smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)C=C(C)CC[C@@H]1[C@]2(C)CCCC(C)(C)[C@]23C=C[C@@]1(C)OO3 2356387910 KWTCUQQOGRMZKD-UMSONDCASA-N 348.483 4.748 50 1 EJGF C[C@]1(CCCCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542408 HAHZQDWAIXDZNZ-VQIMIIECSA-N 346.810 4.522 50 1 EJGF BrC/C=C\c1nc2ccc(OCc3ccccc3)cc2[nH]1 586974404 WDVVSGGEQKVSDX-DAXSKMNVSA-N 343.224 4.550 50 1 EJGF O=C1C[C@@](CCl)(c2cccs2)Oc2c1ccc1c2CCCC1 587532374 PVQBDFKEWPEFEB-GOSISDBHSA-N 332.852 4.726 50 1 EJGF COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CCCl)cc1 587644646 JQFCGVOCOHHHNA-UHFFFAOYSA-N 330.771 4.533 50 1 EJGF C=CC[C@@H](CNC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C 195469644 ZWVQKRKPIXXMBM-KRWDZBQOSA-N 349.547 4.879 50 1 EJGF C=C1CC[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(O)[C@H](Cl)C2 5742196 GUFLNPTXIUFEGF-UXOAXIEHSA-N 335.713 4.655 50 1 EJGF COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCC2=C(C)CCCC2(C)C)OO1 42892381 MRBQQESZUMBYBU-OXFYSEKESA-N 338.488 4.972 50 1 EJGF biogenic CC[C@@H](C)c1ccc([C@@]2(CCl)NCCc3c(C)ccnc32)cc1 963091236 UOXAKHRSVOXBQC-JLTOFOAXSA-N 328.887 4.532 50 1 EJGF O=[N+]([O-])c1cccc2[nH]c(CBr)c(-c3ccccc3)c12 587643574 GMYHAFMFZPHTEL-UHFFFAOYSA-N 331.169 4.638 50 1 EJGF Cc1cc2c(cc1F)[C@@H](c1ccc(O[Si](C)(C)C)cc1)NCC2 962146266 NMAQNTVVACCAOJ-LJQANCHMSA-N 329.491 4.583 50 1 EJGF Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2C(=O)Cl)cc1 958520492 OIVZPQGZHAENKV-UHFFFAOYSA-N 331.202 4.880 50 1 EJGF CC(C)C[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587690147 ZMNPAGDKIARFGD-BONVTDFDSA-N 348.687 4.603 50 1 EJGF COc1cc(C=CC=O)cc(OC)c1OCC=C(C)CCC=C(C)C 2356460528 YXLSEBZIZVYKKV-UHFFFAOYSA-N 344.451 4.987 50 1 EJGF Cc1ccc(/C=C(\C#N)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 587188169 PFAIWNHTOMFIHP-UKTHLTGXSA-N 343.308 4.834 50 1 EJGF C[C@H](Br)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587008817 OYUUPPMMFUPGGS-BYPYZUCNSA-N 343.530 4.571 50 1 EJGF BrCc1nc2cccc3c2c(c1Cc1ccccc1)CC3 587207495 FRPSDEBKUUGNSC-UHFFFAOYSA-N 338.248 4.819 50 1 EJGF CC(C)C[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587688228 JUXZWYGJBCONCS-BMIGLBTASA-N 348.687 4.603 50 1 EJGF CC(C)[Si](OC[C@@H]1C[C@@H](C#N)OC(C)(C)O1)(C(C)C)C(C)C 195765861 ILCHUJVTDAOPLH-HOTGVXAUSA-N 327.541 4.612 50 1 EJGF CCCCCC[C@H]1CC(=O)[C@H]2CCCC[C@@]23CC[C@H](CSC#N)N13 145434672 QWOZNKGCXULCKK-JRBPQWBISA-N 348.556 4.906 50 1 EJGF S=C=Nc1ccc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)cc1 28240944 HANUAMQCDQBQDB-UHFFFAOYSA-N 337.448 4.939 50 1 EJGF CC(C)(C)OC(=O)n1cccc1/C=C(\C#N)c1ccc(Cl)cc1 35875966 VIGWEJYTBSARQE-SDNWHVSQSA-N 328.799 4.989 50 1 EJGF CCCCCCC[C@@H]1OO[C@H]2CCC[C@@](c3ccccc3)(OO1)O2 58672656 OIBBXEXWONUBAD-OTWHNJEPSA-N 336.428 4.963 50 1 EJGF N#C/C(=C(\O)c1cc(Cl)sc1Cl)c1nc2ccccc2[nH]1 101845454 GEHYBUOKRHWPOE-XYOKQWHBSA-N 336.203 4.881 50 1 EJGF CC(C)(OO)C1=CC2=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 136068307 UPHHCDQAXBSXRD-LNKGRISISA-N 334.456 4.818 50 1 EJGF CC1=CC(=O)C[C@]2(C)CC[C@@H]([C@@H](C)CC(=O)CC(C)C)C[C@@]12OO 43356714 NSYIWDWDFMSPJJ-SOHDHNSJSA-N 336.472 4.582 50 1 EJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCCCl)N1 587681736 AIOHXGUTUMVFDT-LKFCYVNXSA-N 334.660 4.573 50 1 EJGF CN(C(=O)CCl)c1ccc(Sc2ccc(Cl)cc2)cc1 28003817 CBJGESKEPGQXBO-UHFFFAOYSA-N 326.248 4.693 50 1 EJGF CC1=CC[C@H](C)[C@](C)(O)[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 2356789147 CYHITBNZHPWZOS-YADOHIMWSA-N 335.713 4.655 50 1 EJGF N#CC1=COC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 64549316 PPSREPCLKDVABZ-UTKZUKDTSA-N 327.383 4.609 50 1 EJGF CC(=CC=CCc1ccccc1)C[C@]1(C)C[C@H](C)[C@@H](CC(=O)O)OO1 2356806038 VNAZVFSEUUJSGF-FBBABVLZSA-N 344.451 4.712 50 1 EJGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(F)cc2[nH]1 586973393 JPOWOURQKYCJSZ-JTQLQIEISA-N 333.204 4.749 50 1 EJGF O=[N+]([O-])c1ccc2c(Cc3ccccc3)c(CBr)[nH]c2c1 587644194 PKCFOCCTXRTQRZ-UHFFFAOYSA-N 345.196 4.562 50 1 EJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(C)(C)C)N1 587689400 RZOLYVUDRYHSQE-RFAUZJTJSA-N 348.687 4.603 50 1 EJGF C=C1C[C@H](O)CC(C)(C)[C@]12CC[C@](C)(Cl)[C@H](Br)C2 2356506776 PLEMXKZODYSLBL-NEBZKDRISA-N 335.713 4.655 50 1 EJGF N#CC1=COC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 64549315 PPSREPCLKDVABZ-UWJYYQICSA-N 327.383 4.609 50 1 EJGF Cc1ccc2occ([C@H]3N=C(c4ccccc4)SS3)c(=O)c2c1 43059173 YAIOXCPMNPNHJP-SFHVURJKSA-N 339.441 4.942 50 1 EJGF CC1(C)[C@H](Br)CC[C@@]1(C)C1=CC[C@](C)(Cl)[C@H](O)C1 2356806146 VOEUCWZWNAXHEZ-UXOAXIEHSA-N 335.713 4.655 50 1 EJGF N#Cc1ccc(Nc2nccc([C@@H](Cl)c3ccc(F)cc3)n2)cc1 169348990 JHELOSOWDHEASF-KRWDZBQOSA-N 338.773 4.559 50 1 EJGF C=C1CCCC(C)(C)[C@@H]1CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)OC)OO1 44388178 MYBJZJMUOIRKIX-WOCWXWTJSA-N 338.488 4.828 50 1 EJGF biogenic N#C/C(=C/c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587188074 ODZREJKUFFCMJY-WDZFZDKYSA-N 331.272 4.785 50 1 EJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)ccc1C)([C@@H](C)Cl)O2 587371523 GDGALJWQDJJEHQ-JLTOFOAXSA-N 343.854 4.682 50 1 EJGF C=CCC[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497034 BNVXEWPSWABOFZ-GOSISDBHSA-N 349.268 4.631 50 1 EJGF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(SC#N)cc1 587871887 FXFDSNSKGLMXOY-UHFFFAOYSA-N 339.395 4.650 50 1 EJGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H]1C=CCC=CCCCCC(=O)OC 2356705387 LHXROQFHCKPBQI-CNMWIUBYSA-N 340.891 4.643 50 1 EJGF Cc1cccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12 586973730 NICOASHBSTTZPG-LBPRGKRZSA-N 329.241 4.918 50 1 EJGF FC(F)(F)c1cc2nc(/C=C\CBr)[nH]c2cc1Cl 586973232 GWWVXMXJFDOCOA-UPHRSURJSA-N 339.542 4.643 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(/C=C\C(=O)Cl)c(F)c1 587916883 XCEJBVFWJQRLLQ-TWGQIWQCSA-N 349.188 4.666 50 1 EJGF COC(=O)C=C(C)CC[C@@]1(C)[C@@H]2CC(C=O)=C(C)[C@@]2(C)CC[C@H]1C 2356475744 ONUPBQAYHJMKJJ-NSGGIEJNSA-N 332.484 4.864 50 1 EJGF O=C1[C@H](Cl)[C@H](c2cc3ccccc3nc2Cl)N1c1ccccc1 103175761 ONTRUZVWCWGMEZ-CVEARBPZSA-N 343.213 4.584 50 1 EJGF CCOC(=O)[C@H](Cl)c1[nH]c2ccc(F)c(Cl)c2c1C(C)C 587627904 CMJALYWRFPRKDF-CYBMUJFWSA-N 332.202 4.927 50 1 EJGF Cc1ccc(/C=C(\C#N)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 587188673 VIJQFIXTMIZSBV-IZZDOVSWSA-N 329.190 4.637 50 1 EJGF N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1ccccc1 367414 BDKOTUGGEMMVCB-GOSISDBHSA-N 332.790 4.711 50 1 EJGF FC(F)(F)Oc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1Cl 587007616 GZLLQDNNVNHGFQ-YFKPBYRVSA-N 333.524 4.634 50 1 EJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCCl)N1 587683300 GHTIBUIKXSICTM-MEBBXXQBSA-N 348.687 4.747 50 1 EJGF CC(C)=C[C@H](O)CC(C)=C1CC[C@](C)(Cl)[C@@H](Br)C1 2356376390 RFSBZWKXXBPLGT-KKUMJFAQSA-N 335.713 4.965 50 1 EJGF O=[N+]([O-])c1ccc2c(-c3ccccc3)c(CBr)[nH]c2c1 587644195 PLMHMCSWXAZCOH-UHFFFAOYSA-N 331.169 4.638 50 1 EJGF C=C(C)C[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43649679 AXIIZHNAJOYSJI-INIZCTEOSA-N 325.364 4.640 50 1 EJGF C[C@@H](Br)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587101686 KITXFVDIXJXLGT-SNVBAGLBSA-N 338.204 4.902 50 1 EJGF COC(=O)C=C(C=O)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)CC[C@H]1C 2356503536 LBQJQXBWPAQSOS-KRZXBLKESA-N 332.484 4.864 50 1 EJGF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C[C@@H]4[C@@H]([C@@H]3Cl)[C@]1(Cl)[C@]42Cl 2356618274 LOBLYYLFQFFOMQ-FTGDLMTKSA-N 338.876 4.509 50 1 EJGF CC1(C)[C@@H](Cl)C(C=CBr)=CC[C@H]1Br 2356746779 QRJOULVKMXUYFZ-BDAKNGLRSA-N 328.475 4.622 50 1 EJGF CCC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327086 OKINQEVJIBAKTA-IEBWSBKVSA-N 348.801 4.668 50 1 EJGF Cc1ccc(/C=C(/C#N)c2nc3cccc(Br)c3[nH]2)cc1 587189010 ZHCZHNRQFLZVLL-LCYFTJDESA-N 338.208 4.698 50 1 EJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCCCCl)N1 587684060 KDTBGVVSBPADPV-BMIGLBTASA-N 348.687 4.963 50 1 EJGF O=C(N/N=C/c1ccc(-c2ccccc2F)o1)c1ccc(Cl)cc1 8012124 OXRWXFVGSCPRNY-SRZZPIQSSA-N 342.757 4.503 50 1 EJGF C[C@H]1[C@]2(C)CC[C@@](C)(O2)[C@@]12CC[C@@](C)(Cl)[C@H](Br)C2 138509962 HRAYFOHNJWXJCV-MZHQWRCYSA-N 335.713 4.895 50 1 EJGF Cc1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1 586973377 IZLAIHUACUEMJB-GFCCVEGCSA-N 329.241 4.918 50 1 EJGF CC[C@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327011 OBJGARVHUPEJKU-IEBWSBKVSA-N 348.801 4.668 50 1 EJGF C#CC=CC[C@H](Cl)[C@@H]1CC=C[C@H](CBr)[C@H](CCC)O1 2356795308 LUJMLHQEEIXLNW-UGUYLWEFSA-N 345.708 4.698 50 1 EJGF CC(=O)O[C@@H]1C[C@@H]2C(C(C)C)=CC[C@]2(C)CC2=C(C=O)CCC=C21 2356651488 PFCUJCKUUCABGO-NJDAHSKKSA-N 328.452 4.536 50 1 EJGF C=C1C(=O)C=CC(C)(C)[C@@]12CC[C@@](C)(Cl)[C@H](Br)C2 13449910 GETTWDHSAIILPA-BPLDGKMQSA-N 331.681 4.639 50 1 EJGF COc1ccc(Cl)cc1C#Cc1cc(C)cc(CBr)c1 587898646 OBJRTAPOYDDBAM-UHFFFAOYSA-N 349.655 4.952 50 1 EJGF Cc1ccc2occ([C@@H]3N=C(c4ccccc4)SS3)c(=O)c2c1 43059171 YAIOXCPMNPNHJP-GOSISDBHSA-N 339.441 4.942 50 1 EJGF COC(C)(C)[C@H](Br)c1nc2ccc(C(C)(C)C)cc2[nH]1 586971147 MWPIVDRNQLGPCF-CYBMUJFWSA-N 339.277 4.721 50 1 EJGF BrCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586971965 BFAPVMICVCLGSF-UHFFFAOYSA-N 344.237 4.735 50 1 EJGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@H]1C[C@H]3CC[C@H]1C3)CC2=O 587460599 NSJVGSMHBPDSHP-HCNDDXEMSA-N 348.870 4.724 50 1 EJGF CC[C@]1(CCCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545669 SBCUIGZNWYGJFW-VQIMIIECSA-N 346.810 4.522 50 1 EJGF N#C/C(=C/c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 587187856 LXRPXQIDVYCPII-FLIBITNWSA-N 342.171 4.529 50 1 EJGF C[C@H](Cl)[C@@]1(C#C[Si](C)(C)C)c2ccc(F)cc2C[C@H]2CCCN21 963111748 RCTWFXYBQNZHOY-YJLNNSPDSA-N 349.953 4.550 50 1 EJGF C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC)CCC=CC[C@@H]1Cl 2356580768 YRKKCZPTQMMTEN-VGWMRTNUSA-N 345.708 4.841 50 1 EJGF CC1=CC(=O)CC(C)(C)[C@@]12CC[C@@](C)(Cl)[C@H](Br)C2 13379325 HUEHBYCLTKTTRM-BPLDGKMQSA-N 333.697 4.863 50 1 EJGF C=CCC[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689305 RPGPRGZTBOHBCZ-MEBBXXQBSA-N 346.671 4.523 50 1 EJGF C=C1CCC=C(C)C[C@@H]2OC(=O)C(=C)[C@H]2CC=C(C)CC[C@H]1OO 2356639933 JBAGKWQPEIEUBQ-QRVBRYPASA-N 332.440 4.745 50 1 EJGF CC1=CC[C@H](C)[C@](C)(O)[C@]12CC[C@@](C)(Cl)[C@@H](Br)C2 2356789144 CYHITBNZHPWZOS-DJIJKHNZSA-N 335.713 4.655 50 1 EJGF C=C1C=C[C@]2(CC1)C(=C)C[C@@H](OC(C)=O)[C@@H](Br)C2(C)C 2356806956 WBIVJEOHNLRROT-INMHGKMJSA-N 339.273 4.560 50 1 EJGF C=C(C)C[C@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43649174 AXIIZHNAJOYSJI-MRXNPFEDSA-N 325.364 4.640 50 1 EJGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)C[C@@H](O)OC 238776832 IHUILYJKMHTVRM-SHICUWRESA-N 334.500 4.656 50 1 EJGF Cc1cc2nc3c(C#N)c(C)c(CCCl)c(Cl)n3c2cc1C 1639365 SMOICAGOEIBYJQ-UHFFFAOYSA-N 332.234 4.719 50 1 EJGF C=C1CCC=C(C)CC[C@H]2C[C@H](O)[C@@](C)(CC[C@@H]1OO)OC2(C)C 2356641584 VHUGCUUHUCYKNJ-CGBFIWBNSA-N 338.488 4.636 50 1 EJGF CC[C@H](O[Si](CC)(CC)CC)[C@H](C)C=CC[C@]1(C)O[C@@H]1CO 2356705574 VHCRYLAOSJLICW-XDNAFOTISA-N 328.569 4.519 50 1 EJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCCCl)N1 587681739 AIOHXGUTUMVFDT-YMTOWFKASA-N 334.660 4.573 50 1 EJGF C[C@H](Cl)[C@]1(C#C[Si](C)(C)C)c2ccc(F)cc2C[C@@H]2CCCN21 963111746 RCTWFXYBQNZHOY-UCLAIMLFSA-N 349.953 4.550 50 1 EJGF CCC12C[C@H]3C[C@H](C1)CC(C(=O)NNc1cccc4ncccc14)(C3)C2 101627105 RAJZQEGBKJYJIK-KILAXVPQSA-N 349.478 4.675 50 1 EJGF Oc1ccc2c(c1)[C@](c1ccccc1)([C@@H](Cl)c1ccccc1)NCC2 963330284 WHXCICHKFTVHCK-FCHUYYIVSA-N 349.861 4.762 50 1 EJGF Cc1c(Br)ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c12 587188432 STQWTOZQBOPEHA-UKTHLTGXSA-N 338.208 4.698 50 1 EJGF CCCN1[C@H](C)Cc2ccccc2[C@@]12CC(C)(C)CC(=O)[C@H]2Cl 963241861 OBHKMABUJASFRJ-LXGCGDOSSA-N 333.903 4.535 50 1 EJGF C=C[C@]1(C)CC[C@H](C(=C)C)[C@H](C2=C3C=CC=C[C@H]3NC2)[C@@H]1N=C=S 2356854153 RLZCQFPUXOGOTH-TZSPXAHUSA-N 338.520 4.647 50 1 EJGF COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)CC/C(C)=C\C=O 238751632 YRIDUAUQVJEEOY-WLBSQQNESA-N 332.484 4.864 50 1 EJGF