1Cl)O2 587408847 DTUICIDXKSMDJV-NSHDSACASA-N 333.800 3.453 30 1 EGEF N#Cc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1 13677192 REIWMNXHJFEQDH-UHFFFAOYSA-N 332.359 3.168 30 1 EGEF CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O 169373429 LRKPGEPWOYCDIU-PQRPAYQKSA-N 346.467 3.293 30 1 EGEF COC(=O)C1=C[C@@H]2[C@H](C[C@]3(C)O[C@@H]3CC1)[C@@H]1[C@](C)(O)CC[C@@]21C(C)C 2356395080 KOSKWRWCBDIGCT-HNDIGTQLSA-N 348.483 3.477 30 1 EGEF CC1(C)CCC[C@@]2(C)[C@@H]3C=C4C(=CC(=O)[C@H](O)[C@@H]4O)O[C@@]3(C)CC[C@H]12 2356537662 ATEPQLOVXUBFRA-OVDOOKCHSA-N 346.467 3.133 30 1 EGEF CC1=C2C[C@@H]3O[C@]3(C)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](OC(=O)CC(C)C)C1 2356583675 DFAANSZXNZEUGY-XLTPSWIPSA-N 348.439 3.020 30 1 EGEF CCOc1ccc(Oc2ncc(C#C[C@@H](C)NC(C)=O)s2)cc1 34985727 MMIUJCZQUWEPNG-GFCCVEGCSA-N 330.409 3.210 30 1 EGEF N#Cc1cccc(-c2nc(N3CCC(CO)CC3)cc3cccnc23)c1 38422183 MAYWACNVGOUYEQ-UHFFFAOYSA-N 344.418 3.377 30 1 EGEF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@H](O)/C(C)=C/CC/C(C)=C/C[C@@H]2O 238751315 VQNZCESYUXUBIE-IYKLIQKMSA-N 334.456 3.443 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)CC(C)=CCC/C(C)=C\[C@H](O)C[C@@H]2C 299844417 GQTPRLWQZDUWKJ-LAQOIXIDSA-N 334.456 3.299 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(C2(CO)COC2)c1 587904225 FORAYHBZRIEKME-UHFFFAOYSA-N 328.795 3.009 30 1 EGEF C=CCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662231 YERICRSJJBWDLS-UHFFFAOYSA-N 339.395 3.111 30 1 EGEF COC1=CC(=O)C(OC)=C(CCCCCCCCCCCO)C1=O 1772638283 NUZVXUDJYOJLPK-UHFFFAOYSA-N 338.444 3.462 30 1 EGEF CC[P@](=O)(c1ccccc1)N(Cc1ccccc1)[C@H](C)C(=O)NO 13782652 FTSDPRIBDLXKCA-MYYSRTQBSA-N 346.367 3.006 30 1 EGEF CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1C[C@H]3C(C)(C)CCC[C@@]23C(=O)O1 100783624 ZGIOOTXNBWWRKD-NLQQUQSOSA-N 344.407 3.045 30 1 EGEF endogenous,in-man C=CCN=c1[nH]c2c(s1)C[C@]1(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@H]1[C@H]2C 2356645953 KUCHAKYMINHPEX-ISMYDWCBSA-N 346.496 3.417 30 1 EGEF N#Cc1c(-c2ccccc2O)cc(-c2nc3ccccc3[nH]2)nc1N 96933520 DQZIWFUONCHCTM-UHFFFAOYSA-N 327.347 3.451 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(OC)c1N 587899996 KNGXICKPVHWTLB-UHFFFAOYSA-N 332.743 3.247 30 1 EGEF C[C@]1(CCCC=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600595 BKAXAZRXXASCNL-QFBILLFUSA-N 326.348 3.482 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)N(C)OC)cc1 587905168 NQGVUWVLCGYTFG-UHFFFAOYSA-N 329.783 3.382 30 1 EGEF N#CCCCN1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 1772632211 USRWADYNRKCABH-UHFFFAOYSA-N 340.254 3.491 30 1 EGEF C#C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc2ccccc12 2356305329 VJRSPJGLKGDSJB-BPQIPLTHSA-N 349.503 3.470 30 1 EGEF CCCOc1ccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cn1 113412088 OODNZNYDSZXINZ-INIZCTEOSA-N 336.435 3.337 30 1 EGEF C=C(C)[C@@H]1C[C@]2(C)[C@H](C)[C@H](OC(=O)C(C)=CC)CC[C@H]2[C@@H](O)C1=O 2356511813 OYZPDCNJODPOBW-NMSPONJBSA-N 334.456 3.443 30 1 EGEF C=CCN1C(=O)N(Cc2ccccc2)c2ccccc2S1(=O)=O 96021218 FRAUEHZLRCMOSX-UHFFFAOYSA-N 328.393 3.004 30 3 EGEF N#Cc1cc2nc(-c3cccc(N)c3C(=O)O)[nH]c2cc1C(F)(F)F 587248042 ATAGHIKAQKRZGN-UHFFFAOYSA-N 346.268 3.401 30 1 EGEF CCCOc1ccc(-c2nc(C)c(/C(C)=N/NC(=N)N)s2)cc1 1772584685 DAHLWORJCQEZFA-RGVLZGJSSA-N 331.445 3.114 30 1 EGEF CC(C)c1cc2c(c(O)c1O)C[C@@]1(C)OC(=O)C(C)(C)C1=CC2=O 2356401182 VWDTYTXWQOGSRA-LJQANCHMSA-N 330.380 3.228 30 1 EGEF O=C(NO)c1cc2ccc(CNCCc3ccccc3)cc2s1 28900061 UALLGCWIGMYDLG-UHFFFAOYSA-N 326.421 3.353 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCCC(C)=CCC[C@]3(CO)O[C@@H]3C[C@@H]12 2356579085 PRUIDJLINDRLON-JRBPQWBISA-N 332.440 3.461 30 1 EGEF Cc1cc(C)cc(Oc2ccc(/C(=N/O)NC[C@H]3CCCO3)cn2)c1 72183319 SILVSNBCHLQLCZ-MRXNPFEDSA-N 341.411 3.395 30 1 EGEF CC1=C(c2ccc3nc(-c4ccc(C)c(C#N)c4)[nH]c3c2)NNC(=O)C1 587188541 QBDWKOFSWCASQX-UHFFFAOYSA-N 343.390 3.166 30 1 EGEF CNCc1cc(C#Cc2cc(Cl)ccc2OC)ccc1[N+](=O)[O-] 587902028 FYHWPKFOMKERSP-UHFFFAOYSA-N 330.771 3.376 30 1 EGEF CCOC(=O)c1nc2ccccc2nc1C#Cc1ccccc1OC 1772615133 FOLXSMCHLAVLAD-UHFFFAOYSA-N 332.359 3.215 30 1 EGEF N/C(=N\c1ccc([N+](=O)[O-])cc1)N1Cc2cccc3c2[C@@H](CCC3)C1 27768847 JBRHXMPXMURDBG-HNNXBMFYSA-N 336.395 3.477 30 1 EGEF CCCCCCCN(C(=O)Cc1ccc(OC)cc1)[C@@H](CC)C(N)=O 43397160 BQADXAKWRNXXQF-SFHVURJKSA-N 348.487 3.301 30 1 EGEF C=C1[C@H]2CC(=O)[C@H]([C@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C 257531811 RJNJFKDVPIFVPQ-ARUNDJTASA-N 336.472 3.379 30 1 EGEF endogenous,in-man COC(=O)c1cccc([N+](=O)[O-])c1C#Cc1cc(Cl)ccc1OC 587901443 COGGNTZKXSSHMW-UHFFFAOYSA-N 345.738 3.443 30 1 EGEF COC(=O)c1cc(O)c(F)cc1C#Cc1cc(Cl)ccc1OC 587915185 JYUBJGGOKKLDDZ-UHFFFAOYSA-N 334.730 3.380 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C)c2nc(CCN)cn2c1 587912349 FMQWDNKKQIMATL-UHFFFAOYSA-N 339.826 3.206 30 1 EGEF C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(F)cc4[C@H]3[C@@H](OC)C[C@@]21C 13651612 LNXHYFXPOXZQJP-OCIQKRMFSA-N 344.426 3.377 30 1 EGEF CC(C)(C)ONC(=O)c1cc(/N=C/c2cc(O)ccc2O)ccc1O 27990971 ZFSPTZPQHFFVNF-VXLYETTFSA-N 344.367 3.014 30 1 EGEF N#Cc1cccc(-c2nc(N)c3cc(CN4CC=CC4)sc3n2)c1 118591857 VSGVXLNJKUNUDA-UHFFFAOYSA-N 333.420 3.184 30 1 EGEF CCCCCCCCCCCCC[C@H](O)CC(=O)OC(CO)CO 2356488730 YHYWNEBXLDWAGK-KRWDZBQOSA-N 346.508 3.335 30 1 EGEF CC=C(C)C(=O)O[C@@H]1CC(C)=CCC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]12 2356630174 FKJVDTHEVUYSKQ-OOBKVVHMSA-N 348.439 3.330 30 1 EGEF C=C[C@]1(C)CC[C@]2(C)[C@H](C1)C(=O)[C@@H](O)[C@H]1[C@]3(C)CCC[C@@]12OC3=O 238736617 LLZLGNRWPHGJGY-KROMWHGZSA-N 332.440 3.031 30 1 EGEF C/C(=N\N=C1/SCC(=O)N1Cc1cccc(F)c1)c1ccccn1 653915939 BAIJOOZGDWTCCB-HYHUQASNSA-N 342.399 3.076 30 1 EGEF Cc1cnccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587879541 SWSXVIPNBLCJRT-UHFFFAOYSA-N 333.218 3.407 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccnc(N2CCCC2=O)c1 587905014 GWJOCMAKCRJXPB-UHFFFAOYSA-N 326.783 3.270 30 1 EGEF O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)c(/C=N/C3CC3)c2O)cc1 104103278 JEYMMGIVMCDYGS-CNHKJKLMSA-N 340.261 3.086 30 1 EGEF C#CCSc1nc2scc(C)c2c(=O)n1-c1ccc(OC)cc1 28949077 LMSTZRJBSLRLIR-UHFFFAOYSA-N 342.445 3.490 30 1 EGEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C3=C(C)C=CC(=O)[C@]3(C)CC[C@@H]21 2356537943 LYOAWHWPLHHFLL-PQTDTLSBSA-N 344.407 3.052 30 1 EGEF CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@H]1CC=CCC1 26837466 CMMYHGLFWPAMJF-FPOVZHCZSA-N 325.452 3.193 30 1 EGEF CCCC/C=C/C#CC#CCCCCCCCC(=O)OC[C@@H](O)CO 95559808 GAWUOGRKCBFNIA-XJDXJNMNSA-N 348.483 3.367 30 1 EGEF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(F)c3)c(C#N)c2c1 587650401 UMOHQCDVIUJEAV-UHFFFAOYSA-N 332.331 3.388 30 1 EGEF COc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 587889999 JVAHFMYRTYGBOU-UHFFFAOYSA-N 349.217 3.107 30 1 EGEF Cc1cc(C#Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1[N+](=O)[O-] 587262870 ZZSZJWBGRBIENY-UHFFFAOYSA-N 340.270 3.227 30 1 EGEF CC(C)C[C@@H](CC#N)N1CCN(CCc2ccccc2)CCC1=O 12474745 VWPRTGACFYIKHQ-LJQANCHMSA-N 327.472 3.092 30 3 EGEF CC(C)=CC(=O)O[C@@H]1CCC(C)(C)[C@]2(C)[C@]1(C)C[C@H](CO)[C@]21CO1 2356532167 SKEVLCWFNQWZAL-UYUBTLJZSA-N 336.472 3.478 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2C(=CC[C@@H]3OC3(C)C)CO[C@@H](O)[C@H]12 2356540869 BKEVIEYLBYCAMR-UJWQCDCRSA-N 334.456 3.109 30 1 EGEF CC(C)=CCC(=O)C(C)=CCC[C@@]1(CO)O[C@@H]1CCC(C)=CCO 2356648802 QFOKXRAQWYQLQM-UXHICEINSA-N 336.472 3.487 30 1 EGEF C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O 40394769 ROPZFDGMJDAXOR-LPWQTFTOSA-N 332.440 3.200 30 1 EGEF biogenic,in-vitro C[C@@H](CNC(=O)c1ccccc1O)/N=C/c1c(O)ccc2ccccc12 49055453 PHHOEEFNAQYLDD-KOUDTOEKSA-N 348.402 3.488 30 1 EGEF C[C@]1(CO)CCC[C@]2(C)c3cc4c(cc3C(=O)C[C@@H]12)C(=O)C=CC4=O 473169981 PCQUPBXXGWSGMS-PWRODBHTSA-N 338.403 3.265 30 1 EGEF N#Cc1cc(Cl)c2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2c1 587128089 GHBZSYQUICWWKB-UHFFFAOYSA-N 345.700 3.130 30 1 EGEF O=C1C=CN(Cc2ccc(F)cc2)C(=O)[C@@H]1Cc1ccc(F)cc1 957654790 VXEIFCAOBORRHU-QGZVFWFLSA-N 327.330 3.249 30 1 EGEF C=C1C(=O)OC[C@@H]1[C@H](O)c1cn(CC2CC2)c2ccc(Cl)cc12 1857549120 ZMZSASRGAKDEIN-DOTOQJQBSA-N 331.799 3.467 30 1 EGEF COc1ccc2cc1Oc1ccc(cc1)[C@H]1O[C@H]1COC(=O)CC2 26737775 KSQLEJQOXHLRAH-PKOBYXMFSA-N 326.348 3.417 30 1 EGEF C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(\C)CC[C@H]2O[C@@H]1CC[C@]2(C)O 238785074 DUEYDKGXQKDGHI-VCEMBVCWSA-N 334.456 3.048 30 1 EGEF C=CCCCc1cc(O)c(C(=O)CCCCCCC(=O)O)c(=O)o1 95583687 WDNCKDPBXCNRFR-UHFFFAOYSA-N 336.384 3.462 30 1 EGEF CC#CCCCCCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 587957266 UUMMKTZYIUOYHZ-UHFFFAOYSA-N 333.457 3.117 30 1 EGEF Cc1ccc(C(=O)/C=C\c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587964691 BGQMKFJGOUEHAA-KTKRTIGZSA-N 340.404 3.171 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(N2C(=O)C=CC2=O)c1 587905476 WPUYPWPFRGWREP-UHFFFAOYSA-N 337.762 3.178 30 1 EGEF N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4055590 OFZBWMAOTOZJBJ-GOEBONIOSA-N 343.770 3.055 30 1 EGEF C/C(C[C@H]1C=Cc2ccc(C(=O)O)c(O)c2N1)=C1/C=CC(=O)C(O)=C1 103217887 HFALPRIZPBBPML-RSKUSDAESA-N 339.347 3.185 30 1 EGEF N#Cc1ccc(Nc2nc(Cc3c(F)cccc3F)cc(=O)[nH]2)cc1 73313799 OEDCZGQYBVMDJM-UHFFFAOYSA-N 338.317 3.254 30 1 EGEF N#Cc1ccc(Nc2nccc(/C(=N\O)c3ccc(F)cc3)n2)cc1 49073000 FMFFYPOQDDBDIE-ULJHMMPZSA-N 333.326 3.458 30 1 EGEF CC1CCN(C[C@@H]2C(=O)O[C@@]34[C@H]2CC[C@@H](C)[C@H]3CC[C@@]2(C)O[C@H]24)CC1 82052043 AHWYTPJLSKLEDB-HWPXFKOISA-N 347.499 3.244 30 1 EGEF C=C[C@@H]1[C@@H](C(=O)OC)CC[C@@H]2[C@H]1CC[C@@H]1C(C)(C)[C@H](O)C(=O)C[C@@]12C 238744250 OZCCIQWXTAYLLL-ZFVZRCHVSA-N 348.483 3.380 30 1 EGEF O=c1oc2ccccc2cc1-c1nnc(/N=C/c2ccccc2O)o1 98083665 HUJOEOOGMMXTSR-VXLYETTFSA-N 333.303 3.299 30 1 EGEF CC(C)(C)C(=O)N[C@H](C(=O)NO)c1ccc(-c2ccsc2)cc1 653791346 MHNLFRWKFJGARR-AWEZNQCLSA-N 332.425 3.124 30 1 EGEF COc1ccc([C@@]2([C@H](F)C#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 587383880 WXIVTDYTFUNXEG-IEBWSBKVSA-N 340.354 3.308 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2sc(C(=O)O)cn12 587920701 KUPQDSBPLZROPA-UHFFFAOYSA-N 332.768 3.156 30 1 EGEF COC(=O)c1cc(N)c(F)c(C#Cc2cc(Cl)ccc2OC)c1 587915358 MDVGHJBFSHJCES-UHFFFAOYSA-N 333.746 3.256 30 1 EGEF N#CC[C@]1(C2CCC2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962661710 ICRVRJZUFFWURA-LEWJYISDSA-N 349.434 3.242 30 1 EGEF COC1=C/C(=C/NNc2ccc(C)cc2)C=C(Br)C1=O 15953027 JMLCTYHWJBCVAD-PKNBQFBNSA-N 335.201 3.187 30 3 EGEF CC(=O)C(=Cc1ccc(O[C@@H](C)C(=O)O)c(Cl)c1Cl)C(C)=O 169340590 IVYPZWONYGGPHE-VIFPVBQESA-N 345.178 3.407 30 1 EGEF C=C1C(=O)OC[C@@H]1[C@@H](O)c1cn(Cc2ccccc2)c2ccccc12 1857547789 JQQWSATWNPDPGK-ICSRJNTNSA-N 333.387 3.452 30 1 EGEF C=CCn1c(=O)c(N/N=C/c2ccccc2OC)nc2ccccc21 66103073 ZFYRDDLUEZBXEX-DEDYPNTBSA-N 334.379 3.037 30 1 EGEF CC(=O)O[C@@H]1CCC2=CCC[C@H](C)[C@]2(C)[C@@H]2O[C@]2(C)[C@@H]1OC(C)=O 2356781376 BBKOWFMHJNGPFC-GVSRDHDUSA-N 336.428 3.164 30 1 EGEF CCC=CC[C@@H](O)[C@@H](O)C=CC(=O)CCCCCCCC(=O)O 2356849654 PLHUEKVESBJIRC-SJORKVTESA-N 326.433 3.005 30 1 EGEF N#C[C@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 221194273 XJSBRSVRXPBILK-IAQYHMDHSA-N 327.363 3.120 30 1 EGEF C/C(=N/N=c1/[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1)c1nccs1 95576084 QHJLUYNLVVWRRH-MFOYZWKCSA-N 345.409 3.433 30 1 EGEF Cc1ccc(C(=O)NC2CCCC2)cc1C#Cc1cnc2ccnn2c1 95590119 VUJQGYIVERKNSC-UHFFFAOYSA-N 344.418 3.110 30 1 EGEF Cc1c(F)ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12 587261423 BHWLFWUPFMBXID-UHFFFAOYSA-N 341.298 3.067 30 1 EGEF COC1=C/C(=C/NN2[C@H](C)CCC[C@H]2C)C=C(Br)C1=O 13119086 GYZPGHGXHKDAMG-SHEYXZMNSA-N 341.249 3.030 30 3 EGEF COCCNc1nc(-c2ccc(C#N)s2)nc2c1ncn2C(C)C 14947373 MPDZPANBPHWFQF-UHFFFAOYSA-N 342.428 3.066 30 1 EGEF CCCCCCCCN1C=N[C@@H]2C(=O)NC(Cc3ccccc3)=N[C@@H]21 1857577538 ARZUNTANKQVOPO-RBUKOAKNSA-N 340.471 3.157 30 1 EGEF COC(=O)[C@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@H]2CC=C(C)C 103237213 LUIKELAQLPRGNL-QRWLVFNGSA-N 344.407 3.424 30 1 EGEF N#Cc1ccccc1S(=O)(=O)Nc1nc2cc(Cl)ccc2o1 28572620 BJBQKRZFLQFSNQ-UHFFFAOYSA-N 333.756 3.154 30 1 EGEF CC1(C)O[C@@H]1Cc1c(O)ccc2c1O[C@H]1c3ccc(O)cc3OC[C@H]21 2356732511 VFEZVGIIHWZKLN-BJZITVGISA-N 340.375 3.427 30 1 EGEF C=C[C@H]1C[N+]2([O-])CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 31168722 WVDIZKMXQMCCAA-DXWSYWAZSA-N 340.423 3.186 30 1 EGEF C[C@@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@H]3O[C@]32C)[C@@]12C[C@H](c1ccoc1)OC2=O 238777219 ISOVADWDKCQELP-XKHLLUSQSA-N 344.407 3.149 30 1 EGEF C=C1C(=O)OC[C@@H]1CCOC(=O)Nc1ccc(Br)cc1 299858583 DWDCQCBZNVKJIC-JTQLQIEISA-N 340.173 3.117 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(/C)[C@@H](O)CC/C(C)=C\CC[C@]2(C)O 169291719 ASSMVNDLURCOIV-GCCCRHBVSA-N 334.456 3.443 30 1 EGEF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@H](O)C(C)=CCC=C(C)CC[C@H]2O 2356539431 OASCGMGKXPPAEW-GNBUJSLZSA-N 334.456 3.443 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@@H]12 2356550954 OMDUJIAGTIZPFC-VSZNYVQBSA-N 346.423 3.010 30 1 EGEF C=C(C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C(=O)OC 238731732 JPADKMRYWFMXNT-WNJKXWAASA-N 346.423 3.380 30 1 EGEF CCOC(=O)[C@H](C#N)[C@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587386187 IPAZSOCQXWMJAF-DJJJIMSYSA-N 344.411 3.030 30 1 EGEF C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@H]12 1857622905 ZDYFFPNLCUDFDB-FJEWGBTGSA-N 328.452 3.472 30 1 EGEF C=C(C)n1c(=O)n(C(=O)c2cccc(C)c2)c2ccc([N+](=O)[O-])cc21 1857753676 SUWKTNMCMFLHJQ-UHFFFAOYSA-N 337.335 3.199 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc2c(C#N)c(OC)ccn12 587912619 TYAWEOZXVHJXHR-UHFFFAOYSA-N 337.766 3.276 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(-c2no[nH]c2=N)cc1 587906735 QGVNGAYMKQJRDN-UHFFFAOYSA-N 325.755 3.211 30 1 EGEF CCOC(=O)c1nc(O)ccc1C#Cc1cc(Cl)ccc1OC 587903423 QLGKECDSSDYCBU-UHFFFAOYSA-N 331.755 3.026 30 1 EGEF C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 12349508 GADRAPGGBTTXBC-KRWDZBQOSA-N 348.761 3.119 30 1 EGEF C=CCC1=C[C@]2([C@H](C)Cc3ccc4c(c3)OCO4)OCOC2=CC1=O 2356690235 PZLCJTIYVMBKSJ-ZUOKHONESA-N 340.375 3.306 30 1 EGEF Cn1c(O)c(C(=O)C=CC[C@@H](N)c2ccccc2)c(=O)c2ccccc21 2356723680 QQIXNKJWWDFANQ-MRXNPFEDSA-N 348.402 3.073 30 1 EGEF CC=C(C)[C@@H]1Oc2ncc(-c3ccc(O)cc3)c(O)c2[C@]1(C)C=O 2356782425 FCWZRGQNYIKFEE-HKUYNNGSSA-N 325.364 3.344 30 1 EGEF CC=C(C)C(=O)[C@@H]1C=C(C)CC[C@]23OC(=O)[C@H](C)[C@H]2CC(=O)[C@]13C 2356784641 PLGQNLAPGDISAV-IHFNSMRLSA-N 330.424 3.405 30 1 EGEF CC(O)=C1C(=O)c2ccccc2C1=NN=Cc1ccc([N+](=O)[O-])cc1 2356807274 WNSJDUPQCNOEQU-UHFFFAOYSA-N 335.319 3.446 30 1 EGEF COC(=O)[C@H]1C(=O)C=C(Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1C 40395077 MCHBEHPBWGBBDV-LKFCYVNXSA-N 343.301 3.279 30 1 EGEF C=C[C@](C)(O)C/C=C/[C@@]1(C)CC[C@@H]([C@@](C)(O)CC(=O)C=C(C)C)O1 95564050 HYSXHSFJFJWWOB-NNEXDMFBSA-N 336.472 3.484 30 1 EGEF C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)[C@H](O)C[C@H]12 263591407 GVKVGOGUDSJCLX-UFOPBENGSA-N 328.452 3.439 30 3 EGEF COc1cc2c(c(N)c1OC)C(=O)/C(=C/c1cc(C)c(O)c(C)c1)C2 8694 KJTPWUVVLPCPJD-VGOFMYFVSA-N 339.391 3.431 30 1 EGEF N#Cc1ccc(-c2nn(-c3ccccc3)cc2Cn2cncn2)cc1 1772578097 BJUHLSIFKBGOJD-UHFFFAOYSA-N 326.363 3.051 30 1 EGEF Cc1cccc2oc(=O)c3c(c12)O[C@@H](C)[C@@]3(C)CC(=O)[C@@H]1OC1(C)C 14950836 QMWJPFXMOOPDTD-PJFOTGOESA-N 342.391 3.277 30 1 EGEF CCCCOc1cccc(/C(O)=C2\C(=O)CN([C@@H](C)CC)C2=O)c1 103296128 SWUCUEJEIJZYHE-FKEVTRRJSA-N 331.412 3.344 30 1 EGEF CC[C@@H](C)C=C(C)C=CC1=CC2=C(O)C(=O)[C@](C)(O)C(=O)C2=CO1 2356588198 LNWIOAGOUVWVSQ-NSPYISDASA-N 330.380 3.048 30 1 EGEF CSCCN/C(=N\O)c1ccc(C)nc1OCc1ccccc1F 72103425 GNXFORVBZCTKDO-UHFFFAOYSA-N 349.431 3.197 30 1 EGEF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccncc4)[C@H]3C[C@H]12 82052835 WOKZYNDYKZBGGS-DRJBRKBZSA-N 340.467 3.485 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238778337 QFINJHBXXJQKPB-WQMHIQNUSA-N 346.423 3.010 30 1 EGEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)C1=C[C@@H](O)OC1=O 257536807 RWRUMHLQHKUMDS-XFEYQPKCSA-N 334.456 3.338 30 1 EGEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587189972 HCSSVWBQSZIQAL-SECBINFHSA-N 325.299 3.412 30 1 EGEF COc1cc(C#Cc2cc(Cl)ccc2OC)c(OC)c(C(=O)O)c1 587900195 NHIFEWYFHSIKBK-UHFFFAOYSA-N 346.766 3.464 30 1 EGEF N#Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587589546 XWFDHRZHQIBVJD-YLJYHZDGSA-N 344.326 3.362 30 1 EGEF COc1cc2c3c(c1)O[C@@H](c1ccc(C#N)c(SC)n1)[C@@H](C2)C3=O 587449057 AKIMDLUOBDQIQA-YVEFUNNKSA-N 338.388 3.172 30 1 EGEF C#CCn1cc(CN2CCCCC2)c2cc(Br)cnc21 1857649054 WTVJEVUUMDYBSI-UHFFFAOYSA-N 332.245 3.418 30 1 EGEF COc1ccc(/C=C2/Oc3cc(OC)c(O)c(OC)c3C2=O)cc1 14725465 SDBGODOJRLLNSU-RIYZIHGNSA-N 328.320 3.034 30 1 EGEF endogenous,in-man CC(C)C(=O)Nc1cccc(C(=O)/C=C2/C(=O)Nc3ccccc32)c1 1857765694 RCTXRSAGFUSOLT-LFIBNONCSA-N 334.375 3.500 30 1 EGEF CC(=O)Nc1ccc(CN2C[C@@H]3COc4ccc(C#N)cc4[C@@H]3C2)cc1 26179396 BIMVUZQTSDREEH-YLJYHZDGSA-N 347.418 3.125 30 1 EGEF COc1ccc(/C=N/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1OC 45352721 XRVWNUHUCLUKGF-DJKKODMXSA-N 343.770 3.133 30 1 EGEF COc1cccc(/C(=N/O)c2ccnc(Nc3ccc(C#N)cc3)n2)c1 49070063 QCHIVCWIISWYLE-MOHJPFBDSA-N 345.362 3.327 30 1 EGEF N#Cc1cc(Cl)c2[nH]c(CC(=O)OCc3ccccc3)nc2c1 587782414 UCAXCMFOAOEAPE-UHFFFAOYSA-N 325.755 3.374 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2sc(N)[n+]([O-])c2c1 587921268 UPLIDKWJNQLMTF-UHFFFAOYSA-N 330.796 3.179 30 1 EGEF C=CCN1C(=O)C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 5941319 XEYVVHPJJHRUPE-OOSNJVJTSA-N 339.435 3.399 30 1 EGEF CC(=O)[C@H]1CC[C@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@@H]2C1 13736583 CWLAYYXVQIWWAE-WUHRBBMRSA-N 342.391 3.134 30 1 EGEF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC(=N\O)/C2=N\N 26394260 PZRLBEKSVFUJLE-YKBSPIIISA-N 331.460 3.065 30 1 EGEF CC[C@H](Oc1ccc(Cl)cc1)C(=O)OCC#CCN(CC)CC 29463831 LJYBNXFFKLEGQG-KRWDZBQOSA-N 337.847 3.386 30 1 EGEF CC(C)CN(CC(C)C)C(=O)[C@H](CC1CCCCC1)C(=O)NCC#N 34335232 RDKVEDQCVOJMJZ-GOSISDBHSA-N 349.519 3.353 30 1 EGEF N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)c(F)c2)n1 221070536 MTIPYOJPDUMPHC-BMIGLBTASA-N 345.353 3.259 30 1 EGEF CC1=C(C)C(=O)C([C@@H](CCCC(=O)O)c2cccnc2)=C(C)C1=O 43300298 OQHXUMKNZXYDHZ-HNNXBMFYSA-N 327.380 3.225 30 1 EGEF NCc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587879536 SPDDZJQKPBUSIL-UHFFFAOYSA-N 347.245 3.163 30 1 EGEF CC1=C[C@@]2(C=CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 587822285 JPKKCQKASOMNOL-QLJPJBMISA-N 336.204 3.403 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccnc(F)c1 587896712 XGNKUBTXNRUDQI-UHFFFAOYSA-N 337.181 3.238 30 1 EGEF CC(C)(O)C=CC[C@]1(C)O[C@@H]1COc1ccc2ccc(=O)oc2c1 2356562949 KPHAWSGLVQWJHP-APWZRJJASA-N 330.380 3.047 30 1 EGEF C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3C[C@H](O)/C(C)=C/CC/C(C)=C/C[C@H]12 199203739 ZRITUCVRNQEAPN-OWQUEVDLSA-N 332.440 3.459 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)/C=C\N(C)C)n1 587910903 YCPDWNZTOZLPNQ-QXMHVHEDSA-N 340.810 3.401 30 1 EGEF COc1cccc([C@@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587429983 XZQPONRCJBTALY-OXQOHEQNSA-N 335.359 3.260 30 1 EGEF C[C@@]1(c2cccc(C#N)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962763351 KDRUBIIKFPZZKK-WMZOPIPTSA-N 344.336 3.467 30 1 EGEF O=C1O[C@@H]([C@@H](/C=N/c2cc(Cl)ccc2O)[N+](=O)[O-])c2ccccc21 169689133 LKAWNSHHDWHZTM-ZRWASNHZSA-N 346.726 3.305 30 1 EGEF COc1c(O)c(OC)c(C(=O)C=Cc2ccccc2)c(OC)c1OC 2356690971 RZSYQUHEIMQENQ-UHFFFAOYSA-N 344.363 3.323 30 1 EGEF COc1ccc(-c2nc3ccc(/C(C)=N/O)cc3[nH]2)c(OC)c1OC 84712832 MMNJUWLLDSNMCC-UFFVCSGVSA-N 341.367 3.454 30 1 EGEF COc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)c(OC)c1OC 653913897 PREWOCGJBXHGRJ-QPJJXVBHSA-N 332.327 3.453 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(N)cnc1Br 587910776 RQQBAVJFZQMXMW-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF N#Cc1ccc(Nc2nccc([C@@H](O)c3ccc(C#N)cc3)n2)cc1 1772571388 DDPBDSWJOJVWKW-SFHVURJKSA-N 327.347 3.045 30 1 EGEF CCO[C@@](C#CC1CC1)(c1cc(CC)c(C)[nH]c1=O)C(F)(F)F 5887522 GFCFCFQXNXWQIZ-INIZCTEOSA-N 327.346 3.453 30 1 EGEF CCCc1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc1 13683323 QXJCAFJJYYZPAY-UHFFFAOYSA-N 326.417 3.277 30 1 EGEF N#Cc1ccc(Oc2ccc(-c3cccc([C@@H](O)CO)n3)cc2)cc1 114591469 VDMYHNAZWWEPTP-FQEVSTJZSA-N 332.359 3.438 30 1 EGEF C=C1[C@@H]2C[C@@H]2[C@]2(C)C[C@H]3OC(=O)C(COC(=O)C=C(C)C)=C3C[C@@H]12 2356431311 LAOPDVQCVJUDMV-DDGCZPKESA-N 328.408 3.340 30 1 EGEF CC(C)(C)NCc1c(-c2ccccc2)nc2cc(C(=O)NO)ccn12 145225521 NACMMUIAIMULJV-UHFFFAOYSA-N 338.411 3.008 30 1 EGEF O=C1/C(=C/c2ccc(O)c(O)c2)[C@@H](c2ccc(O)c(O)c2)n2cccc21 653918533 QRRWGDQOWXRNRP-BNOPAZPUSA-N 349.342 3.180 30 1 EGEF N#C[C@@H](F)[C@]1(c2ccc(Cl)cc2)NCCc2c(C(=O)O)cccc21 963135007 VIOQFAHPUXRQIO-SJLPKXTDSA-N 344.773 3.289 30 1 EGEF C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@@H]2C 169334785 KPAMAOKNEWVTGG-RGZWXSTOSA-N 326.392 3.289 30 3 EGEF C=C[C@@](C)(O)CC(=O)/C=C(\C)CC/C=C(\C)[C@@H](O)C(=O)C=C(C)C 156116158 BKESAQVDKCRGEE-GHCSJARFSA-N 334.456 3.452 30 1 EGEF O=C1NC(=O)[C@@H](Cc2ccc(C(=O)/C=C/c3ccccc3)cc2)S1 3933934 AVPFVBQJFBSPIS-VGMNTSGFSA-N 337.400 3.477 30 1 EGEF CC(=C[C@H]1CC(C)=CC(=O)O1)CCC[C@H](CO)C1=CC(=O)C(C)(C)O1 2356416679 BRJHUZQYQKIANE-CVEARBPZSA-N 348.439 3.235 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(C)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356615739 IZTIJXKODZYJIM-ISIBIEBGSA-N 346.423 3.250 30 1 EGEF CC[C@@H]1S/C(=N/N=C(\C)CSc2ccc(S)cc2)NC1=O 64447834 GPDVSYNJINCAAF-RGZVIEDOSA-N 339.511 3.441 30 1 EGEF C=C(CC)C(=O)c1ccc(O[C@H](C)C(=O)O)cc1Br 28713743 QJLVLUDYSDFZLK-SECBINFHSA-N 327.174 3.450 30 1 EGEF CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)c1ccc(C#N)cc1 84705032 KGRFJDAIOMKASQ-SFHVURJKSA-N 335.407 3.265 30 1 EGEF C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3CC/C(C)=C/[C@@H](OC(=O)C=C(C)C)[C@H]12 238766505 VKLNEZVZWPYGAE-HOXNYJDOSA-N 346.423 3.250 30 1 EGEF CCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2cccc(C)c2)[C@H]1CO 95667382 FRJATLFDSIFXLK-SFHLNBCPSA-N 334.419 3.251 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 523042132 IZTIJXKODZYJIM-KKSRRGPVSA-N 346.423 3.250 30 1 EGEF biogenic COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@@H](C(=O)O)NCC2 587907568 NWCMTJPXUQCCPN-SFHVURJKSA-N 341.794 3.020 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(Cl)nc(=N)[nH]c1Cl 587903430 QVUCVPJKYNCDER-UHFFFAOYSA-N 328.586 3.258 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(CN2CCNCC2)c1 587904273 HDCSUKSLFQFYMJ-UHFFFAOYSA-N 340.854 3.154 30 1 EGEF CS(=O)(=O)c1ccc2[nH]c(-c3cc(F)cc(F)c3)c(C#N)c2c1 587649496 KBMJNBJMAASQPH-UHFFFAOYSA-N 332.331 3.388 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(C#N)c2)N1 587775685 UBDMKWHLTBVFPC-ABKXIKBNSA-N 346.203 3.478 30 1 EGEF COc1ccc(/C=C2\CN(CC(=O)O)c3ccc(C)cc3C2=O)cc1 103207321 MZGCLIMMUZDCPO-XNTDXEJSSA-N 337.375 3.175 30 1 EGEF C[C@H](Nc1ncc(C#N)c(OC[C@@H]2CCCCO2)n1)c1ccccc1 40410796 LUTZKGPIPXGJOV-YOEHRIQHSA-N 338.411 3.469 30 1 EGEF CO[C@H]1CCC2(Oc3cccc4cccc(c34)O2)C2=C1C(=O)C=CC2=O 86034287 LHCSRRCODDHFNE-HNNXBMFYSA-N 348.354 3.121 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(N2CCNCC2)c(C)c1 587902122 KUZHQLHGULWJCJ-UHFFFAOYSA-N 340.854 3.466 30 1 EGEF C#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587587420 MSKNABYFAIBDMG-WIYYLYMNSA-N 343.338 3.471 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)CS(=O)(=O)C2 587918680 DVDZNEZWFDZRGG-UHFFFAOYSA-N 332.808 3.177 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(C(=O)O)n[nH]c2c1 587907337 JGSQABJKRPMYBL-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF CNc1nc(Nc2cnn(C(C)(C)C#N)c2C)ncc1C(F)(F)F 103260602 BMKSPRZCAMDYCM-UHFFFAOYSA-N 339.325 3.044 30 1 EGEF C=C1CC[C@H]2[C@](C)(CC[C@H]3OC[C@@]23C)[C@H]1CC=C1C(=O)OC[C@@H]1O 2356648714 NSMZHQPCABSPEV-YDWUEFBCSA-N 332.440 3.008 30 1 EGEF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@H]2CC[C@H]3C[C@]21[C@@H]1O[C@H]31 