smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1=C(CC/C(C)=C/CC/C(C=O)=C\C=C\C2=CC(=O)O[C@H]2O)C(C)(C)CCC1 40938581 CNZFPEKVGJSRBD-DBNLUOHASA-N 398.543 5.503 50 1 GKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)OO1 2356479094 CJMCHLFTZMZUPT-CQOQZXRMSA-N 392.580 6.776 50 1 GKGF [O-][n+]1ccccc1SCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586970342 XGPNIBDEZUEIFT-UHFFFAOYSA-N 383.367 5.146 50 1 GKGF CCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587685008 NMKAZGDKIHLODM-BUXKBTBVSA-N 396.731 5.167 50 1 GKGF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1)CC 2356382824 PAXJPQSBALSCDZ-DEXHYYOUSA-N 380.569 6.164 50 1 GKGF CC[C@H](c1ccc(O)cc1)[C@@H](CCOCCOCCCl)c1ccc(O)cc1 29398157 LDIXMJIPFXONFJ-YADHBBJMSA-N 392.923 5.037 50 1 GKGF C=C(CC[C@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCCC2)OO1 43356605 NTQUAEOCUORVMR-XZOQPEGZSA-N 380.484 5.341 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)([C@H](C)Cl)CC2=O 587461082 WEGWDEDCWMSXDQ-XMHCIUCPSA-N 383.875 5.314 50 1 GKGF Fc1cccc2c1[C@H](c1ccccc1S(F)(F)(F)(F)F)N1CCC[C@H]1C2 963101844 MESNUNXSMZNSJE-UGSOOPFHSA-N 393.396 6.593 50 1 GKGF N#C/C(=C\c1ccccc1OCCCN1CCCCC1)c1noc2ccccc12 40608813 IEPUHBIGCZEXOB-LVZFUZTISA-N 387.483 5.147 50 1 GKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](Cl)[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2356736152 VEIABLNKNSOQQY-HNELQEGVSA-N 392.967 5.303 50 1 GKGF N#C/C(=C/c1ccc(Cl)c(Cl)c1)CNC(=O)Nc1ccc(Cl)cc1 40565413 HQCVBLBVLDDKQL-GHXNOFRVSA-N 380.662 5.375 50 1 GKGF ClCCc1c(-c2ccc(Br)s2)nc2cccc3c2c1CC3 587359757 JAIDGNDLNJTVRL-UHFFFAOYSA-N 378.722 5.606 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@H](Cl)c1ccccc1F)CC2=O 587466659 NDFNKHGNOXFQST-YADHBBJMSA-N 388.866 5.578 50 1 GKGF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1 42875917 SQNNYRWDFNZPBJ-CMGFHMHLSA-N 392.580 6.155 50 1 GKGF CCOC(=O)[C@H](Cl)c1nc2cccc3c2c(c1C(C)C)-c1ccccc1C3=O 587102120 QXMCOGCAZPCBGT-HXUWFJFHSA-N 393.870 5.413 50 1 GKGF Cc1cc(C)c([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587500422 WTINIZVNCVJTCP-MZNJEOGPSA-N 382.931 5.979 50 1 GKGF Cc1cc2c(cc1F)[C@@](CCCCCl)(c1ccccc1C(F)(F)F)NCC2 962088204 DDXFUCRHGHJCRA-HXUWFJFHSA-N 399.859 5.951 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)c1ccc(C(F)(F)F)cc1 963229590 NZEVRTWCLKJVHB-QRWLVFNGSA-N 381.869 5.844 50 1 GKGF CCCCCCCCCCCCCCCNC(=O)NNC(=O)c1ccncc1 1857744433 WFPHPBZLXFXTOL-UHFFFAOYSA-N 390.572 5.117 50 1 GKGF O=C(/C=C/c1ccc(SCCCCBr)cc1)c1ccccc1 40404914 RAWYSTLZEJSFNE-JLHYYAGUSA-N 375.331 5.850 50 1 GKGF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)OO1 44404736 SQNNYRWDFNZPBJ-QWMSGDHLSA-N 392.580 6.155 50 1 GKGF COc1ccc(Cl)cc1C#CCc1cc(C)c(CBr)cc1C 587898190 GCBZEIUSHIHMFM-UHFFFAOYSA-N 377.709 5.455 50 1 GKGF C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587192188 WJKWVTPMELDXOE-SNVBAGLBSA-N 389.349 6.232 50 1 GKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(F)cc1 587570520 LDQLJUPWMIBHNC-UGKGYDQZSA-N 398.817 5.017 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(Oc3ccccc3)cc1)O2 587371923 ICJXQRPPKPAIMU-HSZRJFAPSA-N 393.870 5.469 50 1 GKGF CC(C)=CCC[C@H](C)[C@]1(O)CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(C=O)=CC[C@H]21 2356646723 NELFJHALXVSFHU-OXONCRMOSA-N 384.560 5.197 50 1 GKGF c1ccc(CC2(Cc3ccccc3)OOC3(O2)C2CC4CC(C2)CC3C4)cc1 43470192 QXYPUNJYVMXUEJ-UHFFFAOYSA-N 376.496 5.299 50 1 GKGF CCO/C=N/C1=C(C#N)[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)O1 64548393 YXFMJVLBWKOIRV-PZOAEKQQSA-N 398.462 5.001 50 1 GKGF C[C@@H](F)[C@H](N)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587126815 ZEDMFKVRXNUNTD-VHWMUFPASA-N 398.170 5.341 50 1 GKGF CCOc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496867 GNPWIIYXTLZFDY-CMJOXMDJSA-N 384.903 5.452 50 1 GKGF Cc1ccc([C@]2(CCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686649 WLFBYMUTVCMHAH-YJYMSZOUSA-N 396.731 5.303 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(Cl)Cl)(C(C)(C)C)N1 587690107 ZDVFYELVSYZZCJ-AYVTZFPOSA-N 383.132 5.168 50 1 GKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCCCCl)(c2ccc(C)cc2)N1 962945010 INZABXNXZCBSME-NTKDMRAZSA-N 380.963 6.053 50 1 GKGF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)cc(C)c(CCl)c1C)CC2=O 587458378 AUCRHGHSQFUONG-QHCPKHFHSA-N 386.919 5.889 50 1 GKGF O=C(CCCC[C@@H]1CCSS1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 49088156 IUSVMBOZLTXSSK-LLVKDONJSA-N 394.440 5.266 50 1 GKGF CCCCCC[C@@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963126263 WBXFRLFYDCIJRH-INIZCTEOSA-N 379.169 5.700 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=C[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C 2356386972 CAXVJDRXJFKYQP-ICDZXHCJSA-N 382.544 5.401 50 1 GKGF C/C(C=O)=C\CC/C(C)=C/CC[C@]1(C)C=Cc2c(c3ccccc3oc2=O)O1 238768661 PIQNDZNEMYTFJC-LMJZEAJWSA-N 378.468 5.609 50 1 GKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](Br)c2ccccc21 587460666 VKTYKJTWIKOGTM-OXJNMPFZSA-N 387.273 5.045 50 1 GKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccccc1F 587569722 SBMMDQJTPPTGFY-SIKLNZKXSA-N 398.817 5.017 50 1 GKGF N#C/C=C1\C=C(c2ccc(Br)cc2)N=C2Sc3ccccc3N21 101595431 PIPZIHWTQZQIEP-NTEUORMPSA-N 380.270 5.179 50 1 GKGF CCCc1c(O)ccc2c1O[C@H](c1ccc(CBr)cc1F)CC2=O 587467411 RKJWZLHUIBUGLV-SFHVURJKSA-N 393.252 5.085 50 1 GKGF Cc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587689505 TWQZHORVRFVIQQ-VPZZIHKRSA-N 396.731 5.302 50 1 GKGF COC(=O)C[C@]1(C)C[C@@](C)(C[C@H](C)CCCCCCc2ccccc2)OO1 85666473 RYNXSVDLWWRGRW-UEVCKROQSA-N 376.537 5.638 50 1 GKGF biogenic FS(F)(F)(F)(F)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586888584 LFJOVNHNAINDSG-KBXCAEBGSA-N 386.389 6.592 50 1 GKGF O=C1c2ccccc2-c2cc(-c3ccc(O)c(CCl)c3)nc3ccc(O)c1c23 586985889 LOPDOCOWPPEVTG-UHFFFAOYSA-N 387.822 5.263 50 1 GKGF Cc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498447 HEZUHEDJMYOWMW-OAQYLSRUSA-N 385.301 5.129 50 1 GKGF C[C@@]1(O)CC[C@H]2C[C@H]1OO[C@]2(CSc1ccc(Cl)cc1)c1ccccc1 253694608 BIEDNDKWYIQBRJ-LLUDDFSJSA-N 390.932 5.209 50 1 GKGF CCCCCCCCCCCCCC[C@H](I)C(=O)O 102184650 YLPKUDQPEREJNG-HNNXBMFYSA-N 382.326 5.966 50 1 GKGF COc1cccc(-c2cc(-c3ccc(N=C=O)cc3)nc3c2oc2ccccc23)c1 587360586 PGPQOQHEFKZGQT-UHFFFAOYSA-N 392.414 6.291 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1cc(C)c(C)cc1C)([C@H](C)Cl)CC2=O 587459177 NACYMMAVQJWEPX-HJPURHCSSA-N 386.919 5.758 50 1 GKGF CCOc1ccccc1OCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587780649 XCBXGPFTKSZUCH-UHFFFAOYSA-N 394.365 6.198 50 1 GKGF CC(=CCC[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)OO1)CCC1=C(C)CCCC1(C)C 2356747493 ZJKZMXQQSDVDLA-ZILOHOTNSA-N 392.580 6.610 50 1 GKGF CCC/C=C\[C@H]1COC(OOC2=C(CC)C[C@@H](/C=C\CCC)CO2)=C(CC)C1 59969035 TVZDQILKMVXSCD-JVANIMHPSA-N 390.564 6.963 50 1 GKGF biogenic,in-vitro O=C(CCl)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587101222 FGLPLCRWTAQBKA-UHFFFAOYSA-N 398.849 5.291 50 1 GKGF N#C/C(=C\c1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587189155 YTWFXLPNCINKDW-IZZDOVSWSA-N 392.178 5.408 50 1 GKGF CCCCC#Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 73170093 XKDXFLQQGCKPDS-XMMPIXPASA-N 378.475 5.600 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc(S(F)(F)(F)(F)F)cc(N)c1N 587917858 TVPJPQANIVZHTQ-UHFFFAOYSA-N 398.784 5.570 50 1 GKGF CC1=C(C#N)[C@H](c2cccnc2)C2=C(O)C[C@@H](c3ccc(Cl)cc3)CC2=N1 19762623 HOAKAIQPXAXYJA-KKSFZXQISA-N 375.859 5.460 50 1 GKGF COc1ccc(CSC/C=C\SSCc2ccc(OC)cc2)cc1 84564594 UJPVVPSYUJFMCH-DXNYSGJVSA-N 378.584 6.032 50 1 GKGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Cl)c1ccccc1)[C@@H](C2)C3=O 587417271 KTVWIDVAGSNEAW-IGKWTDBASA-N 390.866 5.318 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc(S(F)(F)(F)(F)F)cc(N)c1O 587917915 VKMODROPBFKZCQ-UHFFFAOYSA-N 399.768 5.694 50 1 GKGF C=CC[C@H]1[C@H](O)[C@]2(O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]1C[C@@H]2C(=O)OC 195517772 YIBLHUPWAMRDEZ-YHZBMZHBSA-N 396.644 5.073 50 1 GKGF CC(C)(C)N(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1Cl 204161900 UMDANDQXGFOBLD-UHFFFAOYSA-N 399.705 5.233 50 1 GKGF Fc1ccc(C[C@H](Br)c2cc3c4c(cccc4n2)CC3)c(F)c1F 587210389 QTKWGXLSDACTNW-ZDUSSCGKSA-N 392.218 5.429 50 1 GKGF N#CSC[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587531563 HNNXOMWNZMHWLZ-NRFANRHFSA-N 383.900 5.294 50 1 GKGF C=C1CCC[C@@H]2[C@H](CC[C@]3(C)CC[C@H]([C@H](C)C(=O)O)OO3)[C@@H](C)CC[C@@]12C 2356333736 VRMMLZKUQZCNHU-WMTGEMECSA-N 378.553 5.765 50 1 GKGF C/C(=C\CO)CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]21C 140220834 VUFPGDSZNJURQC-ANHLGCOGSA-N 387.402 5.072 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Cl)c1ccccc1)O2 587370767 BPYCNTINJXJUPH-GOTSBHOMSA-N 377.871 5.418 50 1 GKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CCCl)c2c1 587638901 JRGVIJSXWMYSKX-CYBMUJFWSA-N 390.752 6.892 50 1 GKGF Cc1ccc2c3c(cc([C@@H](Cl)c4ccc(F)cc4)nc13)-c1ccccc1C2=O 586996939 WRPMRDKRMPQNME-QFIPXVFZSA-N 387.841 6.222 50 1 GKGF Cc1cc(Cl)cc2c(CCBr)c(-c3ccc(Cl)cc3)[nH]c12 587623256 BRZGAKONRSLMRA-UHFFFAOYSA-N 383.116 6.388 50 1 GKGF CC(=CC=CCCCC=Cc1ccccc1)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 2356756176 CPCDZHAAYWQQMM-CAOCKLPOSA-N 396.527 5.948 50 1 GKGF CC(C)(F)[C@H](Br)c1nc2cc(Br)cc(Cl)c2[nH]1 587087063 LMRDIDFDGGNVRK-SECBINFHSA-N 384.474 5.163 50 1 GKGF N#CSC[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587531566 HNNXOMWNZMHWLZ-OAQYLSRUSA-N 383.900 5.294 50 1 GKGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(CCCCl)c1ccc(F)c(F)c1 963087502 CSVYMQIULHVVMW-LAUBAEHRSA-N 379.853 5.387 50 1 GKGF O=c1c([C@@H]2N=C(c3ccccc3)SS2)coc2cc(Cl)c(F)cc12 43120983 SJBLEDKABBSALX-QGZVFWFLSA-N 377.849 5.426 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(C(C)C)cc1C(C)C)O2 587372737 MTZRPZFBLGFQTQ-QHCPKHFHSA-N 385.935 5.924 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CSC#N)(c1ccc(Cl)cc1)CC2=O 587492195 NNSYGTCVAZTLRS-HXUWFJFHSA-N 387.888 5.073 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2C(CCCCl)(CCCCl)N1 587685415 QNQJLERGZJUNHD-LLVKDONJSA-N 397.159 5.356 50 1 GKGF C[C@](Cl)(C=C[C@H](Br)[C@@](C)(Cl)C=CCl)CBr 2356738069 VYKLGBHBSJDLRH-GUBZILKMSA-N 399.381 5.449 50 1 GKGF Nc1cc(S(F)(F)(F)(F)F)ccc1CS(=O)(=O)Cc1ccccc1 263583499 CAASWDNHLWHTBG-UHFFFAOYSA-N 387.395 5.041 50 1 GKGF C[C@@H](Sc1ncccn1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586963310 ZSPQSKGSINKWFP-MRVPVSSYSA-N 382.383 5.864 50 1 GKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(CCCCl)CCCCl 587541656 COSQKLQUYFFJQG-QGZVFWFLSA-N 395.282 5.131 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(Cl)Cl)(C(C)(C)C)N1 587690109 ZDVFYELVSYZZCJ-VXJOIVPMSA-N 383.132 5.168 50 1 GKGF Fc1ccc([C@@]2(CCCCCl)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963108339 LIRVGRLMWMHHRB-UGKGYDQZSA-N 375.890 5.638 50 1 GKGF Fc1cccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c1CBr 963121521 MBYVGMFVAMAERW-MRXNPFEDSA-N 389.095 5.263 50 1 GKGF C=C1CC[C@H](Br)[C@]2(C)CC[C@H](C(C)=CC=CC(C)(C)OC)C[C@]12O 2356435262 ABUOJYVVQSTENN-QIJZPMMNSA-N 397.397 5.565 50 1 GKGF C[C@@]1(c2ccc3ccccc3c2)CC(c2ccc3ccccc3c2)=CC(N)=C1C#N 40789633 ZOGKZUFFRMWNRK-NDEPHWFRSA-N 386.498 6.474 50 1 GKGF C[C@H](F)[C@@H](N)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587126813 ZEDMFKVRXNUNTD-RNHFCUEFSA-N 398.170 5.341 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCC3)([C@@H](C)Cl)CC2=O 587457906 DAYKJUQGNNVQFI-QKFKETGDSA-N 384.903 5.321 50 1 GKGF CCCc1c(O)ccc2c1O[C@@H](c1cccc(CBr)c1F)CC2=O 587465223 BYDUJMLURLZGQJ-QGZVFWFLSA-N 393.252 5.085 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c3cc(F)ccc13)CC2=O 587471943 MYUSAFGXLPVIEJ-OAQYLSRUSA-N 387.838 5.065 50 1 GKGF CC[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500558 SLDLSLYDMILOLA-IFMALSPDSA-N 399.328 5.600 50 1 GKGF CC/C(=C\c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587969189 ZLMFZRPPVNKKMO-JLHYYAGUSA-N 388.405 7.479 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC)c(CCl)c1)CC2=O 587462094 WDJIMPCJPFETOT-JOCHJYFZSA-N 388.891 5.363 50 1 GKGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495894 ARCIGLGALILMIY-HSZRJFAPSA-N 399.918 5.066 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(CCl)c2)N1 587686847 XSAIQAQYWSQVCR-BBATYDOGSA-N 382.704 5.125 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Cl)c2ccccc2)N1 587689225 QZYGQRBJWNFQIO-AFBMGJRZSA-N 382.704 5.318 50 1 GKGF C[C@@]1(c2cccc(N=C=S)c2)c2ccsc2CCN1Cc1cccnc1 963002352 ZLHPBABKJGOPAH-OAQYLSRUSA-N 377.538 5.199 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)c1c[nH]c2cc(OC)ccc12 963228062 KMHVOMXTBGYLEO-QMHKHESXSA-N 382.935 5.316 50 1 GKGF S=P(C1CCCCC1)(C1CCCCC1)[C@H](c1cccnc1)N1CCCC1 1569276 FBWTYIXFANPCFM-JOCHJYFZSA-N 390.577 6.321 50 1 GKGF in-vitro C=C1CCC[C@@H]2[C@@](C)(CC[C@@]3(C)CC[C@H]([C@H](C)C(=O)O)OO3)[C@H](C)CC[C@@]12C 85562480 SQNNYRWDFNZPBJ-IEUDBEKPSA-N 392.580 6.155 50 1 GKGF C[C@H](Cl)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570862 MGBVYGKNEPBOPT-NCNFXNTHSA-N 398.817 5.016 50 1 GKGF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCC[C@H](O)C#N)cc1OC2(C)C 36294751 BKKMOWQXXQOKTO-IPMKNSEASA-N 383.532 5.335 50 1 GKGF C/C(=C\Cc1ccccc1)CCC[C@H](C)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@H]2OO1 85775913 IDTXMDHREDKNGT-QZTWUPOASA-N 386.532 5.557 50 1 GKGF C=C[C@@](C)(Cl)[C@@H](Cl)/C=C/C(=C/Cl)C(Br)Br 85952055 QCIBPHNBCUZFCG-PVIHUQRYSA-N 397.365 5.572 50 1 GKGF CC[C@@H](C)SSc1nc2ccc(I)cc2s1 95595109 FAUAEYITNLVZSK-SSDOTTSWSA-N 381.329 5.440 50 1 GKGF N#C/C(=C\c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1 200009347 UVAAAQSMOMGMPU-NBVRZTHBSA-N 382.850 6.278 50 1 GKGF CC1=C[C@]2(C=C(C=O)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(/C)C/C=C\C(C)C)C1 238786796 DXVXAEIEQRNUAO-XGQBWWAHSA-N 396.527 5.026 50 1 GKGF Cc1ccc([C@@]2(CCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587686096 SOPRUJGUFPDONL-BFUOFWGJSA-N 396.731 5.303 50 1 GKGF CCCCCC#CCO/C(O)=C(\[N+]#N)P(=O)(c1ccccc1)c1ccccc1 136383631 UHTKGZIQTSOTIA-UHFFFAOYSA-O 395.419 5.138 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(-c3ccccc3)cc1)O2 587371544 GPVUQDOGIFUKHC-QHCPKHFHSA-N 377.871 5.344 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)[C@@H](O)CC1(C)C 2356702997 GTOIUXBIUCWSNU-QHCPKHFHSA-N 380.528 5.369 50 1 GKGF C[C@@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(CSc1ccc(Cl)cc1)c1ccccc1 43523829 BIEDNDKWYIQBRJ-DVWBAYGPSA-N 390.932 5.209 50 1 GKGF CCOC(=O)[C@H](Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587358539 RSVXIWNCUPWGOP-LJQANCHMSA-N 395.842 5.500 50 1 GKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cccs2)[C@@H]1c1ccc(F)cc1 587375527 MRQGPWHAUSUQSV-UYAOXDASSA-N 388.847 5.086 50 1 GKGF CCC=CC[C@@H](C=CC=CCC=CC=C[C@@H](CCCCCC(=O)O)OO)OO 2356616199 SRKAMEOZEBOPRP-SFTDATJTSA-N 394.508 5.709 50 1 GKGF Cc1cccc(Nc2ccccc2C(=O)N/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)c1C 103161036 KNPOGIABYHECLH-UFEAZOEUSA-N 389.543 5.979 50 1 GKGF C=C1[C@@H](O)C[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(OCC)OCC 238783751 YDTXZIZBGGRDRX-YATZXNTPSA-N 392.580 5.061 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCC3)([C@H](C)Cl)CC2=O 587457905 DAYKJUQGNNVQFI-PSLXWICFSA-N 384.903 5.321 50 1 GKGF Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCl)cc1 587626098 PNCARBOEOHIWKA-UHFFFAOYSA-N 395.705 6.750 50 1 GKGF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(SC#N)cc1 587867296 ZDEOPEZDEHPOEX-UHFFFAOYSA-N 389.402 5.530 50 1 GKGF C=C1CC[C@@H]2[C@](C)(C(=O)O[Si](C)(C)C)CCC[C@]2(C)[C@@H]1CC=C(C)CC 2356331962 XDOALGMSEJUNPF-IRMYBRCSSA-N 376.657 6.890 50 1 GKGF C=C[C@@](C)(Cl)[C@H](Cl)C=CC(=CCl)C(Br)Br 2356489249 QCIBPHNBCUZFCG-PSASIEDQSA-N 397.365 5.572 50 1 GKGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587419696 XUSFTJZJOWYHEN-RDPSFJRHSA-N 390.866 5.244 50 1 GKGF C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963099837 AXYQGLAEVKHXRN-FBOFTVOISA-N 385.954 6.015 50 1 GKGF CCC=CC=CC=CCCCCCCCC[C@@]1(C)C[C@](C)(CC(=O)OC)OO1 2356648637 KQFXTDFWOPMDIE-ZEQRLZLVSA-N 392.580 6.618 50 1 GKGF C=C(c1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1COC2(CCCC2)OO1 58506772 SAMDRZLCYXGSTN-XMMPIXPASA-N 388.463 6.263 50 1 GKGF ClCC/C=C/c1ccc(OCc2ccc(OCCN3CCCCC3)cc2)cc1 96938084 KAVUXDHABHCHCM-QHHAFSJGSA-N 399.962 5.772 50 1 GKGF C[C@@H](Br)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587532625 RDCGPHOGMPODCT-CWTRNNRKSA-N 391.330 5.271 50 1 GKGF CCOc1ccc([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)cc1CCl 962671158 SHFYPLZHRNCHSR-RUZDIDTESA-N 391.942 5.900 50 1 GKGF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H]1C[C@]3(CC[C@H]([C@H](C)C(=O)OC)OO3)CC[C@@]21C 2356331390 ZQSPCLSXMHXWQA-VUQJFAEZSA-N 390.564 5.608 50 1 GKGF CC(C=O)=CCCC(C)=CCCC(C)=CCCC(C)=CCOC(=O)C(C)=CO 2356544944 JYQVRBSGMTVCKG-UHFFFAOYSA-N 388.548 6.316 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1c(C)[nH]c3ccccc13)([C@H](C)Cl)CC2=O 587459199 NDFLSXOXJQRELU-LFVRLGFBSA-N 397.902 5.622 50 1 GKGF C=C[C@@]1(C)C[C@@H](C=C(C)CCC=C(C)C=O)Oc2oc3cccc(C)c3c(=O)c21 2356431185 GBIHCVINTFQKQS-CLOONOSVSA-N 392.495 5.568 50 1 GKGF N#C/C(=C/c1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587187698 JULGOLOEZNBIRW-WDZFZDKYSA-N 392.178 5.408 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1cccc(Cl)c1)CC2=O 587493614 STMSSMRKIIXQGS-FQEVSTJZSA-N 387.888 5.073 50 1 GKGF O=C(Cl)c1ccc(Oc2ccc(C(=O)c3coc4ccccc34)cc2)cc1 587280828 ZXEYTVSDGNLEIA-UHFFFAOYSA-N 376.795 5.835 50 1 GKGF CCCc1c(O)ccc2c1O[C@](C)([C@H](Br)c1ccccc1)CC2=O 587455956 HZJMNLOPSBFUOD-UXHICEINSA-N 389.289 5.205 50 1 GKGF COc1ccc(S(F)(F)(F)(F)F)cc1[C@@H]1NCCc2cccc(Cl)c21 963381115 PNKDMOYZNDSFJR-INIZCTEOSA-N 399.812 6.241 50 1 GKGF FS(F)(F)(F)(F)c1ccc(N=c2[nH]c3ccccc3nc2Cl)cc1 1857602939 CRXACDPFEZFMRF-UHFFFAOYSA-N 381.757 6.106 50 1 GKGF CN(/N=C/c1cccc2cnccc12)C(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 95573901 NDYHSLXSFZFYCJ-PGEBIHSWSA-N 385.511 5.128 50 1 GKGF Cc1cc(C)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C 587499264 SBTAMTNLYALTQS-DEOSSOPVSA-N 382.931 5.899 50 1 GKGF CCc1c2c3n4c1CCC[C@@H]4C[C@@H]3O[Si](C(C)C)(C(C)C)O[C@H](C)C2=O 197281648 LVDNCHOYGZNAMF-RKVPGOIHSA-N 375.585 5.253 50 3 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c3c(CC)cccc13)CC2=O 587458609 CMYZZGQSRMJVHI-QHCPKHFHSA-N 397.902 5.488 50 1 GKGF COC(=O)C[C@]1(C)C[C@](C)(C[C@@H](C)CCCCCCc2ccccc2)OO1 85666475 RYNXSVDLWWRGRW-AJSBUHFISA-N 376.537 5.638 50 1 GKGF biogenic FS(F)(F)(F)(F)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586882894 CPKHOFBYFODFGE-NDBFUVGKSA-N 378.410 6.688 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCCCl)(c1ccc(F)cc1)CC2=O 587468505 VROQNITZYYLXMN-OAQYLSRUSA-N 376.855 5.364 50 1 GKGF CCCCCCS[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 1857539571 DDGLJMZWPOCFNF-RCQQOWRMSA-N 384.582 5.508 50 1 GKGF BrCCCCCOCCc1ccc(OCc2ccccc2)cc1 1857590063 LSHHXYNXVHPIJH-UHFFFAOYSA-N 377.322 5.390 50 1 GKGF C[C@](Cl)(C=CCl)[C@@H](Cl)C=C[C@@](Cl)(CCl)CBr 2356521009 HCTBSUXDIUTHQM-GUBZILKMSA-N 389.375 5.511 50 1 GKGF CO[C@@H]1[C@H]2C[C@H](C(C)C)[C@@]3(CC[C@@]4(C)[C@H]([C@@H]13)[C@@](C)(O)CC[C@H]4Br)C2 2356530552 FKYQRKFANNKCHE-BUBFKRMMSA-N 399.413 5.024 50 1 GKGF CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 299865769 OCEQQFBEOIZDSD-RVDMUPIBSA-N 384.405 5.492 50 1 GKGF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](Br)CCCC3 586985453 HRMFDJRTOWSJDQ-AWEZNQCLSA-N 394.268 5.314 50 1 GKGF O=C1C[C@@](CBr)([C@@H]2Cc3ccccc32)Oc2c1ccc1c2CCCC1 587499453 NFNCHIZYNWVYQO-DENIHFKCSA-N 397.312 5.004 50 1 GKGF O=C1C[C@@H](c2ccc(F)cc2CBr)Oc2c1ccc1c2CCCC1 587500844 DKVDWMGJQBGAME-IBGZPJMESA-N 389.264 5.306 50 1 GKGF Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587689215 QXELYFTWFCTDKJ-ORAYPTAESA-N 396.731 5.222 50 1 GKGF COc1ccc(-c2csc(CCCC[C@H]3CCSS3)n2)cc1OC 28823712 JZBHVOBPEGEHHE-AWEZNQCLSA-N 381.588 5.694 50 1 GKGF CC(C)(F)[C@@H](Br)c1nc2cccc(OCc3ccccc3)c2[nH]1 587087313 OFUOZCVOVLDYGF-INIZCTEOSA-N 377.257 5.326 50 1 GKGF C=C1CCCC(C)(C)[C@@H]1CC[C@@H](C)CCC[C@@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 43543958 VCZNGUOXJKTDBG-AKCMNMBSSA-N 394.596 6.546 50 1 GKGF COc1ccc(C[S@](=O)C/C=C\SSCc2ccc(F)cc2)cc1 84541553 DLONVWQFLJKGHU-UWHQXSCGSA-N 382.547 5.178 50 1 GKGF CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(/C=C\c1ccccc1)c1ccccc1 101406568 IWLDRSHCOSMYIA-UPBZKMGVSA-N 378.468 5.048 50 1 GKGF CC1=C(CC/C(C)=C/CC/C(C)=C/CC/C(C=O)=C\C(=O)O)C(C)(C)CCC1 166757174 MGMXLKKZMIONLA-WOUJRAABSA-N 386.576 6.956 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cccc(OC(F)(F)F)c1CCl 587915512 WHMNEEIEYGVFLC-UHFFFAOYSA-N 375.173 5.386 50 1 GKGF O=C(Oc1cccc(/C=C2\Cc3ccccc3C2=O)c1)c1cccc(CCl)c1 1857763437 ICIQXHALGMGKAE-RGVLZGJSSA-N 388.850 5.467 50 1 GKGF CSc1nc(Nc2ccccc2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 28862118 JYRWBVRMNWJXEK-QGZVFWFLSA-N 395.919 5.272 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCCCl)c1ccc(Cl)s1 963237876 HGDWCCPIMRXUPK-MGPUTAFESA-N 382.400 6.321 50 1 GKGF C[C@H]1CCC[C@H](C)N1C(=S)SSC(=S)N1[C@@H](C)CCC[C@@H]1C 169300712 XRORLWPRKFETCJ-XUXIUFHCSA-N 376.682 5.463 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 586904172 RGCHSDVQCPWXEI-UHFFFAOYSA-N 388.361 6.752 50 1 GKGF Cc1ccc([C@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498455 HKXXICQMVUCOKS-IVZQSRNASA-N 399.328 5.518 50 1 GKGF CCCC=CC=CCCCCCCCC[C@]1(C)C[C@]2(C)OC(=O)C[C@H]2OO1 2356402410 GMLLVOJRMHMDIV-MZYLBHOOSA-N 378.553 6.205 50 1 GKGF CC(C)CCC[C@H](C)CCC[C@H](C)CCCC1=CC[C@H]2C(=O)OC(=O)[C@@H]2C1 43284800 UJZSKNNWYHCFEO-SEIRJHJZSA-N 376.581 6.462 50 1 GKGF COc1ccc(CSS/C=C\C[S@](=O)Cc2ccc(OC)cc2)cc1 84564592 WVJMPUWJWCALBP-OGORIGKKSA-N 394.583 5.048 50 1 GKGF C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495832 AHOXAKKGFUASSF-LMKMVOKYSA-N 396.958 6.351 50 1 GKGF Cc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587499295 LWQNIPHJMBRJCM-QFIPXVFZSA-N 399.328 5.438 50 1 GKGF COc1c(Cl)cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1Cl 1857569774 CSKJVMHWKACIMW-GOSISDBHSA-N 397.261 5.373 50 1 GKGF COC(C)(C)[C@@H](Br)c1nc2cccc(OCc3ccccc3)c2[nH]1 586971386 ROKVETGPPKVSLI-KRWDZBQOSA-N 389.293 5.003 50 1 GKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@]1(C)CC[C@@H]1OC1(C)C 2356459019 YSEOBWHSSYMSKX-QBYKVAOYSA-N 385.386 5.397 50 1 GKGF CC[C@H](c1ccc(O)cc1)[C@@H](CCI)c1ccc(O)cc1 25967144 KMOUPDMGFJLHJS-MSOLQXFVSA-N 396.268 5.200 50 1 GKGF CCCCCCc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372395 KYFQICCGGOSGHS-OSPHWJPCSA-N 399.962 6.188 50 1 GKGF Cc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498415 HEZUHEDJMYOWMW-NRFANRHFSA-N 385.301 5.129 50 1 GKGF Cc1ccc2ccccc2c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586883017 FDULXQCTRQGNNM-UHFFFAOYSA-N 384.373 7.349 50 1 GKGF Cc1ccc2c3c(c(CCCl)c(-c4ccccc4)nc13)-c1ccccc1C2=O 586992617 FDUDEDPTNBURPR-UHFFFAOYSA-N 383.878 6.203 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(CCl)c2)N1 587683390 GSTAOMFYIYAGPB-ADLMAVQZSA-N 382.704 5.125 50 1 GKGF C/C(=N\NC(=O)/C=C/c1ccc(C(C)C)cc1)c1ccc(C2CCCCC2)cc1 1857639050 ILAZSKVVJGRCHQ-MNLPGJQNSA-N 388.555 6.411 50 1 GKGF C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@]2(CSc1ccc(Cl)cc1)c1ccccc1 101403796 BIEDNDKWYIQBRJ-MBPVOVBZSA-N 390.932 5.209 50 1 GKGF C[C@@]1(c2ccccc2NC(=O)CCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499614 WIOXMNKCNRUWNE-QHCPKHFHSA-N 397.902 5.013 50 1 GKGF FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3)c(CCl)[nH]c2c1 587626818 XIVUZOYKVKYPKV-UHFFFAOYSA-N 377.715 6.611 50 1 GKGF Cc1ccc(N[P@](=O)(Oc2ccccc2)N(CCCl)CCCl)cc1 6487247 CZZICUIIFOMZFN-DEOSSOPVSA-N 387.247 5.374 50 1 GKGF CC(C)(SCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)O 586958488 DUFCWOFXTKYERY-UHFFFAOYSA-N 376.372 5.317 50 1 GKGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(CBr)cc1)CC2=O 587455852 GXULDWRDUPVWFR-FQEVSTJZSA-N 389.289 5.120 50 1 GKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c(C)c1C 587496846 GKBLLZBUXCROFJ-DEOSSOPVSA-N 382.931 5.899 50 1 GKGF CC[C@H](C)c1ccc2[nH]c(CCl)c(-c3cccc(Br)c3)c2c1 587637888 AZEUIUQJBBLWEM-LBPRGKRZSA-N 376.725 6.850 50 1 GKGF C[C@H]1C[C@@](C)(C[C@H](C)CCCCCCCCc2ccccc2)OO[C@]1(C)O 2356509018 YSHAXSNVWDJIDZ-JSRBNTPPSA-N 376.581 6.441 50 1 GKGF C[Si](C)(C)OC(=O)C=Cc1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1 2356649424 MBIYCWDFSLHMSI-UHFFFAOYSA-N 396.708 5.505 50 1 GKGF CCC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499868 WKRGBOMXMPCCIJ-QHCPKHFHSA-N 397.902 5.013 50 1 GKGF CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)c1C 587921421 XDBKBOUCNJOBAD-VCHYOVAHSA-N 381.932 6.356 50 1 GKGF CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1 40685324 PCQUAJYZDJNEOD-JSMIYBGHSA-N 390.508 5.621 50 1 GKGF CC1=C(CC[C@]2(C)CC[C@H]([C@@H](C)C(=O)O)OO2)[C@]2(C)CCCC(C)(C)[C@H]2CC1 42920156 JEKNAOQKJDUVOS-BSSSKNGPSA-N 392.580 6.300 50 1 GKGF Cc1ccc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587543393 KKADEXPMYOCARA-REWPJTCUSA-N 394.854 5.105 50 1 GKGF O=[N+]([O-])c1ccc2c(CCl)c(-c3ccc(Br)cc3F)[nH]c2c1 587645540 BZAQTTFJVJKFPW-UHFFFAOYSA-N 383.604 5.384 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(OCCCCl)cc1O 963225758 FYRWYZGRAHVPTQ-HXOBKFHXSA-N 387.951 5.320 50 1 GKGF O=[N+]([O-])c1c(F)c(F)c2c(c1F)N(CCCCCl)c1ccccc1S2 1646842 XBXKXDVDDODFII-UHFFFAOYSA-N 388.798 5.634 50 1 GKGF C/C(C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C 13371201 CAXVJDRXJFKYQP-JDNBMUGCSA-N 382.544 5.401 50 1 GKGF endogenous,in-man C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccc(C(C)(C)C)o3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103190890 YDDPDAROTKRINH-ACTMQWCDSA-N 390.520 5.500 50 1 GKGF CC(C)(F)[C@@H](Br)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587086736 HQVIIWODRPZNHS-INIZCTEOSA-N 377.257 5.326 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c3cccc(C)c13)CC2=O 587461856 UOZFQVURHFWPGJ-JOCHJYFZSA-N 383.875 5.234 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cccc(C(F)(F)F)c1)CC2=O 587464186 KTXZMSVAGWMPKI-IBGZPJMESA-N 398.808 5.463 50 1 GKGF COc1ccc2c(c1)[C@](C)(c1cc(Cl)cc(CCl)c1O)N(C(C)C)CC2 962095852 XBTLUZDUEUUPCL-OAQYLSRUSA-N 394.342 5.323 50 1 GKGF C[C@]1(CC(=O)NCc2ccc(-c3ccccc3)cc2)CC2(CCCCC2)OO1 44417425 CEBOIAHQPQFNRQ-QHCPKHFHSA-N 379.500 5.173 50 1 GKGF COc1cccc(-c2cc(-c3cccc(N=C=O)c3)nc3c2oc2ccccc23)c1 587359096 CTOZCIQFHNUDAH-UHFFFAOYSA-N 392.414 6.291 50 1 GKGF O=N[C@H](Cl)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500213 YUNITLBOOHSUSM-VQTJNVASSA-N 390.266 5.411 50 1 GKGF N#C/C(=C\c1cnc(Nc2ccc(Cl)cc2)nc1)c1nc2ccccc2s1 1857747093 RJXKYNINOLGRFQ-NTEUORMPSA-N 389.871 5.547 50 1 GKGF N#C/C(=C\c1c(-c2ccccc2)[nH]c2ccccc12)S(=O)(=O)c1ccccc1 140043595 KXJCSTMYCGMREV-XDJHFCHBSA-N 384.460 5.173 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(OC(F)(F)F)c(CCl)c1 587915642 YDSIHFCCQPFIKW-UHFFFAOYSA-N 375.173 5.386 50 1 GKGF COc1ccc2nc3ccccc3c(NCCCCCCN(C)CCCl)c2c1 5893014 YOYAIOLIJDNUNQ-UHFFFAOYSA-N 399.966 5.540 50 1 GKGF