Cc1ccc(/C=C(/C#N)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 587188504 ULSFZAMZPLQROZ-LCYFTJDESA-N 327.309 4.954 50 1 EJGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)Cl)CC2=O 587457694 BCFDTMCLEDTMIK-ZUOKHONESA-N 344.838 4.833 50 1 EJGF COc1cc(OC)cc(/C(C#N)=C/c2ccc(OCC(C)C)cc2)c1 1772573268 RBQWLXXWKJKRBF-GIJQJNRQSA-N 337.419 4.803 50 1 EJGF CC[C@H](c1ccc(O)cc1)[C@H](CBr)c1ccc(O)cc1 5925941 DXBQUTUBYLSLOU-IAGOWNOFSA-N 335.241 4.770 50 1 EJGF O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(OCCCCl)cc1 95559070 PFBSBFFUFZPNAB-YBEGLDIGSA-N 348.229 4.840 50 1 EJGF CC1=CCC[C@]2(C)O[C@@H]2CCC(C)=C[C@@H]2O[C@H](OO)C(C)=C2CC1 2356673751 OMTNHSPFOJGTDR-NMLBUPMWSA-N 334.456 4.922 50 1 EJGF C=C1C[C@H](O)CC(C)(C)[C@@]12CC[C@@](C)(Br)[C@H](Cl)C2 13449949 CXJOFWKRIFZNNT-CTHBEMJXSA-N 335.713 4.655 50 1 EJGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C[C@@H]2Cl 587496287 BBVVNTNSEAEFTJ-FPOVZHCZSA-N 338.834 4.590 50 1 EJGF N#CC1=COC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 64549314 PPSREPCLKDVABZ-DYESRHJHSA-N 327.383 4.609 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(CCl)nc1Cl 587902934 FXNBUMIKGYUHNF-UHFFFAOYSA-N 326.610 4.536 50 1 EJGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21 2356871477 YBJRYURJRZXQEU-LZWOXQAQSA-N 330.424 4.633 50 1 EJGF N#C/C(=C/c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587189004 XPOLFSWDFIKPKO-WQLSENKSSA-N 329.281 4.526 50 1 EJGF COc1cc(Cl)ccc1CN(CC(C)C)C(=O)/C=C/[C@H](C)Cl 103284705 JMQMFYVRKSFEFF-LJLILKBBSA-N 344.282 4.517 50 1 EJGF Cc1ccc(/C=C(\C#N)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587189055 ZNWCIZYWVYVLOC-IZZDOVSWSA-N 329.190 4.637 50 1 EJGF N#C/C(=C\c1c[nH]c2cc(F)ccc12)C(=O)c1c[nH]c2ccccc12 299827897 QCZSGUVFSPLVDT-KPKJPENVSA-N 329.334 4.578 50 1 EJGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC=C(C=O)C[C@H](O)OC 2356522463 IHUILYJKMHTVRM-QEUVDIPISA-N 334.500 4.656 50 1 EJGF CC1=CC[C@H](C)[C@](C)(O)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 2356789146 CYHITBNZHPWZOS-PSWFKFNGSA-N 335.713 4.655 50 1 EJGF CC(C)CCN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@@H](C)Cl 103284913 ZGSFOGNRYGZQME-CEOUIICOSA-N 328.283 4.898 50 1 EJGF Cc1c(C(=O)N/N=C\c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12 33350391 REXMZSQADVETQQ-UKWGHVSLSA-N 346.217 4.547 50 1 EJGF CCCCC(CCCC)NNC(=O)c1ccc(Cl)cc1Cl 40413973 OFILUGVKHOKZQI-UHFFFAOYSA-N 331.287 4.977 50 1 EJGF C[C@H]1C[C@H]2C[C@@H](C)[C@@](C)(C#N)[C@H]3CC[C@H]4[C@H]([C@H]23)[C@@H]1CC[C@]4(C)N=C=O 40392829 PQKVPNQECCMWNB-RMBRTBKZSA-N 340.511 4.975 50 1 EJGF CCCCC[C@H]1O[C@@H]1[C@@H](/C=C/CCCCCCCC(=O)O)OO 102182748 LSLYTZURYMOJBX-QZIMMCAGSA-N 328.449 4.564 50 1 EJGF CC1=C(C#N)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 103583270 ZYNBAPLMMQBYIC-IBGZPJMESA-N 335.451 4.720 50 1 EJGF CCn1c2ccccc2c2cc(/C=C(\C#N)c3ccc[n+](C)c3)ccc21 1857538525 NLQAPOFEEQGKHN-CPNJWEJPSA-N 338.434 4.703 50 1 EJGF COc1ccc(Cl)cc1C#Cc1cc(CBr)ccc1C 587898379 JQGKSPVWZYJNGP-UHFFFAOYSA-N 349.655 4.952 50 1 EJGF CC1=CC(=O)C[C@]2(C)CC[C@H]([C@@H](C)CC(=O)CC(C)C)C[C@@]12OO 257496751 NSYIWDWDFMSPJJ-JKTDJZPLSA-N 336.472 4.582 50 1 EJGF CC[C@@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327012 OBJGARVHUPEJKU-MJGOQNOKSA-N 348.801 4.668 50 1 EJGF CCOC(=O)/C(C#N)=C(/C)Nc1ccc2c(c1)c1ccccc1n2CC 1772644421 QSYKROQROBIIHY-JXAWBTAJSA-N 347.418 4.587 50 1 EJGF CC(C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325151 CGHFOHXTTBXTIM-HKUYNNGSSA-N 348.801 4.524 50 1 EJGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)Cl)CC2=O 587457692 BCFDTMCLEDTMIK-RNODOKPDSA-N 344.838 4.833 50 1 EJGF CC1=C[C@H](O)CC(C)(C)[C@]12CC[C@](C)(Br)[C@H](Cl)C2 1772648289 CWIWNYOZGCYDSH-NEBZKDRISA-N 335.713 4.655 50 1 EJGF CC(C)(C)OC(=O)N/N=C/c1cc(N=Nc2ccccc2)ccc1O 299846762 UWKPHOGHGAFFKY-VFSVOFHZSA-N 340.383 4.666 50 1 EJGF C=CCCC[C@@H]1O[C@@](Br)(CBr)CC[C@@H]1C 2356594490 AUFYMZHAQGAUQC-SDDRHHMPSA-N 340.099 4.644 50 1 EJGF COc1ccc(COc2cccc(-c3cc(CCl)on3)c2)cc1 26506917 JHEWOXCVZBQWDW-UHFFFAOYSA-N 329.783 4.668 50 1 EJGF CC(=O)O[C@@H]1C[C@H]2C(C(C)C)=CC[C@@]2(C)CC2=C(C=O)CCC=C21 2356651487 PFCUJCKUUCABGO-HBMCJLEFSA-N 328.452 4.536 50 1 EJGF Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(N=[N+]=[N-])cc1F 169335080 INAKTCQKRZXQIQ-DJKKODMXSA-N 326.335 4.540 50 1 EJGF Nc1cncc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587254463 QOXUSRWCGMNMFS-UHFFFAOYSA-N 336.289 4.865 50 1 EJGF O=C1C[C@](CCl)(Cc2ccccc2)Oc2c1ccc1c2CCCC1 587497541 IZQDCOQNEBWSHU-NRFANRHFSA-N 340.850 4.751 50 1 EJGF O=[N+]([O-])c1ccc2c(CC3CCCC3)c(CBr)[nH]c2c1 587644049 LQHYNNFKCJOXHM-UHFFFAOYSA-N 337.217 4.704 50 1 EJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(C)cc1)CC2=O 587461214 RBYOCUSWHDTLKD-HXUWFJFHSA-N 344.838 4.753 50 1 EJGF CC[C@H](C)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587688393 MCIGLULUDWKSSU-FEUHOPSXSA-N 348.687 4.603 50 1 EJGF C#CC=CC[C@H]1OOC(=C(Br)CC)CC=CC[C@@H]1Cl 2356550271 SIEMJQMRRKXVSO-DZGCQCFKSA-N 345.664 4.857 50 1 EJGF CCCC[Si](C)(C)OC[C@H](C)[C@H](OCc1ccccc1)[C@H](C)O 2356658616 YILYSVLDNHABJC-LNLFQRSKSA-N 338.564 4.611 50 1 EJGF C[C@H](Cl)C(=O)Nc1ccccc1-c1cc2c3c(cccc3n1)CC2 587208849 CEBOHRYJZNWREO-LBPRGKRZSA-N 336.822 4.566 50 1 EJGF C[C@]1(CCCCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542407 HAHZQDWAIXDZNZ-QFBILLFUSA-N 346.810 4.522 50 1 EJGF O=C1C[C@@](CCl)(CCCCl)Oc2c1ccc1c2CCCC1 587498917 QNVHJAIFRIJSIO-QGZVFWFLSA-N 327.251 4.527 50 1 EJGF C/C(Nc1ccccc1)=C(/C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 40690080 VONLZKIOCZDYTD-FOWTUZBSSA-N 345.324 4.554 50 1 EJGF C=C(C)[C@@]1([C@@H](C)O[Si](C)(C)C(C)(C)C)NCCc2ccc(O)cc21 963351361 GQMPPWUIMGLMQL-QRWLVFNGSA-N 347.575 4.720 50 1 EJGF CCCC[C@H](CC)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)OC)OO1 2356353076 HOUYHRRILQWCPH-WDYCEAGBSA-N 326.477 4.972 50 1 EJGF C#CC=CC[C@@H]1OOC([C@@H](Br)CC)=CC=CC[C@@H]1Cl 2356791963 JEGPDVKNFYNXOP-YDHLFZDLSA-N 345.664 4.507 50 1 EJGF C=C1C[C@H](O)CC(C)(C)[C@]12CC[C@@](C)(Br)[C@H](Cl)C2 13449941 CXJOFWKRIFZNNT-MXYBEHONSA-N 335.713 4.655 50 1 EJGF biogenic COc1ccc(Cl)cc1C#Cc1ccc(OC(=S)Cl)cc1 587919561 QHUSCWNGOOKYHC-UHFFFAOYSA-N 337.227 4.651 50 1 EJGF O=C(N/N=C1\CC2(CCCCC2)Oc2ccccc21)Nc1ccccc1 1857767523 KTWYQNNHLYBIKX-PTGBLXJZSA-N 349.434 4.698 50 1 EJGF CC1=C(/C=C\[C@@H](C)/C=N\NC(=O)c2ccncc2)C(C)(C)CCC1 33249094 UUNOZDXWBGFWMC-PMCINKADSA-N 325.456 4.516 50 1 EJGF O=C(N/N=C/c1ccccc1)Nc1nc2c(ccc3ccccc32)s1 40915074 RNPOTUFSIQBARX-UDWIEESQSA-N 346.415 4.605 50 1 EJGF CCCC[C@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)OCC)OO1 44418258 YADXRWVJOHJGHS-WDYCEAGBSA-N 326.477 4.972 50 1 EJGF biogenic C[C@H](Cl)C(=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587209082 IYEORHDMPFFHJC-LBPRGKRZSA-N 336.822 4.566 50 1 EJGF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@](C)(N=C=O)[C@@H]4CC[C@H]([C@@H]2[C@@H]34)[C@@]1(C)C#N 2356336998 PQKVPNQECCMWNB-OTHMVBOZSA-N 340.511 4.975 50 1 EJGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H]1C[C@H]3CC[C@H]1C3)CC2=O 587460604 NSJVGSMHBPDSHP-YDYCPSOVSA-N 348.870 4.724 50 1 EJGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@H](C)c2c(O)cc(C(=O)O)cc21 2356871476 YBJRYURJRZXQEU-DZKIICNBSA-N 330.424 4.633 50 1 EJGF CC1=CC(=O)C[C@]2(C)CC[C@@H]([C@H](C)CC(=O)CC(C)C)C[C@@]12OO 43356715 NSYIWDWDFMSPJJ-BXIUTXANSA-N 336.472 4.582 50 1 EJGF C=CC[C@H](CNC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C 195469638 ZWVQKRKPIXXMBM-QGZVFWFLSA-N 349.547 4.879 50 1 EJGF C=C(c1ccccc1)[C@@H]1CCOC2(OO1)C1CC3CC(C1)CC2C3 44265318 ULFRQVQRUYXXSY-HEJMPPONSA-N 326.436 4.589 50 1 EJGF C=CCc1ccc(OOc2ccc(CC=C)cc2OC)c(OC)c1 139637574 SEJZCZHZNVUJKW-UHFFFAOYSA-N 326.392 4.534 50 1 EJGF CCCCC[C@@H]1O[C@@H]1[C@@H](/C=C/CCCCCCCC(=O)O)OO 102182751 LSLYTZURYMOJBX-XUFDUCDPSA-N 328.449 4.564 50 1 EJGF Cc1ccc(/C(=C(/C#N)c2ccc(O)cc2)c2ccc(O)cc2)cc1 13650269 SJSDQAGWSYOEID-QURGRASLSA-N 327.383 4.889 50 1 EJGF Cc1cc2nc(CBr)c(-c3ccccc3)nc2cc1C 26288196 MMTDBTBWXXXAEZ-UHFFFAOYSA-N 327.225 4.809 50 1 EJGF C=C1C(=O)O[C@H]2CC(C)=CCCC(=C)[C@H](OO)CCC(C)=CC[C@@H]12 2356639932 JBAGKWQPEIEUBQ-OTWHNJEPSA-N 332.440 4.745 50 1 EJGF S=C=Nc1cccc(-c2nnc(SCc3ccccc3)o2)c1 73167376 GEZPANUNRGWLGS-UHFFFAOYSA-N 325.418 4.763 50 1 EJGF CC[C@@]1(CCCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545666 SBCUIGZNWYGJFW-LPHOPBHVSA-N 346.810 4.522 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(F)c(CCl)c1F 587916429 KYXWDPDKDUDWCI-UHFFFAOYSA-N 327.157 4.765 50 1 EJGF C=C1CCC=C(C)CC[C@H]2C[C@H](O)[C@@](C)(CC[C@H]1OO)OC2(C)C 2356641585 VHUGCUUHUCYKNJ-HLNWXESRSA-N 338.488 4.636 50 1 EJGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)C[C@@H](O)OC 2356522464 IHUILYJKMHTVRM-WERVVEIQSA-N 334.500 4.656 50 1 EJGF COC(=O)[C@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@@]2(C)CCC(C)=CC=O 2356680921 YRIDUAUQVJEEOY-XRULBBBTSA-N 332.484 4.864 50 1 EJGF N#CC(C(=O)c1cc(Cl)sc1Cl)=C1Nc2ccccc2N1 4173504 YGRYHJDWTLYQGS-UHFFFAOYSA-N 336.203 4.510 50 3 EJGF C=C1CCCC(C)(C)[C@@H]1CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OC)OO1 42852239 MYBJZJMUOIRKIX-PDOICOKGSA-N 338.488 4.828 50 1 EJGF biogenic Cc1cc(Br)c2[nH]c(/C(C#N)=C\c3ccccc3)nc2c1 587188218 PPIQLLJEVVKAKZ-LCYFTJDESA-N 338.208 4.698 50 1 EJGF CCOC(=O)[C@@H](Cl)c1[nH]c2ccc(F)c(Cl)c2c1C(C)C 587627923 CMJALYWRFPRKDF-ZDUSSCGKSA-N 332.202 4.927 50 1 EJGF C=CCC[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587690008 YPVXQVBGBNSJKL-BONVTDFDSA-N 346.671 4.523 50 1 EJGF Cc1ccc(/C=C(\C#N)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 587187401 GMJWQOKSGMCKPE-MDWZMJQESA-N 343.308 4.834 50 1 EJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C)c(C)c1)([C@@H](C)Cl)O2 587370752 BNODMEXZBARTDU-JLTOFOAXSA-N 343.854 4.682 50 1 EJGF CC1=C(C#N)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 103583274 ZYNBAPLMMQBYIC-LJQANCHMSA-N 335.451 4.720 50 1 EJGF CC(C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325159 CGHFOHXTTBXTIM-PKOBYXMFSA-N 348.801 4.524 50 1 EJGF CC1=C(Br)C[C@H](Br)[C@](C)(C=CCl)C1 2356805377 VHJFOSNOJAPSBV-VHSXEESVSA-N 328.475 4.971 50 1 EJGF CC(=O)[C@H](Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586994405 ZGURKPJATBKQMG-SFHVURJKSA-N 335.790 4.624 50 1 EJGF CCC12C[C@@H]3C[C@H](C1)CC(C(=O)NNc1cccc4ncccc14)(C3)C2 40952665 RAJZQEGBKJYJIK-MBWAJUJLSA-N 349.478 4.675 50 1 EJGF O=C1[C@@H](Cl)[C@H](c2cc3ccccc3nc2Cl)N1c1ccccc1 103175756 ONTRUZVWCWGMEZ-HOTGVXAUSA-N 343.213 4.584 50 1 EJGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)CCC=CC[C@@H]1Cl 2356580767 YRKKCZPTQMMTEN-UGUYLWEFSA-N 345.708 4.841 50 1 EJGF CCCCCCSC1=C(C#N)[C@H](c2ccc(Cl)cc2)NC(=O)N1 299839522 SKGABILFZZEVPR-HNNXBMFYSA-N 349.887 4.743 50 1 EJGF C#CC=CC[C@H]1OOC(=C(Br)CC)CC=CC[C@H]1Cl 2356550273 SIEMJQMRRKXVSO-UKRRQHHQSA-N 345.664 4.857 50 1 EJGF C=C1C=C[C@]2(CC1)C(=C)C[C@@H](OC(C)=O)[C@H](Br)C2(C)C 2356806958 WBIVJEOHNLRROT-VYDXJSESSA-N 339.273 4.560 50 1 EJGF C=C1C(=O)C=CC(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 14966197 GETTWDHSAIILPA-QEJZJMRPSA-N 331.681 4.639 50 1 EJGF biogenic O=C1C[C@@](CCl)([C@@H]2C[C@H]3CC[C@H]2C3)Oc2c1ccc1c2CCCC1 587499196 RYEWAYSHDXXJLO-LALQPFAPSA-N 344.882 4.944 50 1 EJGF Cc1cc(C)nc(SSc2ccc(Br)cc2)n1 1857637519 DOACPSFUIZNNTP-UHFFFAOYSA-N 327.272 4.655 50 1 EJGF CC(=O)Oc1ccccc1SCCCCCCBr 13782082 QMKSQFQZSOFTIW-UHFFFAOYSA-N 331.275 4.659 50 1 EJGF CCCc1c(O)ccc2c1O[C@@](C(Cl)Cl)(C(C)(C)C)CC2=O 587457963 FBXFHIMTKNWHIT-KRWDZBQOSA-N 345.266 4.899 50 1 EJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCCCCl)N1 587686353 UJLZPSSEPBMLEU-ZWNOBZJWSA-N 348.687 4.963 50 1 EJGF Oc1ccc2c(c1)[C@@](c1ccccc1)([C@@H](Cl)c1ccccc1)NCC2 963330286 WHXCICHKFTVHCK-VXKWHMMOSA-N 349.861 4.762 50 1 EJGF Cc1ccc(/C=N/NC(=O)Nc2ccccc2Oc2ccccc2)cc1 98083780 IPDVTSQBYKDNJF-PXLXIMEGSA-N 345.402 4.943 50 1 EJGF Cc1c(CBr)nc2cccc3c2c1-c1ccccc1C3=O 587102849 ZQGLBHHUYXVCOC-UHFFFAOYSA-N 338.204 4.650 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)cc1C 587898331 IUHNLRDWMMNKOB-UHFFFAOYSA-N 349.655 