2356758811 JNHXFBNCZCMHFO-YTBZGTLSSA-N 348.483 3.311 30 1 EGEF C[C@H](O)CC1=C(O)C2=C[C@H]3OC[C@@]4(C)CCC[C@](C)(C2=C(O)C1=O)[C@H]34 238757783 LTQUMHRNDPWQLR-MKFHUVNASA-N 346.423 3.116 30 1 EGEF COc1cc2oc(C)cc(=O)c2c(O)c1CCC1=CC(=O)C[C@H](C)O1 13385302 FFCFVSMYTTVAHJ-JTQLQIEISA-N 344.363 3.010 30 1 EGEF biogenic,in-vitro CCCCCCCCCCC/C(O)=C1/C(=O)N[C@@H](CCO)C1=O 169309533 CNVVGUWHRFHJCD-DQHOPXMZSA-N 325.449 3.169 30 1 EGEF Cc1c[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4ccccc4[nH]1)C3=CC2=O 27655767 XSIHIAJHMICCIT-YEJXKQKISA-N 343.386 3.298 30 1 EGEF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C=CC1=CC(=O)O[C@H]1O 2356617611 KJASBNIUXGTDRP-VXXKDZQQSA-N 330.424 3.322 30 1 EGEF Cc1ccc2nc(NC(=O)CCCCCCC(=O)NO)sc2c1 73402763 PZSZNTMUTACLMK-UHFFFAOYSA-N 335.429 3.389 30 1 EGEF N#Cc1cc(NC(O)=C2N=NN=N2)cc(NC(O)=C2N=NN=N2)c1 140909180 IBFXGZKAAMXWHM-UHFFFAOYSA-N 325.252 3.417 30 1 EGEF CC1(C)[C@@H]2C[C@@H]1CC(=C\c1ccc([N+](=O)[O-])cc1)/C2=N\NC(N)=S 1772650889 NYDDYBQAUPOWLO-LMJBLZMRSA-N 344.440 3.233 30 1 EGEF Cc1cccc2oc(=O)c3c(c12)O[C@H](C)[C@@]3(C)CC(=O)[C@@H]1OC1(C)C 14950840 QMWJPFXMOOPDTD-CGQHOMIXSA-N 342.391 3.277 30 1 EGEF biogenic Cc1ncncc1-c1ccc([C@@H](C(=O)NO)c2ccccc2F)cc1 1857611273 FWBWKCSAAOHVRU-GOSISDBHSA-N 337.354 3.228 30 1 EGEF C=CC[C@@]12C[C@@]3(OCOC3=CC1=O)[C@@H](C)[C@@H]2c1ccc2c(c1)OCO2 2356335776 CPRHYOIFRQCXFD-MTBPISGOSA-N 340.375 3.311 30 1 EGEF O=C(/C=C/c1cn([C@@H](/C=C/c2ccccc2)C2CCCC2)nn1)NO 72176736 ULOIGOITUFWHFP-VPQVLZGYSA-N 338.411 3.241 30 1 EGEF CO/N=C(/Cc1ccc(OC)cc1)c1ccc(OC)c(OC)c1OC 73413436 HNVUVPILHDYIBF-SILNSSARSA-N 345.395 3.314 30 1 EGEF CC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C1 95604547 WYLOJAYZCULHLF-IBGZPJMESA-N 341.432 3.338 30 3 EGEF CN(C)OC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1 96914799 APCCPKWIRRVIJX-AWEZNQCLSA-N 331.243 3.096 30 1 EGEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 257401885 CZEMYYICWZPENF-DLDREWTLSA-N 348.439 3.076 30 1 EGEF endogenous,in-man Cc1cc(Cl)ccc1C#Cc1nc2c(S)nc(S)nc2[nH]1 587066351 ANSLDMHFTSYDIR-UHFFFAOYSA-N 332.841 3.292 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1O[C@@H](C)C(N)=O 587902527 GTXYORUPEMGYIA-LBPRGKRZSA-N 329.783 3.001 30 1 EGEF CCCCCCCCCCCCO[C@H]1[C@H](OC)O[C@@H](C)[C@H](O)[C@H]1O 1772637089 VRATYTLVCBPHQN-NTZUZEMLSA-N 346.508 3.406 30 1 EGEF C[C@@H](C#N)Cn1nc(-c2ccc(OCc3ccccc3)cc2)oc1=O 13826734 IUNFSYRDVZXWBA-AWEZNQCLSA-N 335.363 3.242 30 1 EGEF CC(C)C1=CC2=C(C(=O)C1=O)[C@]13CCCC(C)(C)[C@H]1C[C@@H]2OC3=O 102967528 MWAYCDXOVYWQPR-MNVSYLFESA-N 328.408 3.159 30 1 EGEF CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCO)[C@@]13C(=O)O 101354837 LRKPGEPWOYCDIU-PINGQMQUSA-N 346.467 3.293 30 1 EGEF CC(C)(O)[C@@H]1Cc2c(ccc(C(=O)C=Cc3ccc(O)cc3)c2O)O1 2356604562 ZRPXWNBCRBPVHB-SFHVURJKSA-N 340.375 3.068 30 1 EGEF C[C@@H](C=O)CCCCCCCCCCC(=CC(=O)O)CNC(=N)N 2356766414 FGQSTEPCOKUMHJ-OAHLLOKOSA-N 339.480 3.216 30 1 EGEF N#Cc1ccc(NC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1 263590598 AUZHCCCZSYMACF-SPUZQDLCSA-N 325.412 3.370 30 3 EGEF C=CCOC(=O)C1=C[C@H](C(C)(C)C)[C@@H](CCCO)[C@H](OCC)O1 12482749 LKAVYBCCIVHXNN-JKIFEVAISA-N 326.433 3.043 30 3 EGEF C=C1[C@@H](OC(=O)CC(C)C)C[C@@H](C(C)C)[C@@H]2[C@@H]1CC(=O)[C@@H]2[C@@H](C)O 13337084 RJNJFKDVPIFVPQ-QVTYOBMESA-N 336.472 3.379 30 1 EGEF in-man CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc3c(c2)CCC3=O)cc1 169706190 XDTQNYIEZPYPGE-HNNXBMFYSA-N 331.415 3.282 30 1 EGEF C#Cc1cccc(Nc2ncnc3c(OC)c(OC)c(OC)cc23)c1 1857750506 BVAJFGAWJXUQBU-UHFFFAOYSA-N 335.363 3.381 30 1 EGEF N#Cc1cc(-n2c3c(c4ccccc42)C(=O)CCC3)ccc1C(N)=O 29046222 PXKKXRLGNFNJNZ-UHFFFAOYSA-N 329.359 3.120 30 1 EGEF C#C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(SC)c1 2356301599 WZUGEQTVBPESNO-IJEWVQPXSA-N 345.537 3.039 30 1 EGEF CCCC(=NOCC)C1=C(O)C[C@H]([C@@H]2CCC[S@](=O)C2)CC1=O 2356859506 SVKHAVSUBSUFBQ-PSVOKBTDSA-N 341.473 3.129 30 1 EGEF Oc1ncn(C[C@]2(c3ccc(F)cc3)O[C@@H]2c2ccccc2Cl)n1 2356875617 ZSDOCYUTMYKRND-NVXWUHKLSA-N 345.761 3.443 30 1 EGEF Cn1cncc1C#Cc1ccc2cc(C3(O)CCCCC3)oc(=O)c2c1 36388913 GWLZBXPQTKXSTM-UHFFFAOYSA-N 348.402 3.078 30 3 EGEF COc1ccc(Oc2cc(/C(=N/O)N3CC=CCC3)ccn2)cc1 72103581 ZFQUYSUUTBXRDX-ZZEZOPTASA-N 325.368 3.280 30 1 EGEF CC#Cc1ccnc(-c2cc([C@@]3(C4CC4)N=C(C)C(N)=N3)ccc2O)c1 95578721 FXVJITQJGQEANW-NRFANRHFSA-N 344.418 3.220 30 1 EGEF CCNc1ncc(C#Cc2cc(Cl)ccc2OC)cc1[N+](=O)[O-] 587909278 NSZOWDGNKYPHML-UHFFFAOYSA-N 331.759 3.483 30 1 EGEF O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/C(S)=N\C[C@@H]3CCCO3)c2c1 13123275 MMQIWRZEEWTZDF-AVCRYHLVSA-N 349.372 3.330 30 1 EGEF C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=CC1=C[C@@H](O)OC1=O 2356382476 BRFJVBBXHPOREF-RXBWTVHKSA-N 332.440 3.114 30 1 EGEF C=C1[C@H](O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O)C3 6032272 MUUCXUURBKGVOZ-SBPXRTMWSA-N 334.456 3.126 30 1 EGEF O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2oc1=O 103213719 YIYLLFYNEDUCFE-CMDGGOBGSA-N 337.287 3.303 30 1 EGEF CCOC(=O)c1c(N/C=C2\C=CC=C([N+](=O)[O-])C2=O)sc(C)c1C 103979723 QEEKRNCQUQINHH-DHZHZOJOSA-N 348.380 3.137 30 3 EGEF C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)C=C(/C=C/CCC)C(=O)[C@@]21C 43070378 UJHRVGMTTNQELV-CVBNPHAYSA-N 330.424 3.117 30 1 EGEF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC#N 587388000 YRBMVFYWBUYBLW-KRWDZBQOSA-N 338.363 3.195 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)nc2)N1 587769964 HEJNOYQSGFTBGZ-FVMDXXJSSA-N 346.203 3.478 30 1 EGEF CC1=C(C)C2=CC(=O)C3=C(C(=O)c4oc(C)cc4C3=O)[C@@]2(C)CC1=O 1857548812 BCQASUIJKLATHD-FQEVSTJZSA-N 336.343 3.088 30 1 EGEF O=C(O)[C@@H]1CCCN(CCO/N=C/c2ccc(F)c3ccccc23)C1 1857553514 GYNDYLBLQSPGPS-VRCTWVPOSA-N 344.386 3.126 30 1 EGEF C=CCN1N=C(c2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C1=O 26572555 WIOFCDPOPOOQNI-CABCVRRESA-N 328.412 3.243 30 1 EGEF C=C1[C@H](OC(=O)C=C(C)C)[C@H](O)[C@@H](C(C)C)[C@H]2C(=CC)C(=O)C[C@@H]12 2356594139 JVHNNPVCABIONL-UPWFSPPHSA-N 332.440 3.219 30 1 EGEF CC=C(C)C(=O)Oc1ccc(OC(=O)[C@]2(C)O[C@@H]2C)c([C@@H]2O[C@@H]2C)c1 2356828706 IKALAAUPDYFZAW-ZFGJNDKCSA-N 346.379 3.101 30 1 EGEF C=C1[C@H]2CC[C@@]3([C@@H](O)C[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]3C2)[C@H]1O 238732062 OBIAEZKGQYQFCQ-LNNMCQGISA-N 348.483 3.070 30 1 EGEF COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OC[C@H]1CO1 95560241 YDYKRKHHMOAUKE-XJKSGUPXSA-N 342.395 3.356 30 1 EGEF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1 586951105 TXZULEGPWSXCKD-UHFFFAOYSA-N 340.408 3.252 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2ncc(C(N)=O)cc2c1 587908780 JARMOQIXNZGCTK-UHFFFAOYSA-N 336.778 3.396 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])ccc1CC(=O)O 587901834 VXQJADULKPXFQN-UHFFFAOYSA-N 345.738 3.284 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@@H]1[C@@H](O)C/C(C)=C/CC/C(C)=C\[C@@H](O)C[C@@H]2C 169333390 GQTPRLWQZDUWKJ-GTWBJBAMSA-N 334.456 3.299 30 1 EGEF Cc1cnc(-c2ccc([C@H](C(=O)NO)c3ccccc3F)cc2)nc1 1857588869 XRYDRNDHGYJSIH-KRWDZBQOSA-N 337.354 3.228 30 1 EGEF C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=CC(=O)O[C@H]1O 2356336974 OXOZFUWMJVKNFD-OPMKJXALSA-N 334.456 3.338 30 1 EGEF CC=C(C)C(=O)OC1=CC(C)=CCC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]12 2356627566 NATYHFZQSYHMDF-YHSHNQQUSA-N 346.423 3.455 30 1 EGEF O[C@H](CO/N=C(\Cl)c1cc2ccccc2o1)CN1CCCCC1 42921048 VHOKVPZBQVXZGP-STGLLQLASA-N 336.819 3.197 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 238757586 QFINJHBXXJQKPB-HYPWAUPNSA-N 346.423 3.010 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(cc1C(=O)O)OCCO2 587907064 DFTZPYMNVRRVFI-UHFFFAOYSA-N 344.750 3.218 30 1 EGEF Cc1ccc(NC2(c3nc4nc(C#N)c(C#N)nc4[nH]3)CCCC2)cc1 587237820 YLXFJGNUQXFLMU-UHFFFAOYSA-N 343.394 3.286 30 1 EGEF Cc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)no1 587876976 RITAJMUTMPYFNH-UHFFFAOYSA-N 337.206 3.195 30 1 EGEF O=C(OCCCS)c1csc([C@H]2COc3ccccc3O2)n1 13586936 HPODVVZGZWGVDV-CYBMUJFWSA-N 337.422 3.132 30 1 EGEF C=C1CC/C=C(/C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@@H]1O2 169312946 HNHDPFYELJZTEZ-GQVNJRBOSA-N 332.440 3.459 30 1 EGEF C=C1Nc2ccccc2[C@]1(O)CCN1CCC[C@]2(CC)CCO[C@H]12 2356513071 QAXDEEATFCIIMQ-ZCNNSNEGSA-N 328.456 3.442 30 1 EGEF C=C[C@](C)(O)CCC=C(C)[C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O 2356779974 HRCVDYKTTYCITA-OTWHNJEPSA-N 338.444 3.480 30 1 EGEF Cc1nc2c(s1)-c1nc(N=C3C=C([N+](=O)[O-])C=CC3)ncc1CC2 263620316 CMWWYSDXIZEJPA-UHFFFAOYSA-N 339.380 3.200 30 1 EGEF in-vitro N#Cc1ccc2c(C(=O)CCN3C(=O)c4ccccc4C3=O)coc2c1 587279641 YUBHAXREIYMBAY-UHFFFAOYSA-N 344.326 3.173 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)cn(C)c1=O 587915305 UXHLFHRLNWWEST-UHFFFAOYSA-N 341.716 3.466 30 1 EGEF N#C[C@@H]1C(=N)OC2=C(C(=O)CN(c3ccccc3)C2)[C@@H]1c1ccccc1 169728027 RCMMZTMEGDYTDD-QFBILLFUSA-N 343.386 3.261 30 1 EGEF COc1cccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)c1 200835591 NCTPUXAPCGCCDO-UHFFFAOYSA-N 334.331 3.428 30 1 EGEF O=C(/C=C(O)/C=C/c1ccc(O)cc1)C[C@@H](O)c1ccc(O)cc1 103544444 KCCQFTTZQGVDFQ-YWSNXMGASA-N 326.348 3.246 30 1 EGEF biogenic,in-vitro CCCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cn1 113412086 OODNZNYDSZXINZ-MRXNPFEDSA-N 336.435 3.337 30 1 EGEF C=CC[C@]1(C(=O)OC)CC(=O)C[C@H](c2ccc3c(c2)OCO3)[C@H]1C 1911579355 YUKYKKYPNRCAQM-YFROIQMUSA-N 330.380 3.233 30 1 EGEF Cc1cnc(SC2=C(O)C[C@H](c3ccccc3)CC2=O)nc1O 299831575 JNJKOHFJYLBHEK-LBPRGKRZSA-N 328.393 3.499 30 1 EGEF C=CCN1C(=O)S[C@H](Cc2nc3ccc(SC)cc3[nH]2)C1=O 587042892 OAJALYXIECTCRK-GFCCVEGCSA-N 333.438 3.077 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(CS(C)(=O)=O)c1 587917603 NKAQXHMJDLHNMD-UHFFFAOYSA-N 334.824 3.293 30 1 EGEF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC#N)cc1)[C@@H](C2)C3=O 587429164 OCASRUFYRLEFCT-JXFKEZNVSA-N 335.359 3.260 30 1 EGEF COc1ccc2c(c1)C/C(=C/c1ccc(N3CCN(C)CC3)cc1)C2=O 1772582868 PCCIPKGQCJCCQA-AQTBWJFISA-N 348.446 3.269 30 1 EGEF N#CN/C(=N/CCc1ccccc1)NCC12CC3CC(CC(C3)C1)C2 1772639644 VBBZFLRKSVYBLA-UHFFFAOYSA-N 336.483 3.462 30 1 EGEF N#Cc1ccc(Nc2nccc(C(=O)c3ccc(C#N)cc3)n2)cc1 1772577763 VGRMCEJLMCLTNP-UHFFFAOYSA-N 325.331 3.195 30 1 EGEF N#C[C@@H]1CCCN1C(=O)[C@H]1CCC=C1C(=O)CCCc1ccccc1 13584675 CQOGRJBEZFMVTP-HKUYNNGSSA-N 336.435 3.429 30 1 EGEF CC1=C(CCc2ccoc2)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2[C@@H](O)C1=O 15164707 VBIUKBOBRCNLBZ-CMKODMSKSA-N 330.424 3.484 30 1 EGEF biogenic,in-vitro N#Cc1ccccc1Cn1c(=O)n(C2CCCC2)c(=O)c2ccccc21 2467778 XTMGCJMNHNWVDI-UHFFFAOYSA-N 345.402 3.198 30 3 EGEF C=CC(=C)[C@@H]1[C@H](OC(C)=O)OC=C2[C@@H](CC=C(C)C)OC(=O)C[C@@H]21 2356381677 VJHRYODKPASJPU-FXECBMLZSA-N 332.396 3.436 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C(=O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12 100780443 FKDIIXZIKCNXAT-WTSSEOJRSA-N 344.407 3.218 30 1 EGEF endogenous,in-man C[C@@H]1CC(=O)[C@]2(C)[C@H](CC[C@@H]3O[C@@]32C)[C@@]1(C)CCC1=CC(=O)OC1 2356470145 PNEVRZLMZSOONE-BICNQZBYSA-N 332.440 3.439 30 1 EGEF C=C(C(C)=O)[C@H]1C[C@@H]2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@]3(O)CC[C@@]2(C)O1 473089912 MTZHGGSCKVDXDP-JSQCUCEHSA-N 336.472 3.008 30 1 EGEF C[C@H](Oc1ccc(C#N)cc1)c1nc2nc(Br)c[nH]c-2n1 587190966 LTHWDCZRGZDKII-QMMMGPOBSA-N 344.172 3.079 30 1 EGEF N#Cc1ccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)cc1 587921775 YMQOCKFPCYVJEE-UHFFFAOYSA-N 330.376 3.324 30 1 EGEF COc1ccc2c(c1)[C@@]1(C=CN2CCC#N)NCCc2c(C)ccnc21 963078750 YXQDPCUEHRILAX-OAQYLSRUSA-N 346.434 3.035 30 1 EGEF CC1=C(CCNC(=O)OC(C)(C)C)C(=O)c2c(O)cccc2C1=O 13861906 LIRWDXIZOUYHIK-UHFFFAOYSA-N 331.368 3.003 30 1 EGEF Cc1ccc(S(=O)(=O)N[C@]2(C=O)CCC[C@@H]3CCCC[C@H]32)cc1 16952884 MNWXOSNCJLKFNN-JQHSSLGASA-N 335.469 3.201 30 1 EGEF COc1cc2c(cc1O)ncc1c2c(-c2ccc(C#N)cc2)nn1C 169704773 QBSPUDPYNALJFH-UHFFFAOYSA-N 330.347 3.374 30 1 EGEF O=C1CN(C2CC2)C(=O)/C1=C(\O)c1cccc(Oc2ccccc2)c1 103294700 UJHRRYBDHLEMME-HNENSFHCSA-N 335.359 3.322 30 1 EGEF COc1ccc([C@@H](C#CCOc2ccccc2)N2CCOCC2)cc1 20807027 LADCVXNVRSSFJT-OAQYLSRUSA-N 337.419 3.151 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC(=O)C[C@H]2C)[C@H](OC(=O)C=C(C)C)[C@@H]1O 2356646704 MTCZUFGHNMDVRH-IXNFLJKVSA-N 334.456 3.443 30 1 EGEF N#Cc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 49803802 PAXROASBZHVQDR-UHFFFAOYSA-N 336.366 3.432 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)CC(C)=CCC/C(C)=C\[C@@H](O)C[C@@H]2C 299844418 GQTPRLWQZDUWKJ-LAZVRXBQSA-N 334.456 3.299 30 1 EGEF CC(C)(C)C(=O)N[C@H](C(=O)NO)c1ccc(-c2ccc(F)cc2)cc1 653794452 VEGPZOAFBQTOIE-INIZCTEOSA-N 344.386 3.202 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(N2CCNCC2)c1 587905431 ULZGKQSZSQWGRF-UHFFFAOYSA-N 326.827 3.158 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c(OC)nc1C 587903114 KJVNLXNCEPKQLB-UHFFFAOYSA-N 331.755 3.159 30 1 EGEF C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@H](C)CC)=C\C[C@H]12 13585350 VQRWOFINNQGFFG-QJQJSHSSSA-N 348.439 3.093 30 1 EGEF CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]12C 2356478736 POQLDVULDKRFNY-FNRMDFCQSA-N 330.468 3.406 30 1 EGEF C=CC=CCC1=C(C)[C@H](OC(=O)[C@@H]2C[C@@H]2C=C(C)C(=O)OC)CC1=O 2356774305 UZMCMZCHUMYZFH-YXJHDRRASA-N 344.407 3.075 30 1 EGEF N#Cc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1 72124613 TWQVHRFBPFODIM-UHFFFAOYSA-N 327.390 3.407 30 1 EGEF Cc1cccc(N2CCN(C3=CC(=O)c4ccccc4C3=O)CC2)c1 71282316 UIAVBUKQDDJLRG-UHFFFAOYSA-N 332.403 3.080 30 1 EGEF C=C(C)[C@@H]1Cc2cc3c(cc2O1)C(=O)c1cc(O)c(C)c(O)c1C3=O 15251584 FAHDUJDGJHDZMN-HNNXBMFYSA-N 336.343 3.061 30 1 EGEF biogenic C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NC3CCCC3)[C@H]2C#N)cc1 95897826 WVXGHKZQHTUAKX-QHAFLONISA-N 339.439 3.024 30 1 EGEF N#CCO[C@@H]1Cn2cc(C=O)c3ccc4c5ccccc5n(c4c32)C1 473154918 MRMWXHSKVZBHNM-CQSZACIVSA-N 329.359 3.484 30 1 EGEF Cn1nc(C(=O)NCCCCCCS)cc1-c1ccc(F)cc1 653699930 RMWSMHPVQXEKJV-UHFFFAOYSA-N 335.448 3.446 30 1 EGEF COc1cc2c3c(c1)O[C@]1(CCCC4=C1C[C@H](CC#N)O4)[C@@H](C2)C3=O 587427853 GOTNVDXCORQRTG-LCMPSIMXSA-N 337.375 3.322 30 1 EGEF C=CCOc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](O)[C@H](O)[C@]3(C)CC[C@@H]21 17310814 GVKVGOGUDSJCLX-AUYGFBLUSA-N 328.452 3.439 30 1 EGEF CN(CC#CC1=CCCCC1)/C(N)=N/C(=O)OCc1ccccc1 203471425 MRVODOBKHYOLDJ-UHFFFAOYSA-N 325.412 3.074 30 3 EGEF O=C(O)c1cccc(-n2c(C(=O)O)c(CCS)c3ccccc32)c1 34269657 HQQONYRIGPJMCN-UHFFFAOYSA-N 341.388 3.499 30 1 EGEF N#Cc1c(Nc2ccccc2)c(/C=N\N=C\c2ccccc2)c[nH]c1=O 73010244 IQINVWKZELEQSD-QPIVNIIISA-N 341.374 3.443 30 1 EGEF C=C(C)[C@H](O)CC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)[C@H](O)CO 238786857 IJARVPWBFHJSRM-USYVTKNRSA-N 344.536 3.421 30 1 EGEF N#CCc1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1 143188658 AIMAQYTWZKKMLR-UHFFFAOYSA-N 334.379 3.249 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cn(C(C)(C)C(=O)O)nc1C 587909714 ZREWADLBRJICDC-UHFFFAOYSA-N 332.787 3.073 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1N(C)S(C)(=O)=O 587918243 IJJZJZMFTJJPPS-UHFFFAOYSA-N 349.839 3.144 30 1 EGEF C=C1C[C@@H](C/C(C)=C/COc2ccc3ccc(=O)oc3c2)OC1=O 200768141 DSQRNJDVDUJXJO-NYUWMOHMSA-N 326.348 3.380 30 1 EGEF C=C[C@](C)(O)CC=C[C@]1(C)CC[C@@H]([C@@](C)(O)CC(=O)C=C(C)C)O1 2356578824 HYSXHSFJFJWWOB-HAGHYFMRSA-N 336.472 3.484 30 1 EGEF C=CCN1C(=O)/C(=C/c2c[nH]c3c(C(=O)O)cccc23)SC1=S 28710878 MHABZMBSHYEYIJ-GHXNOFRVSA-N 344.417 3.253 30 1 EGEF COc1c(O)c(C(=O)/C=C\c2ccccc2)c(OC)c(OC)c1OC 36378621 LETBAZLAGJPEIM-KHPPLWFESA-N 344.363 3.323 30 1 EGEF CC1=C(O)C(=O)C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)([C@H](O)CO)CC[C@@]12C 238762371 OPIVSPPXGVRLDX-WVGHKPTNSA-N 336.472 3.373 30 1 EGEF CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(-c2ccc(F)cc2)cc1 653794453 VEGPZOAFBQTOIE-MRXNPFEDSA-N 344.386 3.202 30 1 EGEF N#Cc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587584794 APHDBEYKLIPHDG-PXNSSMCTSA-N 344.326 3.362 30 1 EGEF N#CC[C@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555770 MAQFTTNAMJILRX-DYVFJYSZSA-N 331.274 3.271 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@@H](O)C/C(C)=C/CC/C(C)=C/[C@H](O)C[C@@H]2C 5181416 GQTPRLWQZDUWKJ-MOCZBSJJSA-N 334.456 3.299 30 1 EGEF C#C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cccc2ccccc12 2356305331 VJRSPJGLKGDSJB-NJAFHUGGSA-N 349.503 3.470 30 1 EGEF C#C[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1cccc(SC)c1 8300177 WXIWKAVKSQBFDG-OFQRWUPVSA-N 330.453 3.301 30 1 EGEF biogenic O=C1c2ccccc2C(=O)N1/N=C\c1ccc(Br)cc1 31840332 DQFSZGUXLGKJAO-MFOYZWKCSA-N 329.153 3.079 30 1 EGEF Cc1ccc(/C=C/C(=O)c2ccc(O)c(CN3CCOCC3)c2)o1 71329032 QBKKLUPFMZYECN-FNORWQNLSA-N 327.380 3.022 30 1 EGEF C[C@@H]1Cc2ccccc2C[N@+]1(C)CC(=O)c1cccc([N+](=O)[O-])c1 253589648 KJPXXDPGGYIUGW-SPLOXXLWSA-N 325.388 3.369 30 1 EGEF N#Cc1nc(Cl)cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587159752 WWXDAHSETWMDKS-UHFFFAOYSA-N 347.693 3.109 30 1 EGEF CCOC(=O)[C@@H](CC)n1cc(C#Cc2cc(Cl)ccc2OC)cn1 587908834 DJXQVMQWPYIMLZ-MRXNPFEDSA-N 346.814 3.459 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1O[C@H](C)C(N)=O 587902519 GTXYORUPEMGYIA-GFCCVEGCSA-N 329.783 3.001 30 1 EGEF CC[C@@H]1OC=CC(=O)[C@]12NC1(CC1)Cc1ccc(Br)cc12 961614366 KVHOLUIUXKWURV-RDJZCZTQSA-N 348.240 3.214 30 1 EGEF N#Cc1cccc(-c2cccc(-c3nc(SCC(=O)O)n[nH]3)c2)c1 205444333 HLLLWQUEWXWYQO-UHFFFAOYSA-N 336.376 3.187 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H]3C=C(CC[C@@H]4O[C@]4(C)CC[C@H]12)C(=O)O3 2356354155 GKZBZZYALRNEFE-HAJKQMQPSA-N 344.407 3.004 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C[C@]2(C)O[C@]23C[C@@H]2[C@H](C[C@H](C)[C@H]13)OC(=O)[C@@H]2C 2356586738 MDEMEQWVIWOHHX-XMCOBJLBSA-N 348.439 3.020 30 1 EGEF C=C1CCC=C(COC(=O)[C@H](C)CC)C(=O)C[C@@H]2[C@H]1C[C@@]2(C)CO 2356595182 VZGQXACVDHDZIF-UDUZWTERSA-N 334.456 3.446 30 1 EGEF CC[C@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2ccc(C#N)cc2)n1 82159602 AJQGCMZZBUCOPT-ZDUSSCGKSA-N 337.427 3.318 30 1 EGEF NC(=O)c1cccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 586902200 VUZRNPGXEOKSBL-UHFFFAOYSA-N 327.343 3.322 30 1 EGEF C=C[C@H]1C[N+]2(C)CC[C@@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 13002972 SJTSZVLGFLZBFK-WKOHJBIESA-N 339.459 3.318 30 1 EGEF CCCCCC(=O)CC(=O)C=Cc1cc(CCO)c(O)c(OC)c1 2356376094 OGGFELYBUONNKL-UHFFFAOYSA-N 334.412 3.057 30 1 EGEF CCCC[C@@](O)(C#C[C@@]1(OC)CN2CCC1CC2)c1ccccc1 28563149 DVSLSPWSCJLOGG-NHCUHLMSSA-N 327.468 3.179 30 1 EGEF CC[C@H](C)C(=O)O[C@@H]1CC(C)=C2C[C@@H]3O[C@]3(C)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356501736 LQUIPYXNZMFMLO-RDKHHXCLSA-N 348.439 3.020 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC 2356559640 GKRMJALKMNRHGF-JBSRBPRQSA-N 330.424 3.254 30 1 EGEF C=C1[C@H]2CC[C@@]3(O)[C@](CC[C@H]4[C@@](C)(C(=O)OC)CCC[C@]43C)(C2)[C@H]1O 2356686631 NEQNPJRJYTVQSB-RWRVNDKOSA-N 348.483 3.214 30 1 EGEF O/N=C(\NCc1c(F)cccc1F)c1cccnc1OC1CCC1 72186558 ZLCJUJKKTJQAOW-UHFFFAOYSA-N 333.338 3.217 30 1 EGEF CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)N=C(N)N 139041111 KZMZOFCREKHNQL-MCXRAWCPSA-N 341.540 3.239 30 1 EGEF CC1=C2CC/C(C)=C/CC[C@@](C)(O)[C@H]3CC[C@](C)(O3)[C@H](C2=O)[C@H]1O 238784428 QRTUGLKKOAKYGZ-BIZAAKJFSA-N 334.456 3.072 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(C)\C=C/[C@H]3O[C@]3(C)C[C@@H](OC(=O)CCCC)[C@@H]12 299835362 DQSXKWLVHQVACC-QIXRQJBXSA-N 346.423 3.250 30 1 EGEF COC(=O)C[C@H](N)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587906209 UVBHMBLJRFRUBC-KRWDZBQOSA-N 343.810 3.311 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)cn2cc(C(=O)O)nc12 587917328 GCMMNPLXARCRHG-UHFFFAOYSA-N 344.729 3.233 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CSC[C@@H]2C#N)N1 587857078 KBCCIBIHGNXPGA-IPURGOFSSA-N 341.249 3.204 30 1 EGEF COc1cc([S@@](=O)c2cccc(N)c2C#N)cc(C(F)(F)F)c1 5853302 NLDNQXYXLUCGOU-QHCPKHFHSA-N 340.326 3.335 30 1 EGEF CC(=O)/C=C/c1cc(O)c(O)c(Br)c1Br 13450166 NHUWNFDDCLZKPA-NSCUHMNNSA-N 335.979 3.225 30 1 EGEF COC(=O)N1CC[C@@](O)(C#Cc2cccc(C)c2)[C@H]2CCCC[C@@H]21 103273434 KHTQLWFDNBGZGX-BJLQDIEVSA-N 327.424 3.109 30 1 EGEF COC(=O)c1cc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O 28520468 SFMONESJDGWRSO-UHFFFAOYSA-N 327.361 3.218 30 1 EGEF N#Cc1ccc(C[C@@H](NC(=O)c2ccc3ccccc3c2)C(=O)O)cc1 49055797 XDCFQQQOUUDJQN-LJQANCHMSA-N 344.370 3.137 30 1 EGEF C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2cncnc2[nH]1 586910243 NSXXAFIGOJEGMT-KRWDZBQOSA-N 328.416 3.002 30 1 EGEF N#Cc1cc(Br)c2[nH]c(-c3cccc(CO)c3)nc2c1 586895376 YJARNOPFINDISB-UHFFFAOYSA-N 328.169 3.356 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(S(C)(=O)=O)c1F 587916469 MOHLMQXRNGJWSX-UHFFFAOYSA-N 338.787 3.291 30 1 EGEF N#Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587588747 RYMVDVOIDRFYNR-FXAWDEMLSA-N 344.326 3.362 30 1 EGEF CC(C)(O)/C=C/C[C@]1(C)O[C@@H]1COc1ccc2ccc(=O)oc2c1 13374368 KPHAWSGLVQWJHP-SMRGMWPOSA-N 330.380 3.047 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(\C)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@@H]12 169354212 SLFNZRXROGKMKG-HCCJXPJESA-N 346.423 3.010 30 1 EGEF C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(\[C@@](C)(O)CO)CC1=O 169369414 QYPUAWRQTMYIDE-COOXVESTSA-N 334.456 3.239 30 1 EGEF COc1ccc(SCNC2=CC(=O)c3ccccc3C2=O)cc1 103131091 IBGOUKPGFHALFL-UHFFFAOYSA-N 325.389 3.298 30 1 EGEF CC1=CC(=O)[C@H]2[C@H]3[C@H]1[C@@]2(C)[C@H](OC(=O)CC(C)C)C[C@@H](O)C3(C)C 2356597688 RDXOGOHCELXCJV-KMTMYUDJSA-N 334.456 3.133 30 1 EGEF C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1F)[C@H](O)[C@@H]1OC(=O)[C@@]2(C)CCC[C@]3(C)[C@@H]12 2356709455 FIJZLOOHEQMRJW-FRXNJVHESA-N 334.431 3.410 30 1 EGEF C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](C=O)[C@@H]2Cc1c3n(C)c2c(OC)cccc12 36423003 RBNBEKDCSALFTN-OONYBVTKSA-N 336.435 3.250 30 1 EGEF COC(=O)c1n[nH]c2c(C#Cc3cc(Cl)ccc3OC)cccc12 587911473 ISAJVARZYOSTOO-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF CN1CC[C@]2(CC1=O)c1ccccc1CCN2[C@@H](C#N)c1ccccc1 963186878 GZPIUVHJEKQMQI-UNMCSNQZSA-N 345.446 3.257 30 1 EGEF CCCCCCCOc1ccc(-n2cc(C(=O)O)nn2)cc1C#N 1772610200 FMFCJXUIYWQUTB-UHFFFAOYSA-N 328.372 3.186 30 1 EGEF CC(C)=CC(=O)O[C@@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)C3=C(C)CC[C@H]21 14498741 XQBLMOCHFJXAAJ-LCPZFUNLSA-N 344.407 3.052 30 1 EGEF C=CCO/N=C(\OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1625764 GHYPBEZUYPZTPM-VLGSPTGOSA-N 326.308 3.316 30 1 EGEF C=C1C(=O)O[C@@H]2C3=C(C)CCC(=O)[C@]3(C)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356423209 QSSPNILUWTYPQM-JJUQKUTHSA-N 344.407 3.052 30 1 EGEF C=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@@H]1C(=O)OC 2356751485 JPADKMRYWFMXNT-HMPASCQOSA-N 346.423 3.380 30 1 EGEF C#C[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)c4cc(OC)ccc4[C@@H]3CC[C@@]21C 2356782733 KEBORPGMLOMTJD-WARACUEISA-N 326.436 3.407 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(=N)[nH]cc1Br 587909561 UPSNHGUJSJQERX-UHFFFAOYSA-N 337.604 3.318 30 1 EGEF CC(C)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NCC#N 1857752968 VURVFQCQBXKLJQ-KBPBESRZSA-N 345.340 3.073 30 1 EGEF CCOC(=O)c1ccc(NC2=N/C(=C3\C=CC=CC3=O)NC(C)=C2)cc1 103917928 HYSQWZZNUPAREK-KNTRCKAVSA-N 349.390 3.087 30 3 EGEF N#C/C(=N\Nc1nc2ccccc2[nH]1)C(=O)c1c[nH]c2ccccc12 28714032 CUFSTXCMDTWCKN-XQNSMLJCSA-N 328.335 3.219 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(COC(=O)[C@H](C)CC)[C@@H](O)C[C@H]12 2356585924 GFQXSAJTPGBBCT-NKGKWGDASA-N 348.439 3.091 30 1 EGEF N#Cc1ccnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2 72116595 VQEHAMZDBNCIFO-IAGOWNOFSA-N 347.249 3.383 30 1 EGEF C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 33803682 CZEMYYICWZPENF-QEOLQJOTSA-N 348.439 3.076 30 1 EGEF in-man C=C1C[C@@H](OC(=O)c2ccoc2)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)[C@@H]2C[C@H]12 523041509 IJLKKSIWRVXSAM-ZLHOGHTGSA-N 340.375 3.445 30 1 EGEF biogenic CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@@]23C 253978900 XQOSNJUURCKQGN-HXCNISCMSA-N 344.451 3.197 