C[C@]1(c2ccc3ccccc3c2)CC(c2ccc3ccccc3c2)=CC(N)=C1C#N 40789631 ZOGKZUFFRMWNRK-MUUNZHRXSA-N 386.498 6.474 50 1 GKGF C[C@@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495827 AHOXAKKGFUASSF-CPJLOUKISA-N 396.958 6.351 50 1 GKGF N#CC(C#N)=Cc1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)o1 1857751531 GBYCPXROHVGSKM-UHFFFAOYSA-N 382.427 5.060 50 1 GKGF c1c2c(cc3c1SSc1cc4c(cc1SS3)OCCO4)OCCO2 299868550 RSRSPFXTUBMBFC-UHFFFAOYSA-N 396.536 5.141 50 1 GKGF CCCCC1CCC(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 586892099 UAKXKFDAQPWWNX-UHFFFAOYSA-N 382.442 7.684 50 1 GKGF COc1ccc([C@@H]2C(C#N)=C(Cl)Oc3c2ccc2ccccc32)cc1OC 1857614288 QWGBFEYUXCGYSY-FQEVSTJZSA-N 377.827 5.355 50 1 GKGF O=P(c1ccccc1)(c1ccccc1)N(Cc1ccccc1)c1ccccc1 68600978 PULSXLPSXBSHCP-UHFFFAOYSA-N 383.431 5.622 50 1 GKGF biogenic COC(=O)CCCCCCC/C=C\C/C=C/CCCCCO[Si](C)(C)C 195805942 PXCVUVNYVTZSNY-QEYVUMQQSA-N 382.661 6.805 50 1 GKGF COc1ccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1OC 587926167 JURMUOZZUZOTII-UHFFFAOYSA-N 394.365 5.828 50 1 GKGF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(CCCC[C@@]5(C)C3=CC[C@@]12C)OO4 2356753917 PHIXKPKYKLOBJF-SIKJCXBZSA-N 396.615 7.177 50 1 GKGF Cc1cc(/C=C/C#N)cc(C)c1Nc1ccc(F)c(Nc2ccc(C#N)cc2)n1 213668000 CMQPMUJEUWIVKX-ONEGZZNKSA-N 383.430 5.733 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587037792 YKFZHHQWGGAYOM-CYBMUJFWSA-N 398.447 6.661 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@H](C)Br)CC2=O 587492942 DGBDNCMLGRQHLF-BBATYDOGSA-N 395.318 5.050 50 1 GKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(F)cc1 587570517 LDQLJUPWMIBHNC-KNQAVFIVSA-N 398.817 5.017 50 1 GKGF CC(C)(C)/C=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28639705 RFOPDYJWEUELPH-CVKSISIWSA-N 389.543 5.464 50 1 GKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(C2)c2c(F)cccc2C[C@@H]2CCCN21 963117310 YUOPCNHUQCKDLE-QFIDOLFYSA-N 392.356 5.263 50 1 GKGF CC1=NC(C)=C(C#N)[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)[C@@H]1C#N 169692384 JVPROQBJNYSUDC-DYESRHJHSA-N 383.480 5.096 50 1 GKGF C[Si](C)(C)OC(=O)/C=C/c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1 195780850 MBIYCWDFSLHMSI-ACCUITESSA-N 396.708 5.505 50 1 GKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@H]1[C@H](C)C=C(C)CO 2356705989 MQYNZOSOJSWUMT-WKRCXCSHSA-N 386.649 5.272 50 1 GKGF CC1=C(CC[C@@]2(C)[C@@H](C3=CC(=O)OC3)[C@H]3C=C(C=O)CC[C@H]32)C(C)(C)CCC1 2356803833 XMBWEHWGNKXFRT-MXSFIFILSA-N 382.544 5.564 50 1 GKGF C=C1CCC[C@@H]2[C@@](C)(CC[C@]3(C)CC[C@H]([C@@H](C)C(=O)O)OO3)[C@H](C)CC[C@@]12C 43080319 SQNNYRWDFNZPBJ-UNTXESCWSA-N 392.580 6.155 50 1 GKGF CCC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)CCCC2 103234588 JHVCEIOLIXXIBR-WNAAXNPUSA-N 386.495 5.358 50 1 GKGF CC1=C[C@]2(C=C(C=O)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(\C)C/C=C\C(C)C)C1 238786795 DXVXAEIEQRNUAO-FGCFBMMFSA-N 396.527 5.026 50 1 GKGF O[C@H]1C[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2ccccc21 586902772 MJVSLUKRJJYCFS-WFASDCNBSA-N 376.350 5.789 50 1 GKGF C[C@H](Cl)C(=O)Nc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497537 IYDZRSBGNFMXCF-PSLXWICFSA-N 397.902 5.012 50 1 GKGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(N=C=S)cc1)[C@@H](C2)C3=O 587452226 NFIDNIOSCSPWBA-RDPSFJRHSA-N 399.471 5.121 50 1 GKGF Cn1c(SSc2ccccc2)c(C(=O)Nc2ccccc2)c2ccccc21 13737580 ULDPDJYUQOVMMM-UHFFFAOYSA-N 390.533 6.230 50 1 GKGF C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(CSc1ccc(Cl)cc1)c1ccccc1 102222309 BIEDNDKWYIQBRJ-SEVLPDGMSA-N 390.932 5.209 50 1 GKGF CCC(CC)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324695 STRISHSNGNMWKJ-TZIWHRDSSA-N 376.855 5.304 50 1 GKGF C[C@H]1CCC[C@H](C)N1C(=S)SSC(=S)N1[C@@H](C)CCC[C@H]1C 45256977 XRORLWPRKFETCJ-XDQVBPFNSA-N 376.682 5.463 50 1 GKGF CCO/C=N/C1=C(C#N)[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)O1 64548395 YXFMJVLBWKOIRV-LJSITOCPSA-N 398.462 5.001 50 1 GKGF CCCCCCCCCCCCC[C@@H](I)CC(=O)OC 85941626 HAIXEBKADVSBOC-MRXNPFEDSA-N 396.353 6.054 50 1 GKGF biogenic CCCn1c(C)cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587497004 HCCYAEFAHMASII-HSZRJFAPSA-N 385.935 5.493 50 1 GKGF CC1=CC[C@@H]2[C@H](C1)c1c(O)cc(CC#C[C@@H](C)Br)cc1OC2(C)C 36294760 HFQLAXKYDSXFCZ-HYVNUMGLSA-N 389.333 5.332 50 1 GKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1F 587509556 ZVNUPKCEXODBSN-NRFANRHFSA-N 393.285 5.766 50 1 GKGF CCCCCCCCCCc1cc2c(=O)n(CCBr)cnc2s1 653735576 UHLQADSARNOEME-UHFFFAOYSA-N 399.398 5.536 50 1 GKGF N#CC1=C(N)OC(c2ccccc2)=C[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 95602445 VLVPKTXEZLFFRP-FQEVSTJZSA-N 389.458 5.684 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586974080 QGNSSHKUXDCHSC-QMMMGPOBSA-N 385.092 5.311 50 1 GKGF N#C/C(=C/c1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587188574 TXIXXQJOZMALBF-WDZFZDKYSA-N 381.279 5.665 50 1 GKGF CCCCCOc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1Br 587008435 OSSHQHOCOUKDDC-JTQLQIEISA-N 380.113 5.413 50 1 GKGF O=C1c2ccc(O)cc2O[C@@](CCl)(C2CCCCC2)[C@H]1c1ccc(F)cc1 587328589 VCGLNLFYABHXIU-UNMCSNQZSA-N 388.866 5.448 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccc(Cl)cc1)CC2=O 587458345 AKHPDSAPTCHFII-FQEVSTJZSA-N 379.283 5.488 50 1 GKGF ClC[C@@]1(c2ccc(Cl)cc2)c2ccsc2CCN1Cc1cccnc1 963010370 NGULFSRUPNJZCE-HXUWFJFHSA-N 389.351 5.337 50 1 GKGF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)CC 2356382826 PAXJPQSBALSCDZ-XHRGMSINSA-N 380.569 6.164 50 1 GKGF CCOC(=O)[C@@H](Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587358538 RSVXIWNCUPWGOP-IBGZPJMESA-N 395.842 5.500 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(Cc1c(F)cccc1Cl)CC2=O 587466105 LOWDUFFQFBQOIL-FQEVSTJZSA-N 397.273 5.323 50 1 GKGF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1F 587150924 GDDHYQZNBBMLRC-WDEREUQCSA-N 396.331 6.770 50 1 GKGF Nc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2ccccc2c1 587252267 UWNMLISFHWEROY-UHFFFAOYSA-N 385.361 6.623 50 1 GKGF O=C(Cl)/C=C/c1ccc(/C=C\C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279290 FSESAZZIJMDVND-VTBWALSUSA-N 381.771 5.016 50 1 GKGF CCC(CC)[C@]1(CCl)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957497 ORCOVBIPUJRHQC-IBGZPJMESA-N 389.889 5.227 50 1 GKGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)CC(OCC)OCC 2356525411 ZLJOGSNKODRXJP-PQNGQFLHSA-N 376.581 6.090 50 1 GKGF O=c1c([C@@H]2N=C(c3ccccc3)SS2)coc2cc(Cl)c(Cl)cc12 45287402 YJBWOBXXTZDICA-QGZVFWFLSA-N 394.304 5.940 50 1 GKGF C[C@H](C(=O)O)[C@H]1CC[C@](C)(CCC=C2CCC3=C(CCCC3(C)C)C2)OO1 2356539917 FYBDKPKXLFVFLO-YBVWCTEOSA-N 376.537 5.974 50 1 GKGF N#Cc1ccc(Nc2nccc([C@@H](Cl)c3cccc(Br)c3)n2)cc1 169348988 RXDCXDIYOXFKCR-KRWDZBQOSA-N 399.679 5.183 50 1 GKGF Cc1ccc([C@]2(CCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546041 UUXVIEFQVLDOJS-OFNKIYASSA-N 394.854 5.187 50 1 GKGF CC(=C\Cc1ccccc1)/C=C(\C)C[C@@H](C)C[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 653821022 KOPJTRKWLYJVCH-BJAGXJIOSA-N 386.532 5.882 50 1 GKGF N#CC(C#N)=Cc1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)cc1 1857752145 DNILGHFTBCGQNC-UHFFFAOYSA-N 392.466 5.467 50 1 GKGF CCCCCCCCCCNC(=O)c1cc2cc(CCl)ccc2oc1=O 43284841 UQKJKGMSWHOQHW-UHFFFAOYSA-N 377.912 5.402 50 1 GKGF O=C1C[C@](CCl)(c2csc3ccccc23)Oc2c1ccc1c2CCCC1 587534732 FCABTYBATPZSSS-QFIPXVFZSA-N 382.912 5.880 50 1 GKGF C[C@@](Cl)(/C=C/[C@H](Cl)[C@](C)(Cl)/C=C/Br)CBr 85952116 XSMHHESOHBEVBV-MPMRZOORSA-N 399.381 5.449 50 1 GKGF CCCC[C@H](CC)COC(=O)/C(C#N)=C(/c1ccccc1)c1ccc(OC)cc1 113632074 WAJCJDLRJVDSSD-OAFDPHIXSA-N 391.511 5.780 50 1 GKGF world CCCc1c(O)ccc2c1O[C@@](CCl)(Cc1ccccc1Cl)CC2=O 587459676 OZIKIGJMEIEQGT-FQEVSTJZSA-N 379.283 5.184 50 1 GKGF COC(C)(C)[C@H](Br)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586970460 BIPMKMAEFSPWSK-SNVBAGLBSA-N 383.233 5.036 50 1 GKGF C/C(C=O)=C\C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O 936069923 MFDUGTOOXGORRX-AEYIUXCASA-N 382.544 5.150 50 1 GKGF in-vitro O=C(N/N=C1\CC2(CCCCC2)Oc2c1ccc1ccccc21)Nc1ccccc1 1857766751 SFLLLEQUPUVVCS-HPNDGRJYSA-N 399.494 5.851 50 1 GKGF CCCCC[C@H](C=CC=CC=C[C@H](CC=CCC=CCCC(=O)O)OO)OO 2356725530 OBXRYBLVMCAPKM-RTWAWAEBSA-N 394.508 5.709 50 1 GKGF CC1=CC[C@H](Br)C(C)(C)[C@@]12Cc1cc(Br)ccc1O2 13450931 LLGZHJXCAMBJRJ-GOEBONIOSA-N 386.127 5.263 50 1 GKGF biogenic [C-]#[N+][C@]12C=CC(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](CC[C@]2(C)C=C)C5(C)C 96903861 GCEYOMBDTZKZAO-PKNULQPYSA-N 386.539 5.754 50 1 GKGF Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587541889 DSWCNDOSTKPFDZ-NZQKXSOJSA-N 394.854 5.105 50 1 GKGF COc1ccc(C[S@](=O)CC=CSSCc2ccc(F)cc2)cc1 1857623321 DLONVWQFLJKGHU-XMMPIXPASA-N 382.547 5.178 50 1 GKGF COc1ccc(C[S@](=O)C/C=C/SSCc2ccc(F)cc2)cc1 73199601 DLONVWQFLJKGHU-UXFYKORBSA-N 382.547 5.178 50 1 GKGF Cc1ccc(C)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587689725 VGTDMIGNSOZZSG-YJYMSZOUSA-N 396.731 5.222 50 1 GKGF CCC[C@H](Br)/C=C/C(=O)N(Cc1ccc(Cl)cc1)CC(C)C 103279199 HYAOJIDNYBCYKE-KXKDPZRNSA-N 386.761 5.444 50 1 GKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3CBr)c1 587361454 UNUXHDVAJCPJDY-CYBMUJFWSA-N 394.268 5.691 50 1 GKGF O=C1C[C@](CCCl)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587497776 KXFHJWPWILCSBS-OAQYLSRUSA-N 375.295 5.708 50 1 GKGF O=C1C[C@@](CCl)(c2csc3ccccc23)Oc2c1ccc1c2CCCC1 587534724 FCABTYBATPZSSS-JOCHJYFZSA-N 382.912 5.880 50 1 GKGF Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCl)c(F)c1 587622810 UKCYZZWBOGHHRY-UHFFFAOYSA-N 396.622 5.491 50 1 GKGF Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325277 DEZPZMXSPQPBBN-GGAORHGYSA-N 396.845 5.333 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586973850 PAYADNIBDDALDP-VIFPVBQESA-N 394.656 5.171 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Br)c1ccccc1)CC2=O 587455958 HZJMNLOPSBFUOD-VQTJNVASSA-N 389.289 5.205 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CBr)(C1CCCCC1)CC2=O 587456099 KPONCOXBTDVRJT-LJQANCHMSA-N 381.310 5.024 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c3cccc(C)c13)CC2=O 587461857 UOZFQVURHFWPGJ-QFIPXVFZSA-N 383.875 5.234 50 1 GKGF O=C(OCc1cc(Cl)ccc1Cl)c1cc2cc(CCl)ccc2oc1=O 28703743 LBOSRBSJLMLWJK-UHFFFAOYSA-N 397.641 5.196 50 1 GKGF Cc1cc(F)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587509291 YICGQNMFEPHZOQ-NRFANRHFSA-N 376.830 5.252 50 1 GKGF CC(=CC=CCc1ccccc1)C[C@H](C)C[C@]1(C)C[C@](C)(C=CC(=O)O)OO1 2356785378 ACZSZSJPPROEKB-NKKJXINNSA-N 384.516 5.658 50 1 GKGF O=C1c2ccc(O)cc2O[C@@](CCl)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 587328585 VCGLNLFYABHXIU-IRLDBZIGSA-N 388.866 5.448 50 1 GKGF CCCCCCc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372394 KYFQICCGGOSGHS-MZNJEOGPSA-N 399.962 6.188 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(CCl)cs2)N1 587846882 JFNOPHWHIMUYET-JDNHERCYSA-N 388.733 5.186 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(N=C=S)cc1Br 587918597 AONFZXZVBRTLIG-UHFFFAOYSA-N 378.678 5.245 50 1 GKGF O=C(N/N=C/c1ccc(Cl)cc1)Nc1nc2c(ccc3ccccc32)s1 40913665 LWVFYIPZGYVVMV-SRZZPIQSSA-N 380.860 5.259 50 1 GKGF C=C(c1cccc2ccccc12)[C@H]1CCOC2(OO1)C1CC3CC(C1)CC2C3 43620447 BUQFPFKPCXMZKL-HGIGNFDVSA-N 376.496 5.743 50 1 GKGF CC/C=C/C=C/C=C/CCCCCCCC[C@@]1(C)C[C@](C)(CC(=O)O)OO1 44361710 MIXTVNJOFJIRKQ-HYGKQVTOSA-N 378.553 6.530 50 1 GKGF COc1ccc2c(c1)SC1=NC(c3ccc4ccccc4c3)=C/C(=C\C#N)N12 101595416 CPSOIMPBKDWRHG-VCHYOVAHSA-N 381.460 5.579 50 1 GKGF CC(C)=C[C@@H]1C[C@H](C)C2=C3CC=C(C=O)[C@H]4CC[C@@](C)(O)[C@H]4C[C@@]3(C)C=C2O1 238739083 NQDBNLQDCPWIPD-KOCSINPSSA-N 382.544 5.274 50 1 GKGF Oc1ccc(C2(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CC2)cc1 586898720 LYODCWLVJQITMT-UHFFFAOYSA-N 376.350 6.006 50 1 GKGF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC#C[C@@H](C)Br)cc1OC2(C)C 13557658 HFQLAXKYDSXFCZ-DJIMGWMZSA-N 389.333 5.332 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccc(F)cc1F)CC2=O 587465206 BWGVASWKNKSQRV-FQEVSTJZSA-N 380.818 5.113 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1ccc(Cl)cc1)CC2=O 587492193 NNSYGTCVAZTLRS-FQEVSTJZSA-N 387.888 5.073 50 1 GKGF Cc1cc2c(cc1F)[C@@](CCCCCCl)(c1ccccc1Cl)NCC2 962374638 LVGFZXQVSFHALY-OAQYLSRUSA-N 380.334 5.976 50 1 GKGF CC[C@H](Br)[C@@H]1CC=CC[C@@H]2C[C@@H](C=C=CBr)C[C@@H]2O1 2356791139 GLBSRSSXAMOFRL-FLAVGPMUSA-N 390.159 5.354 50 1 GKGF O=c1ccc2ccc(OCCCCCCCCCCBr)cc2o1 223193223 FGLJYLXWFSJNJX-UHFFFAOYSA-N 381.310 5.688 50 1 GKGF C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495831 AHOXAKKGFUASSF-IVCQMTBJSA-N 396.958 6.351 50 1 GKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@]1(C)CC[C@@H](O)C(=C)C 2356618568 ZKJKEZGUTNHGBT-SWBPCFCJSA-N 385.386 5.157 50 1 GKGF CCCCCCCCCCCCC[C@H](I)CC(=O)OC 85941622 HAIXEBKADVSBOC-INIZCTEOSA-N 396.353 6.054 50 1 GKGF biogenic CC[C@](C)(O)CC[C@]1(O)[C@@H](C)CC[C@H]2C(C)(C)[C@H](Br)CC[C@]21C 140215392 IUFJDEGQYYUUQK-XLQBFBSWSA-N 389.418 5.295 50 1 GKGF N[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(F)cc1F 587149526 HBRSATFQGNURBS-ZDUSSCGKSA-N 385.308 5.547 50 1 GKGF CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C=C/C=C(C)/C=C/C=O)C(C)(C)CCC1 13371210 PJEHRCCPERVGEC-AMANCMKTSA-N 376.584 7.776 50 1 GKGF endogenous,in-man COc1cc2c3c(c1)O[C@@](CCl)(c1c(C)c(C)c(C)c(C)c1C)[C@@H](C2)C3=O 587416990 HQBXUOABBSCPDD-FDDCHVKYSA-N 384.903 5.119 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(Cl)c(Cl)c1)CC2=O 587462120 WMPNQROESZLURR-IBGZPJMESA-N 399.701 5.751 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@@H](C)Br)CC2=O 587492939 DGBDNCMLGRQHLF-ADLMAVQZSA-N 395.318 5.050 50 1 GKGF CCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587543829 LTKRTSUGDTVSEE-REWPJTCUSA-N 394.854 5.051 50 1 GKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@@]3(C)O)C(C)=CC[C@@H]12 2356411800 ZJBUGILYFJGAAU-GGHBYBEPSA-N 386.576 5.277 50 1 GKGF COc1cccc(-c2c(CC(C)C)c(CCl)nc3c2oc2ccccc23)c1 587358974 VWXHHLCGZLHUED-UHFFFAOYSA-N 379.887 6.594 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CBr)c1c(F)cccc1F 963234019 DXLUAJYLRWKDTP-JLTOFOAXSA-N 394.303 5.260 50 1 GKGF CCCC=CC=CC=CCCCCCCC[C@]1(C)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356851917 QLDADEYHEQOCKZ-QPTUXGOLSA-N 390.564 6.371 50 1 GKGF OCC12CCC(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)(CC1)CC2 586895270 CTXGTPDKZXIYRK-UHFFFAOYSA-N 382.398 5.805 50 1 GKGF C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500125 YMNPIFPHNKLXHN-PSLXWICFSA-N 397.902 5.012 50 1 GKGF CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2cccc(Cl)c2n1)c1ccccc1 1857766381 NRDUIGWJAOKTKS-TVADFSRQSA-N 389.886 5.453 50 1 GKGF CC(=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@H]3CC(=O)C(C)=C[C@@H]3O2)O1)CC=CC(C)C 2356405786 DXVXAEIEQRNUAO-SDZTWWDVSA-N 396.527 5.026 50 1 GKGF COc1ccc(C[S@@](=O)C/C=C\SSCc2ccc(F)cc2)cc1 84541551 DLONVWQFLJKGHU-IXALOOGHSA-N 382.547 5.178 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587085004 WGZXUEYQFCLJBG-UHFFFAOYSA-N 395.784 6.349 50 1 GKGF C=CCn1c(C)cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587498318 MTMNKWZECOUJQL-QHCPKHFHSA-N 383.919 5.269 50 1 GKGF CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587498338 NDOGATJSTAQLBY-IQMFZBJNSA-N 399.918 5.201 50 1 GKGF O=C1C[C@@H](c2cc(F)cc(CBr)c2)Oc2c1ccc1c2CCCC1 587504913 ONBOJSDWVHOVCA-IBGZPJMESA-N 389.264 5.306 50 1 GKGF Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587688236 JVNWSMBQSDRUTO-DJJJIMSYSA-N 396.731 5.222 50 1 GKGF COc1ccc2c3ccnc(C)c3n(CCCCCCBr)c2c1 1857605284 ILXVZHJQWQGNRB-UHFFFAOYSA-N 375.310 5.462 50 1 GKGF COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1F 1857621560 UYUHZMZNMSRUPI-UHFFFAOYSA-N 399.425 5.354 50 1 GKGF C[C@]1(C=CCl)C[C@](Cl)(CBr)[C@@H](Br)C[C@@H]1Cl 2356737945 MMMYYEWTEBVZHZ-XKNYDFJKSA-N 399.381 5.282 50 1 GKGF CC[C@@H](c1ccc(O)cc1)[C@@H](CCOCCOCCCl)c1ccc(O)cc1 29398160 LDIXMJIPFXONFJ-VXKWHMMOSA-N 392.923 5.037 50 1 GKGF Oc1ccc2scc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2c1 587033085 RFXDUTILMRMNFH-UHFFFAOYSA-N 392.374 6.808 50 1 GKGF CC(C)(C)[C@@]1(C(Cl)Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324563 RKAIQSVFMHHZEM-OXJNMPFZSA-N 397.273 5.479 50 1 GKGF CC(=C[C@H](C)[C@H](Br)C(C)=CC(Cl)Cl)CBr 2356686474 HIBXDBUCJDKGCJ-KWQFWETISA-N 378.963 5.477 50 1 GKGF CCCNc1nc(SCCC)nc2c1cnn2C[C@@H](Cl)c1ccccc1 40380020 YHVIFIIUWUKMLK-MRXNPFEDSA-N 389.956 5.130 50 1 GKGF C[C@]1(CC(=O)NCc2ccc(-c3cccs3)cc2)CC2(CCCCC2)OO1 49722863 LVICNRRBELKLJG-NRFANRHFSA-N 385.529 5.235 50 1 GKGF CCCCCCCCCCCCCCC[C@@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 200134952 DMBDTNGFFBGPRP-PMVMPFDFSA-N 382.585 6.653 50 1 GKGF CC(C)CC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327733 RDRWZRRBMQMOJN-FPOVZHCZSA-N 376.855 5.304 50 1 GKGF O=C1C[C@@H](c2ccc(CBr)cc2F)Oc2c1ccc1c2CCCC1 587502539 FFFZQVNVBKRNRE-IBGZPJMESA-N 389.264 5.306 50 1 GKGF Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(-c4ccccc4)cc3)[nH]n2)cc1C 263590511 NXEPXVKULCILRK-UHFFFAOYSA-N 394.478 5.124 50 3 GKGF CC/C=C/[C@H](CC)C[C@H](CC)C[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 205149999 QAMYVKULCKIRQZ-QYBKAEAMSA-N 382.585 6.244 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCCCl)(c1ccc(Cl)s1)CC2=O 587495786 UDYPJPMDJTWQPI-LJQANCHMSA-N 399.339 5.939 50 1 GKGF CC(C)CC=CC[C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@H]3CC[C@H](O)C[C@@]34CC[C@@]12OO4 2356708309 KWNQCEPDCGGDIX-PEYSCPBVSA-N 388.592 5.816 50 1 GKGF C[C@]1(C=CCl)C[C@](Br)(CCl)[C@@H](Br)C[C@H]1Cl 2356792596 JXBAEGFNZRIVTR-JXUBOQSCSA-N 399.381 5.282 50 1 GKGF CN(C)c1ccc2c(-c3ccc(CCl)cc3)c3ccc(=[N+](C)C)cc-3oc2c1 4099184 XUDZMIGAJMGETI-UHFFFAOYSA-N 391.922 5.041 50 1 GKGF Oc1ccccc1C1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 586897271 XYDOEBGLDISQHX-UHFFFAOYSA-N 376.350 6.006 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(N=C=S)cc1)O2 587411117 RHJAQQYAPXMMNF-HSZRJFAPSA-N 386.476 5.221 50 1 GKGF CN(/N=C/c1cccc2cnccc12)C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 95573902 NDYHSLXSFZFYCJ-CITJKMDOSA-N 385.511 5.128 50 1 GKGF Cc1ccc(/C=C(/C#N)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 587189090 ZSLYOUOUOBQMFP-NVNXTCNLSA-N 396.288 5.485 50 1 GKGF C[C@@]1([C@@H](Br)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500591 SRHSBHMKZDVURF-SFTDATJTSA-N 385.301 5.426 50 1 GKGF C=C[C@]1(C)CC[C@@H](Br)[C@](C)(CC[C@@H]2[C@@H](C)[C@]3(C)CC[C@@]2(C)O3)O1 34472103 PMGOGHANPDRQSH-PDKYLHCFSA-N 385.386 5.638 50 1 GKGF CCCCC(CCCC)N(NC(=O)c1cccc(OC)c1)C(=O)c1ccccc1 43059910 NWYPYYCNKKIFEL-UHFFFAOYSA-N 396.531 5.231 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(F)(F)(F)(F)F)cc1)O2 587388040 ZOBIXMUCKLBJBY-HNNXBMFYSA-N 379.350 5.941 50 1 GKGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587419695 XUSFTJZJOWYHEN-GBXCKJPGSA-N 390.866 5.244 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2cccs2)N1 587849162 RBYNNDXRUYOXBD-HWPZZCPQSA-N 388.733 5.056 50 1 GKGF COc1ccc(Cl)c2c1CCN[C@]2(CCl)c1ccc(-c2ccccc2)cc1 963259138 RNUKXSUSUJWZMB-HSZRJFAPSA-N 398.333 5.644 50 1 GKGF Cc1ccc(C2OOC(c3ccc(CNc4cccc(Cl)c4)cc3)OO2)cc1 72174903 WVMZZOZEYDRZDV-UHFFFAOYSA-N 397.858 5.868 50 1 GKGF CC(=O)Oc1ccc([C@H]2C(C#N)=C(C)N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 103867976 LDRPKVCCFAYGJB-CYFREDJKSA-N 398.462 5.337 50 1 GKGF O=C(Nc1ccccc1Cl)c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587060485 NQFJAPDYSCSJQL-UHFFFAOYSA-N 397.756 6.126 50 1 GKGF Cc1ccc(/C=C(/C#N)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 587187632 JRKUMXQBFDTVSI-SDQBBNPISA-N 377.753 5.488 50 1 GKGF CC(C)[C@@H](Br)CCC1=CCC(Br)(Br)C1 1856120 GYJJSILBKLZXCB-JTQLQIEISA-N 388.969 5.392 50 1 GKGF Cc1cc(Cl)ccc1C#Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587066585 FADNLBKRKOVNBH-UHFFFAOYSA-N 392.780 6.582 50 1 GKGF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3F)c(CCl)c2c1 587642405 NHQPMJLJTLHCMY-NSHDSACASA-N 394.715 6.989 50 1 GKGF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(OO)C[C@@H]21 169309772 LXRIDGGQEVFZOE-RTBURBONSA-N 388.548 6.678 50 1 GKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@H]1OC1(C)C 473128144 YSEOBWHSSYMSKX-YSDSKTICSA-N 385.386 5.397 50 1 GKGF CC(C)CCOc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1Br 587008938 SIKIAGBMHMBONZ-JTQLQIEISA-N 380.113 5.269 50 1 GKGF [C-]#[N+]C(C)(C)c1ccc(-c2ccc3c(c2)C(c2nc4ccccc4[nH]2)=NC3)cc1 96174717 QXCFGHZFRKKXCJ-UHFFFAOYSA-N 376.463 5.735 50 1 GKGF CC(C)(F)[C@H](Br)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587087149 MDEOUSRWQULFMG-OAHLLOKOSA-N 378.245 5.122 50 1 GKGF O=C1C[C@@H](c2cc(F)ccc2CBr)Oc2c1ccc1c2CCCC1 587507215 UYSPDOPPZMCUJW-IBGZPJMESA-N 389.264 5.306 50 1 GKGF C[C@H](CCC=CCCC=Cc1ccccc1)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 2356594192 LTMUKXRJUSZQFQ-AGILITTLSA-N 386.532 6.187 50 1 GKGF C/C(C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 13371198 CAXVJDRXJFKYQP-CBCJWLELSA-N 382.544 5.401 50 1 GKGF endogenous,in-man CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1F)([C@H](C)Cl)CC2=O 587466971 OKHLTPOXHXBLLJ-PRWKNARSSA-N 380.818 5.111 50 1 GKGF C[C@@H](Cl)C(=O)Nc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497535 IYDZRSBGNFMXCF-FATZIPQQSA-N 397.902 5.012 50 1 GKGF COc1ccc(CSSC=CC[S@@](=O)Cc2ccc(OC)cc2)cc1 1857623583 WVJMPUWJWCALBP-RUZDIDTESA-N 394.583 5.048 50 1 GKGF O=C1C[C@H](c2cc(F)cc(CBr)c2)Oc2c1ccc1c2CCCC1 587504915 ONBOJSDWVHOVCA-LJQANCHMSA-N 389.264 5.306 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](Cl)CCCCCCCCC[C@H]1Cl 587382314 OTVMMOBLNMWGTC-CEQLMSFQSA-N 398.374 6.021 50 1 GKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@@H](Br)[C@]1(C)CCC(=O)C(C)C 2356599096 NGKGLSFRRMQQBA-RSPOEFSDSA-N 385.386 5.445 50 1 GKGF CCC=C[C@H](CC)C[C@H](CC)C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356742662 QAMYVKULCKIRQZ-KHYDEXNFSA-N 382.585 6.244 50 1 GKGF CCOC(=O)[C@]1(C/C=C\CBr)CCCCCCCCCCC1=O 5924316 GGRMIZURVYJEGX-JZHDPFOFSA-N 387.358 5.361 50 1 GKGF CCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587543827 LTKRTSUGDTVSEE-NZQKXSOJSA-N 394.854 5.051 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(CCCl)cc2)N1 587681804 AYCDFXXHWVQQJQ-BLVKFPJESA-N 396.731 5.167 50 1 GKGF COc1ccc(S(F)(F)(F)(F)F)cc1[C@H]1NCCc2cccc(Cl)c21 963381116 PNKDMOYZNDSFJR-MRXNPFEDSA-N 399.812 6.241 50 1 GKGF CC(C)CC(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@@H]21)[C@H](C)[C@@]45C 2356359796 STLBXYOSWNQTAD-MSSUAYMGSA-N 398.587 5.927 50 1 GKGF O=C1[C@H](Cl)[C@H](c2cc3ccccc3nc2Cl)N1c1ccccc1Cl 103167909 SLLCYDORYMODFK-CVEARBPZSA-N 377.658 5.237 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@H](C)Br)CC2=O 587492943 DGBDNCMLGRQHLF-VOJFVSQTSA-N 395.318 5.050 50 1 GKGF O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1Nc1ccnc2cc(Cl)ccc12 1772601484 MFZBVSLFPYIZKU-IAGOWNOFSA-N 392.673 5.059 50 1 GKGF C[C@]1(CCCCCCCCCCc2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2OO1 85775886 LBCVLXZWFGNXOB-YFNKSVMNSA-N 388.548 5.925 50 1 GKGF biogenic C[C@]1(CCCCCC/C=C/C=C/c2ccccc2)C[C@]2(C)OC(=O)C[C@@H]2OO1 96086022 VIBYZHWNCSGZMC-AANDXKHTSA-N 384.516 5.781 50 1 GKGF in-vitro CC(C)CCC[C@@H](C)CCC[C@H](C)CCCC1=CC[C@@H]2C(=O)OC(=O)[C@@H]2C1 169330663 UJZSKNNWYHCFEO-XMGTWHOFSA-N 376.581 6.462 50 1 GKGF COC(=O)Cc1c(CCl)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587358810 UPYXOAQORSFAFE-UHFFFAOYSA-N 395.842 5.111 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCCCl)(c1ccc(OC)cc1)CC2=O 587462394 YXHGITUBPGQXPG-JOCHJYFZSA-N 388.891 5.233 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(CCOCc3ccccc3)[nH]c2c1 587565766 JXRVFSOTFOYFMA-UHFFFAOYSA-N 378.366 5.980 50 1 GKGF COc1ccc([C@@]2(C)NCCc3cccc(-c4ccccc4)c32)cc1CCl 962667267 NGFNVHUNWQPWHH-XMMPIXPASA-N 377.915 5.510 50 1 GKGF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCC[C@@H](O)C#N)cc1OC2(C)C 36294753 BKKMOWQXXQOKTO-GUDVDZBRSA-N 383.532 5.335 50 1 GKGF C[C@@H](CC/C=C/CC/C=C/c1ccccc1)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 44431525 LTMUKXRJUSZQFQ-BXQRVPHOSA-N 386.532 6.187 50 1 GKGF C[C@]1(CCCCCCCCCc2ccc(O)cc2)C[C@]2(C)OC(=O)C[C@H]2OO1 85775897 YMCWQAFBJQOYSX-PUHATCMVSA-N 390.520 5.240 50 1 GKGF biogenic COC(C)(C)[C@H](Br)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586971109 LWRLYGJVCNFJCD-MRXNPFEDSA-N 391.334 5.575 50 1 GKGF CC(C)=CCC[C@H](C)[C@]1(O)CC[C@]2(C)[C@H](Br)CC[C@](C)(O)[C@@H]2C1 2356800980 QJBOZPLEQLTYDL-XGXHKTLJSA-N 387.402 5.215 50 1 GKGF Cc1cnc(Nc2ccc(C#N)cc2)nc1[C@H](Cl)c1ccc(C(C)(C)C)cc1 169349007 JVOJQBFISJLCOR-HXUWFJFHSA-N 390.918 6.026 50 1 GKGF Cc1cc(S(F)(F)(F)(F)F)cc2c1O[C@@H](C(F)(F)F)C(C(=O)O)=C2 1772579508 XGLBAOPSVHPQDV-SNVBAGLBSA-N 384.244 5.444 50 1 GKGF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Br)cc3)c(CCCl)c12 587644308 UDMNONRYYJXAFI-UHFFFAOYSA-N 379.641 5.287 50 1 GKGF Cn1cccc1CN1CCc2sccc2C12[C@@H](Cl)CCCCC[C@@H]2Cl 962375043 RIWRLIDEIWGBJZ-OALUTQOASA-N 397.415 5.519 50 1 GKGF O=C(Cl)c1c2c(nc3c(Cl)cc(Cl)cc13)-c1ccc(Cl)cc1CC2 13584331 LYAGUGKCVRSJDI-UHFFFAOYSA-N 397.088 6.340 50 1 GKGF C=C1CCC[C@@H]2[C@@](C)(CC[C@@]3(C)CC[C@@H]([C@@H](C)C(=O)O)OO3)[C@H](C)CC[C@@]12C 85562483 SQNNYRWDFNZPBJ-VJDUZYELSA-N 392.580 6.155 50 1 GKGF Cc1ccc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587543386 KKADEXPMYOCARA-NZQKXSOJSA-N 394.854 5.105 50 1 GKGF CCc1c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c(C)c1C(C)=O 587498323 MYQNUUZJOAKFQO-HSZRJFAPSA-N 399.918 5.066 50 1 GKGF CC1(C)CCC[C@]2(C)[C@@H]1CC=C(CO[Si](C)(C)C(C)(C)C)[C@@]21COC(=O)O1 2356769643 KPAXDJKUQPPHMF-YHYVQYDKSA-N 394.628 6.077 50 1 GKGF C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C(F)(F)F 100420296 SPUOKJFWPHIIQH-UVTDQMKNSA-N 380.753 5.320 50 1 GKGF CC(=C\Cc1ccccc1)/C=C(\C)C[C@@H](C)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 238756543 UYFIHBHPIJKAMI-HDPBWRSXSA-N 398.543 5.723 50 1 GKGF Cc1ccc2c3c(cc(-c4ccc(O)c(CCCl)c4)nc13)-c1ccccc1C2=O 586993774 OHNUEHNAYVIIDD-UHFFFAOYSA-N 399.877 5.909 50 1 GKGF CC(C)c1ccc(OC[C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496382 CNOKJPIUWVBQOJ-XMMPIXPASA-N 398.930 5.711 50 1 GKGF Cc1ccc(C2OOC(c3ccc(CNc4c(C)cccc4C)cc3)OO2)cc1 72174760 BRJVSMNYWGYCFM-UHFFFAOYSA-N 391.467 5.831 50 1 GKGF N#CC1=C(N)OC(c2ccccc2)=C[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 95602444 VLVPKTXEZLFFRP-HXUWFJFHSA-N 389.458 5.684 50 1 GKGF ClCCCCn1cc(CN2CCCCC2)c2cc(Br)ccc21 1857590017 CQFIMMBLQGFWDQ-UHFFFAOYSA-N 383.761 5.409 50 1 GKGF C[C@H](Cl)[C@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587689830 WUPGETWLNBKBIW-NQCMUKECSA-N 396.731 5.188 50 1 GKGF C=C1C[C@H](OC(C)=O)[C@H](Br)C(C)(C)[C@]12CCC(C)=C(Cl)C2 13379317 GQCHYEJJCOTYBA-ZOBUZTSGSA-N 375.734 5.351 50 1 GKGF biogenic CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CCc3ccccc3)[C@H]2C1 100866528 UMMJVINEFNTAGZ-VCOUNFBDSA-N 384.527 5.018 50 1 GKGF Cc1oc2c(c1-c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)C(=O)CCC2 586902624 DOGCUQADUGBYML-UHFFFAOYSA-N 392.349 6.308 50 1 GKGF Cc1[nH]c(C(=O)[C@@H](C)Cl)c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499517 UQXYIUOMKQAKCM-ZLOXQWCVSA-N 399.918 5.201 50 1 GKGF