4.952 50 1 EJGF CC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1O 5914602 XCYMFOPZEQCLKW-BSYVCWPDSA-N 344.414 4.603 50 1 EJGF CCOC(=O)c1c([C@H](C)Br)[nH]c2ccc(F)c(Cl)c12 587628733 YWLJMKQKDRTYPW-LURJTMIESA-N 348.599 4.593 50 1 EJGF CCCCOc1ccc(/C=C(\C#N)c2cc(OC)cc(OC)c2)cc1 1772593853 MTSSVOKOZRUTFT-WOJGMQOQSA-N 337.419 4.947 50 1 EJGF CC[C@H](C)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587688394 MCIGLULUDWKSSU-WMFXKJRFSA-N 348.687 4.603 50 1 EJGF COc1ccc(Cl)cc1C#CCc1ccc(CBr)cc1 587899004 WURNGKFEWKOVMQ-UHFFFAOYSA-N 349.655 4.838 50 1 EJGF C=C1CC/C=C(\C)CC[C@@H]2C[C@@H](O)[C@](C)(CC[C@H]1OO)OC2(C)C 139002491 VHUGCUUHUCYKNJ-SDMUYATBSA-N 338.488 4.636 50 1 EJGF CC(C)(F)[C@H](Br)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587086547 CTHCROHAEAWTCT-SECBINFHSA-N 341.558 4.679 50 1 EJGF N#C/C(=C/c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587188851 WIGABWWPRCFXNT-QINSGFPZSA-N 347.381 4.723 50 1 EJGF CC1=C(C=C[C@H](C)C=NNC(=O)c2ccncc2)C(C)(C)CCC1 1857621546 UUNOZDXWBGFWMC-HNNXBMFYSA-N 325.456 4.516 50 1 EJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCCCl)N1 587683416 GYOXFTYAPIFZOS-JOYOIKCWSA-N 334.660 4.573 50 1 EJGF C#CC=CC[C@H](Cl)[C@@H]1CC=C[C@@H](CBr)[C@@H](CCC)O1 2356795306 LUJMLHQEEIXLNW-JONQDZQNSA-N 345.708 4.698 50 1 EJGF Cc1ccc(/C=C(/C#N)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587189058 ZNWCIZYWVYVLOC-WDZFZDKYSA-N 329.190 4.637 50 1 EJGF CCCC[C@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)OCC)OO1 44418246 YADXRWVJOHJGHS-VDZJLULYSA-N 326.477 4.972 50 1 EJGF biogenic COc1ccc(Cl)cc1C#Cc1c(F)cc(N=C=S)cc1F 587915860 YFABQJSJYSVSJP-UHFFFAOYSA-N 335.762 4.761 50 1 EJGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CCC1=C[C@@]3(C(C)C)CC[C@@]12OO3 2356621502 DGDPHTZXZIFFEV-OUJGAGHGSA-N 348.483 4.582 50 1 EJGF CC(C)C(=O)OC[C@H]1C[C@@H](Cl)C[C@@H](c2cccc3ccccc23)O1 95572932 IBVLDSSYAAQFOG-MDZRGWNJSA-N 346.854 4.867 50 1 EJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cccc(F)c1)CC2=O 587465555 FTVYZGHMDZCCMJ-LJQANCHMSA-N 348.801 4.583 50 1 EJGF O=P(Oc1ccccc1Cl)(c1ccccc1)c1ccccc1 3181330 LNOMSKGPMGAADA-UHFFFAOYSA-N 328.735 4.648 50 1 EJGF biogenic C=C1CC[C@@H]2O[C@@H]3C[C@@](C)(Br)[C@H](Cl)C[C@]13C2(C)C 238759558 FTQAJWPVRWXHTJ-OGMFBOKVSA-N 333.697 4.671 50 1 EJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)c(C)cc1C)O2 587373604 RRCCVTADYIYCAM-FQEVSTJZSA-N 343.854 4.602 50 1 EJGF CC1=CC(=O)CC(C)(C)[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 13379326 HUEHBYCLTKTTRM-YUELXQCFSA-N 333.697 4.863 50 1 EJGF biogenic C#CC=CC[C@@H]1OOC([C@@H](Br)CC)=CC=CC[C@H]1Cl 2356791960 JEGPDVKNFYNXOP-GUTXKFCHSA-N 345.664 4.507 50 1 EJGF Cc1ccc(C2=C(C#N)C(=O)N[C@](C)(c3ccc(C)c(C)c3)C2)cc1C 1772614982 KHNFEVRQAJEVIX-QHCPKHFHSA-N 344.458 4.633 50 1 EJGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OC 103288747 AAXFYBBSIXCIRH-MEVJKDFFSA-N 332.484 4.864 50 1 EJGF CC[C@]1(CCCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545668 SBCUIGZNWYGJFW-QFBILLFUSA-N 346.810 4.522 50 1 EJGF C[C@]1(CCl)CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587104642 VXSMZILJHJQRCR-OAQYLSRUSA-N 333.818 4.889 50 1 EJGF CC(=O)n1nc(SSc2ccc(C)cc2)nc1-c1ccccc1 1857750780 ITLGTEAIXNWOPP-UHFFFAOYSA-N 341.461 4.713 50 1 EJGF O=C(NCCCl)Nc1ccc(/C=C/c2cccc(Cl)c2)cc1 473106833 XUZHZVUCHGIOSR-SNAWJCMRSA-N 335.234 4.871 50 1 EJGF ClCCNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 28122936 RGZBNUZXRSSFQM-UHFFFAOYSA-N 333.222 4.678 50 1 EJGF COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1C(=O)Cl 587900392 OQCXYFVLQUSRJJ-UHFFFAOYSA-N 339.605 4.781 50 1 EJGF C=C1C(=O)C=CC(C)(C)[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 13449905 GETTWDHSAIILPA-YUELXQCFSA-N 331.681 4.639 50 1 EJGF biogenic C=C1C(c2ccccc2)=C(C#N)C(=O)N1c1c(C)cccc1C(C)C 64417363 NTDRAPUWFKYBRG-UHFFFAOYSA-N 328.415 4.956 50 1 EJGF FC(F)(F)Oc1cc2nc([C@H](Cl)CCl)[nH]c2cc1Cl 587007614 GZLLQDNNVNHGFQ-RXMQYKEDSA-N 333.524 4.634 50 1 EJGF CC[C@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327013 OBJGARVHUPEJKU-PKOBYXMFSA-N 348.801 4.668 50 1 EJGF C=C[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](Cl)[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 2356663466 HOLZLOOBLKJWIT-RYZABUCPSA-N 348.914 4.509 50 1 EJGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@H]2[C@H]1C=CCCCCCCCC(=O)O 2356650472 HKOGBNDXDHPYJT-IWSXDTNSSA-N 328.880 4.779 50 1 EJGF CC(C)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C=C/[C@@H](C)Cl 103288121 OETSXDVCJFOIFH-QGQQYVBWSA-N 347.808 4.874 50 1 EJGF CC1=CC(=O)C[C@]2(C)CC[C@H]([C@@H](C)CC(=O)CC(C)C)C[C@]12OO 195497024 NSYIWDWDFMSPJJ-QHERXFFYSA-N 336.472 4.582 50 1 EJGF COc1ccc(Cl)cc1C#Cc1cc(C)c(N=C=S)cc1F 587915348 LNJVIKKWBPFQST-UHFFFAOYSA-N 331.799 4.930 50 1 EJGF CC(C)(OO)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1 2356389411 UPHHCDQAXBSXRD-CPLUKWAASA-N 334.456 4.818 50 1 EJGF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC=C(C=O)CC(=O)OC 2356398704 AAXFYBBSIXCIRH-OPYAIIAOSA-N 332.484 4.864 50 1 EJGF CC1=C(C#N)[C@H](c2ccc(Br)cc2)C2=C(O)CCCC2=N1 103865671 DHSVZCFJKYDIRC-INIZCTEOSA-N 343.224 4.781 50 1 EJGF O=C1C[C@](CCl)([C@H]2C[C@H]3CC[C@H]2C3)Oc2c1ccc1c2CCCC1 587499193 RYEWAYSHDXXJLO-CIZKLCFGSA-N 344.882 4.944 50 1 EJGF N#C/C(=C/c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 587187779 LACKPQSFGGMMOW-WDZFZDKYSA-N 342.171 4.529 50 1 EJGF O=C(CCCl)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587209273 MQJAAQWPZJFGCZ-UHFFFAOYSA-N 336.822 4.568 50 1 EJGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@H]1C[C@H]3CC[C@H]1C3)CC2=O 587460601 NSJVGSMHBPDSHP-LVUHPAMQSA-N 348.870 4.724 50 1 EJGF C=C1CC[C@H]2O[C@@H]3C[C@@](C)(Br)[C@@H](Cl)C[C@@]13C2(C)C 2356382560 FTQAJWPVRWXHTJ-PGKPSXLWSA-N 333.697 4.671 50 1 EJGF CC1=C(OCCCCCCCCBr)[C@@H](C)SC1=O 28339158 OOEXVWHMXDVTIL-GFCCVEGCSA-N 335.307 4.674 50 1 EJGF C=C(C)[C@H]1CCC(=C)[C@@H](C[C@@H]2OOCC=C2C)[C@]1(C)CCC(=O)O 238775935 GHUBXQZLOXKAHB-FTEYMNFISA-N 334.456 4.683 50 1 EJGF CCCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587371919 IAQLNHIKUFRIQN-FQEVSTJZSA-N 343.854 4.629 50 1 EJGF CC[C@H](Cl)/C=C/C(=O)N(Cc1ccc(Cl)cc1)CC(C)C 103280993 LYOQVRQDMPKIOC-FEAKQIBJSA-N 328.283 4.898 50 1 EJGF CC1(C)C(=O)C(C)(C)C12SSC1(S2)C(C)(C)C(=O)C1(C)C 1654763 WJYASVVSSKVWSY-UHFFFAOYSA-N 344.567 4.777 50 1 EJGF CCCc1c(O)ccc2c1O[C@@](CCl)(C1CCCCC1)CC2=O 587459226 HBMUFKVIHYTSLS-IBGZPJMESA-N 336.859 4.868 50 1 EJGF [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC=O)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 55723157 YBHSRYBXQGNAIN-XQOOQLJESA-N 342.527 4.844 50 1 EJGF BrC/C=C\c1nc2cccc(OCc3ccccc3)c2[nH]1 586972734 AMYROFHYZQWVRK-YHYXMXQVSA-N 343.224 4.550 50 1 EJGF CC1(C)CCC[C@]2(C)[C@@H](CC/C=C(/C=O)CC=O)[C@@H](C=O)CC[C@@H]12 49055150 AVTQSDUNQOANPK-MCJWARNPSA-N 332.484 4.539 50 1 EJGF COC(=O)C[C@H](C)CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)CCC[C@]12C 2356554702 VUORMACWSDKTNK-QTQZEZTPSA-N 334.500 4.944 50 1 EJGF C=C[C@]1(C)CC[C@H](C(=C)C)[C@H](C2=C3C=CC=C[C@H]3NC2)[C@H]1N=C=S 2356854152 RLZCQFPUXOGOTH-RMLALMNNSA-N 338.520 4.647 50 1 EJGF COc1c2ccoc2nc2c(OC)c(OCC=C(C)CCl)ccc12 2356425000 BZAWJJMWKWLUHE-UHFFFAOYSA-N 347.798 4.562 50 1 EJGF C[C@H](Br)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587009026 SFFDHXGZILMCPC-NSHDSACASA-N 331.213 4.598 50 1 EJGF COc1ccc(Cl)cc1C#Cc1cscc1CBr 587920266 BSIAWXRPHVVLRJ-UHFFFAOYSA-N 341.657 4.705 50 1 EJGF C=C1CCC=C(C)C[C@@H]2OC(=O)C(=C)[C@H]2CC=C(C)CC[C@@H]1OO 2356639934 JBAGKWQPEIEUBQ-QYZOEREBSA-N 332.440 4.745 50 1 EJGF C#C/C=C/C[C@@H]1O/C(=C(\Br)CC)CC=CC[C@@H]1Cl 33918095 FMCNCJZDZVGTHG-VXWAHRLISA-N 329.665 4.925 50 1 EJGF N#C/C(=C\c1cccn1C(=O)c1ccccc1)c1ccc(Cl)cc1 35876048 VHARCXQIJUVZPJ-GHRIWEEISA-N 332.790 4.894 50 1 EJGF O=[N+]([O-])c1cccc2[nH]c(CBr)c(Oc3ccccc3)c12 587644173 OVRMXZMLFNZNLT-UHFFFAOYSA-N 347.168 4.763 50 1 EJGF C#C/C=C/C[C@H]1O/C(=C(\Br)CC)CC=CC[C@H]1Cl 17747986 FMCNCJZDZVGTHG-SHGGNKJNSA-N 329.665 4.925 50 1 EJGF CC[C@@H](c1ccc(O)cc1)[C@@H](CBr)c1ccc(O)cc1 5923211 DXBQUTUBYLSLOU-IRXDYDNUSA-N 335.241 4.770 50 1 EJGF CCCc1c(O)ccc2c1O[C@](C(Cl)Cl)(C(C)(C)C)CC2=O 587457965 FBXFHIMTKNWHIT-QGZVFWFLSA-N 345.266 4.899 50 1 EJGF ClCC[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 66258247 UVJAVUIQMIJDGK-HXUWFJFHSA-N 341.882 4.878 50 1 EJGF O=C(Cl)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1 958527395 IXWJEDOVSLMTJD-UHFFFAOYSA-N 335.165 4.711 50 1 EJGF C[C@@]1(CCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326907 NHMAJDQLLVODAH-MJGOQNOKSA-N 348.801 4.668 50 1 EJGF CC(C)(C)[Si](OC1CCCCC1)(c1ccccc1)c1ccccc1 196052088 DQYPUIKMYLJDLF-UHFFFAOYSA-N 338.567 4.896 50 1 EJGF CCCc1c(O)ccc2c1O[C@@H](c1cc(CCl)cs1)CC2=O 587496311 WAPHBPQHDNMTLC-OAHLLOKOSA-N 336.840 4.852 50 1 EJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C(C)(C)C)N1 587687025 FESAVODGKVSVJH-BJOHPYRUSA-N 348.687 4.603 50 1 EJGF C#CC=CC[C@@H]1OC(=C(Br)CC)CC=CC[C@@H]1Cl 2356542818 FMCNCJZDZVGTHG-ZFWWWQNUSA-N 329.665 4.925 50 1 EJGF Cc1ccc2c(ccc3nc([C@H](Br)C(C)(C)F)[nH]c32)n1 587087770 TZBQYAYQZIPPTD-ZDUSSCGKSA-N 336.208 4.604 50 1 EJGF N#C/C(=C/c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587187934 MEAQPPOJIAZSFI-XFXZXTDPSA-N 329.281 4.526 50 1 EJGF O=C1C[C@]2(CCCC[C@@H]2Br)Oc2c1ccc1c2CCCC1 587496552 ICXQQMRJVSMRGV-WMZOPIPTSA-N 349.268 4.607 50 1 EJGF CCc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373763 SFJNWUTYWBJQDS-RBZFPXEDSA-N 343.854 4.628 50 1 EJGF C[C@H](Cl)c1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccccc1 587648929 JSWPXRPPSXWECE-NSHDSACASA-N 333.840 4.538 50 1 EJGF O=c1c2ccc(OCCCl)cc2[nH]c2cc(Cl)cc(Cl)c12 1857578841 GVEDHQORBMXBIA-UHFFFAOYSA-N 342.609 4.606 50 1 EJGF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3CC4=CC(=O)OC4=C(C=O)[C@@]3(C)CC[C@@H]2C1 2356800584 QDDPMVIVOWOSAY-MXRLGTIWSA-N 340.463 4.741 50 1 EJGF COc1ccc(COc2ccccc2-c2cc(CCl)on2)cc1 26568569 MZJKOMLOUSZGCC-UHFFFAOYSA-N 329.783 4.668 50 1 EJGF CC1=C(Br)C[C@@H](Br)[C@@](C)(C=CCl)C1 2356805378 VHJFOSNOJAPSBV-ZJUUUORDSA-N 328.475 4.971 50 1 EJGF N#Cc1ccc(Nc2nccc([C@@H](Cl)c3cccc(F)c3)n2)cc1 169348984 SLYLEWKFSHTAIG-KRWDZBQOSA-N 338.773 4.559 50 1 EJGF CC(C)(C)[Si](C)(C)OC[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963099460 HSAURZDNBRPOCZ-WMZOPIPTSA-N 335.539 4.909 50 1 EJGF COc1ccc(Cl)cc1C#Cc1cnc2cc(CCl)oc2c1 587910052 IRWISOISFUOTOR-UHFFFAOYSA-N 332.186 4.628 50 1 EJGF COc1ccc(Cl)cc1C#Cc1cc(F)cc(F)c1N=C=S 587915057 JQZNTGHPKFPKIG-UHFFFAOYSA-N 335.762 4.761 50 1 EJGF C#CC=CC[C@H](Cl)[C@@H]1CC=C[C@H](CBr)[C@@H](CCC)O1 2356795307 LUJMLHQEEIXLNW-QXSJWSMHSA-N 345.708 4.698 50 1 EJGF CC(C)Oc1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 587087624 RYBVQIGIHDWADL-LBPRGKRZSA-N 329.213 4.534 50 1 EJGF C=C(C)[C@@H]1CCC(=C)[C@H](C[C@@H]2OOCC=C2C)[C@@]1(C)CCC(=O)O 2356578134 GHUBXQZLOXKAHB-JPLJXNOCSA-N 334.456 4.683 50 1 EJGF O=c1c([C@@H]2N=C(c3ccccc3)SS2)coc2ccccc12 42965528 ZPCJZVZRKVGOMF-QGZVFWFLSA-N 325.414 4.633 50 1 EJGF COC(C)(C)[C@H](Br)c1nc2cccc(C(C)(C)C)c2[nH]1 586971196 OFGDGBYPRCLKBL-CYBMUJFWSA-N 339.277 4.721 50 1 EJGF CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccccc1)CC2=O 587458409 BADVOBZRMOIAOB-HXUWFJFHSA-N 344.838 4.834 50 1 EJGF COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCCCCl 103167716 SGSFNKCQWGWSLH-LFIBNONCSA-N 342.822 4.525 50 1 EJGF C=C1C[C@H](C=C(C)C)O[C@@]12CC[C@](C)(Cl)[C@@H](Br)C2 238743171 ABDRCZBRWYOHQL-ZQDZILKHSA-N 333.697 4.981 50 1 EJGF CCCc1c(O)ccc2c1O[C@H](c1cc(CCl)cs1)CC2=O 587496310 WAPHBPQHDNMTLC-HNNXBMFYSA-N 336.840 4.852 50 1 EJGF C=C[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](Cl)[C@@H](O)[C@]4(C)[C@H]3CC[C@@]21C 137702754 HOLZLOOBLKJWIT-FOARXEHNSA-N 348.914 4.509 50 1 EJGF S=C(SSC(=S)N1CCCCCC1)N1CCCCCC1 45320540 RVRRUNSLNGORFO-UHFFFAOYSA-N 348.628 4.690 50 1 EJGF C/C=C1\C(C)=C(C#N)C(=O)N1c1c(Cl)cc(Cl)cc1Cl 64466789 PAAPSEMCOGCBIB-KGVSQERTSA-N 327.598 4.737 50 1 EJGF Cc1cc2[nH]c([C@H](C)c3ccc(CBr)cc3)nc2c(C)n1 586972898 COQYXBLTYAZIOG-LLVKDONJSA-N 