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(N)cc(C(=O)NC(C)C)c1 587904438 LYHPXXNGQQCPLF-UHFFFAOYSA-N 342.826 3.469 30 1 EGEF COc1ccc(/C=C(\C)C(=O)c2cc(OC)c3c(c2)OCO3)cc1O 584904725 IYAYDNORGNGYOF-IZZDOVSWSA-N 342.347 3.424 30 1 EGEF in-vitro C=C(C)[C@H](O)Cc1c(O)ccc2c1O[C@H]1c3ccc(O)cc3OC[C@@H]21 15147356 LRCYZCCKRIVTHN-VPWXQRGCSA-N 340.375 3.187 30 1 EGEF endogenous,in-man Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccco1)[C@@H](C#N)C(=N)O2 169691069 KTPUTSMBHXPZMZ-PBHICJAKSA-N 332.363 3.474 30 1 EGEF N#Cc1ccccc1NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1 1857768570 OUVWOVMAESVSSI-UHFFFAOYSA-N 345.406 3.394 30 1 EGEF C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)C(=CCO)CC[C@H]12 2356390848 FIMYJWIQTVIDQB-ZJKGHYPUSA-N 328.452 3.184 30 1 EGEF C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@]2(C)C[C@@H]2C(=O)C=C(C)C(=O)C1 2356678185 WEJWONOQPGYTMK-GHIPVUKMSA-N 328.408 3.325 30 1 EGEF CCN(C1=CC(=O)c2cnc3c(c2C1=O)C(=O)CCC3)c1ccccc1 72106350 PUGINTUFIIDFHD-UHFFFAOYSA-N 346.386 3.390 30 1 EGEF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(O)n1 587882150 MTLUFGJTWMBDFI-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF C#CCOc1ccc(-c2nc3cnc(Br)cc3[nH]2)cc1 587563412 HCBSSWZGAJYPDA-UHFFFAOYSA-N 328.169 3.399 30 1 EGEF O=S(=O)(N/N=C\c1c(F)cccc1Cl)c1ccc(Cl)cc1 13111596 FEZZNCVKHNHFSU-IUXPMGMMSA-N 347.198 3.445 30 3 EGEF CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnn(-c3ccccc3)c2)cc1 169706194 GDYMDRBOZYLIEJ-KRWDZBQOSA-N 343.430 3.339 30 1 EGEF O=C1Nc2ccc([N+](=O)[O-])cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 6567560 FRVRQTHENXFZCJ-ZDUSSCGKSA-N 326.230 3.328 30 1 EGEF C=C1[C@@H](CC=C2CCOC2=O)[C@@]2(C)CCC(=O)C(C)(C)[C@H]2C[C@H]1O 2356692469 XDMURUTWTFRCDW-AXHMDWHKSA-N 332.440 3.198 30 1 EGEF C=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@@]2(C)[C@@H]1C(=O)OC 2356751484 JPADKMRYWFMXNT-FWYGIPPASA-N 346.423 3.380 30 1 EGEF C=C[C@]1(C)C[C@@H]2OC(=O)C[C@]3(C)[C@@H]2[C@](C)(C[C@H]2OC(=O)C(C)(C)[C@H]23)O1 2356794234 LBJVUIZUIJGCMR-WQXWNKKISA-N 348.439 3.020 30 1 EGEF COc1ccc2c(c1)c(/C=C1\Oc3cc(O)cc(O)c3C1=O)cn2C 49070461 HQFOXSYINFPGCB-ZWSORDCHSA-N 337.331 3.214 30 1 EGEF COCCNc1ccc(-c2nc3cccc(C#N)c3[nH]2)cc1[N+](=O)[O-] 587264810 KFVXTZWORXCEFY-UHFFFAOYSA-N 337.339 3.068 30 1 EGEF COC(=O)c1cc(N)cc(C#Cc2cc(Cl)ccc2OC)c1F 587915983 YSFBRPRVNIENMF-UHFFFAOYSA-N 333.746 3.256 30 1 EGEF CS(=O)(=O)c1ccc(C2=C(C#Cc3ccccc3)C(=O)CC2)cc1 12352366 SYCDCMGVFQIMAR-UHFFFAOYSA-N 336.412 3.258 30 1 EGEF C#Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1 587889853 ZQIGJYGYRNCIEQ-UHFFFAOYSA-N 343.213 3.080 30 1 EGEF COC(=O)c1cc2n[nH]cc2cc1C#Cc1cc(Cl)ccc1OC 587907862 WBIDDTHCUOGABU-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF C[C@@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CCC5=CC(=O)CC[C@@]54C)[C@@H]2C[C@@H](O)[C@H]13 153234797 NEANQMHNHHJJNL-UUYNCMNMSA-N 344.451 3.031 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@@H]2C(=CC[C@@H]3OC3(C)C)COC(=O)[C@H]12 2356455908 LMFHJCCRCFDDMJ-ZJPYXAASSA-N 332.440 3.317 30 1 EGEF C=C(C)[C@H](O)Cc1c(O)ccc2c1O[C@@H]1c3ccc(O)cc3OC[C@@H]21 59729378 LRCYZCCKRIVTHN-XAUMDUMWSA-N 340.375 3.187 30 1 EGEF endogenous,in-man O=C(O)/C(O)=C/C(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 101680791 LSLRLUDNDMWLQP-DHDCSXOGSA-N 345.738 3.302 30 1 EGEF N#CCc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 28958806 KGZGAYPHWQMSJX-UHFFFAOYSA-N 340.390 3.469 30 1 EGEF C[C@@]1(CF)C=C(/C(S)=N\CCC#N)c2cc([N+](=O)[O-])ccc2O1 26402329 DRQYNLODWXEJBU-HNNXBMFYSA-N 335.360 3.341 30 1 EGEF C=C[C@@H]1C(C)(C)C(=O)[C@H]2C[C@@]1(C)[C@@H]1[C@@H]2O[C@H]2C(=C(C)C)C(=O)O[C@H]21 2356553938 NKPVPBRRTXGXPI-OBIGNWPRSA-N 330.424 3.069 30 1 EGEF CC(/N=C(/Nc1ccccc1)N1CCOCC1)=N\Cc1ccccc1 29346749 NQGSGQFNFATNRR-UHFFFAOYSA-N 336.439 3.405 30 1 EGEF Cc1cc(C)c(C#N)c(SCC(=O)NCc2cc(F)ccc2F)n1 96934901 XERMFNUODKSUCI-UHFFFAOYSA-N 347.390 3.257 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c(NC(C)=O)s1 587919039 PTYDOAFIHHCBQH-UHFFFAOYSA-N 349.795 3.467 30 1 EGEF N#Cc1ccc(Nc2ccnc([C@H](O)c3ccc(C#N)cc3)n2)cc1 1772635318 GOGUSIQMSMWUNN-GOSISDBHSA-N 327.347 3.045 30 1 EGEF C=CCn1c(S)c2c(=C)c3c(OC)cc(OC)cc3n2c1=S 169717603 QCDPSEJRHAZERF-UHFFFAOYSA-N 332.450 3.245 30 1 EGEF COc1cc2c(c(OC)c1OC)C(=O)/C(=C/c1ccccc1O)CO2 1857637736 PTPORVJJMCEUQT-XYOKQWHBSA-N 342.347 3.077 30 1 EGEF C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)/C(C)=C/C)C=C(C)CC[C@@H]1O 253798414 UPYSSTOWRYYTEG-KHNYOCJCSA-N 346.423 3.010 30 1 EGEF C[C@H]1[C@@H]2CC=C3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32[C@H](O)N1C 2356382310 VZECFJJIDYGXAI-OHIZPDRYSA-N 339.479 3.463 30 1 EGEF CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O 101354845 LRKPGEPWOYCDIU-WNJXIGSNSA-N 346.467 3.293 30 1 EGEF C=C1C(=O)O[C@H]2CC(C)=CCCC(=C)[C@H]3CC[C@@](C)(O3)[C@@H](O)C[C@@H]12 2356624578 HNHDPFYELJZTEZ-MUPNANLLSA-N 332.440 3.459 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](CF)(C(=O)O1)[C@H]2[C@H]3C(=O)O 2356772940 MOQRYJUIYPNVBO-XWUHRQEOSA-N 334.387 3.115 30 1 EGEF C[C@@]12CCCN1C(=S)N(c1ccc(C#N)c(C(F)(F)F)c1)C2=O 40752885 WGUFPLVNMDGDPZ-AWEZNQCLSA-N 339.342 3.063 30 1 EGEF C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)/C(C)=C\C)[C@@H]1O 238759238 WLNBDZUPCWZZJJ-YRROIGCMSA-N 334.456 3.443 30 1 EGEF COc1ccccc1/C=C/C(=O)CC(=O)/C=C/c1ccc(O)c(O)c1 299828755 HFEZEFRZXHTYHH-OAMUUVBCSA-N 338.359 3.361 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccn2cc(C(=O)O)nc2c1 587912991 SEJQIHOMJCMBBC-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF Cn1cc(CCNCc2ccc(/C=C/C(=O)NO)cc2)c2ccccc21 13528123 AEDUBEGTPWKDCX-ZHACJKMWSA-N 349.434 3.029 30 1 EGEF CCC1=NC(N/N=C/c2ccccc2O)=N/C1=C\c1ccccc1O 102982150 WUELVZCJQURQGP-ULQIOQDBSA-N 334.379 3.283 30 1 EGEF CO[C@@H]1C(C)=CCCC[C@@H]2O[C@@]23CC(=O)O[C@H]3c2c(O)ccc(O)c21 2356283644 WDYPOBGJRVTRDW-PZGXJPJSSA-N 346.379 3.041 30 1 EGEF CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(O)c1 103894780 GDEYDEHCBDATSA-FDCFBWIESA-N 343.379 3.382 30 1 EGEF Cc1sc2c(c1C)C(O)=C(/C=N/c1ccncc1)S(=O)(=O)N2C 101754191 AVSWNQJTMPAGHJ-CAOOACKPSA-N 349.437 3.169 30 1 EGEF COc1cc2nncc(-c3cnc(NC(C)C)c(C#N)c3)c2cc1OC 59047681 WCUTYWDGVXSBLU-UHFFFAOYSA-N 349.394 3.401 30 1 EGEF C=CC1=C2C(=O)CC[C@@H]3CN4C[C@H](C)[C@H]5C[C@H]4[C@@]3(C)[C@]2(CC1)C5=O 2356448286 XTYMVYMUTIHPNR-XURZIXMUSA-N 325.452 3.158 30 1 EGEF CC(C)/C=C/C(=O)[C@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)O)CO1 27427933 FZBYJYYCJTZORP-RPWBYNARSA-N 326.433 3.223 30 1 EGEF COc1ccc2c(c1)c1c(C)n[nH]c(=O)c1n2Cc1cccc(C#N)c1 84742267 KJDFVVUZTRUIIC-UHFFFAOYSA-N 344.374 3.115 30 1 EGEF Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@@H](C)C=C[C@@H]3O[C@@]31C2=O 238773400 AKDBBKATQIZSGZ-VLKOAHQCSA-N 330.380 3.374 30 1 EGEF N#C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1 95896074 FSTZDOIQITWSOS-SLFFLAALSA-N 336.435 3.233 30 1 EGEF C#CCCOC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587793512 NJXOHUWBWFRFHA-GWCFXTLKSA-N 326.209 3.203 30 1 EGEF C/C(=N/c1ccnc2cc(Cl)ccc12)NCCCN1CCOCC1 299862929 OBFZRBYWAFPRSY-UHFFFAOYSA-N 346.862 3.250 30 1 EGEF CC(C)C[C@H](C#N)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 207736995 DWGWWHOFDXQQAL-OAHLLOKOSA-N 327.428 3.416 30 1 EGEF COc1cc(C#Cc2cc(Cl)ccc2OC)c(O)c([N+](=O)[O-])c1 587900334 OJQFDHRJFXFLBL-UHFFFAOYSA-N 333.727 3.371 30 1 EGEF COc1cccc2c3c(cnc12)CCN[C@@]3(C#N)c1ccc(F)cc1 963033910 KQIMEFTZZQRSNJ-FQEVSTJZSA-N 333.366 3.295 30 1 EGEF C=C1CC[C@@H](C(C)=O)[C@@H](OC(=O)/C=C/C(C)(C)O)/C=C(\C)CCC1=O 13335712 WNLDPFSWPBREOU-SURQFZOFSA-N 348.439 3.076 30 1 EGEF in-vitro Cc1cccc(N2C(=S)[C@H](C#N)C(=O)N[C@@H]2c2cccs2)c1 169686818 IJKVMFPSLGVPHG-OCCSQVGLSA-N 327.434 3.159 30 1 EGEF CC(C)C1=CC(=O)[C@]2(CC1)OC(=O)C[C@@H]1C(C)(C)[C@H](O)CC[C@@]12C 2356336402 KFEZPUHNOOFISQ-IPZZXCBHSA-N 334.456 3.421 30 1 EGEF C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(C)O 2356344070 YLRFCQOZQXIBAB-BVMLLJBZSA-N 336.447 3.332 30 1 EGEF Cc1c[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4ccccc4[nH]1)C3=CC2=O 27655769 XSIHIAJHMICCIT-ASSNKEHSSA-N 343.386 3.298 30 1 EGEF CC(C)(O)[C@H]1Cc2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3)c2O1 42989151 SUKRWJWSDOFKRU-QKYXPGDISA-N 340.375 3.068 30 1 EGEF CCCCCCCCCCn1c(=O)[nH]c(=O)c2[nH]c(Cl)nc21 149336052 FXJKFMLZQAMACQ-UHFFFAOYSA-N 326.828 3.207 30 1 EGEF CC1=CC(=O)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)[C@H](O)C[C@@H](OC(=O)CC(C)C)C3(C)C 238772844 UGKBIZLCLHQSKU-QQIJDRRGSA-N 334.456 3.133 30 1 EGEF C#Cc1ccc(OCc2nnc(CC3CC3)n2-c2cccnc2)cc1C 621485728 HZMNNPOODBICDL-UHFFFAOYSA-N 344.418 3.484 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(O)ncnc1C(F)(F)F 587914346 BKJCDLCSDIQHEJ-UHFFFAOYSA-N 328.677 3.263 30 1 EGEF CCn1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C(=O)OC 587902512 GKCOCUJVNPKPSG-UHFFFAOYSA-N 332.787 3.060 30 1 EGEF COc1ccc(C(=O)N2C[C@]3(C)[C@H]4CC[C@@]3(C)[C@@]2(C#N)C4)cc1OC 169296859 LPPVWMDNFLZLBE-PSAKCFHXSA-N 340.423 3.248 30 1 EGEF C=C1C(=O)OC[C@H]1[C@@H](O)c1cn(CC2CC2)c2ccc(Cl)cc12 1857549123 ZMZSASRGAKDEIN-WBVHZDCISA-N 331.799 3.467 30 1 EGEF COC(=O)c1ccc2nc(C#Cc3cc(Cl)ccc3OC)cn2c1 587913559 WPVYWBSVULBNLF-UHFFFAOYSA-N 340.766 3.183 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([C@@H](CN)N(C)C)cc1 587906229 VPFOSNVQGJZPGI-GOSISDBHSA-N 328.843 3.310 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(=O)CC(=O)O2 587908713 HHSFAGXHONHLRP-UHFFFAOYSA-N 326.735 3.240 30 1 EGEF CC1=C[C@]2(C=CC1=O)NC1(CC1)Cc1ccc(Br)cc12 961614432 LLRARQIPCLFISB-KRWDZBQOSA-N 330.225 3.408 30 1 EGEF COc1ccc(/C=C/C(=O)c2ccc(OCC3=NCCO3)cc2)cc1 1772657442 SJZLZFWQHDMPEM-NYYWCZLTSA-N 337.375 3.399 30 1 EGEF NC(N)=Nc1nccc2c(Cl)cc(-c3cccc(C(=O)O)c3)cc12 28643878 AOWXBWOMTITNDH-UHFFFAOYSA-N 340.770 3.158 30 1 EGEF CC(=CCC=C(C)[C@@H]1CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)CC[C@@H]3O)CO 2356487770 LTAKJWJITPBCJA-HRDWYUFVSA-N 346.467 3.445 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)CC(C)=CCCC(C)=CCC[C@]1(C)O[C@@H]21 2356588581 ARVXFCIVVWNIRM-GJNTUIEKSA-N 332.440 3.459 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(OC)C=C[C@@](C)(C[C@@H](OCC(C)C)[C@H]12)O3 2356652744 OCMNFBXJZYUCJE-RISVGRPXSA-N 348.439 3.163 30 1 EGEF COc1ccc(/C(=N/O)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 49070065 NWRXPZVGAOXLHK-MOHJPFBDSA-N 345.362 3.327 30 1 EGEF Cc1ccc(C(=O)NC[C@H](C)/N=C/c2cc(Cl)ccc2O)c(O)c1 49112927 LKYWQUMVZFQYPD-QDBSGRMGSA-N 346.814 3.297 30 1 EGEF N#Cc1ccc(C(=O)Nc2cc[nH]c(=O)c2)c(Oc2ccc(F)cc2)c1 143169548 AWWVNDFZXGVFPE-UHFFFAOYSA-N 349.321 3.430 30 1 EGEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O)s1 587897823 WXMLVZYBCZYGBP-UHFFFAOYSA-N 340.231 3.471 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C)nn(C[C@H](C)C(=O)O)c1C 587903158 XRNOKLGXFRWGNO-NSHDSACASA-N 346.814 3.282 30 1 EGEF N#C[C@H](F)[C@@]1(c2ccc(Cl)cc2)NCCc2c(C(=O)O)cccc21 963135008 VIOQFAHPUXRQIO-WMZOPIPTSA-N 344.773 3.289 30 1 EGEF COc1ccc2c(c1)c1c(C)n[nH]c(=O)c1n2Cc1ccc(C#N)cc1 84740930 XDUQZNNLJAJYJR-UHFFFAOYSA-N 344.374 3.115 30 1 EGEF CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccccc1 103171672 CTFUQWVCYRJCMX-SXZORUHJSA-N 326.396 3.061 30 1 EGEF N#Cc1c([C@@H](N)Cc2ccccc2)cc(-c2ccccc2O)nc1N 28347152 FXHAOHCSGZLTCZ-KRWDZBQOSA-N 330.391 3.151 30 1 EGEF CC(=C[C@@H]1CC(C)=CC(=O)O1)CC[C@@H](O)[C@H](C)C1=CC(=O)C(C)(C)O1 2356520393 LERGMWGUWISZLW-ARFHVFGLSA-N 348.439 3.234 30 1 EGEF C=C1CC[C@]2(O)C(=C)CO[C@@H]2C=C(C)CC[C@H](O)[C@@]2(C)CC[C@H]1O2 2356695535 LJAXIDCBOWLLHK-IVDHNXQLSA-N 334.456 3.048 30 1 EGEF C/C(=C\Cc1c(O)ccc(C(=O)/C=C\c2ccc(O)cc2)c1O)CO 215355235 GDGQOBRQTUPPDO-WCPHVHACSA-N 340.375 3.181 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2[nH]cc(C(=O)O)c2cn1 587913115 HSMZNXHXBGWZJI-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF N#Cc1c(-c2ccc(N3CCOCC3)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587649783 ZSMPQJJTSOUBGD-UHFFFAOYSA-N 348.362 3.451 30 1 EGEF N#Cc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1C#N 587165192 MHANJEFRGCFCKN-UHFFFAOYSA-N 342.337 3.357 30 1 EGEF CN(C)/C=C1\C(=O)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511602 LZKAPVFSROHLPK-RYEVTAHJSA-N 339.435 3.468 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(N(C)C)ncc(C(=O)O)c1C 587903117 KOMFADMTASYLPN-UHFFFAOYSA-N 344.798 3.216 30 1 EGEF CCCC#Cc1ccc(-c2nc(C)c(/C(C)=N/NC(=N)N)s2)cc1 1857754274 QJBUPYFZKKBOOJ-LPYMAVHISA-N 339.468 3.477 30 1 EGEF CCCOc1cc(C)cc(S(=O)(=O)c2cccc(N)c2C#N)c1 5838966 VDACQIOESMGRCH-UHFFFAOYSA-N 330.409 3.071 30 1 EGEF O=C1Nc2ccc(Cl)cc2[C@](C#CC2(O)CC2)(C(F)(F)F)O1 6567433 BHOCYCABHGMRFS-CYBMUJFWSA-N 331.677 3.188 30 1 EGEF CC/C=C\C[C@@H]1C(=O)C(I)=C[C@H]1CC(=O)OC 101674307 FZYXDMFUIFXKNT-NDVXOHMPSA-N 348.180 3.040 30 1 EGEF N#CC(C#N)c1cnn(Cc2cccc3ccccc23)c(=O)c1Cl 73274753 BACODSFEYKJLEP-UHFFFAOYSA-N 334.766 3.229 30 1 EGEF CO[C@H]1C=C[C@@]23O[C@@H]2C[C@H]2CCCc4cc5c(cc4[C@@]23C1)OCO5 85491198 FHKVPQGVMJYBPM-OLINKRDDSA-N 326.392 3.122 30 1 EGEF biogenic,in-vitro Cc1ncccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880465 MWWWQBMENIGUBP-UHFFFAOYSA-N 333.218 3.407 30 1 EGEF Cc1ncnc(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880494 OFEZBKPPQWWMPE-UHFFFAOYSA-N 348.233 3.111 30 1 EGEF COC(=O)c1ccc2nc(-c3ccc(C#N)c(F)c3)[nH]c2c1OC 587143399 QKODRINWDDWOAK-UHFFFAOYSA-N 325.299 3.036 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([C@@H](O)C(=O)O)c(F)c1 587916424 KVTOMFQKRIXFFP-MRXNPFEDSA-N 334.730 3.006 30 1 EGEF CCn1cc(Br)c(Cc2nc3cccc(C#N)c3[nH]2)n1 587001397 XNQPHRRQBHYUPI-UHFFFAOYSA-N 330.189 3.004 30 1 EGEF O=C(NO)[C@H](c1ccc(-c2ncc(F)cn2)cc1)c1ccccc1F 1857554820 CQFFHVHAWUZJLV-MRXNPFEDSA-N 341.317 3.059 30 1 EGEF COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)c1 1857606998 QUVLNKRTRMYYRD-SFHVURJKSA-N 337.375 3.493 30 1 EGEF C=C[C@@H]1C(C)(C)C(=O)[C@H]2C[C@@]1(C)[C@@H]1[C@@H]3OC(=O)C(=CC)[C@@H]3O[C@]21C 2356434584 WYOPVCJAKMHFLL-CSVFJKFTSA-N 330.424 3.069 30 1 EGEF COc1cc2c(cc1OC)[S@@](C)(=O)=N/C(=N/Cc1ccccc1)N2 27767650 DTDLDTXWQAMXDA-XMMPIXPASA-N 345.424 3.142 30 1 EGEF C[C@]1(CO)CCC[C@@]2(C)c3cc4c(cc3C(=O)C[C@@H]12)C(=O)C=CC4=O 2356441371 PCQUPBXXGWSGMS-HBMCJLEFSA-N 338.403 3.265 30 1 EGEF CCCCCCCc1ccc(C(=O)O[C@H]2CC(=O)O[C@@H]2CO)cc1 34799947 NCGVPHNVLGONPY-DLBZAZTESA-N 334.412 3.033 30 1 EGEF COc1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2cc1F 587262068 MIUUHWNJPKXZEU-UHFFFAOYSA-N 325.299 3.327 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(C#N)c(=O)c2c1 587908593 CFPUMGGSGUCQSP-UHFFFAOYSA-N 334.762 3.462 30 1 EGEF C=CCOC(=O)NC1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587388763 GNBXTXROMFZXIF-UHFFFAOYSA-N 344.411 3.136 30 1 EGEF c1ccc(OCCO/N=C2\c3ccccc3OC[C@H]2n2ccnc2)cc1 169311207 DVHPGIFUVZXUEB-HYHOCUEZSA-N 349.390 3.317 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc2nc[nH]c12 587911751 PRWCAJRVSQSNDQ-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF CN(O)C(=O)C[C@@H](O)c1cc(Cl)ccc1OCc1ccccc1 1857607540 GRSPEAHRJCOVAI-OAHLLOKOSA-N 335.787 3.190 30 1 EGEF CN(C)c1ccc(-c2cc(=O)c3cc(C#CCCO)ccc3o2)cc1 100596158 ORWOONMICAVXBU-UHFFFAOYSA-N 333.387 3.260 30 3 EGEF C[C@@H]1C2=C[C@H](O)[C@H](C)[C@@]1(C)CC[C@]1(C)O[C@@H]1CC[C@@]1(C)O[C@H]1C2=O 2356794720 ICBRNEMEWKWIBL-ANQSSGSDSA-N 334.456 3.024 30 1 EGEF C=C1[C@H]2CC[C@H]3[C@](CC[C@@H]4[C@@H](CO)C[C@@H](OC(C)=O)C[C@]43C)(C2)[C@@H]1O 2356835027 KNIWPJFFKYTHNW-HXZSLLSJSA-N 348.483 3.070 30 1 EGEF C=C[C@]1(C)C[C@H](O)[C@]2(C)[C@H](C1)C(=O)C[C@H]1[C@]3(C)CCC[C@@]12OC3=O 85562046 WSTYWWAOPBFQRI-IUQYBBCHSA-N 332.440 3.031 30 1 EGEF C=CCn1c(NCC)nc2c(c1=O)C(C)(C)Cc1c(OC)cccc1-2 95603512 UQKAESUOKFCZLK-UHFFFAOYSA-N 339.439 3.370 30 1 EGEF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@H]1CC(=O)[C@]1(C)[C@H]2CC[C@@H]2O[C@@]21C 95914788 ZFBBUECJBMIEED-MHMVHWBXSA-N 344.407 3.437 30 1 EGEF biogenic,in-vitro N#Cc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1C#N 587177218 CYISTIPLKDMSHX-UHFFFAOYSA-N 332.342 3.108 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(-c2nc(=O)o[nH]2)c1 587905127 MCOGFRSDNHBDLE-UHFFFAOYSA-N 326.739 3.092 30 1 EGEF N#Cc1cccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)c1 59113343 GAWGFYBLRGTQOO-UHFFFAOYSA-N 345.446 3.319 30 1 EGEF CCOC(=O)Oc1ccc2[nH]c3c(C)cc(N=C(N)N)c(C)c3c2c1 103235147 AFVKENLXURXPCD-UHFFFAOYSA-N 340.383 3.378 30 1 EGEF CC(=O)OC=C(C)C1=C[C@]2(C)C(=CC1=O)[C@H](OC(C)=O)CC[C@H]2C 2356554703 VUQSDTNBGZBQBW-DPMMWBKBSA-N 332.396 3.257 30 1 EGEF COc1ccc(/C(=N\O)c2cccc(NS(=O)(=O)C(C)C)c2)cc1 27422044 DUPSOIASFXAWEK-ISLYRVAYSA-N 348.424 3.072 30 1 EGEF CO[C@@H]1CO[C@@]2(O)C(=O)C3=C(CCCC3(C)C)c3ccc(C)c1c32 2356717256 LOILOFQMQHVTFF-JLTOFOAXSA-N 328.408 3.404 30 1 EGEF CCO/N=C(\C)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1 96170348 JLJSJVGAIRCSCT-ZMOGYAJESA-N 346.394 3.024 30 1 EGEF Cc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 587897716 QIDDNNZBLULUEM-UHFFFAOYSA-N 339.247 3.469 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(cc1S)OCC(=O)N2 587919307 YKXWSBFLQQWCDK-UHFFFAOYSA-N 345.807 3.368 30 1 EGEF CC1(C)[C@H](CC#N)[C@H]1C[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962915166 UJIMFIKRBZCUIT-PITQQHRWSA-N 330.403 3.216 30 1 EGEF O=C(Cc1ccc(F)cc1)Nc1ccc2cc(C(=O)NO)sc2c1 28900017 FEGVBOWXHRVMSY-UHFFFAOYSA-N 344.367 3.341 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](CF)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC 2356583777 GTTGJFGTOPQRLF-UOIZHWRXSA-N 348.414 3.203 30 1 EGEF CC1=CC(=O)C[C@H](C)C[C@@H]2OC(=O)C(C)=C3CC[C@](C)(CC1)[C@@]32O 2356791723 IXGLBMQORNELCO-SOUCHZLYSA-N 332.440 3.485 30 1 EGEF N#C[C@@H]1[C@H](c2ccccc2C2=CCCC2)[C@@H](CO)N1C(=O)C1CCC1 95668015 TUPKURYWMXMENJ-AQNXPRMDSA-N 336.435 3.233 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)cn2)N1 587773337 QNQNLTBHBXMEOL-XXFAHNHDSA-N 346.203 3.478 30 1 EGEF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(C#N)cc(Br)c2[nH]1 587961946 HKIUCPRITDUHDC-SCZZXKLOSA-N 332.201 3.355 30 1 EGEF O=C(/C=C/c1ccc(CN2CCc3c([nH]c4ccccc34)C2)cc1)NO 13528235 UPLNFMGGXWLBTC-MDZDMXLPSA-N 347.418 3.245 30 1 EGEF O=C(O)c1ccc(COc2cccc(CCS)c2C(=O)O)cc1 1486115 SOMMCYYRPOBUID-UHFFFAOYSA-N 332.377 3.134 30 1 EGEF N#Cc1c(-c2ccccc2)cc(=O)n2c1[nH]c1ccc(C(=O)O)cc12 103159184 OVPBNMDGOFBOMT-UHFFFAOYSA-N 329.315 3.018 30 1 EGEF CC1=NN(C)[C@@H]2[C@H]1N/C(=N\c1c(C)cccc1Cl)c1cnc(C)n12 28385572 VVCCPVFLCHZEGL-RDJZCZTQSA-N 342.834 3.023 30 1 EGEF COc1cc(OC)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1 29133067 JVOXGQQMPCSFBL-GQCTYLIASA-N 342.347 3.337 30 1 EGEF C=CCC1=C[C@@]2([C@@H](C)Cc3ccc4c(c3)OCO4)OCOC2=CC1=O 238761053 PZLCJTIYVMBKSJ-RBZFPXEDSA-N 340.375 3.306 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C\CC/C(C)=C/[C@@H](O)C[C@H]2C 618009181 GQTPRLWQZDUWKJ-JRJQIZDISA-N 334.456 3.299 30 1 EGEF N#Cc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1C#N 587041748 PDDHRWVUHLSXGK-ROUUACIJSA-N 345.431 3.253 30 1 EGEF N#Cc1ccc2c(c1)oc1c(F)c(F)cc3c(=O)c(C(=O)O)cn2c13 1772629201 VHWPCKUSXSYIIN-UHFFFAOYSA-N 340.241 3.047 30 1 EGEF N#Cc1ccc(C(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1 1857543539 JCACGVWVECBJKF-MRXNPFEDSA-N 330.391 3.454 30 1 EGEF C=C1C[C@H](OC(=O)c2ccoc2)[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)[C@H]2C[C@H]12 2356287403 IJLKKSIWRVXSAM-HSFUPAIVSA-N 340.375 3.445 30 1 EGEF COC1=CC=C/C(=C2\N=C(N3CCC(C)CC3)c3ccccc3N2)C1=O 104029971 YCLXKRSHKWTGKZ-CAPFRKAQSA-N 349.434 3.471 30 3 EGEF O/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccccc1Cl 100064634 KBMINQNYZIHTHF-FXBPSFAMSA-N 344.846 3.126 30 1 EGEF C=C(C)[C@H]1Oc2c(cc(C(C)=O)c(O)c2OC)[C@H]1OC(=O)C(C)=CC 2356597240 AEOPRIJRFYKAQT-HZPDHXFCSA-N 346.379 3.491 30 1 EGEF C=C[C@]1(C)C=C2C(=O)[C@@]3(O)OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)[C@@H]2CC1 2356598763 AHEAPTSGUOGOKK-BWFCJQBJSA-N 330.424 3.156 30 1 EGEF COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCC=N2)cc1 72103148 VMQXWFQUXAGRIF-SILNSSARSA-N 326.356 3.018 30 1 EGEF O=C1C(Cl)=C(Cl)C(=O)C(CCNc2nccs2)=C1Cl 73333221 FRTLDDVGRABWTO-UHFFFAOYSA-N 337.615 3.279 30 1 EGEF C=C(C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@H]1[C@]23C 238765000 AAFGLKZFFAONJE-CPNIXPECSA-N 330.380 3.262 30 1 EGEF Cc1ccc(-c2ccc(-c3nc4nc(C#N)c(C#N)[nH]c-4n3)cc2)o1 586905629 WZYAVDZMXDSDRT-UHFFFAOYSA-N 326.319 3.283 30 1 EGEF Cc1n[nH]c(=S)n1/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 13111847 DMFOYLKFWPNFCW-NVNXTCNLSA-N 329.341 3.300 30 1 EGEF N#C[C@H](C(=O)Nc1ccc(SC(F)(F)F)cc1)C(=O)C1CC1 13760274 NYPCOHOWTLQKKY-NSHDSACASA-N 328.315 3.356 30 1 EGEF CN(C)CCN1N=C(c2ccc(F)cc2)CC2=C1CC(C)(C)CC2=O 169331925 COCOLFSVCCXSLZ-UHFFFAOYSA-N 343.446 3.440 30 1 EGEF COc1ccccc1-c1cn(-c2ccc(C(=O)O)c(O)c2)cc1C#N 200846744 MHQOMNZGJCCAEZ-UHFFFAOYSA-N 334.331 3.428 30 1 EGEF CC(C)=CCOc1ccc([C@@H]2C(=O)N(O)C(=O)C2=CC(C)C)cc1 2356434737 CIBYRBNESSOEJP-KRWDZBQOSA-N 329.396 3.456 30 1 EGEF C=C(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@@H]1C(C)(C)CCC[C@@]21C 2356446317 FBINAMHSQMBYIX-FKANQGBASA-N 330.424 3.420 30 1 EGEF CC(C)C1=C[C@H](O)[C@](C)(O)CC(=O)C[C@H](C)CC[C@@H]2O[C@]2(C)CC1 2356501009 KMGLSHJNTMTELI-RBUQIHAASA-N 338.488 3.398 30 1 EGEF CC(=O)NC(=O)[C@H]1C=C2C=CC=C[C@@H]2O/C1=N\c1ccc(Cl)cc1 95803159 XGROSMBMTONSEV-FXGXAGHBSA-N 342.782 3.100 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)C(=O)CC[C@@H](C)[C@@H](OC(=O)/C(C)=C\C)C[C@@H]12 238762981 RUHDFIFDAUWXFM-ZGSFLSSHSA-N 348.439 3.378 30 1 EGEF C=CCc1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587269273 KBIZOYOUZCLXFG-UHFFFAOYSA-N 346.350 3.447 30 1 EGEF C#CCCOC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587793524 NKQIWBKJNDUEBS-BMIGLBTASA-N 326.209 3.203 30 1 EGEF COc1ccc(C(=O)/C=C/c2cc3ccc(C)cc3n3nnnc23)cc1 1857604689 XPLKFHAUYAETAX-JXMROGBWSA-N 344.374 3.491 30 1 EGEF CCOc1ccc(NC2=C(Cl)C(=O)c3ccncc3C2=O)cc1 23595 NKFVQRVUZXSWTH-UHFFFAOYSA-N 328.755 3.422 30 1 EGEF Cc1cc(O)nc(SCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1C#N 101952911 YGTZTYURKUODOD-AAVRWANBSA-N 345.468 3.000 30 1 EGEF C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45CC4(CC[C@]35C)OCCO4)[C@H]1CCC2=O 2356729656 YXFMREIBQXTTRD-AWHUSSGWSA-N 346.467 3.473 30 1 EGEF C=C(CO)[C@H](O)CC[C@H](C)[C@H]1CC[C@H](C)c2c(O)cc(C(=O)O)cc21 2356852878 QUFNQUVOPIMKLO-ZILJWTLNSA-N 348.439 3.397 30 1 EGEF O/N=C(/c1cccnc1Oc1ccc2ccccc2c1)N1CCOCC1 72142914 JEYXCVKJXGOSRN-QOCHGBHMSA-N 349.390 3.495 30 1 EGEF C=CCn1c(NCC)nc2c(c1=O)C(C)(C)Cc1cc(OC)ccc1-2 95601452 JZWDIKXEEAIKSF-UHFFFAOYSA-N 339.439 3.370 30 1 EGEF COc1ccc(/C=N/N2C[C@@H](C)O[C@H](C)C2)cc1OC1CCCC1 299830992 NDQMTNKRDQKQQZ-SEWSTDIBSA-N 332.444 3.460 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(C2CC2)nc1C(=O)O 587903754 YDDWHTKTEZJRNN-UHFFFAOYSA-N 328.755 3.114 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(S(C)(=O)=O)ccc1F 587916881 WZHITLYMIRLNQA-UHFFFAOYSA-N 338.787 3.291 30 1 EGEF C/C=C(/C)C(=O)O[C@@H]1c2ccoc2C(=O)C2=C[C@H](O)C[C@H](C)[C@]21C 1772491053 VWUPQZXUHCYORA-ZEQRYJAYSA-N 330.380 3.360 30 1 EGEF CCCC[C@@H](CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 13808908 YPLGVMIJHPJLRA-HNNXBMFYSA-N 335.425 3.068 30 1 EGEF C[C@H]1CCC/C(=N/N=C2/SCC(=O)N2C(=O)c2ccccc2)C1 1857641379 BGAUYKAGZMLSID-FOXVINPPSA-N 329.425 3.324 30 1 EGEF COc1ccccc1/C=C/C=N\[C@H]1C(=O)N(c2ccccc2)[N+](C)=C1C 104001273 HCRFYBMVNBFTDG-BBIWQWMFSA-N 348.426 3.213 30 3 EGEF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@@H]1CCOC1=O 28873838 IIQTYUHKBFMVCV-UQZPWQSVSA-N 336.472 3.072 30 1 EGEF CCCCCCCCCC[C@@H](N)C(=O)N(O)CCC[N+](C)(C)C 64559222 UFALZKNOCFUELM-QGZVFWFLSA-N 330.537 3.159 30 1 EGEF CCOc1ccccc1Oc1ncccc1/C(=N/O)N1CCC=N1 72101015 QUJPXJUBFUMCOB-SILNSSARSA-N 326.356 3.100 30 1 EGEF O=C1Nc2ccc(F)cc2/C1=C1/Nc2cc(F)c(F)cc2/C1=N\O 299864937 SFSDFPHZJCJWLH-CEUPHZNOSA-N 331.253 3.071 30 1 EGEF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 587936713 LRLAUQZBWYFGTM-ADLMAVQZSA-N 332.363 3.152 30 1 EGEF C[C@@](O)(c1ccc(F)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1 