COc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(OC)c1O 587786731 WCGHNPYWJVSROB-UHFFFAOYSA-N 396.337 5.610 50 1 GKGF C[C@@H]1CCC[C@@H](C)N1C(=S)SSC(=S)N1[C@H](C)CCC[C@H]1C 245318940 XRORLWPRKFETCJ-AAVRWANBSA-N 376.682 5.463 50 1 GKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C 2356634950 PJEHRCCPERVGEC-UHFFFAOYSA-N 376.584 7.776 50 1 GKGF BrCCOc1ccc(/C(=C/c2ccccc2)c2ccccc2)cc1 27862260 KKWXTFVAHYAEEX-OQKWZONESA-N 379.297 6.049 50 1 GKGF C[C@](Cl)(C=C[C@H](Br)[C@](C)(Cl)C=CCl)CBr 2356738071 VYKLGBHBSJDLRH-LPEHRKFASA-N 399.381 5.449 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(CCl)c2)N1 587683392 GSTAOMFYIYAGPB-VOJFVSQTSA-N 382.704 5.125 50 1 GKGF CC(C)=CCC[C@H](C)C1=CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@]3(C)O)C(C=O)=CC[C@@H]12 2356541859 YVGINRGIDPTPQF-STYPQGACSA-N 384.560 5.197 50 1 GKGF O=C(CSCc1ccc(Cl)cc1)N/N=C\c1c(Cl)cccc1Cl 13152491 YFTSRVCVNUNVEV-ZBKNUEDVSA-N 387.719 5.030 50 1 GKGF CC1=CC[C@@H]2[C@H](C1)c1c(O)cc(CC#C[C@H](C)Br)cc1OC2(C)C 253663343 HFQLAXKYDSXFCZ-BHYGNILZSA-N 389.333 5.332 50 1 GKGF O=c1ccc2cc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)ccc2o1 586919093 ZMPNGEKOWGWRAG-UHFFFAOYSA-N 388.317 5.994 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(F)c(Cl)c1)CC2=O 587467418 RPOJKMBRLUPZGR-IBGZPJMESA-N 383.246 5.237 50 1 GKGF CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3cc(F)ccc3F)cs2)c1C 587921606 KEAGABDJOJJKIF-SXGWCWSVSA-N 383.467 5.981 50 1 GKGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC=C(C=O)CC(OCC)OCC 2356525412 ZLJOGSNKODRXJP-YZUZCNPQSA-N 376.581 6.090 50 1 GKGF O=C1C[C@](CCCl)(c2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 587508255 UKEBQYGWEAMIIF-OAQYLSRUSA-N 376.830 5.333 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(CCl)cs2)N1 587844998 CVPSMGGRMCVCNH-JDNHERCYSA-N 388.733 5.186 50 1 GKGF CCCC=C[C@H]1COC(OOC2=C(CC)C[C@@H](C=CCCC)CO2)=C(CC)C1 2356590557 TVZDQILKMVXSCD-WOJBJXKFSA-N 390.564 6.963 50 1 GKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c(C)c1C 587496850 GKBLLZBUXCROFJ-XMMPIXPASA-N 382.931 5.899 50 1 GKGF CCCCCCCCCCCCNC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12 49881807 VKZQSIANWDVRGU-DYTRJAOYSA-N 393.575 6.420 50 1 GKGF CC1=CC[C@@H](Br)C(C)(C)[C@@]12CC[C@](C)(Cl)[C@@H](Br)C2 105467441 ZPXHDWNADVHCRP-PAPYEOQZSA-N 398.610 6.057 50 1 GKGF CC(C)CCC[C@H](C)CCC[C@H](C)CCCC1=CC[C@H]2C(=O)OC(=O)[C@H]2C1 253694564 UJZSKNNWYHCFEO-MPJJRAAHSA-N 376.581 6.462 50 1 GKGF O=C1c2ccccc2-c2c(CCCl)c(-c3ccccc3)nc3ccc(O)c1c23 586985893 LVBLVUYTRGYIPU-UHFFFAOYSA-N 385.850 5.600 50 1 GKGF NC(=O)Nc1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587241421 CFFOQBVGIVGVLH-UHFFFAOYSA-N 378.326 5.378 50 1 GKGF CC1(C)[C@@H]2CC[C@@]1(CCl)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543303 KELAKNNXKPAKCB-DVZBENKUSA-N 398.886 5.158 50 1 GKGF CC1=C(C#N)[C@H](c2cccnc2)C2=C(O)C[C@H](c3ccc(Cl)cc3)CC2=N1 19762617 HOAKAIQPXAXYJA-IERDGZPVSA-N 375.859 5.460 50 1 GKGF CC(C)c1ccc(OC[C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496380 CNOKJPIUWVBQOJ-DEOSSOPVSA-N 398.930 5.711 50 1 GKGF COc1cccc([C@H](C)Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587929404 AGJPBNTYFMXBTL-LLVKDONJSA-N 392.393 6.575 50 1 GKGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(C4CCCCC4)cc1)[C@@H](C2)C3=O 587417484 MXMTZBYOXKTBLX-GBXCKJPGSA-N 396.914 5.625 50 1 GKGF CCCCCC=CCC[C@@H](CCCCCCCC(=O)OC)O[Si](C)(C)C 2356610840 ZUPXSCMRFYXOOJ-NRFANRHFSA-N 384.677 7.027 50 1 GKGF O=C(Oc1cc(Cl)cc(Cl)c1)c1cc2cc(CCl)ccc2oc1=O 13676439 RKGQWLAUAVXHTL-UHFFFAOYSA-N 383.614 5.058 50 1 GKGF COc1cc2c3c(c1)O[C@@](CCl)(CC14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O 587417573 OACVDOPOYUQOKU-BDIQEKDVSA-N 386.919 5.027 50 1 GKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccccc1 587543472 KPLNHXBTKRYKCA-REWPJTCUSA-N 394.854 5.268 50 1 GKGF CCC=CCC=CC[C@H](C=CC=CC=C[C@H](CC=CCCC(=O)O)OO)OO 2356340317 LWOCSKALTQGXLZ-NHCUHLMSSA-N 392.492 5.485 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(N=C=O)cc1)CC2=O 587471120 ZPRZDGRDEZHIOS-RUZDIDTESA-N 399.446 5.221 50 1 GKGF C=C1CCCC(C)(C)[C@@H]1CC[C@H](C)CCC[C@@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 43543957 VCZNGUOXJKTDBG-KFGLOJPWSA-N 394.596 6.546 50 1 GKGF Fc1cccc2c1[C@@H](c1ccccc1S(F)(F)(F)(F)F)N1CCC[C@H]1C2 963101842 MESNUNXSMZNSJE-SCLBCKFNSA-N 393.396 6.593 50 1 GKGF C=CCCCC/C=C/C#C[C@H](CCCCCCC(=O)OC)O[Si](C)(C)C 238734118 WQIGSLWIITXDKA-RJRNSMGGSA-N 378.629 6.026 50 1 GKGF CCCCc1ccc([C@@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587459220 GZYKFRHIOMLNGT-QHCPKHFHSA-N 386.919 5.787 50 1 GKGF C[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501044 VYMGZDIBOFCLAI-SZNDQCEHSA-N 385.301 5.210 50 1 GKGF C[C@H](C=Cc1ccccc1)CC=C[C@H](C)C[C@]1(C)C[C@@H](C)[C@H](CC(=O)O)OO1 2356480191 SKVQYCUESXDYRX-MJRVOHGCSA-N 386.532 5.898 50 1 GKGF CC1=C(CCC(C=O)=CC=CC2=CC(=O)O[C@@H]2O)[C@]2(C)CCCC(C)(C)[C@@H]2CC1 2356630809 FMCDEBKDPYNHPK-RSEQLOHWSA-N 398.543 5.193 50 1 GKGF Cc1ccc(C2OOC(c3ccc(CNc4ccccc4F)cc3)OO2)cc1 72174911 SUHLTHIJOGVTHN-UHFFFAOYSA-N 381.403 5.354 50 1 GKGF CCCCC#Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 73170094 XKDXFLQQGCKPDS-DEOSSOPVSA-N 378.475 5.600 50 1 GKGF O=C1c2ccccc2-c2cc([C@@H](Cl)c3ccc(F)cc3)nc3ccc(O)c1c23 586988921 SLQLTUVVSZBNJM-QFIPXVFZSA-N 389.813 5.619 50 1 GKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CCCCl)c1ncco1 963198948 BJHQAJILINCKNQ-GGAORHGYSA-N 391.902 5.060 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1c(C)[nH]c3ccccc13)([C@@H](C)Cl)CC2=O 587459197 NDFLSXOXJQRELU-FATZIPQQSA-N 397.902 5.622 50 1 GKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587497616 JKLPHBPHMGVZNN-LFVRLGFBSA-N 397.902 5.012 50 1 GKGF C[C@H](C=CC=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 2356476236 FFAHKEMMBZQSGI-NDFNRZHNSA-N 398.631 6.488 50 1 GKGF CC1=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)C=O)C(=O)c2ccccc2C1=O 28704756 YMYOJDIMFKBJCI-OSWOODOJSA-N 390.523 6.370 50 1 GKGF C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)C=C[C@@]13CC[C@@H]1[C@@](C)(CCC[C@@]1(C)OO)[C@@H]3CC2 238767752 GXCUIVKBCLAWCS-KIVZMRSJSA-N 388.548 5.685 50 1 GKGF C=CCCCCCC[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](C)Cl 2356643640 ZTMHOLOLVATDHU-RODWMJHOSA-N 398.629 5.931 50 1 GKGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(N=C=S)cc1)[C@@H](C2)C3=O 587452224 NFIDNIOSCSPWBA-GBXCKJPGSA-N 399.471 5.121 50 1 GKGF COC(=O)CCCCCCCC=CCC=CCCCCCO[Si](C)(C)C 2356421653 PXCVUVNYVTZSNY-UHFFFAOYSA-N 382.661 6.805 50 1 GKGF Cc1ccc(C2OOC(c3ccc(CNc4ccccc4S)cc3)OO2)cc1 72170914 IVEXXDNWUIMCMY-UHFFFAOYSA-N 395.480 5.503 50 1 GKGF O=C(N/N=C/c1cccc2cnccc12)[C@@H]1C[C@H]1c1ccc(-c2ccccc2)cc1 95576482 ZDAVKLKMQSLIKR-CGVHKBLPSA-N 391.474 5.156 50 1 GKGF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586886162 DWMFUHOVSZAULC-MEDUHNTESA-N 392.393 6.366 50 1 GKGF O=C1C[C@](CCCCl)(c2ccc(Cl)s2)Oc2c1ccc1c2CCCC1 587531811 MJBYHFNJVBEWAQ-HXUWFJFHSA-N 395.351 6.160 50 1 GKGF Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587545691 SDCMXKWVGZVNHD-OFNKIYASSA-N 394.854 5.105 50 1 GKGF COc1cccc(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587931828 QAKAUQMLVWWZPA-UHFFFAOYSA-N 378.366 6.014 50 1 GKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587950415 AYHKOLFDBXPKCS-UHFFFAOYSA-N 390.377 6.819 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587966656 KEVQEFLDZUJILU-UHFFFAOYSA-N 390.421 7.060 50 1 GKGF CC(C)(C)N(NC(=O)c1c(Cl)cccc1Cl)C(=O)c1ccccc1Cl 653875524 IRGROVQQRQWZDD-UHFFFAOYSA-N 399.705 5.233 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CBr)c1c(F)cccc1F 963234022 DXLUAJYLRWKDTP-VLIAUNLRSA-N 394.303 5.260 50 1 GKGF CCO/C(C)=C(/C#N)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922609 RDOTXCWSTIRBDI-ICFOKQHNSA-N 381.476 5.648 50 1 GKGF COc1ccc2c(c1)[C@](CCl)(c1ccc(Cl)cc1Cl)N(C(C)C)CC2 962092952 OCLKEUFITAJRLH-FQEVSTJZSA-N 398.761 5.751 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C(C)=C1C(C)(C)C[C@@H](O)C[C@]1(C)O 2356304856 FSRNSMXGQLRDSO-RDGATRHJSA-N 384.560 5.385 50 1 GKGF Cc1[nH]c2ccccc2c1[C@]1([C@H](C)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587500280 ZUVHVLFODZOGTE-IZHWHUGBSA-N 393.914 5.843 50 1 GKGF COC(C)(C)[C@@H](Br)c1nc2c3ccccc3c3ccccc3c2[nH]1 586971661 VREPUOAFPUGRKN-SFHVURJKSA-N 383.289 5.730 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N=C=S)c2)N1 587845819 STSPWLWDOZUZQP-ADLMAVQZSA-N 391.309 5.120 50 1 GKGF Cc1ccc(Cc2nn3c(SC#N)c(-c4ccc(F)cc4)nc3s2)cc1 71294916 VWZCUOWYFIJHGA-UHFFFAOYSA-N 380.473 5.069 50 1 GKGF CC(C)=C[C@@H]1C[C@H](C)[C@]2(CC[C@@]3(C)C[C@@H]4C(C)=CC(=O)[C@@H]4C(C=O)=CC[C@H]32)O1 238733956 MDYSLOGZXCWLSL-WOIYTOSISA-N 382.544 5.213 50 1 GKGF COC(=O)c1ccc(Oc2ccc3nc(/C(C#N)=C\c4ccccc4)[nH]c3c2)cc1 587187427 GLICVJMJCSGVPM-AQTBWJFISA-N 395.418 5.206 50 1 GKGF N#C/C(=C/c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587188549 SOLNWKHKOUESND-FLIBITNWSA-N 392.178 5.408 50 1 GKGF CC=CC=CCCCCCCCCC[C@]1(OC)C=C[C@@H](CC(=O)OC)OO1 2356668948 HVYBFBDAGMLZEH-RBBKRZOGSA-N 380.525 5.422 50 1 GKGF Cc1ccc(C2OOC(c3ccc(CNc4ccc(F)cc4)cc3)OO2)cc1 72170272 QGPAWMUJIJKXKL-UHFFFAOYSA-N 381.403 5.354 50 1 GKGF C[C@]1([C@@H](Cl)c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573330 VXIYUUHCFOZTND-COPCDDAFSA-N 398.817 5.232 50 1 GKGF C=C1CC[C@H](Br)C(C)(C)[C@@]12CC[C@@](C)(Br)[C@H](Cl)C2 85951562 ZLKDKQRNGQWCDI-CTHBEMJXSA-N 398.610 6.057 50 1 GKGF N#C/C(=C\c1cccc(OCCCN2CCCCC2)c1)c1noc2ccccc12 40639782 MZXUAHHWOKUKBH-CAPFRKAQSA-N 387.483 5.147 50 1 GKGF C=CCn1c(C)cc([C@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)c1C 587459268 HIUFINSESKPMMR-JOCHJYFZSA-N 387.907 5.049 50 1 GKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Br)CC3)c1 587356830 AFVHKVASAOHWJS-MRXNPFEDSA-N 394.268 6.039 50 1 GKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CCBr)c2c1 587639297 QRXTWIGNAUSRBD-CYBMUJFWSA-N 390.752 6.939 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(CCCl)cc2)N1 587686488 VKACCHYJYAMIBI-HXPMCKFVSA-N 396.731 5.167 50 1 GKGF CCC=CC[C@@H](C=CC=CC=C[C@@H](CC=CCC=CCCC(=O)O)OO)OO 2356774549 ALQAYVWWNWCFEN-LEWJYISDSA-N 392.492 5.485 50 1 GKGF O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1Nc1ccnc2cc(Cl)ccc12 1772601486 MFZBVSLFPYIZKU-SJORKVTESA-N 392.673 5.059 50 1 GKGF O=C(O)c1ccc(/C=C/CSSC/C=C/c2ccc(C(=O)O)cc2)cc1 28390008 BFZDFGRPRRRNHO-ZPUQHVIOSA-N 386.494 5.191 50 1 GKGF CCCOc1cc2nc(/C(C#N)=C\c3ccccc3)[nH]c2cc1Br 587186980 AARTUFRDVLNJEF-ZROIWOOFSA-N 382.261 5.178 50 1 GKGF N#C/C(=C\c1cccc2cnccc12)c1c[nH]c2ccc(CN3CCCC3)cc12 1857764437 WCPQPBFGHPTXDF-FYJGNVAPSA-N 378.479 5.376 50 1 GKGF CC(C)=CCC[C@H](C)C1=CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@H]12 2356541860 YVGINRGIDPTPQF-WQSLOSDISA-N 384.560 5.197 50 1 GKGF CCCCCCCCCC=CC#CCCC[C@]1(OC)CC[C@@H](CC(=O)O)OO1 2356648381 YLKDYIIQSISYAD-JTHBVZDNSA-N 394.552 5.785 50 1 GKGF FC(F)(F)c1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587112311 HTQSTAPXSHTIPD-UHFFFAOYSA-N 388.283 6.906 50 1 GKGF CC1(C)CCC[C@]2(C)[C@H]1CC=C(CO[Si](C)(C)C(C)(C)C)[C@@]21COC(=O)O1 2356769642 KPAXDJKUQPPHMF-WTOYTKOKSA-N 394.628 6.077 50 1 GKGF N#CC1=C(n2cccc2)Oc2c(ccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 3929820 CXFRIAAQVHVQDJ-QFIPXVFZSA-N 393.402 5.466 50 1 GKGF CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@H](c3ccccc3)CC2=N1 104076275 VUMNYTGMUHRHJC-HXOBKFHXSA-N 384.435 5.141 50 1 GKGF C=CC[C@@H]1[C@H]2CC[C@@](O[Si](C(C)C)(C(C)C)C(C)C)([C@H](C(=O)OC)C2)[C@@H]1O 254081289 YIBLHUPWAMRDEZ-DNVBULBTSA-N 396.644 5.073 50 1 GKGF O=C1C[C@H](c2ccc(F)cc2CBr)Oc2c1ccc1c2CCCC1 587500849 DKVDWMGJQBGAME-LJQANCHMSA-N 389.264 5.306 50 1 GKGF COc1ccc(Cl)cc1C#CCc1cccc(S(F)(F)(F)(F)F)c1 587917829 SJWQKIAJNRSQRA-UHFFFAOYSA-N 382.781 6.600 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)c1c[nH]c2cc(OC)ccc12 963228059 KMHVOMXTBGYLEO-MWTRTKDXSA-N 382.935 5.316 50 1 GKGF CC(=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1)CC=CC(C)C 2356405783 DXVXAEIEQRNUAO-MFYODDQASA-N 396.527 5.026 50 1 GKGF CCSC1=C(C#N)[C@H](c2ccc(Cl)cc2)/C(=C(\O)OC(C)(C)C)C(C)=N1 103886271 ISGDLSRYMIDKOG-PJCCXHTNSA-N 390.936 5.971 50 1 GKGF O=P(CCCCCCN=C=S)(Oc1ccccc1)Oc1ccccc1 1772635079 OCUJBYGJQMBQHY-UHFFFAOYSA-N 375.430 6.001 50 1 GKGF CC1=NC(C)=C(C#N)[C@@H](c2ccc3[nH]nc(SCc4ccccc4)c3c2)[C@H]1C#N 169694578 XFEMCDUWLDLTMA-UGKGYDQZSA-N 397.507 5.351 50 1 GKGF N#C/C(=C\c1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587187970 MWMGWJRNOLWEOB-IZZDOVSWSA-N 392.178 5.408 50 1 GKGF COc1cccc(-c2cc([C@@H](C)Br)nc3c2oc2ccccc23)c1 587361244 SPCNJSGRUOPANL-GFCCVEGCSA-N 382.257 6.113 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(F)(F)(F)(F)F)cc1)O2 587388041 ZOBIXMUCKLBJBY-OAHLLOKOSA-N 379.350 5.941 50 1 GKGF CCCc1c(O)ccc2c1O[C@H](c1cccc(F)c1CBr)CC2=O 587467215 RLASCUBKWGMVCF-SFHVURJKSA-N 393.252 5.085 50 1 GKGF CCCCC[C@@H](C=CC=CCCCCCCCC(=O)OC)O[Si](C)(C)C 2356604677 CKJJXCPHFROKCV-NRFANRHFSA-N 382.661 6.803 50 1 GKGF C[C@]1(CCCCCCCCc2ccccc2)CC[C@](C)(CCC(=O)O)OO1 44431579 WRPATCGRZLPNBQ-GOTSBHOMSA-N 376.537 6.084 50 1 GKGF biogenic O=C1C[C@](CBr)([C@@H]2Cc3ccccc32)Oc2c1ccc1c2CCCC1 587499456 NFNCHIZYNWVYQO-KNQAVFIVSA-N 397.312 5.004 50 1 GKGF CCOc1cc(C#Cc2cc(Cl)ccc2OC)c(CCl)cc1OCC 587900305 KPCNARMQCLBSQJ-UHFFFAOYSA-N 379.283 5.285 50 1 GKGF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C=O)C[C@H]21 29561265 AARQDCQBCMFBPF-PMACEKPBSA-N 384.560 6.430 50 1 GKGF O=C(N/N=C/c1cccc2cnccc12)[C@@H]1C[C@@H]1c1ccc(-c2ccccc2)cc1 95576483 ZDAVKLKMQSLIKR-IBVHQDITSA-N 391.474 5.156 50 1 GKGF COc1cccc(-c2cc([C@@H](Cl)C(=O)N(C)C)nc3c2oc2ccccc23)c1 587358086 ONOJPTVQEVEHLM-LJQANCHMSA-N 394.858 5.025 50 1 GKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3CBr)c1 587361456 UNUXHDVAJCPJDY-ZDUSSCGKSA-N 394.268 5.691 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(C(Cl)Cl)CC2=O 587458535 KRUBTHSOTYHOJJ-IBGZPJMESA-N 399.701 5.663 50 1 GKGF COC(=O)C[C@]1(C)C[C@](C)(C[C@H](C)C=CC[C@H](C)C=Cc2ccccc2)OO1 2356312984 PEOWGKDHNJAAEI-QEFHDYNCSA-N 386.532 5.741 50 1 GKGF CCCCCCCCCCC[C@H](Cl)CCOc1ccc(C(=O)OC)cc1 169340417 OYWRLKBZEGIWAV-FQEVSTJZSA-N 382.972 6.770 50 1 GKGF CCCC=CC=CC=CCCCCCCC[C@]1(C)C[C@]2(C)OC(=O)C[C@H]2OO1 2356851916 QLDADEYHEQOCKZ-JRFVFWCSSA-N 390.564 6.371 50 1 GKGF CCCCc1ccc(C(=O)NN(C(=O)c2ccccc2OCC)C(C)(C)C)cc1 103194554 QXSMVCGTOSHISL-UHFFFAOYSA-N 396.531 5.014 50 1 GKGF COC(C)(C)[C@@H](Br)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586970614 HONXFUPYVWCUDB-JTQLQIEISA-N 385.611 5.096 50 1 GKGF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587195744 LTZZLDIZMKDJIX-NSHDSACASA-N 391.409 6.438 50 1 GKGF CC[C@@H](C)c1ccc2[nH]c(-c3c[nH]c4ccc(C#N)cc34)c(CCCl)c2c1 587639189 OWUUJUDXQHAAIP-CQSZACIVSA-N 375.903 6.483 50 1 GKGF Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587690027 YTPOGBJJSMOXDD-BFUOFWGJSA-N 396.731 5.222 50 1 GKGF Fc1ccc([C@@]2(CCCCCl)NCCc3cccc(-c4ccccc4)c32)cc1 962674449 XKJDQIHTMKADLP-RUZDIDTESA-N 393.933 6.291 50 1 GKGF C[C@H](C=CC=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356629015 OMTDEDXAIWMZOG-VTNJBAMVSA-N 396.615 6.386 50 1 GKGF CN(C(=S)SSC(=S)N(C)C1CCCCC1)C1CCCCC1 45298653 WLRHCTHRECTLNU-UHFFFAOYSA-N 376.682 5.467 50 1 GKGF O=C1[C@H](Cl)[C@H](c2ccccc2Cl)N1Nc1ccnc2cc(Cl)ccc12 1772644313 JOHKPXOETBUGSL-SJORKVTESA-N 392.673 5.059 50 1 GKGF CC(C)=CCC/C(C)=C/[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1 95589942 RDIQGQNNHFBYRT-YAMNEPGGSA-N 396.527 5.170 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(CCl)cs2)N1 587846881 JFNOPHWHIMUYET-FVMDXXJSSA-N 388.733 5.186 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N=C=S)cc2)N1 587847846 YUJNJGPLQAKVMV-VOJFVSQTSA-N 391.309 5.120 50 1 GKGF O=C(O)c1cccc2c1CCN[C@@H]2c1ccc(S(F)(F)(F)(F)F)cc1F 963125263 SNPCYVAOWDYZBC-HNNXBMFYSA-N 397.340 5.416 50 1 GKGF CC(C)CC(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@H]21)[C@@H](C)[C@@]45C 2356359798 STLBXYOSWNQTAD-XBOKFOQGSA-N 398.587 5.927 50 1 GKGF N#C/C(=C1\C=C(Br)C(=NO)C=C1Cl)c1cccc2ccccc12 254100350 BJDKZONPNOGIEO-KSAWIHRNSA-N 385.648 5.362 50 3 GKGF CC(C)/C=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28639703 FKMIAXDKXOTFJA-AFUMVMLFSA-N 375.516 5.074 50 1 GKGF N#Cc1ccc(OCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587191781 XMXJVGPXZWTRGX-UHFFFAOYSA-N 375.322 5.671 50 1 GKGF CC(C)(C)c1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500290 ZXYLGPIZHZDFGO-XMMPIXPASA-N 382.931 5.962 50 1 GKGF CCCCCn1c2ccc(C(=O)CCl)cc2c2cc(C(=O)CCl)ccc21 1772613173 OJHBGQUXXXKRQP-UHFFFAOYSA-N 390.310 5.828 50 1 GKGF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1ccc(/C=C/CCCCl)cc12 95568887 CYCYYTBHXHNYDQ-KCYAGCKNSA-N 395.930 6.290 50 1 GKGF C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2ccccc2Nc2cccc(C)c2C)C1 98084111 WSVNBOKKANRCBL-PZHAEXOUSA-N 387.527 6.065 50 1 GKGF COC(=O)[C@H](Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587358316 RJZFMQOCWNAIQH-GOSISDBHSA-N 381.815 5.110 50 1 GKGF C=C1CCC[C@@H]2[C@H](CC[C@]3(C)CC[C@H]([C@H](C)C(=O)O)OO3)[C@H](C)CC[C@@]12C 2356333734 VRMMLZKUQZCNHU-MRQSYRKDSA-N 378.553 5.765 50 1 GKGF O=C(Cl)CCCCCCCCCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279553 LECCGMONMKPFEN-UHFFFAOYSA-N 393.867 6.190 50 1 GKGF CCC=CCC=CCC=CCCCCCC[C@H](O[Si](C)(C)C)C(=O)OC 2356558703 JGKDIIGUVRHMES-NRFANRHFSA-N 380.645 6.579 50 1 GKGF CC1=NC(C)=C(C#N)[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)[C@@H]1C#N 136488277 JVPROQBJNYSUDC-UTKZUKDTSA-N 383.480 5.096 50 1 GKGF CCCCCC=CC=C[C@H](CCCCCCCC(=O)OC)O[Si](C)(C)C 2356406641 BOHZEIJAHJPBDP-OAQYLSRUSA-N 382.661 6.803 50 1 GKGF CC(C)=CCC[C@H](C)[C@]1(O)CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(C=O)=CC[C@H]21 2356646724 NELFJHALXVSFHU-RTHYLRPMSA-N 384.560 5.197 50 1 GKGF COc1cc2c3c(c1)O[C@@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587418113 RVUAGYXDMWOHRE-ZGJHTFNLSA-N 384.903 5.263 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc(OCCCCl)cc1O 963225761 FYRWYZGRAHVPTQ-SBUREZEXSA-N 387.951 5.320 50 1 GKGF C=C1CC[C@H](Br)[C@]2(C)CC[C@@H](C(C)=CC=CC(C)(C)OC)C[C@]12O 2356435264 ABUOJYVVQSTENN-ZFMNYDKASA-N 397.397 5.565 50 1 GKGF CCC=CC[C@H](C=CC=CCC=CC=C[C@H](CCCCCC(=O)O)OO)OO 2356616197 SRKAMEOZEBOPRP-NHCUHLMSSA-N 394.508 5.709 50 1 GKGF FC(F)(F)c1ccc(C2OOC(c3ccc(C(F)(F)F)cc3)OO2)cc1 43285511 JECAYPHUWJLBCO-UHFFFAOYSA-N 380.240 5.332 50 1 GKGF CCCCCCC/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 95808874 VHYSDBICUQHPHL-PTGBLXJZSA-N 389.540 5.134 50 1 GKGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(CSc1ccccc1)c1ccccc1 253639892 WURFGWKURSAVKR-MALNDZBISA-N 398.524 5.127 50 1 GKGF Cc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541648 COLQLNUITSDDTC-OFSQETHSSA-N 394.854 5.185 50 1 GKGF CCO/C(C)=C(\C#N)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922607 RDOTXCWSTIRBDI-BMRADRMJSA-N 381.476 5.648 50 1 GKGF C=C1CC[C@H](Br)[C@]2(C)CC[C@H](C(C)=CC=CC(C)(C)OC)C[C@@]12O 2356435261 ABUOJYVVQSTENN-JYAXBFRTSA-N 397.397 5.565 50 1 GKGF CC(C)c1ccc(NC(=O)c2ccc(N(CCCl)CCCl)cc2)cc1 49771175 QRMCZLGDRXISCZ-UHFFFAOYSA-N 379.331 5.346 50 1 GKGF CC1=CC[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)O[C@H]1CBr 59092077 BVMIPASLGLRPCO-ABHRYQDASA-N 380.164 5.075 50 1 GKGF biogenic COc1ccc(CSS/C=C/C[S@](=O)Cc2ccc(OC)cc2)cc1 73197637 WVJMPUWJWCALBP-CZLYHCBXSA-N 394.583 5.048 50 1 GKGF Fc1ccc2c(c1)C[C@@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)O2 587174334 ONLNKTKGMYXUFH-AWEZNQCLSA-N 380.313 6.036 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(Cl)c(Cl)c1)CC2=O 587462124 WMPNQROESZLURR-LJQANCHMSA-N 399.701 5.751 50 1 GKGF CCC=CC=CC=CCCCCCCCC[C@]1(C)C[C@@](C)(CC(=O)O)OO1 2356482373 MIXTVNJOFJIRKQ-DHIUTWEWSA-N 378.553 6.530 50 1 GKGF C[C@]1(CCCCCCCCCCc2ccccc2)C[C@](C)(CC(=O)O)OO1 44404708 LSOSWFXHGHKMMC-GOTSBHOMSA-N 376.537 6.084 50 1 GKGF biogenic O=C/C=C\c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1F 586988730 OULXKIAVCPXWNU-XQRVVYSFSA-N 395.389 5.170 50 1 GKGF C[C@H](Br)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587532626 RDCGPHOGMPODCT-HXPMCKFVSA-N 391.330 5.271 50 1 GKGF C[C@]1([C@@H](Cl)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545299 QOJNLRGKAABFSZ-NYVOZVTQSA-N 380.827 5.093 50 1 GKGF CN(C)C(=O)c1ccc2c(c1)[C@]1(CCCCCCCCCC[C@@H]1Cl)NCC2 962923644 IVSICLDSFRXMSD-GMAHTHKFSA-N 390.999 5.251 50 1 GKGF C=C[C@]1(C)C2=C3c4c([nH]c5cccc(c45)C(C)(C)[C@@H]3C[C@@H]1Cl)C(C)(C)C(C)=C2 2356787987 WAHCZMDVXMNQTN-ROGNIZAZSA-N 391.986 7.270 50 1 GKGF Cc1ccc2c3c(c4c(nc13)CC[C@@H](CBr)C4)-c1ccccc1C2=O 586994398 ZFYAWNJKXUDBMR-CYBMUJFWSA-N 392.296 5.254 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OCC)cc1)([C@H](C)Cl)CC2=O 587458209 HSXXHGBHPUPHJW-FPTDNZKUSA-N 388.891 5.231 50 1 GKGF C=C1C(CC(C)C)=C(C#N)C(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 64490626 CMQSLSUMUQNGBO-UHFFFAOYSA-N 388.311 5.451 50 1 GKGF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587195743 LTZZLDIZMKDJIX-LLVKDONJSA-N 391.409 6.438 50 1 GKGF CO[C@@H]1[C@@H]2C[C@H](C(C)C)[C@@]3(CC[C@@]4(C)[C@H](Br)CC[C@](C)(O)[C@@H]4[C@@H]13)C2 238771288 FKYQRKFANNKCHE-YGJPYRPGSA-N 399.413 5.024 50 1 GKGF CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)CCl)CCC[C@]3(C)[C@H]2CC1 299822000 CVQBKJYQVURQSY-ZYSLNFODSA-N 394.983 5.265 50 1 GKGF C[C@]1(c2cccc(N=C=S)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613272 NQANXTUBZXOGQM-SIKLNZKXSA-N 389.432 5.004 50 1 GKGF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1F 587150922 GDDHYQZNBBMLRC-MNOVXSKESA-N 396.331 6.770 50 1 GKGF CN(C)C(=O)c1ccc2c(c1)[C@]1(CCCCCCCCCC[C@H]1Cl)NCC2 962923641 IVSICLDSFRXMSD-GGAORHGYSA-N 390.999 5.251 50 1 GKGF CCC=CC=CC=CCCCCCCCC[C@]1(C)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356550043 AXDQPRBNYTZNDV-QPTUXGOLSA-N 390.564 6.371 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCl)(c1ccc(C(C)(C)C)cc1)O2 587377726 XWOYVSOYUFBSRN-HSZRJFAPSA-N 385.935 5.754 50 1 GKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@@]3(C)O)C(C)=CC[C@H]12 2356411801 ZJBUGILYFJGAAU-JNNKLBEBSA-N 386.576 5.277 50 1 GKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@@H](O)C1 13371360 HQPQTQQUHPFUOA-BDVUPSHZSA-N 392.583 6.746 50 1 GKGF endogenous,in-man C/C=C(/C)C(=O)OC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@@H]4[C@@H]5C[C@@]3(CC[C@H]12)[C@H](C)[C@@]45C 525915188 HSAIBHCFNQHMCX-JJHKVGLPSA-N 396.571 5.847 50 1 GKGF biogenic CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCCCCl)(c2ccc(C)cc2)N1 962945008 INZABXNXZCBSME-DVECYGJZSA-N 380.963 6.053 50 1 GKGF CC(C)(F)[C@@H](Br)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587087147 MDEOUSRWQULFMG-HNNXBMFYSA-N 378.245 5.122 50 1 GKGF C[C@]1(c2cccc(CCl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542973 KIFCNXHRIYIDNU-DENIHFKCSA-N 380.827 5.008 50 1 GKGF Cc1cc(/C=C/C#N)cc(F)c1Nc1ccc(F)c(Nc2ccc(C#N)cc2)c1 213659812 JZNDPYSMXGPBCR-NSCUHMNNSA-N 386.405 6.169 50 1 GKGF CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(Br)ccc3[nH]2)cc1 299859235 FOFIEGZJYLWGDC-RVDMUPIBSA-N 395.304 5.236 50 1 GKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 2356610696 UYFIHBHPIJKAMI-INWJIATQSA-N 398.543 5.723 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586974760 ZDSVEGVDWWNMEJ-SNVBAGLBSA-N 399.210 5.508 50 1 GKGF Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587545690 SDCMXKWVGZVNHD-NZQKXSOJSA-N 394.854 5.105 50 1 GKGF CCC=CCC=CC[C@H](C=CC=CC=C[C@@H](CC=CCCC(=O)O)OO)OO 2356340318 LWOCSKALTQGXLZ-RTWAWAEBSA-N 392.492 5.485 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)c(F)cc1Cl)CC2=O 587468598 YOCYFWXLYPSOOT-HXUWFJFHSA-N 397.273 5.545 50 1 GKGF Fc1cc2c(CCBr)c(-c3ccc(Cl)cc3)[nH]c2cc1Cl 587627979 NMKDTBNIRARLDT-UHFFFAOYSA-N 387.079 6.218 50 1 GKGF C=C(c1ccccc1)[C@@H]1CCOC2(CCC(Nc3ccc(F)cc3)CC2)OO1 49881901 MXPFKKIVZHJNQI-KOENEWCDSA-N 383.463 5.327 50 1 GKGF COc1ccc([C@H]2CC3=NC(C)=C(C#N)[C@H](c4cccc(F)c4)C3=C(O)C2)cc1 104693236 KFUDEKWTFOAEBE-SBUREZEXSA-N 388.442 5.560 50 1 GKGF O=c1c2ccccc2oc2cccc(OCCCCCCBr)c12 49525728 KZMDDVPKRRQJCG-UHFFFAOYSA-N 375.262 5.280 50 1 GKGF C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2c(Cl)cccc2Cl)cc1Cl 100420284 HOIOTDLQQYPHST-LUAWRHEFSA-N 381.646 5.608 50 1 GKGF C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@]23OO4 169371164 AWWQKXVEUVMHGL-NGIGFHQTSA-N 392.923 5.279 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Cl)c1ccccc1)O2 587370768 BPYCNTINJXJUPH-PKTZIBPZSA-N 377.871 5.418 50 1 GKGF COc1cc(/C=C/CSSC/C=C/c2ccc(O)c(OC)c2)ccc1O 225403745 TWZJPOABNAENHF-GGWOSOGESA-N 390.526 5.223 50 1 GKGF Cc1c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905302 JZDHFDVVIHOTLR-GFCCVEGCSA-N 394.365 6.158 50 1 GKGF CCCc1c(O)ccc2c1O[C@]1(CCCCCCCCCC[C@H]1Cl)CC2=O 587463346 XLOUXNRCLIOSHX-FYYLOGMGSA-N 392.967 6.571 50 1 GKGF Cc1ccc(NC(=O)NC/C(C#N)=C\c2ccc(Cl)c(Cl)c2)cc1Cl 40566084 GHJULMQDXJAMFZ-MLPAPPSSSA-N 394.689 5.684 50 1 GKGF Cc1cc([C@H](Cl)c2ccc(C(C)(C)C)cc2)nc(Nc2ccc(C#N)cc2)n1 169349001 IFNURCWMZCEBPF-OAQYLSRUSA-N 390.918 6.026 50 1 GKGF O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)c2coc3ccc(Cl)cc23)c1 587275606 CHEGEQMEVWKZPC-UHFFFAOYSA-N 381.598 5.075 50 1 GKGF C[C@@]1(CC(=O)NCc2ccc(-c3cccs3)cc2)CC2(CCCCC2)OO1 49722864 LVICNRRBELKLJG-OAQYLSRUSA-N 385.529 5.235 50 1 GKGF O=S(=O)(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C1CCCC1 586924800 VOAPUSQOTNBXHA-UHFFFAOYSA-N 390.399 5.078 50 1 GKGF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Br)c1ccccc1)CC2=O 587455952 HZJMNLOPSBFUOD-PMACEKPBSA-N 389.289 5.205 50 1 GKGF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCCl 13675375 QPBVZTQMIRREQE-DOFZRALJSA-N 380.016 6.877 50 1 GKGF O=C1c2ccccc2-c2c(CCCl)c(-c3ccc(O)cc3)nc3cccc1c23 587104952 ZKMVJXHKUUNXGR-UHFFFAOYSA-N 385.850 5.600 50 1 GKGF O=C1C[C@](CBr)(CCc2ccccc2)Oc2c1ccc1c2CCCC1 587500612 SYKHNBMOBZVOJN-QFIPXVFZSA-N 399.328 5.297 50 1 GKGF C[C@@]1(c2cc(CCl)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615202 WZXFLWRGAGATLU-XLIONFOSSA-N 386.856 5.070 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H](Cl)CCCCCCCCC[C@H]1Cl 587382317 OTVMMOBLNMWGTC-RTBURBONSA-N 398.374 6.021 50 1 GKGF CC(C)(C)OC(=O)C[C@@H](O)[C@@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C 2356706063 QJLFGMZXUIFXIZ-RTBURBONSA-N 394.628 5.102 50 1 GKGF C[C@]1(c2cc(CCl)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615200 WZXFLWRGAGATLU-FXAWDEMLSA-N 386.856 5.070 50 1 GKGF CC=C(C)C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@H]21)[C@H](C)[C@@]45C 2356433358 HSAIBHCFNQHMCX-VKMABADKSA-N 396.571 5.847 50 1 GKGF CC(C)=CCC[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)/C(C=O)=C/C[C@@H]12 38496342 PLWMYIADTRHIMY-AFDZCEFNSA-N 386.576 5.277 50 1 GKGF CCc1nc2c(C)ccc3c2c(c1CCBr)-c1ccccc1C3=O 586993339 KNNCWWFTOQTGPT-UHFFFAOYSA-N 380.285 5.254 50 1 GKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](Br)c2ccccc21 587460664 VKTYKJTWIKOGTM-JXFKEZNVSA-N 387.273 5.045 50 1 GKGF COc1ccc2c([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c2c1 587497797 KYYZDKTZIDAKNO-HSZRJFAPSA-N 395.886 5.155 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc(OCCCCl)cc1O 