344.256 4.621 50 1 EJGF O=P(CCCCCCN=C=S)(c1ccccc1)c1ccccc1 1857651010 PFUJVSCJGKTPMA-UHFFFAOYSA-N 343.432 4.664 50 1 EJGF CC1=CCC[C@]2(C)O[C@@H]2CCC(C)=C[C@H]2O[C@@H](OO)C(C)=C2CC1 2356673754 OMTNHSPFOJGTDR-ZRNYENFQSA-N 334.456 4.922 50 1 EJGF Cc1cccc(/C=N\NC(=O)c2cc3c(s2)-c2ccccc2CC3)c1 61894989 QLNBBJPZXKTDNN-XKZIYDEJSA-N 346.455 4.586 50 1 EJGF CC1(C)CCC[C@]2(C)[C@@H](CC/C=C(\C=O)CC=O)[C@]3(CC[C@]12C)CO3 95486153 DVRIFBPHGONWGO-CZPXZHLMSA-N 346.511 4.883 50 1 EJGF biogenic,in-vitro O=C1C[C@](CCl)([C@@H]2C[C@H]3CC[C@H]2C3)Oc2c1ccc1c2CCCC1 587499200 RYEWAYSHDXXJLO-RDIVWBNJSA-N 344.882 4.944 50 1 EJGF N#CC(C#N)=Cc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 1857610615 OGSWJSWDPFSGOU-UHFFFAOYSA-N 342.185 4.676 50 1 EJGF O=C(Cc1cccc(Cl)c1)c1cc2cc(CCl)ccc2oc1=O 13676447 GSJGNHWWNCBESP-UHFFFAOYSA-N 347.197 4.611 50 1 EJGF O=C1c2ccccc2-c2cc(CCCCCl)nc3ccc(O)c1c23 586986142 OAMVLWBOVHTHCI-UHFFFAOYSA-N 337.806 4.713 50 1 EJGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@H]2[C@@H]1C=CCC=CCCCCC(=O)O 2356545052 BUSAMCWWFKPNGV-LFRCEIEQSA-N 326.864 4.555 50 1 EJGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H]1C=CCCCCCCCC(=O)O 2356650475 HKOGBNDXDHPYJT-ULQWZQFMSA-N 328.880 4.779 50 1 EJGF CC(=O)OCCC(C=O)=CCCC(=O)CCC=C(C)CCC=C(C)C 2356814512 CIJJFOMECNXMTI-UHFFFAOYSA-N 348.483 4.887 50 1 EJGF O=C1[C@@H](Cl)[C@@H](c2cc3ccccc3nc2Cl)N1c1ccccc1 103175754 ONTRUZVWCWGMEZ-JKSUJKDBSA-N 343.213 4.584 50 1 EJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C(C)(C)C)N1 587689401 RZOLYVUDRYHSQE-VFZGTOFNSA-N 348.687 4.603 50 1 EJGF CC[C@H](O[Si](CC)(CC)CC)[C@H](C)C=CC[C@]1(C)O[C@H]1CO 2356705572 VHCRYLAOSJLICW-OWSLCNJRSA-N 328.569 4.519 50 1 EJGF Clc1cc2nc(NCCCBr)sc2cc1Cl 98085241 KMMKPIILMPZPAZ-UHFFFAOYSA-N 340.073 4.800 50 1 EJGF O=[N+]([O-])c1ccc2c(CBr)c(-c3ccc(F)cc3)[nH]c2c1 587646006 QDEALSAQYMXZLP-UHFFFAOYSA-N 349.159 4.777 50 1 EJGF CC(C)(F)[C@@H](Br)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587086548 CTHCROHAEAWTCT-VIFPVBQESA-N 341.558 4.679 50 1 EJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C)c(C)c1)([C@@H](C)Cl)O2 587370757 BNODMEXZBARTDU-VLIAUNLRSA-N 343.854 4.682 50 1 EJGF ClCC[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 66258246 UVJAVUIQMIJDGK-FQEVSTJZSA-N 341.882 4.878 50 1 EJGF C=C1[C@@H](C)CC[C@@](C)(O)[C@@]12CC[C@@](C)(Cl)[C@H](Br)C2 38297980 VKWTTYZSKBUTGI-URWOTSEESA-N 335.713 4.655 50 1 EJGF Cc1ccnc2c1CCN[C@]2(c1ccccc1)c1ccc(CCl)cc1 963067239 IQJPNWUOEVMHQV-JOCHJYFZSA-N 348.877 4.566 50 1 EJGF COC(=O)C=C(C=O)CC[C@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21 2356503535 LBQJQXBWPAQSOS-GKBFQHABSA-N 332.484 4.864 50 1 EJGF CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2O[C@H]1OO 205381157 OMTNHSPFOJGTDR-KBMOIZFDSA-N 334.456 4.922 50 1 EJGF O=C1C[C@](CCl)(c2cccs2)Oc2c1ccc1c2CCCC1 587532376 PVQBDFKEWPEFEB-SFHVURJKSA-N 332.852 4.726 50 1 EJGF C[C@H]1C(c2cccs2)=CC=C(C=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 40954749 VEUIHRBBGJVNNE-SGTLLEGYSA-N 325.389 4.599 50 1 EJGF COc1cc(OC)cc(/C(C#N)=C/c2cccc(Br)c2)c1 1772652675 IZELQIVIXPDTFL-MKMNVTDBSA-N 344.208 4.530 50 1 EJGF C#C/C=C\C[C@@H]1O[C@H]([C@@H](Br)CC)CC/C=C\C[C@@H]1Cl 238732964 YRKKCZPTQMMTEN-GFXBQONCSA-N 345.708 4.841 50 1 EJGF C=C1C(C(C)C)=C(C#N)C(=O)N1c1ccc(Cl)cc1C(C)(C)C 64245809 GBIJXXWIPPXDSR-UHFFFAOYSA-N 328.843 4.974 50 1 EJGF Cc1cccc(C)c1NC(=O)NN=C(c1ccccc1)c1ccccc1 28527359 NVASQBGNUILNTQ-UHFFFAOYSA-N 343.430 4.878 50 1 EJGF FC(F)(F)c1cc(Cl)c2[nH]c(/C=C\CBr)nc2c1 586974477 WSLXWIHXRQZYHK-UPHRSURJSA-N 339.542 4.643 50 1 EJGF CCCCC1(CCCC)C[C@H](C(=O)OC)[C@@](CCCC)(OC)OO1 73199977 JATTZUINJNBXKQ-APWZRJJASA-N 344.492 4.780 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)cc1 587898734 PMBGOKVBVVHROA-UHFFFAOYSA-N 335.628 4.643 50 1 EJGF Cc1ccc(/C=N/NC(=O)N/C=C/c2ccc(C(C)(C)C)cc2)cc1 1857640487 AKWZPRILPOTKIU-OXQPSJTLSA-N 335.451 4.597 50 1 EJGF CCCCCCCCCCCSC[C@H](NC(C)=O)C(=O)CCl 38154217 LCRQNDYIWWPBKI-INIZCTEOSA-N 349.968 4.563 50 1 EJGF CC1(C)CCC[C@]2(C)[C@H](CCC=C(C=O)CC=O)[C@@]3(CC[C@@]12C)CO3 2356564828 DVRIFBPHGONWGO-WSWWRLHASA-N 346.511 4.883 50 1 EJGF C=C1CC=CC(C)(C)[C@H]1CC=C(C)[C@@H](CBr)OC(C)=O 2356797299 NTWOILADUOEZNY-JKSUJKDBSA-N 341.289 4.808 50 1 EJGF FC(F)(F)Sc1ccc2nc(/C=C/CBr)[nH]c2c1 586973389 JNPCQLJNTJLDQG-OWOJBTEDSA-N 337.164 4.583 50 1 EJGF Cc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497275 IOYSYAHSHBCGLS-OAQYLSRUSA-N 340.850 4.973 50 1 EJGF CCCC[Si](C)(C)OC[C@H](C)[C@@H](OCc1ccccc1)[C@H](C)O 2356658615 YILYSVLDNHABJC-JENIJYKNSA-N 338.564 4.611 50 1 EJGF N#C/C(=C/c1ccccc1)CNC(=O)Nc1ccc(Cl)c(Cl)c1 40565991 FPUKVPQPWDKWKM-JYRVWZFOSA-N 346.217 4.722 50 1 EJGF C[C@H](Cl)/C=C/C(=O)N(Cc1ccc(Cl)cc1)C1CCCC1 103272724 MUHRRPHSAVJOSP-VKUYVZBCSA-N 326.267 4.795 50 1 EJGF COC(=O)C[C@H](C)CC[C@@H]1C(C=O)=CC[C@H]2C(C)(C)CCC[C@@]12C 2356554701 VUORMACWSDKTNK-OCQZMCQHSA-N 334.500 4.944 50 1 EJGF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C[C@@]3(C(C)C)CC[C@]12OO3 73241378 DGDPHTZXZIFFEV-OSTWSGHESA-N 348.483 4.582 50 1 EJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCCl)N1 587682070 BDZUPJFSWJOWQZ-MEBBXXQBSA-N 348.687 4.747 50 1 EJGF COc1cc(CN(CC(C)C)C(=O)/C=C/[C@H](C)Cl)ccc1Cl 103286570 DBDFHEIZBUFCPW-LJLILKBBSA-N 344.282 4.517 50 1 EJGF CCCCCCSC1=C(C#N)[C@H](c2cccc(Cl)c2)NC(=O)N1 299826291 FSJFOKKEBVWIJJ-HNNXBMFYSA-N 349.887 4.743 50 1 EJGF C=C[C@@]1(C)[C@@H](NC)[C@H]2c3c([nH]c4ccccc34)C(C)(C)[C@@H]2C[C@H]1Cl 2356838474 MAGXIUMPXAJOKE-FZNLLOFWSA-N 342.914 4.950 50 1 EJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCCCCCl 587542683 IGILPDMWVILLJR-NVXWUHKLSA-N 346.810 4.522 50 1 EJGF CC1(C)[C@H](Br)CC=C(C=CBr)[C@H]1Cl 2356746782 QRJOULVKMXUYFZ-RKDXNWHRSA-N 328.475 4.622 50 1 EJGF CCCCCCSC1=C(C#N)[C@@H](c2ccccc2Cl)NC(=O)N1 299837670 PBHPYVLXXUBFFV-OAHLLOKOSA-N 349.887 4.743 50 1 EJGF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C[C@@H]4[C@@H]([C@@H]3Cl)[C@]1(Cl)[C@@]42Cl 2356618273 LOBLYYLFQFFOMQ-BSSZOLHJSA-N 338.876 4.509 50 1 EJGF Cc1cc2c(cc1F)[C@@H](CCCCCCBr)NCC2 962086638 ACNDTAPJKHVYJU-MRXNPFEDSA-N 328.269 4.666 50 1 EJGF COc1cccc2c(/C(C#N)=C/c3cccc4cnccc34)c[nH]c12 1857773921 HJQZDWXIIAHMMM-MHWRWJLKSA-N 325.371 4.789 50 1 EJGF Cc1cc(C)c([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587373951 UUMOAYUDXOBMQH-FQEVSTJZSA-N 343.854 4.602 50 1 EJGF Cc1ccc(/C=C(/C#N)c2nc3ccc(Br)cc3[nH]2)cc1 587187387 FWRHUNAQXCZLCJ-JYRVWZFOSA-N 338.208 4.698 50 1 EJGF Cc1ccc(/C=C(\C#N)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587188237 PQSTVDZHFGADGX-IZZDOVSWSA-N 329.190 4.637 50 1 EJGF N#C/C(=C\c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 587187778 LACKPQSFGGMMOW-IZZDOVSWSA-N 342.171 4.529 50 1 EJGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC=C(C=O)CC(=O)OC 2356398706 AAXFYBBSIXCIRH-WAOWUJCRSA-N 332.484 4.864 50 1 EJGF CC[C@@H](c1ccc(O)cc1)[C@H](CBr)c1ccc(O)cc1 5923222 DXBQUTUBYLSLOU-DLBZAZTESA-N 335.241 4.770 50 1 EJGF COc1ccc(/C(=C(\C#N)c2ccccc2)c2ccc(O)cc2)cc1 13650271 SLEVTFRYAPIPJW-QURGRASLSA-N 327.383 4.883 50 1 EJGF C[C@@H](Cl)C(=O)Nc1ccccc1-c1cc2c3c(cccc3n1)CC2 587208848 CEBOHRYJZNWREO-GFCCVEGCSA-N 336.822 4.566 50 1 EJGF N#Cc1ccc2c(C(=O)CCCCCCCC(=O)Cl)coc2c1 587278868 NCCQFAKMWAWDID-UHFFFAOYSA-N 331.799 4.983 50 1 EJGF CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1CCCCCl 587628671 RNMCMKACIUNSJH-UHFFFAOYSA-N 332.202 4.699 50 1 EJGF C=CCC[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689303 RPGPRGZTBOHBCZ-BMIGLBTASA-N 346.671 4.523 50 1 EJGF CC1(C)CCC[C@]2(C)[C@H](CCC=C(C=O)CC=O)[C@]3(CC[C@]12C)CO3 2356564827 DVRIFBPHGONWGO-PDGJWGCVSA-N 346.511 4.883 50 1 EJGF ClCc1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1 963124564 RMFQCTGPNCNFRI-INIZCTEOSA-N 326.654 4.967 50 1 EJGF O=[N+]([O-])c1cccc2[nH]c(CBr)c(Cc3ccccc3)c12 587643293 CSYKMSMYBBPYMC-UHFFFAOYSA-N 345.196 4.562 50 1 EJGF CCC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327089 OKINQEVJIBAKTA-PKOBYXMFSA-N 348.801 4.668 50 1 EJGF O=[N+]([O-])c1cccc2[nH]c(CBr)c(CC3CCCC3)c12 587643886 KHZLNSGGODURBI-UHFFFAOYSA-N 337.217 4.704 50 1 EJGF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@](C)(C#N)[C@@H]4CC[C@H]([C@@H]2[C@@H]34)[C@@]1(C)N=C=O 2356334088 ZBECQDDSFJDUHU-RDHALWJYSA-N 340.511 4.975 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)Cl)c(Cl)c1 587903949 WHKQLSUITZTTMX-UHFFFAOYSA-N 339.605 4.781 50 1 EJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCCCl)N1 587683417 GYOXFTYAPIFZOS-SKDRFNHKSA-N 334.660 4.573 50 1 EJGF CCOC(=O)/C(C#N)=C(/C)Nc1ccc2sc3ccccc3c2c1 1772616915 OYVDGUDQNYOPHR-VBKFSLOCSA-N 336.416 4.827 50 1 EJGF CCCc1c(O)ccc2c1O[C@H](c1cccc(CCl)c1)CC2=O 587459854 IPWCJDLWAQVSPM-SFHVURJKSA-N 330.811 4.790 50 1 EJGF C=C1C[C@@](c2ccccc2)([C@@H](Br)c2ccccc2)OC1=O 1911582751 VCACYUXUEIWWBL-FUHWJXTLSA-N 343.220 4.521 50 1 EJGF N#C/C(=C(\O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 102723689 XRMRDISRRJTXFO-MHWRWJLKSA-N 345.189 4.732 50 1 EJGF aggregator O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](Cl)CCC3 586986278 KLFJJAYBDXMDSG-ZDUSSCGKSA-N 335.790 4.768 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(CCCCl)c(OC)c1 587903609 KRXUDECHHJALGN-UHFFFAOYSA-N 349.257 4.928 50 1 EJGF CC(C)[C@H]1CC[C@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356788812 CMUZTGQUIJFWGS-UHKZQNDXSA-N 346.511 4.645 50 1 EJGF C[C@]1(CCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326904 NHMAJDQLLVODAH-IEBWSBKVSA-N 348.801 4.668 50 1 EJGF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@@](C)(N=C=O)[C@@H]4CC[C@H]([C@H]2[C@@H]34)[C@@]1(C)C#N 2356336996 PQKVPNQECCMWNB-BFNUNYTFSA-N 340.511 4.975 50 1 EJGF N#C/C(=C/c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1 587187179 DFVHFSYHSJYYAT-WDZFZDKYSA-N 342.171 4.529 50 1 EJGF CC1(C)[C@@H](Br)CC=C(C=CBr)[C@@H]1Cl 2356746781 QRJOULVKMXUYFZ-IUCAKERBSA-N 328.475 4.622 50 1 EJGF C=C1C[C@H](OC(C)=O)[C@H](Br)C(C)(C)[C@@]12CC=C(C)CC2 13379276 NQXXGYWRUKNVOU-YQQAZPJKSA-N 341.289 4.784 50 1 EJGF biogenic CCCCCCC(=O)NN(C(=O)c1ccccc1Cl)C(C)(C)C 103184896 DRTPIQPHIFZFNM-UHFFFAOYSA-N 338.879 4.582 50 1 EJGF Cc1ccc(C(=O)N/N=C/C2=C(Cl)c3ccccc3CCC2)cc1 299822234 HVXCGLCQQCICCT-LPYMAVHISA-N 338.838 4.697 50 1 EJGF N#C/C(=C\c1cccc2cnccc12)c1c[nH]c2ccc([N+](=O)[O-])cc12 1857764683 RQJNDXLCPQOXQS-OVCLIPMQSA-N 340.342 4.688 50 1 EJGF COc1cc(OO)ccc1C(=O)/C=C/c1ccc(Cl)c(Cl)c1 82158194 IANAKQAEEKWAQH-XVNBXDOJSA-N 339.174 4.750 50 1 EJGF N#C/C(=C\c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 587187855 LXRPXQIDVYCPII-DHZHZOJOSA-N 342.171 4.529 50 1 EJGF Cc1ccc(-c2nnc(NC(=O)c3cccc(CCl)c3)s2)cc1 1772626152 PGHKPRWFIIPAIM-UHFFFAOYSA-N 343.839 4.505 50 1 EJGF CC[C@@H](Cl)/C=C/C(=O)N(Cc1ccc(Cl)cc1)CC(C)C 103280996 LYOQVRQDMPKIOC-BOLDSZDNSA-N 328.283 4.898 50 1 EJGF CCN(CC)c1ccc([C@H]2C(C#N)=C(C)N=C3CCCC(O)=C32)cc1 104072925 RWUYSHUBJQPZBO-FQEVSTJZSA-N 335.451 4.865 50 1 EJGF CCCCCCC[C@@H]1OO[C@H]2CCC[C@](c3ccccc3)(OO1)O2 38158864 OIBBXEXWONUBAD-IPMKNSEASA-N 336.428 4.963 50 1 EJGF CCc1ccc([C@@]2([C@H](C)Cl)NCCc3c2sc(C)c3C)cc1 963005521 FJFSGYVVHMGSGH-IFXJQAMLSA-N 333.928 4.944 50 1 EJGF COC(=O)[C@]1(C)CCC=C2[C@@H]1CC[C@H](C)[C@]2(C)CCC(C)=CC=O 2356680918 YRIDUAUQVJEEOY-BVPXEZJJSA-N 332.484 4.864 50 1 EJGF CC1=CC(=O)C[C@]2(C)CC[C@H]([C@H](C)CC(=O)CC(C)C)C[C@@]12OO 257496752 NSYIWDWDFMSPJJ-MWHZBGGUSA-N 336.472 4.582 50 1 EJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCCCl)N1 587683414 GYOXFTYAPIFZOS-BXKDBHETSA-N 334.660 4.573 50 1 EJGF COc1ccc(/C(=C(/C#N)c2ccccc2)c2ccc(O)cc2)cc1 13650272 SLEVTFRYAPIPJW-DQRAZIAOSA-N 327.383 4.883 50 1 EJGF C[C@H](Br)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587007780 DVVUYRDJZFKLOM-BYPYZUCNSA-N 327.531 4.691 50 1 EJGF C=CCc1c(CCl)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586984798 BJXDRULWOQASMJ-UHFFFAOYSA-N 335.790 4.619 50 1 EJGF CCOC(=O)c1c([C@@H](C)Br)[nH]c2cc(Cl)c(F)cc12 587627624 GBSWBQICIFJLOB-ZCFIWIBFSA-N 348.599 4.593 50 1 EJGF C=C1C[C@H](C=C(C)C)O[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 