169310963 ARYBRLXZTNECIC-LJQANCHMSA-N 334.354 3.487 30 1 EGEF CC(C)(C)NC[C@H](O)CON=C(c1ccccc1)c1ccccc1 169332564 OOYOSPVOKUFHQY-SFHVURJKSA-N 326.440 3.205 30 1 EGEF COc1cc(OC)c2c(c1)OC(=Cc1ccc(OC)c(O)c1)C2=O 2356474010 YUECETOWCFGWQI-UHFFFAOYSA-N 328.320 3.034 30 1 EGEF C=C1C2=CC(=O)[C@H](C)[C@@]1(C)CC[C@]1(C)O[C@@H]1CC[C@]1(C)O[C@@H]1C2=O 2356400192 SSFZHIUXTRJVFK-BGSZODNUSA-N 330.424 3.152 30 1 EGEF O=C(C=CC=Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1 2356461087 VJJPCEDEDJXHHK-UHFFFAOYSA-N 326.348 3.280 30 1 EGEF COC[C@H](C)N/C(=N\O)c1ccnc(Oc2ccc(SC)cc2)c1 72182687 VERAARORQXOKHS-LBPRGKRZSA-N 347.440 3.356 30 1 EGEF C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)/C=C/CC(=O)OC 72104332 KJHMKRHEJWSQIB-YPWKKJFASA-N 347.411 3.404 30 1 EGEF Cc1ccc2c3c(ccc2c1C)C(=O)C1=C(OC[C@H](C)[C@H]1CO)C3=O 13380163 VTSFLCVRCKVBCB-MEDUHNTESA-N 336.387 3.365 30 1 EGEF biogenic O=C1NCC/C(=N\Nc2ccncc2)c2c1[nH]c1ccc(Cl)cc21 70460239 ZNNLDTASWRREPM-OEAKJJBVSA-N 339.786 3.166 30 1 EGEF O=C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601481 GLLSBZQHAMFARU-WIYYLYMNSA-N 346.338 3.448 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2nc(CC(=O)O)[nH]c2c1 587908002 YTWBUMMWIXHCBI-UHFFFAOYSA-N 340.766 3.252 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(C(=O)O)nc1O 587903063 JIVUOGSWNHWYMM-UHFFFAOYSA-N 338.146 3.201 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C)nn(CCN(C)C)c1C 587902278 CABWVYVQYXSORG-UHFFFAOYSA-N 331.847 3.123 30 1 EGEF N#Cc1c(N2CCOCC2)c2ccccc2n2c1nc1ccccc12 169339761 BTTAIHJWSSKZMG-UHFFFAOYSA-N 328.375 3.349 30 1 EGEF C=CCNC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1 27856288 MUNIVTFVODVKKR-UHFFFAOYSA-N 345.830 3.088 30 1 EGEF O=C(/C=C(\O)c1ccccc1)c1ccc2ccc(C(=O)O)c(O)c2n1 101001276 JJXBOVFTGRZPSQ-GDNBJRDFSA-N 335.315 3.420 30 1 EGEF CC[C@]1(O)C[C@@H](O)[C@H]2[C@@H]3CC[C@H]4CC(O)=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C 2356314308 YXMCPINQJVUPGV-LQFJREIHSA-N 348.483 3.372 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(C)[C@H](O)[C@H](OC(=O)[C@H](C)CC)[C@H]12 2356565290 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C=C1C(=O)O[C@@H]2C[C@@H]1CCC(=C)[C@H](O)CCC(C)=CCC[C@]2(C)O 2356541445 DCUOGCPPMKAPLI-XFKSJGNHSA-N 334.456 3.443 30 1 EGEF C=C(C)[C@@H](O)CCC(=CCOc1cc(=O)oc2cccc(C)c12)CO 2356557327 KGIMVEYISNCCTO-INIZCTEOSA-N 344.407 3.116 30 1 EGEF C[C@@H]1C2=C[C@H](O)[C@H](C)[C@@]1(C)CC[C@]1(C)O[C@@H]1CC[C@]1(C)O[C@@H]1C2=O 2356794723 ICBRNEMEWKWIBL-UDBXVAELSA-N 334.456 3.024 30 1 EGEF CC(=O)C1=CC=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 255193405 AHHYSCJINWRGPT-RNULCSFESA-N 330.468 3.406 30 1 EGEF Cc1ccc(C#CC2=C[C@@H]3C[C@@]4(OC(=O)C=C24)[C@H]2CCCCN32)cc1 653861803 RROBXIGGEJXJEQ-UZKOGDIHSA-N 331.415 3.135 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C(F)F)N1 587720916 OVUQLFUZNMOGHI-WPPNPWJKSA-N 333.151 3.496 30 1 EGEF O=C1NC2=C(C(=O)CCC2)[C@H](c2cc3ccccc3[nH]c2=S)N1 103283174 LDEJJYYZOOPTKZ-HNNXBMFYSA-N 325.393 3.258 30 1 EGEF COc1ccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cc1OC 113252173 DJESRDUBEUNCSG-HNNXBMFYSA-N 337.419 3.171 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@H]12 2356550956 OMDUJIAGTIZPFC-ZJPYXAASSA-N 346.423 3.010 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1CC=C(C)[C@@H](O)CCC(C)=CCC[C@]2(C)O 2356760630 ASSMVNDLURCOIV-LXZJYRNTSA-N 334.456 3.443 30 1 EGEF Cn1c2cc(C#N)sc2c2cnn(Cc3ccccc3F)c(=O)c21 36379096 SMHBUEWLEDJPBO-UHFFFAOYSA-N 338.367 3.009 30 1 EGEF N#CCNC(=O)[C@@H]1CCCC[C@@H]1CSc1nc2ccccc2o1 82064365 KIIFUHXEHAZLMN-CHWSQXEVSA-N 329.425 3.366 30 1 EGEF CC(=O)C1=CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 255272403 UYGZZVKOVWATFR-KVDGJZSYSA-N 326.436 3.390 30 1 EGEF CC(C)CCOc1cccc(-c2cc([S@@](C)=O)c(C#N)c(O)n2)c1 299856445 BYBQJGHUMXCMLD-XMMPIXPASA-N 344.436 3.488 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ncc(Br)nc1C#N 587913582 XRCZTAWBSZFHIW-UHFFFAOYSA-N 348.587 3.173 30 1 EGEF C=C1CCN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccccc21 13830924 CLMPUPUNEMTDBX-UHFFFAOYSA-N 329.421 3.303 30 1 EGEF CC(C)C1=C[C@@H]2C[C@]3(C#N)[C@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O 169324239 LFUZWEFVOVESCP-GNYHXKKUSA-N 329.440 3.228 30 1 EGEF CN(C)/N=C/c1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 6996277 MUASEFQKQYQKJF-RIYZIHGNSA-N 336.329 3.143 30 3 EGEF CCCCN1NN/C(=N\C(=O)Nc2c(C(C)C)cccc2C(C)C)N1 27438645 KENWCOMAIBSJBT-UHFFFAOYSA-N 346.479 3.451 30 1 EGEF CCCCCCCC[C@H](O)[C@H](O)C=C[C@H](O)CCCCC(=O)O 2356498827 KFPLVZLISLBBSJ-IXDOHACOSA-N 330.465 3.021 30 1 EGEF C=C[C@@](C)(O)CC(=O)C=C(C)CCC=C(C)[C@H](O)C(=O)C=C(C)C 2356548715 BKESAQVDKCRGEE-VQTJNVASSA-N 334.456 3.452 30 1 EGEF C=C[C@@](C)(O)CC(=O)C=C(C)CCC=C(C)[C@@H](O)C(=O)C=C(C)C 2356548716 BKESAQVDKCRGEE-WOJBJXKFSA-N 334.456 3.452 30 1 EGEF CCOc1ccc(C#Cc2ccc([C@@H](C)NC(=O)CCO)cc2)cc1 113413668 RLNJDBHMYXSFBW-MRXNPFEDSA-N 337.419 3.045 30 1 EGEF C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 2356735221 FCLVCSQYVQXMRZ-RUGCIADISA-N 348.458 3.025 30 1 EGEF CC(C)=CC[C@@]12C(=O)C=C[C@@](O)(CC[C@H]1c1ccc(O)cc1)C2=O 13307984 LDQGHYBYTNQNFR-VDGAXYAQSA-N 326.392 3.051 30 1 EGEF biogenic 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C=C1C(=O)O[C@H]2C[C@@](C)(O)[C@@H](O)CC/C(C)=C/CC/C(C)=C/C[C@H]12 238751941 AQTDUFOIYAZLRP-VURMTFLWSA-N 334.456 3.443 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c[nH]nc1-c1cnn(C)c1C 587910208 ORFZGNCQEBHUNE-UHFFFAOYSA-N 326.787 3.180 30 1 EGEF C[C@H](C#N)c1c(-c2cccnc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650957 IRQOFUPFHRUOBN-LLVKDONJSA-N 325.393 3.260 30 1 EGEF COC(=O)c1cc(N)c(C)cc1C#Cc1cc(Cl)ccc1OC 587900645 OLCWXEQMGRIUCU-UHFFFAOYSA-N 329.783 3.426 30 1 EGEF CN1CC[C@]2(CC1=O)c1ccccc1CCN2[C@H](C#N)c1ccccc1 963186868 GZPIUVHJEKQMQI-IRLDBZIGSA-N 345.446 3.257 30 1 EGEF CC(C)(C)C(=O)O/N=C(\Cn1cncn1)c1ccc2ccccc2c1 1772585272 QODMBCCPHYDKOK-OQKWZONESA-N 336.395 3.425 30 1 EGEF CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@@H]2C=C(C)CCC=C(C)C)C1 2356497508 PXCPYWFVMWHLIE-POAQFYNOSA-N 346.423 3.442 30 1 EGEF C[C@@]12C=C[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO 253634535 PQNWXGPSXYSRRL-HCNLZUIDSA-N 328.452 3.472 30 1 EGEF CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1cc(O)cc(O)c1 653901784 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N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1cccc(C(=O)O)c1 200847187 XGNJKEAKRDTBBQ-UHFFFAOYSA-N 332.315 3.412 30 1 EGEF N#Cc1c(-c2cccs2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 58512584 QSJPUOZARQWATM-UHFFFAOYSA-N 338.175 3.014 30 1 EGEF C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@]2(O)CC1 2356694192 XARJWEAKRVLXPB-ZNYHDOEXSA-N 332.440 3.212 30 1 EGEF COc1ccc(Oc2cc(/C(=N/O)NCc3ccco3)ccn2)cc1 72182949 PBMPRUOTRSMRCI-UHFFFAOYSA-N 339.351 3.401 30 1 EGEF C=C1CC/C=C(\C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@@H]1O2 45366820 HNHDPFYELJZTEZ-ADDMBWQFSA-N 332.440 3.459 30 1 EGEF C=C1C(=O)O[C@H]2C[C@]3(C)O[C@@H]3CC/C(C)=C/[C@H](OC(=O)/C(C)=C\C)[C@H]12 238789506 DTOFRQNTRKNUMY-QKSLMMADSA-N 346.423 3.250 30 1 EGEF CC(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(C#N)cc3C2)CC1 253640409 MDNAENMGHFQWFO-UKIBZPOASA-N 325.456 3.001 30 1 EGEF CCOC1=C(OCC)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587525693 QZARIGGIUDLZOZ-FQEVSTJZSA-N 342.391 3.137 30 1 EGEF C[C@H]1CC=C(NN=C2SCC(=O)N2CC(=O)c2ccccc2)CC1 957871440 WIAMULALCDGQKU-ZDUSSCGKSA-N 343.452 3.009 30 1 EGEF CC[C@H]1OC=CC(=O)[C@]12NC1(CC1)Cc1ccc(Br)cc12 961614368 KVHOLUIUXKWURV-WBVHZDCISA-N 348.240 3.214 30 1 EGEF O=C(O)[C@H]1CCCN(CCO/N=C/c2ccc(F)c3ccccc23)C1 1857553513 GYNDYLBLQSPGPS-NGZBARDMSA-N 344.386 3.126 30 1 EGEF COc1ccc2c(c1)CCN(CCCC#Cc1ccccc1)C[C@H]2O 1857570701 ARMFSRIEIRUWLQ-JOCHJYFZSA-N 335.447 3.419 30 1 EGEF CC[C@@]1(O)C[C@H](O)[C@H]2[C@@H]3CC[C@H]4CC(O)=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C 2356314309 YXMCPINQJVUPGV-VSWXGEMISA-N 348.483 3.372 30 1 EGEF CC1=CC=C(C(C)C)C(=O)[C@H](O)[C@@H](C)CCC(=O)[C@H](CO)CCC1 2356455363 PTPYXTLRNJFEMB-TXPKVOOTSA-N 336.472 3.223 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C[C@H](C)[C@@H](OC(=O)C(C)=CC)C[C@@H]12 2356541464 DJGASAIKXNFYNL-PEJOBZMASA-N 348.439 3.089 30 1 EGEF CCCCCCCC(=O)C[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O 2356596240 IBUAVAYGESTICD-IPYPFGDCSA-N 341.473 3.069 30 1 EGEF C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@@H](C)[C@]12C 2356624120 RRRSBSBOBMCFGX-CJOZWWGPSA-N 332.396 3.358 30 1 EGEF N#Cc1ccc(C(=O)OCCCc2cc3ccccc3c(=O)o2)cc1 36388922 VSLYCMLRQGQNRM-UHFFFAOYSA-N 333.343 3.454 30 3 EGEF O=C(NO)c1ccc(-c2ccn(CCCc3ccccc3)n2)s1 40575998 MLOGMRTUBVYPGZ-UHFFFAOYSA-N 327.409 3.363 30 1 EGEF O=c1c2ccc(/C=N/Nc3ccccn3)cc2oc2cc(O)cc(O)c12 40954011 XPUGVENNXXTIQQ-UFFVCSGVSA-N 347.330 3.198 30 1 EGEF C=CCc1cc(/C=C2\SC(=O)N(CC=C)C2=O)c(OC)cc1O 299835295 DCEGEQJEADLELI-DHDCSXOGSA-N 331.393 3.352 30 1 EGEF N#Cc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587526415 RHMLZKBUWXJTOI-NRFANRHFSA-N 344.370 3.250 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(N2CCOCC2)nc1C 587902905 DSTPNMLRJQXRLH-UHFFFAOYSA-N 342.826 3.288 30 1 EGEF CN1C(=O)[C@@H](CC(=O)NC2CCCCC2)S/C1=N\c1ccccc1 18021988 YRMRLKJXSVNPGE-MEUCICPISA-N 345.468 3.087 30 1 EGEF CSc1nn(-c2cc(Cl)nc(-c3ccccc3)n2)c(N)c1C#N 384919 VYGZDGWMOIYMKL-UHFFFAOYSA-N 342.815 3.158 30 1 EGEF C=C1[C@H]2[C@H](CO)C[C@@](C(=O)CCc3ccccc3)([C@@H]2OC)C1(C)C 2356381522 PSGRNASJIVXJTO-XFIJJGBISA-N 328.452 3.414 30 1 EGEF COc1ccc(/C(=N\O)c2ccc3c(ccn3C)c2)c(OC)c1OC 45300762 VFKADOCGCFJYGU-JZJYNLBNSA-N 340.379 3.431 30 1 EGEF COc1c(O)c(OC)c(OC)c(C(=O)C=Cc2ccccc2)c1O 2356451205 VVRYLGPIHBOLAX-UHFFFAOYSA-N 330.336 3.020 30 1 EGEF C=C1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@](C)(C(=O)OC)[C@@H]4C[C@H](O)[C@@]3(C2)[C@@H]1O 2356512349 YQDUZTAKTKFQPP-RPFZEJPASA-N 348.483 3.070 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(OC)C=C[C@@](C)(C[C@H](OCC(C)C)[C@@H]12)O3 2356652743 OCMNFBXJZYUCJE-QBYKVAOYSA-N 348.439 3.163 30 1 EGEF COc1cc2c(c(O)c1CC=C(C)CC(=O)C=C(C)C)C(=O)OC2 2356697247 BFNRWRVOUBCLCW-UHFFFAOYSA-N 330.380 3.485 30 1 EGEF C[C@@H](O)[C@H]1C(=O)C[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356742284 IHQXZVCCBKQVHK-OAJXSNQRSA-N 328.452 3.470 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](CF)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O 2356772938 MOQRYJUIYPNVBO-KTRXYVHISA-N 334.387 3.115 30 1 EGEF CC[C@]12CCC(=O)C(Br)=C1c1ccc3n[nH]nc3c1C2 34028805 PJGGLTSPHFWUOS-OAHLLOKOSA-N 332.201 3.379 30 1 EGEF COCc1ccc(C#Cc2cc(Cl)ccc2OCC(=O)O)c(F)c1 73196250 HRYBEMYVVWOVIC-UHFFFAOYSA-N 348.757 3.489 30 1 EGEF CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@]23C 138629394 XQOSNJUURCKQGN-VJYSTCJDSA-N 344.451 3.197 30 3 EGEF in-vitro C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H](O)/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 238757247 ZYKRXWIPMUJNME-ZRACDDSFSA-N 346.423 3.010 30 1 EGEF CC(C)=CC[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)C[C@H](C)O[C@]431)C2=O 299813838 REMHECGSDXLQKX-MZPLKYJQSA-N 330.424 3.152 30 1 EGEF COC(=O)c1[nH]c2ccc(OC)cc2c1/C=C/C(=O)c1ccncc1 299863907 QEMYIUNLDLZCAD-GQCTYLIASA-N 336.347 3.254 30 1 EGEF C=CCOc1cccc2c1C(=O)c1c(OCC=C)cc(C=O)cc1C2=O 473154254 FUKFIWUBCVWRSC-UHFFFAOYSA-N 348.354 3.404 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C[C@@H](C(=O)O)CN2 587909513 YHXSGNJZNCXBME-OAHLLOKOSA-N 341.794 3.417 30 1 EGEF COc1ccc(/C=C2\Oc3cc(O)c(C)c(OC)c3C2=O)cc1O 14760992 IEOVAYFLORPJRQ-CHHVJCJISA-N 328.320 3.040 30 1 EGEF C=CCc1cc(/C=C/C(=O)O)cc(C(=O)NCCc2ccccc2)c1 1857598166 NSKRGXNUWPMSGB-MDZDMXLPSA-N 335.403 3.485 30 1 EGEF CC(=O)C1=C(O)[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H](C=C(C)C)N2C1=O 2356325275 NZIXIWLXGCTHNZ-CVEARBPZSA-N 336.391 3.343 30 1 EGEF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](C[C@H]4O[C@]412)[C@@]1(CO1)C3 103109605 LJXZNYIHYUWUED-DNIMXCGJSA-N 346.467 3.473 30 1 EGEF COC(=O)N1CC[C@](O)(C#Cc2cccc(C)c2)[C@H]2CCCC[C@H]21 103273444 KHTQLWFDNBGZGX-NLWGTHIKSA-N 327.424 3.109 30 1 EGEF COc1ccc(OC)c2c1CC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2356847395 HENGARJLUKMLFI-UHFFFAOYSA-N 325.320 3.434 30 1 EGEF Cc1nn(-c2ccccc2)nc1C(=O)c1coc2cc(C#N)ccc12 587277692 CRLYORYFPBKYGZ-UHFFFAOYSA-N 328.331 3.425 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(N2CCNC2=O)cc1 587908180 VCZVXXAPGSWROD-UHFFFAOYSA-N 326.783 3.278 30 1 EGEF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 587936721 LRLAUQZBWYFGTM-ZMZPIMSZSA-N 332.363 3.152 30 1 EGEF C#Cc1cccc2c1[C@@]1(C(=O)N2)c2ccc(F)cc2C[C@@H]2CCCN21 963106421 NAYOZNZOKFBDQF-HRAATJIYSA-N 332.378 3.023 30 1 EGEF COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2C2CCCCC2)cc1 38853816 VDMUUPCXLAKUJY-KRWDZBQOSA-N 329.396 3.392 30 1 EGEF O=C1C=CC=C/C1=C\NNc1ccnc(SCc2ccccc2)n1 13122257 DRKXSXBEPDDWFK-NTCAYCPXSA-N 336.420 3.264 30 3 EGEF O=C(/C=C/c1ccc(CNCCc2coc3ccccc23)cc1)NO 13528127 JGTCTTGDRUHLHS-MDZDMXLPSA-N 336.391 3.284 30 1 EGEF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@@H](C)O[C@H](C)C4)[C@H]3C[C@@H]12 19703267 CNUKCRQWTYDAEH-IWAFHXCCSA-N 347.499 3.410 30 1 EGEF CCCCc1ccc(-n2nc3c(c(C#N)c2=N)CC(C)(C)OC3)cc1 169730355 KOJKNTWEHFFBCM-UHFFFAOYSA-N 336.439 3.417 30 1 EGEF CC=C(C)C(=O)C[C@]1(O)[C@](C)(O)CC[C@@]2(O)C(C)(C)CCC[C@]21C 2356472340 TYUIIMQERZUJOC-UAFMIMERSA-N 338.488 3.135 30 1 EGEF C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12 59779326 ZHNTWXWAMWPYNI-ISMBWBSXSA-N 332.440 3.076 30 1 EGEF CC(C)=CCC(=O)[C@]1(O)C=C(C(=O)C(C)C)C(=O)[C@@H]1CC=C(C)C 59064679 PUGYKQZROLGNEF-JXFKEZNVSA-N 332.440 3.350 30 1 EGEF in-vitro CC1=CC=C(C(C)C)C(=O)[C@H](O)[C@@H](C)CCC(=O)[C@@H](CO)CCC1 2356455360 PTPYXTLRNJFEMB-FRQCXROJSA-N 336.472 3.223 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C(=O)CC=C(C)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356463586 FKDIIXZIKCNXAT-KSZLIROESA-N 344.407 3.218 30 1 EGEF C=C1C[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=CC)C=C(C)CCC1=O 2356486537 WCTVCSTUKQFAEX-FGTMMUONSA-N 344.407 3.218 30 1 EGEF C=C[C@]1(C)C[C@@](O)([C@H]2OC2(C)C)Oc2c1c(=O)oc1cccc(C)c21 15204722 GTHJSZWFFNGEQF-SXLOBPIMSA-N 342.391 3.194 30 1 EGEF biogenic CC1=C2CC(C)(C)/C=C/C(=O)/C(C)=C/C3=C[C@@](C)(O)C[C@]3(O2)C1=O 85952305 NJYLTGCMNHNUHS-PSBVTFPKSA-N 328.408 3.181 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1[C@@H](CN)N(C)C 587901581 JOFGWUUQGSEHSB-GOSISDBHSA-N 328.843 3.310 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CC(=O)O)c(OC)c1 587903518 HZWLNGPMTXHDPD-UHFFFAOYSA-N 330.767 3.384 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccsc1CN1CCNCC1 587919090 ROUVMGVBNYKZPC-UHFFFAOYSA-N 346.883 3.215 30 1 EGEF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)nc2)N1 587769962 HEJNOYQSGFTBGZ-ABKXIKBNSA-N 346.203 3.478 30 1 EGEF CCOC(=O)c1ccc(/N=C/c2c(O)oc3ccccc3c2=O)cc1 6350461 RVQGAJODSRGQTM-RGVLZGJSSA-N 337.331 3.426 30 1 EGEF CCCCOC(=O)C(=O)/C=C(\O)c1cccn1Cc1ccc(F)cc1 101026484 XSSDKRLYQSVZEE-ATVHPVEESA-N 345.370 3.487 30 1 EGEF C=C[C@]1(C)C=C2[C@@H](O)C[C@H]3C(C)(C)CCC[C@]3(C(=O)O)[C@@]2(O)CC1 73219349 LSAWYRWWGBNFFQ-HVXNZKGKSA-N 334.456 3.292 30 1 EGEF CC(=O)O[C@@H]1C/C(C)=C\CC[C@]2(C)O[C@H]2[C@H](OC(C)=O)[C@H]1C(C)C 238779316 DRGFRBPYLMWXJS-FWQXVSNISA-N 338.444 3.410 30 1 EGEF CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1C#N 95896157 IZFYFHKVTPITSM-IPMKNSEASA-N 339.439 3.026 30 1 EGEF C=CCN1C(=O)S[C@@H](Cc2nc3ccc(SC)cc3[nH]2)C1=O 587042896 OAJALYXIECTCRK-LBPRGKRZSA-N 333.438 3.077 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnn(-c2cc(Cl)ncn2)c1 587909356 PTFDTPYCLXNQSE-UHFFFAOYSA-N 345.189 3.378 30 1 EGEF Cc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1O 587890079 OHPBINRCKUZKLI-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF C=CCOC(=O)CC[N+]1=CCC(c2ccccc2)(c2ccccc2)O1 17216551 DJJHTELNQHAMAV-UHFFFAOYSA-N 336.411 3.468 30 1 EGEF C=CCNc1ccc(N2C(=O)[C@H]3CC[C@H](C)C[C@@H]3C2=O)cc1[N+](=O)[O-] 169304304 RPXVFSXKBAUKST-UBHSHLNASA-N 343.383 3.118 30 1 EGEF C=C1C(=O)O[C@H]2CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@@H](O)C[C@H]12 255219029 HZAPTPBMBOIGCM-DOADOZAASA-N 334.456 3.443 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356557993 ITWYQAIFKHRKRR-KURKYZTESA-N 346.423 3.011 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC(=O)C[C@H]2C)[C@@H](OC(=O)C(C)=CC)[C@@H]1O 2356626396 WLNBDZUPCWZZJJ-NNCCGUNWSA-N 334.456 3.443 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c(OC)cc1N 587900006 KTENOBUYZPKRSE-UHFFFAOYSA-N 331.755 3.037 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(C(=O)O)c1F 587915695 SSNYDWRWMHBGNL-UHFFFAOYSA-N 349.701 3.494 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c2n[nH]cc2c1 587907853 VRJHWBTXMPBWAX-UHFFFAOYSA-N 326.739 3.323 30 1 EGEF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1ccc(N)c(C#N)c1 963259935 VCSUMHMMLLNVKJ-SFHVURJKSA-N 327.815 3.212 30 1 EGEF COc1ccc(-c2cc(C#N)cc3c(C)c4n(c23)CCNC4=O)cc1 169353891 DRICTVIAMIAFFG-UHFFFAOYSA-N 331.375 3.240 30 1 EGEF Cc1ccc2c(n1)C(=O)C(Cl)=C(NCCc1ccccc1)C2=O 1857575229 IVQMIQNZRKOOPE-UHFFFAOYSA-N 326.783 3.052 30 1 EGEF COC(=O)[C@@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@H]2C)CN1 33913692 MVBWBQNHPLNREC-LHSJRXKWSA-N 339.435 3.147 30 1 EGEF O=C1C(Nc2ccc(C(F)(F)F)cc2)=C(Cl)C(=O)c2[nH]ncc21 28604222 UQNFSLKPDVTAOI-UHFFFAOYSA-N 341.676 3.370 30 1 EGEF CC(=O)O[C@@H]1C=CC(=O)[C@]2(CC(=O)O[C@@H]2C=C(C)CCC=C(C)C)C1 2356497509 PXCPYWFVMWHLIE-YVWKXTFCSA-N 346.423 3.442 30 1 EGEF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](C)CC[C@@H]3O[C@@]31[C@@H]2O 2356550612 ICAKWODMRWJSPW-XIAUTDSRSA-N 334.412 3.449 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C[C@@H]2O[C@]23Cc2occ(C)c2[C@H](O)[C@@]3(C)[C@@H]1C 2356568195 HLIIVYQEGUVQGH-YXPQKUNCSA-N 346.423 3.239 30 1 EGEF CC1=C2SC3=C(C)C(=O)C(C)(C)N[C@]3(C)CC2=NC(C)(C)C1=O 2356873276 ZDXUEFHKTNSEPI-GOSISDBHSA-N 332.469 3.183 30 1 EGEF Cc1noc(C)c1-c1ccc2c(c1)[C@@](O)(C#Cc1ccccc1)C(=O)N2 219520420 AQYIBHLSQCAXFT-NRFANRHFSA-N 344.370 3.150 30 1 EGEF N=c1[nH]ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 586908650 CNAMYUBGARGFOQ-QGZVFWFLSA-N 342.443 3.020 30 1 EGEF Cc1ncc(O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881269 JKJVZWLJIRTKTQ-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF COc1cc(/C=N/c2ccc3c(c2)OCCO3)cc(OC)c1OC 1772592140 CCURJHBKERTVDN-YBFXNURJSA-N 329.352 3.234 30 1 EGEF NC1=C(c2ccc(OC(F)(F)F)cc2)C(=O)c2ccccc2C1=O 169340149 KVNYWMBORWPXAI-UHFFFAOYSA-N 333.265 3.334 30 1 EGEF O=C(N[C@@]12CCC[C@@](C#Cc3cccc(F)c3)(CC1)C2)c1cnccn1 204957648 XXTYQEKUMZLRNC-RTWAWAEBSA-N 349.409 3.490 30 1 EGEF C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O 100198725 MXCOJKLBLFWFNI-IATJTFMBSA-N 330.424 3.413 30 1 EGEF in-vitro COc1ccc(Cl)cc1C#Cc1ccc(Cn2ccc(=N)[nH]2)cc1 587905738 GNEIKVVSZLAXGL-UHFFFAOYSA-N 337.810 3.406 30 1 EGEF C=CCc1cccc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc12 586951002 PEMGJJDUQPAOHF-UHFFFAOYSA-N 327.409 3.330 30 1 EGEF C=CC[C@]1(c2ccccc2F)N[C@H](C(=O)O)Cc2cccc(F)c21 962908010 KEPYEPYRBPNFRZ-QFBILLFUSA-N 329.346 3.383 30 1 EGEF C#Cc1ccc(NC(=O)Nc2cccc3c2[C@H]2CCCCN2C3=O)nc1 1857547316 YMKLYPOHJFYJBU-MRXNPFEDSA-N 346.390 3.388 30 1 EGEF COc1cccc(-c2ccc3c(Cl)cnc(N=C(N)N)c3c2)c1 26965951 XJVLWXLPNJUSJK-UHFFFAOYSA-N 326.787 3.469 30 1 EGEF CN(C)/C=N/c1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1 100768761 PUABYUIUCICQHS-AWQFTUOYSA-N 334.305 3.032 30 1 EGEF C=CCc1c(C)nc(-c2cnccn2)nc1Nc1ccc(C(=O)O)cc1 71294776 SIBPGAJIJPREGJ-UHFFFAOYSA-N 347.378 3.412 30 1 EGEF N#C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)Cc1cccs1 49089668 FFAORJHWGHHDFM-HKUYNNGSSA-N 349.459 3.022 30 1 EGEF Cc1cccc(C#CC=C2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 141400081 WYDQDVYUIYFOCH-UHFFFAOYSA-N 334.379 3.272 30 1 EGEF CO[C@H](C)COC1CCC(c2nc3cc(C#N)c(C#N)cc3[nH]2)CC1 587952396 QCCSNQTVWZHPFN-VEAWUBTESA-N 338.411 3.384 30 1 EGEF COC(=O)c1c(C#Cc2cc(Cl)ccc2OC)ccc2n[nH]cc12 587902331 CVEIXOPXQVQKKG-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1C[C@@H](C#N)CO 587901909 ZRMRXEQWBYZHFY-AWEZNQCLSA-N 325.795 3.423 30 1 EGEF N#Cc1cc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)ccn1 961618225 YWFXCWLDNJWPDV-INIZCTEOSA-N 340.224 3.483 30 1 EGEF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)CO 17381131 ZCFUAGVJMSGCHS-WYLBFHJUSA-N 332.484 3.488 30 1 EGEF in-vitro O=C1C(Cl)=C(Nc2ccc(C(F)(F)F)cc2)C(=O)c2[nH]cnc21 27110248 WXTJBMFCHBTGED-UHFFFAOYSA-N 341.676 3.370 30 1 EGEF C=C1C(=O)O[C@H]2CC(=C)[C@H](O)CCC(C)=C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356635098 UPYSSTOWRYYTEG-VSZNYVQBSA-N 346.423 3.010 30 1 EGEF C=C(C)[C@H](O)CC[C@H](C)CCC[C@H](C)CCC[C@](C)(O)[C@H](O)CO 2356675852 IJARVPWBFHJSRM-UTBUEMAESA-N 344.536 3.421 30 1 EGEF C=C1C[C@@H]2O[C@@H]2[C@](C)(O)CC[C@@H]2C3=C[C@H](C=C(C)C)O[C@@H]3OC[C@@H]12 2356802524 SITAZKMSUFRJRQ-RESXVSDNSA-N 332.440 3.125 30 1 EGEF CCCOc1ccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)nc1 142367406 NYLVYXJOEAXSRY-INIZCTEOSA-N 336.435 3.337 30 1 EGEF C=C(C)[C@H]1C[C@@H]2C(C)(C)C(Br)=C[C@H](O)[C@@]2(C)OCO1 238766655 WEXKOQISSZMUMG-ZSEWYUTFSA-N 331.250 3.380 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)cc2nc(O)n(C)c12 587917518 LEGURLHSIMDWGJ-UHFFFAOYSA-N 330.746 3.480 30 1 EGEF C#C[C@@]1(C(OCC)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 587477646 DODIPSYHBWCYBU-IBGZPJMESA-N 332.396 3.081 30 1 EGEF C[C@H](Cc1ccc(OCc2ccccc2C#N)cc1)N(C)CC(=O)O 1857769709 NPVGQRYYHIGFEH-OAHLLOKOSA-N 338.407 3.085 30 1 EGEF C=C1C[C@@]23CC[C@@]1(O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 2356574663 HXWVTJWDIUTHPK-QPLUWCFDSA-N 348.439 3.076 30 1 EGEF CC=C(C)C(=O)OC1=CC(C)=CCC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]12 2356627564 NATYHFZQSYHMDF-PSGOZKBKSA-N 346.423 3.455 30 1 EGEF O=C1CC[C@H](O)[C@H]2C1=C(O)C=CC21Oc2cccc3cccc(c23)O1 14636428 KHWCPGYSJZWUAY-LIRRHRJNSA-N 336.343 3.029 30 1 EGEF biogenic C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(\C)CC[C@H]2O 238788439 OASCGMGKXPPAEW-OAYFMOFJSA-N 334.456 3.443 30 1 EGEF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\C#Cc1ccc(C)c(F)c1 261134019 LSHYSRPXQSYQAD-RCHHYZAASA-N 339.410 3.068 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(-c2nc(=N)[nH][nH]2)c(F)c1 587916642 PZKZMTSGHBOXDZ-UHFFFAOYSA-N 342.761 3.085 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)CS(=O)(=O)N2 587918875 MAZKHGSZRSJSTO-UHFFFAOYSA-N 333.796 3.004 30 1 EGEF CN1CC[C@]2(c3cccc(O)c3)CC(=O)/C(=C/c3cccc(O)c3)[C@H]1C2 169308770 RJJAAHSNJCZQSF-UKWFNHDFSA-N 349.430 3.486 30 1 EGEF CC1=C2[C@@H](O)[C@@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O 169339825 VZTKKBZCBOZPNT-YSCXQKKWSA-N 333.472 3.017 30 1 EGEF C#Cc1cccc(N=c2c(C#N)c[nH]c3cc(OC)c(OC)cc23)c1 1857542759 ILBOKEFXMPHJKP-UHFFFAOYSA-N 329.359 3.270 30 1 EGEF N#Cc1ccc2nc(CO[C@H]3CN(C4CCCCC4)C[C@@H]3F)[nH]c2c1 2356302439 VLRVNSGZEHQTOX-YJBOKZPZSA-N 342.418 3.306 30 1 EGEF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@](C)(O)[C@]13C 2356509101 CBOLYDOXFPZAIY-LYGKUDJVSA-N 346.423 3.383 30 1 EGEF C=C[C@](C)(O)C[C@H](O)C=C(C)CCC=C(C)CC[C@H](O)C(C)(C)O 2356599560 DUKIIUKDKITKSX-HBFSDRIKSA-N 340.504 3.259 30 1 EGEF COc1cc(C[C@@H](O)/C=C/C(=O)CCc2ccccc2)ccc1O 70455132 ZJLYJIBMHZUJKB-ZGKFYVQTSA-N 326.392 3.062 30 1 EGEF biogenic,in-vitro COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](OC)C3)cc2)cc1 96927978 QAVVOFASNQWWDE-OAQYLSRUSA-N 349.430 3.346 30 1 EGEF O=S(=O)(O)c1cc(O)c(/N=C/c2cccc(O)c2)c2ccccc12 98083298 GYCLWQFLEPHENJ-VCHYOVAHSA-N 343.360 3.248 30 1 EGEF C=CCc1cccc2nc(C[C@H]3SC(=O)N(CC=C)C3=O)[nH]c12 587039199 QZFJMTGCSZHCAI-CYBMUJFWSA-N 327.409 3.084 30 1 EGEF O=C(/C=C/c1ccc(CNCCCc2c[nH]c3ccccc23)cc1)NO 13528178 GUGBOAVFOFNJFG-VAWYXSNFSA-N 349.434 3.409 30 1 EGEF C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2cnc(C#N)c(Cl)c2)c1O 169727157 DGBFEZVHSXRNHT-HOTGVXAUSA-N 331.759 3.063 30 1 EGEF