963225765 FYRWYZGRAHVPTQ-UZUQRXQVSA-N 387.951 5.320 50 1 GKGF Cc1nc(C(C#N)=Cc2ccccc2Cl)sc1N=Nc1ccc(Cl)cc1 2356835662 KTVJNNFXXASLNO-UHFFFAOYSA-N 399.306 7.238 50 1 GKGF CC(C)CCN(CCC(C)C)C/C(O)=C(\C#N)c1nc(-c2ccccc2)cs1 101715049 VXVIBWNBWBPBKK-XDOYNYLZSA-N 397.588 5.997 50 1 GKGF CC(C)CCC[C@H](C)CCC[C@H](C)CCCC1=CC[C@@H]2C(=O)OC(=O)[C@@H]2C1 169330664 UJZSKNNWYHCFEO-BLKABHOGSA-N 376.581 6.462 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@@H](Cl)N=O)CC2=O 587460639 VFTYPXMWJZFSJS-RBUKOAKNSA-N 394.254 5.190 50 1 GKGF C[C@]1([C@H](Cl)c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573333 VXIYUUHCFOZTND-QIJUGHKUSA-N 398.817 5.232 50 1 GKGF CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(CSc1ccccc1)c1ccccc1 101046886 WURFGWKURSAVKR-PNJWGLBASA-N 398.524 5.127 50 1 GKGF Cc1[nH]c2ccccc2c1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497550 JATFSCJXYQVJNW-HSZRJFAPSA-N 379.887 5.455 50 1 GKGF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587950713 CGCUYHBMYLIPET-HSMVNMDESA-N 398.441 7.267 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CBr)c1ccc2occc2c1 963260135 WEBHOWOYXAETJA-KSFYIVLOSA-N 398.344 5.728 50 1 GKGF CC(=CCO)CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]21C 2356475927 VUFPGDSZNJURQC-JEIKXUOUSA-N 387.402 5.072 50 1 GKGF CCC=CC[C@H](C=CC=CCC=CC=C[C@@H](CCCCCC(=O)O)OO)OO 2356616198 SRKAMEOZEBOPRP-RTWAWAEBSA-N 394.508 5.709 50 1 GKGF O[C@H]1C[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2ccccc21 586902763 MJVSLUKRJJYCFS-DOMZBBRYSA-N 376.350 5.789 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(C3CC3)c1C)CC2=O 587459206 GVCBJCCLRIZQSZ-QFIPXVFZSA-N 387.907 5.197 50 1 GKGF C[C@@H](Cl)C(=O)Nc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497539 IYDZRSBGNFMXCF-QKFKETGDSA-N 397.902 5.012 50 1 GKGF Cc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587686964 DYYTVURUDDQNLO-JMERFSKESA-N 396.731 5.302 50 1 GKGF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H]1C[C@]3(CC[C@H]([C@H](C)C(=O)OC)OO3)CC[C@]21C 2356331384 ZQSPCLSXMHXWQA-BYKUIFLTSA-N 390.564 5.608 50 1 GKGF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(CCCC[C@@]5(C)C3=CC[C@]12C)OO4 2356753918 PHIXKPKYKLOBJF-SZOUBDJTSA-N 396.615 7.177 50 1 GKGF C=C(C(=O)OC)[C@@H](c1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1 473097100 BYIYOKKWABXPFQ-FCHUYYIVSA-N 396.603 6.263 50 1 GKGF CC[C@H](C)c1ccc2[nH]c(CCl)c(CN3C(=O)c4ccccc4C3=O)c2c1 587639356 SUJSIOIBRGGKFG-ZDUSSCGKSA-N 380.875 5.216 50 1 GKGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@]3(C)O)C(C=O)=CC[C@@H]12 2356616328 TXEVVAPERSDMTN-YMFTYUKWSA-N 384.560 5.053 50 1 GKGF CC(C)(C)N(NC(=O)c1cccc(Cl)c1Cl)C(=O)c1ccccc1Cl 103200382 OQJGHOJKYUGBFU-UHFFFAOYSA-N 399.705 5.233 50 1 GKGF Cc1ccc([C@@H]2[C@H](C)C(=O)[C@H](C)[C@@H](c3ccc(C)cc3)N2C(=O)CCl)cc1 169318581 ZBCVQQXIRKHYLH-YVCBRDFCSA-N 383.919 5.008 50 1 GKGF C[C@H](/C=C/C=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 255261917 QZKKZSSKSNFSOQ-CMAMBYOASA-N 398.631 6.178 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(OC)c(Cl)c1)CC2=O 587460597 NQDBFHVGODTXGN-HXUWFJFHSA-N 395.282 5.106 50 1 GKGF CC[C@H](Br)[C@@H]1CC=CC[C@@H]2C[C@H](C=C=CBr)C[C@H]2O1 2356791141 GLBSRSSXAMOFRL-XRZSWATDSA-N 390.159 5.354 50 1 GKGF C[C@@H](Cl)[C@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508547 WIIQRYUJPBYNDQ-GTJPDFRWSA-N 376.830 5.332 50 1 GKGF CC1(C)CCc2nc(SSc3nc4c(s3)CC(C)(C)CC4)sc2C1 1772582275 ZDPARBQHOMADRG-UHFFFAOYSA-N 396.672 6.429 50 1 GKGF CCCC[C@H](CC)C/C(=C/[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1)CC 138487579 MQOXHEXIFJRZSO-NEVNYHIDSA-N 382.585 6.388 50 1 GKGF CN(C)c1ccc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 2356311283 BRBQPOXDHMSEFU-UHFFFAOYSA-N 381.504 6.093 50 1 GKGF CC(=CC(Cl)Cl)[C@@H](Br)C=C[C@](C)(Cl)CBr 2356754013 XYWJXYNATGBZQB-WPRPVWTQSA-N 399.381 5.449 50 1 GKGF C[C@]1(CCCCCCCCCCc2ccccc2)C[C@@](C)(CC(=O)O)OO1 85897147 LSOSWFXHGHKMMC-XZOQPEGZSA-N 376.537 6.084 50 1 GKGF biogenic COc1ccc([C@H]2CC3=NC(C)=C(C#N)[C@@H](c4cccc(F)c4)C3=C(O)C2)cc1 104693241 KFUDEKWTFOAEBE-GAJHUEQPSA-N 388.442 5.560 50 1 GKGF O=C(/C=C/c1ccc(Cl)cc1)SSC(=O)/C=C/c1ccc(Cl)cc1 473122507 SQAJINHFGYGTSJ-YDWXAUTNSA-N 395.332 6.155 50 1 GKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3CCOC3)nc2c1 586912426 RTJTZSNSEDCMIC-LURJTMIESA-N 393.175 5.487 50 1 GKGF Nc1cc(Br)ccc1-c1[nH]c2cc(Cl)c(F)cc2c1CCl 587628964 WRBAUTBSZDRKKR-UHFFFAOYSA-N 388.067 5.711 50 1 GKGF Clc1cccc(Nc2ncnc3c2cnn3C[C@H](Cl)c2ccccc2)c1 28862130 NZWFYGUFULGMCI-KRWDZBQOSA-N 384.270 5.203 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccc(F)c(F)c1)([C@H](C)Cl)CC2=O 587465066 ABTOHOYERHWMKL-YBTHPKLGSA-N 380.818 5.111 50 1 GKGF CCCc1c(O)ccc2c1O[C@@H](c1cc(CBr)ccc1F)CC2=O 587466516 MIFKFMVFJBUGOL-GOSISDBHSA-N 393.252 5.085 50 1 GKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccccc1F 587569683 SBMMDQJTPPTGFY-DENIHFKCSA-N 398.817 5.017 50 1 GKGF O=Cc1ccc(OCCCCCCCCCCCCCBr)cc1O 1857647156 YWPOBYAIAYKTCN-UHFFFAOYSA-N 399.369 6.270 50 1 GKGF COc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3ccc3ccccc43)cc2c1 3989705 ZQZDMDZWAZDAIM-MRXNPFEDSA-N 390.870 5.313 50 1 GKGF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587163544 MGLAQGROFYEINY-HNNXBMFYSA-N 395.372 6.010 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)C)cc1C(C)C)([C@@H](C)Cl)O2 587374256 VLMFNCWKBDWHMR-GYCJOSAFSA-N 399.962 6.312 50 1 GKGF O=C1C[C@](CCl)(c2ccc3c(c2)CCCC3)Oc2c1ccc1c2CCCC1 587498882 QCGQZNMBYRWBPZ-DEOSSOPVSA-N 380.915 5.544 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccccc2)N1 587686437 VHTZHWDJMTYVNV-YJYMSZOUSA-N 396.731 5.385 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N=C=S)c2)N1 587846051 STSPWLWDOZUZQP-VOJFVSQTSA-N 391.309 5.120 50 1 GKGF N#Cc1c(CCl)c([C@@H]2NCCc3cccc(-c4ccccc4)c32)n2ccccc12 962673268 WKSJJIWQIOANPB-XMMPIXPASA-N 397.909 5.452 50 1 GKGF C/C(C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 100778199 CAXVJDRXJFKYQP-YVJNJWQSSA-N 382.544 5.401 50 1 GKGF endogenous,in-man COc1ccc(/C(Nc2ccccc2)=C(\CCl)c2ccccc2)cc1OC 102917882 INEVDXMMPVVOMJ-ATJXCDBQSA-N 379.887 5.923 50 1 GKGF O=c1c2ccc(Cl)cc2ncn1CCCCCCCCCCBr 473126184 ZLESKDIQUWEUIN-UHFFFAOYSA-N 399.760 5.566 50 1 GKGF Cn1cccc1CN1CCc2sccc2[C@H]1CO[Si](C)(C)C(C)(C)C 962372742 JMJYNAMCBNGYJZ-GOSISDBHSA-N 376.642 5.208 50 1 GKGF C=C[C@]1(C)C[C@H](C=C(C)CCC=C(C)C=O)Oc2oc3cccc(C)c3c(=O)c21 2356431188 GBIHCVINTFQKQS-UQBPGWFLSA-N 392.495 5.568 50 1 GKGF C[C@H](/C=C/C=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 255254834 OMTDEDXAIWMZOG-KFWKGWKGSA-N 396.615 6.386 50 1 GKGF N[C@@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H]1c1ccccc1F 587157014 QRYKXICKXUKUMR-BZNIZROVSA-N 393.356 5.701 50 1 GKGF COc1cccc(-c2cc([C@@H](Br)C=O)nc3c2oc2ccccc23)c1 587358373 CWPOKROERAFFOP-INIZCTEOSA-N 396.240 5.292 50 1 GKGF C[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501040 VYMGZDIBOFCLAI-QKKBWIMNSA-N 385.301 5.210 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(CCCl)cc2)N1 587681806 AYCDFXXHWVQQJQ-CWTRNNRKSA-N 396.731 5.167 50 1 GKGF CCCCC[C@@H](C=CC=CC=C[C@@H](CC=CCC=CCCC(=O)O)OO)OO 2356725428 OBXRYBLVMCAPKM-LEWJYISDSA-N 394.508 5.709 50 1 GKGF CC1(C)CCC[C@]2(C)[C@@H]1CC=C(CO[Si](C)(C)C(C)(C)C)[C@]21COC(=O)O1 2356769644 KPAXDJKUQPPHMF-ZPMCFJSWSA-N 394.628 6.077 50 1 GKGF CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@H](O)CCl)CCC[C@]3(C)[C@H]2CC1 299821998 CVQBKJYQVURQSY-QGAVKGNSSA-N 394.983 5.265 50 1 GKGF Cc1ccc2c3c(c4c(nc13)[C@@H](CCBr)CC4)-c1ccccc1C2=O 586993804 PTIYPUURFIBZNB-CYBMUJFWSA-N 392.296 5.569 50 1 GKGF C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@@]23OO4 169371162 AWWQKXVEUVMHGL-FDQRDGONSA-N 392.923 5.279 50 1 GKGF N#Cc1ccc(Nc2nccc([C@H](Cl)c3ccc(Br)cc3)n2)cc1 169348995 OTJSTTSUYJQYTL-QGZVFWFLSA-N 399.679 5.183 50 1 GKGF C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)C[C@](C)(/C=C/C=O)CC[C@]4(C)[C@H]3CC[C@@]21C 238787093 FISNANYLARCGOG-NPCDOISNSA-N 398.631 6.776 50 1 GKGF Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587687122 FLUURYFNMYWFBN-ORAYPTAESA-N 396.731 5.222 50 1 GKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(Br)o3)nc2c1 587008829 YRJFBXYABNUYMO-UHFFFAOYSA-N 389.143 6.243 50 1 GKGF CC(=CCc1ccccc1)CCC[C@H](C)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@H]2OO1 2356462161 IDTXMDHREDKNGT-IVGWJTKZSA-N 386.532 5.557 50 1 GKGF C[C@@H](C=CC=O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356629013 OMTDEDXAIWMZOG-IRIJOCFFSA-N 396.615 6.386 50 1 GKGF Cc1cccc([C@@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500945 VQPXXWOCGYYFQE-QRQCRPRQSA-N 399.328 5.518 50 1 GKGF C=C(C)[C@H]1C[C@@]2(C)C[C@H](O2)[C@@H]1CC(=C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 39009994 NFNFPHXXILVTBW-VMJIZDNZSA-N 383.370 5.007 50 1 GKGF CC(C)(F)[C@@H](Br)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587087165 MLPQJXJIVOUHPT-VIFPVBQESA-N 397.182 6.404 50 1 GKGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495904 ARCIGLGALILMIY-QHCPKHFHSA-N 399.918 5.066 50 1 GKGF CC(C)=CCC[C@](C)(O)/C=C/C=C(\C)[C@H]1CC[C@@](C)(O)[C@@H](Br)C1 14687832 JNQVRZLAPNDWBX-WNSOBLIASA-N 385.386 5.301 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCCCl)(c1ccc(Cl)s1)CC2=O 587495783 UDYPJPMDJTWQPI-IBGZPJMESA-N 399.339 5.939 50 1 GKGF CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CCc3ccccc3)[C@@H]2C1 4147649 UMMJVINEFNTAGZ-DWLFOUALSA-N 384.527 5.018 50 1 GKGF CCCCCCCCCCN(NC(=O)COC)C(=O)CCCCCCCCC 96940448 AMTZTXCLOLXSKF-UHFFFAOYSA-N 398.632 5.774 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)c1ccc2c(c1)C(C)(C)C(=O)N2 963230260 PCSOKJCXUZPVEP-UPCLLVRISA-N 396.962 5.055 50 1 GKGF C[C@@](Cl)(/C=C/Br)[C@H](Cl)/C=C/C(=C/Cl)C(Cl)Cl 144709505 WSTOEGOKMOGOKF-XXFHVERRSA-N 387.359 5.983 50 1 GKGF CC1=NC(C)=C(C#N)[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)[C@H]1C#N 169692385 JVPROQBJNYSUDC-LAUBAEHRSA-N 383.480 5.096 50 1 GKGF COC(C)(C)[C@H](Br)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586970618 HONXFUPYVWCUDB-SNVBAGLBSA-N 385.611 5.096 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCCC3)CC2=O 587460506 NIRYMVVLLKQKSE-HSZRJFAPSA-N 384.903 5.323 50 1 GKGF C[C@@]1([C@H](Br)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500589 SRHSBHMKZDVURF-RTWAWAEBSA-N 385.301 5.426 50 1 GKGF CC(C)CCC[C@H](C)CCC[C@@H](C)CCCC1=CC[C@H]2C(=O)OC(=O)[C@@H]2C1 43284794 UJZSKNNWYHCFEO-YVNJGZBMSA-N 376.581 6.462 50 1 GKGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1ccc2ccccc2c1 58583912 KUXRPZKBEJDKKT-QHCPKHFHSA-N 388.430 5.064 50 1 GKGF CC=C(C)C(=O)OC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@H]12)C[C@@]45C 2356317081 OTWDRWVSTSNGQX-WHWSAADNSA-N 382.544 5.601 50 1 GKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\C=O)CC(OCC)OCC 95486335 ZLJOGSNKODRXJP-BRFXAHFVSA-N 376.581 6.090 50 1 GKGF biogenic,in-vitro COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C4CCCCC4)cc1)[C@@H](C2)C3=O 587417487 MXMTZBYOXKTBLX-RDPSFJRHSA-N 396.914 5.625 50 1 GKGF O=C1C[C@@](CCCl)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587497771 KXFHJWPWILCSBS-NRFANRHFSA-N 375.295 5.708 50 1 GKGF CC[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500560 SLDLSLYDMILOLA-IRLDBZIGSA-N 399.328 5.600 50 1 GKGF Cc1ccc(C)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587689412 SFEMOWLRMAQCTC-ORAYPTAESA-N 396.731 5.222 50 1 GKGF CC/C=C/C=C/C=C/CCCCCCCC[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 64513064 AXDQPRBNYTZNDV-VYFJUYOPSA-N 390.564 6.371 50 1 GKGF Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(-c3ccccc3)[nH]c3ccccc23)cc1 473248293 MWEHFPOTQGJCHY-HMMYKYKNSA-N 398.487 5.482 50 1 GKGF CCCC[C@@]1(c2cc(OC)c(OC)c(OC)c2)CC(C#N)=C(c2ccccc2)O1 1772584575 VBICBDQZVZXALS-DEOSSOPVSA-N 393.483 5.453 50 1 GKGF C=CCc1c(CBr)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626565 SSIPTMBVSZLQMU-UHFFFAOYSA-N 386.133 5.829 50 1 GKGF COC(=O)C[C@@]1(C)C[C@](C)(C[C@H](C)CCCCCCc2ccccc2)OO1 44386884 RYNXSVDLWWRGRW-OIBXWCBGSA-N 376.537 5.638 50 1 GKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cccs2)[C@@H]1c1ccc(F)cc1 587375526 MRQGPWHAUSUQSV-QUCCMNQESA-N 388.847 5.086 50 1 GKGF CC(C)(F)[C@@H](Br)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587087940 ZDMMVJXGDSWNEH-VIFPVBQESA-N 389.574 5.299 50 1 GKGF O=C(Oc1ccc([N+](=O)[O-])cc1)c1c(-c2ccccc2)sc2c1CCCC2 1772573797 LOJWBYAQFHUPPI-UHFFFAOYSA-N 379.437 5.421 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)c(C)c(C)c1C)CC2=O 587461019 VWFCWCAXCFUBFL-HSZRJFAPSA-N 386.919 5.678 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(C(C)(C)C)cc1)CC2=O 587460709 OWOOJGWIBCWIHK-QHCPKHFHSA-N 386.919 5.742 50 1 GKGF CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1cccc2ccccc12 1857614504 CHTWMSGQUPGJEJ-LSCMLXDISA-N 379.891 5.142 50 1 GKGF CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)/C(=C(\O)OC(C)(C)C)C(C)=N1 103871843 XPPPUQHIXNDKCU-XIGQLOAZSA-N 376.909 5.581 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(-c2noc(C(Cl)Cl)n2)cc1 587906914 ZADPTNHFKHKJST-UHFFFAOYSA-N 393.657 5.275 50 1 GKGF CC(C=O)=CCCC(C)=CCCC(C)=CCc1c(O)c2ccccc2oc1=O 2356606059 BRIDRHNPTZTJFO-UHFFFAOYSA-N 380.484 5.639 50 1 GKGF C[C@]12C[C@@](C)(CCCCCCCCCCc3ccccc3)OO[C@H]1CC(=O)O2 44387736 LBCVLXZWFGNXOB-QTJGBDASSA-N 388.548 5.925 50 1 GKGF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587163545 MGLAQGROFYEINY-OAHLLOKOSA-N 395.372 6.010 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=CC(=O)[C@@]1(C)C[C@H](O)CC1(C)C 2356695584 MWEPRWWNHJVNMU-RCZVLFRGSA-N 382.544 5.449 50 1 GKGF C[C@H](CCC=CCCC=Cc1ccccc1)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@H]2OO1 2356731532 PSBVOOFDCUCSOT-NBUHOVDFSA-N 398.543 6.027 50 1 GKGF CC1=CC[C@@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)O[C@H]1CBr 95914175 BVMIPASLGLRPCO-XFMPKHEZSA-N 380.164 5.075 50 1 GKGF biogenic,in-vitro Cc1ccc([C@@]2(CCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686644 WLFBYMUTVCMHAH-BFUOFWGJSA-N 396.731 5.303 50 1 GKGF Fc1ccc(C[C@@H](Br)c2cc3c4c(cccc4n2)CC3)c(F)c1F 587210388 QTKWGXLSDACTNW-CYBMUJFWSA-N 392.218 5.429 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(S(F)(F)(F)(F)F)c1)O2 587387243 OXTHXBROVXJKPP-QGZVFWFLSA-N 393.377 6.115 50 1 GKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)CBr)c2c1 587639444 WFEDKXHNTXFZQC-CYBMUJFWSA-N 385.305 5.682 50 1 GKGF Cc1ccc([C@@H]2[C@H](C)C(=O)[C@H](C)[C@H](c3ccc(C)cc3)N2C(=O)CCl)cc1 103294628 ZBCVQQXIRKHYLH-NEAWWFDSSA-N 383.919 5.008 50 1 GKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cccs2)[C@H]1c1ccc(F)cc1 587375522 MRQGPWHAUSUQSV-AZUAARDMSA-N 388.847 5.086 50 1 GKGF Cc1cc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1CCl 587498127 MAFBCMCUCPQSQH-DEOSSOPVSA-N 382.931 6.110 50 1 GKGF Cc1cc(C)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C 587499265 SBTAMTNLYALTQS-XMMPIXPASA-N 382.931 5.899 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(Cl)Cl)(C(C)(C)C)N1 587686017 BUKBSGBEZNCXNT-ANRSDYALSA-N 383.132 5.168 50 1 GKGF CCCc1ccc(-c2nn(C[C@H](Cl)c3ccccc3)c3ncnc(N)c23)cc1 1857618959 WQSGFLXKMFIUCR-SFHVURJKSA-N 391.906 5.008 50 1 GKGF CC[C@@H](Oc1ccccc1F)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587155591 MONGYEIRTRBQGK-CQSZACIVSA-N 396.356 6.890 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)[nH]c3ccccc13)CC2=O 587458411 BAXWHFJFDMBHJP-QFIPXVFZSA-N 383.875 5.234 50 1 GKGF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(C(=O)CBr)cc1 27517410 DEJYUEWCESPEEN-RBUKOAKNSA-N 375.306 5.657 50 1 GKGF N#C/C(=C/c1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587189171 YTWFXLPNCINKDW-WDZFZDKYSA-N 392.178 5.408 50 1 GKGF C=C[C@]1(C)C[C@@H](C=C(C)CCC=C(C)C=O)Oc2oc3cccc(C)c3c(=O)c21 2356431187 GBIHCVINTFQKQS-KBMIEXCESA-N 392.495 5.568 50 1 GKGF CCC(C)(C)c1ccc(Oc2ccc3c4c(cccc24)C(=O)C3=C(C#N)C#N)cc1 95586680 MNGHAWVRBFNCQL-UHFFFAOYSA-N 392.458 6.317 50 1 GKGF COc1cccc(-c2c(C)c([C@H](C)Br)nc3c2oc2ccccc23)c1 587361655 XWFHOKUGNGFASV-ZDUSSCGKSA-N 396.284 6.421 50 1 GKGF COc1cc2c3c(c1)O[C@](CCCCl)(c1ccc(Cl)s1)[C@@H](C2)C3=O 587450410 KHJGERZVJRNBLG-SGTLLEGYSA-N 383.296 5.072 50 1 GKGF Cc1ccc([C@]2(CCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587686099 SOPRUJGUFPDONL-DJJJIMSYSA-N 396.731 5.303 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)c1ccc2c(c1)C(C)(C)C(=O)N2 963230262 PCSOKJCXUZPVEP-VOIUYBSRSA-N 396.962 5.055 50 1 GKGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 85951528 REKADLCYCOKRRC-MXYBEHONSA-N 398.610 6.057 50 1 GKGF biogenic N#C/C(=C\c1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)c(Cl)c1 95587315 XJQFREMKEKUPMZ-VCHYOVAHSA-N 381.262 5.370 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C(C)=C1C(C)(C)C[C@H](O)C[C@]1(C)O 2356304854 FSRNSMXGQLRDSO-DHLKQENFSA-N 384.560 5.385 50 1 GKGF CC1=C(CCC(C=O)=CC=CC2=CC(=O)O[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 2356630810 FMCDEBKDPYNHPK-UMXIMWEHSA-N 398.543 5.193 50 1 GKGF O=CC1=CC=C(c2ccc3c(c2)Cc2ccccc2-3)C[C@H]1c1ccc([N+](=O)[O-])cc1 40980219 XHWREFFKEPYUOD-SANMLTNESA-N 393.442 5.862 50 1 GKGF O=C1[C@@H](Cl)[C@@H](c2cc3ccccc3nc2Cl)N1c1ccccc1Cl 103167902 SLLCYDORYMODFK-JKSUJKDBSA-N 377.658 5.237 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(Cc1ccccc1Cl)CC2=O 587459686 OZIKIGJMEIEQGT-HXUWFJFHSA-N 379.283 5.184 50 1 GKGF O=C1C[C@](CCl)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587498878 PZUAAHVQEDEBFO-FQEVSTJZSA-N 395.713 5.972 50 1 GKGF O=CC1=CC=C(c2ccc(-c3ccccc3)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 40980337 ATYHHTLYIZLCHV-RUZDIDTESA-N 381.431 5.958 50 1 GKGF Cc1ccc([C@@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498459 HKXXICQMVUCOKS-QRQCRPRQSA-N 399.328 5.518 50 1 GKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CCCCl)c1ncco1 963198938 BJHQAJILINCKNQ-FYYLOGMGSA-N 391.902 5.060 50 1 GKGF O=C(Oc1cccc(Cl)c1Cl)c1cc2cc(CCl)ccc2oc1=O 13676434 FRZZUMFHKUBYJP-UHFFFAOYSA-N 383.614 5.058 50 1 GKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(F)cc3)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103197494 VCBFYGBIGSMOQR-TXRQHSEUSA-N 390.495 5.010 50 1 GKGF CCCCC/C=C\[C@H](C)/C=C\C/C=C/C/C=C\CCCC(=O)NCCCl 1857762100 BRBPRVJBRBTKSZ-PMGUHBDASA-N 380.016 6.733 50 1 GKGF CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@@H]1c1cccnc1 40447619 JAVNUNRLSDWUCO-VSRNGQBXSA-N 391.496 5.016 50 1 GKGF S=C=NC=CCCCCCCCCCCCCCCCC=CN=C=S 2356744214 LUVPXVZLJXVFPP-UHFFFAOYSA-N 378.651 8.071 50 1 GKGF C=C[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H]5OCSS[C@@H]5[C@]4(C)[C@H]3CC[C@]12C 2356657834 VJOSXUKYBPWMSR-BGLTWZKASA-N 392.630 5.727 50 1 GKGF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587160909 ICSXAAWLQRGFNK-STQMWFEESA-N 378.341 6.631 50 1 GKGF N#Cc1ccc(Nc2nccc([C@H](Cl)c3cccc(Br)c3)n2)cc1 169348989 RXDCXDIYOXFKCR-QGZVFWFLSA-N 399.679 5.183 50 1 GKGF C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500123 YMNPIFPHNKLXHN-LFVRLGFBSA-N 397.902 5.012 50 1 GKGF COc1ccc(Cl)cc1C#CCc1c(CBr)ccc2ccccc12 587898655 OFXJFNNEQOQDIY-UHFFFAOYSA-N 399.715 5.991 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc(OCCCCl)cc1O 963225753 FYRWYZGRAHVPTQ-GAJHUEQPSA-N 387.951 5.320 50 1 GKGF O=C(/N=N/c1ccccc1Br)NNc1ccccc1Br 17779187 AJASNKMNMURWOG-HTXNQAPBSA-N 398.058 5.032 50 1 GKGF Cc1ccc(-c2nc3sc(Cc4ccc(Cl)cc4)nn3c2SC#N)cc1 299831514 QHMNSBCSMDBBOJ-UHFFFAOYSA-N 396.928 5.584 50 1 GKGF Cc1ccc2c3c(c4c(nc13)[C@@H](Br)CCC4)-c1ccccc1C2=O 586993068 HTSHAACJGMESIY-INIZCTEOSA-N 378.269 5.527 50 1 GKGF O=C1C[C@](CCl)(CC23CC4CC(CC(C4)C2)C3)Oc2c1ccc1c2CCCC1 587495974 BBEXJQAQMMPWMM-UIPSMAFQSA-N 398.974 6.115 50 1 GKGF C[C@H](C(=O)O)[C@H]1CC[C@@](C)(CCC=C2CCC3=C(CCCC3(C)C)C2)OO1 2356539916 FYBDKPKXLFVFLO-LERMDLETSA-N 376.537 5.974 50 1 GKGF ClCCN(CCCl)CCCCOc1cccc2cc3ccccc3nc12 43524489 RFTGYFZCCHIPIV-UHFFFAOYSA-N 391.342 5.327 50 1 GKGF CC1(C)C[C@@]2(C)C(=CC1=O)[C@H](Br)C[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 215510393 ONZNYUINEAKZPL-ZGKZZVMJSA-N 393.365 5.097 50 1 GKGF O=C(O)c1ccccc1/C=C/c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586880356 PRTFICQSNMCBHL-VMPITWQZSA-N 390.333 6.089 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1c(C)[nH]c3ccccc13)([C@@H](C)Cl)CC2=O 587459203 NDFLSXOXJQRELU-QKFKETGDSA-N 397.902 5.622 50 1 GKGF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Br)cc3F)c(CCl)c12 587645771 JRADHUXKMOUOAO-UHFFFAOYSA-N 383.604 5.384 50 1 GKGF O=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1cccc(Br)c1 33346770 DNYLFYAAYWLEFD-HMAPJEAMSA-N 395.256 5.005 50 1 GKGF CC1=C(/C=C/C(C)=C/C=C/C2=CC=C(C=O)[C@@H](c3ccccc3)C2)C(C)(C)CCC1 40829048 CXJUQLBJAMMHRN-IWKGRLIRSA-N 398.590 7.811 50 1 GKGF C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963100435 AXYQGLAEVKHXRN-SWDVRCMSSA-N 385.954 6.015 50 1 GKGF CC(C)(C)c1ccc(/C=C/C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)cc1 1857640691 YQGKSDXAYGJUGT-VSEUVJPWSA-N 382.507 5.815 50 1 GKGF CC(C)c1ccc(OC[C@@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)cc1 963117233 XYCIRRVAYGTLEQ-HXUWFJFHSA-N 398.761 5.776 50 1 GKGF CC/C=C/[C@H](CC)C[C@H](CC)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 140108955 QAMYVKULCKIRQZ-VCPPSLQSSA-N 382.585 6.244 50 1 GKGF COC(C)(C)[C@H](Br)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586970818 HJZGMBHUDIGAAH-MRXNPFEDSA-N 375.266 5.216 50 1 GKGF C[C@](Cl)(C=CCl)[C@H](Cl)C=C[C@@](Cl)(CCl)CBr 2356521012 HCTBSUXDIUTHQM-UTLUCORTSA-N 389.375 5.511 50 1 GKGF C#CC=CCC(Br)=C1C[C@@H]2C[C@H](CC)[C@H](Br)C[C@@H]2O1 2356850549 PQYMHWIWKZHKFO-VIRABCJISA-N 388.143 5.161 50 1 GKGF CCC[C@@H](/C=C/C=C\CCCCCCCc1cccc(O)c1C(=O)O)OO 44406794 XJLJKGBUSUTUMJ-LHVSSVPVSA-N 376.493 5.744 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(Cl)cc1Cl)CC2=O 587460113 ROWMQVXMUQFRLS-LJQANCHMSA-N 399.701 5.751 50 1 GKGF C[C@@H](Cl)C(=O)Nc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500121 YMNPIFPHNKLXHN-FATZIPQQSA-N 397.902 5.012 50 1 GKGF Cc1ccc([C@]2(CCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686646 WLFBYMUTVCMHAH-DJJJIMSYSA-N 396.731 5.303 50 1 GKGF CC1=CC[C@H]2[C@H](C1)c1c(O)cc(CC#C[C@@H](C)Br)cc1OC2(C)C 27755638 HFQLAXKYDSXFCZ-PVAVHDDUSA-N 389.333 5.332 50 1 GKGF COc1ccc2c(c1)[C@@H](CCNC(=O)CCCCl)C[C@@H](c1ccccc1)C2 40423745 BLMCLRWCXYYWTB-PMACEKPBSA-N 385.935 5.034 50 1 GKGF CC/C=C/[C@H](CC)C/C(=C/[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)CC 197307269 PAXJPQSBALSCDZ-JKHYJWGNSA-N 380.569 6.164 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CSC#N)(c1cccc(Cl)c1)CC2=O 587493615 STMSSMRKIIXQGS-HXUWFJFHSA-N 387.888 5.073 50 1 GKGF CC1=CC(=O)[C@H]2C(C=O)=CC[C@H]3[C@@H]([C@@H](C)/C=C\[C@@H]4OC4(C)C)CC[C@]3(C)C[C@H]12 1857574097 HPDVXTMBSBRHFZ-HMRCBIGLSA-N 382.544 5.069 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 587042171 IQRDVAUHQNBUIB-AWEZNQCLSA-N 378.391 6.610 50 1 GKGF C[C@H](Cl)[C@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587497743 KRSJJOZBQLDPQY-OWJWWREXSA-N 380.915 5.542 50 1 GKGF Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCCl)cc1 587623026 WXJNJJKMUZKERB-UHFFFAOYSA-N 392.659 5.394 50 1 GKGF N#C/C=C/c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1 103239636 RQCWIYRBTJIXSH-XYOKQWHBSA-N 385.467 5.649 50 1 GKGF CCCCCCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372222 KBBBPIGSZDDGSK-HSZRJFAPSA-N 385.935 5.800 50 1 GKGF Fc1ccc([C@]2(CCCCCl)c3c(F)cccc3C[C@H]3CCCN32)cc1 963108331 LIRVGRLMWMHHRB-DENIHFKCSA-N 375.890 5.638 50 1 GKGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]12 2356616326 TXEVVAPERSDMTN-GGHBYBEPSA-N 384.560 5.053 50 1 GKGF C[C@]1(O)CC[C@H]2C[C@H]1OO[C@@]2(CSc1ccc(Cl)cc1)c1ccccc1 253861301 BIEDNDKWYIQBRJ-CZGNIMDHSA-N 390.932 5.209 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586973153 FYSNEVDHORYBQQ-MRVPVSSYSA-N 385.639 5.541 50 1 GKGF O=C1C[C@@H](c2cccc(F)c2CBr)Oc2c1ccc1c2CCCC1 587509838 XDHTXXFASOZBGQ-IBGZPJMESA-N 389.264 5.306 50 1 GKGF CCCNc1nc(SC)nc2c1cnn2C[C@@H](Cl)c1ccc(Cl)cc1 40913996 PQGAFDPCIGTESN-CQSZACIVSA-N 396.347 5.004 50 1 GKGF C=C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H]5OCSS[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 139401363 VJOSXUKYBPWMSR-GFJDSEGRSA-N 392.630 5.727 50 1 GKGF BrCCCCCCCNc1c2c(nc3ccccc13)CCCC2 216491826 RMDOBORSJJKUSV-UHFFFAOYSA-N 375.354 5.871 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(CCl)c2)N1 587686851 XSAIQAQYWSQVCR-ZMZPIMSZSA-N 382.704 5.125 50 1 GKGF CC(=CCC[C@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1)CCC1=C(C)CCCC1(C)C 2356747492 ZJKZMXQQSDVDLA-XZDHIHRUSA-N 392.580 6.610 50 1 GKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1ccc(N)c(Nc2ccc(C#N)cc2)c1 66259850 MUBHRENEQVNRBU-ONEGZZNKSA-N 380.451 5.830 50 1 GKGF C[C@H](Cl)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320433 AEFCZSLFLAXXDN-NNIZRDCOSA-N 396.845 5.413 50 1 GKGF [C-]#[N+][C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 84672099 LVOCWYJKDHYYGK-UIALXTEESA-N 397.691 8.396 50 1 GKGF CC(=O)Nc1cccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587242538 PDCBJAAJTXHHBD-UHFFFAOYSA-N 391.365 5.770 50 1 GKGF Cc1ccc([C@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498458 HKXXICQMVUCOKS-OYHNWAKOSA-N 399.328 5.518 50 1 GKGF CC(C)=CCC[C@H](C)[C@@]1(O)CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(C=O)=CC[C@@H]12 142329474 NELFJHALXVSFHU-CUQWSFKASA-N 384.560 5.197 50 1 GKGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](Br)CCCC3 587101194 FBCPCDXVIMLGHL-INIZCTEOSA-N 378.269 5.609 50 1 GKGF CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc2c(c1)OCO2 3172928 FXKVJYHWHRDYBW-UHFFFAOYSA-N 399.475 5.630 50 1 GKGF C[C@]1(C(Cl)Cl)[C@H]2[C@H](Cl)C[C@@]1(C(Cl)Cl)[C@H](Cl)[C@@H]2Cl 2356515613 UOGZWWISWPADQM-JCCDIEOCSA-N 379.369 5.442 50 1 GKGF CCC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499865 WKRGBOMXMPCCIJ-HSZRJFAPSA-N 397.902 5.013 50 1 GKGF Cc1ccc([C@@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498457 HKXXICQMVUCOKS-NYHFZMIOSA-N 399.328 5.518 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(CCl)c2)N1 587683391 GSTAOMFYIYAGPB-BBATYDOGSA-N 382.704 5.125 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(Cl)Cl)(C(C)(C)C)N1 587686049 BUKBSGBEZNCXNT-AYVTZFPOSA-N 383.132 5.168 50 1 GKGF C[C@@H](c1ccccc1)N(Cc1ccccc1)C1=NC[C@@H](CBr)S1 82052536 UYIKHUDEUBDELO-MAUKXSAKSA-N 389.362 5.116 50 1 GKGF COC(=O)CCCCCCC/C=C/C/C=C\CCCCCO[Si](C)(C)C 195805938 PXCVUVNYVTZSNY-BTHQEHEQSA-N 382.661 6.805 50 1 GKGF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C=O)C[C@@H]21 29569615 AARQDCQBCMFBPF-WOJBJXKFSA-N 384.560 6.430 50 1 GKGF Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C3CC3)nc2n1 73313279 JFTBSVDVJGSVIE-UHFFFAOYSA-N 391.369 5.711 50 1 GKGF Cc1ccc(C)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587689411 SFEMOWLRMAQCTC-DJJJIMSYSA-N 396.731 5.222 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N=C=S)c2)N1 587847013 VWKZJQPZNQQSHE-ZMZPIMSZSA-N 391.309 5.120 50 1 GKGF FC(F)(F)c1cccnc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587109150 UFGSNZIRPJSYHG-UHFFFAOYSA-N 389.271 6.301 50 1 GKGF