2356483854 ABDRCZBRWYOHQL-YJNKXOJESA-N 333.697 4.981 50 1 EJGF COc1ccc(Cl)cc1C#Cc1cccc(CCBr)c1 587897948 BHHMAKWMCCQDLO-UHFFFAOYSA-N 349.655 4.686 50 1 EJGF COc1ccc(Cl)cc1C#Cc1cc(C)c(C(=O)CCl)cc1C 587900869 RQLRYRSKWSEUPD-UHFFFAOYSA-N 347.241 4.787 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc2oc(CCl)nc2c1 587906965 ASQHGSKXKGUBTC-UHFFFAOYSA-N 332.186 4.628 50 1 EJGF COc1ccc2c(c1)[C@@]1([C@H](Cl)CCCC1(C)C)N(C(C)C)CC2 962091048 KRCLYAXGBGQVGY-QUCCMNQESA-N 335.919 4.975 50 1 EJGF Clc1cc(Cl)c2c(c1)[C@]1(CCC[C@@H](Br)C1)NCC2 963125061 SAHCNIPIQAGKQS-YMTOWFKASA-N 349.099 4.672 50 1 EJGF CCCCCc1c(CBr)[nH]c2cccc([N+](=O)[O-])c12 587644291 SVZBBLFUCIEOOM-UHFFFAOYSA-N 325.206 4.704 50 1 EJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCCCCl)N1 587686352 UJLZPSSEPBMLEU-MFKMUULPSA-N 348.687 4.963 50 1 EJGF CCOc1ccc([C@@H]2C(C#N)=C(C)N=C3C2=C(O)c2ccccc23)cc1 25140000 VAEZBWVSGYFAPK-LJQANCHMSA-N 342.398 4.752 50 1 EJGF C[C@@]1(CCl)CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587104640 VXSMZILJHJQRCR-NRFANRHFSA-N 333.818 4.889 50 1 EJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCCCCl)N1 587684063 KDTBGVVSBPADPV-ZUZCIYMTSA-N 348.687 4.963 50 1 EJGF CC(C)(F)[C@@H](Br)c1nc2ccc(C(F)(F)F)cc2[nH]1 587086546 CSVBRURDUCOFJR-VIFPVBQESA-N 339.130 4.766 50 1 EJGF C[C@H](c1ccc(CBr)cc1)c1nc2cccc(F)c2[nH]1 586973783 ONKMWQZWLCEKPU-SNVBAGLBSA-N 333.204 4.749 50 1 EJGF C=C1CC[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(O)[C@@H](Cl)C2 73385927 GUFLNPTXIUFEGF-DHMWGJHJSA-N 335.713 4.655 50 1 EJGF Cc1cc(Br)cc2nc(/C(C#N)=C\c3ccccc3)[nH]c12 587187352 FJKXFZLRROXYKF-JYRVWZFOSA-N 338.208 4.698 50 1 EJGF CCOC(=O)[C@H](Cl)c1[nH]c2cc(Cl)c(F)cc2c1C(C)C 587628181 JJPVYZYPTQDZOW-CYBMUJFWSA-N 332.202 4.927 50 1 EJGF CC[C@@]1(CCCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587686812 XPGBULQZHYRJDL-BMIGLBTASA-N 348.687 4.747 50 1 EJGF COc1ccccc1/C=C/[C@@]12C=C[C@@]3(OO1)C(C)(C)CCC[C@]3(C)O2 299833823 IUSUYMZMYKCHJE-ZPKWQRRQSA-N 342.435 4.661 50 1 EJGF Cc1cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2cc1Br 587187809 KZAZFCUILMLVNW-MDWZMJQESA-N 338.208 4.698 50 1 EJGF CC(C)=C[C@H](O)CC(C)=C1CC[C@@](C)(Cl)[C@H](Br)C1 2356376392 RFSBZWKXXBPLGT-RRFJBIMHSA-N 335.713 4.965 50 1 EJGF CC1(C)CCC[C@]2(C)[C@H](CCC=C(C=O)CC=O)[C@@]3(CC[C@]12C)CO3 2356564825 DVRIFBPHGONWGO-BDKRGJGYSA-N 346.511 4.883 50 1 EJGF C=C(C)[C@@H]1CCC(=C)[C@H](C[C@H]2OOCC=C2C)[C@]1(C)CCC(=O)O 2356578135 GHUBXQZLOXKAHB-PNYFIKQUSA-N 334.456 4.683 50 1 EJGF O=C(c1coc2ccccc12)[C@H](Br)Cc1ccccc1 587280403 CUZRRWZOTADJJZ-OAHLLOKOSA-N 329.193 4.622 50 1 EJGF N#C/C(=C\c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587188073 ODZREJKUFFCMJY-IZZDOVSWSA-N 331.272 4.785 50 1 EJGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)[nH]1 587497200 HMSUJWKVLGDUMU-HXUWFJFHSA-N 343.854 4.610 50 1 EJGF CC[C@H](C)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689139 PYYKKBAPBKDDOY-FEUHOPSXSA-N 348.687 4.603 50 1 EJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCCl)N1 587682072 BDZUPJFSWJOWQZ-ZUZCIYMTSA-N 348.687 4.747 50 1 EJGF C[C@H](Cl)[C@@]1(C#C[Si](C)(C)C)c2ccc(F)cc2C[C@@H]2CCCN21 963111741 RCTWFXYBQNZHOY-FNHZYXHNSA-N 349.953 4.550 50 1 EJGF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(C(=O)Cl)cc1 963242926 QRPMSGFXFJRELX-AUUYWEPGSA-N 327.855 4.812 50 1 EJGF N#CC(=C1SSN=C1Cl)c1nc(-c2ccccc2)cs1 2356483850 ZWKOBFKOBOFQIX-UHFFFAOYSA-N 335.866 4.992 50 1 EJGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@H]2[C@@H]1C=CCC=CCCCCC(=O)OC 2356705388 LHXROQFHCKPBQI-GJGATLCTSA-N 340.891 4.643 50 1 EJGF N#Cc1ccc(Nc2nccc([C@H](Cl)c3ccc(F)cc3)n2)cc1 169348991 JHELOSOWDHEASF-QGZVFWFLSA-N 338.773 4.559 50 1 EJGF CCCCCCSC1=C(C#N)[C@@H](c2cccc(Cl)c2)NC(=O)N1 299826295 FSJFOKKEBVWIJJ-OAHLLOKOSA-N 349.887 4.743 50 1 EJGF C=CCc1cc(-c2cc(C[C@H](C)Br)ccc2O)ccc1O 70463303 HTEPJTSXQWHRIH-LBPRGKRZSA-N 347.252 4.819 50 1 EJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C(C)(C)C)N1 587687028 FESAVODGKVSVJH-RFAUZJTJSA-N 348.687 4.603 50 1 EJGF Cc1cc2c(cc1F)[C@@](CCl)(c1cc(C)c(F)c(C)c1)NCC2 962089020 FMUPNDVXOGFTOC-LJQANCHMSA-N 335.825 4.518 50 1 EJGF C=C1CC=CC(C)(C)[C@H]1CC=C(C)[C@H](CBr)OC(C)=O 2356797297 NTWOILADUOEZNY-HOTGVXAUSA-N 341.289 4.808 50 1 EJGF C/C(=C\CBr)CC[C@@H](Br)C(C)(C)Cl 73258560 GWTGHZSYBJZTTD-BNICOGTQSA-N 332.507 4.889 50 1 EJGF CCc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373765 SFJNWUTYWBJQDS-XCLFUZPHSA-N 343.854 4.628 50 1 EJGF CC1(C)[C@@H](Br)CC[C@]2(C)[C@H]3COC(=O)O[C@]3(C)CC[C@@H]12 95601896 IFGHZGAQSNPTEG-WORXLNIRSA-N 345.277 4.528 50 1 EJGF CCCCCCCC(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103186055 HLQBRMFSAGQTMN-UHFFFAOYSA-N 346.515 4.936 50 1 EJGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC=C(C=O)C[C@@H](O)OC 2356522465 IHUILYJKMHTVRM-YOUFYPILSA-N 334.500 4.656 50 1 EJGF C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1Cl 100420289 OOHJXQQZKLNWCR-UVTDQMKNSA-N 347.201 4.954 50 1 EJGF CC/C=C/[C@H](CC)C[C@@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 136419480 YKVQDPOTKZFVCV-TYQYTZKLSA-N 326.477 4.828 50 1 EJGF CC(C)[C@]1(Cl)CC[C@]2(C)[C@H](Br)CC[C@@](C)(O)[C@@H]2C1 13379543 OPQUHETURHZWCC-QMIVOQANSA-N 337.729 4.735 50 1 EJGF biogenic COc1ccc2c(c1)[C@@]1([C@@H](Cl)CCCC1(C)C)N(C(C)C)CC2 962091047 KRCLYAXGBGQVGY-ICSRJNTNSA-N 335.919 4.975 50 1 EJGF N#C/C(=C\c1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(=O)O 1857587145 FPDBIOLJRBWNHJ-IZZDOVSWSA-N 334.158 4.777 50 1 EJGF C=C1C(=O)C=CC(C)(C)[C@]12CC[C@](C)(Cl)[C@H](Br)C2 13449914 GETTWDHSAIILPA-SNPRPXQTSA-N 331.681 4.639 50 1 EJGF biogenic CC(C)[C@@]1(Cl)CC[C@]2(C)[C@@H](Br)CC[C@@](C)(O)[C@H]2C1 141835635 OPQUHETURHZWCC-BTFPBAQTSA-N 337.729 4.735 50 1 EJGF COc1cc(/C(C#N)=C/c2coc3ccccc23)cc(OC)c1OC 299858945 FGNHRTKEBQFQSX-RIYZIHGNSA-N 335.359 4.523 50 1 EJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cccs1)CC2=O 587493932 JIRGRXWXWGQRBS-KRWDZBQOSA-N 336.840 4.506 50 1 EJGF COC(=O)[C@H](C)[C@H]1CC[C@](C)(CCC2=C(C)CCCC2(C)C)OO1 86049728 MRBQQESZUMBYBU-MDYRTPRTSA-N 338.488 4.972 50 1 EJGF C=CCC[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587690007 YPVXQVBGBNSJKL-BMIGLBTASA-N 346.671 4.523 50 1 EJGF CCc1c(C(=O)CCl)[nH]c(C)c1-c1cc2c3c(cccc3n1)CC2 587208999 FAWQXDZPRRUZAF-UHFFFAOYSA-N 338.838 4.621 50 1 EJGF CCOC(=O)c1c([C@H](C)Br)[nH]c2c(C)cc(Cl)cc12 587623718 MNAKULFNCYTLMA-QMMMGPOBSA-N 344.636 4.762 50 1 EJGF CC(C)=C[C@H](O)CC(C)=C1CC[C@](C)(Br)[C@H](Cl)C1 2356455102 GXPMZNAWQXOPPN-ZNMIVQPWSA-N 335.713 4.965 50 1 EJGF CC[C@@H]1O[C@H]2[C@@H](Cl)C[C@H]1[C@H]2C=CCC=CCCCCC(=O)O 2356594921 LTXCZILODOWVKG-AAEZLKGMSA-N 326.864 4.555 50 1 EJGF C=C[C@@]1(C)[C@@H](NC)[C@@H]2c3c([nH]c4ccccc34)C(C)(C)[C@@H]2C[C@H]1Cl 2356838477 MAGXIUMPXAJOKE-RONSJCHFSA-N 342.914 4.950 50 1 EJGF C=C1C[C@](c2ccccc2)([C@H](Br)c2ccccc2)OC1=O 1911582750 VCACYUXUEIWWBL-AEFFLSMTSA-N 343.220 4.521 50 1 EJGF COC(=O)C=C(C)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=C(C=O)C[C@@H]21 2356475747 ONUPBQAYHJMKJJ-ZQYQINFJSA-N 332.484 4.864 50 1 EJGF COc1ccc(SSC(=S)N2CCc3ccccc3C2)cc1 1857636481 NYYPMSQRXWUOKY-UHFFFAOYSA-N 347.530 4.779 50 1 EJGF Cc1ccc(/C=C(\C#N)n2nnc3cc(Cl)c(Cl)cc32)cc1 72125799 JOPYVSXRLPNJJW-WUXMJOGZSA-N 329.190 4.568 50 1 EJGF CC(C)C[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587690149 ZMNPAGDKIARFGD-ZUZCIYMTSA-N 348.687 4.603 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)[C@H](C)Cl)cc1 587905497 XBCRXIIXXAFDSO-LBPRGKRZSA-N 333.214 4.558 50 1 EJGF ClCc1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1 963124565 RMFQCTGPNCNFRI-MRXNPFEDSA-N 326.654 4.967 50 1 EJGF C=C1CCC=C(C)CC[C@H]2C[C@@H](O)[C@@](C)(CC[C@H]1OO)OC2(C)C 2356641586 VHUGCUUHUCYKNJ-JRBPQWBISA-N 338.488 4.636 50 1 EJGF CC(C)c1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 587621427 UCQONFVYVUIWAI-UHFFFAOYSA-N 326.625 4.669 50 1 EJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCCCl)N1 587681738 AIOHXGUTUMVFDT-XPTSAGLGSA-N 334.660 4.573 50 1 EJGF O=C1c2ccccc2-c2c(CCCl)c(CCl)nc3cccc1c23 587103465 IIQOXWBVNGHKLC-UHFFFAOYSA-N 342.225 4.966 50 1 EJGF O=[N+]([O-])c1ccc2c(Oc3ccccc3)c(CBr)[nH]c2c1 587643944 LAXLTKZFXNRJIP-UHFFFAOYSA-N 347.168 4.763 50 1 EJGF CCCCCCCO[C@H]1C[C@@H](OO)OC[C@H]1OCCCCCCC 473121804 GVSWJIBEZIJYFH-IPMKNSEASA-N 346.508 4.934 50 1 EJGF C[C@H](Cl)C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587209758 WJECFCKLVFHLLV-LBPRGKRZSA-N 336.822 4.566 50 1 EJGF O=C(CBr)N1c2ccccc2Oc2ccc(Cl)cc21 653699885 FFOQHQNLIKQCQW-UHFFFAOYSA-N 338.588 4.505 50 1 EJGF COc1cc(/C=C/C=O)cc(OC)c1OC/C=C(\C)CCC=C(C)C 38330353 YXLSEBZIZVYKKV-NRHDHWSESA-N 344.451 4.987 50 1 EJGF biogenic,in-vitro COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CCC1=C[C@@]3(C(C)C)CC[C@]12OO3 73241382 DGDPHTZXZIFFEV-RQXATKFSSA-N 348.483 4.582 50 1 EJGF Cc1c(Br)ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c12 587188431 STQWTOZQBOPEHA-LCYFTJDESA-N 338.208 4.698 50 1 EJGF CC(C)C[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587690148 ZMNPAGDKIARFGD-MEBBXXQBSA-N 348.687 4.603 50 1 EJGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C[C@H]2Cl 587496282 BBVVNTNSEAEFTJ-CTNGQTDRSA-N 338.834 4.590 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)CCCCl)cc1 587905425 TYEFUZNFEAGOML-UHFFFAOYSA-N 347.241 4.950 50 1 EJGF O=C(O)/C=C/C=C\c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587970016 XVCOVNXHXFFCGV-HSFFGMMNSA-N 340.273 4.874 50 1 EJGF Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1-c1cc2c3c(cccc3n1)CC2 587208911 DITRTSUOSSESRB-NSHDSACASA-N 338.838 4.755 50 1 EJGF NC1CC(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C1 587255415 NRLAZVRLHAMESS-UHFFFAOYSA-N 327.322 4.500 50 1 EJGF CC(C)Cc1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 587621193 RNDLSTZHOXLIID-UHFFFAOYSA-N 340.652 4.744 50 1 EJGF C=C1CC=CC(C)(C)[C@@H]1CC=C(C)[C@@H](CBr)OC(C)=O 2356797298 NTWOILADUOEZNY-HZPDHXFCSA-N 341.289 4.808 50 1 EJGF C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(Cl)c2)c(Cl)c1 100420306 DRAISHVKEAFJDP-GDNBJRDFSA-N 347.201 4.954 50 1 EJGF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@@](C)(C#N)[C@@H]4CC[C@H]([C@@H]2[C@@H]34)[C@@]1(C)N=C=O 2356334087 ZBECQDDSFJDUHU-OTHMVBOZSA-N 340.511 4.975 50 1 EJGF CSc1ccc(CN(CC(C)C)C(=O)/C=C/[C@@H](C)Cl)cc1 103288216 YHINBMHUQJTCDN-AZWQULSGSA-N 325.905 4.577 50 1 EJGF CCCC[C@H](C)C[C@@]1(CC)C=C(CC)[C@H](CC(=O)OCC)OO1 44418250 YADXRWVJOHJGHS-IEZWGBDMSA-N 326.477 4.972 50 1 EJGF biogenic C=C1C[C@@H](C=C(C)C)O[C@@]12CC[C@](C)(Cl)[C@@H](Br)C2 238737140 ABDRCZBRWYOHQL-CBBWQLFWSA-N 333.697 4.981 50 1 EJGF N=C(CCl)NCCCc1cn(CC2CCCC2)c2ccccc12 1857653971 RNSKAVUKRKPYGK-UHFFFAOYSA-N 331.891 4.570 50 1 EJGF C/C(=C\CBr)CC[C@H](Br)C(C)(C)Cl 73258559 GWTGHZSYBJZTTD-ORZBULNSSA-N 332.507 4.889 50 1 EJGF C#C/C=C\C[C@H]1OO/C(=C(/Br)CC)C/C=C\C[C@H]1Cl 140120433 SIEMJQMRRKXVSO-BMMUJGGPSA-N 345.664 4.857 50 1 EJGF COc1cc(/C(C#N)=C/c2cc3ccccc3o2)cc(OC)c1OC 169599267 DQAKZVOJVINMHQ-OQLLNIDSSA-N 335.359 4.523 50 1 EJGF O=C1C[C@@]2(CCCC[C@@H]2Br)Oc2c1ccc1c2CCCC1 587496550 ICXQQMRJVSMRGV-FUHWJXTLSA-N 349.268 4.607 50 1 EJGF CC(=CC=CCc1ccccc1)C[C@]1(C)C[C@H](C)[C@H](CC(=O)O)OO1 2356806040 VNAZVFSEUUJSGF-HFSMHLIXSA-N 344.451 4.712 50 1 EJGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H]1/C=C\CCCCCCCC(=O)OC 145421339 BZWFAFPJUSEFSN-OHCHMHIRSA-N 342.907 4.867 50 1 EJGF COc1cc(OC)c(-c2cc3c4c(cccc4n2)CC3)cc1CCl 587208836 BVOAWHHLKFNAQB-UHFFFAOYSA-N 339.822 4.756 50 1 EJGF C=C1CC[C@H]2O[C@@H]3C[C@](C)(Br)[C@H](Cl)C[C@@]13C2(C)C 2356382559 FTQAJWPVRWXHTJ-MYYUVRNCSA-N 333.697 4.671 50 1 EJGF C=C(C)[C@H](Br)C[C@@H](Br)C(C)=CCCl 2356549331 YUIHVEKNYFPNLL-NXEZZACHSA-N 330.491 4.665 50 1 EJGF CCCCOc1ccc(/C(O)=C(\C#N)c2nc3ccccc3[nH]2)cc1 100704106 YLNIFRUQGZWONI-MNDPQUGUSA-N 333.391 4.692 50 1 EJGF Cl[C@H](Cn1ncc2c(Nc3ccccc3)ncnc21)c1ccccc1 96272515 XWCXOBPKEMSVAP-QGZVFWFLSA-N 349.825 4.550 50 1 EJGF C=C[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](Cl)[C@@H](O)[C@]4(C)[C@H]3CC[C@@]21C 137702667 HOLZLOOBLKJWIT-MROZBLSTSA-N 