C#Cc1ccc(NC(=O)Nc2cccc3c2[C@@H]2CCCCN2C3=O)nc1 1857547315 YMKLYPOHJFYJBU-INIZCTEOSA-N 346.390 3.388 30 1 EGEF O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncccn2)cc1 103251628 OXSICLGZGMRVMF-KZNAEPCWSA-N 331.375 3.146 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)C)CC(C)=CCC[C@@]1(C)O[C@H]21 2356386670 RNMWXCRWDPPZDF-DRWJQLDWSA-N 346.423 3.250 30 1 EGEF CN(C)c1ccc(C#Cc2ncnc(N)c2Cc2ccccc2)cc1 28646459 CJHFCPPVOVXGDE-UHFFFAOYSA-N 328.419 3.115 30 1 EGEF N=C(N)N/N=C(/C=C/c1ccc(Br)cc1)c1ccccc1 64549830 ZRSNGUPOHVQLED-OWBXZZSYSA-N 343.228 3.350 30 1 EGEF C=CCO[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600168 MNFFLOCDQWXALM-HLIPFELVSA-N 338.359 3.458 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(cc1C)NC(=O)C2=O 587907265 IQWBIRXYFGXWHD-UHFFFAOYSA-N 325.751 3.192 30 1 EGEF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356549173 UFSKYLAIGDMNQE-DTGNRIQCSA-N 344.451 3.197 30 1 EGEF O=C(NO)c1csc(-c2ccc(OC(F)(F)F)c(Cl)c2)n1 87613066 AGCLVHIBGCGACE-UHFFFAOYSA-N 338.694 3.481 30 1 EGEF C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O 238750052 KNYGXNFGZONVKK-HKHBUPFLSA-N 345.527 3.214 30 1 EGEF Cc1csc([C@@H]2[C@@H](O)C(=O)C=CN2C(=O)Oc2ccccc2)c1 96938196 DPQHFUPNVAKTCU-CVEARBPZSA-N 329.377 3.056 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(CC(=O)O)cc(OC)c1O 587900684 SUAQFCGXYWEWQO-UHFFFAOYSA-N 346.766 3.090 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1C[C@H](C#N)CO 587901910 ZRMRXEQWBYZHFY-CQSZACIVSA-N 325.795 3.423 30 1 EGEF C#CCCOC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587793515 NJXOHUWBWFRFHA-ZWNOBZJWSA-N 326.209 3.203 30 1 EGEF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=CC2=CC(=O)C[C@H](C)[C@]21C 14497708 MLPADAGLUVTHDI-CLPURSTRSA-N 342.391 3.177 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 158278203 DWNHGPRUSBRDRF-NEJNBNAFSA-N 346.423 3.250 30 1 EGEF COCCNc1nc(Nc2ccc(C#N)cc2)c2sccc2n1 61927327 ZYYARGICHYSHQW-UHFFFAOYSA-N 325.397 3.365 30 3 EGEF O=C(O)c1cccc(COc2cccc(CCS)c2C(=O)O)c1 34280075 WNGSUDAZCMZXMR-UHFFFAOYSA-N 332.377 3.134 30 1 EGEF O=C1C=CC(=C2NN=C(Nc3cccc(O)c3)c3ccccc32)C=C1 13125671 MQFDKHZEEGOECV-UHFFFAOYSA-N 329.359 3.175 30 3 EGEF N#Cc1ccc(NC(=Nc2ccc3ccccc3c2)NCC(=O)O)cc1 1638084 FRSPBOBJXMHBDQ-UHFFFAOYSA-N 344.374 3.485 30 1 EGEF COC(=O)[C@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@H]1C 29571221 CTZZWWNXWHPDSK-YMTOWFKASA-N 327.302 3.399 30 1 EGEF C/C(=N\NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccnc1 38823527 MOOVNTDJBILTCO-CIAFOILYSA-N 328.485 3.239 30 1 EGEF CC(=O)/C(C)=C\OC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 33830597 SKWHTELMVBBPHJ-MQNTZWLQSA-N 328.364 3.385 30 1 EGEF biogenic,in-vitro O=C(NO)c1cnc(NC2(c3ccc(Cl)c(Cl)c3)CC2)nc1 146013690 UAZZDNGPGMACMG-UHFFFAOYSA-N 339.182 3.004 30 1 EGEF COc1ccc(C(=O)Cc2cc(O)c3c(c2)OCC(C)=CC3=O)cc1 96929681 AADYUTNWVZZMPC-UHFFFAOYSA-N 338.359 3.348 30 1 EGEF CN(C)/C=C1/C(=O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587513444 SMSWZMUZUATXSK-VMTBQTDASA-N 325.408 3.078 30 1 EGEF CC/C=C\C[C@H](O)[C@H](O)/C=C/C(=O)CCCCCCCC(=O)O 169622033 PLHUEKVESBJIRC-IIRQLPHCSA-N 326.433 3.005 30 1 EGEF C#CC(C)(C)NC(=O)c1sc(C)nc1-c1ccc(OC)c(OC)c1 103169072 AGNCGMPRFSAYCN-UHFFFAOYSA-N 344.436 3.277 30 1 EGEF COc1ccc(/C=C\C(=O)c2c(O)cc(OC)c(OC)c2OC)cc1 31749932 FRISOFZUHCOQEC-YFHOEESVSA-N 344.363 3.323 30 1 EGEF C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)C[C@H]12 40394868 HZAPTPBMBOIGCM-SFQXUBQZSA-N 334.456 3.443 30 1 EGEF C[C@H](CCC(=O)O)Cc1nc2cc(C#N)cc(Br)c2[nH]1 587961024 OWOURKDKONHVCV-MRVPVSSYSA-N 336.189 3.240 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@H](C(=O)O)CO2 587909047 OHEGELKOYWEFQN-OAHLLOKOSA-N 328.751 3.309 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1CC(=O)N(C)C 587901856 WZIIGQXOXPWOBP-UHFFFAOYSA-N 327.811 3.379 30 1 EGEF O=C(N[C@]12CCC[C@](C#Cc3ccccn3)(CC1)C2)c1ncccc1F 204975977 JXOUJFNSMCRWCE-LEWJYISDSA-N 349.409 3.490 30 1 EGEF Cn1cc(-c2ccc(C#CC(C)(C)CC(=O)O)cc2)c2c(N)ncnc21 1857638460 GQVHBHCZVQVLPO-UHFFFAOYSA-N 348.406 3.070 30 1 EGEF O/N=C(/c1cnn(-c2ccc(F)c(F)c2)c1)c1cc(F)ccc1O 58581021 ZTURPHJSIQXNFE-PGMHBOJBSA-N 333.269 3.222 30 1 EGEF OC[C@@H](O)C#CC#CCCCCCCCCC=CBr 2356741231 WPDBFRMBTCLQRW-INIZCTEOSA-N 327.262 3.376 30 1 EGEF COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(N)n2)cc1OC 35342888 BSZLZWCFWCRNPY-UHFFFAOYSA-N 334.379 3.225 30 1 EGEF COc1cccc(Oc2ccc(/C(=N/O)n3nc(C)cc3C)cn2)c1 72185114 XTNSCPWTTUBJFS-UZYVYHOESA-N 338.367 3.380 30 1 EGEF C=C(C)[C@H]1C[C@H](OC(=O)CC(C)C)[C@]2(C1)C(C)=CC(=O)[C@@H](O)[C@@H]2C 238782593 JWNHKPFBTAUOPJ-NHQOTNMQSA-N 334.456 3.443 30 1 EGEF Cc1csc([C@H]2NC=CC(=O)[C@@H]2OC(=O)N(C)c2ccccc2)c1 96938205 MYWFXEOAAAWVJX-SJORKVTESA-N 342.420 3.425 30 1 EGEF Cc1c(/N=N\C2=C(O)CCCC2=O)c(=O)n(-c2ccccc2)n1C 17595900 YNUZUYPGBODBTD-HNENSFHCSA-N 326.356 3.091 30 1 EGEF Cc1nn(C(=O)[C@@H](C#N)/N=N/c2ccccc2[N+](=O)[O-])c(C)c1C 169691244 CPAZKNWUSPJTGB-OYLHUBKDSA-N 326.316 3.033 30 1 EGEF CC(C)C1=CC2=C(C(=O)C1=O)[C@]13CCCC(C)(C)[C@H]1C[C@H]2OC3=O 1859054 MWAYCDXOVYWQPR-JZKQVHKSSA-N 328.408 3.159 30 1 EGEF C=C[C@@H]1C(C)(C)C(=O)[C@H]2C[C@@]1(C)[C@@H]1[C@@H]3OC(=O)C(=CC)[C@@H]3O[C@@]21C 2356434586 WYOPVCJAKMHFLL-JHSPPEPISA-N 330.424 3.069 30 1 EGEF Cc1ccc2nc3n(c2c1)[C@H](CNCc1ccc(C#N)cc1)COC3 2356298989 OLEVFKGJLIHGBN-QGZVFWFLSA-N 332.407 3.078 30 1 EGEF CNC(=O)/C(=N/OC)c1ccccc1COc1cccc(Cl)c1 103180611 OJOAUYNODLSHSR-CAPFRKAQSA-N 332.787 3.016 30 1 EGEF C=C(C(=O)CC=C(C)C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)C(C)=CC 2356619864 WPLOBQQVZLAOAQ-VERUCKTNSA-N 346.423 3.093 30 1 EGEF CCCCCCCCCCc1cc2cn(COCCO)c(=O)nc2[nH]1 43990388 CMRUGLMFMCWEHD-UHFFFAOYSA-N 349.475 3.374 30 1 EGEF N#Cc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1C#N 587126732 NGGYJUIDHLFDFL-UHFFFAOYSA-N 334.301 3.246 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C#N)cnn1-c1ccccn1 587911834 SYPCGHCPBZNRTE-UHFFFAOYSA-N 334.766 3.201 30 1 EGEF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(C#N)cc3[nH]2)C(F)(F)C1 587132452 QMRHNHIPFRVISZ-LLVKDONJSA-N 348.353 3.404 30 1 EGEF Nc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccccc1 3595295 WDHJLIWOZVPJAM-HAVVHWLPSA-N 329.363 3.205 30 1 EGEF COc1cc(C[C@H](O)C=CC(=O)CCc2ccccc2)ccc1O 2356429556 ZJLYJIBMHZUJKB-GOSISDBHSA-N 326.392 3.062 30 1 EGEF C=C[C@]1(CC)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963133747 CDFFPBGKQKXZOE-ZBEGNZNMSA-N 338.429 3.181 30 1 EGEF C#CCN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccc(O)cc2)C1 27843948 WDWSIDDLZLFVFV-MRXNPFEDSA-N 343.810 3.080 30 1 EGEF C[C@@H](O)CC#C[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21 299819072 BEIGSKZKRNOYJY-AMIZOPFISA-N 333.693 3.434 30 1 EGEF N#Cc1c(-c2ccccc2C(=O)O)cc(-c2ccccc2O)nc1N 13488161 MZVQMTZMGPEKGY-UHFFFAOYSA-N 331.331 3.273 30 1 EGEF CC1=C2[C@H](O)[C@@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O 169339828 VZTKKBZCBOZPNT-XAMZUMDUSA-N 333.472 3.017 30 1 EGEF COc1ccc([C@H](/C(O)=N/C2CCCCC2)N2CCOCC2)cc1 20108398 ZFGBCLJCHPCXJL-GOSISDBHSA-N 332.444 3.358 30 1 EGEF CC(=CCOc1ccc2ccc(=O)oc2c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biogenic,in-man COc1cc(C(=O)/C(C)=C/c2ccc(OC)c(O)c2)cc(OC)n1 1857553046 NMEWDYZGLOQSSH-YRNVUSSQSA-N 329.352 3.099 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@@](C)(C[C@@H](OCC(C)=CC)[C@@H]12)O3 2356508428 WZSKOSACJPMXOP-XXLDGNOXSA-N 346.423 3.107 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(\C)C[C@H](OC(=O)C=C(C)C)[C@@H]12 238771995 RNMWXCRWDPPZDF-BRKVALLJSA-N 346.423 3.250 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(Br)[n+]1[O-] 587912738 XOGYNYBYMOHSAO-UHFFFAOYSA-N 338.588 3.144 30 1 EGEF COc1cc2c3c(c1)O[C@H](c1cc(F)c(C#N)c(F)c1)[C@@H](C2)C3=O 587423971 MHJBPALBBOOFLL-BBATYDOGSA-N 327.286 3.334 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CC(=O)O)c([N+](=O)[O-])c1 587904001 YLJBAJGGPXEMIZ-UHFFFAOYSA-N 345.738 3.284 30 1 EGEF CC#CC[C@@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963183036 IKPZCVTWYMFBOY-WDEREUQCSA-N 331.721 3.412 30 1 EGEF CC(=O)[C@@H]1CC[C@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@@H]2C1 169303822 CWLAYYXVQIWWAE-MROQNXINSA-N 342.391 3.134 30 1 EGEF CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)CC#N)cc2)cc1 169706239 PZWLHEXDMDHJGC-KRWDZBQOSA-N 346.430 3.446 30 1 EGEF Cc1nc(C(=O)NCc2cccnc2)c(-c2ccc(C#N)cc2)s1 1857560019 FROUCWIDIIBLTP-UHFFFAOYSA-N 334.404 3.315 30 1 EGEF CCCOc1cc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)ccn1 113410512 BMYVDHHWZQELHB-INIZCTEOSA-N 336.435 3.337 30 1 EGEF CN(C)/N=C/c1ccc(C2=C(Cl)C(=O)c3ccccc3C2=O)o1 29123422 ULTOXHCLLHRPSY-DJKKODMXSA-N 328.755 3.204 30 1 EGEF C=C[C@]1(C)CC2=CC[C@@H]3[C@](C)(C(=O)O)C[C@H](O)C[C@]3(C)[C@H]2C[C@H]1O 2356677048 FADJIPYNWIKCST-JXNMKVQOSA-N 334.456 3.148 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)[C@@H](OC(=O)C(C)=CC)C[C@H]12 2356691435 JMTACQPPCMADFS-XWTMOSNGSA-N 346.423 3.010 30 1 EGEF CCOC(=O)[C@]1(O)C[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)O1 49803570 MYWNHTJAAOYSEQ-VLIAUNLRSA-N 344.407 3.085 30 1 EGEF COc1ccc(Cn2cc(C#N)c(=O)c3c(F)ccc(F)c32)cc1 96906436 RAFLYILMXTZDGN-UHFFFAOYSA-N 326.302 3.208 30 1 EGEF Cc1ccc(C(=O)NC[C@@H](C)/N=C/c2cc(Cl)ccc2O)c(O)c1 49112926 LKYWQUMVZFQYPD-HMASQMOLSA-N 346.814 3.297 30 1 EGEF N#CCn1c(=O)n(-c2ccc(C#N)c(C(F)(F)F)c2)c2ccccc21 84603201 OAOOZOMRJWBPTO-UHFFFAOYSA-N 342.280 3.206 30 1 EGEF CC(C)(C)OC(=O)N[C@H](C(=O)NO)c1ccc(-c2ccsc2)cc1 653807477 FAOIWJQOUSNGGG-AWEZNQCLSA-N 348.424 3.486 30 1 EGEF CN(C)/C=C1\C(=O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587513449 SMSWZMUZUATXSK-ZRNYNZGJSA-N 325.408 3.078 30 1 EGEF COCC(=O)Nc1ccccc1C#Cc1cc(Cl)ccc1OC 587902975 TVXQVJDKJHZNTC-UHFFFAOYSA-N 329.783 3.333 30 1 EGEF C[C@H](C(=O)c1coc2cc(C#N)ccc12)N1C(=O)c2ccccc2C1=O 587279504 WYJMWGWDVQRJIG-LLVKDONJSA-N 344.326 3.172 30 1 EGEF COc1ccccc1/C=C/C=N\[C@@H]1C(=O)N(c2ccccc2)[N+](C)=C1C 18154810 HCRFYBMVNBFTDG-QOIAANJUSA-N 348.426 3.213 30 3 EGEF O=[N+]([O-])c1ccc(CN2CCC(=NOCc3ccccc3)CC2)o1 1857756129 VLEDTVBELFHYLS-UHFFFAOYSA-N 329.356 3.356 30 1 EGEF C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)[C@H](C#N)C[C@]5(C)[C@H]3CC[C@@]21C 118920076 JARKEVRMNQUONS-LPKXWGFCSA-N 343.467 3.230 30 1 EGEF CCCCNc1ncc(C(=O)N2CCCC2)c(-c2ccc(C#N)cc2)n1 82154771 OEWGGJAEWSNPIA-UHFFFAOYSA-N 349.438 3.463 30 1 EGEF Cc1c(C#N)c2nc3nonc3nc2n1-c1cccc(C(F)(F)F)c1 82053390 RDDFQETXHQTLGO-UHFFFAOYSA-N 344.256 3.156 30 1 EGEF C=CCn1c(=O)c(N/N=C/c2ccc(N(C)C)cc2)nc2ccccc21 96933304 OJXJZJJCLBROGQ-KGENOOAVSA-N 347.422 3.095 30 1 EGEF N#Cc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 586983554 CZPWAWSRWUIDQB-ZDUSSCGKSA-N 341.212 3.440 30 1 EGEF Cc1cc(C#Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)ccc1[N+](=O)[O-] 587261395 ANJJUGXXDXYWPV-UHFFFAOYSA-N 336.307 3.396 30 1 EGEF Cc1cc(C#Cc2nc3cc(Cl)nc(C#N)c3[nH]2)ccc1[N+](=O)[O-] 587261822 IQZPUBREOLGNMB-UHFFFAOYSA-N 337.726 3.099 30 1 EGEF Cc1nc(N(C)C)ncc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587194319 CRCKTWVPMLOLBL-UHFFFAOYSA-N 346.316 3.285 30 1 EGEF O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(F)cc1 1636767 QGZPWPPPKVFWGG-UHFFFAOYSA-N 329.714 3.085 30 1 EGEF C#CC(C)(C)Nc1c(C#N)cnc2cnc(NCc3cccnc3)cc12 28827311 WWVWPXWRUWQTCN-UHFFFAOYSA-N 342.406 3.332 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)CC(C)C)[C@@H]12 238736784 HKCAIZMMUQCFMI-TWCAGRJXSA-N 348.439 3.089 30 1 EGEF CC(C)[C@]1(CB2OC(C)(C)C(C)(C)O2)NCCc2ccc(O)cc21 963352474 LHPPOVFPIRTXPK-IBGZPJMESA-N 331.265 3.481 30 1 EGEF CC(=O)C1=CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 5159415 UYGZZVKOVWATFR-GGLFOPPFSA-N 326.436 3.390 30 1 EGEF biogenic C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3[C@H](OC)C[C@@]21C 5764589 MTMZZIPTQITGCY-QHOCJJNXSA-N 326.436 3.238 30 1 EGEF N#Cc1cc2cnc(NCc3ccccc3)nc2n(C2CCCC2)c1=O 103271563 KYDHZCWBKIXNLV-UHFFFAOYSA-N 345.406 3.390 30 1 EGEF CO[C@@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2 28563966 WUMIJQZPHGJALC-QFIPXVFZSA-N 347.458 3.037 30 1 EGEF CC1=C(CO)CC[C@@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c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c1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 299862967 OEDWPXPAOXLGQV-UNOMPAQXSA-N 339.391 3.339 30 1 EGEF C=CCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587581822 NEQAFAGJNJPFIP-FXAWDEMLSA-N 348.358 3.478 30 1 EGEF N#Cc1ncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)s1 587022334 XBIGXENUYPTEMD-UHFFFAOYSA-N 340.593 3.369 30 1 EGEF N#Cc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1N 587249168 KAFCVPPYTNBJKR-UHFFFAOYSA-N 348.591 3.495 30 1 EGEF COc1cc2c3c(c1)O[C@@](C=O)(c1ccc(SC)cc1)[C@@H](C2)C3=O 587453869 UZJDXWCTTYXIBR-KXBFYZLASA-N 340.400 3.259 30 1 EGEF C[C@@H](O)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356416353 QQBDYFZYYLDLJW-VSBFDECRSA-N 332.484 3.486 30 1 EGEF Cc1ccc(-c2cnnc(N3CC[C@H](c4cccc(C#N)c4)C3)n2)o1 103227015 JNWRTVZWGHBDDI-INIZCTEOSA-N 331.379 3.306 30 1 EGEF C=C1[C@@H](C=CC2=CC(=O)O[C@H]2O)[C@@]2(C)CCCC(C)(C)[C@H]2C[C@H]1O 2356737795 GHNHHZAECXQMOM-RSCNAKIRSA-N 332.440 3.114 30 1 EGEF C=CCn1c(NCC)nc2c(c1=O)C(C)(C)Cc1ccc(OC)cc1-2 95604487 SBPYBUKCNWFXCZ-UHFFFAOYSA-N 339.439 3.370 30 1 EGEF N#C[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 95896078 FSTZDOIQITWSOS-VAMGGRTRSA-N 336.435 3.233 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c(C)ccc2c1C(=O)C(=O)N2 587911138 KGNKQABQSODYGV-UHFFFAOYSA-N 325.751 3.192 30 1 EGEF CCOc1ncc(C#Cc2cc(Cl)ccc2OC)c(OCC)n1 587903674 WUIIDDUNKUPAPW-UHFFFAOYSA-N 332.787 3.336 30 1 EGEF C#CCC1(c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CCCCC1 586878448 HLRVOSVMHHEMGR-UHFFFAOYSA-N 345.468 3.038 30 1 EGEF CC1=CC(=O)C=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587823993 SVJOVHHXWKWVFC-QFYYESIMSA-N 336.204 3.403 30 1 EGEF COc1ccc(Cl)c2c1CCN[C@H]2c1ccccc1OCC#N 963256784 FKNPYUSANNTRHM-SFHVURJKSA-N 328.799 3.486 30 1 EGEF N#Cc1c(-c2cccc(C(=O)O)c2)cc(-c2ccccc2O)nc1N 13488162 CRWFGLSXLKOHRG-UHFFFAOYSA-N 331.331 3.273 30 1 EGEF CC1(C)Oc2c(C(=O)/C=C/c3ccc(O)cc3)ccc(O)c2C[C@H]1O 15216731 UGEVDAKDRYGXKU-QKYXPGDISA-N 340.375 3.068 30 1 EGEF CCCCCCCCN1C=N[C@@H]2C(=O)NC(Cc3ccccc3)=N[C@H]21 1857577537 ARZUNTANKQVOPO-OALUTQOASA-N 340.471 3.157 30 1 EGEF C/C(=C\COc1ccc2ccc(=O)oc2c1)C1=COC(C)(C)C1=O 26938561 VENSOEGIAWISLF-XYOKQWHBSA-N 326.348 3.380 30 1 EGEF N#Cc1cn([C@H]2CCOC2)c2ccc(-c3cc(C(=O)O)ccn3)cc12 116761321 RRZMCCWXSQIWQH-HNNXBMFYSA-N 333.347 3.235 30 1 EGEF Cc1cccc2oc(=O)c3c(c12)OC(C)(C)[C@@H]1CC[C@]2(C)O[C@H]2[C@]31O 2356636921 ZSDCIXREXUHWAF-PBDPQADMSA-N 342.391 3.028 30 1 EGEF CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 253697555 AXKPRXFZRFZHFB-JEEBJRHZSA-N 339.479 3.273 30 1 EGEF N#Cc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1C(F)(F)F 586960622 WWURLPHPINRFAF-QFIPXVFZSA-N 327.331 3.112 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(-n2cc(CN)cn2)cc1 587907283 IVOADCXTSZZGIR-UHFFFAOYSA-N 337.810 3.393 30 1 EGEF CC1(C)[C@@H](C[C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)[C@H]1CC#N 962915174 UJIMFIKRBZCUIT-QUHUKJRKSA-N 330.403 3.216 30 1 EGEF C=C1[C@H](O)CC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@@H]3O)[C@H](C)CC[C@@]12C 238742264 QLIQMMRUUKMPEX-ARRGTGQISA-N 334.456 3.338 30 1 EGEF C=C1C(=O)OC[C@H]1CCOC(=O)Nc1cccc(Br)c1 299868961 SVHBYYYYWSNSKE-SNVBAGLBSA-N 340.173 3.117 30 1 EGEF CSc1ccc([C@@]2(C=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587408774 DIOZDIVOBRPKRM-SFHVURJKSA-N 327.405 3.359 30 1 EGEF N#CCCn1nnc(-c2ccc(OCc3ccccc3Cl)cc2)n1 13744438 VRWFYOZFVAUHDG-UHFFFAOYSA-N 339.786 3.486 30 1 EGEF C=C1CCC=C(C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@@H]1O2 253677911 HNHDPFYELJZTEZ-AISVETHESA-N 332.440 3.459 30 1 EGEF O=C(O)C1=C(Nc2cccc(Cl)c2)C(=O)c2ccccc2C1=O 102987579 BVDOGTVTSYIFOD-UHFFFAOYSA-N 327.723 3.170 30 1 EGEF COC(=O)CSCCCCCCOC1=C(C)C(=O)S[C@H]1C 28334407 RYJAKUPPMFEQKA-LBPRGKRZSA-N 332.487 3.406 30 1 EGEF C=CCNC(=S)Nc1ccc(-c2n[nH]c(=S)n2CC=C)cc1 29409900 BJLMNVZFEXTEAW-UHFFFAOYSA-N 331.470 3.266 30 1 EGEF C[C@H](NC(=O)C1CC1)c1ccc(C#Cc2cnc(NC3CC3)nc2)cc1 113414233 LKZQMTNZTGZWFN-AWEZNQCLSA-N 346.434 3.038 30 1 EGEF C=C1C2=CC(=O)[C@H](C)[C@@]1(C)CC[C@]1(C)O[C@@H]1CC[C@@]1(C)O[C@H]1C2=O 2356400195 SSFZHIUXTRJVFK-UMQMGPGOSA-N 330.424 3.152 30 1 EGEF C=CC(C)(C)[C@]1(OC)C(=O)Oc2cc3occc3c(OC)c2C1=O 15120953 GJIFITGETLKYQN-GOSISDBHSA-N 330.336 3.141 30 1 EGEF biogenic CC(C)C1=C(O)C(=O)C2=C[C@]34CCC[C@](C)(CO3)[C@@H]4CC=C2C1=O 85693998 NFFVGGLUWSQBPP-KPOBHBOGSA-N 328.408 3.438 30 1 EGEF CCN(CC)CCSc1nc(O)c(C#N)c(-c2ccccc2)n1 96910390 HYHKEFDLPHDOTI-UHFFFAOYSA-N 328.441 3.155 30 1 EGEF C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(OC(C)=O)[C@H]1C[C@H]3O 238763745 YHGKYRGXTZRNMD-YWUYUPJPSA-N 346.467 3.421 30 1 EGEF C=CCc1cccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 586947884 HVAOAVPBPWKBEA-UHFFFAOYSA-N 343.408 3.036 30 1 EGEF O=C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601478 GLLSBZQHAMFARU-GHTZIAJQSA-N 346.338 3.448 30 1 EGEF C[C@](O)(c1cccc(F)c1)c1ccnc(Nc2ccc(C#N)cc2)n1 169310972 YOWNDUAYPNBXFX-IBGZPJMESA-N 334.354 3.487 30 1 EGEF CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@]2(C)CC1=O)OC[C@@H]4C 169541118 NXLIYONYOZFXDF-FFVOIRBGSA-N 340.375 3.283 30 1 EGEF CC1(C)C[C@@H](C(=O)Nc2c(Cl)cccc2Cl)C(=O)[C@H]2O[C@@H]21 100876141 RNPZBNBGFWAMBA-BLBGDKDGSA-N 328.195 3.315 30 1 EGEF C[C@H](O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118928944 FIPSPZIBNVOPQH-HVWRTUJTSA-N 332.484 3.486 30 1 EGEF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2CC=O)cc1 28950945 IWAVQFPSVHLEGJ-AWEZNQCLSA-N 341.363 3.008 30 1 EGEF C=CCN1CC[C@@]23CC(=O)C[C@H](C)[C@H]2[C@@H]1Cc1ccc(OC)cc13 29478160 VFXSXBAGAAWZPC-CXTHYWKRSA-N 325.452 3.365 30 1 EGEF C=C(C)[C@H](C[C@](C)(O)C1CCC(COC(C)=O)CC1)OC(C)=O 2356540110 MMUHWJFYDCOUMO-FOIPXRHGSA-N 326.433 3.005 30 1 EGEF CC1=CC(=O)[C@H]2[C@H]3[C@H]1[C@@]2(C)[C@H](OC(=O)CC(C)C)C[C@H](O)C3(C)C 2356597689 RDXOGOHCELXCJV-UTENSGDISA-N 334.456 3.133 30 1 EGEF COc1ccc(CCNC(C)=C2C(=O)C[C@H]3[C@H]2C3(C)C)cc1OC 2356605193 XIURQJMAEMJWEL-IFXJQAMLSA-N 329.440 3.355 30 1 EGEF C=C(C(=O)CC=C(C)C)[C@@H]1C[C@@H]2O[C@@]2(C)C(=O)[C@@H]1OC(=O)C(C)=CC 2356619863 WPLOBQQVZLAOAQ-UJAMICLKSA-N 346.423 3.093 30 1 EGEF N#Cc1cnn(-c2ncnc3sc4c(c23)-c2ccccc2CC4)c1N 40829621 RASHGUWASGANHW-UHFFFAOYSA-N 344.403 3.096 30 1 EGEF O=C1C=C[C@@]2(C=C1Cl)OC[C@@H](c1ccc(Br)cc1)O2 96916782 PVIYZFTVSXTWBB-UONOGXRCSA-N 341.588 3.495 30 1 EGEF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC#N 587388001 YRBMVFYWBUYBLW-QGZVFWFLSA-N 338.363 3.195 30 1 EGEF CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](CO)[C@H]1C(C)(C)CCC[C@]21C 1772619275 LJSRRJZPVHVHSK-CKBSFLJSSA-N 332.440 3.358 30 1 EGEF Cc1cccc2oc(-c3ccccc3Cl)c/c(=N\N=C(N)N)c12 13474680 SLMLGWYXQGJZCI-FYJGNVAPSA-N 326.787 3.151 30 1 EGEF CC1=C2[C@H](O)C(=O)O[C@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C 3978313 XQOSNJUURCKQGN-YDMSWWHLSA-N 344.451 3.197 30 3 EGEF in-vitro COc1cc(/C(=N\O)c2ccc3c(ccn3C)c2)cc(OC)c1OC 101664844 VMIPKDPPBRDGPN-ZZEZOPTASA-N 340.379 3.431 30 1 EGEF C=CCNC(=O)[C@]12C[C@@]1(CCCC)c1cc(Cl)ccc1NC2=O 34821545 NAJDLTVBVFOJIO-ROUUACIJSA-N 332.831 3.412 30 1 EGEF O[C@@H](CO/N=C(\Cl)c1cc2ccccc2o1)CN1CCCCC1 42921046 VHOKVPZBQVXZGP-RMYFCYLKSA-N 336.819 3.197 30 1 EGEF N#Cc1ccc(NC(=S)N/N=C/c2ccc3ccccc3n2)cc1 49088227 PDJMBPCEQQAUBT-UDWIEESQSA-N 331.404 3.427 30 1 EGEF COc1ccc(Cl)cc1C#CCc1ccccc1S(C)(=O)=O 587917657 PQUXEBDMVNTCKY-UHFFFAOYSA-N 334.824 3.346 30 1 EGEF COc1ccncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587889231 WVJBSDHYTQGWJP-UHFFFAOYSA-N 349.217 3.107 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=CC=CC2=O)N1 587816773 DBKJJGAUWDSYCY-HWPZZCPQSA-N 336.204 3.403 30 1 EGEF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C#N)cc1 587649829 CHMJOBHLFVFIAW-UHFFFAOYSA-N 326.377 3.119 30 1 EGEF Cc1cc([N+](=O)[O-])nn1CCCC(=O)c1coc2cc(C#N)ccc12 587279280 QKKCLZYEOWCVNM-UHFFFAOYSA-N 338.323 3.381 30 1 EGEF CC(=O)CSc1nc(-n2nc(C)cc2C)c2c(c1C#N)CCCC2 66077893 LLKYZIZJWKBHAY-UHFFFAOYSA-N 340.452 3.316 30 1 EGEF CC[C@H](C)C(=O)O[C@]12O[C@@H]1C[C@]1(C)Cc3occ(C)c3C[C@@H]1[C@]2(C)O 2356615685 LKGZPVLMOLNTBC-ZIYHSZLOSA-N 348.439 3.148 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(/C)CC/C=C(/C)[C@H]2O 195359164 IAWHPIHHKZYGDC-KPYLQMLYSA-N 332.440 3.221 30 1 EGEF CCc1ncnc(-c2ccc(C3CC3)nc2)c1C#Cc1ccc(N)nc1 148874070 GWLNOONDQYCGGB-UHFFFAOYSA-N 341.418 3.355 30 1 EGEF C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@H]2C[C@@H]2/C=C(\C)C(=O)OC)CC1=O 238732765 UZMCMZCHUMYZFH-RHYNCZNSSA-N 344.407 3.075 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([C@H](CN)N(C)C)cc1 587906230 VPFOSNVQGJZPGI-SFHVURJKSA-N 328.843 3.310 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)cc2c(=O)oc(O)nc12 587916195 FJOWQSCLKFUWAC-UHFFFAOYSA-N 345.713 3.095 30 1 EGEF CC(=O)N[C@@H](Cc1nc2cc(C#N)c(C#N)cc2[nH]1)c1ccc(C)cc1 587217487 WWJYFSCPBZVVAN-KRWDZBQOSA-N 343.390 3.035 30 1 EGEF CCCOc1cccc(N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)c1 26478818 RSSFVZVVQGIJNH-UHFFFAOYSA-N 348.424 3.499 30 1 EGEF C=C(C)[C@@H]1C[C@]2(C)[C@H](C)[C@H](OC(=O)C(C)=CC)CC[C@H]2[C@H](O)C1=O 2356511815 OYZPDCNJODPOBW-NWMLABBBSA-N 334.456 3.443 30 1 EGEF O=C(O)[C@H](Cc1ccccc1)CN(O)C(=O)CCCc1ccccc1 27760119 DNISLJYZWJVIBT-GOSISDBHSA-N 341.407 3.171 30 1 EGEF NC(=O)N(O)[C@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)C1CC1 29566833 RMEKGQUNQXSZHW-OAHLLOKOSA-N 330.315 3.111 30 1 EGEF O=S(=O)(/N=C(\O)Nc1ccc(F)cc1)c1ccc2c(c1)CCC2 26472639 FWZHTLLBNWQOCC-UHFFFAOYSA-N 334.372 3.029 30 1 EGEF COC[C@@H](C)N/C(=N\O)c1ccc(C)nc1OCc1ccccc1C 72183754 LUSRTFLVNXWZRR-OAHLLOKOSA-N 343.427 3.038 30 1 EGEF CCOC(=O)c1nn(C)c(-c2cccc(Cl)c2)c1C#CC(C)(C)O 84618856 NOVVNPHBHAOMBW-UHFFFAOYSA-N 346.814 3.040 30 1 EGEF N#C[C@H]1[C@@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)C1CCC1 95668020 TUPKURYWMXMENJ-SLFFLAALSA-N 336.435 3.233 30 1 EGEF N#C[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1 95896073 FSTZDOIQITWSOS-UFYCRDLUSA-N 336.435 3.233 30 1 EGEF CN[C@@H](C)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12CO 255212994 GNHGBSZVNIWLJP-WFYCFNDHSA-N 343.511 3.491 30 1 EGEF COc1cccc(-c2cnc3c(NN=Cc4ccncc4)[nH]cnc2-3)c1 299813903 JTFCRIATVUVEIW-UHFFFAOYSA-N 344.378 3.426 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(-c2cnnc(=N)[nH]2)cc1 587906548 KHDSBHFQJIBOCU-UHFFFAOYSA-N 336.782 3.013 30 1 EGEF C[C@@H]1C[C@H](O)[C@]2(C)[C@H](C=O)[C@H](O)CC[C@@H]2[C@@]1(C)CCc1ccoc1 2356410640 QISIBMBISMJJDX-VCLCVJRRSA-N 334.456 3.212 30 1 EGEF Cc1nn(-c2ccc(F)cc2)c(O)c1/C=N/c1ccccc1C(=O)O 104695686 RTXJAJOLEQTTQH-KEBDBYFISA-N 339.326 3.474 30 1 EGEF C=C1C[C@@H](CC(C)=CCOc2ccc3ccc(=O)oc3c2)OC1=O 2356605384 DSQRNJDVDUJXJO-MRXNPFEDSA-N 326.348 3.380 30 1 EGEF C=C1C[C@@H]2O[C@@H]2[C@](C)(O)CC[C@@H]2C3=C[C@H](C=C(C)C)O[C@H]3OC[C@@H]12 2356802523 SITAZKMSUFRJRQ-PGLLACHOSA-N 332.440 3.125 30 1 EGEF CC(C)(C)NCc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12 142613864 HDWKABNBAQKIRF-BQYQJAHWSA-N 344.459 3.039 30 1 EGEF CC1=C2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@@]2(C)C=C(Br)C1=O 16926401 QRONGANYXMWLQI-WJCJCNKKSA-N 325.202 3.142 30 3 EGEF C=CCNC(=O)[C@@](C)(C(C)C)N(CC(C)(C)C)C(=O)c1cccnc1 28953350 XBEUPGCEDXNJLX-HXUWFJFHSA-N 345.487 3.287 30 1 EGEF N#C[C@@H]1C(=O)NC2=C(CCc3ccccc32)[C@@H]1c1cccc([N+](=O)[O-])c1 26666356 XKSNMCMXEVQOCT-ROUUACIJSA-N 345.358 3.305 30 1 EGEF C=C1CC[C@H](OC(C)=O)[C@]2(C)C[C@@]3(OCC)OC(=O)C(C)=C3C[C@@H]12 15056776 WOBIYOUKUXILKH-IAAVTCLWSA-N 334.412 3.291 30 1 EGEF biogenic CC[C@H](Oc1ccccc1Cl)c1nc2nc(C#N)c(C#N)nc2[nH]1 587061301 DBCKSABAQISLEH-LBPRGKRZSA-N 338.758 3.280 30 1 EGEF CCc1cc(O)nc(SCc2nc3cc(C#N)cc(Cl)c3[nH]2)n1 586967057 SRZCNHHRZXATQK-UHFFFAOYSA-N 345.815 3.438 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc([N+](=O)[O-])c(C#N)c1)O2 587389818 NJYBPVAVMFLYGW-GOSISDBHSA-N 337.335 3.238 30 1 EGEF