Cc1ccc([C@]2(CCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546042 UUXVIEFQVLDOJS-REWPJTCUSA-N 394.854 5.187 50 1 GKGF C[Si](C)(C)OC1CCC(c2cc3ccccc3s2)(N2CCCCC2)CC1 195506636 JOBAGXWSTPJQSE-UHFFFAOYSA-N 387.665 6.377 50 1 GKGF CCCc1sc(=N)[nH]c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587013402 ODANRRXNBBHCIU-UHFFFAOYSA-N 384.399 5.709 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)c1ccc(C(F)(F)F)cc1 963229589 NZEVRTWCLKJVHB-MGPUTAFESA-N 381.869 5.844 50 1 GKGF CCCCC/C=N/NC(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 1857616689 LVPJJYGXABPYHI-ZVHZXABRSA-N 381.907 5.639 50 1 GKGF O=C(c1ccc(S(F)(F)(F)(F)F)cc1)c1coc2ccc(Cl)cc12 587279426 SUXXQZDTISSJOD-UHFFFAOYSA-N 382.737 6.975 50 1 GKGF Cc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541647 COLQLNUITSDDTC-NQKDMWHGSA-N 394.854 5.185 50 1 GKGF C[C@@]1(c2cccc(N=C=S)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613270 NQANXTUBZXOGQM-KNQAVFIVSA-N 389.432 5.004 50 1 GKGF C=C[C@]1(C)CC[C@H](O)[C@](C)(CC[C@H]2C(C)=CC[C@@H](Br)C2(C)C)O1 2356796100 MUTPABRFEJFFKI-NDLGOLERSA-N 385.386 5.397 50 1 GKGF C[C@]1(c2ccc(CBr)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500079 QDPLXTTUPRNFKW-OAQYLSRUSA-N 385.301 5.341 50 1 GKGF O=[N+]([O-])c1ccc(/C=C/CSSC/C=C/c2ccc([N+](=O)[O-])cc2)cc1 28374200 OCUPBIBLSXREJB-ZPUQHVIOSA-N 388.470 5.611 50 1 GKGF CC(C)=CCC/C(C)=C\C=N/NC(=O)c1ccccc1Nc1cccc(C)c1C 98084108 GACXMERGZOJJQC-FAWKIMKJSA-N 389.543 6.455 50 1 GKGF CCCCCCc1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587418607 UIFXBHAYGKMYLD-YKSBVNFPSA-N 398.930 5.700 50 1 GKGF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@](C)(C=CC=O)C[C@@]3(C)CC[C@]21C 2356614032 FISNANYLARCGOG-WMLRFPDFSA-N 398.631 6.776 50 1 GKGF CC(C)=CC/C=C(/C)C/C=N/NC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 95581045 QIDNEEFTZHDHNQ-DNIUXWFRSA-N 387.871 5.190 50 1 GKGF Cc1nc(C2CC2)sc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587011051 AZAKWDODRHNHRY-UHFFFAOYSA-N 381.395 6.530 50 1 GKGF Cc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587689504 TWQZHORVRFVIQQ-QUJCMNEKSA-N 396.731 5.302 50 1 GKGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@H]12 2356616327 TXEVVAPERSDMTN-JNNKLBEBSA-N 384.560 5.053 50 1 GKGF CCOC(=O)c1c(O)csc1Nc1ccc(S(F)(F)(F)(F)F)cc1 169730443 ACFZLJXFAAMOEL-UHFFFAOYSA-N 389.367 6.031 50 1 GKGF COc1c(F)ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1N 587133672 YVPHVGIKEWAEFC-UHFFFAOYSA-N 383.317 5.617 50 1 GKGF O=C1C[C@](CCl)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510783 YJIGNCGUSCSVDK-FQEVSTJZSA-N 394.820 5.684 50 1 GKGF C[C@@]1(O)CC[C@H]2C[C@@H]1OO[C@]2(CSc1ccc(Cl)cc1)c1ccccc1 44032176 BIEDNDKWYIQBRJ-VRXWPRPYSA-N 390.932 5.209 50 1 GKGF C[C@]1(CC(=O)NCc2cccc(-c3ccccc3)c2)CC2(CCCCC2)OO1 49679394 KTCKRRRPSKOKJZ-QHCPKHFHSA-N 379.500 5.173 50 1 GKGF Cn1c2c(c3ccccc31)SSc1c(c3ccccc3n1C)SS2 299860800 HDYRMXKQZDKCFG-UHFFFAOYSA-N 386.592 6.582 50 1 GKGF Cc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 587187893 MLTSHEUSLFJFQM-WUXMJOGZSA-N 395.306 5.973 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1ccccc1Cl)CC2=O 587493958 UYMBLSHUIMSTIH-FQEVSTJZSA-N 387.888 5.073 50 1 GKGF Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587541887 DSWCNDOSTKPFDZ-NFBKMPQASA-N 394.854 5.105 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=CC(=O)[C@]1(C)C[C@H](O)CC1(C)C 2356695585 MWEPRWWNHJVNMU-RDGATRHJSA-N 382.544 5.449 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)cc(C)c(C)c1C)CC2=O 587458132 GQHBFOQMCQXBGU-QHCPKHFHSA-N 386.919 5.678 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@@H](Cl)N=O)CC2=O 587460638 VFTYPXMWJZFSJS-OALUTQOASA-N 394.254 5.190 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)c(F)cc1F)CC2=O 587466878 PVJRNIOQRXVBJN-HXUWFJFHSA-N 380.818 5.031 50 1 GKGF O=C1C[C@]2(C[C@H](Br)c3ccccc32)Oc2c1ccc1c2CCCC1 587500835 YHWRIHOSWXJJTG-RXVVDRJESA-N 383.285 5.266 50 1 GKGF CC(C)(C)c1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CCCl)cc1 587648934 JTIFTPQMUJBCGH-UHFFFAOYSA-N 389.948 5.317 50 1 GKGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(CCCCl)c1ccc(F)c(F)c1 963087499 CSVYMQIULHVVMW-DYESRHJHSA-N 379.853 5.387 50 1 GKGF Cc1cc([C@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)c(C)n1C(C)C 963111262 NTIPNGDPEQTXLL-IBGZPJMESA-N 385.766 5.621 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=C[C@@H]1C(C)(C)C[C@H](O)C[C@@]1(C)O 2356284434 ARDVFBZKQUUHJT-JBRSBNLGSA-N 384.560 5.241 50 1 GKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@@H](C)C=C(C)CO 2356705988 MQYNZOSOJSWUMT-UGNRZPKXSA-N 386.649 5.272 50 1 GKGF CCc1c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c(C)c1C(C)=O 587498324 MYQNUUZJOAKFQO-QHCPKHFHSA-N 399.918 5.066 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2cccs2)N1 587847231 JRQXWGCUTJQJTL-MGPLVRAMSA-N 388.733 5.056 50 1 GKGF Cc1cc2c(cc1F)[C@](CCCCCCl)(c1ccccc1Cl)NCC2 962374631 LVGFZXQVSFHALY-NRFANRHFSA-N 380.334 5.976 50 1 GKGF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(CCCC[C@]5(C)C3=CC[C@]12C)OO4 49881728 PHIXKPKYKLOBJF-QDPOPFCKSA-N 396.615 7.177 50 1 GKGF C[C@](Cl)(/C=C/Cl)[C@H](Cl)/C=C/[C@@](Cl)(CCl)CBr 73276827 HCTBSUXDIUTHQM-MGWSQPPBSA-N 389.375 5.511 50 1 GKGF COC(C)(C)CCC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)C=O 146367740 UPQWPKXSLBUERR-IATSONSVSA-N 396.571 6.413 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc(C)c(NC(=O)CCCCl)c(C)c1 587903880 SPRSPCUQVOEFRG-UHFFFAOYSA-N 390.310 5.323 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587967478 HYGSFGSSTUGTKM-DHZHZOJOSA-N 396.384 7.544 50 1 GKGF Cc1ccc2c3c(cc([C@@H](Cl)C(=O)C(F)(F)F)nc13)-c1ccccc1C2=O 586993166 LZJRWQQFFBMPSH-MRXNPFEDSA-N 389.760 5.166 50 1 GKGF CCc1ccc(CC)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499522 UVLZDHRQOCPREL-DEOSSOPVSA-N 382.931 5.790 50 1 GKGF O=C1C[C@](CCl)(c2c[nH]c3cc(F)ccc23)Oc2c1ccc1c2CCCC1 587503269 DLBGRWFQMUKLET-QFIPXVFZSA-N 383.850 5.285 50 1 GKGF C[C@]1([C@H](Cl)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545295 QOJNLRGKAABFSZ-BWAGFHJFSA-N 380.827 5.093 50 1 GKGF O=C(O)[C@H](CCCCCCCI)CCC1CCCC1 1911571659 LTXOZEGCTMTEBX-OAHLLOKOSA-N 380.310 5.433 50 1 GKGF C=CCCCCCC[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@@H](C)Cl 2356643638 ZTMHOLOLVATDHU-BYGOPZEFSA-N 398.629 5.931 50 1 GKGF COc1ccc2c(c1)[C@H](CCNC(=O)CCCCl)C[C@@H](c1ccccc1)C2 40423744 BLMCLRWCXYYWTB-UXHICEINSA-N 385.935 5.034 50 1 GKGF CC1=C(CC[C@@]2(C)CC[C@@H]([C@H](C)C(=O)O)OO2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 238759040 JEKNAOQKJDUVOS-VBROLGMMSA-N 392.580 6.300 50 1 GKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3CCOC3)nc2c1 586912435 RTJTZSNSEDCMIC-ZCFIWIBFSA-N 393.175 5.487 50 1 GKGF CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1CBr)CC2=O 587465242 BMOQSTLTXLYNME-SFHVURJKSA-N 393.252 5.085 50 1 GKGF C[C@H](C(=O)N/N=C/c1c(F)cccc1F)c1ccc(-c2ccccc2)c(F)c1 103198815 ZTLRORCCHKSREO-JUCPORTRSA-N 382.385 5.025 50 1 GKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@@H](O)C(=C)C 473128390 ZKJKEZGUTNHGBT-SLHNCBLASA-N 385.386 5.157 50 1 GKGF N#C/C(=C/c1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587187971 MWMGWJRNOLWEOB-WDZFZDKYSA-N 392.178 5.408 50 1 GKGF CCCc1c(O)ccc2c1O[C@H](c1cc(CBr)ccc1F)CC2=O 587466517 MIFKFMVFJBUGOL-SFHVURJKSA-N 393.252 5.085 50 1 GKGF CCCCCC[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498637 IRWWYDKBPPKLJS-HXUWFJFHSA-N 379.338 5.635 50 1 GKGF ClCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1Cl 587620975 MKTORYYGSBTQSR-UHFFFAOYSA-N 395.087 5.866 50 1 GKGF CCCCCCC=CC(=O)CCSSCCC(=O)C=CCCCCCC 2356713172 BAICCVKLINUDGQ-UHFFFAOYSA-N 398.678 7.339 50 1 GKGF Cc1nc(C(C#N)=Cc2ccc(N(C)C)cc2)sc1N=Nc1ccc(F)cc1 2356854677 RREQAKCZFSTANM-UHFFFAOYSA-N 391.475 6.136 50 1 GKGF CCCCNc1nc(SCC)nc2c1cnn2C[C@H](Cl)c1ccccc1 13682751 RIIKNMAPWOLEED-INIZCTEOSA-N 389.956 5.130 50 1 GKGF CC(C)(C)c1ccc([C@@H](Cl)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 169348981 DQQBSEXDZZAMQF-HXUWFJFHSA-N 376.891 5.718 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 587026750 MLURKQNWWZUTNC-UHFFFAOYSA-N 386.436 6.715 50 1 GKGF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1CC[C@H]2Br 587495455 DGYGASCQBGXOTO-IFMALSPDSA-N 397.312 5.136 50 1 GKGF CCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587684512 KQWKOBZHLRKHCV-BLVKFPJESA-N 396.731 5.167 50 1 GKGF Cc1ccc(N[P@@](=O)(Oc2ccccc2)N(CCCl)CCCl)cc1 102981389 CZZICUIIFOMZFN-XMMPIXPASA-N 387.247 5.374 50 1 GKGF Cc1cc(/C=C/C#N)cc(F)c1Nc1ccc(F)c(Nc2ccc(C#N)cc2)n1 653729225 JRDYJNXQMAPBPP-NSCUHMNNSA-N 387.393 5.564 50 1 GKGF CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)/C(=C(\O)OC(C)(C)C)C(C)=N1 103871846 XPPPUQHIXNDKCU-YWJBVVMDSA-N 376.909 5.581 50 1 GKGF COc1ccc2c(c1)[C@](CCl)(c1ccc(Cl)c(Cl)c1)N(C(C)C)CC2 962096766 ZRKCUIMHOLHGKA-FQEVSTJZSA-N 398.761 5.751 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=C[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 2356386975 CAXVJDRXJFKYQP-ZKMPZPQNSA-N 382.544 5.401 50 1 GKGF CC(C)C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@H]21)[C@H](C)[C@@]45C 2356690801 LJNUKAWROHMHLA-OQUWKEPSSA-N 384.560 5.537 50 1 GKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 2356793542 KOPJTRKWLYJVCH-NKKJXINNSA-N 386.532 5.882 50 1 GKGF C/C=C/C=C/CCCCCCCCC[C@]1(OC)C=C[C@H](CC(=O)OC)OO1 44431058 HVYBFBDAGMLZEH-IUHHALCCSA-N 380.525 5.422 50 1 GKGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(/C=C\c1ccccc1)c1ccccc1 101406573 IWLDRSHCOSMYIA-WOSAIKLGSA-N 378.468 5.048 50 1 GKGF CC1(C)C[C@@]2(C)C(=CC1=O)[C@@H](Br)C[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 215510347 ONZNYUINEAKZPL-AZVSBUCYSA-N 393.365 5.097 50 1 GKGF C[C@H](C=CC=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 2356476233 FFAHKEMMBZQSGI-GRSKYJRDSA-N 398.631 6.488 50 1 GKGF COC(C)(C)[C@H](Br)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586971639 WNJKTZLVVJPSEG-SNVBAGLBSA-N 385.611 5.096 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c3c(CC)cccc13)CC2=O 587458604 CMYZZGQSRMJVHI-HSZRJFAPSA-N 397.902 5.488 50 1 GKGF O=C(CCCCCCc1ccccc1)c1ncc(-c2ccc(CCl)cn2)o1 103239614 ATPMWXKNVYBCEH-UHFFFAOYSA-N 382.891 5.851 50 1 GKGF CC(=O)Nc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496036 BHANYJASDTXCBH-FATZIPQQSA-N 397.902 5.012 50 1 GKGF CSc1ccc(/C(C)=N/NC(=O)Nc2ccccc2Oc2ccccc2)cc1 103283277 RHPBVUSZSCSYKP-LFVJCYFKSA-N 391.496 5.747 50 1 GKGF COc1ccccc1CC(=O)c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587930248 NRAYWLKYNTZDNH-UHFFFAOYSA-N 392.349 5.654 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)c1ccc2c(c1)cc(O)n2C 963221631 ALTCBFARRIMERK-QMHKHESXSA-N 382.935 5.023 50 1 GKGF CCC=CC=CC=CCCCCCCCC[C@]1(C)C[C@](C)(CC(=O)O)OO1 2356482375 MIXTVNJOFJIRKQ-PKTZIBPZSA-N 378.553 6.530 50 1 GKGF CC(C)COc1cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2cc1Br 587187508 HYSBYZCTRPBVGD-OVCLIPMQSA-N 396.288 5.424 50 1 GKGF Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587545689 SDCMXKWVGZVNHD-NFBKMPQASA-N 394.854 5.105 50 1 GKGF CCC=CC[C@H](C=CC=CCC=CC=C[C@@H](CC=CCCC(=O)O)OO)OO 2356761180 NQUUEKCCEOGKDL-RTWAWAEBSA-N 392.492 5.485 50 1 GKGF Cc1ccc(C2OOC(c3ccc(/C=N/CCc4ccccc4)cc3)OO2)cc1 72173325 KCJYZGWLOXTFPM-KOEQRZSOSA-N 389.451 5.264 50 1 GKGF Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(C)C)nc2n1 73312802 WGKJHZFPPGJYME-UHFFFAOYSA-N 393.385 5.957 50 1 GKGF O=C1C[C@](CCl)(c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587496527 DQJCYFZEXDLGIR-FQEVSTJZSA-N 395.713 5.972 50 1 GKGF O=C1C[C@@H](c2ccc(CBr)c(F)c2)Oc2c1ccc1c2CCCC1 587509262 XYPJWSQEESPMOR-IBGZPJMESA-N 389.264 5.306 50 1 GKGF CC(C)c1ccc(OC[C@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)cc1 963117232 XYCIRRVAYGTLEQ-FQEVSTJZSA-N 398.761 5.776 50 1 GKGF CCC=CC[C@@H](C=CC=CCC=CC=C[C@@H](CC=CCCC(=O)O)OO)OO 2356761181 NQUUEKCCEOGKDL-SFTDATJTSA-N 392.492 5.485 50 1 GKGF COC(=O)[C@H](Cl)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587358955 VTVSBFBSVYTJEH-GOSISDBHSA-N 395.842 5.418 50 1 GKGF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CCBr)c2c1 587639298 QRXTWIGNAUSRBD-ZDUSSCGKSA-N 390.752 6.939 50 1 GKGF CC(=O)O[C@@H](C)CCCCCCCCCCCCCCC1=C(C)C(=O)OC1=O 85858409 BYWBPIURBJYJMO-SFHVURJKSA-N 394.552 5.799 50 1 GKGF biogenic CC(C)/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)CCCC2 103234590 DJKAQQWUFYYWSQ-SHHOIMCASA-N 386.495 5.214 50 1 GKGF CC1(C)[C@@H]2CC[C@@]1(CCl)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543305 KELAKNNXKPAKCB-LLMIVBOJSA-N 398.886 5.158 50 1 GKGF C=C1CCC[C@@H]2[C@H](CC[C@]3(C)CC[C@H]([C@H](C)C(=O)O)OO3)[C@H](C)CC[C@]12C 2356333735 VRMMLZKUQZCNHU-OMABDTDESA-N 378.553 5.765 50 1 GKGF CCC=CCC=CC=CCCCCCC[C@]1(C)C[C@](C)(CC(=O)OC)OO1 2356645562 VQZBTDHEXDPHRH-PKTZIBPZSA-N 378.553 6.228 50 1 GKGF C/C(C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C 14854698 CAXVJDRXJFKYQP-AIXLXQABSA-N 382.544 5.401 50 1 GKGF endogenous,in-man C[C@@H]1CCc2sc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2C1 587033386 HVXWDJHQDCVSBY-SECBINFHSA-N 394.434 7.074 50 1 GKGF BrCCCCc1ccc(-c2ccc(-c3cccs3)s2)s1 1772576852 WPYGXPWYVJBQQD-UHFFFAOYSA-N 383.401 6.923 50 1 GKGF CCCCCCCCCCCCCCCC[C@]1(C)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356339636 RQLPMLXGGRXMIS-QPTUXGOLSA-N 396.612 7.043 50 1 GKGF CCC=CCC=CC=CCCCCCC[C@@]1(C)C[C@](C)(CC(=O)OC)OO1 2356645561 VQZBTDHEXDPHRH-GOTSBHOMSA-N 378.553 6.228 50 1 GKGF COc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(OC)c1C 587787721 ONDSPXVDVRCHHB-UHFFFAOYSA-N 394.365 6.213 50 1 GKGF CCC=CC[C@H](C=CC=CCC=CC=C[C@H](CC=CCCC(=O)O)OO)OO 2356761179 NQUUEKCCEOGKDL-NHCUHLMSSA-N 392.492 5.485 50 1 GKGF Cc1cc2c(cc1C)C(Cl)=C(/C=N/NC(=O)c1cccc(Cl)c1)CCC2 299829854 VOHBTDZHPGQBLH-WYMPLXKRSA-N 387.310 5.659 50 1 GKGF CC(C)CC(=O)OC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@@H]4[C@H]5C[C@@]3(CC[C@H]12)[C@H](C)[C@@]45C 525915269 STLBXYOSWNQTAD-PLSHAZBASA-N 398.587 5.927 50 1 GKGF biogenic CC/N=c1/cc2oc3cc(NCCCCl)c4ccccc4c3nc-2cc1C 29057342 DWAMXMVZXIXXHC-ULJHMMPZSA-N 379.891 5.356 50 1 GKGF CC1=C(/C=C/C(C)=C/C=C/C2=CC=C(C=O)[C@H](c3ccccc3)C2)C(C)(C)CCC1 40829046 CXJUQLBJAMMHRN-IQROANAVSA-N 398.590 7.811 50 1 GKGF O=C(Nc1cccc2ccccc12)c1ccc(N(CCCl)CCCl)cc1 49767007 PKAIPZNLOTUQKE-UHFFFAOYSA-N 387.310 5.376 50 1 GKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1N 66259927 DCSYDITWWRHDSE-ONEGZZNKSA-N 395.466 5.412 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)c(F)c1)([C@@H](C)Cl)CC2=O 587465063 ABTOHOYERHWMKL-BIBXISHDSA-N 380.818 5.111 50 1 GKGF FC(F)Oc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587130169 FXHPONGKMSWKCA-UHFFFAOYSA-N 386.292 6.489 50 1 GKGF CCCC=CC=CCCCCCCCC[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 2356402411 GMLLVOJRMHMDIV-WWNPGLIZSA-N 378.553 6.205 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=CC(=O)[C@@]1(C)C[C@@H](O)CC1(C)C 2356695586 MWEPRWWNHJVNMU-WIOPSUGQSA-N 382.544 5.449 50 1 GKGF CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2Cl)C(C)(C)C)cc1 103197581 SXFBNFBHSBQUPU-UHFFFAOYSA-N 386.923 5.105 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1F)([C@@H](C)Cl)CC2=O 587466969 OKHLTPOXHXBLLJ-BIBXISHDSA-N 380.818 5.111 50 1 GKGF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(CCCC[C@@]5(C)C3=CC[C@@]12C)OO4 2356413556 CZLIBAKQDCPVLQ-HQPXNFKDSA-N 396.615 7.177 50 1 GKGF CCO/C=N/C1=C(C#N)[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)O1 64548394 YXFMJVLBWKOIRV-RPRPLSGUSA-N 398.462 5.001 50 1 GKGF O=C1C[C@](CBr)(C2CCCCC2)Oc2c1ccc1c2CCCC1 587501316 XCCLXGKYLAWGMQ-FQEVSTJZSA-N 377.322 5.245 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(Cl)c(CBr)c1F 587916696 SPIPQXWETXYJJD-UHFFFAOYSA-N 388.063 5.436 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(N=C=S)c(Br)c1 587919631 RLWUIVPAEZPHCG-UHFFFAOYSA-N 378.678 5.245 50 1 GKGF O=C(NNc1ccccc1)Nc1csc(Cc2c(Cl)cccc2Cl)n1 13553603 VLGHBAUBNFZHQP-UHFFFAOYSA-N 393.299 5.189 50 1 GKGF O=c1c([C@H]2N=C(c3ccccc3)SS2)coc2cc(Cl)c(Cl)cc12 45287399 YJBWOBXXTZDICA-KRWDZBQOSA-N 394.304 5.940 50 1 GKGF CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(CSc1ccccc1)c1ccccc1 101046891 WURFGWKURSAVKR-SWUCNREESA-N 398.524 5.127 50 1 GKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C3=COCC3)nc2c1 586913901 UUSDKDNEWOXNQM-UHFFFAOYSA-N 391.159 5.744 50 1 GKGF COc1cc2c3c(c1)O[C@@](c1ccc(C(C)(C)C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587418079 RVUAGYXDMWOHRE-PUMRXTBWSA-N 384.903 5.263 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)c1ccc(C(F)(F)F)cc1 963229592 NZEVRTWCLKJVHB-YWZLYKJASA-N 381.869 5.844 50 1 GKGF CCOc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496878 GNPWIIYXTLZFDY-WNSKOXEYSA-N 384.903 5.452 50 1 GKGF CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(CSc1ccccc1)c1ccccc1 253639889 WURFGWKURSAVKR-IZBOUPIGSA-N 398.524 5.127 50 1 GKGF Fc1cccc2c(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)n[nH]c12 587176991 YIRWWKZKYNEMTM-UHFFFAOYSA-N 378.301 5.903 50 1 GKGF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CCCl)c2c1 587638902 JRGVIJSXWMYSKX-ZDUSSCGKSA-N 390.752 6.892 50 1 GKGF C=C[C@]1(C)CC[C@H](O)[C@](C)(CC[C@H]2C(=C)CC[C@H](Br)C2(C)C)O1 2356787954 BUCNKNNXFZPNMG-CAVMOMJPSA-N 385.386 5.397 50 1 GKGF Cc1ccc2c3c(cc(-c4cccc(N=C=S)c4)nc13)-c1ccccc1C2=O 587102342 OCISOKIMUZSAPA-UHFFFAOYSA-N 378.456 6.156 50 1 GKGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC)c(CCl)c1)CC2=O 587462096 WDJIMPCJPFETOT-QFIPXVFZSA-N 388.891 5.363 50 1 GKGF CC1(C)C[C@H]([C@@]23CC[C@@](C)(O2)[C@H](Br)C3)CC[C@H]1Br 85855409 BUMRFOKGCWFBRD-FWZIUSJTSA-N 380.164 5.051 50 1 GKGF biogenic COC(=O)CCCCCCC/C=C/C/C=C/CCCCCO[Si](C)(C)C 195805945 PXCVUVNYVTZSNY-ZMLXFWSASA-N 382.661 6.805 50 1 GKGF COC(=O)[C@@H](Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587358320 RJZFMQOCWNAIQH-SFHVURJKSA-N 381.815 5.110 50 1 GKGF CC(C)(F)[C@@H](Br)c1nc2cc(Cl)cc(Br)c2[nH]1 587086693 GSIWZEIHTDWGGL-VIFPVBQESA-N 384.474 5.163 50 1 GKGF COc1ccc(-c2nc3cccc4c3c(c2CCCl)-c2ccccc2C4=O)cc1 587104093 NQQNXLGKNUVBST-UHFFFAOYSA-N 399.877 5.903 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCl)(c1ccc(C(C)(C)C)cc1)O2 587377729 XWOYVSOYUFBSRN-QHCPKHFHSA-N 385.935 5.754 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Br)c1ccccc1)CC2=O 587455960 HZJMNLOPSBFUOD-WOJBJXKFSA-N 389.289 5.205 50 1 GKGF Fc1ccccc1-c1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 587622356 LSOIWDSNBDPFQL-UHFFFAOYSA-N 378.632 5.352 50 1 GKGF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 2356802628 SMLFTANGNKPQHM-JPQZPWDTSA-N 392.580 6.155 50 1 GKGF COC(C)(C)[C@@H](Br)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586970459 BIPMKMAEFSPWSK-JTQLQIEISA-N 383.233 5.036 50 1 GKGF C[C@]1(c2ccc(CCBr)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498873 JQQNKOHZVVPNBS-JOCHJYFZSA-N 399.328 5.383 50 1 GKGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(SC#N)cc1 587860459 XGFKNYKAEVPFHX-UHFFFAOYSA-N 390.295 5.818 50 1 GKGF C[C@]1(CCCCCCCCCCc2ccccc2)C[C@@]2(C)OC(=O)C[C@@H]2OO1 1637749 LBCVLXZWFGNXOB-OEMFJLHTSA-N 388.548 5.925 50 1 GKGF biogenic C/C(C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C 100778202 CAXVJDRXJFKYQP-HKJDHJPDSA-N 382.544 5.401 50 1 GKGF endogenous,in-man Cc1ccc2c3c(c4c(nc13)CC[C@H](Br)C4)-c1ccccc1C2=O 586993125 IEZMXTPXXUYLJT-LBPRGKRZSA-N 378.269 5.007 50 1 GKGF Cc1nc(-c2cccc(Cl)c2)ccc1C(=O)N/N=C/c1ccc(Cl)cc1 1857632287 ISBRVEVNKOXBII-FSJBWODESA-N 384.266 5.128 50 1 GKGF COc1ccc(/C=N\O[Si](C)(C)C(C)(C)C)cc1O[Si](C)(C)C(C)(C)C 195474936 WJVLSGYGUKKMED-QNGOZBTKSA-N 395.692 6.435 50 1 GKGF COc1cccc(-c2cc([C@H](Br)C=O)nc3c2oc2ccccc23)c1 587358381 CWPOKROERAFFOP-MRXNPFEDSA-N 396.240 5.292 50 1 GKGF Clc1cccc(Nc2ncnc3c2cnn3C[C@@H](Cl)c2ccccc2)c1 28862132 NZWFYGUFULGMCI-QGZVFWFLSA-N 384.270 5.203 50 1 GKGF Cc1cccc([P+](Cc2ccccc2)(c2cccc(C)c2)c2cccc(C)c2)c1 60150950 RNLIPFURNZYJKQ-UHFFFAOYSA-N 395.506 6.106 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 586974507 XCSXUHKEZAFREI-JTQLQIEISA-N 383.211 5.628 50 1 GKGF C[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501042 VYMGZDIBOFCLAI-SPLOXXLWSA-N 385.301 5.210 50 1 GKGF CCOC(=O)Cc1c(CCl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626794 WSWDEXZQMOEULI-UHFFFAOYSA-N 387.707 5.050 50 1 GKGF C[C@@H](C=CC=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@@]21C 2356365342 KLMBCSCMLLUEQQ-OVISGHGPSA-N 384.604 5.788 50 1 GKGF CCCCNc1nc(SCC)nc2c1cnn2C[C@@H](Cl)c1ccccc1 13682747 RIIKNMAPWOLEED-MRXNPFEDSA-N 389.956 5.130 50 1 GKGF O=C1c2ccccc2-c2c(CCCl)c(-c3ccc(F)cc3)nc3cccc1c23 587104478 WICXBWWSCMJWRH-UHFFFAOYSA-N 387.841 6.034 50 1 GKGF C[C@@]1(c2cccc(CCl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542974 KIFCNXHRIYIDNU-KNQAVFIVSA-N 380.827 5.008 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)ccc1N=C=S 587915317 VGMYNTUTNBGEPH-UHFFFAOYSA-N 383.778 5.381 50 1 GKGF CC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CC(C)(C)CC2=N1 104693573 GWBVMHGEQDISSU-DEOSSOPVSA-N 398.506 6.233 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 586973036 FBLVUQCQKBLGKF-VIFPVBQESA-N 384.199 5.023 50 1 GKGF C[C@@]1(c2cccc(CCl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327024 ODUQXVAFORBLGO-GMAHTHKFSA-N 396.845 5.544 50 1 GKGF COc1cc2c3c(c1)O[C@@](CCCCl)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587420990 KERGEVIFFBNZAV-CYFREDJKSA-N 398.930 5.655 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc2sc(/C=C(\C#N)C(=O)O)cc2s1 587921370 WZULFZPNQUSMGA-KPKJPENVSA-N 399.880 5.016 50 1 GKGF Cc1cc2c(cc1F)[C@](CCCCCl)(c1ccccc1C(F)(F)F)NCC2 962088199 DDXFUCRHGHJCRA-FQEVSTJZSA-N 399.859 5.951 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)c(C)cc(C)c1C)CC2=O 587458880 LVOUVURWDGONCV-HSZRJFAPSA-N 386.919 5.678 50 1 GKGF Cc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587686966 DYYTVURUDDQNLO-QUJCMNEKSA-N 396.731 5.302 50 1 GKGF S=C=N/C=C\CCCCCCCCCCCCCCCCCN=C=S 137924259 NXCSVCJNPPOFGR-VLGSPTGOSA-N 380.667 7.947 50 1 GKGF CNc1cc(Cl)ccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587067364 WGJSJWIIHGXEGG-UHFFFAOYSA-N 383.773 6.582 50 1 GKGF C[C@@H](C(=O)N/N=C/c1c(F)cccc1F)c1ccc(-c2ccccc2)c(F)c1 103198817 ZTLRORCCHKSREO-WOLHVBPDSA-N 382.385 5.025 50 1 GKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(OCC)OCC 210640746 ZLJOGSNKODRXJP-KJKKMCGMSA-N 376.581 6.090 50 1 GKGF COC(C)(C)[C@@H](Br)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586971342 QPYYOOGXTWWKFU-KRWDZBQOSA-N 389.293 5.003 50 1 GKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587497619 JKLPHBPHMGVZNN-PSLXWICFSA-N 397.902 5.012 50 1 GKGF COc1ccc2c(c1)[C@@](c1cc(C)c(C)cc1C)([C@H](C)Cl)N(C(C)C)CC2 962091587 OOEIWZAFJWSROX-CYFREDJKSA-N 385.979 5.758 50 1 GKGF C=C1CC[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 140111332 REKADLCYCOKRRC-DHMWGJHJSA-N 398.610 6.057 50 1 GKGF COc1cccc(-c2c(CCBr)cnc3c2oc2ccccc23)c1 587358169 BFNRXPRESABDGT-UHFFFAOYSA-N 382.257 5.594 50 1 GKGF C=C1CC[C@@H]2[C@](C)(C(=O)O[Si](C)(C)C)CCC[C@]2(C)[C@H]1CC=C(C)CC 2356331963 XDOALGMSEJUNPF-JFJDKTSWSA-N 376.657 6.890 50 1 GKGF CC(C)[C@@H]1CC[C@H]2[C@H](CC[C@H]3[C@](C)(C(=O)OC[C@H](O)CCl)CCC[C@]23C)C1 299838703 QVGFCGABFLCYBJ-GQILSPHMSA-N 399.015 5.424 50 1 GKGF Cc1cc2c(c3oc(CCCCl)cc13)C(=O)c1c(OC(C)C)cccc1C2=O 473081776 DGFZXIRJSLLSLV-UHFFFAOYSA-N 396.870 5.475 50 1 GKGF Fc1cc(Br)ccc1-c1[nH]c2ccc(F)c(Cl)c2c1CCl 587629488 RZLDGICMMYCOOA-UHFFFAOYSA-N 391.042 6.268 50 1 GKGF FC(F)(F)c1ccc2nc(SSc3ccc(Cl)cc3)sc2c1 1772649911 FTQMIUALZUQFDW-UHFFFAOYSA-N 377.865 6.768 50 1 GKGF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(CC#C[C@@H](C)Br)cc1OC2(C)C 27755622 HFQLAXKYDSXFCZ-OIISXLGYSA-N 389.333 5.332 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCCCl)c1ccc(Cl)s1 963237869 HGDWCCPIMRXUPK-FOIQADDNSA-N 382.400 6.321 50 1 GKGF CC1=C(CC[C@@]2(C)[C@@H](C3=CC(=O)OC3)[C@@H]3C=C(C=O)CC[C@H]32)C(C)(C)CCC1 2356803835 XMBWEHWGNKXFRT-YAYWFPAWSA-N 382.544 5.564 50 1 GKGF Cc1ccc(/N=N/C(=N/NC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)cc1 73337348 DKULMVZYSRSXNH-QBRFHGNMSA-N 399.498 5.245 50 1 GKGF Cc1ccc(/C=C/C(=N\NC(=O)c2cccs2)c2ccc(Cl)cc2)cc1 299840725 ZDMISNIHKZAHFI-RQLCIQNHSA-N 380.900 5.557 50 1 GKGF C[C@]1(C=CCl)C[C@](Cl)(CBr)[C@H](Br)C[C@H]1Cl 2356737942 MMMYYEWTEBVZHZ-IMSYWVGJSA-N 399.381 5.282 50 1 GKGF O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-c2nc3ccccc3s2)cc1 299857385 CSKOAAQNLWZMHN-YDZHTSKRSA-N 391.883 5.381 50 1 GKGF CC1(C)[C@@H]2CC[C@@]1(CCl)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O 586986957 WEQOQNSMJWYXDJ-JBEBIEQOSA-N 389.882 5.546 50 1 GKGF CCc1ccc(CC)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499523 UVLZDHRQOCPREL-XMMPIXPASA-N 382.931 5.790 50 1 GKGF COc1ccc(/C(Cl)=C/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 1772635582 HHUDPNOULSUYPW-LWQGVCTKSA-N 376.843 5.398 50 1 GKGF C[C@H](C(=O)O)[C@@H]1CC[C@@](C)(CCC=C2CCC3=C(CCCC3(C)C)C2)OO1 2356539915 FYBDKPKXLFVFLO-ITSWEJNFSA-N 376.537 5.974 50 1 GKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@H]2OO1 2356610695 UYFIHBHPIJKAMI-CLOIUZTFSA-N 398.543 5.723 50 1 GKGF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC#C[C@H](C)Br)cc1OC2(C)C 13557660 HFQLAXKYDSXFCZ-USXIJHARSA-N 389.333 5.332 50 1 GKGF CC(C)=CCC/C(C)=C\C=N/NC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 103219241 QWWLVKGQYTVEPW-MPBZGKQBSA-N 387.871 5.190 50 1 GKGF O=C1C[C@](C2CC2)([C@H](Cl)c2ccccc2F)Oc2c1ccc1c2CCCC1 587500788 CVYLMTKYTFBNOO-PKTZIBPZSA-N 384.878 5.799 50 1 GKGF O=C=Nc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508729 WVDZEIRSQBDFCJ-SANMLTNESA-N 395.458 5.442 50 1 GKGF CC1=CC=C(Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 2356753053 PHHUSFCHCZLGNG-YUELXQCFSA-N 396.594 6.183 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(F)c(C)cc1F)CC2=O 587464832 ARRFJIBGSIZQGD-FQEVSTJZSA-N 380.818 5.031 50 1 GKGF Fc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCl 587623012 WKQIHAFSEOSUBH-UHFFFAOYSA-N 378.632 5.352 50 1 GKGF C[C@](Cl)(C=C[C@@H](Cl)[C@](C)(Cl)C=CBr)CBr 2356628556 XSMHHESOHBEVBV-KXUCPTDWSA-N 399.381 5.449 50 1 GKGF C[C@]12C[C@@](C)(CCCCCCCCCc3ccc(O)cc3)OO[C@H]1CC(=O)O2 44405770 YMCWQAFBJQOYSX-WWNPGLIZSA-N 390.520 5.240 50 1 GKGF CC(C)CCOc1ccc(/C=N/NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1 100489716 PLCAEHTVDPIQCS-SSBARDQISA-N 396.575 5.558 50 1 GKGF Fc1ccc(-c2c(CCl)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587622310 JHMGIYDREZWLRM-UHFFFAOYSA-N 378.632 5.352 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc(F)c(N=C=S)c(Br)c1 587914482 BJOMOBQDAASDPW-UHFFFAOYSA-N 396.668 5.384 50 1 GKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCCCCl)(c2ccc(C)cc2)N1 962945012 INZABXNXZCBSME-YADARESESA-N 380.963 6.053 50 1 GKGF CCC(CC)[C@@]1(CCl)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957504 ORCOVBIPUJRHQC-LJQANCHMSA-N 389.889 5.227 50 1 GKGF COc1ccc(SSC(=S)N2CCC(Cc3ccccc3)CC2)cc1 1857745788 WPKGJPGTAQTMPW-UHFFFAOYSA-N 389.611 5.675 50 1 GKGF CC(C)=CCCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@@H]3CC(=O)C(C)=C[C@@H]3O2)O1 2356545884 RDIQGQNNHFBYRT-NJRQHTIISA-N 