348.914 4.509 50 1 EJGF C#CC=CC[C@H]1OC(=C(Br)CC)CC=CC[C@@H]1Cl 2356542811 FMCNCJZDZVGTHG-DZGCQCFKSA-N 329.665 4.925 50 1 EJGF CCc1ccc([C@@]2([C@@H](C)Cl)NCCc3c2sc(C)c3C)cc1 963005520 FJFSGYVVHMGSGH-AUUYWEPGSA-N 333.928 4.944 50 1 EJGF COc1ccc2nc3ccc(OC)cc3c(SCCCl)c2c1 5582574 WWWWJQHYTOSMNM-UHFFFAOYSA-N 333.840 4.736 50 1 EJGF COc1ccc2cc([C@H](C)C(=O)NN=C3CCCCCC3)ccc2c1 1857648596 QNNACOLQONIBRB-HNNXBMFYSA-N 338.451 4.778 50 1 EJGF COc1ccc(Cl)cc1CN(CC(C)C)C(=O)/C=C/[C@@H](C)Cl 103286646 OTOWIRSOJUWUOV-OQHXTRMZSA-N 344.282 4.517 50 1 EJGF Cc1cc(Br)c2[nH]c(/C(C#N)=C/c3ccccc3)nc2c1 587188220 PPIQLLJEVVKAKZ-UKTHLTGXSA-N 338.208 4.698 50 1 EJGF 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327.855 4.812 50 1 EJGF COc1c2ccoc2nc2c(OC)c(OC/C=C(\C)CCl)ccc12 15222577 BZAWJJMWKWLUHE-IZZDOVSWSA-N 347.798 4.562 50 1 EJGF Nc1ccc(/C=C/CSSC/C=C/c2ccc(N)cc2)cc1 28368148 OYTNHSFLKHNUGZ-ZPUQHVIOSA-N 328.506 4.959 50 1 EJGF CC1=CC(=O)C[C@]2(C)CC[C@@H]([C@@H](C)CC(=O)CC(C)C)C[C@]12OO 73242883 NSYIWDWDFMSPJJ-ZXUOCUECSA-N 336.472 4.582 50 1 EJGF Cl[C@@H](Cn1ncc2c(Nc3ccccc3)ncnc21)c1ccccc1 96272516 XWCXOBPKEMSVAP-KRWDZBQOSA-N 349.825 4.550 50 1 EJGF C=CCCC[C@@H]1O[C@@](Br)(CBr)CC[C@H]1C 2356594488 AUFYMZHAQGAUQC-GRYCIOLGSA-N 340.099 4.644 50 1 EJGF C=C1C[C@@H](O)CC(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 238752368 PLEMXKZODYSLBL-DHMWGJHJSA-N 335.713 4.655 50 1 EJGF Cc1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1 586973378 IZLAIHUACUEMJB-LBPRGKRZSA-N 329.241 4.918 50 1 EJGF CC(C)=NNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 73141866 UMKZLKICOQDGHS-UHFFFAOYSA-N 342.402 4.509 50 1 EJGF CC1(C)[C@H]2CC[C@@]1(CBr)c1nc3cccc4c3c(c12)CC4 587208140 LZLXAJPQFLXWDU-ORAYPTAESA-N 342.280 4.883 50 1 EJGF 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50 1 EJGF C=C1C[C@H](C=C(C)C)O[C@]12CC[C@@](C)(Cl)[C@@H](Br)C2 2356483853 ABDRCZBRWYOHQL-XQLPTFJDSA-N 333.697 4.981 50 1 EJGF CC1=C(/C=C\[C@@H](C)/C=N/NC(=O)c2ccncc2)C(C)(C)CCC1 64251792 UUNOZDXWBGFWMC-WJTQETHASA-N 325.456 4.516 50 1 EJGF CCOCCOCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587778592 OIGGSTOQBLEAIW-UHFFFAOYSA-N 346.321 4.773 50 1 EJGF Cc1cc2c(cc1F)[C@](c1c[nH]c3ccccc13)([C@H](C)Cl)NCC2 962142021 DECZUFWDTDAFSR-RBZFPXEDSA-N 342.845 4.632 50 1 EJGF CC[C@H](C)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689138 PYYKKBAPBKDDOY-AMJWSMQMSA-N 348.687 4.603 50 1 EJGF COc1ccc(Cl)cc1CN(CC(C)C)C(=O)/C=C/[C@H](C)Cl 103286648 OTOWIRSOJUWUOV-LJLILKBBSA-N 344.282 4.517 50 1 EJGF C#C/C=C/C[C@@H]1O[C@H]([C@@H](Br)CC)CC/C=C\C[C@@H]1Cl 238755986 YRKKCZPTQMMTEN-ADYKEXEOSA-N 345.708 4.841 50 1 EJGF BrC/C=C/c1nc2cccc(OCc3ccccc3)c2[nH]1 586972733 AMYROFHYZQWVRK-BJMVGYQFSA-N 343.224 4.550 50 1 EJGF CC(/C=C\C=C(/C)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)OO1)=C/C(=O)O 169292914 QCBHAKOQLSSZNZ-RSOUJKIQSA-N 332.440 4.745 50 1 EJGF CCc1ccc([C@]2([C@H](C)Cl)NCCc3c2sc(C)c3C)cc1 963005524 FJFSGYVVHMGSGH-LIRRHRJNSA-N 333.928 4.944 50 1 EJGF CCCCCN(CCCCC)c1ccc(/C=C(\C#N)C(=O)O)cc1 205336259 WRMVQBCCLSJRCQ-OBGWFSINSA-N 328.456 4.865 50 1 EJGF CC(C)(F)[C@@H](Br)c1nc2cccc(C(F)(F)F)c2[nH]1 587086919 IZNGZLAHBYVBQI-VIFPVBQESA-N 339.130 4.766 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(N=C=S)c(C)c1F 587916797 VAXWIHFTTQXVGK-UHFFFAOYSA-N 331.799 4.930 50 1 EJGF CCCCCCC[C@H]1OO[C@@H]2CCC[C@@](c3ccccc3)(OO1)O2 195191409 OIBBXEXWONUBAD-QYZOEREBSA-N 336.428 4.963 50 1 EJGF CC1=CC[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(O)[C@H](Cl)C2 5665182 XTJRMMKSWBOFCC-MXYBEHONSA-N 335.713 4.655 50 1 EJGF biogenic Cc1ccc(/C=C(/C#N)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587187792 KWLHCBFBOBPBEP-WDZFZDKYSA-N 329.737 4.867 50 1 EJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C(C)(C)C)N1 587687030 FESAVODGKVSVJH-VFZGTOFNSA-N 348.687 4.603 50 1 EJGF C=CCC[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587690010 YPVXQVBGBNSJKL-ZUZCIYMTSA-N 346.671 4.523 50 1 EJGF C=C(C)[C@]1([C@@H](C)O[Si](C)(C)C(C)(C)C)NCCc2ccc(O)cc21 963351359 GQMPPWUIMGLMQL-FOIQADDNSA-N 347.575 4.720 50 1 EJGF C[C@@]1(CCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326902 NHMAJDQLLVODAH-HKUYNNGSSA-N 348.801 4.668 50 1 EJGF CCCCC[C@H]1O[C@@H]1/C=C/[C@@H](CCCCCCCC(=O)O)OO 102182731 SZMWZFAMDRNPCL-AUXPREMHSA-N 328.449 4.564 50 1 EJGF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(CBr)c12 587645686 HYWZIQVVVKGAKA-UHFFFAOYSA-N 349.159 4.777 50 1 EJGF COc1ccc2c(/C(C#N)=C/c3cccc4cnccc34)c[nH]c2c1 1857655966 VJWKGQSGDARXMY-CXUHLZMHSA-N 325.371 4.789 50 1 EJGF C=CC(=C)[C@@H](C[C@H]1C(=C)CC[C@H]2[C@](C)(C(=O)O)CCC[C@]12C)OO 299871722 ZCCXCIIULRZQQV-AZNNDXHDSA-N 334.456 4.840 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(COC(=O)Cl)cc1 587906034 POURVSDFNKOHPU-UHFFFAOYSA-N 335.186 4.624 50 1 EJGF CC1(C)[C@@H](Br)CC[C@@]2(C)[C@@H]1CC[C@]1(C)OC(=O)OC[C@H]12 95603959 IFGHZGAQSNPTEG-BFPXCNAZSA-N 345.277 4.528 50 1 EJGF N#C/C(=C\c1ccccc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587189210 ZSXQQNCJBCBXLR-AWNIVKPZSA-N 338.292 4.518 50 1 EJGF CC(C)CCN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@H](C)Cl 103284915 ZGSFOGNRYGZQME-MDDUGHTDSA-N 328.283 4.898 50 1 EJGF Oc1cc(OCCCCl)ccc1-c1cc2c3c(cccc3n1)CC2 587209046 GWKJSCRLTJBSQR-UHFFFAOYSA-N 339.822 4.714 50 1 EJGF C=C1C=C[C@]2(CC1)C(=C)C[C@H](OC(C)=O)[C@@H](Br)C2(C)C 2356806957 WBIVJEOHNLRROT-UXLLHSPISA-N 339.273 4.560 50 1 EJGF N#C/C(=C/c1ccccc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587189211 ZSXQQNCJBCBXLR-MLPAPPSSSA-N 338.292 4.518 50 1 EJGF CC(C)(OO)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]2CC1 2356389412 UPHHCDQAXBSXRD-GIYDNNGJSA-N 334.456 4.818 50 1 EJGF C=C1C[C@H](O)CC(C)(C)[C@@]12CC[C@](C)(Br)[C@@H](Cl)C2 140210601 CXJOFWKRIFZNNT-NZBPQXDJSA-N 335.713 4.655 50 1 EJGF CCCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587371920 IAQLNHIKUFRIQN-HXUWFJFHSA-N 343.854 4.629 50 1 EJGF Cc1ccc(/C=C(/C#N)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587188938 YURYDWUCRRUNHF-WDZFZDKYSA-N 329.190 4.637 50 1 EJGF Cc1ccccc1/C=C/[C@@]12C=C[C@@]3(OO1)C(C)(C)CCC[C@]3(C)O2 299835806 LYAACMFBDAQKRR-ZPKWQRRQSA-N 326.436 4.960 50 1 EJGF CC1=C(/C=C\[C@H](C)/C=N\NC(=O)c2ccncc2)C(C)(C)CCC1 33249093 UUNOZDXWBGFWMC-KADYYMAVSA-N 325.456 4.516 50 1 EJGF Clc1cc(Cl)c2c(c1)[C@@]1(CCC[C@H](Br)C1)NCC2 963125060 SAHCNIPIQAGKQS-XPTSAGLGSA-N 349.099 4.672 50 1 EJGF COc1cc(OC)cc(/C(C#N)=C/c2cccc(C(F)(F)F)c2)c1 1772585415 DVHVFXNAZAQXMY-MKMNVTDBSA-N 333.309 4.787 50 1 EJGF C=C1C[C@@](c2ccccc2)([C@H](Br)c2ccccc2)OC1=O 1911582752 VCACYUXUEIWWBL-SJLPKXTDSA-N 343.220 4.521 50 1 EJGF COC(C)(C)[C@@H](Br)c1nc2cccc(C(C)(C)C)c2[nH]1 586971198 OFGDGBYPRCLKBL-ZDUSSCGKSA-N 339.277 4.721 50 1 EJGF N#Cc1ccc2c(C(=O)[C@H](Br)c3ccccc3)coc2c1 587279299 QZSUIXOJYNFVGO-MRXNPFEDSA-N 340.176 4.623 50 1 EJGF CC1=CC(=O)CC(C)(C)[C@]12CC[C@](C)(Cl)[C@H](Br)C2 13379328 HUEHBYCLTKTTRM-SNPRPXQTSA-N 333.697 4.863 50 1 EJGF biogenic O=c1c2ccc(OCCCl)cc2[nH]c2ccc(Cl)c(Cl)c12 1857534299 AFSPUHSEXZHDDK-UHFFFAOYSA-N 342.609 4.606 50 1 EJGF CCS/C(Nc1ccccc1)=C(\C#N)C(=O)Nc1ccc(C)cc1 1857635972 SJCGRNKOQFWFCK-HTXNQAPBSA-N 337.448 4.534 50 1 EJGF Cc1ccc([C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)o1 38140128 DOTXPNJWVHEYAO-RZMYJHENSA-N 348.439 4.511 50 1 EJGF COc1ccc(Cl)cc1C#Cc1cc(F)cc(C)c1N=C=S 587916018 AHLKNRPSAZPXKX-UHFFFAOYSA-N 331.799 4.930 50 1 EJGF CC(C)(OO)C1=C[C@@]23CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]2C[C@H]1OO3 101680679 HUBSVQCLUUNQNP-VKSPVCMPSA-N 336.472 4.897 50 1 EJGF Cc1cc2c(cc1F)[C@](CCl)(c1cc(C)c(F)c(C)c1)NCC2 962089018 FMUPNDVXOGFTOC-IBGZPJMESA-N 335.825 4.518 50 1 EJGF Cc1cc(Br)cc2nc(/C(C#N)=C/c3ccccc3)[nH]c12 587187353 FJKXFZLRROXYKF-MDWZMJQESA-N 338.208 4.698 50 1 EJGF CC(C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325157 CGHFOHXTTBXTIM-MJGOQNOKSA-N 348.801 4.524 50 1 EJGF O=c1c([C@H]2N=C(c3ccccc3)SS2)coc2ccc(F)cc12 43024430 XFZWIRFFMKFRTJ-KRWDZBQOSA-N 343.404 4.773 50 1 EJGF CCCN1[C@@H](c2ccc(C(=O)Cl)cc2)c2ccccc2C[C@H]1C 963242939 QRPMSGFXFJRELX-KUHUBIRLSA-N 327.855 4.812 50 1 EJGF Cc1ccc(/C=C(/C#N)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 587188715 VXWIOQUPILVGAB-JYRVWZFOSA-N 327.309 4.954 50 1 EJGF C=CCC[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689306 RPGPRGZTBOHBCZ-ZUZCIYMTSA-N 346.671 4.523 50 1 EJGF CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(F)ccc3[nH]2)cc1 299868571 RUJMQPBDBPDFSD-RVDMUPIBSA-N 334.398 4.612 50 1 EJGF O=C1CC2(CCC(Br)CC2)Oc2c1ccc1c2CCCC1 587499669 UFWNNDWSEUKLRO-UHFFFAOYSA-N 349.268 4.607 50 1 EJGF CC(C)(C)[Si](C)(C)OC[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963099440 HSAURZDNBRPOCZ-AEFFLSMTSA-N 335.539 4.909 50 1 EJGF COc1ccc2c3ccnc(C)c3n(CCCCBr)c2c1 1857562011 DLQYEYFWRXYCSS-UHFFFAOYSA-N 347.256 4.682 50 1 EJGF C[P+](c1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 73354442 SIAMJWCMPSMNRX-UHFFFAOYSA-N 346.217 4.917 50 1 EJGF COC(C)(C)[C@@H](Br)c1nc2cc3ccccc3cc2[nH]1 586970725 FJIBVSVSVFRABA-AWEZNQCLSA-N 333.229 4.577 50 1 EJGF CCCCCc1c(CBr)[nH]c2cc([N+](=O)[O-])ccc12 587644151 OGSWPRRXHMPZLF-UHFFFAOYSA-N 325.206 4.704 50 1 EJGF Cc1c(F)ccc2c1[C@@](CCl)(c1cc(C)n(C(C)C)c1C)NCC2 962087127 BLWRVAPZTJSAEU-HXUWFJFHSA-N 348.893 4.761 50 1 EJGF COc1ccc(Cl)cc1C#Cc1c(C)cc(C)c(N=C=O)c1C 587899595 GJGRHSZFGYZZBX-UHFFFAOYSA-N 325.795 4.641 50 1 EJGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H]1C=CCCCCCCCC(=O)OC 2356577382 BZWFAFPJUSEFSN-CNMWIUBYSA-N 342.907 4.867 50 1 EJGF CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)c1ccc(C(F)(F)F)cc1)C2 207127689 MCCCEHHPXVLPTB-GSUMHHQWSA-N 338.373 4.637 50 1 EJGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)CCC=CC[C@H]1Cl 2356580769 YRKKCZPTQMMTEN-WCVJEAGWSA-N 345.708 4.841 50 1 EJGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CBr)c1ccco1 963238202 IBCMGIZLWHOLON-KSSFIOAISA-N 348.284 4.575 50 1 EJGF C=C(c1ccc(C)cc1C)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43910311 DKHCVJWPFWUWEL-QKFMXRBCSA-N 340.463 4.816 50 1 EJGF COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)CC/C(C)=C/C=O 238757856 YRIDUAUQVJEEOY-KTQOVEIPSA-N 332.484 4.864 50 1 EJGF COc1c(CCl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625433 IKZPVNSLYXVJRL-UHFFFAOYSA-N 331.643 4.953 50 1 EJGF CCCc1c(O)ccc2c1O[C@@H](c1cccc(CCl)c1)CC2=O 587459851 IPWCJDLWAQVSPM-GOSISDBHSA-N 330.811 4.790 50 1 EJGF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@@](C)(N=C=O)[C@@H]4CC[C@H]([C@@H]2[C@@H]34)[C@@]1(C)C#N 2356336999 PQKVPNQECCMWNB-PKFFCROKSA-N 340.511 4.975 50 1 EJGF O=C(CCCl)Nc1ccccc1-c1cc2c3c(cccc3n1)CC2 587209824 YNFUNGCGWCIGLU-UHFFFAOYSA-N 336.822 4.568 50 1 EJGF C#CC=CC[C@@H]1OOC([C@H](Br)CC)=CC=CC[C@@H]1Cl 2356791961 JEGPDVKNFYNXOP-IPYPFGDCSA-N 345.664 4.507 50 1 EJGF COc1c(O)c2c(c(O)c1C(C)C)C(C=O)=C1C(C)(C)CCC[C@]12C 14719614 JILXWJZSXVLMCM-NRFANRHFSA-N 344.451 4.664 50 1 EJGF biogenic O=C1C[C@](CCl)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587503037 KJAJPPRTWGBJFM-FQEVSTJZSA-N 344.813 4.804 50 1 EJGF CC1=CC[C@@H](Br)C(C)(C)[C@@]12CC[C@](C)(O)[C@@H](Cl)C2 238749197 XTJRMMKSWBOFCC-PAPYEOQZSA-N 335.713 4.655 50 1 EJGF CC[C@H](C)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688395 MCIGLULUDWKSSU-YHAQOWFVSA-N 348.687 4.603 50 1 EJGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C=C(C=O)C[C@H]32)C1 2356629553 IZJWIBVOSGOTPV-PPUJWOGTSA-N 344.495 4.696 50 1 EJGF C#CCN(/N=C/c1ccc(N=[N+]=[N-])cc1)C(=O)Nc1c(C)cccc1C 146358293 WPEWGMZBGYCAML-FYJGNVAPSA-N 346.394 4.746 50 1 EJGF COc1ccc(Cl)cc1C#Cc1cc(C)cc(F)c1N=C=S 587914613 FAJJSXDOPALRNE-UHFFFAOYSA-N 331.799 4.930 50 1 EJGF C=C1CCCC(C)(C)[C@@H]1CC[C@]1(C)CC[C@@H]([C@H](C)C(=O)OC)OO1 73241952 MYBJZJMUOIRKIX-PFRQMTDMSA-N 338.488 4.828 50 1 EJGF COc1cc(CN(CC(C)C)C(=O)/C=C/[C@@H](C)Cl)ccc1Cl 103286569 DBDFHEIZBUFCPW-OQHXTRMZSA-N 344.282 4.517 50 1 EJGF Cc1ccc(/C=N/NC(=O)c2coc3c(Cl)cc(Cl)cc23)cc1 73298194 XWWIFZYOPLSRQT-DNTJNYDQSA-N 347.201 4.812 50 1 EJGF COc1cc(OC)cc(/C(C#N)=C/c2ccc(C(F)(F)F)cc2)c1 