COc1ccc([C@@]2(C#N)NCCc3cc4cccc(OC)c4nc32)cc1 963034093 LKWHJKFSZKKQND-OAQYLSRUSA-N 345.402 3.165 30 1 EGEF CC(C)(C)NC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 14970016 CBRFYHIFCHDUDU-AWEZNQCLSA-N 343.537 3.002 30 1 EGEF CC#C[C@@H](c1ccc(OCc2ccccc2)cc1)c1oc(=O)[nH]c1O 169724820 KMOHPLLVICCTRS-KRWDZBQOSA-N 335.359 3.408 30 1 EGEF CC1=CC(=O)[C@H]2[C@H]3[C@H]1[C@@]2(C)[C@@H](O)C[C@@H](OC(=O)CC(C)C)C3(C)C 2356460412 UGKBIZLCLHQSKU-UTENSGDISA-N 334.456 3.133 30 1 EGEF CC1=C/C(=C2/C=C(c3cccc(Br)c3)NN2)C(=O)C=C1 100527517 JELWVENSHSFUJZ-FYWRMAATSA-N 329.197 3.237 30 3 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 2356692240 OWAUPJWPBXIMAJ-GFAJBQDWSA-N 346.423 3.250 30 1 EGEF O/C(=N\c1ccc2nc(Cc3ccccc3)nn2c1)NCc1ccco1 74387221 DGTCKYNWTKFHIL-UHFFFAOYSA-N 347.378 3.248 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CNC(=N)O2)cc1 587906485 HPTIZPMCAIKXME-KRWDZBQOSA-N 326.783 3.344 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1C(=O)O)OCO2 587902633 JDLOBKMVQLQSGX-UHFFFAOYSA-N 330.723 3.175 30 1 EGEF N#C[C@H](F)[C@]1(c2ccc(Cl)cc2)NCCc2c(C(=O)O)cccc21 963135006 VIOQFAHPUXRQIO-FUHWJXTLSA-N 344.773 3.289 30 1 EGEF O=c1c(/C=N/c2ncccc2O)coc2ccc(Br)cc12 1772619613 TZRUTPBYKUERFA-CNHKJKLMSA-N 345.152 3.407 30 1 EGEF COC1=C/C(=C/NNc2cccc(C)c2)C=C(Br)C1=O 13120270 MTDJFJYLXSGZRJ-PKNBQFBNSA-N 335.201 3.187 30 3 EGEF CNC(=O)/C(=N/OC)c1ccccc1COc1ccc(Cl)cc1C 103193832 OECADYJORQOZBX-HEHNFIMWSA-N 346.814 3.324 30 1 EGEF CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(OC(C)C)c2)cc1 113411417 FUKCCWKQJCMRFD-MRXNPFEDSA-N 336.435 3.336 30 1 EGEF C=C[C@@](C)(O)CC/C=C(\C)[C@@H](OC(C)=O)[C@@H](C=C(C)C)OC(C)=O 85760056 HRCVDYKTTYCITA-QBPVHFAYSA-N 338.444 3.480 30 1 EGEF biogenic,in-vitro CC#Cc1cncc(-c2cc([C@@]3(C4CC4)N=C(C)C(N)=N3)ccc2O)c1 95579096 AHRMUGFBTQOUNO-NRFANRHFSA-N 344.418 3.220 30 1 EGEF C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C(=O)O[C@]2(/C=C/C=C(C)C)CO 238776154 JYBJATPZXXGWRQ-UNSDZURXSA-N 332.440 3.317 30 1 EGEF N#Cc1ccc(/N=C2\c3ccccc3CN2c2ccc(C#N)nc2)cn1 299827849 PYLKBFDJJMFFSH-LKUDQCMESA-N 336.358 3.318 30 1 EGEF C[C@H]1CCC/C1=N\N=C1/SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 653787403 JRQAJHOAUZNUAC-DJOXSAMFSA-N 346.412 3.202 30 1 EGEF COC(=O)COc1cccc(C#Cc2cc(Cl)ccc2OC)c1 587905539 YSKSPFCYYPSYTA-UHFFFAOYSA-N 330.767 3.300 30 1 EGEF C[C@H](Oc1ccc(C#N)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587192367 ZQPLWRFRVFWPNN-NSHDSACASA-N 332.363 3.459 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc([N+](=O)[O-])c1F 587915921 VZNSCKXHIPTYFT-UHFFFAOYSA-N 349.701 3.494 30 1 EGEF CCS(=O)(=O)c1ccc2nc(-c3ccc(C)c(C#N)c3)[nH]c2c1 587188740 UBHWATIBNDYYDX-UHFFFAOYSA-N 325.393 3.204 30 1 EGEF C=CCc1cccc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c12 587232444 XCLYVMUVBQYGDV-CVEARBPZSA-N 341.455 3.328 30 1 EGEF COc1nn(Cc2ccc(-c3ccccc3C#N)cc2)cc1C(=O)O 26186081 JBKCUZDERXKOEL-UHFFFAOYSA-N 333.347 3.177 30 1 EGEF C=C1C[C@H](O)C=C(C)CC[C@H]2C(=CC=CC(C)(C)O)COC(=O)[C@H]12 2356576264 UQKDIHVSLOQHAL-FGTMMUONSA-N 332.440 3.076 30 1 EGEF CC=C(C)C(=O)[C@@H]1C=C(C)CC[C@]23OC(=O)[C@H](C)[C@@H]2CC(=O)[C@@]13C 2356784640 PLGQNLAPGDISAV-DYFWIGMVSA-N 330.424 3.405 30 1 EGEF OCCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1 40975515 CGDZXQIYUJFMAG-FCDQGJHFSA-N 348.406 3.119 30 1 EGEF N#Cc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1N 587248936 GAUNRBMKJMFWLP-UHFFFAOYSA-N 329.157 3.152 30 1 EGEF N#Cc1nc2nc(Cc3ccccc3-c3ccccc3)[nH]c2nc1C#N 587959292 QDJGDBPMQDZMKM-UHFFFAOYSA-N 336.358 3.354 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C#N)c1nc3ccccc3[nH]1)O2 587397081 RUOJDHHDXRFERD-RBZFPXEDSA-N 346.390 3.485 30 1 EGEF C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(\[C@@](C)(O)CO)C[C@@H]1O 169361131 NWBHMZVDIALTDH-RBNAFWSPSA-N 336.472 3.031 30 1 EGEF CC(=CC[C@]1(O)CC(=O)C(C)=CC1=O)CCC=C(C)CCC(=O)O 2356323787 NUBNMOKMSXKSKF-IBGZPJMESA-N 334.412 3.133 30 1 EGEF C=C1C(=O)O[C@@H]2C3=C(C)CCC(=O)[C@]3(C)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356423208 QSSPNILUWTYPQM-IDVHHABFSA-N 344.407 3.052 30 1 EGEF COc1ccc2cc(/C=N/S(=O)(=O)c3ccc(C)cc3)n(C)c2c1 36387641 CLWACLXHHXQFQL-XDHOZWIPSA-N 342.420 3.303 30 3 EGEF COCC1=C2C[C@@]3(C)C(=O)C=C(C(C)C)[C@]34C[C@H](O)[C@H](C)[C@@]2(CC1)O4 1911583283 UOHJSCOPNXPMGJ-RMLPUJHBSA-N 346.467 3.193 30 1 EGEF COc1ccc(OC)c(SC[C@H]2CCCC[C@H]2C(=O)NCC#N)c1 82110485 KDZXVQUDQALRJZ-UKRRQHHQSA-N 348.468 3.242 30 1 EGEF Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCCCCCS 653710191 HTZQTRGRGUVZBJ-UHFFFAOYSA-N 335.448 3.446 30 1 EGEF CCCc1[nH]nc2c1[C@H](c1cc(OC)cc(OC)c1)[C@@H](C#N)C(=N)O2 169690853 ZWQSEOOXWUDWCC-UKRRQHHQSA-N 340.383 3.021 30 1 EGEF O=[N+]([O-])c1cccc(/C=N/CCC/N=C/c2cccc([N+](=O)[O-])c2)c1 103175332 BNRJDAHWNVAPAO-KLCVKJMQSA-N 340.339 3.431 30 1 EGEF CC(C)(C)C1=C(Br)c2nc3ccccn3c2C(=O)C1=O 103281857 AAMYARFTPGWJFZ-UHFFFAOYSA-N 333.185 3.252 30 1 EGEF C=C[C@@](C)(O)CC/C=C(\C)[C@@H](O)C/C=C(\C)CC[C@@H](O)C(C)(C)O 238777497 PFPFSFZDWLOUQY-HIRIICFPSA-N 340.504 3.259 30 1 EGEF COc1ccc(/C=C2\COc3cc(OC)c(OC)cc3C2=O)cc1O 140180069 MVRMZYSAVJUULH-WUXMJOGZSA-N 342.347 3.077 30 1 EGEF C=CCc1cccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c12 587226146 VYCOBWKPIVNXAS-CQSZACIVSA-N 335.407 3.375 30 1 EGEF C=CC[C@]1(CNC(=O)OCC)c2ccc(F)cc2C[C@H]2CCCN21 963095012 BYLGOJQBPHSTDW-APWZRJJASA-N 332.419 3.364 30 1 EGEF O=C1C=CC=CC1=C1c2cc(O)c(O)cc2Oc2cc(O)c(O)cc21 13597410 KQHWRFPXTWPBDQ-UHFFFAOYSA-N 336.299 3.112 30 1 EGEF C[C@@H](O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21CO 1857536584 SVWJFFROLUZTEH-DJGQTACFSA-N 332.484 3.488 30 1 EGEF CCOC(=O)C(=O)C=C/C(SCc1ccccc1)=C(\O)OCC 1857536655 JWBKZDYKYDPKBM-UIRNWIAESA-N 336.409 3.372 30 1 EGEF CC(=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)CC[C@@H]3O)CO 2356464218 BDMIMSPBTFWTBC-VJARNRFFSA-N 346.467 3.445 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCCC(C)=CCC[C@]3(CO)O[C@H]3C[C@@H]12 2356579084 PRUIDJLINDRLON-HLNWXESRSA-N 332.440 3.461 30 1 EGEF C=C1CC[C@@H](O)C(=C)CC[C@@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@H]12 2356683011 DKAXGACCDFMXHY-KBAYOESNSA-N 332.440 3.076 30 1 EGEF CCC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(C)c(OC)cc(C#N)c21 71333326 VWLXWSKSODBZDV-LJQANCHMSA-N 342.395 3.399 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc2[nH]ncc12 587907141 DXOFUIGUMXPTAX-UHFFFAOYSA-N 340.766 3.411 30 1 EGEF COC(=O)c1cc(C#N)ccc1C#Cc1cc(Cl)ccc1OC 587901350 ZNHHVGHWRRVQKB-UHFFFAOYSA-N 325.751 3.407 30 1 EGEF CNC(=O)/C(=N/OC)c1ccccc1COc1ccc(Cl)cc1 103180614 CTXGCBYKELYXEM-CAPFRKAQSA-N 332.787 3.016 30 1 EGEF COC[C@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)C1 210755951 SGDNLMNAWOAVJR-HNNXBMFYSA-N 347.422 3.359 30 1 EGEF CCCCCCCC[C@@H](O)/C=C/[C@H](O)[C@H](O)CCCCC(=O)O 224330956 SDZXJCJBNSUABH-ZVWIDNOQSA-N 330.465 3.021 30 1 EGEF COc1ccc(/C(COc2cc3ccccc3oc2=O)=N/O)cc1 653793848 FOWAMEVJEXYREX-XDJHFCHBSA-N 325.320 3.059 30 1 EGEF CC[C@@]1(O)C[C@@H](O)[C@H]2[C@@H]3CC[C@H]4CC(O)=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C 12493620 YXMCPINQJVUPGV-MGQJQXAKSA-N 348.483 3.372 30 1 EGEF endogenous,in-man CC(C)=CCOc1ccc([C@H]2C(=O)N(O)C(=O)C2=CC(C)C)cc1 2356434738 CIBYRBNESSOEJP-QGZVFWFLSA-N 329.396 3.456 30 1 EGEF C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)/C=C/CC(=O)O 36381741 PEWPMYZMEPFQRZ-IGJNKPTASA-N 333.384 3.316 30 3 EGEF C#CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587402307 XBHIKNMSJAANAE-GOSISDBHSA-N 337.375 3.304 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CN2CCNCC2)cc1 587906237 VXFBPEXPNVONQF-UHFFFAOYSA-N 340.854 3.154 30 1 EGEF C=CCc1cccc2nc(C3CCN(S(=O)(=O)CCC)CC3)[nH]c12 586952406 JZHIXYSIWGRDMU-UHFFFAOYSA-N 347.484 3.211 30 1 EGEF COc1ccc(CNC2=C(Cl)C(=O)c3ccc(C)nc3C2=O)cc1 1857555085 SVRURKBHVZMHIV-UHFFFAOYSA-N 342.782 3.018 30 1 EGEF N#Cc1ccc2sc(NC(=O)NCc3nc4ccccc4[nH]3)nc2c1 28899690 GLWBDQNDKZJSLI-UHFFFAOYSA-N 348.391 3.366 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(COC(=O)[C@H](C)CC)[C@H](O)C[C@@H]12 2356585923 GFQXSAJTPGBBCT-BVPBIZIASA-N 348.439 3.091 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CC=C(C)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356614411 TXMPZNDZQFKJQU-NEHHDPPZSA-N 346.423 3.250 30 1 EGEF C=CCN1CCc2c(cc(O)c(O)c2C)[C@H](c2ccc(O)cc2)C1 27323533 WWJLTTSGKRVEHP-SFHVURJKSA-N 325.408 3.288 30 1 EGEF COc1cc2c(cc1OC)[C@@H]1C/C(=N\O)[C@@H]3CCCC[C@@H]3N1CC2 38811248 CADPBCPVJBOUEG-PZAOLIMWSA-N 330.428 3.396 30 1 EGEF COc1ccc(C(=O)COC2=C(C)C(=O)C(=O)c3ccccc32)cc1 72111162 LUWRNGRUZQLHGP-UHFFFAOYSA-N 336.343 3.091 30 1 EGEF O=C(/C=C/N1CCC(c2ccc(O)cc2)CC1)c1ccc(O)cc1O 45349509 YOPNCXLECOFSRR-FMIVXFBMSA-N 339.391 3.379 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)[C@H](C)CC)[C@H](O)[C@@H]12 238748022 SKCXSNIQFDWWOF-MLKFWYBVSA-N 348.439 3.089 30 1 EGEF C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)C[C@@]2(C)O1 238757524 KHWYXTPDPJIZQG-YLZOMSAMSA-N 336.472 3.008 30 1 EGEF O=C(CCCCc1ccn(Cc2ccc(C(F)(F)F)cc2)n1)NO 299819703 DRPWGIFMCQXPNS-UHFFFAOYSA-N 341.333 3.168 30 1 EGEF Cc1cc(O)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587889697 UJUGEPOLLRMNRG-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF CCCCCCCC[C@H](O)[C@@H](O)C=C[C@H](O)CCCCC(=O)O 2356498826 KFPLVZLISLBBSJ-IKGGRYGDSA-N 330.465 3.021 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C[C@H](C)[C@H](OC(=O)C(C)=CC)C[C@@H]12 2356541462 DJGASAIKXNFYNL-OGCZYDBJSA-N 348.439 3.089 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@H](OC(=O)C(C)=CC)[C@@H]1O 2356631676 KSHIKWOUQJRNSY-WLZZWWMSSA-N 336.472 3.235 30 1 EGEF Cc1ccc(Oc2cncc(NC(=O)c3cccc(C#N)c3)n2)cn1 96175619 AIEYCJQSSISNCJ-UHFFFAOYSA-N 331.335 3.096 30 1 EGEF COc1ccc(Cl)cc1C#Cc1nn(C)c2ncnc(Cl)c12 587912860 ABEXDXDTOFIGEM-UHFFFAOYSA-N 333.178 3.079 30 1 EGEF N#Cc1nc(Cl)cc2[nH]c(C(=O)Nc3ccccc3Cl)nc12 587060216 GFAYWKDZAXSBQD-UHFFFAOYSA-N 332.150 3.389 30 1 EGEF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSC[C@@H]2C#N)N1 587855104 FTIRQJWGTNCZCG-YACGNSKGSA-N 341.249 3.204 30 1 EGEF N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 587588730 LIGNAHJMNMTXMB-QFBILLFUSA-N 332.315 3.295 30 1 EGEF Nc1ccc([N+](=O)[O-])cc1/N=C/c1cc(Br)ccc1O 1857600401 NNHACBKWMIXBHF-FRKPEAEDSA-N 336.145 3.396 30 1 EGEF CC(=O)NCC#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1 12339887 OCTFOYVLLVCAJD-UHFFFAOYSA-N 330.409 3.210 30 1 EGEF N#Cc1ccc(-c2ccc(OCCCN3C[C@@H]4CNC[C@H]4C3)cc2)cc1 13859999 IVRXDSYEBGHJBD-SFTDATJTSA-N 347.462 3.145 30 1 EGEF CC(C)Oc1ccc(-n2cc(C(=O)O)c(C(F)(F)F)n2)cc1C#N 1857762643 IVPSGZCRFYAOPQ-UHFFFAOYSA-N 339.273 3.248 30 1 EGEF C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@@]12C=C(C)[C@@H](O)O2 2356769424 DPMMSWDFPUUAAQ-DFQSSKMNSA-N 340.375 3.220 30 1 EGEF C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@H](C)/C=C\CC(=O)OC 72946509 KJHMKRHEJWSQIB-ZFEMFGBMSA-N 347.411 3.404 30 1 EGEF C=C1CC(=O)/C=C(/C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12 199863358 RGTPNNMQGBLXOP-QBWHOSCFSA-N 330.424 3.285 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C/C=C/[C@](C)(O)CC[C@H]3O[C@@]3(C)CC[C@H]12 238754588 FTWOERARESUNOJ-GMRKXMLRSA-N 332.440 3.459 30 1 EGEF C=C[C@]1(C)CC[C@]2(C)[C@@H](C1)C(=O)[C@@H](O)[C@H]1[C@]3(C)CCC[C@@]12OC3=O 146758754 LLZLGNRWPHGJGY-XKRQBDBYSA-N 332.440 3.031 30 1 EGEF CCCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 95563883 SORLDFQQPMQIOG-UHFFFAOYSA-N 336.443 3.416 30 1 EGEF CN(C)CC#CCCC(=O)[C@@](O)(c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 299805101 VCZVZKXCDQXJCF-GWOFKNCZSA-N 339.479 3.225 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(Cl)nc1NC(C)=O 587903265 NNJMPVDJBOPFLC-UHFFFAOYSA-N 336.178 3.150 30 1 EGEF C[C@@H](O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]12CO 1857536583 SVWJFFROLUZTEH-CWKWDLCCSA-N 332.484 3.488 30 1 EGEF CCCCCOc1ncccc1[C@@H](O)CC#CCCCC(=O)OC 28526496 YEVFWPNBOURHOL-KRWDZBQOSA-N 333.428 3.421 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCC[C@](C)(O)C=CC[C@]3(C)O[C@H]3C[C@@H]12 2356561136 QMKCRYHPZVAORM-VYMYIBDJSA-N 332.440 3.459 30 1 EGEF N=C(N/N=C\c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 36487790 MOOFYEJFXBSZGE-KFSYKRRRSA-N 334.210 3.475 30 1 EGEF endogenous,in-man COc1ccccc1CN/C(=N\O)c1ccc(C)nc1OC1CCC1 72181134 KPXCNCWFBJJFRX-UHFFFAOYSA-N 341.411 3.256 30 1 EGEF COC1=C(C(C)C)C(=O)c2c(O)cc3c(c2C1=O)C=CC(=O)C3(C)C 44307534 STVUTFZJYUGHSD-UHFFFAOYSA-N 340.375 3.201 30 1 EGEF C=C(C)[C@H]1Oc2ccc(C(C)=O)cc2[C@@H]1OC(=O)C[C@](C)(O)CC 238735609 HUHWAEWCMOXKEF-CEXWTWQISA-N 332.396 3.362 30 1 EGEF O=C(/C=C/c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1)NO 96907221 UEPLVUSMTIJWAH-AATRIKPKSA-N 326.440 3.264 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc2c(O)nc(O)nc12 587911219 ANNPTUMXXLDPQL-UHFFFAOYSA-N 326.739 3.103 30 1 EGEF N#Cc1ccc(-c2csc(/C(=C/c3ccccc3O)C(N)=O)n2)cc1 587921624 LICDGEDMHLOAMI-OQLLNIDSSA-N 347.399 3.413 30 1 EGEF COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@H](C)C#N)cc1)[C@@H](C2)C3=O 587428316 NSBDRRYHHDDWMK-MGZSFGTLSA-N 335.359 3.475 30 1 EGEF CON(C)C(=O)Oc1cccc(/C=C/C(=O)c2ccccc2O)c1 1857615033 JYCVHXOCRFCJNO-ZHACJKMWSA-N 327.336 3.280 30 1 EGEF C=C[C@]1(C)CC2=CC[C@@H]3[C@](C)(C(=O)O)C[C@H](O)C[C@]3(C)[C@@H]2C[C@@H]1O 2356677045 FADJIPYNWIKCST-BONJLBFOSA-N 334.456 3.148 30 1 EGEF C#C[C@@H]1CN2CC[C@H]1C[C@H]2COC(=O)Nc1cccc(SC)c1 2356867911 WXIWKAVKSQBFDG-YCPHGPKFSA-N 330.453 3.301 30 1 EGEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587191576 RTKLGLXVGQKYNG-MRVPVSSYSA-N 333.273 3.335 30 1 EGEF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 587164560 WJENZGRIUAQTHQ-OAHLLOKOSA-N 329.766 3.273 30 1 EGEF CCCCOc1cc(C)cc(S(=O)(=O)c2cccc(N)c2C#N)c1 5838119 KNQLXTWBNVHOSD-UHFFFAOYSA-N 344.436 3.461 30 1 EGEF N=C(NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)cc2)cc1 40568493 QGEAKPAOMBXELO-UHFFFAOYSA-N 346.390 3.419 30 1 EGEF Cc1cc(O)c2c(c1)C(O)=C1C(=O)c3c(O)cccc3C(O)=C1C2=O 2356793221 KIRNAGFFTKYNTQ-UHFFFAOYSA-N 336.299 3.037 30 1 EGEF CCCCCCCCNC(=O)CC(=O)Nc1ccc2[nH]ncc2c1 71317507 VFVKBBGMKFVJTO-UHFFFAOYSA-N 330.432 3.368 30 1 EGEF O/C(=N\c1ccc2nc(-c3ccco3)nn2c1)NCc1ccccc1 82082034 MPZORGGUFVHSCK-UHFFFAOYSA-N 333.351 3.325 30 1 EGEF CCCc1cc(=O)n2nc(COc3ccc(Cl)cc3)c(C#N)c2[nH]1 473247246 CGDCFMGSSFNMKZ-UHFFFAOYSA-N 342.786 3.079 30 1 EGEF C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587189983 HCSSVWBQSZIQAL-VIFPVBQESA-N 325.299 3.412 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(N2CCC(O)CC2)n1 587910890 XNLSFMAIKWVQLN-UHFFFAOYSA-N 342.826 3.105 30 1 EGEF COc1ccc(Cl)cc1C#Cc1n[nH]c2nc(SC)ncc12 587919164 IBDZTCCDZGFVRA-UHFFFAOYSA-N 330.800 3.137 30 1 EGEF C=CCOc1ccc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963016006 BSJHCHKUKFMKDS-BTYIYWSLSA-N 334.419 3.394 30 1 EGEF N#C[C@@H]1CCCN1C(=O)CNCCC(c1ccccc1)c1ccccc1 13522942 XTQWVERKWAYRLX-FQEVSTJZSA-N 347.462 3.313 30 1 EGEF C=C(CC[C@@H](/C=C/[C@@](C)(O)CC(=O)OC)C(C)C)[C@@H]1CCC(=O)O1 14485679 FXGAQFNYCJXRIU-JSADETCFSA-N 338.444 3.171 30 1 EGEF CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356542634 AGQDSDOJDGKJHC-SVBHMRACSA-N 332.484 3.486 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ncc(N)cc1Br 587910542 HCVMAQKMPCDWJX-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF C=C1C(=O)OC[C@@H]1[C@@H](O)c1cn(C(=O)C2CC2)c2ccc(Cl)cc12 1857545258 BBAJXSOUHSBOLQ-HOCLYGCPSA-N 345.782 3.108 30 1 EGEF CNC(=O)/C(=N/OC)c1ccccc1COc1cc(C)cc(C)c1C 103193964 HPWZWCAIOCFHMN-ZBJSNUHESA-N 340.423 3.287 30 1 EGEF CCCNC(=O)C1=C(Nc2ccc3ccccc3c2)SCC1=O 101701073 XEMKMQZVNCBOSS-UHFFFAOYSA-N 326.421 3.305 30 1 EGEF CC=C(C)C(=O)OC[C@]12CCC3=C(C)C(=O)O[C@@H]3C=C(C)CC[C@@H]1O2 2356693707 NNJJZBWGTBSKOJ-FUHIMQAGSA-N 346.423 3.396 30 1 EGEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C3=C(C)C(=O)C=C[C@@]3(C)CC[C@@H]21 2356740571 SSCJYULVYLIUJD-NCJOTSGUSA-N 344.407 3.052 30 1 EGEF N#CCO[C@H]1Cn2cc(C=O)c3ccc4c5ccccc5n(c4c32)C1 473154917 MRMWXHSKVZBHNM-AWEZNQCLSA-N 329.359 3.484 30 1 EGEF CCOC(=O)[C@H](C#N)[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587506949 PDLPBWPPGUJNLY-JXFKEZNVSA-N 341.407 3.382 30 1 EGEF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C#N)cc(Cl)c2[nH]1 587267097 FLIKUWVCBKOJNN-QMMMGPOBSA-N 330.735 3.110 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(Br)cc1N 587910775 RPDKWDUZONWQIF-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF CNC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1OC 587903730 ODXLYJAOVSCOFU-UHFFFAOYSA-N 329.783 3.117 30 1 EGEF Cc1coc2c1C[C@]1(C)[C@H](CC[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]1C)C2=O 2356427725 LESDSDOYPJTSBW-OOTAUSJISA-N 346.423 3.468 30 1 EGEF C=C1CC[C@]2(O)C(=C)CO[C@H]2C=C(C)CC[C@H](O)[C@@]2(C)CC[C@H]1O2 2356695534 LJAXIDCBOWLLHK-CXQPBAHBSA-N 334.456 3.048 30 1 EGEF CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@](C)(O)C2=CC(=O)C(C)(C)O2)C1 214051406 BNEONHJMPXMLIV-WGKLNOIHSA-N 348.439 3.378 30 1 EGEF CC(C)C(=O)NCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O 95596202 WXRYETNKRJNDCX-UHFFFAOYSA-N 329.396 3.066 30 1 EGEF N#Cc1nc(Cl)cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587016786 NTRCZLNCPWPFRO-JTQLQIEISA-N 331.788 3.458 30 1 EGEF C[C@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)C=C(c2ccccc2F)NO1 587156464 NRLKPXGDKBJMEK-LJQANCHMSA-N 345.337 3.236 30 1 EGEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587190613 KPYYDFMVDDIXQF-GFCCVEGCSA-N 334.379 3.276 30 1 EGEF CC(C)C1=CC(=NOS(=O)(=O)c2ccccc2)C=C(C(C)C)C1=O 3078333 IWQXMUKUKMVTMN-UHFFFAOYSA-N 347.436 3.495 30 1 EGEF C=C[C@]1(C)C[C@@H]2OC(=O)C[C@@]3(C)[C@@H]4[C@@H](C[C@](C)(O1)[C@H]23)OC(=O)C4(C)C 2356794230 LBJVUIZUIJGCMR-NFPQOEOTSA-N 348.439 3.020 30 1 EGEF COc1cc(OC)cc(-c2c(C#N)c(=O)oc3cc(OC)ccc23)c1 34007619 MKESRLPIKNTEPL-UHFFFAOYSA-N 337.331 3.357 30 1 EGEF CCOc1cc(Cl)cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1O 299822080 OKSAVGBTXALUEE-QGMBQPNBSA-N 331.759 3.365 30 1 EGEF O=C(NO)C1(COc2ccc(Oc3ccccc3)cc2)CCOCC1 299836151 MSEGGAXCHVLTDK-UHFFFAOYSA-N 343.379 3.160 30 1 EGEF CCCc1cc(=O)n2nc(OCc3ccc(Cl)cc3)c(C#N)c2[nH]1 473247204 BHBXITAHRXQMFN-UHFFFAOYSA-N 342.786 3.079 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(C2(C=O)COC2)c1 587904854 ZSPRCQQXXBSZKJ-UHFFFAOYSA-N 326.779 3.215 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(NC(C)=O)c(C(=O)O)c1 587902492 XGMIADJCYUPUQE-UHFFFAOYSA-N 343.766 3.405 30 1 EGEF C[C@H](Oc1cccc(Cl)c1)c1ccnc2nc(/N=C\N(C)C)nn12 13143160 QCIDABMIGABSSL-ORPVNXHJSA-N 344.806 3.139 30 1 EGEF C=CC[C@H](C)CCC(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 102986674 GUDJFVSIVSVROS-KRXQYRFLSA-N 339.501 3.346 30 1 EGEF CCCCCCCCC[C@H](O)C=C[C@@H](O)[C@@H](O)CCCC(=O)O 2356570153 XYVMMUYIQOLBNH-YESZJQIVSA-N 330.465 3.021 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](CF)(C(=O)O1)[C@H]2[C@H]3C(=O)OC 2356583774 GTTGJFGTOPQRLF-GFLFDIAYSA-N 348.414 3.203 30 1 EGEF N=C(NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)cc2)o1 40763480 MCIPAHHDNLJGBW-UHFFFAOYSA-N 336.351 3.012 30 1 EGEF C=C1[C@H](O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 238784613 NEQNPJRJYTVQSB-WZMSKDTASA-N 348.483 3.214 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1N1C(=O)C=CC1=O 587903103 WRCVZWGMFPSBIL-UHFFFAOYSA-N 337.762 3.178 30 1 EGEF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC=CC=CC2=O 587605131 XNJUJESFTLCEMB-YLJYHZDGSA-N 334.327 3.178 30 1 EGEF CCC[C@@H]1C(C(=O)OCc2cccnc2)=C(C)NC2=C1C(=O)CCC2 1857656654 UFLLHDHEDOPSLY-OAHLLOKOSA-N 340.423 3.425 30 1 EGEF C=CCNc1ccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@H]3C2=O)cc1[N+](=O)[O-] 4684083 RPXVFSXKBAUKST-KWCYVHTRSA-N 343.383 3.118 30 1 EGEF Cc1cccc(C#C[C@@]2(O)C[C@@H]3CC[C@H](C2)N3C(=O)C(C)(C)C)c1 103287317 NEVVMIVMAQEBRF-WGMWDUQUSA-N 325.452 3.277 30 1 EGEF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@]1(CO)O[C@H]13 2356761843 HBKMARFBPBPXIX-WHEBEGSLSA-N 348.483 3.312 30 1 EGEF Cc1c(F)ccc2c1[C@@](C=O)(c1ccc(Br)cc1)NCC2 962294236 BEGAGBNUQWXCPU-QGZVFWFLSA-N 348.215 3.485 30 1 EGEF O=C1Nc2c(Br)cccc2/C1=C\C(=O)c1cccnc1 101412621 OWPAVLUZKPJKLG-YRNVUSSQSA-N 329.153 3.063 30 1 EGEF COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)C(=O)O)cc1 103277985 QFLUBNKJEUXJPI-FMIVXFBMSA-N 348.358 3.215 30 1 EGEF COc1ccc(C(=O)N[C@@H](C(=O)c2ccc(C#N)cc2)C(C)C)cc1 84688683 MWEJPRYWFKNEQK-GOSISDBHSA-N 336.391 3.204 30 1 EGEF CCCC(Br)(CCC)c1nc2nc(C#N)c(C#N)nc2[nH]1 586971863 ZKJISQBOXJJUTD-UHFFFAOYSA-N 347.220 3.287 30 1 EGEF C=C(C)n1c(=O)n(C(=O)CCCC)c2cc(Br)cnc21 1857753450 GVTIIUFFUKBLES-UHFFFAOYSA-N 338.205 3.282 30 1 EGEF O=[N+]([O-])c1ccc(NC(=S)N/N=C2\CCc3ccccc32)cc1 1772643024 WXHHRZDRRJUXIQ-OBGWFSINSA-N 326.381 3.232 30 1 EGEF CC1(C)Oc2ccc(C#N)cc2[C@](C)(C(=O)Nc2ccccc2)C1=O 13650100 NTTHGLAMOIOUSL-FQEVSTJZSA-N 334.375 3.195 30 1 EGEF N#Cc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1 28383844 YVJZNOHNGOFLHT-UHFFFAOYSA-N 342.337 3.402 30 1 EGEF CN(C)CCCN(C1=CC(=O)C(=O)c2ccccc21)c1ccccc1 100949975 VMGOJHHDIIBVPQ-UHFFFAOYSA-N 334.419 3.251 30 1 EGEF C=C[C@]1(C)C=C2[C@H](O)C[C@@H]3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@H]2C[C@@H]1O 2356598412 PEHMNBMSMKSSAA-CXICGXRGSA-N 348.483 3.236 30 1 EGEF C/N=C1\O/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1C 73139485 SOBPJLKGXARBHT-XXUJCTABSA-N 327.359 3.049 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 238734146 ITWYQAIFKHRKRR-XQYCFXPISA-N 346.423 3.011 30 1 EGEF CCCN=c1[nH]c(Cl)ncc1C#Cc1cc(Cl)ccc1OC 587903090 JOXOGMWWTPDPJV-UHFFFAOYSA-N 336.222 3.436 30 1 EGEF COc1ccc(Cl)cc1C#Cc1c[nH]c(C(=O)N2CCCC2)c1 587910144 LUGPEOWNAJPPFF-UHFFFAOYSA-N 328.799 3.313 30 1 EGEF C#CCOc1cc(C)ccc1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963015353 AUHXGBGOHVUGPU-IVZQSRNASA-N 346.430 3.150 30 1 EGEF N#Cc1ccc([C@H](c2coc3ccccc3c2=O)n2ccnc2)cc1 13675773 ZYDFLNTVLZWITD-LJQANCHMSA-N 327.343 3.499 30 1 EGEF C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)C(=CCO)CC[C@H]12 1857742014 SBMHTRUNPKWTLU-ZJKGHYPUSA-N 330.468 3.408 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](O)C=C(C)CCC=C(C)[C@H]2OC(=O)CC(C)C 2356384000 HYVHAPROKWELKE-KANFNMMFSA-N 348.439 3.089 30 1 EGEF COC(=O)[C@H]1C(=O)C=C(NCCc2ccccc2)C[C@@H]1c1ccccc1 101632579 DNBYHSZIGXMJJJ-TZIWHRDSSA-N 349.430 3.248 30 1 EGEF CC(=O)C1=CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C 2356549193 UYGZZVKOVWATFR-KKPFLKIHSA-N 326.436 3.390 30 1 EGEF CC1=CC(=O)C[C@H](C)C[C@@H]2OC(=O)C(C)=C3CC[C@@](C)(CC1)[C@]32O 2356791720 IXGLBMQORNELCO-KGUHOSCRSA-N 332.440 3.485 30 1 EGEF C[C@@H]1Cc2ccccc2C[N+]1(C)CC(=O)c1cccc([N+](=O)[O-])c1 38142121 KJPXXDPGGYIUGW-CKAQCJTGSA-N 325.388 3.369 30 1 EGEF C=C1C[C@@](C)(COc2ccc3c(C)c(C)c(=O)oc3c2C)OC1=O 1642827 ZTAQZLVRTRINNV-IBGZPJMESA-N 328.364 3.359 30 1 EGEF C=C1C(=O)O[C@H]2C[C@H]1CC=C(C)[C@H](O)CCC(C)=CCC[C@]2(C)O 2356760631 ASSMVNDLURCOIV-XSYGEPLQSA-N 334.456 3.443 30 1 EGEF C=C1[C@@H](O)CC[C@@]2(C)CC[C@@]3(O)O[C@@]12C[C@@]3(C)CCC(=O)C(C)C 238778605 DQHNNRWINMUZIY-UHZRXMQZSA-N 336.472 3.357 30 1 EGEF CC(C)C1=C[C@H](C=O)[C@@H]2C(=C1O)OC(=O)[C@@]21CCCC(C)(C)[C@@H]1C=O 95914874 IKFUOVBMEQRIIS-UTIMDCKPSA-N 346.423 3.352 30 1 EGEF biogenic,in-vitro COc1ccc(Cl)cc1C#Cc1nccc(Br)c1N 587913239 KPQBUCCLBHBBLU-UHFFFAOYSA-N 337.604 3.488 30 1 EGEF C=C[C@]1(C)C[C@](O)([C@H]2OC2(C)C)Oc2c1c(=O)oc1cccc(C)c21 15204721 GTHJSZWFFNGEQF-DFQSSKMNSA-N 342.391 3.194 30 1 EGEF biogenic CCCCCCCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C(=O)NO 169308245 UJMLXDFLRIMRPR-UHFFFAOYSA-N 347.371 3.068 30 1 EGEF CO[C@@]1(C#C[C@@](O)(c2ccccc2)C2CCCC2)CN2CCC1CC2 28564072 VDLFTAVQHMFQHW-FCHUYYIVSA-N 339.479 3.179 30 1 EGEF COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1N 103286463 MMRXOIFFSOFCAN-FNORWQNLSA-N 343.379 3.199 30 1 EGEF C=C(C)[C@@H](O)Cc1cc(CCc2cc(O)cc(O)c2)cc(O)c1OC 36374839 VBRNAZIXIBRGPL-SFHVURJKSA-N 344.407 3.077 30 1 EGEF C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)O)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O 40564929 