396.527 5.170 50 1 GKGF C[C@H](Cl)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570860 MGBVYGKNEPBOPT-MCVWCKRISA-N 398.817 5.016 50 1 GKGF CC(C)=CCC[C@H](C)[C@]1(O)CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(C=O)=CC[C@@H]21 2356646725 NELFJHALXVSFHU-SFJVZLEMSA-N 384.560 5.197 50 1 GKGF C=C1CC[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(Br)[C@@H](Cl)C2 42879003 ZLKDKQRNGQWCDI-DHMWGJHJSA-N 398.610 6.057 50 1 GKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3N)c(CCl)c2c1 587639398 URSLMUKEUPPSRF-LLVKDONJSA-N 391.740 6.432 50 1 GKGF CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c1C 587922493 UERPONAJTSJCQR-MFOYZWKCSA-N 383.467 5.981 50 1 GKGF CC(C)=CCC[C@]1(C)CC(=C(Cl)CN=C(Cl)Cl)C[C@@H](O)[C@@H]1Cl 2356634786 NWMWDIMFPYWPMI-IJEWVQPXSA-N 387.178 5.828 50 1 GKGF C=C1CCC[C@@H]2[C@@](C)(CC[C@@]3(C)CC[C@@H]([C@H](C)C(=O)O)OO3)[C@H](C)CC[C@@]12C 85596829 SQNNYRWDFNZPBJ-WWFRSJGNSA-N 392.580 6.155 50 1 GKGF CC(C)CCC[C@@H](C)CCC[C@H](C)CCCC1=CC[C@H]2C(=O)OC(=O)[C@@H]2C1 43284797 UJZSKNNWYHCFEO-NPDDRXJXSA-N 376.581 6.462 50 1 GKGF CC(C)=CCC[C@H](C)C1=CC[C@]2(C)C[C@H]3[C@@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]12 238772833 YVGINRGIDPTPQF-MLFWYARBSA-N 384.560 5.197 50 1 GKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CC3CC3)nc2c1 587960259 XCTUGSUZGYRPNH-UHFFFAOYSA-N 377.176 5.935 50 1 GKGF CC1=C(C#N)[C@@H](c2cccnc2)C2=C(O)C[C@@H](c3ccc(Cl)cc3)CC2=N1 19762620 HOAKAIQPXAXYJA-HRAATJIYSA-N 375.859 5.460 50 1 GKGF C/C(C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@]1(C)C[C@H](O)CC2(C)C 104365397 CAXVJDRXJFKYQP-UIPMFPBQSA-N 382.544 5.401 50 1 GKGF in-man C=C(c1ccc(C2CCCCC2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 138843718 GIWKSRPOGZASOC-BEFNIZGPSA-N 394.555 6.247 50 1 GKGF in-vivo CC(C)=C1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1=O 196925861 AJPONCSEEGOMLG-FQEVSTJZSA-N 392.615 5.021 50 1 GKGF Cc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587689503 TWQZHORVRFVIQQ-NQCMUKECSA-N 396.731 5.302 50 1 GKGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)C(Cl)Cl 42889191 JPTSHJNSSYTFFZ-KZVLABISSA-N 399.358 5.234 50 1 GKGF C/C(=N/NC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl)c1ccc(C)cc1 103172804 IHAXEPDDKRDSAG-KBBBKPDDSA-N 399.705 5.263 50 1 GKGF Cc1cc(Cl)cc2c(CCl)c(-c3ccc(Br)cc3F)[nH]c12 587624803 SFLORGMFUKNSOY-UHFFFAOYSA-N 387.079 6.437 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)c(C)cc(C)c1C)CC2=O 587458883 LVOUVURWDGONCV-QHCPKHFHSA-N 386.919 5.678 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N=C=S)c2)N1 587847012 VWKZJQPZNQQSHE-VOJFVSQTSA-N 391.309 5.120 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079616 FAHGQMNKVWLTGY-CQSZACIVSA-N 396.768 6.550 50 1 GKGF C[C@H](Cl)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496962 GZDGBEOMRXSEJY-YEJXKQKISA-N 375.295 5.707 50 1 GKGF CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(CSc1ccccc1)c1ccccc1 44053218 WURFGWKURSAVKR-KZKAQZJJSA-N 398.524 5.127 50 1 GKGF O=C(CCl)Nc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102798 YNFFVQHJEKFGBV-UHFFFAOYSA-N 398.849 5.291 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc([C@H](C)CC)cc1)CC2=O 587458644 DPWNCDZUUIDPND-IQMFZBJNSA-N 386.919 5.958 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(F)c(C)cc1F)CC2=O 587464833 ARRFJIBGSIZQGD-HXUWFJFHSA-N 380.818 5.031 50 1 GKGF CC=CC=CCCCCCCCCC[C@]1(OC)C=C[C@H](CC(=O)OC)OO1 2356668946 HVYBFBDAGMLZEH-IFMALSPDSA-N 380.525 5.422 50 1 GKGF Cc1c(CCCBr)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993043 HRDUWBDFWPOSRM-UHFFFAOYSA-N 380.285 5.391 50 1 GKGF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587160908 ICSXAAWLQRGFNK-QWHCGFSZSA-N 378.341 6.631 50 1 GKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccccc2)[C@H]1c1ccc(F)cc1 587326276 JUJOGYWJWOBKMG-JTHBVZDNSA-N 396.845 5.415 50 1 GKGF O=Cc1ccc(OCCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587566316 GOHCMRLZNBKHSV-UHFFFAOYSA-N 392.349 5.654 50 1 GKGF COc1ccc2c(c1)[C@@](c1cc(C)c(C)cc1C)([C@@H](C)Cl)N(C(C)C)CC2 962091593 OOEIWZAFJWSROX-DVECYGJZSA-N 385.979 5.758 50 1 GKGF Fc1ccc([C@@]2(CCCCCl)c3c(F)cccc3C[C@H]3CCCN32)cc1 963108333 LIRVGRLMWMHHRB-KNQAVFIVSA-N 375.890 5.638 50 1 GKGF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CCCCBr)nc2c1 586972561 WTIDIPUXMNBCKA-UHFFFAOYSA-N 389.137 5.318 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O 2356642553 MFDUGTOOXGORRX-FUVZYNQQSA-N 382.544 5.150 50 1 GKGF N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccccc1Cl 587058764 YYYYECVKBKAURR-LBPRGKRZSA-N 397.800 6.116 50 1 GKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Br)CC3)c1 587356823 AFVHKVASAOHWJS-INIZCTEOSA-N 394.268 6.039 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccccc2)N1 587686435 VHTZHWDJMTYVNV-DJJJIMSYSA-N 396.731 5.385 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2cccs2)N1 587849164 RBYNNDXRUYOXBD-QFYYESIMSA-N 388.733 5.056 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586972939 CWCMNRPRNOYVDD-MRVPVSSYSA-N 385.092 5.311 50 1 GKGF C[C@]1([C@H](Cl)c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573328 VXIYUUHCFOZTND-BWAGFHJFSA-N 398.817 5.232 50 1 GKGF CC(C)(C)OC(=O)/C=C/[C@H](CCCCl)Sc1ccc(C(C)(C)C)cc1 169431584 WDAPRWCGZGODPV-CLVCIHKQSA-N 382.997 6.362 50 3 GKGF N#C/C(=C\c1cccc2ccccc12)C(=O)NCc1ccc(Cl)c(Cl)c1 95587123 GOMSHFBBUVMUHY-GZTJUZNOSA-N 381.262 5.370 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(Br)c(N=C=S)c1 587919739 UUJPFCYJOJDMHO-UHFFFAOYSA-N 378.678 5.245 50 1 GKGF Cc1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1C 60237686 GSTZOQQDCFUSOC-UHFFFAOYSA-N 381.479 5.798 50 1 GKGF CC(C)(C)[C@@]1(C(Cl)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324564 RKAIQSVFMHHZEM-OXQOHEQNSA-N 397.273 5.479 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(Cc1c(F)cccc1Cl)CC2=O 587466109 LOWDUFFQFBQOIL-HXUWFJFHSA-N 397.273 5.323 50 1 GKGF CC(=CC(Cl)Cl)[C@H](Br)C=C[C@@](C)(Cl)CBr 2356754010 XYWJXYNATGBZQB-PSASIEDQSA-N 399.381 5.449 50 1 GKGF C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@]23OO4 169371163 AWWQKXVEUVMHGL-APLKYAQBSA-N 392.923 5.279 50 1 GKGF Nc1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1C(=O)O 587248247 JHBHSVHVYZUZDQ-UHFFFAOYSA-N 379.310 5.168 50 1 GKGF CN1CCc2c(Br)cccc2C12CC(O[Si](C)(C)C(C)(C)C)C2 963281669 UPMGYAHGLMNDAW-UHFFFAOYSA-N 396.445 5.317 50 1 GKGF C=C(c1ccc(Oc2cccc3ccccc23)cc1)[C@H]1COC2(CCCC2)OO1 58506814 CEVYANBZEKJDPR-XMMPIXPASA-N 388.463 6.263 50 1 GKGF Cc1cc(C)c(Cl)c(C(=O)N(NC(=O)c2ccc(Cl)cc2)C(C)(C)C)c1 103197644 HSHWVVSKFFDUNQ-UHFFFAOYSA-N 393.314 5.196 50 1 GKGF Cc1cc2c(cc1C)C(Cl)=C(C(=O)N/N=C\c1ccc(Cl)cc1)CCC2 299821522 FRXJVXVOMDGOIG-MSXFZWOLSA-N 387.310 5.393 50 1 GKGF COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(C)cc1 1857622084 RAFNLOOXFJXHOA-UHFFFAOYSA-N 395.462 5.523 50 1 GKGF CC(C)Oc1ccc(C(=C(C#N)c2ccccc2)c2ccc(OC(C)C)cc2)cc1 13650275 ARCVEEHMIKOWCZ-UHFFFAOYSA-N 397.518 6.744 50 1 GKGF NC(=O)Nc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587243277 IDAQJRREXRVXIR-UHFFFAOYSA-N 378.326 5.378 50 1 GKGF CC1(C)CCC[C@]2(C)O[C@]3(/C=C/c4ccc(Cl)c(Cl)c4)C=C[C@@]12OO3 299833067 HIHLKOOBFFWGHL-BABRIHKRSA-N 381.299 5.959 50 1 GKGF CC(C)=CCC[C@]1(C)CC(=C(Cl)CN=C(Cl)Cl)C[C@H](O)[C@@H]1Cl 2356634787 NWMWDIMFPYWPMI-OFQRWUPVSA-N 387.178 5.828 50 1 GKGF C=C[C@]1(C)C[C@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8680138 FIXCMIBUYIDXKH-ISJGIBHGSA-N 387.463 5.459 50 1 GKGF O=C(N/N=C/c1ccccc1Cl)Nc1nc2c(ccc3ccccc32)s1 40409261 ZHJALGUVMCXAFA-SRZZPIQSSA-N 380.860 5.259 50 1 GKGF FC(F)(F)c1cc(C(F)(F)F)c2c(CCCl)c(CCCCl)[nH]c2c1 587626648 UMRAGHTWNYTQAZ-UHFFFAOYSA-N 392.170 6.158 50 1 GKGF Cc1ccc(C)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587689410 SFEMOWLRMAQCTC-BFUOFWGJSA-N 396.731 5.222 50 1 GKGF Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587690029 YTPOGBJJSMOXDD-ORAYPTAESA-N 396.731 5.222 50 1 GKGF C=C[C@](C)(Cl)[C@@H](Cl)C=CC(=CCl)C(Br)Br 2356489252 QCIBPHNBCUZFCG-WPRPVWTQSA-N 397.365 5.572 50 1 GKGF CC(C)OP(=O)(OC(C)C)[C@H]1C(C#N)=C(N)Oc2c1cccc2C(C)(C)C 103250584 UMUHWLODBQPVTL-GOSISDBHSA-N 392.436 5.155 50 1 GKGF N[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C1CC1 587255298 CKLCLHDAWBKIFZ-SECBINFHSA-N 392.191 5.393 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1c(C)[nH]c3ccccc13)([C@H](C)Cl)CC2=O 587459201 NDFLSXOXJQRELU-PSLXWICFSA-N 397.902 5.622 50 1 GKGF C[C@@H](Cl)[C@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507780 STDVJGOYEJOPON-GTJPDFRWSA-N 376.830 5.332 50 1 GKGF COc1ccc2c(c1)[C@](c1cc(C)c(C)cc1C)([C@@H](C)Cl)N(C(C)C)CC2 962091594 OOEIWZAFJWSROX-NTKDMRAZSA-N 385.979 5.758 50 1 GKGF C[C@]1(CCCCCCC=CC=Cc2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2OO1 2356500553 VIBYZHWNCSGZMC-YFNKSVMNSA-N 384.516 5.781 50 1 GKGF CC[C@@H](c1ccc(O)cc1)[C@H](CCI)c1ccc(O)cc1 25967162 KMOUPDMGFJLHJS-ZWKOTPCHSA-N 396.268 5.200 50 1 GKGF Cc1cc(C)c([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587500425 WTINIZVNCVJTCP-OSPHWJPCSA-N 382.931 5.979 50 1 GKGF CSc1ccc(/C=N/NC(=O)Nc2ccccc2Oc2ccccc2)cc1 98085338 PTVPRAJXOXHCHK-PXLXIMEGSA-N 377.469 5.356 50 1 GKGF O=C1[C@@H](Cl)[C@H](c2cc3ccccc3nc2Cl)N1c1ccc(Cl)cc1 103167921 GAJHXQDEJIVBBC-HOTGVXAUSA-N 377.658 5.237 50 1 GKGF O=C1c2ccccc2C(=O)c2c1ccc1nc(SCCCCCCCl)[nH]c21 103264513 QNDSEMNTZJBKLE-UHFFFAOYSA-N 398.915 5.230 50 1 GKGF CC(C)CN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@@H](Br)C(C)C 103279204 GQRVRHLOJSBLJE-OAGJVSPASA-N 386.761 5.300 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 587032227 QSJLQSSBFCUNAC-UHFFFAOYSA-N 382.379 6.022 50 1 GKGF CCOc1n[nH]c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1Cl 587064630 DTIGMHPRMKGYEZ-UHFFFAOYSA-N 388.749 5.663 50 1 GKGF O=C(O)c1cccc2c(CCBr)c(-c3ccc(Cl)cc3)[nH]c12 587636772 IBJRBZBIFLZVKY-UHFFFAOYSA-N 378.653 5.124 50 1 GKGF CCCCCC/C=C/C(=O)CCSSCCC(=O)/C=C/CCCCCC 653869511 BAICCVKLINUDGQ-WXUKJITCSA-N 398.678 7.339 50 1 GKGF O=C1[C@H](Cl)[C@H](c2cc3ccccc3nc2Cl)N1c1cccc(Cl)c1 103167918 ZEUNFJQKUYQQNY-CVEARBPZSA-N 377.658 5.237 50 1 GKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1F 587509568 ZVNUPKCEXODBSN-OAQYLSRUSA-N 393.285 5.766 50 1 GKGF N#CSC[C@@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587532967 QVBKSNBIQYKKHM-RUZDIDTESA-N 399.515 5.794 50 1 GKGF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587950718 CGCUYHBMYLIPET-WQGACYEGSA-N 398.441 7.267 50 1 GKGF Cc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587690030 YTPOGBJJSMOXDD-YJYMSZOUSA-N 396.731 5.222 50 1 GKGF CO[C@@H]1[C@H]2C[C@H](C(C)C)[C@@]3(CC[C@@]4(C)[C@H]([C@H]13)[C@@](C)(O)CC[C@H]4Br)C2 2356530554 FKYQRKFANNKCHE-RLZWPDNTSA-N 399.413 5.024 50 1 GKGF CC1=C(CC[C@]2(C)[C@@H]3CCC(C=O)=C[C@@H]3[C@H]2C2=CC(=O)OC2)C(C)(C)CCC1 2356803832 XMBWEHWGNKXFRT-DPPHCXMASA-N 382.544 5.564 50 1 GKGF CC(=C\Cc1ccccc1)/C=C(\C)C[C@H](C)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@H]2OO1 137593930 UYFIHBHPIJKAMI-DPPVTXMQSA-N 398.543 5.723 50 1 GKGF C=C[C@]1(C)C2=C3c4c([nH]c5cccc(c45)C(C)(C)[C@@H]3C[C@H]1Cl)C(C)(C)C(C)=C2 2356787986 WAHCZMDVXMNQTN-LLFIXNMYSA-N 391.986 7.270 50 1 GKGF C[C@]1(C=CCl)C[C@](Br)(CCl)[C@@H](Br)C[C@@H]1Cl 2356792598 JXBAEGFNZRIVTR-XKNYDFJKSA-N 399.381 5.282 50 1 GKGF C[C@@](Cl)(/C=C/Br)[C@@H](Cl)/C=C/C(=C\Cl)C(Cl)Cl 85857101 WSTOEGOKMOGOKF-CMSFMNOPSA-N 387.359 5.983 50 1 GKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587325882 HJVQYBYIEDCJHW-IFMALSPDSA-N 382.818 5.025 50 1 GKGF [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@](C)([N+]#[C-])CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 145348110 ULUHGZAAPMJKNO-JJAPNAJXSA-N 392.971 5.095 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc2sc(/C=C(/C#N)C(=O)O)cc2s1 587921369 WZULFZPNQUSMGA-GHXNOFRVSA-N 399.880 5.016 50 1 GKGF C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NNC(=O)c3ccncc3)CC[C@H]12 2356744520 NWHPXJRIVOPQQQ-FHILBSSYSA-N 393.575 5.600 50 1 GKGF CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CCl 587500050 YBNCRKSWODWRIO-QHCPKHFHSA-N 384.903 5.584 50 1 GKGF C/C(C=O)=C\C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C 936069916 CAXVJDRXJFKYQP-ULDGFZFLSA-N 382.544 5.401 50 1 GKGF in-vitro CN1CCc2c(Br)cccc2[C@@]1(CCl)CCc1ccccc1 963282841 YPIIGRNJCVGBNP-IBGZPJMESA-N 378.741 5.004 50 1 GKGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](Br)CCCC3 587101203 FBCPCDXVIMLGHL-MRXNPFEDSA-N 378.269 5.609 50 1 GKGF Cc1ccc(N[C@@H](c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1 1646012 PPVZOFNPKLWGOX-AREMUKBSSA-N 397.458 6.120 50 1 GKGF CC[C@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586901469 UOROMHINZNGFBZ-QMMMGPOBSA-N 381.164 5.426 50 1 GKGF C=C(CC[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCCCC2)OO1 43352429 JBOHIZHSWZQRBQ-RPWUZVMVSA-N 394.511 5.731 50 1 GKGF CC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 104076283 VUMNYTGMUHRHJC-GAJHUEQPSA-N 384.435 5.141 50 1 GKGF CC1=CC(=O)[C@@H]2C(C=O)=CC[C@@H]3[C@H]([C@H](C)[C@@H]4C=CC(C)(C)O4)CC[C@@]3(C)C[C@@H]12 2356379268 MVOQGQWZPKEXTB-GNARTNQFSA-N 382.544 5.069 50 1 GKGF CC(=C[C@H](C)[C@@H](Br)C(C)=CC(Cl)Cl)CBr 2356686472 HIBXDBUCJDKGCJ-GZMMTYOYSA-N 378.963 5.477 50 1 GKGF C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(Cl)c2Cl)cc1Cl 100420278 YIJLJNBLLLRYCB-XFXZXTDPSA-N 381.646 5.608 50 1 GKGF C[C@H](C=CC=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 2356476234 FFAHKEMMBZQSGI-JLAGHIMSSA-N 398.631 6.488 50 1 GKGF C=C[C@]1(C)CC[C@H](O)[C@](C)(CC[C@@H]2C(=C)CC[C@@H](Br)C2(C)C)O1 2356787958 BUCNKNNXFZPNMG-VROUVPMXSA-N 385.386 5.397 50 1 GKGF C[C@H](C(=O)O)[C@@H]1CC[C@](C)(CC/C=C2/CCC3=C(CCCC3(C)C)C2)OO1 238778249 FYBDKPKXLFVFLO-WHTQVXSUSA-N 376.537 5.974 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N=C=S)cc2)N1 587847844 YUJNJGPLQAKVMV-ADLMAVQZSA-N 391.309 5.120 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCCCl)c1ccc(Cl)s1 963237878 HGDWCCPIMRXUPK-QRWLVFNGSA-N 382.400 6.321 50 1 GKGF O=C(Oc1c(Cl)cccc1Cl)c1cc2cc(CCl)ccc2oc1=O 13676438 VSHCTWZCEHOSTA-UHFFFAOYSA-N 383.614 5.058 50 1 GKGF C=C(c1ccccc1)[C@H]1CCOC2(CCC(Nc3ccc(F)cc3)CC2)OO1 49881902 MXPFKKIVZHJNQI-OOMBGRCJSA-N 383.463 5.327 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586973264 HCPCLCTZJRZUFJ-MRVPVSSYSA-N 385.092 5.311 50 1 GKGF Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499516 UQXYIUOMKQAKCM-ZAMGYDSWSA-N 399.918 5.201 50 1 GKGF CC(C)(C)[Si](C)(C)OCCCCCCCCCCI 205371803 BYKNNLANZMIZSF-UHFFFAOYSA-N 398.445 6.564 50 1 GKGF N#CSC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532911 QDIORADVEXBYPG-OAQYLSRUSA-N 383.900 5.294 50 1 GKGF Fc1ccc([C@]2(CCCCCl)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963108336 LIRVGRLMWMHHRB-SIKLNZKXSA-N 375.890 5.638 50 1 GKGF CC=CC=CCCCCCCCCC[C@@]1(OC)C=C[C@@H](CC(=O)OC)OO1 2356668949 HVYBFBDAGMLZEH-UNMCSNQZSA-N 380.525 5.422 50 1 GKGF C[C@]1(C=CCl)C[C@](Br)(CCl)[C@H](Br)C[C@H]1Cl 2356792595 JXBAEGFNZRIVTR-IMSYWVGJSA-N 399.381 5.282 50 1 GKGF O=C(CCl)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cs1 587208918 GAMFMUNZKSQXRM-UHFFFAOYSA-N 389.863 5.596 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(C(C)(C)C)cc1)CC2=O 587460708 OWOOJGWIBCWIHK-HSZRJFAPSA-N 386.919 5.742 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1sccc1Cl)CC2=O 587492957 DLOPOTRXYQXVGN-SFHVURJKSA-N 393.917 5.135 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)cc(C)c(C)c1C)CC2=O 587458130 GQHBFOQMCQXBGU-HSZRJFAPSA-N 386.919 5.678 50 1 GKGF COc1ccc(Cl)cc1C#CCc1ccc2ccc(CBr)cc2c1 587898465 KSCCVTRXMPREHB-UHFFFAOYSA-N 399.715 5.991 50 1 GKGF CN(C)c1ccc([C@H]2CC(c3ccc4c(c3)Cc3ccccc3-4)=CC=C2C=O)cc1 40976151 ODGYSLPQFKQRLE-MUUNZHRXSA-N 391.514 6.020 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3nc(CCl)oc13)CC2=O 587462481 ZSPLYGBYAGYPCL-OAQYLSRUSA-N 385.847 5.105 50 1 GKGF CCOC(=O)[C@@]1(CCCCCCCl)NCCc2c(Cl)cc(Cl)cc21 963126991 YNRZMFWSCCAIGM-SFHVURJKSA-N 392.754 5.087 50 1 GKGF Oc1ccc(C2=C(c3ccc(CBr)cc3)c3ccc(O)cc3C2)cc1 13673485 DSVUWLXFXMLTDM-UHFFFAOYSA-N 393.280 5.508 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586972955 DBPKDMIUWCIXAL-VIFPVBQESA-N 384.104 5.916 50 1 GKGF C[C@]1(c2cccc(CCl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327022 ODUQXVAFORBLGO-FYYLOGMGSA-N 396.845 5.544 50 1 GKGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CBr)c(F)c1)CC2=O 587468015 WDDIDJJFNSXSSQ-GOSISDBHSA-N 393.252 5.085 50 1 GKGF CCCCCCCC/C=C\CCCCOC(=O)CC(=O)CBr 36079957 YMKIERTYDNQXGN-KTKRTIGZSA-N 375.347 5.361 50 1 GKGF COc1ccc(C[S@@](=O)C/C=C/SSCc2ccc(F)cc2)cc1 73199599 DLONVWQFLJKGHU-SNTFBNCVSA-N 382.547 5.178 50 1 GKGF COC(=O)[C@@H](Cl)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587358958 VTVSBFBSVYTJEH-SFHVURJKSA-N 395.842 5.418 50 1 GKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(C2)c2c(F)cccc2C[C@H]2CCCN21 963117317 YUOPCNHUQCKDLE-XJGBBZTQSA-N 392.356 5.263 50 1 GKGF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587168643 KCVTZJBFFKRPLO-VIFPVBQESA-N 382.329 6.499 50 1 GKGF Cc1cccc([C@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500935 VQPXXWOCGYYFQE-IVZQSRNASA-N 399.328 5.518 50 1 GKGF CC=C(C)C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@@H]21)[C@H](C)[C@@]45C 2356433357 HSAIBHCFNQHMCX-MSSUAYMGSA-N 396.571 5.847 50 1 GKGF C[C@@H](C=CC=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356629012 OMTDEDXAIWMZOG-BBHAVQQDSA-N 396.615 6.386 50 1 GKGF CC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@H](c3ccccc3)CC2=N1 104076277 VUMNYTGMUHRHJC-UZUQRXQVSA-N 384.435 5.141 50 1 GKGF C[C@@]1(c2ccc(CCBr)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498879 JQQNKOHZVVPNBS-QFIPXVFZSA-N 399.328 5.383 50 1 GKGF N#CSC[C@]1(c2sccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587532760 SNQLLHDEZDZNEC-IBGZPJMESA-N 389.929 5.355 50 1 GKGF CC[C@@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587956563 SWBKOPCDICAYEZ-ZCFIWIBFSA-N 379.192 6.496 50 1 GKGF C[C@](Cl)(/C=C/[C@H](Cl)[C@](C)(Cl)/C=C/Br)CBr 85952114 XSMHHESOHBEVBV-ULZRVHDFSA-N 399.381 5.449 50 1 GKGF CC1=NC(C)=C(C#N)[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)[C@H]1C#N 136488312 JVPROQBJNYSUDC-UWJYYQICSA-N 383.480 5.096 50 1 GKGF Cc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587500082 QDUJTQRJCRKAKD-QFIPXVFZSA-N 399.328 5.438 50 1 GKGF CCCCCC[P+](Cc1ccccc1O)(c1ccccc1)c1ccccc1 1911573868 PQKRAQIDTXUPAS-UHFFFAOYSA-O 377.488 6.141 50 1 GKGF CC(C)c1ccc(/C=N/NC(=O)c2nc3ccccc3nc2-c2ccccc2)cc1 40913903 AVDYHXYAZPXNNC-WGOQTCKBSA-N 394.478 5.184 50 1 GKGF O=C1C[C@@](CCCl)(c2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 587507847 UKEBQYGWEAMIIF-NRFANRHFSA-N 376.830 5.333 50 1 GKGF CCc1ccc(NCc2ccc(C3OOC(c4ccc(C)cc4)OO3)cc2)cc1 72174708 NFBZWWSXMOAERN-UHFFFAOYSA-N 391.467 5.777 50 1 GKGF CC(C)(C)c1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)cc1 103182231 JDCPUULEWGMMGW-UHFFFAOYSA-N 386.923 5.223 50 1 GKGF C/C(=C\C=C\CCC/C=C/c1ccccc1)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 137275778 CPCDZHAAYWQQMM-BFTVFCNYSA-N 396.527 5.948 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(S(F)(F)(F)(F)F)c1)O2 587386003 HGVDJHUZIHESLD-HNNXBMFYSA-N 379.350 5.941 50 1 GKGF C[C@H](Cl)[C@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587686284 CDXFSDMPPYKWGX-NQCMUKECSA-N 396.731 5.188 50 1 GKGF C[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501015 VYMGZDIBOFCLAI-LHSJRXKWSA-N 385.301 5.210 50 1 GKGF N#CC(=C1C=C(Br)C(=NO)C=C1Cl)c1cccc2ccccc12 1857623331 BJDKZONPNOGIEO-UHFFFAOYSA-N 385.648 5.362 50 1 GKGF CCCCCc1c(CBr)[nH]c2c1c(Br)cc1n[nH]cc12 587621145 PTFFXAMQIXVYKZ-UHFFFAOYSA-N 399.130 5.434 50 1 GKGF C=CCCCC[P+](Cc1ccccc1O)(c1ccccc1)c1ccccc1 1911571719 RNDKHILPXKDUGA-UHFFFAOYSA-O 375.472 5.917 50 1 GKGF CC1=CC(=O)[C@@H]2C(C=O)=CC[C@@H]3[C@H]([C@H](C)C=C[C@@H]4OC4(C)C)CC[C@@]3(C)C[C@@H]12 2356608785 HPDVXTMBSBRHFZ-RKDSRRNESA-N 382.544 5.069 50 1 GKGF C=CCCCCC=CC#C[C@@H](CCCCCCC(=O)OC)O[Si](C)(C)C 2356630574 WQIGSLWIITXDKA-NRFANRHFSA-N 378.629 6.026 50 1 GKGF Fc1ccc([C@]23CC[C@H]4CCCC[C@@]4(OO2)[C@H](OCc2ccccc2)O3)cc1 43362230 MBYLTSRIBPTUBN-QQUTXWOLSA-N 384.447 5.223 50 1 GKGF Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587687120 FLUURYFNMYWFBN-BFUOFWGJSA-N 396.731 5.222 50 1 GKGF Cc1c(C)c(C)c([C@]2(CCl)c3c(F)cccc3C[C@@H]3CCCN32)c(C)c1C 963103826 ODVRZRJSUYLPOF-GBXCKJPGSA-N 385.954 5.871 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(N=C=S)c(OC(F)(F)F)c1 587914532 IMAMWPRJSDFJTI-UHFFFAOYSA-N 383.778 5.381 50 1 GKGF C[C@H](c1ccccc1)N(Cc1ccccc1)C1=NC[C@@H](CBr)S1 82052539 UYIKHUDEUBDELO-CRAIPNDOSA-N 389.362 5.116 50 1 GKGF CN(/N=C/c1cccc2cnccc12)C(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 95573899 NDYHSLXSFZFYCJ-NONDXZSFSA-N 385.511 5.128 50 1 GKGF Cc1ccc2c(ccc3nc([C@H](C)c4ccc(CBr)cc4)[nH]c32)n1 586974232 SYTWXBKXVWWJJF-CYBMUJFWSA-N 380.289 5.466 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)-c1ccccc1C3)O2 587372683 MSPKVCZSIBBWRB-XMMPIXPASA-N 389.882 5.248 50 1 GKGF COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587420229 HDAHCOGGFKRLCP-DJJJIMSYSA-N 397.685 5.274 50 1 GKGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(CCCCl)c1ccc(F)c(F)c1 963087504 CSVYMQIULHVVMW-UWJYYQICSA-N 379.853 5.387 50 1 GKGF C[C@H](CCCCCCCCc1ccccc1)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 2356665269 ZYFCXJKANKAQQT-QDSKXPNFSA-N 390.564 6.330 50 1 GKGF CC(C)=CCC[C@H](C)[C@]1(O)CC[C@@]2(C)[C@H](C1)[C@](C)(O)CC[C@H]2Br 2356800978 QJBOZPLEQLTYDL-GXUNQHPWSA-N 387.402 5.215 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cccc(C(F)(F)F)c1)CC2=O 587464187 KTXZMSVAGWMPKI-LJQANCHMSA-N 398.808 5.463 50 1 GKGF Cc1ccc(C(=NNC(=O)c2cc3ccccc3cc2O)c2ccccc2)cc1 2356316701 IWRXLIXAGHGUSC-UHFFFAOYSA-N 380.447 5.036 50 1 GKGF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC1=CC[C@@H]2C(=O)OC(=O)[C@@H]2C1 169330660 UJZSKNNWYHCFEO-KRXUUXHPSA-N 376.581 6.462 50 1 GKGF COc1cc2c3c(c1)O[C@]1(CCCCCCCCCC[C@@H]1Cl)[C@@H](C2)C3=O 587423405 XXLSMDTUAIXPJG-LQBOVUBWSA-N 376.924 5.703 50 1 GKGF O=C1[C@@H](Cl)[C@@H](c2ccccc2Cl)N1Nc1ccnc2cc(Cl)ccc12 1772644310 JOHKPXOETBUGSL-DLBZAZTESA-N 392.673 5.059 50 1 GKGF C[C@](Cl)(C=C[C@H](Cl)[C@@](C)(Cl)C=CBr)CBr 2356628555 XSMHHESOHBEVBV-GUBZILKMSA-N 399.381 5.449 50 1 GKGF Cc1[nH]c2ccccc2c1[C@]1([C@@H](C)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587500286 ZUVHVLFODZOGTE-OYLFLEFRSA-N 393.914 5.843 50 1 GKGF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCCCBr)cc1OC2(C)C 66075758 WUHQTFATTHTTJQ-IAGOWNOFSA-N 393.365 6.111 50 1 GKGF Fc1cc(Cl)ccc1C[C@@H](Br)c1cc2c3c(cccc3n1)CC2 587210250 LFEJTXDDITXANP-OAHLLOKOSA-N 390.683 5.805 50 1 GKGF Fc1ccc2[nH]c(-c3ccc(Br)cc3)c(CCCl)c2c1Cl 587628357 LVHUTMZHEQXSAA-UHFFFAOYSA-N 387.079 6.171 50 1 GKGF C[C@]1(c2ccc(N=C=S)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611954 HWFVXURHBYNOHH-SIKLNZKXSA-N 389.432 5.004 50 1 GKGF C[C@H](Cl)[C@@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587686289 CDXFSDMPPYKWGX-QHRIQVFBSA-N 396.731 5.188 50 1 GKGF C/C(O[Si](C(C)C)(C(C)C)C(C)C)=C(\C)C(=O)N(C)c1ccccc1Cl 195452676 NBRZXKKEZXCTEK-ZCXUNETKSA-N 396.047 6.789 50 1 GKGF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)C2 586884739 IPOGISZQFOUOGC-GARJFASQSA-N 378.366 5.859 50 1 GKGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(-c3cccc(Br)c3)c2c1 587637885 AZEUIUQJBBLWEM-GFCCVEGCSA-N 376.725 6.850 50 1 GKGF CSc1nc(Nc2ccccc2)c2ccn(C[C@H](Cl)c3ccccc3)c2n1 1772578215 FJQQPDTVQFJFJW-SFHVURJKSA-N 394.931 5.877 50 1 GKGF N#CSC[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532909 QDIORADVEXBYPG-NRFANRHFSA-N 383.900 5.294 50 1 GKGF CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3ccc(SC)cc3)cs2)c1C 587924630 GQGRYVZOWLVLPY-UNOMPAQXSA-N 393.581 6.425 50 1 GKGF CC1=CC(=O)[C@@H]2C(C=O)=CC[C@@H]3[C@H]([C@H](C)C=C[C@@H]4OC4(C)C)CC[C@@]3(C)C[C@H]12 2356608784 HPDVXTMBSBRHFZ-PLUPJUDLSA-N 382.544 5.069 50 1 GKGF C/C(=N\NC(=O)c1cc(C(C)C)cc(C(C)C)c1O)c1cc2ccccc2[nH]1 95564082 WQFLOHYDAJUPJF-MFKUBSTISA-N 377.488 5.274 50 1 GKGF O=C1c2ccc(O)cc2O[C@](CCl)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 587328575 VCGLNLFYABHXIU-IFMALSPDSA-N 388.866 5.448 50 1 GKGF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1CC[C@@H]2Br 587495466 DGYGASCQBGXOTO-RBBKRZOGSA-N 397.312 5.136 50 1 GKGF Cc1ccc(C(=O)/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587966796 XSIBJYQRNFBJJF-CMDGGOBGSA-N 388.361 6.425 50 1 GKGF C[C@H](C=CC=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@@]21C 2356365341 KLMBCSCMLLUEQQ-MXAGHPFKSA-N 384.604 5.788 50 1 GKGF C=CC(=O)Nc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587243389 FHZZEJLXHPZFIG-UHFFFAOYSA-N 389.349 6.012 50 1 GKGF C[C@]1(c2cccc(CCl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327025 ODUQXVAFORBLGO-JTHBVZDNSA-N 396.845 5.544 50 1 GKGF C[C@]1([C@H](Cl)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545300 QOJNLRGKAABFSZ-QIJUGHKUSA-N 380.827 5.093 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(CCl)c2)N1 587683393 GSTAOMFYIYAGPB-ZMZPIMSZSA-N 382.704 5.125 50 1 GKGF FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587087072 ASISGKNYFFVKJN-MRVPVSSYSA-N 389.340 5.970 50 1 GKGF O=C1C[C@@H](c2ccc(F)c(CBr)c2)Oc2c1ccc1c2CCCC1 587503483 HCVLIBUFWDWUPF-IBGZPJMESA-N 389.264 5.306 50 1 GKGF O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1cc2ccccc2cc1O 13442489 GXPJUECSGUAVGH-ZMOGYAJESA-N 390.826 5.223 50 1 GKGF C/C=C/C=C/CCCCCCCCC[C@]1(OC)C=C[C@@H](CC(=O)OC)OO1 137660801 HVYBFBDAGMLZEH-ILKJFFFISA-N 380.525 5.422 50 1 GKGF N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccccc1Cl 587058761 YYYYECVKBKAURR-GFCCVEGCSA-N 397.800 6.116 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(CCCl)cc2)N1 587681807 AYCDFXXHWVQQJQ-HXPMCKFVSA-N 396.731 5.167 50 1 GKGF Cc1cc(C)c(/C=N/NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)c(C)c1 103198737 PDPPRHSZXQAHOH-PYNCTGKJSA-N 388.486 5.672 50 1 GKGF CC(C=O)=CCCC(C)=CCC[C@]1(C)C=Cc2c(c3ccccc3oc2=O)O1 2356673566 PIQNDZNEMYTFJC-XMMPIXPASA-N 378.468 5.609 50 1 GKGF C/C(=C\CBr)CC[C@H](Br)C(C)(C)Br 73315156 PXKOESLWITWTLF-ORZBULNSSA-N 376.958 5.045 50 1 GKGF C[C@H](/C=C/C=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 255254831 OMTDEDXAIWMZOG-DVEUKVNCSA-N 396.615 6.386 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(CCC(C)C)c1C)O2 587372947 OEEOMLVDQUYLNW-QFIPXVFZSA-N 388.939 5.141 50 1 GKGF CC(C)c1ccc([C@]2(CCl)c3ccsc3CCN2Cc2cccnc2)cc1 962989926 AXQNZOBWUBYGTF-HSZRJFAPSA-N 396.987 5.807 50 1 GKGF C=C(CC[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCCC2)OO1 43356604 NTQUAEOCUORVMR-PKTZIBPZSA-N 380.484 5.341 50 1 GKGF O=C(N/N=C/c1cccc2cnccc12)[C@H]1C[C@H]1c1ccc(-c2ccccc2)cc1 95576480 ZDAVKLKMQSLIKR-ZAMRSKJBSA-N 391.474 5.156 50 1 GKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccccc1 587543461 KPLNHXBTKRYKCA-NFBKMPQASA-N 394.854 5.268 50 1 GKGF CCCCCCCCCCCCCCCC1=C(CCC(=O)O)C(=O)OC1=O 36160242 YQVBLGRCRJBAGX-UHFFFAOYSA-N 380.525 5.713 50 1 GKGF O=C(N/N=C/c1cccc2ccccc12)c1coc2c(Cl)cc(Cl)cc12 73389274 ODIRDZYMBLGCLQ-AUEPDCJTSA-N 383.234 5.657 50 1 GKGF