1772580885 POGKTBCYEJOELP-VGOFMYFVSA-N 333.309 4.787 50 1 EJGF COc1ccc(-c2nnc(SSCc3ccccc3)o2)cc1 1857609072 DQLOTVRCCXFNDL-UHFFFAOYSA-N 330.434 4.686 50 1 EJGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)CC(=O)OC 2356398703 AAXFYBBSIXCIRH-DBXWQHBBSA-N 332.484 4.864 50 1 EJGF O=C(NNc1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 40973199 SIZSAXHDKYUPLQ-UHFFFAOYSA-N 339.266 4.653 50 1 EJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCCl)N1 587682063 BDZUPJFSWJOWQZ-BMIGLBTASA-N 348.687 4.747 50 1 EJGF C[C@H](Br)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587008987 PYKPEPFFGKPRPY-YFKPBYRVSA-N 325.153 4.631 50 1 EJGF Cc1ccc(/C=C(/C#N)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 587187400 GMJWQOKSGMCKPE-JYRVWZFOSA-N 343.308 4.834 50 1 EJGF C=CCCC[C@@H]1O[C@](Br)(CBr)CC[C@@H]1C 2356594492 AUFYMZHAQGAUQC-SRVKXCTJSA-N 340.099 4.644 50 1 EJGF COC(=O)C=C(C)CC[C@H]1[C@@]2(C)C=C[C@@]3(OO2)C(C)(C)CCC[C@]13C 2356387909 KWTCUQQOGRMZKD-QYRPDUKASA-N 348.483 4.748 50 1 EJGF CO[C@H]1O[C@]2(c3cccc4ccccc34)CC[C@H]3CCCC[C@@]13OO2 100992448 CHYUSDHXRXQZLL-MBPVOVBZSA-N 340.419 4.666 50 1 EJGF CCO/C=C(\C#N)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586994808 ANXQWVUQEIHSJN-WYMLVPIESA-N 340.382 4.656 50 1 EJGF O=C(CCl)Nc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587628360 MBZWGCHKHRSTQK-UHFFFAOYSA-N 337.181 4.805 50 1 EJGF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@](C)(N=C=O)[C@@H]4CC[C@H]([C@H]2[C@@H]34)[C@@]1(C)C#N 2356336997 PQKVPNQECCMWNB-FOXDZRQKSA-N 340.511 4.975 50 1 EJGF CC[C@]1(CCCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587684892 MTKQWEIGYUTMLI-ZUZCIYMTSA-N 348.687 4.747 50 1 EJGF C=C[C@@]1(C)[C@@H](NC)[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@@H]2C[C@H]1Cl 2356840800 MUUDRHMBTAAATC-NMZRWAFMSA-N 342.914 4.950 50 1 EJGF N#C/C(=C/c1ccccc1)CNC(=O)Nc1ccc(Cl)cc1Cl 40567057 RXRRXTKEJNCCQQ-JYRVWZFOSA-N 346.217 4.722 50 1 EJGF O=C1c2ccccc2-c2cc(C(Cl)Cl)nc3ccc(O)c1c23 586986362 RFRPIIVUMJQORE-UHFFFAOYSA-N 330.170 4.628 50 1 EJGF N#C/C(=C\c1cc(Br)c[nH]1)c1cccc(C(F)(F)F)c1 35949924 GTHDJRUKKFNRDF-BJMVGYQFSA-N 341.130 4.860 50 1 EJGF CC(=C/C(=O)O)/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)OO1 42852513 QCBHAKOQLSSZNZ-OADFMSRKSA-N 332.440 4.745 50 1 EJGF COc1ccc([C@H](N=C=S)P(=O)(OC(C)C)OC(C)C)cc1 72106048 MHNVTUQWTPPCNC-OAHLLOKOSA-N 343.385 4.840 50 1 EJGF C=C(C)[C@H](Br)C[C@H](Br)C(C)=CCCl 2356549334 YUIHVEKNYFPNLL-ZJUUUORDSA-N 330.491 4.665 50 1 EJGF C=C[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@@H](Cl)[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 2356663467 HOLZLOOBLKJWIT-WMDJLJJLSA-N 348.914 4.509 50 1 EJGF C=C(c1ccc2c(c1)Cc1ccccc1-2)[C@H]1COC2(CCCC2)OO1 43511414 WPFYEVYPAZSPHK-OAQYLSRUSA-N 334.415 4.888 50 1 EJGF CCOC(=O)c1c(CBr)[nH]c2ccc([C@H](C)CC)cc12 587639332 RWWVLQYVOVVZIB-SNVBAGLBSA-N 338.245 4.753 50 1 EJGF O=C1CC(CCCl)(CCCl)Oc2c1ccc1c2CCCC1 587499099 RWBKZWBHAZLZIF-UHFFFAOYSA-N 327.251 4.527 50 1 EJGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CCC(C)=C(Cl)C2 14860836 HZKGRCIKQBHSNA-NFAWXSAZSA-N 333.697 4.780 50 1 EJGF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(C(=O)Cl)cc1 963242941 QRPMSGFXFJRELX-LIRRHRJNSA-N 327.855 4.812 50 1 EJGF C=C1C(CC)=C(C#N)C(=O)N1c1cc(Cl)c(Cl)cc1Cl 64608282 CAQVLEQDFJYVHE-UHFFFAOYSA-N 327.598 4.737 50 1 EJGF CC1=CCC[C@]2(C)O[C@@H]2CCC(C)=C[C@@H]2O[C@@H](OO)C(C)=C2CC1 2356673753 OMTNHSPFOJGTDR-YRPNKDGESA-N 334.456 4.922 50 1 EJGF CCC=C[C@H](CC)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 2356687711 YKVQDPOTKZFVCV-LSTDLKDCSA-N 326.477 4.828 50 1 EJGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2[C@H](c3c([nH]c4ccccc34)C2(C)C)[C@H]1NC 2356838475 MAGXIUMPXAJOKE-GIWSLNRASA-N 342.914 4.950 50 1 EJGF CC1=C(/C=C\[C@H](C)/C=N/NC(=O)c2ccncc2)C(C)(C)CCC1 195229246 UUNOZDXWBGFWMC-WINWBDIVSA-N 325.456 4.516 50 1 EJGF COc1ccc(Cl)cc1C#Cc1sccc1CBr 587919304 YJIRLEPFQJJDSC-UHFFFAOYSA-N 341.657 4.705 50 1 EJGF O=c1c([C@@H]2N=C(c3ccccc3)SS2)coc2ccc(F)cc12 43024433 XFZWIRFFMKFRTJ-QGZVFWFLSA-N 343.404 4.773 50 1 EJGF CC(C)=CC(=O)C[C@H](C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@]2(OO)C1 2356657431 GBLBQSHVDCCJHZ-SOHDHNSJSA-N 334.456 4.502 50 1 EJGF O=C(O)c1cccc2c(CBr)c(-c3ccc(F)cc3)[nH]c12 587637220 FPJRYZRLISDECG-UHFFFAOYSA-N 348.171 4.567 50 1 EJGF N#CC(=C1/Nc2ccccc2S1)/C(C#N)=C1\Nc2ccccc2S1 34802612 OSZGCNUYXBWVFI-JYFOCSDGSA-N 346.440 4.892 50 1 EJGF CCOC(=O)c1c(CBr)[nH]c2ccc([C@@H](C)CC)cc12 587639331 RWWVLQYVOVVZIB-JTQLQIEISA-N 338.245 4.753 50 1 EJGF CCCC[C@H](C)C[C@]1(CC)C=C(CC)[C@@H](CC(=O)OCC)OO1 44418254 YADXRWVJOHJGHS-KVSKMBFKSA-N 326.477 4.972 50 1 EJGF biogenic C[C@]1(CCl)CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586985703 JHCVBADGSANBGU-OAQYLSRUSA-N 349.817 4.595 50 1 EJGF ClCCCSc1nnc(Cc2ccc(Cl)cc2Cl)o1 82156005 FWMJRDGJIKMIHZ-UHFFFAOYSA-N 337.659 4.688 50 1 EJGF O=C(N/N=C/c1ccccc1)Nc1ccccc1Oc1ccccc1 98083526 NDKCTMASNLJVGL-RCCKNPSSSA-N 331.375 4.635 50 1 EJGF O=c1cc(CCCl)c2ccc(OCc3cccc(Cl)c3)cc2o1 299820645 GLIOHWRSLRFKJG-UHFFFAOYSA-N 349.213 4.807 50 1 EJGF O=C1c2ccccc2-c2c(CCCCCl)cnc3ccc(O)c1c23 586986701 RMFRTDYHVDJHGV-UHFFFAOYSA-N 337.806 4.713 50 1 EJGF O=C(c1coc2ccccc12)[C@@H](Br)Cc1ccccc1 587280401 CUZRRWZOTADJJZ-HNNXBMFYSA-N 329.193 4.622 50 1 EJGF CC[C@H](C)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689141 PYYKKBAPBKDDOY-YHAQOWFVSA-N 348.687 4.603 50 1 EJGF CCCC[C@H](CC)C[C@]1(CC)C=C(CC)[C@@H](CC(=O)OC)OO1 2356353075 HOUYHRRILQWCPH-KVSKMBFKSA-N 326.477 4.972 50 1 EJGF C=CCC[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689304 RPGPRGZTBOHBCZ-BONVTDFDSA-N 346.671 4.523 50 1 EJGF C=C1CC[C@H]2[C@@](C)(N=C=O)CCC[C@]2(C)[C@H]1CC[C@H](C)CN=C=O 653720527 FFLHXAYLPCLLRS-FLNBYBTLSA-N 330.472 4.606 50 1 EJGF CC(C)C[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587688230 JUXZWYGJBCONCS-MEBBXXQBSA-N 348.687 4.603 50 1 EJGF CCc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373766 SFJNWUTYWBJQDS-ZUOKHONESA-N 343.854 4.628 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccccc1/C=C/C(=O)Cl 587901492 FPINXIGNFHKXKY-DHZHZOJOSA-N 331.198 4.527 50 1 EJGF CCc1ccc([C@]2([C@@H](C)Cl)NCCc3c2sc(C)c3C)cc1 963005523 FJFSGYVVHMGSGH-KUHUBIRLSA-N 333.928 4.944 50 1 EJGF COc1cc2ccnc(-c3ccc(NCCCl)cc3)c2cc1OC 29479799 XCGMNMMQRZUXKP-UHFFFAOYSA-N 342.826 4.570 50 1 EJGF Cc1cc(C)cc(/C=C/c2ccc(NC(=O)NCCCl)cc2)c1 473104221 OTXMDWISXWABCB-ONEGZZNKSA-N 328.843 4.834 50 1 EJGF CCOC(=O)c1c([C@@H](C)Br)[nH]c2c(C)cc(Cl)cc12 587623717 MNAKULFNCYTLMA-MRVPVSSYSA-N 344.636 4.762 50 1 EJGF C#C/C=C/C[C@@H]1O[C@@H]([C@@H](Br)CC)CC/C=C\C[C@@H]1Cl 238749786 YRKKCZPTQMMTEN-UWAZWGRVSA-N 345.708 4.841 50 1 EJGF N#C/C(=C\c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587187933 MEAQPPOJIAZSFI-FMIVXFBMSA-N 329.281 4.526 50 1 EJGF CC[C@@]1(CCCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587684887 MTKQWEIGYUTMLI-BONVTDFDSA-N 348.687 4.747 50 1 EJGF C#CC=CC[C@@H]1OOC(=C(Br)CC)CC=CC[C@H]1Cl 2356550272 SIEMJQMRRKXVSO-HIFRSBDPSA-N 345.664 4.857 50 1 EJGF N#C/C(=C\c1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587187366 GCUIGRWTYGABIM-XNTDXEJSSA-N 347.381 4.723 50 1 EJGF CCCCCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1 103171147 DVXOGLSIIPGNRD-UHFFFAOYSA-N 337.891 4.712 50 1 EJGF CC1(C)CCC[C@]2(C)[C@H](CCC=C(C=O)CC=O)[C@]3(CC[C@@]12C)CO3 2356564826 DVRIFBPHGONWGO-FKVLARQCSA-N 346.511 4.883 50 1 EJGF O=C1C[C@](CCl)(c2ccccc2)Oc2c1ccc1c2CCCC1 587496842 GGQXUINUMXZNTG-FQEVSTJZSA-N 326.823 4.665 50 1 EJGF COc1ccc([C@@H](N=C=S)P(=O)(OC(C)C)OC(C)C)cc1 72106047 MHNVTUQWTPPCNC-HNNXBMFYSA-N 343.385 4.840 50 1 EJGF O=C(NCCCl)Nc1ccc(/C=C\c2cccc(Cl)c2)cc1 473106832 XUZHZVUCHGIOSR-PLNGDYQASA-N 335.234 4.871 50 1 EJGF COc1ccc(Cl)cc1C#Cc1cc(F)c(N=C=S)cc1C 587914624 AECDOGPLHFURGU-UHFFFAOYSA-N 331.799 4.930 50 1 EJGF CO[C@@]1(c2ccc(OC(F)(F)F)cc2)C=CC2(CCCCC2)OO1 38158532 ZTBNQXXDKVQNMC-INIZCTEOSA-N 344.329 4.605 50 1 EJGF Cc1nc2ccc(O)c3c2c(c1CCCCl)-c1ccccc1C3=O 586985762 JSTWUNXTDSKEKV-UHFFFAOYSA-N 337.806 4.632 50 1 EJGF C[C@@H](Cl)c1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccccc1 587648927 JSWPXRPPSXWECE-LLVKDONJSA-N 333.840 4.538 50 1 EJGF C#C/C=C\C[C@@H]1O[C@@H]([C@@H](Br)CC)CC/C=C\C[C@@H]1Cl 238782358 YRKKCZPTQMMTEN-NNPYRWJFSA-N 345.708 4.841 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(Cl)c(C(=O)Cl)c1 587902440 UVFNPORWVQWMPV-UHFFFAOYSA-N 339.605 4.781 50 1 EJGF CC(C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356788813 CMUZTGQUIJFWGS-ZIINTYDKSA-N 346.511 4.645 50 1 EJGF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CCC1=C[C@]3(C(C)C)CC[C@@]12OO3 96907199 DGDPHTZXZIFFEV-BVJIBDCISA-N 348.483 4.582 50 1 EJGF Cc1cc(Cl)cc2c(NC(=O)CCl)c(-c3ccccc3)[nH]c12 587623451 HOFIBDNLTKUAON-UHFFFAOYSA-N 333.218 4.974 50 1 EJGF COc1ccc([C@@]23CCC[C@](c4ccc(OC)cc4)(CC2)OO3)cc1 101268502 FZFAHCBBNWRWFF-NHCUHLMSSA-N 340.419 4.721 50 1 EJGF COc1ccc2c(c1)[C@]1([C@H](Cl)CCCC1(C)C)N(C(C)C)CC2 962091049 KRCLYAXGBGQVGY-UYAOXDASSA-N 335.919 4.975 50 1 EJGF C#CC=CC[C@@H]1OC(=C(Br)CC)CC=CC[C@H]1Cl 2356542813 FMCNCJZDZVGTHG-HIFRSBDPSA-N 329.665 4.925 50 1 EJGF CC1=CC(=O)CC(C)(C)[C@]12CC[C@](C)(Br)[C@H](Cl)C2 13379332 AOCXQJSHHUIKPB-SNPRPXQTSA-N 333.697 4.863 50 1 EJGF biogenic CC1=CC(=O)C[C@@]2(C)CC[C@@H]([C@@H](C)CC(=O)CC(C)C)C[C@@]12OO 43356709 NSYIWDWDFMSPJJ-YDGZCJQPSA-N 336.472 4.582 50 1 EJGF CC(C)C[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43408991 NVQBYVRMZWDGDT-INIZCTEOSA-N 327.380 4.720 50 1 EJGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CBr)c1ccco1 963238198 IBCMGIZLWHOLON-KBXCAEBGSA-N 348.284 4.575 50 1 EJGF CCCCC1(CCCC)C[C@H](C(=O)OC)[C@](CCCC)(OC)OO1 73199975 JATTZUINJNBXKQ-VQIMIIECSA-N 344.492 4.780 50 1 EJGF Cc1c(CCCCl)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985499 ITZVLQNDEKTATQ-UHFFFAOYSA-N 337.806 4.632 50 1 EJGF CSc1ccc(CN(CC(C)C)C(=O)/C=C/[C@H](C)Cl)cc1 103288219 YHINBMHUQJTCDN-SEIPJRMCSA-N 325.905 4.577 50 1 EJGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@@H]1C=CCC=CCCCCC(=O)OC 2356705390 LHXROQFHCKPBQI-QLCXLMDBSA-N 340.891 4.643 50 1 EJGF O=C1C[C@@](CCl)([C@H]2C[C@H]3CC[C@H]2C3)Oc2c1ccc1c2CCCC1 587499155 RYEWAYSHDXXJLO-AEUSJWJYSA-N 344.882 4.944 50 1 EJGF CC[C@@H](C)c1ccc([C@]2(CCl)NCCc3c(C)ccnc32)cc1 963091243 UOXAKHRSVOXBQC-VLIAUNLRSA-N 328.887 4.532 50 1 EJGF C=C1CCC=C(C)CC[C@H]2C[C@@H](O)[C@@](C)(CC[C@@H]1OO)OC2(C)C 2356641587 VHUGCUUHUCYKNJ-PNYFIKQUSA-N 338.488 4.636 50 1 EJGF O=C1[C@H](Cl)[C@@H](c2cc3ccccc3nc2Cl)N1c1ccccc1 103175758 ONTRUZVWCWGMEZ-HZPDHXFCSA-N 343.213 4.584 50 1 EJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(C)(C)C)N1 587689398 RZOLYVUDRYHSQE-BJOHPYRUSA-N 348.687 4.603 50 1 EJGF COc1cc(OC)cc(/C(C#N)=C/c2ccccc2C(F)(F)F)c1 1772651597 APDSAKMXQQMLQS-VGOFMYFVSA-N 333.309 4.787 50 1 EJGF CC(=O)OCCC(C=O)=CC=CC(=O)CCC=C(C)CCC=C(C)C 2356795838 MNGYLWCCIMMPPU-UHFFFAOYSA-N 346.467 4.663 50 1 EJGF N#CSCCCCCCN=c1c2c([nH]c3ccccc13)CCCC2 1857640358 MMPNVOZVVJPJMK-UHFFFAOYSA-N 339.508 4.722 50 1 EJGF O=C(NNc1c2ccccc2nc2ccccc12)Nc1ccccc1 4738461 MCAXCOPXBWFSEY-UHFFFAOYSA-N 328.375 4.537 50 1 EJGF CC(C)C[C@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43408993 NVQBYVRMZWDGDT-MRXNPFEDSA-N 327.380 4.720 50 1 EJGF O=C(CCl)Nc1c(-c2ccc(Cl)cc2)[nH]c2cc(F)ccc12 587632868 LOFYSLBFGSFEPJ-UHFFFAOYSA-N 337.181 4.805 50 1 EJGF C=C(C)[C@@H](Br)C[C@H](Br)C(C)=CCCl 2356549332 YUIHVEKNYFPNLL-UWVGGRQHSA-N 330.491 4.665 50 1 EJGF COc1ccc(Cl)cc1C#Cc1c(C)ccc(C(=O)Cl)c1C 587900275 NWSYKPCSNKQDSE-UHFFFAOYSA-N 333.214 4.744 50 1 EJGF CC1(C)[C@H](Br)CC=C(/C=C/Br)[C@H]1Cl 85951780 QRJOULVKMXUYFZ-JKKBLNIGSA-N 328.475 4.622 50 1 EJGF CC(C)=C[C@H](O)CC(C)=C1CC[C@](C)(Cl)[C@H](Br)C1 2356376396 RFSBZWKXXBPLGT-ZNMIVQPWSA-N 335.713 4.965 50 1 EJGF CC(C)C[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587690146 ZMNPAGDKIARFGD-BMIGLBTASA-N 348.687 4.603 50 1 EJGF C=C1CC/C=C(\C)C[C@@H]2OC(=O)C(=C)[C@H]2C/C=C(\C)CC[C@@H]1OO 238772419 JBAGKWQPEIEUBQ-HEGGEVKFSA-N 332.440 4.745 50 1 EJGF