XSFIVMKHHUNCGU-LCDBYBOQSA-N 330.468 3.428 30 1 EGEF C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)/C(C)=C\C)/C=C(\C)CC[C@@H]1O 238764993 UPYSSTOWRYYTEG-SIVKKPHQSA-N 346.423 3.010 30 1 EGEF O=C(N1CCCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1 96273041 CWESSVGZCQTXCA-UHFFFAOYSA-N 337.448 3.117 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)CC#N)cc1 587917847 URYLYOVZTVNQOC-UHFFFAOYSA-N 345.807 3.046 30 1 EGEF Cc1cc(C(=O)/C(=N\Nc2ccc(Cl)c(Cl)c2)C(=O)O)no1 1857564224 TUSGEXWDTIBSLG-GZTJUZNOSA-N 342.138 3.025 30 1 EGEF COc1ccc(/C=C2/C(=O)c3ccccc3[C@H]2N2CCOCC2)cc1 1857612928 QAPFGGKOBMNFLP-IAERKFLBSA-N 335.403 3.348 30 1 EGEF COc1cc2c(cc1OC)C(=O)/C(=C/[C@H]1C[N@@]1Cc1ccccc1)C2 1857628738 UQDADZYITBDQEY-LGOPOFPWSA-N 335.403 3.253 30 1 EGEF CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356787477 UYIDGSXWJICEAO-PXECCSRGSA-N 331.500 3.453 30 1 EGEF O=C(O)CCCCCCNC(=O)[C@]1(CS)CCc2ccccc2C1 26175402 DYGXRRYDCDLZTH-LJQANCHMSA-N 349.496 3.243 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(N2CC[C@H](N)C2)cc1 587908205 WGHQBBYXUQUOHK-KRWDZBQOSA-N 326.827 3.286 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(C)CC/C=C(/C)CC/C=C(/C)[C@H]2O 169298975 HVJGVUTXXJGUKC-AKUBYXMPSA-N 332.440 3.459 30 1 EGEF O=C(c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])c(/C=N/O)c2)c1 169311963 ZMOAHXRYZNHGKA-YBFXNURJSA-N 335.319 3.425 30 1 EGEF NC(N)=NC(=O)c1cc2c(-c3cc(F)cc(F)c3)cccc2s1 28525542 FIAANMFVGOHIRY-UHFFFAOYSA-N 331.347 3.260 30 1 EGEF CO[C@@H]1CCC2(Oc3cccc4cccc(c34)O2)C2=C1C(=O)C=CC2=O 86034281 LHCSRRCODDHFNE-OAHLLOKOSA-N 348.354 3.121 30 1 EGEF C/C(=C\CC[C@@H](C)C1=CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3)CO 85645390 KOATXBNOVXBDJE-HCDUGCIISA-N 346.467 3.445 30 1 EGEF N#Cc1ccc([C@](O)(c2cocn2)C(F)(F)F)cc1C(F)(F)F 653885929 AUBZQPZCKXOXRO-NSHDSACASA-N 336.191 3.363 30 1 EGEF N#Cc1c(-c2ccc(N3CCOCC3)cc2)[nH]c2cccc([N+](=O)[O-])c12 587649085 PFZKUIJBCBRFKN-UHFFFAOYSA-N 348.362 3.451 30 1 EGEF CCCCCCCC(=O)NCCCc1nc2cccc(C(N)=O)c2[nH]1 587228062 GZQIDTQBSHHPKG-UHFFFAOYSA-N 344.459 3.071 30 1 EGEF C[C@@H](Oc1cccc(Cl)c1)c1ccnc2nc(/N=C\N(C)C)nn12 13143159 QCIDABMIGABSSL-XEQXHXIFSA-N 344.806 3.139 30 1 EGEF C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)c(Cl)c1)C(C)(C)C 13806469 RLWSVKAUOUMKRF-XAWGOECBSA-N 331.803 3.066 30 1 EGEF COc1ccc(C=CC(=O)c2c(O)cc(O)cc2OC)c(OC)c1 2356523019 CWMMCBXYWVPWJL-UHFFFAOYSA-N 330.336 3.020 30 1 EGEF O/N=C(\NCc1ccncc1)c1cccnc1Oc1ccc(F)cc1 72182303 IDXRSZDZVBJGGH-UHFFFAOYSA-N 338.342 3.334 30 1 EGEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(/C)CC[C@H]2O 238788440 OASCGMGKXPPAEW-NERRIYQHSA-N 334.456 3.443 30 1 EGEF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(C#N)c3[nH]2)C(F)(F)C1 587131648 ASLLTDXLMWBHAE-NSHDSACASA-N 348.353 3.404 30 1 EGEF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C#CC(C)(C)O)cc1)O2 587404186 PAYKFWXVNCSFFP-IBGZPJMESA-N 335.403 3.406 30 1 EGEF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C#N)cn1 587868700 PAXKSKSPOOSTED-UHFFFAOYSA-N 345.284 3.228 30 1 EGEF COc1ccc(Cl)cc1C#CCc1cccc(S(C)(=O)=O)c1 587917185 CWRKCGONVYCIRM-UHFFFAOYSA-N 334.824 3.346 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cn2ccnc12 587912710 WABWZVKSRNQEBG-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc2[nH]c(=N)oc12 587911327 DYTCSQTZSXRRJN-UHFFFAOYSA-N 342.738 3.000 30 1 EGEF COC(=O)c1sc2cc(C#Cc3cccc(OC)c3)cnc2c1N 66079652 IMDIGJRIGOMILI-UHFFFAOYSA-N 338.388 3.074 30 1 EGEF COc1ccc(CNC(=O)Nc2nc3ccc(C#N)cc3s2)cc1 72182486 XSAJTNJHFVNMMS-UHFFFAOYSA-N 338.392 3.498 30 1 EGEF CN(C)/C=C1/C(=O)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511603 LZKAPVFSROHLPK-WYPWOVKWSA-N 339.435 3.468 30 1 EGEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587190975 LVPIVAGVHLEVFH-SECBINFHSA-N 325.299 3.412 30 1 EGEF COC(=O)c1ccn2c(C#Cc3cc(Cl)ccc3OC)cnc2c1 587912675 VECVLDGTJWPHFU-UHFFFAOYSA-N 340.766 3.183 30 1 EGEF CNC(=O)C(=O)C#CCCCCOc1ccc(-c2ccccc2)cc1 13553323 RNINGKYMHOIUQR-UHFFFAOYSA-N 335.403 3.221 30 1 EGEF C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@](O)(C/C(C)=C\[C@@H](O)C1)OC3=O 169292579 NAXRGDYBDAKNAZ-AQHKOYNHSA-N 332.440 3.402 30 1 EGEF C=CC(=C)[C@@H]1[C@H](OC(C)=O)OC=C2[C@H](CC=C(C)C)OC(=O)C[C@H]21 2356381679 VJHRYODKPASJPU-XIVBQZFQSA-N 332.396 3.436 30 1 EGEF CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccc(F)cc1 103176287 XJBWIVULEODWGD-ZFJBLLOBSA-N 344.386 3.200 30 1 EGEF O=c1[nH]cccc1[C@@](C#CC1CC1)(OCc1ccccn1)C(F)(F)F 26836134 HVSHQYWUWWRBQI-QGZVFWFLSA-N 348.324 3.158 30 1 EGEF CC1CCN(c2nc3sc4c(Cl)nnnc4c3cc2C#N)CC1 27525688 JZLZSWBKUHUUHX-UHFFFAOYSA-N 344.831 3.396 30 1 EGEF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@@H]2CC[C@](C)(O)[C@]13C 2356519268 UMOPXPFDSBKPSK-PBJVWAEZSA-N 348.439 3.463 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC(=O)C[C@H]2C)[C@@H](OC(=O)C=C(C)C)[C@@H]1O 2356646707 MTCZUFGHNMDVRH-PPOGKFSKSA-N 334.456 3.443 30 1 EGEF C=C[C@]1(C)CC(=NO)C2=C(C(=O)C(O)=C3C(C)(C)CC=C[C@]23C)[C@H]1O 2356738845 CZOCSKKTVSNAHB-MISYRCLQSA-N 343.423 3.457 30 1 EGEF C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@H](C)/C=C/CC(=O)OC 36381749 KJHMKRHEJWSQIB-SBPGJCINSA-N 347.411 3.404 30 3 EGEF CC1=C[C@@]2(C=CC1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 587822278 JPKKCQKASOMNOL-MGPLVRAMSA-N 336.204 3.403 30 1 EGEF C=CCc1cccc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c12 586920343 JABYIXCOSOKJFL-UHFFFAOYSA-N 342.420 3.274 30 1 EGEF C#Cc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587526149 PZRCTPWWCASPAL-QFIPXVFZSA-N 343.382 3.360 30 1 EGEF COC(=O)[C@H]1CC[C@@H]2[C@@H]3CNC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 28758403 ZJOMBWSBLZDZAK-XVSWOPEYSA-N 331.456 3.074 30 1 EGEF CC=C(C)C(=O)[C@@H]1C=C(C)CC[C@]23OC(=O)[C@H](C)[C@H]2CC(=O)[C@@]13C 2356784643 PLGQNLAPGDISAV-WJJKDBDQSA-N 330.424 3.405 30 1 EGEF C=C1C(=O)[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3 238776185 NSFLYGNWNATSHL-OZLUZYOVSA-N 332.440 3.190 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(-c2nc(=O)[nH]o2)cc1 587906706 PFRLILSGXAGMKT-UHFFFAOYSA-N 326.739 3.092 30 1 EGEF CS(=O)(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c2c1 587650865 VYANETIFVGRRME-UHFFFAOYSA-N 341.348 3.018 30 1 EGEF C[C@]12CN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C#N)C[C@@H]1CC[C@@]23C 169304625 VVPWYMMLGFSQBL-XDKFSHSGSA-N 325.368 3.139 30 1 EGEF CC1=C2[C@H](O)[C@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O 169339830 VZTKKBZCBOZPNT-RCPOKICQSA-N 333.472 3.017 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C\CC/C(C)=C\CC[C@@]3(C)O[C@H]3C[C@H]12 169369553 HVJGVUTXXJGUKC-JJQCLWCYSA-N 332.440 3.459 30 1 EGEF C=C1C(=O)O[C@@H]2CC(C)=CCCC(CO)=CCC[C@]3(C)O[C@H]3C[C@H]12 2356803002 WQBZQSVRVUHGCG-XSYGEPLQSA-N 332.440 3.461 30 1 EGEF COC1=C(C(C)C)C(=O)c2c(O)cc3c(c2C1=O)[C@H]1CC[C@]3(C)CO1 15158761 UONRPGXBIDFFQT-MPBGBICISA-N 342.391 3.451 30 1 EGEF CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1C[C@H]3C(C)(C)CCC[C@]23C(=O)O1 104380374 ZGIOOTXNBWWRKD-QZXWKGOOSA-N 344.407 3.045 30 1 EGEF in-man C=CCC[C@H]1CN(CCCC)S(=O)(=O)c2c(F)cccc2O1 61931230 XHVWNSCRWIGIDJ-ZDUSSCGKSA-N 327.421 3.344 30 3 EGEF C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238788859 TXMPZNDZQFKJQU-GRHYMRSZSA-N 346.423 3.250 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(F)cc2c1NC(=O)C2=O 587916569 NAZMQNZQUJZDDV-UHFFFAOYSA-N 329.714 3.022 30 1 EGEF C=CCNC(=O)c1c(C)c(C(=O)OCC)n(Cc2ccccc2)c1C 5054650 SWEMUWDNBPFHTJ-UHFFFAOYSA-N 340.423 3.246 30 1 EGEF O=C1C=C/C(=C\NNc2ccnc3cc(Cl)ccc23)C(O)=C1O 13120189 LUCIQFIRPBUGCQ-CMDGGOBGSA-N 329.743 3.155 30 3 EGEF C[C@@H](O)CNC(=O)c1ccc2cc(Oc3ccc(C#N)cc3)ccc2n1 584629813 PATHYJXYLSNSPH-CYBMUJFWSA-N 347.374 3.009 30 1 EGEF C=C[C@]1(C)CC[C@H]2C(C)(C)[C@H]3C=C4C=C(OC)OC(=O)[C@@H]1[C@@]42OC3=O 101652821 WEROHVUUBZUWOZ-MQEXTWSESA-N 344.407 3.128 30 1 EGEF CC[C@@H](C)C=C(C)C=CC1=CC2=C(O)C(=O)[C@@](C)(O)C(=O)C2=CO1 2356588200 LNWIOAGOUVWVSQ-WYRIXSBYSA-N 330.380 3.048 30 1 EGEF C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@H](C)[C@]12C 2356624123 RRRSBSBOBMCFGX-ZAOLFHJGSA-N 332.396 3.358 30 1 EGEF O=S(=O)(/N=C(\O)c1cccnc1Cl)c1ccc(Cl)cc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c1cnn2c(NCc3ccncc3)cc(-c3ccccc3)nc12 96176124 RZZXVVUNTHOTSQ-UHFFFAOYSA-N 326.363 3.275 30 1 EGEF CC(C)(C)c1ccc(Cn2ccc(CCCCC(=O)NO)n2)cc1 299819687 DHPTXCYGINYMBY-UHFFFAOYSA-N 329.444 3.447 30 1 EGEF COc1cc(C#Cc2cc(Cl)ccc2OC)c(C(=O)O)cc1O 587899641 BJQJLTPMYQHJAL-UHFFFAOYSA-N 332.739 3.161 30 1 EGEF COc1cc2c3c(c1)O[C@@]1(C=COc4cc(C#N)ccc41)[C@@H](C2)C3=O 587429158 OAXLTLHENZNKLQ-MGPUTAFESA-N 331.327 3.116 30 1 EGEF N#C[C@@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccnc1 169689699 CMOUYWLZRJFXKV-UONOGXRCSA-N 333.326 3.252 30 1 EGEF Cc1ccc(/C(=N\O)c2cnn(-c3ccc(F)c(F)c3)c2)c(O)c1 58581723 OAMFSVAUCIWANO-FXBPSFAMSA-N 329.306 3.391 30 1 EGEF C#Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 28958717 RZHXNTSVQNITRT-UHFFFAOYSA-N 325.375 3.385 30 1 EGEF C=C1CC=C[C@](C)(O)CC[C@H]2C(=CC=CC(C)(C)O)C(=O)OC[C@@H]12 2356495706 BLNSXPSESOVHJK-KNBMTAEXSA-N 332.440 3.076 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@@H](OC(=O)C(C)=CCO)[C@H]12 2356553190 QXVGANVELOYXEZ-KURKYZTESA-N 346.423 3.011 30 1 EGEF CCC(=O)C=CC=CC[C@H](O)C=CC=CC=C[C@H](O)CCCC(=O)O 2356652435 CMOJNYRANQREGD-MOPGFXCFSA-N 348.439 3.113 30 1 EGEF Cc1c(C#Cc2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12 26729922 RNWDPCWPACKYHX-UHFFFAOYSA-N 345.398 3.338 30 1 EGEF CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H]1C[C@@H]3C(C)(C)CCC[C@]23C(=O)O1 85908379 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EGEF Cc1cc(O)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587887253 HWRURXVXVBSMNG-UHFFFAOYSA-N 349.217 3.113 30 1 EGEF C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]12CO 1857536585 SVWJFFROLUZTEH-QPMGFXEFSA-N 332.484 3.488 30 1 EGEF N#Cc1c2c(c3nncn3c1SCC(=O)c1ccccc1)CCCC2 66099099 YKPDUXPKXWZKOB-UHFFFAOYSA-N 348.431 3.455 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)NC2CC2)cc1N 587900037 GMERTLDFQKXAMY-UHFFFAOYSA-N 340.810 3.223 30 1 EGEF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CC#N)cc1 587650656 PZDKLVKNLSEANI-UHFFFAOYSA-N 340.404 3.313 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C)ccc1S(C)(=O)=O 587918023 XXYNJWWMYHQSGK-UHFFFAOYSA-N 334.824 3.460 30 1 EGEF CCCNc1nc(C)c([C@]2(C)NCCc3c(C)ccnc32)cc1C#N 963072655 MUHSYGRMWMRHFJ-FQEVSTJZSA-N 335.455 3.196 30 1 EGEF C#Cc1cccc2c1[C@@]1(NCCc3c(Cl)cc(Cl)cc31)C(=O)N2 963106302 KSWHMGPFPGNDGC-GOSISDBHSA-N 343.213 3.316 30 1 EGEF C=C1[C@H]2[C@@H](CO)C[C@@](C(=O)CCc3ccccc3)([C@H]2OC)C1(C)C 2356381519 PSGRNASJIVXJTO-BOFXEDATSA-N 328.452 3.414 30 1 EGEF CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101270508 AXKPRXFZRFZHFB-DBQGFPOUSA-N 339.479 3.273 30 1 EGEF C[C@@]12[C@@H]3CC[C@H]4O[C@]4(C)[C@@]3(C)CC(=O)[C@@]13C(=O)O[C@H](c1ccoc1)[C@@H]32 2356751175 MXCWFIORGFVJPA-DROBUYGGSA-N 342.391 3.047 30 1 EGEF COC(=O)[C@@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@@H]2C)CN1 33913691 MVBWBQNHPLNREC-SPLOXXLWSA-N 339.435 3.147 30 1 EGEF CCC/N=C(\c1ccc(=O)n(CCC)c1)c1ccc(OC)cc1O 45253383 XMYBBKDMGJOEKQ-FMQUCBEESA-N 328.412 3.220 30 1 EGEF N#Cc1cnn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 587527362 UJMIMRVZXFYVSD-GOSISDBHSA-N 344.374 3.186 30 1 EGEF CCCc1c(O)ccc2c1O[C@]1(CCCC(=O)/C1=C\N(C)C)CC2=O 587470294 RSGOGSZVVSMGIC-IZLCOFNUSA-N 343.423 3.247 30 1 EGEF C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1Cl)C(C)(C)C 13806488 CRDMBMUOQXYZAR-XAWGOECBSA-N 331.803 3.066 30 1 EGEF O=c1[nH]c2ccc(C#CCN3CCC(Cc4ccccc4)CC3)cc2o1 13813195 HKUQSTGIJZJZJV-UHFFFAOYSA-N 346.430 3.427 30 1 EGEF CC(C)(S)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O 29128446 GQQVAGJSBUXNTK-INIZCTEOSA-N 343.448 3.174 30 1 EGEF C=C1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@](C)(C(=O)OC)[C@@H]4C[C@@H](O)[C@@]3(C2)[C@@H]1O 2356512348 YQDUZTAKTKFQPP-LADRXCMQSA-N 348.483 3.070 30 1 EGEF C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)([C@@H](O)CC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H]1C3 2356521368 UWEUEOYKRAUFAO-KCCXKHQOSA-N 332.440 3.190 30 1 EGEF COc1cc2c3c(c1O)[C@H]([C@H]1C=CC(=O)CC1)CC[C@@H]3N(C)CC2 2356629766 PNAHATNOKIMNGE-RCBQFDQVSA-N 327.424 3.343 30 1 EGEF O=c1c2cc(/C=N/Nc3ccccn3)ccc2oc2cc(O)cc(O)c12 40976630 NKMNHKJSDATNDH-UFFVCSGVSA-N 347.330 3.198 30 1 EGEF N#Cc1ccccc1SCc1nc2cnc(C(F)(F)F)[nH]c-2n1 586964388 CCQRFLYXWKYJPC-UHFFFAOYSA-N 335.314 3.487 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C(F)F)N1 587717823 GRFPRKDDMFGLFK-WPPNPWJKSA-N 333.151 3.496 30 1 EGEF COC(=O)c1cn2ccc(C#Cc3cc(Cl)ccc3OC)cc2n1 587912529 JRKUCKRZYQAFMI-UHFFFAOYSA-N 340.766 3.183 30 1 EGEF O=C(C1CC1)N1c2ccccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F 14943980 JFMSCRAPNNSNDH-QGZVFWFLSA-N 348.324 3.096 30 1 EGEF O=C(Cc1ccccc1)Nc1ccc2sc(C(=O)NO)cc2c1 28900002 RDENZOCZCDMMTB-UHFFFAOYSA-N 326.377 3.202 30 1 EGEF C=C1C[C@@H]2O[C@@H]2[C@](C)(O)CC[C@@H]2C3=C[C@H](C=C(C)C)O[C@H]3OC[C@H]12 2356802525 SITAZKMSUFRJRQ-ZGXBLHBZSA-N 332.440 3.125 30 1 EGEF C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)C(=O)C=C[C@]3(C)[C@@]2(O)CC1 2356859103 SRDUJXZBMCRZKJ-SLFFLAALSA-N 328.408 3.196 30 1 EGEF CCOC(=O)[C@H]1C/C(=C\C(C)=O)c2cccc(C(F)(F)F)c2O1 13814778 ZWTPKMQITVFHDF-UTSBKAFOSA-N 328.286 3.392 30 1 EGEF CCOC(=O)c1c(N)sc(/N=C/c2ccco2)c1C(=O)OCC 169396260 OZDUHSWFLHXLEU-CAOOACKPSA-N 336.369 3.027 30 1 EGEF O=C(O)CCCOc1ccc(C(=O)/C=C/c2ncc[nH]2)cc1Cl 1857547125 JBXMBTHGBFFUJR-GQCTYLIASA-N 334.759 3.203 30 1 EGEF CCN(CC)c1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1 27429227 DBLOMLCLKJKLEP-CXUHLZMHSA-N 341.363 3.266 30 1 EGEF CC1=CC(=O)[C@H]2[C@H]3[C@H]1[C@@]2(C)[C@H](O)C[C@@H](OC(=O)CC(C)C)C3(C)C 2356460411 UGKBIZLCLHQSKU-KMTMYUDJSA-N 334.456 3.133 30 1 EGEF C[C@]1(C=O)CCC[C@@]2(C)c3cc4c(cc3C(=O)C[C@@H]12)C(=O)C=CC4=O 2356624689 KLQSNFVWXFLFAS-HBMCJLEFSA-N 336.387 3.471 30 1 EGEF CCO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccccc1 38147651 RBMOPDXMDCXDDP-QOCHGBHMSA-N 338.455 3.035 30 1 EGEF CCOC(=O)C1=C[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 49803900 GNDPUFVAMSJOKU-CQSZACIVSA-N 325.408 3.464 30 1 EGEF C=C[C@@](C)(O)C[C@@H](/C=C(\C)[C@@H](CC=C(C)C)OC(C)=O)OC(C)=O 223529715 UISCINGWBCOILB-ZOSOCNKDSA-N 338.444 3.480 30 1 EGEF C[Si](C)(C[C@@](C#N)(Cn1cncn1)c1ccccc1)c1ccccc1 195990731 DYAVEEHWQSXFLI-HXUWFJFHSA-N 346.510 3.355 30 1 EGEF C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(/C)CC[C@H]2O[C@@H]1CC[C@]2(C)O 238785077 DUEYDKGXQKDGHI-DNWCVSNQSA-N 334.456 3.048 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CCC(C)=C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 263636272 DTOFRQNTRKNUMY-XXLSLGMJSA-N 346.423 3.250 30 1 EGEF COC(=O)c1n[nH]c(C2CC2)c1C#Cc1cc(Cl)ccc1OC 587903971 XHPVSIIYEBHKIN-UHFFFAOYSA-N 330.771 3.136 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccn2ncc(C(=O)O)c2c1 587912327 FEXFPDQVSRERJE-UHFFFAOYSA-N 326.739 3.094 30 1 EGEF COc1cccc(-c2n[nH]c3c2[C@@H](c2ccoc2)[C@@H](C#N)C(=N)O3)c1 169688358 IZDURIQMUBTERE-KGLIPLIRSA-N 334.335 3.320 30 1 EGEF C#CCN(CCOc1ccc2ccc(=O)oc2c1)Cc1ccccc1 1857645859 LPZWHIHDTJSILA-UHFFFAOYSA-N 333.387 3.307 30 1 EGEF C=C1CCC2=C(C)CO[C@@H]2C=C(C)CC[C@H](O)[C@](C)(O)CC[C@H]1O 2356523425 RAUBSCWQZYSZOV-YSTOQKLRSA-N 336.472 3.031 30 1 EGEF C=C1C[C@H](O)[C@@H]2C(C)=C(O)C(=O)C[C@]2(C)[C@@H]1CCC(C)=CC(=O)O 2356837820 LNJOHJISIGCYCQ-MCPREKNCSA-N 334.412 3.162 30 1 EGEF C[C@]12C=C/C(=N\O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]2(C)O 1911570474 BVURXQKHASTJIL-YMCWZVJBSA-N 331.456 3.277 30 1 EGEF COc1cc(/C=N/NC(=S)Nc2ccc(Cl)cc2)ccc1O 40848016 JXEGNNMAFSIRBZ-RQZCQDPDSA-N 335.816 3.375 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](O)C1=O 238751247 OYZPDCNJODPOBW-XGJDOYHQSA-N 334.456 3.443 30 1 EGEF CN(C)C(=O)[C@]1(C)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963196022 QAPVNXPKERIJBL-FPOVZHCZSA-N 333.435 3.113 30 1 EGEF C=CCOc1ccc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963016007 BSJHCHKUKFMKDS-QVKFZJNVSA-N 334.419 3.394 30 1 EGEF CC1(C)CC(=O)C(C2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)C1 100836884 KACJILXRDXHVHH-UHFFFAOYSA-N 330.767 3.133 30 1 EGEF C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2[C@@H](O)CO 2356603765 JBBQODJWAVJGOY-BPSSIEEOSA-N 330.468 3.264 30 1 EGEF CN1C(=O)c2c3c(cc4cccc1c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biogenic C=C(C(C)=O)[C@@H]1C[C@@H]2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@]3(O)CC[C@@]2(C)O1 473089911 MTZHGGSCKVDXDP-BRMIGGSTSA-N 336.472 3.008 30 1 EGEF C[C@@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175479 ZESWCGBNTXVTLC-IBGZPJMESA-N 346.321 3.074 30 1 EGEF C#CCOc1cc(C)ccc1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963015368 AUHXGBGOHVUGPU-QRQCRPRQSA-N 346.430 3.150 30 1 EGEF COc1cccc(/C=C/C(=O)c2ccc(OCC3=NCCO3)cc2)c1 1772632770 HPGIYGVBPGVEOQ-BJMVGYQFSA-N 337.375 3.399 30 1 EGEF C#CCN(C)C[C@@H]1O[C@H](C2CCCCC2)Cc2c1ccc(O)c2O 13823844 ORJBNDRHLGFVFW-OALUTQOASA-N 329.440 3.226 30 1 EGEF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCCCC4)[C@H]3[C@H]3O[C@@]132 103949782 GNFFPCUYQGMTPA-PZVKIFLGSA-N 347.499 3.388 30 1 EGEF O=C(O)C1=C(Nc2ccc(Cl)cc2F)C(=O)c2ccccc2C1=O 102988740 WLPIKBMUOZLWFV-UHFFFAOYSA-N 345.713 3.309 30 1 EGEF CC[C@H](O)C=CC=CCC=C[C@@H]1[C@H]([C@@H]2CCCC(=O)O2)C[C@@H]2O[C@@H]21 2356744355 YFHYWHWBWQBXAP-UNXYRHIYSA-N 332.440 3.315 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(NC(C)(C)CO)nc1 587908241 OHADNJIWVWEAGT-UHFFFAOYSA-N 330.815 3.326 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)nc2)N1 587769970 HEJNOYQSGFTBGZ-XXFAHNHDSA-N 346.203 3.478 30 1 EGEF COc1ccc(C=NN=C2NC(=O)C(=Cc3ccccc3)S2)cc1 2356305039 MIPHSSRCMBIVGB-UHFFFAOYSA-N 337.404 3.289 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CC=C[C@](C)(O)CC[C@@H]3O[C@@]3(C)CC[C@H]12 2356664665 FTWOERARESUNOJ-JOMPHRNESA-N 332.440 3.459 30 1 EGEF CC(C)(C)OC(=O)Nc1cccc(-c2csc(N=C(N)N)n2)c1 45192868 JRCBLUHZNIIEMJ-UHFFFAOYSA-N 333.417 3.062 30 1 EGEF COc1c2c(cc3c1COC3=O)O[C@@](C)(CC(=O)C=C(C)C)CC2 238779310 OCHCNUKKKNZUFY-LJQANCHMSA-N 330.380 3.375 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(F)cc1-c1n[nH]c(=N)o1 587916833 SBKYRKVDYIWVHV-UHFFFAOYSA-N 343.745 3.350 30 1 EGEF COc1ncccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880616 UNPZBEUBVWJHGL-UHFFFAOYSA-N 349.217 3.107 30 1 EGEF Cc1ccnc(-c2cc(Nc3ccn(C)n3)nc3[nH]cc(C#N)c23)c1 1772571934 KHKRFJYVEXEHDS-UHFFFAOYSA-N 329.367 3.282 30 1 EGEF N#C[C@@H](c1nc2ccccc2[nH]1)c1nc(Cl)ncc1Br 169718881 VLLRGQWGWAHPHX-SSDOTTSWSA-N 348.591 3.424 30 1 EGEF Cc1ccc(S(=O)(=O)N2C=CC(=O)C[C@H]2c2cccs2)cc1 206062324 UIMIDMJDENIRAH-HNNXBMFYSA-N 333.434 3.275 30 3 EGEF COc1ccccc1C=CC(=O)c1c(O)cc(O)c(OC)c1OC 2356456783 QGFIMWDJZRAYAE-UHFFFAOYSA-N 330.336 3.020 30 1 EGEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C/C/C=C(/C)CC[C@H]2O 238788444 OASCGMGKXPPAEW-LFVGRWIJSA-N 334.456 3.443 30 1 EGEF C=CCN1C(=O)S[C@@H](Cc2nc3ccc(OC(C)C)cc3[nH]2)C1=O 587038506 JXMHNHOJODFSQJ-AWEZNQCLSA-N 345.424 3.143 30 1 EGEF C[C@H](C#N)C[C@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962663228 JJGBMSBVPMJKAX-SVIJTADQSA-N 337.423 3.098 30 1 EGEF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CCC2=CCO 2356390845 FIMYJWIQTVIDQB-AUYGFBLUSA-N 328.452 3.184 30 1 EGEF CCCCn1c(N/N=C/c2cccc(O)c2)nc2ccccc2c1=O 103169972 JUTBPDYRPVWWCT-DEDYPNTBSA-N 336.395 3.348 30 1 EGEF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCCCC4)[C@H]3[C@@H]3O[C@]132 103949777 GNFFPCUYQGMTPA-WQUGUCIPSA-N 347.499 3.388 30 1 EGEF CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=[N+](/C)[O-] 101122682 QICWAISYJVZZOZ-XUTLUUPISA-N 337.375 3.003 30 1 EGEF CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(OCC3CC3)nc2)cc1 113412048 GAVVYLVWPIXGOT-INIZCTEOSA-N 348.446 3.337 30 1 EGEF C=C1[C@H]2CC[C@H]3[C@](CC[C@@H]4[C@@H](CO)C[C@@H](OC(C)=O)C[C@]43C)(C2)[C@H]1O 2356835029 KNIWPJFFKYTHNW-SWSIEINOSA-N 348.483 3.070 30 1 EGEF N#CCCN(Cc1coc(-c2cccc(F)c2)n1)C[C@@H]1CCCO1 72102827 MPRFOJZXLPMBSE-KRWDZBQOSA-N 329.375 3.375 30 1 EGEF O=C(NO)c1ccccc1-c1ccccc1C(=O)Nc1ccccn1 96269504 AOIWZUGRFOOAPY-UHFFFAOYSA-N 333.347 3.120 30 1 EGEF CCOc1cc(OC[C@@H]2CO2)cc2oc3c(OC)cccc3c(=O)c12 1772583199 TYFCQNLBZUIORH-GFCCVEGCSA-N 342.347 3.131 30 1 EGEF N#C[C@H]1C(=N)OC2=C(C(=O)N[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 169724150 GFBLCEMDXOXZMD-SOLBZPMBSA-N 343.386 3.433 30 1 EGEF C=C[C@@](C)(O)C/C=C/[C@]1(C)CC[C@@H]([C@@](C)(O)CC(=O)C=C(C)C)O1 207657953 HYSXHSFJFJWWOB-PKUVGDCXSA-N 336.472 3.484 30 1 EGEF COc1ccccc1-c1ccc2c(Cl)cnc(N=C(N)N)c2c1 3930132 RJODTPBPYVAHPU-UHFFFAOYSA-N 326.787 3.469 30 1 EGEF COc1ccc(-c2cc(-c3ccccc3O)[nH]c(=O)c2C#N)c(OC)c1 29556933 IWTRPHODALUEKR-UHFFFAOYSA-N 348.358 3.303 30 1 EGEF CO/N=C1C(=C2/C(=O)Nc3ccc(F)cc32)/Nc2cc(F)c(F)cc2/1 299856128 CDFZYFGTWPFKKT-CPXQZVORSA-N 345.280 3.243 30 1 EGEF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C#N)cc(Cl)c2[nH]1 586960349 BGHLWMZGZCKMOE-LURJTMIESA-N 346.803 3.019 30 1 EGEF N#Cc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F 587142755 BRUCPPPVBINFRS-UHFFFAOYSA-N 336.370 3.073 30 1 EGEF O=C(NO)c1ccc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 169254821 WEZUWBUJRJCUNX-OAHLLOKOSA-N 331.803 3.150 30 1 EGEF C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(C)CC/C=C(/C)CC/C=C(\C)[C@H]2O 169298976 HVJGVUTXXJGUKC-XVOMBKGHSA-N 332.440 3.459 30 1 EGEF CC1=C(Cl)C(O)=CC(=O)[C@@]12Oc1cc(O)c(Cl)c(C)c1C2=O 3979047 SLAVHURDNZJSIH-HNNXBMFYSA-N 341.146 3.205 30 1 EGEF in-vitro C[C@@H](CS)C(=O)N(CC(=O)O)[C@@H]1CCCC[C@@H]1c1ccccc1 28260246 MXVGENQUBZJOOE-NUEKZKHPSA-N 335.469 3.192 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(C)[C@H](OC(=O)[C@H](C)CC)C[C@H]12 2356449786 YGMRPCQPDPKSBZ-QBEJLAKLSA-N 348.439 3.330 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](CF)(C(=O)O1)[C@H]2[C@@H]3C(=O)O 2356772941 MOQRYJUIYPNVBO-ZWEXEDQSSA-N 334.387 3.115 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)N(C)C)c(O)c1 587903573 JZRLCJURGSIHAT-UHFFFAOYSA-N 329.783 3.156 30 1 EGEF Cc1ccc(-n2[nH]c(C)c(/C=N/c3ccc([N+](=O)[O-])cc3)c2=O)cc1 169686844 YEDWJWCMVVPWBC-YBFXNURJSA-N 336.351 3.441 30 1 EGEF CCCCCCCCCC[C@H](C(=O)O)[C@@]1(C(=O)OC)CCC(=O)O1 2356498914 MOQSEPITIGAHKF-RDTXWAMCSA-N 342.432 3.467 30 1 EGEF CC(C)N(C(=O)COc1ccc(N2C=CC(=O)C[C@@H]2C)cc1)C(C)C 28822204 PHBADEREQKCJBI-INIZCTEOSA-N 344.455 3.392 30 1 EGEF CC=C(C)C(=O)O[C@@H]1CC(C)=CCC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]12 2356630175 FKJVDTHEVUYSKQ-RBGCFLLDSA-N 348.439 3.330 30 1 EGEF N#CCNC(=O)[C@H](CC1CCCCC1)NC(=O)OCC1CCCCC1 82064563 IZTHVHCKYOGVMV-KRWDZBQOSA-N 349.475 3.272 30 1 EGEF C=CCNC(=O)c1ccc2c(c1)N=CN(CCOc1ccccc1)C2 49710650 FZRHEZGMWHDIKL-UHFFFAOYSA-N 335.407 3.157 30 1 EGEF CC(C)=CC[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)C[C@H](C)O[C@@]431)C2=O 195411581 REMHECGSDXLQKX-LKHQYBHASA-N 330.424 3.152 30 1 EGEF O=C1C=C[C@@]2(C=C1Cl)OC[C@H](c1ccc(Br)cc1)O2 96916784 PVIYZFTVSXTWBB-ZIAGYGMSSA-N 341.588 3.495 30 1 EGEF COc1cc2c3c(c1)O[C@H](c1ccc(C#CC(C)(C)O)cc1)[C@@H](C2)C3=O 587451767 RIMHMHMUUGORQN-LAUBAEHRSA-N 348.398 3.306 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cnc(Br)n1C 587911846 UNSQLCHCRFSIKR-UHFFFAOYSA-N 325.593 3.244 30 1 EGEF CC=Cc1ccc2n(c1=O)C[C@H]1C[C@H]2CN(Cc2cccc(C#N)c2)C1 2356309493 LWKPTMYDKUVYCL-ICSRJNTNSA-N 345.446 3.372 30 1 EGEF N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)sc1=O 3801012 GJNPAEKHAXQRGV-UHFFFAOYSA-N 337.404 3.464 30 1 EGEF C=C[C@@H]1C(C)(C)C(=O)[C@H]2C[C@@]1(C)[C@H]([C@@H]1CC(=CC)C(=O)O1)[C@@]2(C)O 2356488282 HFDDHJXHLBUPOC-OAAASAAISA-N 332.440 3.053 30 1 EGEF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(CO)O[C@H]31 238787460 HBKMARFBPBPXIX-QGCCXLTRSA-N 348.483 3.312 30 1 EGEF CCn1cc(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc21 299866532 WCOKYGLNANNIJT-UHFFFAOYSA-N 334.379 3.222 30 1 