COc1cc2c3c(c1)O[C@@]1(CCCCCCCCCC[C@@H]1Cl)[C@@H](C2)C3=O 587423399 XXLSMDTUAIXPJG-JLMWRMLUSA-N 376.924 5.703 50 1 GKGF COc1ccc(C=O)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587787285 MXUZGMZJPNDLSG-UHFFFAOYSA-N 378.322 5.708 50 1 GKGF FC(F)(F)c1ccccc1C1OOC(c2ccccc2C(F)(F)F)OO1 38158853 OUFFYSVTDOEUGO-UHFFFAOYSA-N 380.240 5.332 50 1 GKGF C=C[C@]1(C)CC[C@H](O)[C@](C)(CC[C@H]2C(=C)CC[C@@H](Br)C2(C)C)O1 2356787955 BUCNKNNXFZPNMG-NDLGOLERSA-N 385.386 5.397 50 1 GKGF CCc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C(C)(C)C)C[C@@H]32)cc1 13136675 GFIZBGUBQNMXKW-CNNODRBYSA-N 384.527 5.115 50 1 GKGF Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc(C(C)(C)C)cc2)C(C)(C)C)c1 103183586 FIROFKZRSPJKLT-UHFFFAOYSA-N 380.532 5.187 50 1 GKGF COc1cc(Cl)ccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587065958 AOLYLIAXTGPCGC-UHFFFAOYSA-N 384.757 6.549 50 1 GKGF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc(CBr)c1)CC2=O 587469122 WKGSICDVUXWNJB-SFHVURJKSA-N 393.252 5.085 50 1 GKGF CC(C)(C)N(NC(=O)c1cc(Cl)ccc1Cl)C(=O)c1ccccc1Cl 653875508 BTNDHCAGISNXQN-UHFFFAOYSA-N 399.705 5.233 50 1 GKGF COC(=O)C[C@]1(C)C[C@](C)(C[C@@H](C)C=CC[C@@H](C)C=Cc2ccccc2)OO1 2356312981 PEOWGKDHNJAAEI-CDPNLFKUSA-N 386.532 5.741 50 1 GKGF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1)CC 2356382825 PAXJPQSBALSCDZ-VXPBHUBDSA-N 380.569 6.164 50 1 GKGF CC(=CCCC(C=O)=CC=CC1=CC(=O)O[C@H]1O)CCC1=C(C)CCCC1(C)C 2356464797 CNZFPEKVGJSRBD-XMMPIXPASA-N 398.543 5.503 50 1 GKGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@]2(/C=C\c1ccccc1)c1ccccc1 299807201 IWLDRSHCOSMYIA-KPCFJHESSA-N 378.468 5.048 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586882890 CPKHOFBYFODFGE-BTIUKSQHSA-N 378.410 6.688 50 1 GKGF Cc1ccc(C2OOC(c3ccc(CNc4cccc(F)c4)cc3)OO2)cc1 72174926 ALLBKZOZRCFFHT-UHFFFAOYSA-N 381.403 5.354 50 1 GKGF C[C@@H](Cl)C(=O)Nc1c(-c2cc3c4c(cccc4n2)CC3)oc2ccccc12 587209681 VYRGUUHTNDSUNP-GFCCVEGCSA-N 376.843 5.312 50 1 GKGF COC(=O)C[C@]1(C)C[C@](C)(C[C@H](C)CCCCCCc2ccccc2)OO1 85666478 RYNXSVDLWWRGRW-WTIAFYNJSA-N 376.537 5.638 50 1 GKGF biogenic C=C[C@](C)(O)CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]21C 140420590 ZOMPGFXUEOKUFB-BAIJGVNGSA-N 387.402 5.071 50 1 GKGF Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325281 DEZPZMXSPQPBBN-JTHBVZDNSA-N 396.845 5.333 50 1 GKGF Oc1ccc2c(c1)[C@@](CCCCCCCl)(c1ccc(Cl)nc1)NCC2 963353537 SDFYZESBQNQKOP-HXUWFJFHSA-N 379.331 5.019 50 1 GKGF C/C(=C\[C@@H](C)[C@H](Br)/C(C)=C/C(Cl)Cl)CBr 95914458 HIBXDBUCJDKGCJ-HGVBQDQFSA-N 378.963 5.477 50 1 GKGF biogenic,in-vitro CC(=O)SS[C@]1(Cl)C(C)(C)[C@@](Cl)(SSC(C)=O)C1(C)C 254144245 JHUZEBDVAAMKGA-HAQNSBGRSA-N 393.448 5.778 50 1 GKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Cl)CCCC3)c1 587360505 PDEITUFAGXBNPI-SFHVURJKSA-N 377.871 6.663 50 1 GKGF O=C1C[C@](CBr)(CCC2CCCC2)Oc2c1ccc1c2CCCC1 587498468 HNKJJNXSPPOQLX-NRFANRHFSA-N 391.349 5.635 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(Cl)Cl)(C(C)(C)C)N1 587686051 BUKBSGBEZNCXNT-GLEZIHRCSA-N 383.132 5.168 50 1 GKGF CCCC[C@@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 1772626068 MWEKRKHBRJMOBG-GXRSIYKFSA-N 394.983 6.436 50 1 GKGF C=C(CC[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCCCC2)OO1 43352435 JBOHIZHSWZQRBQ-DNQXCXABSA-N 394.511 5.731 50 1 GKGF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCCCl 169330871 QPBVZTQMIRREQE-AVHBIOJASA-N 380.016 6.877 50 1 GKGF COc1cc2c3c(c1)O[C@H](c1ccc(S(F)(F)(F)(F)F)cc1)[C@@H](C2)C3=O 587428353 NWOZIEAPPVZULB-SUMWQHHRSA-N 392.345 5.841 50 1 GKGF CC(=C[C@@H](C)[C@@H](Br)C(C)=CC(Cl)Cl)CBr 2356686475 HIBXDBUCJDKGCJ-LDYMZIIASA-N 378.963 5.477 50 1 GKGF C[C@H](CCC=CCCC=Cc1ccccc1)C[C@]1(C)C[C@]2(C)OC(=O)C[C@H]2OO1 2356731535 PSBVOOFDCUCSOT-ZUUNWQIRSA-N 398.543 6.027 50 1 GKGF CC[C@H](c1ccc(O)cc1)[C@H](CCOCCOCCCl)c1ccc(O)cc1 29398163 LDIXMJIPFXONFJ-FGZHOGPDSA-N 392.923 5.037 50 1 GKGF C[C@@H](Cl)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587500147 YQYJOFXDMQXTOZ-FATZIPQQSA-N 379.887 5.535 50 1 GKGF CC(C)c1ccc([C@@]2(CCCCl)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963100562 BPSCZLZDKHJDCD-URXFXBBRSA-N 385.954 6.232 50 1 GKGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(CSc1ccccc1)c1ccccc1 43531636 WURFGWKURSAVKR-UDIDDNNKSA-N 398.524 5.127 50 1 GKGF O=C(CCCC[C@@H]1CCSS1)OC1CCN(CC2CCCCC2)CC1 95585477 DYUJVAJDHIDLLE-LJQANCHMSA-N 385.639 5.288 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(C(C)C)c1C)CC2=O 587459917 QPNMDLLWWKMCQL-JOCHJYFZSA-N 389.923 5.443 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@@H](C)Br)CC2=O 587492945 DGBDNCMLGRQHLF-ZMZPIMSZSA-N 395.318 5.050 50 1 GKGF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)cc3)c(CCBr)c12 587644176 OXLXLWJHZUXIST-UHFFFAOYSA-N 379.641 5.334 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(CCCCBr)[nH]c2c1 586972105 GOLPVEYJDZMHFP-UHFFFAOYSA-N 379.192 5.938 50 1 GKGF O=C1c2ccccc2-c2cc(-c3ccc(CCCl)cc3)nc3ccc(O)c1c23 586986768 ULBMDOZUZSNCDK-UHFFFAOYSA-N 385.850 5.600 50 1 GKGF CC(C)(F)[C@@H](Br)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587087867 XKUQTUFEZHCRTF-HNNXBMFYSA-N 379.298 5.898 50 1 GKGF CC(C)(F)[C@H](Br)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587087868 XKUQTUFEZHCRTF-OAHLLOKOSA-N 379.298 5.898 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(CC)ccc1CC)CC2=O 587458486 JQMQUJZDLCGPFV-QHCPKHFHSA-N 386.919 5.569 50 1 GKGF Cc1cc(Cl)cc2c(CCl)c(-c3ccc(Br)cc3N)[nH]c12 587623751 OJEZSVVLTCARMC-UHFFFAOYSA-N 384.104 5.880 50 1 GKGF CCCOc1cccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587778493 LIZZPGYBNVTTDA-UHFFFAOYSA-N 392.393 6.600 50 1 GKGF C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)NCCc2c(Cl)cc(Cl)cc21 963121441 LLUVPYQWSDLFEX-YEJXKQKISA-N 396.789 6.308 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CBr)c1ccc2occc2c1 963260132 WEBHOWOYXAETJA-AOMKIAJQSA-N 398.344 5.728 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CBr)c1c(F)cccc1F 963234024 DXLUAJYLRWKDTP-XOBRGWDASA-N 394.303 5.260 50 1 GKGF CN(/N=C/c1cccc2cnccc12)C(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 95573900 NDYHSLXSFZFYCJ-GSTCZNPNSA-N 385.511 5.128 50 1 GKGF CC1=CC[C@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 105467438 ZPXHDWNADVHCRP-JURCDPSOSA-N 398.610 6.057 50 1 GKGF CC(C)[C@H](N)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587258645 HUKDECRLUSZQCI-VIFPVBQESA-N 394.207 5.639 50 1 GKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@@H](O)CC1(C)C 2356568210 HQPQTQQUHPFUOA-RUZDIDTESA-N 392.583 6.746 50 1 GKGF C[C@H](CCC=CCCC=Cc1ccccc1)C[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 2356594193 LTMUKXRJUSZQFQ-FGCOXFRFSA-N 386.532 6.187 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587033937 ADZRVPNDXNJVNI-CYBMUJFWSA-N 396.406 6.138 50 1 GKGF Cn1cccc1CN1CCc2sccc2[C@]12[C@@H](Cl)CCCCC[C@H]2Cl 962375044 RIWRLIDEIWGBJZ-PMOLBWCYSA-N 397.415 5.519 50 1 GKGF C=C[C@](C)(Cl)[C@H](Cl)C=CC(=CCl)C(Br)Br 2356489250 QCIBPHNBCUZFCG-SCZZXKLOSA-N 397.365 5.572 50 1 GKGF O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1ccc(/C=C/CCCCl)cc12 95568886 CYCYYTBHXHNYDQ-LPUSUZEYSA-N 395.930 6.290 50 1 GKGF Fc1ccc2[nH]cc(Cc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2c1 587175669 XNAGNVYQYHHNHY-UHFFFAOYSA-N 391.340 6.432 50 1 GKGF Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587688235 JVNWSMBQSDRUTO-BFUOFWGJSA-N 396.731 5.222 50 1 GKGF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC1=CC[C@H]2C(=O)OC(=O)[C@@H]2C1 43284791 UJZSKNNWYHCFEO-UGESXGAOSA-N 376.581 6.462 50 1 GKGF CCc1nc2nc(C)cc(Nc3ccc(S(F)(F)(F)(F)F)cc3)n2n1 73315474 CEZYGDRWJZTHFD-UHFFFAOYSA-N 379.358 5.396 50 1 GKGF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1CCl 587103914 NAFZHPYJMLNEKV-UHFFFAOYSA-N 385.850 5.861 50 1 GKGF Cc1ccc(/C=C(/C#N)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 587187569 IRKCXSXOHMFUEK-PDGQHHTCSA-N 392.487 6.212 50 1 GKGF Oc1c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc2c1CCCC2 586898622 QLYHTJUAJOJBPC-UHFFFAOYSA-N 390.377 6.472 50 1 GKGF BrCCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586971963 AYMLWNYMXVDXRI-UHFFFAOYSA-N 386.318 5.557 50 1 GKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356610698 UYFIHBHPIJKAMI-MMTHZHQFSA-N 398.543 5.723 50 1 GKGF CC(=C[C@@H](C)[C@H](Br)C(C)=CC(Cl)Cl)CBr 2356686473 HIBXDBUCJDKGCJ-KCJUWKMLSA-N 378.963 5.477 50 1 GKGF CN(CCO)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587193112 SLSOPRZBTVCDCT-UHFFFAOYSA-N 393.381 5.316 50 1 GKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@](C)(CCl)CC3)c1 587356934 CKBYWMCYFFUYAN-HSZRJFAPSA-N 377.871 6.099 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(N=C=O)cc1)CC2=O 587471121 ZPRZDGRDEZHIOS-VWLOTQADSA-N 399.446 5.221 50 1 GKGF CC(=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@@H]3CC(=O)C(C)=C[C@@H]3O2)O1)CC=CC(C)C 2356405784 DXVXAEIEQRNUAO-NJRQHTIISA-N 396.527 5.026 50 1 GKGF CC1=C[C@]2(C=C(C=O)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(\C)C/C=C/C(C)C)C1 238786797 DXVXAEIEQRNUAO-FPFTWBFTSA-N 396.527 5.026 50 1 GKGF C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@H](O)C(=C)C 473128386 ZKJKEZGUTNHGBT-CXQPBAHBSA-N 385.386 5.157 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 586917373 CSTBUGBZYDKGEO-AWEZNQCLSA-N 378.322 5.733 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(S(F)(F)(F)(F)F)c1)O2 587387242 OXTHXBROVXJKPP-KRWDZBQOSA-N 393.377 6.115 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)CBr)cc1 587912909 QZKJEZUDDSVFRV-UHFFFAOYSA-N 385.635 5.235 50 1 GKGF O=C(CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(F)cc1 587163655 UAMBWXARFNXLRI-UHFFFAOYSA-N 394.340 6.175 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(C(Cl)Cl)CC2=O 587458536 KRUBTHSOTYHOJJ-LJQANCHMSA-N 399.701 5.663 50 1 GKGF COc1cc2c3c(c1)O[C@](CCl)(CC14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O 587417574 OACVDOPOYUQOKU-KFZWSAGZSA-N 386.919 5.027 50 1 GKGF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)cc1CBr)CC2=O 587465071 AAVBUUSGYHHEEE-SFHVURJKSA-N 393.252 5.085 50 1 GKGF CCN(CC)CCOc1ccc(C(C#N)=C(c2ccccc2)c2ccccc2)cc1 1691533 HWWQKPDKRFBTFI-UHFFFAOYSA-N 396.534 5.890 50 1 GKGF CCC(CC)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324694 STRISHSNGNMWKJ-PZJWPPBQSA-N 376.855 5.304 50 1 GKGF C[C@@H](Cl)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496961 GZDGBEOMRXSEJY-LRTDBIEQSA-N 375.295 5.707 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)([C@@H](C)Cl)N1 587686290 CDXFSDMPPYKWGX-VLXJIEOASA-N 396.731 5.188 50 1 GKGF Fc1ccc2c(c1)Sc1cccnc1N2CCCCCCBr 653718343 IFAGYHCIZJMCPQ-UHFFFAOYSA-N 381.314 5.779 50 1 GKGF C[C@]1(CCCCCCC=CC=Cc2ccccc2)C[C@]2(C)OC(=O)C[C@@H]2OO1 2356500550 VIBYZHWNCSGZMC-XWGVYQGASA-N 384.516 5.781 50 1 GKGF CC1=C[C@H]2c3c(O)cc(CCCCBr)cc3OC(C)(C)[C@@H]2CC1 66075070 CJMRKPVKRCLPDV-HZPDHXFCSA-N 379.338 5.721 50 1 GKGF CCCCCC[C@@]1(CBr)CC(=O)c2ccc(O)c(CCC)c2O1 587455523 CNSSRNMBTJOTME-IBGZPJMESA-N 383.326 5.414 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)c1ccc2c(c1)C(C)(C)C(=O)N2 963230253 PCSOKJCXUZPVEP-FYSMJZIKSA-N 396.962 5.055 50 1 GKGF C[C@](Cl)(C=CBr)[C@@H](Cl)C=CC(=CCl)C(Cl)Cl 2356588484 WSTOEGOKMOGOKF-WPRPVWTQSA-N 387.359 5.983 50 1 GKGF COc1ccc(NCc2ccc(C3OOC(c4ccc(C)cc4)OO3)cc2)cc1 72175088 ARBCLMGLLOTIHB-UHFFFAOYSA-N 393.439 5.223 50 1 GKGF CCCN(C(=O)/C(C#N)=C(/C)O)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 169321536 AIOAWXIKHPXPDN-VKAVYKQESA-N 383.517 5.206 50 1 GKGF CN(Cc1ccccc1)C(=S)SSC(=S)N(C)Cc1ccccc1 45256985 KUGIBRKWSLMLGG-UHFFFAOYSA-N 392.640 5.202 50 1 GKGF O=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@@H](CCl)c2c1ccc1[nH]ccc21 96913714 VZPWDHJYPPDQTA-GFCCVEGCSA-N 384.266 5.285 50 1 GKGF C[C@@H]1CC[C@@H]2CCO[C@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@]32OO4 195289918 AWWQKXVEUVMHGL-PMAFLXKPSA-N 392.923 5.279 50 1 GKGF C/C=C/[C@@H](C/C=C(\C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 195517184 NCUBKCSLYCLMJM-SRHRTPPQSA-N 384.753 7.311 50 1 GKGF C[C@]1(CCCCCCC=CC=Cc2ccccc2)C[C@]2(C)OC(=O)C[C@H]2OO1 2356500547 VIBYZHWNCSGZMC-NHTMILBNSA-N 384.516 5.781 50 1 GKGF CC(C)(C)c1ccc(-c2cnc(N)nc2)c(F)c1O[Si](C)(C)C(C)(C)C 224552570 FRCWQJRRRIIVPF-UHFFFAOYSA-N 375.564 5.546 50 1 GKGF Cc1c(Br)cc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1C 587086708 GXTLWKSKGDYQEK-LLVKDONJSA-N 378.083 5.126 50 1 GKGF O=C1c2ccccc2-c2cc([C@@H](Cl)C(=O)Nc3ccccc3)nc3cccc1c23 587102092 PTELIJORRKYKHY-JOCHJYFZSA-N 398.849 5.365 50 1 GKGF COc1ccc(/C(Cl)=C/C=C(\C#N)C(=O)c2c[nH]c3ccc(OC)cc23)cc1 1772635180 VLFKFWPKMRXJSU-PDVLSLHFSA-N 392.842 5.098 50 1 GKGF CC1(C)C[C@H]([C@@]23CC[C@@](C)(O2)[C@H](Br)C3)CC[C@@H]1Br 85855407 BUMRFOKGCWFBRD-OGMFBOKVSA-N 380.164 5.051 50 1 GKGF biogenic O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1Nc1ccnc2cc(Cl)ccc12 1772601483 MFZBVSLFPYIZKU-DLBZAZTESA-N 392.673 5.059 50 1 GKGF CC(C)C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@@H]21)[C@@H](C)[C@@]45C 2356690802 LJNUKAWROHMHLA-SPJCVTEMSA-N 384.560 5.537 50 1 GKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cccs2)[C@H]1c1ccc(F)cc1 587375524 MRQGPWHAUSUQSV-ICSRJNTNSA-N 388.847 5.086 50 1 GKGF Cc1ccc([C@@]2(CCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546040 UUXVIEFQVLDOJS-NZQKXSOJSA-N 394.854 5.187 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N=C=S)cc2)N1 587847845 YUJNJGPLQAKVMV-BBATYDOGSA-N 391.309 5.120 50 1 GKGF CC1=CC[C@H]2C(C)(C)[C@H](Br)CC[C@]2(C)O[C@@H]1CBr 86033552 BVMIPASLGLRPCO-COMQUAJESA-N 380.164 5.075 50 1 GKGF biogenic Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586886153 DWMFUHOVSZAULC-BDJLRTHQSA-N 392.393 6.366 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(N=C=S)cc1)O2 587411121 RHJAQQYAPXMMNF-QHCPKHFHSA-N 386.476 5.221 50 1 GKGF COc1cccc2c1CC[C@H]1[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]21C 1772603783 RGYLHCWGMFZNIE-GUBFDYSESA-N 390.640 5.308 50 1 GKGF O=C(Nc1ccccc1CBr)c1cccc2c1C(=O)c1ccccc1-2 35932160 RLOHFUHDGIYPIE-UHFFFAOYSA-N 392.252 5.045 50 1 GKGF Cc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@H](c3ccc(C)cc3)N2C(=O)CCl)cc1 169318584 ZBCVQQXIRKHYLH-KLDKWKSESA-N 383.919 5.008 50 1 GKGF NCCc1c[nH]c2ccc(OCCCCCCCCCBr)cc12 205533631 VGFRXSXOXTXYGR-UHFFFAOYSA-N 381.358 5.174 50 1 GKGF O=C(O)/C=C/c1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586878292 CFDFGOJGMDLWGY-VMPITWQZSA-N 390.333 5.985 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCC)c1C)CC2=O 587461182 QIOHJSCOTJEBIV-JOCHJYFZSA-N 389.923 5.273 50 1 GKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc3nc(CCl)oc23)N1 962954403 RCOJIPLFINCDKX-DMZKTXOQSA-N 379.891 5.236 50 1 GKGF CCc1c2c(n(C)c1CC)CCC/C2=N\N(C)C(=O)Nc1ccc(Cl)cc1 40576029 YHJAIBSULGJVEX-JJIBRWJFSA-N 386.927 5.008 50 1 GKGF Cc1cc([C@@H](Cl)c2ccc(C(C)(C)C)cc2)nc(Nc2ccc(C#N)cc2)n1 169349000 IFNURCWMZCEBPF-NRFANRHFSA-N 390.918 6.026 50 1 GKGF Fc1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCl 587625161 ASAKWGVUYHTRHW-UHFFFAOYSA-N 395.705 6.750 50 1 GKGF CC#CCCCCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587956420 AXDIKFOLWMCLBW-UHFFFAOYSA-N 380.426 7.127 50 1 GKGF C=C1CC[C@]2(N=C=S)[C@@H](C)CC[C@@H]3[C@@H](C)C[C@@H](CC(C)(C)N=C=S)[C@H]1[C@H]32 653771398 OBQKVSVKTMBMIY-XQOOQLJESA-N 388.646 6.384 50 1 GKGF C[C@]1(c2cccc(N=C=S)c2)c2ccsc2CCN1Cc1cccnc1 963002345 ZLHPBABKJGOPAH-NRFANRHFSA-N 377.538 5.199 50 1 GKGF C=C1CCCC(C)(C)[C@H]1CC[C@@H](C)CCC[C@@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 43543960 VCZNGUOXJKTDBG-ZUTPNKNVSA-N 394.596 6.546 50 1 GKGF C[C@@]1(CCCCCCCCCCc2ccccc2)C[C@](C)(CC(=O)O)OO1 85897151 LSOSWFXHGHKMMC-PKTZIBPZSA-N 376.537 6.084 50 1 GKGF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Cl)c2ccccc2)N1 587689779 WDBFBHJOKDWZSR-CNOZUTPLSA-N 382.704 5.318 50 1 GKGF C=C[C@@](C)(O)CC[C@@H]1C(C)=CC[C@H](Br)[C@@]1(C)CC[C@@H](O)C(=C)C 197430357 UXNHALFPXFVTMG-OBKDMQGPSA-N 385.386 5.157 50 1 GKGF COc1ccc(/C=C(\C#N)c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)cc1 587905669 DKTJPEQXWDOONG-PXLXIMEGSA-N 399.877 5.821 50 1 GKGF C[C@H](C=CC=O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356629014 OMTDEDXAIWMZOG-MMICYTDFSA-N 396.615 6.386 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1N=C=S 587918927 BTAZQULXTHWZKQ-UHFFFAOYSA-N 378.678 5.245 50 1 GKGF Cc1c(F)ccc2c1[C@](CCCCCCl)(c1ccc(Cl)nc1)NCC2 962369735 AOGOXFAKDCCRIN-FQEVSTJZSA-N 381.322 5.371 50 1 GKGF C[C@](Cl)(C=C[C@@H](Br)[C@](C)(Cl)C=CCl)CBr 2356738070 VYKLGBHBSJDLRH-KXUCPTDWSA-N 399.381 5.449 50 1 GKGF C=C[C@]1(C)C2=C3c4c([nH]c5cccc(c45)C(C)(C)[C@H]3C[C@H]1Cl)C(C)(C)C(C)=C2 2356787984 WAHCZMDVXMNQTN-KGVVXCLESA-N 391.986 7.270 50 1 GKGF CC1=C(CC/C(C)=C/CC[C@]2(C)CC[C@H]([C@H](C)C(=O)O)OO2)C(C)(C)CCC1 1607988 ZJKZMXQQSDVDLA-DNNTUITKSA-N 392.580 6.610 50 1 GKGF CC(=O)Oc1ccc([C@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 103867966 LDRPKVCCFAYGJB-DVECYGJZSA-N 398.462 5.337 50 1 GKGF C=CCCCCCC[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](O)[C@H](Cl)[C@@H](C)Cl 141155621 ZTMHOLOLVATDHU-PLJUSGQGSA-N 398.629 5.931 50 1 GKGF CC(C)(C)N(NC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccccc1Cl 204162948 VIXJQEDJQKMYRN-UHFFFAOYSA-N 399.705 5.233 50 1 GKGF O[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccccc1Cl 587058282 FEVBHIAFRQQJTQ-CYBMUJFWSA-N 384.757 5.955 50 1 GKGF CCCOc1cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2cc1Br 587186978 AARTUFRDVLNJEF-NTEUORMPSA-N 382.261 5.178 50 1 GKGF CCCOc1ccc([C@@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc1OC 103523691 XJBUMRFMEYDGHX-OAQYLSRUSA-N 380.488 5.452 50 1 GKGF CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)NCCCl 1911591123 BRBPRVJBRBTKSZ-VVFVXTANSA-N 380.016 6.733 50 1 GKGF Nc1cccc(C(=O)O)c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587248773 VYAAIBKMWPGLPJ-UHFFFAOYSA-N 379.310 5.168 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc(CBr)nc2ccccc12 587898291 IEMYLIRHYLJFOW-UHFFFAOYSA-N 386.676 5.192 50 1 GKGF O=C(Nc1cc(Cl)ccc1Cl)c1cc2cc(CCl)ccc2oc1=O 28703749 BKMRKDGPAYSRGU-UHFFFAOYSA-N 382.630 5.091 50 1 GKGF CCC[C@@H](Br)/C=C/C(=O)N(Cc1ccc(Cl)cc1)CC(C)C 103279201 HYAOJIDNYBCYKE-YCABEKBOSA-N 386.761 5.444 50 1 GKGF CC(C)CN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@H](Br)C(C)C 103279203 GQRVRHLOJSBLJE-FVNWOWOISA-N 386.761 5.300 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1cc(C)c(C)cc1C)([C@@H](C)Cl)CC2=O 587459181 NACYMMAVQJWEPX-WAIKUNEKSA-N 386.919 5.758 50 1 GKGF COC(=O)Cc1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587783604 WOOPVYNYACMXSO-UHFFFAOYSA-N 392.349 5.603 50 1 GKGF C/C(C=O)=C\C=C\C=C(C)\C=C\C=C(/C)C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O 4654994 MFDUGTOOXGORRX-GISMIEQJSA-N 382.544 5.150 50 1 GKGF in-vitro CCN(CCCl)CCCCNc1c2ccccc2nc2ccc(OC)cc12 5807690 HFVJAAIFSPEOOT-UHFFFAOYSA-N 385.939 5.149 50 1 GKGF Cc1ccc(Cc2ccc(CP(=O)(c3ccccc3)c3ccccc3)o2)o1 68592151 SAECCHWIEYWVLI-UHFFFAOYSA-N 376.392 5.286 50 1 GKGF biogenic O=C1C[C@]2(CCCCCCCCCC[C@H]2Cl)Oc2c1ccc1c2CCCC1 587503096 WRNCYAHRPWVZRK-VWNXMTODSA-N 388.979 6.791 50 1 GKGF CCN(CC)CCOc1ccccc1/C=C(\C#N)c1noc2ccc(Cl)cc12 40554502 USKISXLMUOPBSP-GHRIWEEISA-N 395.890 5.266 50 1 GKGF C=CCCCCC[C@@H](CCCCBr)CCCC(=O)NCCC=C 146141208 WTMKCJYPHDROBP-IBGZPJMESA-N 386.418 6.167 50 1 GKGF C[C@H]1CC[C@@H]2[C@@H](C[N+]#CSNCCc3ccccc3)CC[C@H]3[C@@H]([C@@H]12)C3(C)C 238749263 BREXLLNPYHSOJT-OESRZTOOSA-N 383.625 6.102 50 1 GKGF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(C(=O)NN)ccc4[nH]3)cc2)CC1 586881345 UFEIOIKAUMTZSU-QAQDUYKDSA-N 390.531 5.297 50 1 GKGF C[C@]1(c2ccc(CCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545943 TYRGFJSNNZBVTC-NZQKXSOJSA-N 394.854 5.051 50 1 GKGF CCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587684515 KQWKOBZHLRKHCV-CWTRNNRKSA-N 396.731 5.167 50 1 GKGF CC(C)=CCC[C@](C)(O)C=CC=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 2356659575 JNQVRZLAPNDWBX-ZRNYENFQSA-N 385.386 5.301 50 1 GKGF CC(=O)Oc1ccc(C=C(C#N)C(C#N)=Cc2ccc3c(c2)CCC(C)(C)O3)cc1 2356669623 IARHGSIQGUMKPE-UHFFFAOYSA-N 398.462 5.230 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OCC)cc1)([C@@H](C)Cl)CC2=O 587458211 HSXXHGBHPUPHJW-PEBXRYMYSA-N 388.891 5.231 50 1 GKGF COc1ccc(CSSC=CC[S@](=O)Cc2ccc(OC)cc2)cc1 1857623584 WVJMPUWJWCALBP-VWLOTQADSA-N 394.583 5.048 50 1 GKGF CC1=CC(=O)[C@@H]2C(C=O)=CC[C@@H]3[C@H]([C@H](C)C=C[C@@H]4OC4(C)C)CC[C@]3(C)C[C@@H]12 2356608783 HPDVXTMBSBRHFZ-FPLNESFWSA-N 382.544 5.069 50 1 GKGF CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 104076280 VUMNYTGMUHRHJC-SBUREZEXSA-N 384.435 5.141 50 1 GKGF CCCCCOc1cc2nc([C@H](Cl)CCl)[nH]c2cc1Br 587008438 OSSHQHOCOUKDDC-SNVBAGLBSA-N 380.113 5.413 50 1 GKGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(-c3ccccc3Br)c2c1 587639505 YJQUTACILGAEGU-GFCCVEGCSA-N 376.725 6.850 50 1 GKGF CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=O 2356725644 IVMLONFHZYZDNZ-UHFFFAOYSA-N 376.584 7.942 50 1 GKGF Cc1ccc(C2OOC(c3ccc(CNc4ccc(Cl)cc4)cc3)OO2)cc1 72174782 AVSGPFIECAGKQW-UHFFFAOYSA-N 397.858 5.868 50 1 GKGF O=P(Oc1ccccc1)(Oc1ccccc1)[C@](O)(CCl)c1ccccc1 103235384 DEZGVOPVZSAOBF-HXUWFJFHSA-N 388.787 5.422 50 1 GKGF COC(C)(C)[C@H](Br)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586971343 QPYYOOGXTWWKFU-QGZVFWFLSA-N 389.293 5.003 50 1 GKGF Cc1cc2c(cc1F)[C@@](CCl)(c1ccc3c(c1)-c1ccccc1C3)NCC2 962094785 SNKNOXKBUNHGRI-XMMPIXPASA-N 377.890 5.333 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C(C)=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O 2356304855 FSRNSMXGQLRDSO-RCZVLFRGSA-N 384.560 5.385 50 1 GKGF C[C@H](CCC=CCCC=Cc1ccccc1)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 2356731534 PSBVOOFDCUCSOT-OAUWFCSDSA-N 398.543 6.027 50 1 GKGF CC(=CC=CCc1ccccc1)C[C@H](C)C[C@@]1(C)C[C@](C)(C=CC(=O)O)OO1 2356785379 ACZSZSJPPROEKB-OYDLWJJNSA-N 384.516 5.658 50 1 GKGF O=C(/C=C/c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Nc1ccccc1 587245316 VWBJMLOSVHGKGF-CMDGGOBGSA-N 389.349 5.872 50 1 GKGF CCCCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500051 YCPVPIMLVOUXOR-DEOSSOPVSA-N 382.931 6.008 50 1 GKGF CCC=CC[C@@H](C=CC=CC=C[C@H](CC=CCC=CCCC(=O)O)OO)OO 2356774552 ALQAYVWWNWCFEN-SFTDATJTSA-N 392.492 5.485 50 1 GKGF C=C(CC1(CNP(=O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1 8019485 IDBYWZZJVBKLTC-UHFFFAOYSA-N 387.463 5.389 50 1 GKGF CC(=O)c1c(C)[nH]c([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587498337 NDOGATJSTAQLBY-CMJOXMDJSA-N 399.918 5.201 50 1 GKGF N#CSc1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622212 FGHMWUMIHQVYGR-UHFFFAOYSA-N 387.237 5.186 50 1 GKGF CCC=CCC=CC=CCCCCCC[C@]1(C)C[C@@](C)(CC(=O)OC)OO1 2356645560 VQZBTDHEXDPHRH-DHIUTWEWSA-N 378.553 6.228 50 1 GKGF CC(=CC=CCc1ccccc1)C[C@H](C)C[C@]1(C)C[C@@](C)(C=CC(=O)O)OO1 2356785380 ACZSZSJPPROEKB-TUACAJSNSA-N 384.516 5.658 50 1 GKGF Cc1ccc(C2OOC(c3ccc(CNc4ccccc4Cl)cc3)OO2)cc1 72175459 LXFBEINHVDSNPM-UHFFFAOYSA-N 397.858 5.868 50 1 GKGF C=CCc1c(CBr)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993759 NPSANMQJDCAQEM-UHFFFAOYSA-N 378.269 5.378 50 1 GKGF CCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1CCl 587104172 PFOCUTOJGXEWTJ-UHFFFAOYSA-N 399.877 6.251 50 1 GKGF CC(C)COc1cc2nc(/C(C#N)=C\c3ccccc3)[nH]c2cc1Br 587187505 HYSBYZCTRPBVGD-NVNXTCNLSA-N 396.288 5.424 50 1 GKGF CSc1nc2nc(C)cc(Nc3ccc(S(F)(F)(F)(F)F)cc3)n2n1 73312447 HEVSPMAPHDLRAM-UHFFFAOYSA-N 397.398 5.556 50 1 GKGF C=CC[C@@H]1[C@H]2CC[C@@](O[Si](C(C)C)(C(C)C)C(C)C)([C@H]1O)[C@H](C(=O)OC)C2 195517767 YIBLHUPWAMRDEZ-XCRACJGTSA-N 396.644 5.073 50 1 GKGF COc1cccc(-c2c(C)c(CBr)nc3c2oc2ccccc23)c1 587361599 WTDSPTVNIRJTPP-UHFFFAOYSA-N 382.257 5.860 50 1 GKGF COc1cc2c3c(c1)O[C@]1(CCCCCCCCCC[C@H]1Cl)[C@@H](C2)C3=O 587423406 XXLSMDTUAIXPJG-LRXVAGHRSA-N 376.924 5.703 50 1 GKGF O=C1C[C@@](CCl)(CC23CC4CC(CC(C4)C2)C3)Oc2c1ccc1c2CCCC1 587495962 BBEXJQAQMMPWMM-ICQDXIDQSA-N 398.974 6.115 50 1 GKGF O=C1C[C@](C2CC2)([C@@H](Cl)c2ccccc2F)Oc2c1ccc1c2CCCC1 587500786 CVYLMTKYTFBNOO-GOTSBHOMSA-N 384.878 5.799 50 1 GKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@H](O)C1 13371357 HQPQTQQUHPFUOA-ZCPYHVQDSA-N 392.583 6.746 50 1 GKGF endogenous,in-man Cc1ccc(C2OOC(c3ccc(CN(C)c4ccccc4)cc3)OO2)cc1 72174711 MNAVDLDJOQALNA-UHFFFAOYSA-N 377.440 5.239 50 1 GKGF C[C@@]1(c2ccc(CCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545944 TYRGFJSNNZBVTC-OFNKIYASSA-N 394.854 5.051 50 1 GKGF C[C@@]1(c2cc(CCl)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615201 WZXFLWRGAGATLU-PXNSSMCTSA-N 386.856 5.070 50 1 GKGF CCCc1c(O)ccc2c1O[C@H](c1cccc(CBr)c1F)CC2=O 587465218 BYDUJMLURLZGQJ-KRWDZBQOSA-N 393.252 5.085 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CBr)c1ccc2occc2c1 963260136 WEBHOWOYXAETJA-OPAMFIHVSA-N 398.344 5.728 50 1 GKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C=C(C)CO 2356705986 MQYNZOSOJSWUMT-IIMDRIAPSA-N 386.649 5.272 50 1 GKGF C[C@]1(C(Cl)Cl)[C@H]2[C@@H](Cl)C[C@]1(C(Cl)Cl)[C@@H](Cl)[C@@H]2Cl 231138290 UOGZWWISWPADQM-HESNZDGGSA-N 379.369 5.442 50 1 GKGF C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587192187 WJKWVTPMELDXOE-JTQLQIEISA-N 389.349 6.232 50 1 GKGF C=C1[C@H](O)C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)CC(OCC)OCC 2356518690 YDTXZIZBGGRDRX-BLRYILKCSA-N 392.580 5.061 50 1 GKGF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC=C(C=O)CC(OCC)OCC 2356525410 ZLJOGSNKODRXJP-LGVFNWMJSA-N 376.581 6.090 50 1 GKGF O=C1[C@H](Cl)[C@@H](c2cc3ccccc3nc2Cl)N1c1ccccc1Cl 103167907 SLLCYDORYMODFK-HZPDHXFCSA-N 377.658 5.237 50 1 GKGF O=C(O)/C=C\c1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586878295 CFDFGOJGMDLWGY-YVMONPNESA-N 390.333 5.985 50 1 GKGF O=C(O)c1cccc2c(CCCl)c(-c3ccc(Br)cc3)[nH]c12 587637533 BXDBOBPVTSEDOE-UHFFFAOYSA-N 378.653 5.077 50 1 GKGF CC(=O)O[C@H](C=C(C)C)CC(C)=C1CC[C@@](C)(Br)[C@@H](Cl)C1 2356426073 OSZNJZCBXHOYRJ-IXDOHACOSA-N 377.750 5.536 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587033939 ADZRVPNDXNJVNI-ZDUSSCGKSA-N 396.406 6.138 50 1 GKGF Cc1c(C)c(C)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C 587495809 ACFPKOPLGDBZJI-RUZDIDTESA-N 396.958 6.207 50 1 GKGF CC(C)=CCC[C@H](C)C1=CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]12 2356541855 YVGINRGIDPTPQF-NDZDZNFSSA-N 384.560 5.197 50 1 GKGF C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(CSc1ccc(Cl)cc1)c1ccccc1 43523826 BIEDNDKWYIQBRJ-FIRPJDEBSA-N 390.932 5.209 50 1 GKGF C=C(C)[C@H]1C[C@]2(C)C[C@@H](O2)[C@H]1CC(=C)[C@@H]1CC[C@](C)(O)[C@@H](Br)C1 2356444167 NFNFPHXXILVTBW-YBRIYBKASA-N 383.370 5.007 50 1 GKGF CCc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1 40602079 FMACYQZFLAKYTF-SNAWJCMRSA-N 380.455 5.243 50 1 GKGF C[C@H](F)[C@H](N)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587126812 ZEDMFKVRXNUNTD-NVNXEXLPSA-N 398.170 5.341 50 1 GKGF CC/C(=C/c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587969199 ZLMFZRPPVNKKMO-RAXLEYEMSA-N 388.405 7.479 50 1 GKGF CCCCCCc1ccc(/C=C(\C#N)C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 73160944 UCLIXTRGQRBUPP-GRBCXPRBSA-N 386.539 5.984 