N#C/C(=C\c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 587187520 IMCKTPJHHPIVEQ-DHZHZOJOSA-N 342.171 4.529 50 1 EJGF C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC)CCC=CC[C@H]1Cl 2356580766 YRKKCZPTQMMTEN-FZKCQIBNSA-N 345.708 4.841 50 1 EJGF CC[C@H]1O[C@@H]2[C@H](Cl)C[C@H]1[C@H]2/C=C\C/C=C\CCCCC(=O)O 238753004 LTXCZILODOWVKG-RIUOCJOMSA-N 326.864 4.555 50 1 EJGF Cc1ccnc2c1CCN[C@@]2(c1ccccc1)c1ccc(CCl)cc1 963067240 IQJPNWUOEVMHQV-QFIPXVFZSA-N 348.877 4.566 50 1 EJGF CC1=C(C#N)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(O)CC(C)(C)CC2=N1 104073070 GKZVZXGCEGWKIC-QGZVFWFLSA-N 337.379 4.563 50 1 EJGF COc1c2ccoc2nc2c(OC)c(OC/C=C(/C)CCl)ccc12 238751711 BZAWJJMWKWLUHE-WDZFZDKYSA-N 347.798 4.562 50 1 EJGF BrCc1nc2cccc3c2c(c1CC1CCCC1)CC3 587208338 QJBXBJFQUWJWPT-UHFFFAOYSA-N 330.269 4.961 50 1 EJGF FC(F)(F)c1cc(Cl)c2[nH]c(/C=C/CBr)nc2c1 586974475 WSLXWIHXRQZYHK-OWOJBTEDSA-N 339.542 4.643 50 1 EJGF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CCCl)cc1 587644987 TUQWXAJHZHHOLK-UHFFFAOYSA-N 330.771 4.533 50 1 EJGF COc1cc(OC)cc(/C(C#N)=C/c2ccccc2Br)c1 1772643709 XZOQVADHMUGIFI-VGOFMYFVSA-N 344.208 4.530 50 1 EJGF C=C(C)[C@@H]1CCC2=C[C@]3(C(C)C)CC[C@]2(OO3)[C@@]1(C)CCC(=O)O 84723503 NMXUADJKJGUQRE-FRYIKTPZSA-N 334.456 4.659 50 1 EJGF CC(C)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C=C/[C@H](C)Cl 103288124 OETSXDVCJFOIFH-FAFAAHBOSA-N 347.808 4.874 50 1 EJGF CC(C)C(=O)OC[C@H]1C[C@@H](Cl)C[C@@H](c2ccc3ccccc3c2)O1 95576670 ZBJWIQIMWZIYOZ-QRVBRYPASA-N 346.854 4.867 50 1 EJGF CC[C@@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327010 OBJGARVHUPEJKU-HKUYNNGSSA-N 348.801 4.668 50 1 EJGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)[nH]1 587497191 HMSUJWKVLGDUMU-FQEVSTJZSA-N 343.854 4.610 50 1 EJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCCCCl)N1 587686351 UJLZPSSEPBMLEU-GXFFZTMASA-N 348.687 4.963 50 1 EJGF COc1ccc2cc([C@@H](C)C(=O)NN=C3CCCCCC3)ccc2c1 1857648597 QNNACOLQONIBRB-OAHLLOKOSA-N 338.451 4.778 50 1 EJGF N#C/C(=C\c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587189006 XPOLFSWDFIKPKO-XYOKQWHBSA-N 329.281 4.526 50 1 EJGF O=C1C[C@](CCl)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587507122 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N#C/C(=C\c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587188850 WIGABWWPRCFXNT-NTCAYCPXSA-N 347.381 4.723 50 1 EJGF COc1ccc(Cl)cc1C#CCc1cccc(CBr)c1 587898742 POFUQSZXMUPGHE-UHFFFAOYSA-N 349.655 4.838 50 1 EJGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2[C@@H](c3c[nH]c4cccc(c34)C2(C)C)[C@H]1NC 2356840801 MUUDRHMBTAAATC-PZBVGEIHSA-N 342.914 4.950 50 1 EJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCCCCl)N1 587686350 UJLZPSSEPBMLEU-GWCFXTLKSA-N 348.687 4.963 50 1 EJGF COc1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1 586972704 AIJCHFQOTGSOLC-LLVKDONJSA-N 345.240 4.618 50 1 EJGF CC[C@@]1(CCCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545664 SBCUIGZNWYGJFW-APWZRJJASA-N 346.810 4.522 50 1 EJGF C=C1CC(=O)[C@@H](Br)C(C)(C)[C@]12CCC(C)=C(Cl)C2 5766446 DRUSEXDWYQBNTJ-HIFRSBDPSA-N 331.681 4.988 50 1 EJGF biogenic COC(=O)C=C(C)CC[C@@H]1[C@@]2(C)C=C[C@@]3(OO2)C(C)(C)CCC[C@]13C 2356387908 KWTCUQQOGRMZKD-LLUDDFSJSA-N 348.483 4.748 50 1 EJGF C=C(c1ccc(Cl)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43397026 UPQRZVQQBQQHLC-RPQWGHDGSA-N 346.854 4.853 50 1 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COc1ccc(C2OOC(c3ccc(C(C)(C)C)cc3)OO2)cc1 43078580 MVHIEIWXOLNJDI-UHFFFAOYSA-N 330.380 4.600 50 1 EJGF CC1=CC(=O)C[C@@]2(C)CC[C@@H]([C@H](C)CC(=O)CC(C)C)C[C@@]12OO 43356710 NSYIWDWDFMSPJJ-BGRCLHOASA-N 336.472 4.582 50 1 EJGF [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@@H]1[C@@H](CC[C@H]2C)[C@H](C)C[C@@H]3CC(C)(C)NC=O 238782746 YBHSRYBXQGNAIN-FRNBUXIHSA-N 342.527 4.844 50 1 EJGF CCN1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(C#N)CC[C@]4(C)[C@H]3CC[C@@]21C 95555165 LWDRBTVSGHKLIC-LJCDUQBNSA-N 338.495 4.610 50 1 EJGF CO[C@]1(c2ccc(OC(F)(F)F)cc2)C=CC2(CCCCC2)OO1 38158531 ZTBNQXXDKVQNMC-MRXNPFEDSA-N 344.329 4.605 50 1 EJGF C=C(C)[C@]1([C@H](C)O[Si](C)(C)C(C)(C)C)NCCc2ccc(O)cc21 963351360 GQMPPWUIMGLMQL-MGPUTAFESA-N 347.575 4.720 50 1 EJGF C#CC=CC[C@H]1OC(=C(Br)CC)CC=CC[C@H]1Cl 2356542816 FMCNCJZDZVGTHG-UKRRQHHQSA-N 329.665 4.925 50 1 EJGF CC(C)(C)[C@@H]1CCc2c(C(=O)N/N=C\c3cccs3)csc2C1 8665933 HWRYTDKJTKDHQG-FGHSJCFPSA-N 346.521 4.725 50 1 EJGF CCCc1c(O)ccc2c1O[C@H](c1ccc(CCl)cc1)CC2=O 587462128 WNKYMEBKLVVYDF-SFHVURJKSA-N 330.811 4.790 50 1 EJGF N#C/C(=C(/O)COc1ccc(Cl)cc1)c1nc2ccccc2s1 101645334 BTOAIWHAYBRWQE-SQFISAMPSA-N 342.807 4.821 50 1 EJGF CCCCCC[C@H]1CC(=O)[C@@H]2CCCC[C@@]23CC[C@H](Cl)CN13 145418491 GMYMXBPMBUGRPG-LSTDLKDCSA-N 325.924 4.930 50 1 EJGF C=C1CC[C@@H](Br)C(C)(C)[C@]12CC[C@@](C)(O)[C@H](Cl)C2 5742195 GUFLNPTXIUFEGF-GBOPCIDUSA-N 335.713 4.655 50 1 EJGF Cc1cc2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc2c(C)n1 586972903 COQYXBLTYAZIOG-NSHDSACASA-N 344.256 4.621 50 1 EJGF CCCCCC[C@H]1CC(=O)[C@@H]2CCCC[C@@]23CC[C@H](CCl)N13 5782969 XOWGCGQWYJZFAT-MJQMVNBJSA-N 325.924 4.930 50 1 EJGF CC[C@H]1O[C@@H]2c3ccccc3CO[C@@H]2[C@H]1O[Si](C)(C)C(C)(C)C 211555532 HSOHTKJIALSTSM-BDXSIMOUSA-N 334.532 4.826 50 1 EJGF CC[C@H](C)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689140 PYYKKBAPBKDDOY-WMFXKJRFSA-N 348.687 4.603 50 1 EJGF C=C[C@](Br)(CBr)CC[C@H](Cl)C(C)C 1856063 LOHJESIGLRETPU-VHSXEESVSA-N 332.507 4.745 50 1 EJGF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C=O)C[C@@H]21 5821098 BGIBNWZALWRTHR-IAGOWNOFSA-N 328.452 4.915 50 1 EJGF biogenic C=CCC[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497035 BNVXEWPSWABOFZ-SFHVURJKSA-N 349.268 4.631 50 1 EJGF C=C(c1ccccc1)[C@H]1CCOC2(OO1)C1CC3CC(C1)CC2C3 44265322 ULFRQVQRUYXXSY-YTVQSGDASA-N 326.436 4.589 50 1 EJGF CC1=C(/C=C/[C@H](C)/C=N/NC(=O)c2ccncc2)C(C)(C)CCC1 45316267 UUNOZDXWBGFWMC-NGFHKKIPSA-N 325.456 4.516 50 1 EJGF Cc1ccc(/C=C(\C#N)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 587188506 ULSFZAMZPLQROZ-UKTHLTGXSA-N 327.309 4.954 50 1 EJGF Cc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497274 IOYSYAHSHBCGLS-NRFANRHFSA-N 340.850 4.973 50 1 EJGF CC[C@H](O[Si](CC)(CC)CC)[C@H](C)C=CC[C@@]1(C)O[C@H]1CO 2356705573 VHCRYLAOSJLICW-VSZNYVQBSA-N 328.569 4.519 50 1 EJGF C=C(c1ccc2c(c1)Cc1ccccc1-2)[C@@H]1COC2(CCCC2)OO1 43511412 WPFYEVYPAZSPHK-NRFANRHFSA-N 334.415 4.888 50 1 EJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(F)cc1)CC2=O 587466902 NZSKEYVRNBLOIR-IBGZPJMESA-N 348.801 4.583 50 1 EJGF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(CCl)c1)CC2=O 587460468 MTYHLMYEFXDHOR-HXUWFJFHSA-N 344.838 4.964 50 1 EJGF COC(=O)/C=C(\C)CC[C@@H]1[C@]2(C)C=C[C@]3(OO2)C(C)(C)CCC[C@@]13C 238768753 KWTCUQQOGRMZKD-HVLGYZSMSA-N 348.483 4.748 50 1 EJGF CCC=C[C@H](CC)C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356687710 YKVQDPOTKZFVCV-IMBTUZDBSA-N 326.477 4.828 50 1 EJGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@@H]1C=CCC=CCCCCC(=O)O 2356545051 BUSAMCWWFKPNGV-KCYAQADSSA-N 326.864 4.555 50 1 EJGF CCc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373764 SFJNWUTYWBJQDS-RNODOKPDSA-N 343.854 4.628 50 1 EJGF CC[C@]1(CCCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587686815 XPGBULQZHYRJDL-MEBBXXQBSA-N 348.687 4.747 50 1 EJGF CO[C@H]1O[C@]2(c3cccc4ccccc34)CC[C@H]3CCCC[C@]13OO2 38153518 CHYUSDHXRXQZLL-UMSONDCASA-N 340.419 4.666 50 1 EJGF Oc1ccc2c(c1)[C@@](c1ccccc1)([C@H](Cl)c1ccccc1)NCC2 963330287 WHXCICHKFTVHCK-YADHBBJMSA-N 349.861 4.762 50 1 EJGF C[C@]1(CCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326909 NHMAJDQLLVODAH-PKOBYXMFSA-N 348.801 4.668 50 1 EJGF C[C@H]1[C@@]2(C)CC[C@](C)(O2)[C@@]12CC[C@@](C)(Cl)[C@H](Br)C2 38541992 HRAYFOHNJWXJCV-RUDNTAQLSA-N 335.713 4.895 50 1 EJGF Cc1cc(C)c([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587373954 UUMOAYUDXOBMQH-HXUWFJFHSA-N 343.854 4.602 50 1 EJGF O=C(NC1CCCCC1)Oc1ccc([N+](=O)[O-])c(-c2ccccc2)c1 96167337 IWDFWFWIDREZJT-UHFFFAOYSA-N 340.379 4.683 50 1 EJGF CC(=O)O[C@@H]1C[C@H]2C(C(C)C)=CC[C@]2(C)CC2=C(C=O)CCC=C21 238740400 PFCUJCKUUCABGO-PWRODBHTSA-N 328.452 4.536 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)[C@@H](C)Cl)cc1 587905496 XBCRXIIXXAFDSO-GFCCVEGCSA-N 333.214 4.558 50 1 EJGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@H]2[C@H]1C=CCCCCCCCC(=O)OC 2356577384 BZWFAFPJUSEFSN-OREBXVKISA-N 342.907 4.867 50 1 EJGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC2=C(C)CCCC2(C)C)OO1 73312120 MRBQQESZUMBYBU-SYNHAJSKSA-N 338.488 4.972 50 1 EJGF COc1ccc(Cl)cc1C#Cc1ccc(/C(Cl)=C\C=O)cc1 587905857 KWFTUPBEVHUZTO-LICLKQGHSA-N 331.198 4.527 50 1 EJGF CC[C@H](C)c1ccc([C@@]2(CCl)NCCc3c(C)ccnc32)cc1 963091242 UOXAKHRSVOXBQC-VBKZILBWSA-N 328.887 4.532 50 1 EJGF O=C(Cl)CCCCCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587278979 CHFYMYMUIYPIQD-UHFFFAOYSA-N 337.759 4.630 50 1 EJGF Cc1cc2c(cc1F)[C@H](c1ccc(O[Si](C)(C)C)cc1)NCC2 962146180 NMAQNTVVACCAOJ-IBGZPJMESA-N 329.491 4.583 50 1 EJGF Cc1c(CCCl)c(Cl)n2c(nc3ccc(Cl)cc32)c1C#N 103281205 SYTLXIMVHSOSOC-UHFFFAOYSA-N 338.625 4.756 50 1 EJGF N#C/C(=C/c1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1 587188859 WJRNXOHANINYMA-WDZFZDKYSA-N 342.171 4.529 50 1 EJGF N=c1cc[nH]cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587248713 CFSXUENJCRZTHC-UHFFFAOYSA-N 336.289 4.695 50 1 EJGF COc1ccc(Cl)c(CN(CC(C)C)C(=O)/C=C/[C@H](C)Cl)c1 103286655 QJXAAZJVJYNPGS-LJLILKBBSA-N 344.282 4.517 50 1 EJGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(F)cc2[nH]1 586973394 JPOWOURQKYCJSZ-SNVBAGLBSA-N 333.204 4.749 50 1 EJGF CC(=C(C#N)c1nc2ccccc2s1)c1cc2ccccc2oc1=O 2356518120 GIVQZWYQWKNEPK-UHFFFAOYSA-N 344.395 4.857 50 1 EJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(C)cc1)CC2=O 587461213 RBYOCUSWHDTLKD-FQEVSTJZSA-N 344.838 4.753 50 1 EJGF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CCC1=C[C@@]3(C(C)C)CC[C@@]12OO3 2356621503 DGDPHTZXZIFFEV-QNDFHXLGSA-N 348.483 4.582 50 1 EJGF C=C1C(CC)=C(C#N)C(=O)N1c1c(Cl)cc(Cl)cc1Cl 64622102 REOXRXFKPFETMK-UHFFFAOYSA-N 327.598 4.737 50 1 EJGF COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1OCCCCl 103167718 GWTGXTOSQZEXTD-LFIBNONCSA-N 342.822 4.525 50 1 EJGF N#C/C(=C\c1ccccc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 38792905 NAUNQEWOCWFBOP-CPNJWEJPSA-N 349.393 4.858 50 1 EJGF COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2C(=O)Cl)cc1 958520490 BEDZYYUCUBOXNT-UHFFFAOYSA-N 347.201 4.580 50 1 EJGF CCCCCCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 299839524 SKGABILFZZEVPR-OAHLLOKOSA-N 349.887 4.743 50 1 EJGF CC[C@@H]1O[C@H]2[C@@H](Cl)C[C@H]1[C@@H]2C=CCC=CCCCCC(=O)O 2356594922 LTXCZILODOWVKG-IQWQSGHPSA-N 326.864 4.555 50 1 EJGF BrCCc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587207618 HKIKYPTYRNVYPP-UHFFFAOYSA-N 338.248 4.938 50 1 EJGF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C[C@H]2Cl 587496289 BBVVNTNSEAEFTJ-TZIWHRDSSA-N 338.834 4.590 50 1 EJGF C[C@@H](Cl)/C=C/C(=O)N(Cc1ccc(Cl)cc1)C1CCCC1 103272726 MUHRRPHSAVJOSP-ASJRZHAZSA-N 326.267 4.795 50 1 EJGF Clc1cc(Cl)c2c(c1)[C@@]1(CCC[C@@H](Br)C1)NCC2 963125057 SAHCNIPIQAGKQS-OTYXRUKQSA-N 349.099 4.672 50 1 EJGF CC1(C)[C@@H](Br)CC[C@@]1(C)C1=CC[C@](C)(Cl)[C@@H](O)C1 2356806143 VOEUCWZWNAXHEZ-JURCDPSOSA-N 335.713 4.655 50 1 EJGF COc1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1 586972705 AIJCHFQOTGSOLC-NSHDSACASA-N 345.240 4.618 50 1 EJGF N#Cc1ccc2c(C(=O)[C@@H](Br)c3ccccc3)coc2c1 587279295 QZSUIXOJYNFVGO-INIZCTEOSA-N 340.176 4.623 50 1 EJGF Cc1cc(Cl)cc2c(-n3nnc4ccccc43)c(CCl)[nH]c12 587623920 TZWBHVUQIWOJPF-UHFFFAOYSA-N 331.206 4.602 50 1 EJGF COc1ccc(Cl)cc1C#Cc1cccc(CBr)c1C 587899003 WRUJEGQCMPWXSD-UHFFFAOYSA-N 349.655 4.952 50 1 EJGF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C=O)C[C@H]21 32273983 BGIBNWZALWRTHR-IRXDYDNUSA-N 328.452 4.915 50 1 EJGF biogenic FC(F)(F)c1cc2nc(/C=C/CBr)[nH]c2cc1Cl 586973227 GWWVXMXJFDOCOA-OWOJBTEDSA-N 339.542 4.643 50 1 EJGF 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