EGEF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C#N)cc2[nH]1 586963432 NTXUAKINHDFPLM-CYBMUJFWSA-N 325.397 3.482 30 1 EGEF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)n(C)c2)N1 587757370 VBEOGDUKZDYCLE-FVMDXXJSSA-N 348.219 3.422 30 1 EGEF Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587887207 FOWZRDCONDEXHN-UHFFFAOYSA-N 333.218 3.407 30 1 EGEF C#CCn1cccc1[C@H]1c2cccc(Br)c2CCN1C 963270580 PQFXCIZUEUOURS-QGZVFWFLSA-N 329.241 3.461 30 1 EGEF CCOC(=O)c1sc(N/N=C/c2ccc(O)c(OCC)c2)nc1C 5712204 YWBLWVLNQAPCMK-RQZCQDPDSA-N 349.412 3.179 30 1 EGEF CCC/C(=N\OCC)C1C(=O)CC([C@@H]2CCCSC2)CC1=O 169717740 GOJRHLKLWMSXMB-BYEPPCQKSA-N 325.474 3.487 30 1 EGEF C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(C#N)c4)cc3c21 28902066 BWMYAAGVSXHFLF-NSHDSACASA-N 344.374 3.139 30 1 EGEF C=CCN1CC[C@@]23CC(=O)C[C@@H](C)[C@H]2[C@H]1Cc1ccc(OC)cc13 101481090 VFXSXBAGAAWZPC-PLBGURBNSA-N 325.452 3.365 30 1 EGEF O=C(CCCS)N1CCN(Cc2cccc3ccccc23)CC1 64746685 KGVPRVVVECAVEV-UHFFFAOYSA-N 328.481 3.194 30 1 EGEF in-vitro C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(C)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356615741 IZTIJXKODZYJIM-ZPFYTHJMSA-N 346.423 3.250 30 1 EGEF CC#Cc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1OC)[C@@H](C)O2 38329812 ULNUXOQRWYVCCY-ADLMAVQZSA-N 326.348 3.379 30 1 EGEF biogenic,in-vitro C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 238746370 QFINJHBXXJQKPB-XVWOKWCQSA-N 346.423 3.010 30 1 EGEF biogenic COc1cccc(/C=C\C(=O)c2c(O)cc(OC)c(OC)c2OC)c1 95913984 SLWWZJVAKSCKGD-HJWRWDBZSA-N 344.363 3.323 30 1 EGEF biogenic,in-vitro CCc1ccc(-n2cc(Cn3cc(/C=N/O)c4cccnc43)nn2)cc1 653704594 IYRQRNWQSASSDT-UFFVCSGVSA-N 346.394 3.036 30 1 EGEF CCNC(=O)Cc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587905725 GCCJFISEENDPJN-UHFFFAOYSA-N 327.811 3.427 30 1 EGEF COC(=O)C[C@H](C)Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587783652 YIHWFRADDXGGOJ-MRVPVSSYSA-N 325.290 3.195 30 1 EGEF O=C1C=Cc2c3c(c4ccc(O)c5c4c2C=CC5=O)[C@@H](O)CC(O)=C13 2356342462 BAVNHBKPLXSVSJ-AWEZNQCLSA-N 332.311 3.057 30 1 EGEF COc1ccc(Oc2ncccc2/C(=N/O)NCc2ccco2)cc1 72183120 OPPPNNOPLVDFAB-UHFFFAOYSA-N 339.351 3.401 30 1 EGEF CC1=C(CCO)C(=O)C(O)=C2C1=CC(=O)[C@H]1C(C)(C)CCC[C@]21C 85970841 HAYDAXBKYUCVMG-AZUAARDMSA-N 330.424 3.422 30 1 EGEF C=C[C@H]1C(C)(C)C(=O)[C@H]2C[C@]1(C)[C@H]1[C@H]3OC(=O)/C(=C/C)[C@H]3O[C@@]21C 238769506 WYOPVCJAKMHFLL-CZHORHAJSA-N 330.424 3.069 30 1 EGEF CCOC(=O)C/N=C1/N[C@@H](c2ccccc2)N(c2ccccc2)S1 653794508 LODAZLPGTRMIGQ-QGZVFWFLSA-N 341.436 3.362 30 1 EGEF N=C(N)N/N=C/c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1772585329 WJTIVCYUEUILGH-YKNXMEGYSA-N 326.787 3.053 30 1 EGEF O=S(=O)(CC#CCCCCC#CCO)c1cccc2ccccc12 26670493 HAMZHJYLRZPAAB-UHFFFAOYSA-N 340.444 3.173 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)CC(C)C)C=C(C)CCC=C(C)[C@H]2O 2356679258 MNHSQYVNGHDFEY-KANFNMMFSA-N 348.439 3.089 30 1 EGEF O/N=C(\NCC1CCCCC1)c1cccnc1OCC(F)(F)F 72181792 DVIVYEQZHKAJAV-UHFFFAOYSA-N 331.338 3.328 30 1 EGEF CCCCCCCCN/C(NCc1ccc(O)c(OC)c1)=[S+]\C 43800090 XEDCVXMWYZFIRE-UHFFFAOYSA-O 339.525 3.240 30 1 EGEF C[C@@H]1C(=O)C[C@@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@]12C[C@H](c1ccoc1)OC2=O 238738135 QUNHCTKZXLTVQZ-VBCWGVRKSA-N 344.407 3.437 30 1 EGEF N#CC1(C#N)c2c([nH]c3ccccc23)O[C@@H]2c3ccccc3C(=O)[C@@H]21 231376711 WIXKBVZEUXXNDG-FUHWJXTLSA-N 325.327 3.399 30 1 EGEF C=C(C(=O)OCC)[C@H](OCCC(=O)OCC)c1ccccc1Cl 299835663 MIJRCKMJMFQKHA-INIZCTEOSA-N 340.803 3.470 30 1 EGEF C[C@H]1CC/C(=N\N=C2/SCC(=O)N2Cc2ccc([N+](=O)[O-])cc2)C1 653796411 MOAGDYLEMPJRMD-NQMDYRIASA-N 346.412 3.202 30 1 EGEF COc1ccc(CC(=O)O)c(C#Cc2cc(Cl)ccc2OC)c1 587901844 WFCCFYZTIQSEPS-UHFFFAOYSA-N 330.767 3.384 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc(C)c1N 587903461 GKGWOGBKJSQCRS-UHFFFAOYSA-N 329.783 3.426 30 1 EGEF C/C(NN1C(=O)c2ccccc2N[C@@H]1c1ccco1)=C1/C=CC=CC1=O 100483187 MPTBXTGWRUCGPJ-KQDNUWKFSA-N 347.374 3.320 30 3 EGEF C=C(CCC=C1C[C@@H](C=C(C)C)OC1=O)[C@@H](O)CCC1=CC(=O)OC1 2356536703 QSKKGQVXKWAQQS-MSOLQXFVSA-N 346.423 3.155 30 1 EGEF COc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(CO)o2)cc1 45498053 MYPWTQWJYCUBKG-WVNGBEFXSA-N 326.348 3.035 30 1 EGEF CC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(C#N)cc12 49048257 GSKBZNIDWBCUIG-UHFFFAOYSA-N 338.388 3.261 30 1 EGEF Nc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878849 BDAIGMLMAPCUHK-UHFFFAOYSA-N 333.218 3.286 30 1 EGEF C[C@]12C(=O)C=C(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)CCO 12493753 RJKJQHWLCLYSHD-QWIARPPBSA-N 348.483 3.373 30 1 EGEF endogenous,in-man C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 155827049 ITWYQAIFKHRKRR-UZBNBYQXSA-N 346.423 3.011 30 1 EGEF biogenic CC1=C2C(=O)C3=CC(C)(C)N=C4CC(C)(C)C[C@@]2(CC(C)(C)N1)[C@]34O 1857630824 FLTZLWRXMQFEQB-SFTDATJTSA-N 342.483 3.312 30 1 EGEF CC[C@@H](Oc1ccc(Cl)cc1)C(=O)OCC#CCN(CC)CC 29463829 LJYBNXFFKLEGQG-QGZVFWFLSA-N 337.847 3.386 30 1 EGEF CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\[C@@H]1CCc2ccccc2C1 100756582 FZBNCKSYTXWVCT-QPPTYYCLSA-N 337.419 3.147 30 1 EGEF Cc1ccsc1/C=C/C(=O)c1cccc(O)c1CN1CCOCC1 40918602 IMQAXOLKAFTVKX-AATRIKPKSA-N 343.448 3.490 30 1 EGEF C=CCC1=CC2=C(OC)[C@H](C1=O)[C@]2(C)[C@H](O)c1ccc2c(c1)OCO2 45385911 NOXNHMNKQIHADP-PWIZWCRZSA-N 340.375 3.071 30 1 EGEF COc1cc2c3c(c1)O[C@H](c1c(F)ccc(C#N)c1F)[C@@H](C2)C3=O 587422943 HBXTUHLYSIXRDY-VOJFVSQTSA-N 327.286 3.334 30 1 EGEF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC#N 587385480 DDGMDSYIDSQAPS-QGZVFWFLSA-N 338.363 3.195 30 1 EGEF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)CC1(C#N)CCOCC1 963637566 SPVATEHTQKSJRB-LIRRHRJNSA-N 344.455 3.164 30 1 EGEF C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@@H](O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C 1857755465 XJRDNPCCVATLQC-FPXLNXTJSA-N 332.440 3.363 30 1 EGEF C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCC1=CC(=O)O[C@H]1O 2356336975 OXOZFUWMJVKNFD-XXECKMAJSA-N 334.456 3.338 30 1 EGEF N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4207537 CFGCPHPJWCZDQM-GDBMZVCRSA-N 343.770 3.055 30 1 EGEF CC1=CC=C(C(C)C)C(=O)[C@H](O)[C@@H](C)CCC(=O)C(CO)=CCC1 2356561892 IVLQHBCLTSYTPN-HNAYVOBHSA-N 334.456 3.143 30 1 EGEF CCCCCCCC(=O)O[C@H]1C[C@H]2C[C@H](OC(C)=O)[C@@H](C1)N2C 43482259 GEBXVKMFYZIRIJ-NXOAAHMSSA-N 325.449 3.057 30 1 EGEF COc1ccc(/C(=N/C(C)C)c2ccc(=O)n(C(C)C)c2)c(O)c1 45260423 KZCIKXXHXRIVFY-FMQUCBEESA-N 328.412 3.389 30 1 EGEF CCc1c(C)[nH]c2c1/C(=N/OC(=O)NCCc1cccnc1)CCC2 40575921 FRDHUVIJKSQWJP-HAVVHWLPSA-N 340.427 3.290 30 1 EGEF C=C[C@]1(C)CC[C@]2(C)[C@@H](C1)C(=O)[C@@H](O)[C@@H]1[C@]3(C)CCC[C@@]12OC3=O 40933717 LLZLGNRWPHGJGY-VSKBKUQMSA-N 332.440 3.031 30 1 EGEF CC(C)C1=CC2=CC(=O)[C@H]3C(C)(C)C[C@H](O)C[C@]3(C)C2=C(O)C1=O 86004505 FIESVRCENWHNFP-FOPRYUNUSA-N 330.424 3.276 30 1 EGEF C=C1C[C@]23C[C@H]1CC(=O)[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 238747846 MNWSIPXSEQTSPP-PYTTZVDDSA-N 346.423 3.140 30 1 EGEF COc1cc2c(cc1OC)[C@@H]1C/C(=N\O)[C@@H]3CCCC[C@H]3N1CC2 606576651 CADPBCPVJBOUEG-CTUSJDAWSA-N 330.428 3.396 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c2oc(=N)[nH]c2c1 587907865 WDMVYRKYBXKNRD-UHFFFAOYSA-N 342.738 3.000 30 1 EGEF N=c1[nH]ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 586908648 CNAMYUBGARGFOQ-KRWDZBQOSA-N 342.443 3.020 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c(OC)cc1OC 587900591 NOFAJLURKAWWAE-UHFFFAOYSA-N 346.766 3.464 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1[C@H](N)CC(=O)O 587901800 TXAPZXXENWCZSR-MRXNPFEDSA-N 329.783 3.223 30 1 EGEF COc1cccnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587888790 AOLBUHPXRPVRNI-UHFFFAOYSA-N 349.217 3.107 30 1 EGEF N#Cc1ccc(OCc2nc3cncc(Br)c3[nH]2)cc1 587191752 XCOOWFVWIPEINL-UHFFFAOYSA-N 329.157 3.171 30 1 EGEF O=C1C2=C(c3ccccc31)[C@@H](c1cccc(Cl)c1)NC(=S)N2 17211114 AHJDWGICCNYELV-CQSZACIVSA-N 326.808 3.466 30 1 EGEF CCCc1[nH]nc2c1[C@@H](c1cc(OC)cc(OC)c1)[C@@H](C#N)C(=N)O2 169690852 ZWQSEOOXWUDWCC-HIFRSBDPSA-N 340.383 3.021 30 1 EGEF Cc1ccc/c(=N/S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)[nH]1 40973124 OWYWZVRZIUBCOM-UHFFFAOYSA-N 349.415 3.151 30 1 EGEF COc1cccc(-c2cnc3c(N/N=C/c4ccncc4)[nH]cnc2-3)c1 102876168 JTFCRIATVUVEIW-YSURURNPSA-N 344.378 3.426 30 1 EGEF C=CCN1N=C(c2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C1=O 26572552 WIOFCDPOPOOQNI-HUUCEWRRSA-N 328.412 3.243 30 1 EGEF CCCCCCCC[C@H](O)[C@@H](O)C=C[C@@H](O)CCCCC(=O)O 2356498828 KFPLVZLISLBBSJ-ULQDDVLXSA-N 330.465 3.021 30 1 EGEF C=C(C)[C@@H]1C[C@H](OC(=O)C(C)=CC)[C@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C 2356607752 PRZHJEFHHOMZQJ-RVZUANDWSA-N 332.440 3.363 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)C[C@H](O)/C=C(\C)CC/C=C(\C)C[C@H](O)[C@H]12 38783735 KKAPMISEUVNCQQ-HCEQOZIZSA-N 332.440 3.219 30 1 EGEF CCCCCCCCCOC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 43273682 NVKXGLKOMOGLKI-HNNXBMFYSA-O 332.461 3.440 30 1 EGEF CCOC(=O)C1=C[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 49803901 GNDPUFVAMSJOKU-AWEZNQCLSA-N 325.408 3.464 30 1 EGEF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C#N)cc3)c2)cc1 84714465 CZEGCQZTDUKTJP-UHFFFAOYSA-N 349.415 3.273 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@H](O)[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 238764380 OMDUJIAGTIZPFC-KBVWNLITSA-N 346.423 3.010 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc(C)c2c(c1)C(=O)C(=O)N2 587907885 RGRMUWUMGOBTBJ-UHFFFAOYSA-N 325.751 3.192 30 1 EGEF C=C[C@]1(C)C[C@@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@@H]2C[C@@H]1O 2356775785 BMNMZWYECBBAJT-MXLMCZCFSA-N 327.424 3.308 30 1 EGEF C=CCNC(=O)C[C@@H]1CCN(C(=O)NC2CCCCC2)C[C@@H]1CC 5415172 WUGGMLYSVLEWCY-HOTGVXAUSA-N 335.492 3.069 30 1 EGEF biogenic C=C1[C@@H](O)C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C/C=C1\CCOC1=O 238772682 XDMURUTWTFRCDW-JOPOXBGTSA-N 332.440 3.198 30 1 EGEF CCC(CC)(CCC#N)[C@@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963467839 HSASUCGDIMFTCQ-WMLDXEAASA-N 330.428 3.451 30 1 EGEF O=C1C=CC(Cl)=C/C1=C1\C=C(c2cccc(Br)c2)NN1 100490185 IAYPNVZJVSIKOX-OWBHPGMISA-N 349.615 3.414 30 3 EGEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 100899519 QFINJHBXXJQKPB-YVRWQVCISA-N 346.423 3.010 30 1 EGEF in-vitro N#CC1(C#N)c2c([nH]c3ccccc23)O[C@H]2c3ccccc3C(=O)[C@@H]21 231376736 WIXKBVZEUXXNDG-WMZOPIPTSA-N 325.327 3.399 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H](O)/C=C(\C)[C@@H](OC(=O)/C(C)=C\C)C[C@@H]12 238770202 JMTACQPPCMADFS-MLDSSULZSA-N 346.423 3.010 30 1 EGEF COC(=O)c1cccn2cc(C#Cc3cc(Cl)ccc3OC)nc12 587913073 GSHPCYUBJNZTGH-UHFFFAOYSA-N 340.766 3.183 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc(CCNC(C)=O)cc1 587905680 DPLKHEKSJDGPAL-UHFFFAOYSA-N 327.811 3.427 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2nnn(C)c2c(F)c1F 587917321 GBERQVVRAOGIRU-UHFFFAOYSA-N 333.725 3.308 30 1 EGEF Cc1ccc(N(C)Cc2cc(N3CCN(C)CC3)ccc2C#N)cc1 1911584594 HOEPJJTZZOTDOH-UHFFFAOYSA-N 334.467 3.255 30 1 EGEF N#Cc1c(-c2ccccc2)[n+](=O)c2ccc(C(F)(F)F)cc2n1O 139328406 GFCQUHNLDRHRMX-UHFFFAOYSA-N 332.261 3.351 30 1 EGEF COC1=C2C(C)(C)C(=O)CC[C@@]2(C)c2c(cc(C)c(O)c2O)C1=O 238758571 QDMLESNBLDNWHL-IBGZPJMESA-N 330.380 3.150 30 1 EGEF C[C@H](O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 95910689 OVQSVMZESAVYPN-CDKHJTLQSA-N 332.484 3.486 30 1 EGEF endogenous,in-man COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c(F)c([N+](=O)[O-])c1 587915195 KDSGSZUOOHDIEK-UHFFFAOYSA-N 349.701 3.494 30 1 EGEF Cc1onc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C 587890663 QBHLSAPWILLBSK-UHFFFAOYSA-N 337.206 3.309 30 1 EGEF C=CCN1C(=O)S[C@H](Cc2nc3cc(C)c(Cl)cc3[nH]2)C1=O 587037987 BQLLPXHLHUYLMW-GFCCVEGCSA-N 335.816 3.317 30 1 EGEF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3F)c(C#N)c2c1 587648756 ANGHDNSVJFZESC-UHFFFAOYSA-N 332.331 3.388 30 1 EGEF O=C1C=CN(CCc2c[nH]c3ccccc23)C(=O)[C@H]1Cc1ccccc1 957743188 BLHAGWGTFNOXFH-IBGZPJMESA-N 344.414 3.494 30 1 EGEF NC1=C(C(=O)c2ccccc2)[C@@H](c2cccnc2)c2ccc(O)cc2O1 103253042 CYJMARWTOIZZRP-SFHVURJKSA-N 344.370 3.365 30 1 EGEF CCCCCCCC(=O)C[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)O 2356596246 IBUAVAYGESTICD-UMVBOHGHSA-N 341.473 3.069 30 1 EGEF C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)CC(C)C)C=C(C)CCC=C(C)[C@H]2O 2356679259 MNHSQYVNGHDFEY-LULLPPNCSA-N 348.439 3.089 30 1 EGEF O[C@]1(C#Cc2ccc(OCc3ccccc3)cc2)CN2CCC1CC2 40408292 YFCLBTGNURKPPX-JOCHJYFZSA-N 333.431 3.074 30 1 EGEF N#Cc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005799 TXEMTBIRALOPDY-UHFFFAOYSA-N 334.564 3.307 30 1 EGEF N#Cc1ccc(-c2ccc3ncnc(N[C@@H]4CCCNC4)c3c2)cc1 167135189 SRZVWXWGGCOYCF-QGZVFWFLSA-N 329.407 3.332 30 1 EGEF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3C=O 2356346771 YMDYUWHAQBYOMU-AJHBJYRYSA-N 332.440 3.046 30 1 EGEF CC(C)CC1=C(Br)c2nc3ccccn3c2C(=O)C1=O 103275977 FVUBKPQWWBEGTP-UHFFFAOYSA-N 333.185 3.252 30 1 EGEF C=C1[C@@H]2CC(=O)C(=CC)[C@@H]2[C@H](C(C)C)[C@H](O)[C@@H]1OC(=O)C=C(C)C 2356594137 JVHNNPVCABIONL-QOOKETHRSA-N 332.440 3.219 30 1 EGEF C=C1CC[C@@H]2C(=CC=CC(C)(C)O)COC(=O)[C@H]2C(=C)CC[C@H]1O 2356712647 JSQQYBKNOUUYPJ-KURKYZTESA-N 332.440 3.076 30 1 EGEF C[C@]12CC[C@H]3[C@@H](C/C(=N/O)[C@H]4C/C(=N\O)CC[C@@]43C)[C@@H]1CCC(=O)N2 71341355 WWRFWQRYZRAEGQ-QHBJRYKYSA-N 347.459 3.168 30 1 EGEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C/C/C=C(\C)CC[C@H]2O 238788442 OASCGMGKXPPAEW-QJKLBHDVSA-N 334.456 3.443 30 1 EGEF C=CC[C@@]12CCN(CC3CCC3)[C@@H](Cc3ccc(O)cc31)[C@]2(C)O 169347121 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CADPBCPVJBOUEG-YYXAMEHXSA-N 330.428 3.396 30 1 EGEF CCCc1c(O)ccc2c1O[C@](CC)([C@H](C#N)C(=O)OCC)CC2=O 587470910 WWIXIIDMOWVBTA-KUHUBIRLSA-N 345.395 3.162 30 1 EGEF CN(C)c1ccc(/C=C/C(=O)c2c(O)oc3ccccc3c2=O)cc1 13130047 QKSPWFPAPSSNHJ-FMIVXFBMSA-N 335.359 3.461 30 1 EGEF CC1=C(CSC(=S)N2CCCC2)C(=O)c2ccccc2C1=O 1857752912 GSTCHXNHYZGZJZ-UHFFFAOYSA-N 331.462 3.496 30 1 EGEF C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)C(=O)C=C(C)C(=O)C1 2356490143 YEBDNBDBHUUVGR-ZMYBRWDISA-N 328.408 3.491 30 1 EGEF CC(C)C1=CC2=C(C(=O)C1=O)[C@@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3=O 299815987 MWAYCDXOVYWQPR-LAPQFRIASA-N 328.408 3.159 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc2ncnc(C(=O)O)c2c1 587908562 AZXCPNUITNGRDD-UHFFFAOYSA-N 338.750 3.390 30 1 EGEF CCON/C(C)=C1/C(=O)C=C(c2ccccc2)N(c2ccccc2)C1=O 103919625 HDIKQSCDCADOJR-HKWRFOASSA-N 348.402 3.459 30 3 EGEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C3=C(C)C=CC(=O)[C@@]3(C)CC[C@H]21 2356537940 LYOAWHWPLHHFLL-ACSHBGDTSA-N 344.407 3.052 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc2c1C[C@H](C)NC2=O 587911087 HNHPFCDCUADBRA-LBPRGKRZSA-N 325.795 3.423 30 1 EGEF COC(=O)Cc1ccccc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 587783361 PWDINVQQSSCCIO-UHFFFAOYSA-N 325.755 3.470 30 1 EGEF CCCc1c(O)ccc2c1O[C@@]1(CCCC(=O)/C1=C\N(C)C)CC2=O 587470293 RSGOGSZVVSMGIC-IURSYISVSA-N 343.423 3.247 30 1 EGEF N#Cc1c(N/C=C2\C=CC(=O)C=C2O)sc2c1C1CCN2CC1 13126857 RBMOLXNVFPPXCU-PKNBQFBNSA-N 325.393 3.194 30 3 EGEF C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C=C[C@]2(C)[C@@H](C(=O)CO)CC[C@H]12 1857536019 PQNWXGPSXYSRRL-FJEWGBTGSA-N 328.452 3.472 30 1 EGEF CNC(=O)/C(=N\OC)c1ccccc1COc1ccc(Cl)cc1 103194060 CTXGCBYKELYXEM-SILNSSARSA-N 332.787 3.016 30 1 EGEF CC=C(C)C(=O)O[C@@H]1C[C@@H](O)C(C)(C)[C@@H]2[C@H]3C(C)=CC(=O)[C@H]2[C@@]31C 2356519098 NHVUXTQHFHSPJY-BDYSUAKQSA-N 332.440 3.053 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356557995 ITWYQAIFKHRKRR-RCCFBDPRSA-N 346.423 3.011 30 1 EGEF C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@@]1(O)[C@H]1OC1(C)C 2356564618 VXYOXKDSQQPXPF-SXLOBPIMSA-N 342.391 3.095 30 1 EGEF COC(=O)CCCCC/C=C/C=C/C#CC#C/C=C/COC(C)=O 238772572 VOPPYPDHFHINPK-SWZPXQIYSA-N 328.408 3.348 30 1 EGEF CCCC/C=C/C#CC#CCCCCCCCC(=O)OC[C@H](O)CO 95559807 GAWUOGRKCBFNIA-RRFGBZISSA-N 348.483 3.367 30 1 EGEF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc([N+](=O)[O-])c1 587904488 NZBQGBBERDDCQK-UHFFFAOYSA-N 345.738 3.443 30 1 EGEF CC(C)(C)OC(=O)N1CC(c2[nH]c3cccc([N+](=O)[O-])c3c2C#N)C1 587648466 FCYDVTQSLFKMJP-UHFFFAOYSA-N 342.355 3.282 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12 5641280 LQAWDKQOLJURMN-HSNVXZNWSA-N 346.423 3.011 30 1 EGEF Cc1c(-c2ccccc2)oc2c(C(=O)N=C3N=CC=N3)cccc2c1=O 2356311070 GXYZDPDPWZTZLR-UHFFFAOYSA-N 343.342 3.420 30 1 EGEF CC1=C2[C@@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C 3978316 XQOSNJUURCKQGN-QOLBWJLXSA-N 344.451 3.197 30 3 EGEF in-vitro O=C(/C=C/c1ccc(/C=C(/CNC2CC2)c2ccccc2)cc1)NO 59282973 MSVKCELXTYNZEY-ANMLQGLPSA-N 334.419 3.498 30 1 EGEF C=C[C@H](O)C#CC#CC[C@H](O)[C@H](O)[C@H](C)[C@H](C)[C@H](C)[C@@H](C)[C@H](C)CC 2356696445 ZCKMUKZQXWHXOF-WRDJSGTQSA-N 348.527 3.243 30 1 EGEF CCOc1ccc(Oc2ncc(C#C[C@H](C)NC(C)=O)s2)cc1 34985728 MMIUJCZQUWEPNG-LBPRGKRZSA-N 330.409 3.210 30 1 EGEF O=C(CCCCCCC(=O)Nc1ccccc1Br)NO 49073016 RWXGKHIQWJSTQO-UHFFFAOYSA-N 343.221 3.234 30 1 EGEF CCCNC(=O)c1ccc(/C=C/C(=O)c2ccc(OC)cc2O)cc1 96921678 ONICYQKLECBCEQ-IZZDOVSWSA-N 339.391 3.437 30 1 EGEF COC(=O)[C@](C)(O)c1cccc(C#Cc2cc(Cl)ccc2OC)c1 587904069 AGVGAAFOFREDAK-LJQANCHMSA-N 344.794 3.129 30 1 EGEF N#Cc1c(-c2ccc(C(=O)O)cc2)cc(-c2ccccc2O)nc1N 13488163 UVDPRJYRJSJLBL-UHFFFAOYSA-N 331.331 3.273 30 1 EGEF COC(=O)[C@H]1CC[C@H]2[C@@H]3CNC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 13733115 ZJOMBWSBLZDZAK-DEGRCIOYSA-N 331.456 3.074 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OCC(C)=CC)[C@H]12)O3 2356508422 WZSKOSACJPMXOP-LJTFRZGTSA-N 346.423 3.107 30 1 EGEF N#CCN(CCCCN1CCCCC1)C(=O)OCc1ccccc1 49069922 RICZASBPUMGABP-UHFFFAOYSA-N 329.444 3.415 30 1 EGEF CCCCC/N=C(/N)N/N=C/c1c[nH]c2ccc([Si](C)(C)C)cc12 195258615 VNTQQVWHTRWIGK-LPYMAVHISA-N 343.551 3.142 30 1 EGEF N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587588833 SMEJAUVPAJZUQF-YLJYHZDGSA-N 344.326 3.362 30 1 EGEF C=CCc1cc(OC)c(O)c([C@@H]2NCCc3nc4ccccn4c32)c1 962981857 GAUGCHCRLNMSKP-SFHVURJKSA-N 335.407 3.012 30 1 EGEF C#Cc1ccnc(NC(=O)Nc2cccc3c2[C@H]2CCCCN2C3=O)c1 1857562667 WROPYEAREMSHKX-MRXNPFEDSA-N 346.390 3.388 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12 2356692241 OWAUPJWPBXIMAJ-ISIBIEBGSA-N 346.423 3.250 30 1 EGEF C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3CCO[C@@H](OC(=O)C(C)C)[C@@]3(C)C[C@H]12 238759846 GLAKPVBGRORKPC-XCZSLDLOSA-N 336.428 3.082 30 1 EGEF Cc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1F 587262581 YFBUPPLVEJPITL-UHFFFAOYSA-N 341.298 3.067 30 1 EGEF COc1cc(-c2nc3ccc(C#N)cc3[nH]2)nn1-c1ccccc1F 587156510 PFDNXXGCLWVCEC-UHFFFAOYSA-N 333.326 3.435 30 1 EGEF CCCc1c(O)ccc2c1O[C@@](CC#N)(C1CCOCC1)CC2=O 587469955 QYZHUVXTVBCKAI-LJQANCHMSA-N 329.396 3.389 30 1 EGEF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C(F)F)N1 587720913 OVUQLFUZNMOGHI-CPFSXVBKSA-N 333.151 3.496 30 1 EGEF CCc1ccc(/N=C2\S[C@@H](Cc3ccnc(N)c3)C(=O)N2C)cc1 1772646770 JEGMTPLIFSTUJN-BAOKRACBSA-N 340.452 3.030 30 1 EGEF N#Cc1ccc(Nc2ccnc(C(=O)c3ccc(C#N)cc3)n2)cc1 1772640107 UZPNCIHTBVXPFE-UHFFFAOYSA-N 325.331 3.195 30 1 EGEF O=C1CC[C@@H](O)[C@H]2C1=C(O)C=CC21Oc2cccc3cccc(c23)O1 14636426 KHWCPGYSJZWUAY-KUHUBIRLSA-N 336.343 3.029 30 1 EGEF biogenic CC(=O)O[C@@H]1C(=O)CC(C)(C)[C@]23O[C@@H]2C[C@@H](c2ccccc2)[C@@]13C 169293537 PTGKTZIUIJTALG-OJXKADHTSA-N 328.408 3.249 30 1 EGEF C=C[C@]1(C)C=C2C(=O)c3c(NC=O)cccc3C(C)(C)[C@@H]2C[C@H]1O 2356490875 YNEOQMQDVSEXCP-AKCHCHLHSA-N 325.408 3.228 30 1 EGEF O=C(C=CC(=O)c1ccccc1)OC[C@H]1CCCN2CCCC[C@@H]12 2356552941 IIAHFBKBTSDKEN-MSOLQXFVSA-N 327.424 3.233 30 1 EGEF Cc1nn(Cc2nc3cccc(C#N)c3[nH]2)c(C)c1Br 586979212 SZKPSSAQFLMJHQ-UHFFFAOYSA-N 330.189 3.059 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cccc(-c2nnc(CN)o2)c1 587905429 UKFWYUZPJHTEOX-UHFFFAOYSA-N 339.782 3.257 30 1 EGEF C#CCOc1ccc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)cc1 587563096 DCNXTSVYBKPYIW-UHFFFAOYSA-N 335.407 3.182 30 1 EGEF N#CCC[C@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962922989 LGJOEWFASIXSBZ-MSOLQXFVSA-N 338.363 3.128 30 1 EGEF C=C1C(=O)O[C@@H]2C[C@H](C)C(=O)CC[C@H](C)[C@@H](OC(=O)C(C)=CC)C[C@@H]12 2356489994 RUHDFIFDAUWXFM-YARXLOAZSA-N 348.439 3.378 30 1 EGEF C=C1C[C@]23COC(=O)C2=CCC[C@@H]3C[C@]12C[C@@H](c1ccoc1)OC2=O 2356737111 VKZZVTSIYSLAJA-MWHZBGGUSA-N 340.375 3.484 30 1 EGEF C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)C(=O)C=C[C@]3(C)[C@]2(O)CC1 2356859104 SRDUJXZBMCRZKJ-UFYCRDLUSA-N 328.408 3.196 30 1 EGEF N#C[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 95896076 FSTZDOIQITWSOS-AQNXPRMDSA-N 336.435 3.233 30 1 EGEF C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 238761808 QFINJHBXXJQKPB-ZMPHZCGGSA-N 346.423 3.010 30 1 EGEF CCCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccn1 653857484 CNSGWJRTENMKET-QGZVFWFLSA-N 336.391 3.404 30 1 EGEF COC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c(C#N)c1 587900904 RWLCCFCQGLYKCK-UHFFFAOYSA-N 325.751 3.407 30 1 EGEF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C#N)cc(Cl)c2[nH]1 587268099 XAZSWAUXJUJQFZ-UHFFFAOYSA-N 344.762 3.364 30 1 EGEF CCCCCCCC(=O)NCCCc1nc2ccc(C(=N)N)cc2[nH]1 587228776 YAZFZSNVWYKNTK-UHFFFAOYSA-N 343.475 3.256 30 1 EGEF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 158274356 QXVGANVELOYXEZ-FSZPOTLFSA-N 346.423 3.011 30 1 EGEF biogenic C=CCOC/C=C/C#CCN(CC=C)Cc1ccc(OC)cc1OC 203471710 UYZJWODOQSOWPO-CSKARUKUSA-N 341.451 3.454 30 3 EGEF COc1ccc(COC[C@@H](O)C/N=C(\O)CC2CCCCC2)cc1 58363828 XIBVTHSHFOFWPH-KRWDZBQOSA-N 335.444 3.500 30 1 EGEF COc1ccc(C(/C=C/c2ccccc2Cl)=N\NC(=N)N)cc1 64548853 WJMNBFWYQNQQBU-MAPNBITDSA-N 328.803 3.249 30 1 EGEF C=C(CC/C=C1\C[C@@H](C=C(C)C)OC1=O)[C@H](O)CCC1=CC(=O)OC1 49054172 QSKKGQVXKWAQQS-CHPXOOGJSA-N 346.423 3.155 30 1 EGEF CC1=CC(=O)/C(=C(O)/C=C/c2ccccc2Br)C(=O)O1 198679302 LSUTWVLABJOUSL-CKRYPDTRSA-N 335.153 3.304 30 3 EGEF C=C1C[C@]23CC(=O)[C@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N(CCO)C5 95918715 CFWUHNAFHGLBHO-PVOZCVFRSA-N 341.495 3.031 30 1 EGEF biogenic,in-vitro COc1ccc(Cl)cc1C#Cc1cc(C)c2nc(CN)cn2c1 587912789 OCDGWMYMLKLYSG-UHFFFAOYSA-N 325.799 3.163 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccccc1[C@@H]1CNCCO1 587902246 BKOSGFVMWJYLGO-IBGZPJMESA-N 327.811 3.409 30 1 EGEF COc1ccc(Cl)cc1C#Cc1ccc([C@@H](N)CC(=O)O)cc1 587905954 OAWWHWQSDSLYJM-INIZCTEOSA-N 329.783 3.223 30 1 EGEF O=C1C=C[C@@H]2[C@H](c3ccc4c(c3)OCO4)C[C@@H]1N2Cc1ccccc1 169299758 ONQQYFYIKCBECT-KSZLIROESA-N 333.387 3.281 30 1 EGEF COc1ccc(/C=C/C(=O)c2nc(O)c3ccccc3n2)c(OC)c1 1857587896 NTMOCRWTISJBTI-CSKARUKUSA-N 336.347 3.249 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)C=C(C)C)[C@H](O)[C@@H]12 2356431257 JJFSJHYLXOTBEF-LULLPPNCSA-N 346.423 3.010 30 1 EGEF N#Cc1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 59113584 UQIRATJNZOMMRO-UHFFFAOYSA-N 345.446 3.319 30 1 EGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@@H](OC(=O)CC(C)C)[C@@H]12 2356660490 HKCAIZMMUQCFMI-BVBHFADKSA-N 348.439 3.089 30 1 EGEF CCCN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1 35812559 DDPNLUCBQHSHLI-UHFFFAOYSA-N 327.359 3.465 30 1 EGEF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C#N)cc2[nH]1 586963433 NTXUAKINHDFPLM-ZDUSSCGKSA-N 325.397 3.482 30 1 EGEF COc1ccc(Cl)cc1C#Cc1cc2c(cc1C)C(=O)C(=O)N2 587908101 UHSAYOQMBQSFJQ-UHFFFAOYSA-N 325.751 3.192 30 1 EGEF COc1cccc2c3c(cnc12)CCN[C@]3(CC#N)c1occc1C 963059866 VOYGBAZAFYXMOF-FQEVSTJZSA-N 333.391 3.448 30 1 EGEF O=C(Nc1ccc(Cl)cc1)[C@]12C[C@H]1/C(=N\O)c1ccccc1O2 66260004 ZRURMLHGCOJTNX-HFQSWYCISA-N 328.755 3.308 30 1 EGEF in-vivo N#Cc1ccc(N[C@@H]2CCc3ccc(C(=O)NO)cc3C2)cc1Cl 113845472 VBBLVDIRGKUPNB-OAHLLOKOSA-N 341.798 3.300 30 1 EGEF Cc1cccc2oc(=O)c3c(c12)O[C@H](C)[C@@H]3CC(=O)[C@H]1OC1(C)C 2356568756 FFVTXDZCGATRNF-VGTOOOLASA-N 328.364 3.103 30 1 EGEF N#C[C@H]1C(=N)OC2=C(C(=O)CN(c3ccccc3)C2)[C@@H]1c1ccccc1 169728028 RCMMZTMEGDYTDD-VQIMIIECSA-N 343.386 3.261 30 1 EGEF