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586974063 PZWKXTZLBLGSJJ-JTQLQIEISA-N 399.210 5.508 50 1 GKGF Cn1cccc1CN1CCc2sccc2C12[C@H](Cl)CCCCC[C@H]2Cl 962375045 RIWRLIDEIWGBJZ-RTBURBONSA-N 397.415 5.519 50 1 GKGF C=C1[C@@H](CC=C(C=O)CC(OCC)OCC)[C@]2(C)CCCC(C)(C)[C@H]2C[C@H]1O 2356518691 YDTXZIZBGGRDRX-CTVDGRRTSA-N 392.580 5.061 50 1 GKGF O=C/C=C/c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1F 586988729 OULXKIAVCPXWNU-GQCTYLIASA-N 395.389 5.170 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Cl)c2ccccc2)N1 587689226 QZYGQRBJWNFQIO-CNOZUTPLSA-N 382.704 5.318 50 1 GKGF S=C=NC=CCCCCCCCCCCCCCCCCCN=C=S 2356694948 NXCSVCJNPPOFGR-UHFFFAOYSA-N 380.667 7.947 50 1 GKGF CC(C)[C@@H]1CC[C@H]2[C@H](CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)CCl)CCC[C@]23C)C1 299838704 QVGFCGABFLCYBJ-OFWAFWPSSA-N 399.015 5.424 50 1 GKGF O=C/C=C/c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1F 587104430 UCVUCQGPPNVQSC-FNORWQNLSA-N 379.390 5.464 50 1 GKGF Cc1c(C)c(C)c([C@]2(CCl)c3c(F)cccc3C[C@H]3CCCN32)c(C)c1C 963103831 ODVRZRJSUYLPOF-HYBUGGRVSA-N 385.954 5.871 50 1 GKGF CC=C(C)C(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13CC[C@@H]1[C@](C)(OO)CCC[C@]1(C)[C@@H]3CC2 2356469918 GXCUIVKBCLAWCS-URLLEVDXSA-N 388.548 5.685 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c3cc(F)ccc13)CC2=O 587471942 MYUSAFGXLPVIEJ-NRFANRHFSA-N 387.838 5.065 50 1 GKGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496054 BHANYJASDTXCBH-QKFKETGDSA-N 397.902 5.012 50 1 GKGF CC1=C(/C=C/C2=CC=C(C=O)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C(C)(C)CCC1 40429122 OEGLSXQZTRNIHW-ZCQBWMKESA-N 377.484 6.217 50 1 GKGF Cc1ccc(C2OOC(c3ccc(/C=N\c4ccc(Cl)cc4)cc3)OO2)cc1 72173473 KOYZRPCTUINETE-OYKKKHCWSA-N 395.842 6.006 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586973740 NPVJHXUGIDWOEW-QMMMGPOBSA-N 385.092 5.311 50 1 GKGF FC(F)(F)c1ccc([C@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)nc1 963102400 CXBILBPBDBXYCI-OAHLLOKOSA-N 395.639 5.035 50 1 GKGF C[C@@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495834 AHOXAKKGFUASSF-PUAOIOHZSA-N 396.958 6.351 50 1 GKGF FC(F)(F)c1cc(C(F)(F)F)c2c(Oc3ccccc3)c(CCl)[nH]c2c1 587625720 KSCYSCZQYQCDES-UHFFFAOYSA-N 393.714 6.737 50 1 GKGF O=C1C[C@](CBr)([C@H]2Cc3ccccc32)Oc2c1ccc1c2CCCC1 587499463 NFNCHIZYNWVYQO-UGKGYDQZSA-N 397.312 5.004 50 1 GKGF N#C/C=C/c1cc(F)c(Nc2ccc(F)c(Nc3ccc(C#N)cc3)n2)c(F)c1 653740613 CEMQWNWWENWMCY-OWOJBTEDSA-N 391.356 5.395 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CBr)c1ccc2occc2c1 963260139 WEBHOWOYXAETJA-ZHRRBRCNSA-N 398.344 5.728 50 1 GKGF CCCC[C@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 1772626070 MWEKRKHBRJMOBG-YSFYHYPLSA-N 394.983 6.436 50 1 GKGF CC(=CCO)CC[C@H]1[C@@]2(C)CC[C@@H](Br)C(C)(C)[C@H]2CC[C@@]1(C)O 2356475925 VUFPGDSZNJURQC-FPPGBKCQSA-N 387.402 5.072 50 1 GKGF CC[C@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587956561 SWBKOPCDICAYEZ-LURJTMIESA-N 379.192 6.496 50 1 GKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@@]1(C)C[C@](C)(C=CC(=O)O)OO1 2356791632 IUHGNCFOLJSJIH-TUSQITKMSA-N 398.543 6.048 50 1 GKGF CN(C)c1ccc(/C=N/NC(=O)N2c3ccccc3Sc3ccccc32)cc1 73240335 MOTROYLPERCOIL-HZHRSRAPSA-N 388.496 5.099 50 1 GKGF C[C@@]12CC3CC(C(=O)NNc4ccnc5c(Cl)cccc45)(C1)C[C@](C)(C3)C2 261114962 IPUPTMOTZJHXOV-BGCCBAISSA-N 383.923 5.328 50 1 GKGF CNP(=O)(NC)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 43649704 NLPUCIZMWWYDID-UHFFFAOYSA-N 391.415 5.090 50 1 GKGF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586886159 DWMFUHOVSZAULC-BZNIZROVSA-N 392.393 6.366 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)C)cc1C(C)C)([C@@H](C)Cl)O2 587374258 VLMFNCWKBDWHMR-VOIUYBSRSA-N 399.962 6.312 50 1 GKGF C=C[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H]5OCSS[C@@H]5[C@]4(C)[C@H]3CC[C@]12C 2356657835 VJOSXUKYBPWMSR-PEHJHFIMSA-N 392.630 5.727 50 1 GKGF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO[P@](=O)(F)OC 78938786 HNVKMEOEBANRAT-LHIUYSJSSA-N 386.488 7.873 50 1 GKGF in-vitro CC[C@H](C)SSc1nc2ccc(I)cc2s1 95595110 FAUAEYITNLVZSK-ZETCQYMHSA-N 381.329 5.440 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(CCCBr)c(F)c1 587916624 PJXBRWIMSGHESS-UHFFFAOYSA-N 381.672 5.215 50 1 GKGF O=S(=O)(CCl)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26845603 FLPCSTMGZCCPKG-UHFFFAOYSA-N 397.887 5.070 50 1 GKGF O=P(CCCCCCN=C=S)(OCC(F)(F)F)OCC(F)(F)F 1772601539 ZCPPVTTWYIDRFX-UHFFFAOYSA-N 387.282 5.001 50 1 GKGF CC(C)C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@H]21)[C@@H](C)[C@@]45C 2356690800 LJNUKAWROHMHLA-ACAHKDLVSA-N 384.560 5.537 50 1 GKGF C[C@H](C(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(-c2ccccc2)c(F)c1 103198819 HZKNJMZCSFYRGF-CAUYNWHBSA-N 380.850 5.400 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(CCCl)cc2)N1 587686482 VKACCHYJYAMIBI-BUXKBTBVSA-N 396.731 5.167 50 1 GKGF COc1ccc(CSCC=CSSCc2ccc(OC)cc2)cc1 1857623582 UJPVVPSYUJFMCH-UHFFFAOYSA-N 378.584 6.032 50 1 GKGF C[C@H]1C[C@@](C)(C[C@H](C)CCCCCCCCc2ccccc2)OO[C@@]1(C)O 2356509017 YSHAXSNVWDJIDZ-CBJLPSGESA-N 376.581 6.441 50 1 GKGF CC1=NC(C)=C(C#N)[C@H](c2ccc3[nH]nc(SCc4ccccc4)c3c2)[C@H]1C#N 169694579 XFEMCDUWLDLTMA-SIKLNZKXSA-N 397.507 5.351 50 1 GKGF Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587688238 JVNWSMBQSDRUTO-ORAYPTAESA-N 396.731 5.222 50 1 GKGF Cc1ccccc1[C@]1(CCCCCCl)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963017686 CFKNCEZQIZAGIQ-UUOWRZLLSA-N 396.962 5.091 50 1 GKGF C[C@H](C=CC=O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356586882 QZKKZSSKSNFSOQ-WKWIIZQQSA-N 398.631 6.178 50 1 GKGF C[C@@]1(CC(=O)NCc2cccc(-c3ccccc3)c2)CC2(CCCCC2)OO1 49679397 KTCKRRRPSKOKJZ-HSZRJFAPSA-N 379.500 5.173 50 1 GKGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(CN3C(=O)c4ccccc4C3=O)c2c1 587639355 SUJSIOIBRGGKFG-CYBMUJFWSA-N 380.875 5.216 50 1 GKGF Cc1cnc(Nc2ccc(C#N)cc2)nc1[C@@H](Cl)c1ccc(C(C)(C)C)cc1 169349006 JVOJQBFISJLCOR-FQEVSTJZSA-N 390.918 6.026 50 1 GKGF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587950717 CGCUYHBMYLIPET-OZVIIMIRSA-N 398.441 7.267 50 1 GKGF O=C(/N=N/c1ccc(Cl)cc1Cl)NNc1ccc(Cl)cc1Cl 18031864 DNKSUAOJBACASX-XUTLUUPISA-N 378.046 6.121 50 1 GKGF CC/C=C\C/C=C\C/C=C\C=C/C/C=C/C/C=C\CCC(=O)NCCCl 169346171 LKKCKRCEIZWGQJ-QFFBTGJJSA-N 375.984 6.429 50 1 GKGF CCCCCc1c(CBr)nc2cccc3c2c1-c1ccccc1C3=O 587101822 NJEWRZFHBXIYNC-UHFFFAOYSA-N 394.312 6.074 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(C3CCCCC3)cc1)O2 587373537 RHXXQXYJWVGGFV-QHCPKHFHSA-N 383.919 5.724 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2cccs2)N1 587847229 JRQXWGCUTJQJTL-HWPZZCPQSA-N 388.733 5.056 50 1 GKGF CC=C(C)C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@@H]21)C[C@@]45C 2356317079 OTWDRWVSTSNGQX-JZOHKOHZSA-N 382.544 5.601 50 1 GKGF C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O[Si](C)(C)C)[C@@H]1CC=C(C)CC 2356331961 XDOALGMSEJUNPF-DWQJTFDBSA-N 376.657 6.890 50 1 GKGF CC(=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@@H]3CC(=O)C(C)=C[C@H]3O2)O1)CC=CC(C)C 2356405785 DXVXAEIEQRNUAO-OUMDNPPYSA-N 396.527 5.026 50 1 GKGF CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(CSc1ccccc1)c1ccccc1 101415251 WURFGWKURSAVKR-CWKRKGSWSA-N 398.524 5.127 50 1 GKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(F)cc1 587570515 LDQLJUPWMIBHNC-DENIHFKCSA-N 398.817 5.017 50 1 GKGF CCC=CC=CC=CCCCCCCCC[C@]1(C)C[C@]2(C)OC(=O)C[C@H]2OO1 2356550041 AXDQPRBNYTZNDV-JRFVFWCSSA-N 390.564 6.371 50 1 GKGF CSc1nc(Nc2ccccc2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 28862119 JYRWBVRMNWJXEK-KRWDZBQOSA-N 395.919 5.272 50 1 GKGF O=C(N/N=C\c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 103180674 YKJKMVYTFDUUIX-QQXSKIMKSA-N 390.446 5.147 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CBr)(CCC1CCCC1)CC2=O 587456576 RKIVWDTXXNRACX-FQEVSTJZSA-N 395.337 5.414 50 1 GKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](Br)c2ccccc21 587460668 VKTYKJTWIKOGTM-UZLBHIALSA-N 387.273 5.045 50 1 GKGF CC(C)=CCC[C@](C)(O)C=CC=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](Br)C1 2356659572 JNQVRZLAPNDWBX-FUMNGEBKSA-N 385.386 5.301 50 1 GKGF C/C(=C/C(Cl)Cl)[C@H](Br)/C=C/[C@@](C)(Cl)CBr 85952128 XYWJXYNATGBZQB-DJPFKYFESA-N 399.381 5.449 50 1 GKGF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NNC(=O)c1ccncc1 96940224 ZWNBLPDKQXLOQB-HZJYTTRNSA-N 399.579 5.656 50 1 GKGF CCCCC[C@H](/C=C/C=C/CCCCCCCC(=O)OC)OOC(C)(C)C 102182831 GUWYTNFTPALBOJ-WLUWCSEUSA-N 382.585 6.698 50 1 GKGF C[C@@H](Cl)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587500208 YQYJOFXDMQXTOZ-QKFKETGDSA-N 379.887 5.535 50 1 GKGF C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963100436 AXYQGLAEVKHXRN-VZDNWZCBSA-N 385.954 6.015 50 1 GKGF CC1=C(C#N)C(c2ccc3[nH]nc(SCc4ccccc4)c3c2)C(C#N)=C(C)N1 68151693 PKPVIBIRLRSNIZ-UHFFFAOYSA-N 397.507 5.137 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CBr)c1c(F)cccc1F 963234020 DXLUAJYLRWKDTP-VBKZILBWSA-N 394.303 5.260 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=C[C@@H]1C(C)(C)C[C@H](O)C[C@]1(C)O 2356284433 ARDVFBZKQUUHJT-ARNLJNQMSA-N 384.560 5.241 50 1 GKGF O=C1C[C@@](CCl)(c2ccc(F)c(Cl)c2)Oc2c1ccc1c2CCCC1 587509140 XIZTVGBTTCKOTE-HXUWFJFHSA-N 379.258 5.457 50 1 GKGF CC1(C)CCC[C@]2(C)O[C@]3(/C=C/c4ccccc4Br)C=C[C@@]12OO3 299833774 IOZLYFBBJWIRJG-RJAXKOLQSA-N 391.305 5.414 50 1 GKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Cl)CCCC3)c1 587360503 PDEITUFAGXBNPI-GOSISDBHSA-N 377.871 6.663 50 1 GKGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](Cl)c1ccccc1)[C@@H](C2)C3=O 587417275 KTVWIDVAGSNEAW-WUMKDDEVSA-N 390.866 5.318 50 1 GKGF CC(=CC=CCCCC=Cc1ccccc1)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356756178 CPCDZHAAYWQQMM-ICDZXHCJSA-N 396.527 5.948 50 1 GKGF O=C1C[C@H](c2ccc(CBr)c(F)c2)Oc2c1ccc1c2CCCC1 587509265 XYPJWSQEESPMOR-LJQANCHMSA-N 389.264 5.306 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc([C@@H](C)CC)cc1)CC2=O 587458647 DPWNCDZUUIDPND-WNSKOXEYSA-N 386.919 5.958 50 1 GKGF C[C@]1([C@@H](Cl)c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573331 VXIYUUHCFOZTND-NYVOZVTQSA-N 398.817 5.232 50 1 GKGF [C-]#[N+]C1=C(c2ccc(Cl)cc2)N=C(C)[C@@H](C#N)[C@@H]1c1cc2c(N)nccc2o1 169698725 IQLBUVWIQGOXIY-CRAIPNDOSA-N 387.830 5.049 50 1 GKGF CCCCn1c2ccc(C(=O)CCl)cc2c2cc(C(=O)CCl)ccc21 1772607367 GDAIFTWBGPCQDQ-UHFFFAOYSA-N 376.283 5.438 50 1 GKGF Cc1cc(/C=C/C#N)ccc1Nc1ccc(F)c(Nc2ccc(Cl)cc2)n1 149971781 BRBUNEJLHFMDIG-NSCUHMNNSA-N 378.838 6.207 50 1 GKGF C[C@@]1(c2cccc(CCl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327023 ODUQXVAFORBLGO-GGAORHGYSA-N 396.845 5.544 50 1 GKGF C=C1CC[C@@H](Br)[C@]2(C)CC[C@@H](/C(C)=C/C=C/C(C)(C)OC)C[C@@]12O 13370871 ABUOJYVVQSTENN-UVJLBPFISA-N 397.397 5.565 50 1 GKGF Cc1cc(C)c(C)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587500002 XGDVNWVUNCUBTN-DEOSSOPVSA-N 382.931 5.899 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cccc(-c2noc(C(Cl)Cl)n2)c1 587905054 JMZFLAMZZGAKLU-UHFFFAOYSA-N 393.657 5.275 50 1 GKGF COc1ccc2c(c1)[C@@](CCl)(c1ccc(Cl)cc1Cl)N(C(C)C)CC2 962092955 OCLKEUFITAJRLH-HXUWFJFHSA-N 398.761 5.751 50 1 GKGF Cc1ccc2c3c(cc(-c4ccc(CCCl)cc4)nc13)-c1ccccc1C2=O 586992356 AHUQRXNDAXYBDY-UHFFFAOYSA-N 383.878 6.203 50 1 GKGF COc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(Cl)n1 587084077 UUBLDRFJXPNYAV-UHFFFAOYSA-N 385.745 5.944 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@@H](C)Cl)CC2=O 587461444 XKASNYAYXFSDOB-MPBGBICISA-N 379.283 5.486 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc(Br)cc(F)c1N=C=S 587914832 HWAFTRQCTFVJEP-UHFFFAOYSA-N 396.668 5.384 50 1 GKGF FC(F)(F)c1cc(C(F)(F)F)c2c(CCCl)c(-c3ccccc3)[nH]c2c1 587626608 TVORCQXTDJICGQ-UHFFFAOYSA-N 391.742 6.654 50 1 GKGF C[C@H](Sc1ncccn1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586963314 ZSPQSKGSINKWFP-QMMMGPOBSA-N 382.383 5.864 50 1 GKGF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OCCOCCCl)cc1 27520328 QBUMICPYSIYYPR-YADHBBJMSA-N 376.924 5.714 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(C3CCCCC3)cc1)O2 587373522 RHXXQXYJWVGGFV-HSZRJFAPSA-N 383.919 5.724 50 1 GKGF CCCC[C@]1(c2cc(OC)c(OC)c(OC)c2)CC(C#N)=C(c2ccccc2)O1 1772584576 VBICBDQZVZXALS-XMMPIXPASA-N 393.483 5.453 50 1 GKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C 2356568211 HQPQTQQUHPFUOA-VWLOTQADSA-N 392.583 6.746 50 1 GKGF O[C@@H]1C[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2ccccc21 586902770 MJVSLUKRJJYCFS-SWLSCSKDSA-N 376.350 5.789 50 1 GKGF CCCc1c(O)ccc2c1O[C@]1(CCCCCCCCCC[C@@H]1Cl)CC2=O 587463349 XLOUXNRCLIOSHX-JTHBVZDNSA-N 392.967 6.571 50 1 GKGF C[C@@H](Cl)[C@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587497705 KRSJJOZBQLDPQY-MYYSRTQBSA-N 380.915 5.542 50 1 GKGF Cc1ccc(C(=O)/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587966799 XSIBJYQRNFBJJF-HJWRWDBZSA-N 388.361 6.425 50 1 GKGF C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccccc2Nc2cccc(C)c2C)C1 98084112 WSVNBOKKANRCBL-QJOKQGFGSA-N 387.527 6.065 50 1 GKGF C[C@]1([C@@H](Cl)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323482 KNPDXZXNLQHELD-PMVMPFDFSA-N 396.845 5.629 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(CC)ccc1CC)CC2=O 587458485 JQMQUJZDLCGPFV-HSZRJFAPSA-N 386.919 5.569 50 1 GKGF Cc1cccc([C@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500942 VQPXXWOCGYYFQE-OYHNWAKOSA-N 399.328 5.518 50 1 GKGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570865 MGBVYGKNEPBOPT-PSMUNZOPSA-N 398.817 5.016 50 1 GKGF CC1=NC(C)=C(C#N)[C@H](c2ccc3[nH]nc(SCc4ccccc4)c3c2)[C@@H]1C#N 169694577 XFEMCDUWLDLTMA-DENIHFKCSA-N 397.507 5.351 50 1 GKGF N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@H]1c1ccccc1F 587157015 QRYKXICKXUKUMR-MEDUHNTESA-N 393.356 5.701 50 1 GKGF CCN(CC)C(=O)n1cc(/C(C#N)=C/c2cccc3cnccc23)c2ccccc21 1857605944 ZAYMVDGUEORVCT-XSFVSMFZSA-N 394.478 5.564 50 1 GKGF C[C@@H](C(=O)N/N=C/c1ccccc1Cl)c1ccc(-c2ccccc2)c(F)c1 103200286 PZCINLVHKGPQIO-PVLQNKMRSA-N 380.850 5.400 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CBr)(CCC1CCCC1)CC2=O 587456577 RKIVWDTXXNRACX-HXUWFJFHSA-N 395.337 5.414 50 1 GKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(C2)c2c(F)cccc2C[C@H]2CCCN21 963117298 YUOPCNHUQCKDLE-CQQLTZKSSA-N 392.356 5.263 50 1 GKGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C(C=O)[C@@H](C=O)[C@@]3(C)C(=O)C[C@H]21 49785928 KWZUECIPBRPVAL-QSFZWOONSA-N 384.560 5.175 50 1 GKGF O=C1[C@@H](Cl)[C@H](c2cc3ccccc3nc2Cl)N1c1cccc(Cl)c1 103167913 ZEUNFJQKUYQQNY-HOTGVXAUSA-N 377.658 5.237 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586974759 ZDSVEGVDWWNMEJ-JTQLQIEISA-N 399.210 5.508 50 1 GKGF Cc1ccc2c3c(c4c(nc13)[C@@H](Br)CCCC4)-c1ccccc1C2=O 586992914 GFQVBCBXVXVXNJ-KRWDZBQOSA-N 392.296 5.917 50 1 GKGF Cc1ccc2c3c(c4c(nc13)CC[C@H](CBr)C4)-c1ccccc1C2=O 586994400 ZFYAWNJKXUDBMR-ZDUSSCGKSA-N 392.296 5.254 50 1 GKGF CCc1ccccc1NC(=O)c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587241012 NMPSCKLJCLWGNX-UHFFFAOYSA-N 391.365 6.035 50 1 GKGF Nc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1CC(=O)O 587248976 DASNLCGTXBGWNC-UHFFFAOYSA-N 393.337 5.097 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)-c1ccccc1C3)O2 587372671 MSPKVCZSIBBWRB-DEOSSOPVSA-N 389.882 5.248 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(CCC(C)C)c1C)O2 587372942 OEEOMLVDQUYLNW-JOCHJYFZSA-N 388.939 5.141 50 1 GKGF O=C1C[C@@](CCl)(Cc2ccccc2Cl)Oc2c1ccc1c2CCCC1 587498798 OPGWHPVHLNZMGB-OAQYLSRUSA-N 375.295 5.404 50 1 GKGF ClCc1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621957 QXVDHBABDDGEKP-UHFFFAOYSA-N 395.087 5.866 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cccc2c(CBr)cccc12 587898970 VGVVYMATNDFJGH-UHFFFAOYSA-N 385.688 5.797 50 1 GKGF C[C@]1([C@@H](Cl)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323483 KNPDXZXNLQHELD-PUHATCMVSA-N 396.845 5.629 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccc(Cl)c(Cl)c1)O2 587373484 RBADBMWWCKZIRR-GOSISDBHSA-N 384.690 5.374 50 1 GKGF O=C(N/N=C/c1ccco1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28643128 FMHIXDPUIFTANN-CVKSISIWSA-N 399.494 5.060 50 1 GKGF CC(C)=C1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1=O 196925848 AJPONCSEEGOMLG-HXUWFJFHSA-N 392.615 5.021 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)c(F)c1)([C@H](C)Cl)CC2=O 587465065 ABTOHOYERHWMKL-PRWKNARSSA-N 380.818 5.111 50 1 GKGF FC(F)(F)c1cc(C(F)(F)F)c2c(CCl)c(-c3ccccc3)[nH]c2c1 587625099 BMCYQQQLODDZRH-UHFFFAOYSA-N 377.715 6.611 50 1 GKGF Cc1c(F)ccc2c1[C@@](CCCCCCl)(c1ccc(Cl)nc1)NCC2 962369739 AOGOXFAKDCCRIN-HXUWFJFHSA-N 381.322 5.371 50 1 GKGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)cc1CBr)CC2=O 587465067 AAVBUUSGYHHEEE-GOSISDBHSA-N 393.252 5.085 50 1 GKGF C[C@]1(c2cccc(CCl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542976 KIFCNXHRIYIDNU-SIKLNZKXSA-N 380.827 5.008 50 1 GKGF COc1ccc2c(c1)[C@@](CCl)(c1ccc(Cl)c(Cl)c1)N(C(C)C)CC2 962096768 ZRKCUIMHOLHGKA-HXUWFJFHSA-N 398.761 5.751 50 1 GKGF C=C(C)[C@H]1CC[C@]2(C)O[C@@H]2[C@@H]1CC(=C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 34471985 HWVDMZATQYSFPS-ZSXPZZPQSA-N 383.370 5.007 50 1 GKGF C[C@H](c1ccccc1)N(Cc1ccccc1)C1=NC[C@H](CBr)S1 82052535 UYIKHUDEUBDELO-QAPCUYQASA-N 389.362 5.116 50 1 GKGF O=C1c2ccccc2-c2cc(-c3cccc4nc(CCl)oc34)nc3cccc1c23 587103386 GTOHNIPECVVLAY-UHFFFAOYSA-N 396.833 5.993 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC)cc1)([C@@H](C)Cl)CC2=O 587458210 HSXXHGBHPUPHJW-JLCFBVMHSA-N 388.891 5.231 50 1 GKGF Cc1c(C)c(C)c([C@@]2(CCl)c3c(F)cccc3C[C@H]3CCCN32)c(C)c1C 963103834 ODVRZRJSUYLPOF-YKSBVNFPSA-N 385.954 5.871 50 1 GKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CCCCl)c1ncco1 963198952 BJHQAJILINCKNQ-JTHBVZDNSA-N 391.902 5.060 50 1 GKGF C[C@]1(c2cccc(N=C=S)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613269 NQANXTUBZXOGQM-DENIHFKCSA-N 389.432 5.004 50 1 GKGF C/C(=C\C=C\Cc1ccccc1)C[C@@H](C)C[C@@]1(C)C[C@@](C)(/C=C/C(=O)O)OO1 653820942 ACZSZSJPPROEKB-QTFPUAIISA-N 384.516 5.658 50 1 GKGF O=C(N[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12)OCCl 29037460 ABZQSJTWHDHDQW-KBXCAEBGSA-N 393.270 5.078 50 1 GKGF C=COC(=O)N(C)/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 45287691 USRZMUAJPCYUBP-WCWDXBQESA-N 382.811 5.237 50 1 GKGF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587249349 IVKHDZOHYXTPFT-UHFFFAOYSA-N 393.337 5.092 50 1 GKGF CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCCBr)c1ccc(O)cc1 29320139 BFRQBPLTXLUOFT-RTWAWAEBSA-N 391.349 6.115 50 1 GKGF C/C(C#N)=C/c1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1 33814576 ACBYVLBXWQRIRC-GDNBJRDFSA-N 380.455 5.379 50 1 GKGF CCCCCCCCCCCCCCCC[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 64528193 RQLPMLXGGRXMIS-QTJGBDASSA-N 396.612 7.043 50 1 GKGF biogenic FS(F)(F)(F)(F)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587037795 YKFZHHQWGGAYOM-ZDUSSCGKSA-N 398.447 6.661 50 1 GKGF C[C@@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)NCCc2c(Cl)cc(Cl)cc21 963121435 LLUVPYQWSDLFEX-ASSNKEHSSA-N 396.789 6.308 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586888592 LFJOVNHNAINDSG-KSSFIOAISA-N 386.389 6.592 50 1 GKGF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587168641 KCVTZJBFFKRPLO-SECBINFHSA-N 382.329 6.499 50 1 GKGF COc1ccc(Cl)cc1C#CCc1ccc2ccccc2c1CBr 587899080 ZAOFGSIXCRAIMT-UHFFFAOYSA-N 399.715 5.991 50 1 GKGF CCCCCC=C[C@@H](CCCCCCCC=CC=CC(=O)NCC(C)C)OO 2356488589 SWLNXMJZQXZBCB-QHCPKHFHSA-N 393.612 6.596 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)[C@H](O)CC1(C)C 2356702996 GTOIUXBIUCWSNU-HSZRJFAPSA-N 380.528 5.369 50 1 GKGF CCC=CCC=CC[C@@H](C=CC=CC=C[C@@H](CC=CCCC(=O)O)OO)OO 2356340319 LWOCSKALTQGXLZ-SFTDATJTSA-N 392.492 5.485 50 1 GKGF C/C(C=O)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC(=O)/C(C)=C/O 100773304 JYQVRBSGMTVCKG-JIDRUIINSA-N 388.548 6.316 50 1 GKGF endogenous,in-man O=C1c2ccccc2N(c2ccccc2)[C@H]2SS/C(=N\c3ccccc3)[C@H]12 1911580751 WCIMRZSTWJQEHR-QDKCTOGRSA-N 388.517 6.089 50 1 GKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@@H](Br)[C@@]1(C)CCC(=O)C(C)C 2356599095 NGKGLSFRRMQQBA-LMCOJAPRSA-N 385.386 5.445 50 1 GKGF COc1cccc(-c2cc(CCCBr)nc3c2oc2ccccc23)c1 587361688 YXCGHOZTVUIPIN-UHFFFAOYSA-N 396.284 5.984 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1csc3ccccc13)CC2=O 587498289 ZRGVSJIJRMRWCL-NRFANRHFSA-N 386.900 5.659 50 1 GKGF C[C@]1(C=CCl)C[C@](Cl)(CBr)[C@@H](Br)C[C@H]1Cl 2356737943 MMMYYEWTEBVZHZ-JXUBOQSCSA-N 399.381 5.282 50 1 GKGF C[C@]1(C=CCl)C[C@](Br)(CCl)[C@H](Br)C[C@@H]1Cl 2356792597 JXBAEGFNZRIVTR-KATARQTJSA-N 399.381 5.282 50 1 GKGF CC1=C(CC/C(C)=C/CC[C@@]2(C)CC[C@H]([C@H](C)C(=O)O)OO2)C(C)(C)CCC1 44387729 ZJKZMXQQSDVDLA-HGMMXSCQSA-N 392.580 6.610 50 1 GKGF CC(C)(C)c1ccc(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3s2)cc1 101757624 REYGJKCQBIGJFX-VLGSPTGOSA-N 392.480 5.243 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586973831 PAYADNIBDDALDP-SECBINFHSA-N 394.656 5.171 50 1 GKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587325883 HJVQYBYIEDCJHW-IRLDBZIGSA-N 382.818 5.025 50 1 GKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587326274 JUJOGYWJWOBKMG-GGAORHGYSA-N 396.845 5.415 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(OC)c(Cl)c1)CC2=O 587460594 NQDBFHVGODTXGN-FQEVSTJZSA-N 395.282 5.106 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc(S(F)(F)(F)(F)F)ccc1N 587917128 AITNYXZVZMLKGK-UHFFFAOYSA-N 383.769 5.988 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)cc(C)c(CCl)c1C)CC2=O 587458369 AUCRHGHSQFUONG-HSZRJFAPSA-N 386.919 5.889 50 1 GKGF COc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587496033 BGXDJEQGSYMILV-OAQYLSRUSA-N 391.294 5.327 50 1 GKGF Fc1cccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c1CBr 963121520 MBYVGMFVAMAERW-INIZCTEOSA-N 389.095 5.263 50 1 GKGF CC(=CC=CCCCC=Cc1ccccc1)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@H]2OO1 2356756179 CPCDZHAAYWQQMM-QLBJFCOMSA-N 396.527 5.948 50 1 GKGF CCOc1nc2nc(C)cc(Nc3ccc(S(F)(F)(F)(F)F)cc3)n2n1 73310059 FEEUAXZFJAJZMA-UHFFFAOYSA-N 395.357 5.232 50 1 GKGF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CCl)c2c1 587639360 SWBFTEXCNMCLSG-LBPRGKRZSA-N 376.725 6.850 50 1 GKGF CCO/C=N/C1=C(C#N)[C@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O1 103200350 JRJRNQAISDPOLE-KXQYEYADSA-N 389.842 5.212 50 1 GKGF C=C[C@@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@@H]3C(C)(C)[C@H](Br)CC[C@]32C)O1 166349042 SUZVCDFBDIDJSN-JTPITWTBSA-N 385.386 5.087 50 1 GKGF BrCCOc1ccc(/C(=C\c2ccccc2)c2ccccc2)cc1 27880407 KKWXTFVAHYAEEX-XLNRJJMWSA-N 379.297 6.049 50 1 GKGF C[C@@](Cl)(/C=C/[C@@H](Cl)[C@](C)(Cl)/C=C/Br)CBr 85952121 XSMHHESOHBEVBV-SZZHGULSSA-N 399.381 5.449 50 1 GKGF CC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CC(C)(C)CC2=N1 104693575 GWBVMHGEQDISSU-XMMPIXPASA-N 398.506 6.233 50 1 GKGF CSc1ccnc(Nc2ccc(C#N)c(Oc3cccc(/C=C/C#N)c3)c2)n1 200031474 SSQAOFHSLQYKTC-HWKANZROSA-N 385.452 5.143 50 1 GKGF CN1CCc2c(Br)cccc2[C@@H]1c1ccc(OCCCCl)cc1 963269255 HELMCAMCCAQNMB-IBGZPJMESA-N 394.740 5.034 50 1 GKGF CC(C)C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@@H]21)[C@H](C)[C@@]45C 2356690803 LJNUKAWROHMHLA-VXOHLKSWSA-N 384.560 5.537 50 1 GKGF Clc1ccc(-c2noc(-c3sccc3Cl)n2)c(CBr)c1 43059375 HPWGEYYTQKIVSV-UHFFFAOYSA-N 390.089 5.667 50 1 GKGF Cc1ccccc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497049 BRQZIRVDDCZAGV-NRFANRHFSA-N 385.301 5.129 50 1 GKGF Cc1ccccc1[C@]1(CCCCCCl)NC[C@H]2CC(=O)N(C)c3cccc1c32 963017682 CFKNCEZQIZAGIQ-KOSHJBKYSA-N 396.962 5.091 50 1 GKGF C=CCCCCCCCC=CC#CCCC[C@]1(OC)CC[C@H](CC(=O)O)OO1 2356407493 CNFIAJKVMUSRIA-FYYLOGMGSA-N 392.536 5.561 50 1 GKGF CC1=C(C#N)[C@@H](c2ccccc2OC(C)C)C2=C(O)C[C@H](c3ccccc3)CC2=N1 103996636 JLTMOIOVELDMJP-KBMIEXCESA-N 398.506 6.199 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 586973091 FJPFXAOXBDMLLS-SECBINFHSA-N 384.199 5.023 50 1 GKGF Cc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587686967 DYYTVURUDDQNLO-VPZZIHKRSA-N 396.731 5.302 50 1 GKGF CC1=C[C@H]2c3c(O)cc(CCCCCBr)cc3OC(C)(C)[C@@H]2CC1 34613887 STZWVZLYBSAMKW-IAGOWNOFSA-N 393.365 6.111 50 1 GKGF CCCC=CC=CCCCCCCCC[C@]1(C)C[C@@]2(C)OC(=O)C[C@H]2OO1 2356402412 GMLLVOJRMHMDIV-YMPZKCBVSA-N 378.553 6.205 50 1 GKGF Cc1cc(C)c(C)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587500003 XGDVNWVUNCUBTN-XMMPIXPASA-N 382.931 5.899 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2cccs2)N1 587849166 RBYNNDXRUYOXBD-QLJPJBMISA-N 388.733 5.056 50 1 GKGF C=C[C@]1(C)CC[C@H](O)[C@](C)(CC[C@@H]2C(C)=CC[C@H](Br)C2(C)C)O1 2356796101 MUTPABRFEJFFKI-QQBOBMDFSA-N 385.386 5.397 50 1 GKGF CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@]2(/C=C\c1ccc(F)cc1)c1ccccc1 299849776 VSGQQNUGXZOXSJ-JESBUHKFSA-N 396.458 5.187 50 1 GKGF O=C1c2ccccc2-c2cc(-c3cccc(N=C=S)c3)nc3ccc(O)c1c23 586993980 NSSPLOGFQPXWDF-UHFFFAOYSA-N 380.428 5.553 50 1 GKGF FC(F)(F)c1cccc(C2OOC(c3cccc(C(F)(F)F)c3)OO2)c1 44138359 LKURYBJUIWSDOZ-UHFFFAOYSA-N 380.240 5.332 50 1 GKGF C[C@@]1(C(=O)Oc2ccc([N+](=O)[O-])cc2)CCC[C@]2(C)[C@H]3CCC(=O)C=C3CC[C@@H]12 238750661 QHWLWJBJWCCFIF-KKSHJYNMSA-N 397.471 5.012 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 586973092 FJPFXAOXBDMLLS-VIFPVBQESA-N 384.199 5.023 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 586973364 IQLYCAMMEBDAOB-JTQLQIEISA-N 383.211 5.628 50 1 GKGF O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 587325677 GQBKJYZBKAZDGJ-FYYLOGMGSA-N 396.845 5.111 50 1 GKGF CC(=CCc1ccccc1)CCC[C@H](C)C[C@]1(C)C[C@]2(C)OC(=O)C[C@H]2OO1 2356462164 IDTXMDHREDKNGT-VSYWRSJOSA-N 386.532 5.557 50 1 GKGF CC(C)(C)OC(=O)C[C@H](O)[C@@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C 2356706062 QJLFGMZXUIFXIZ-RBUKOAKNSA-N 394.628 5.102 50 1 GKGF Fc1cc2c(CCCl)c(-c3ccc(Br)cc3)[nH]c2cc1Cl 587628011 FJYQQDVATGAFPR-UHFFFAOYSA-N 387.079 6.171 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=C=C1C(C)(C)C[C@H](O)C[C@]1(C)O 2356642556 MFDUGTOOXGORRX-QPWMSZEUSA-N 382.544 5.150 50 1 GKGF O=C1C[C@@]2(CCCCCCCCCC[C@@H]2Cl)Oc2c1ccc1c2CCCC1 587503092 WRNCYAHRPWVZRK-LADGPHEKSA-N 388.979 6.791 50 1 GKGF C[C@]1(C(Cl)Cl)[C@@H]2[C@H](Cl)[C@@H](Cl)[C@]1(C(Cl)Cl)C[C@H]2Cl 2356515614 UOGZWWISWPADQM-UCRDGUOFSA-N 379.369 5.442 50 1 GKGF CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1C 587921386 XPCIPZWDLWNZOC-CIAFOILYSA-N 375.541 6.319 50 1 GKGF C[C@]1([C@H](Cl)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323484 KNPDXZXNLQHELD-WWNPGLIZSA-N 396.845 5.629 50 1 GKGF O=C(O)c1cccc2c1CCN[C@@H]2c1ccc(S(F)(F)(F)(F)F)cc1 963130583 KGCPKMCWWQZTIO-OAHLLOKOSA-N 379.350 5.277 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079610 FAHGQMNKVWLTGY-AWEZNQCLSA-N 396.768 6.550 50 1 GKGF Cc1ccc(C2OOC(c3ccc(CNc4cccc(C)c4)cc3)OO2)cc1 72174414 CXXBYWXVEFCRND-UHFFFAOYSA-N 377.440 5.523 50 1 GKGF C=CCCC1=NC[C@@H](O[Si](C)(C)C(C)(C)C)c2cc(OC)c(OC)cc21 195519513 BFQCZPDFEOHOHK-HXUWFJFHSA-N 375.585 5.536 50 1 GKGF O=C1C[C@](CCl)(c2ccc(F)c(Cl)c2)Oc2c1ccc1c2CCCC1 587509138 XIZTVGBTTCKOTE-FQEVSTJZSA-N 379.258 5.457 50 1 GKGF CC1(C)[C@@H]2CC[C@@]1(CCl)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543309 KELAKNNXKPAKCB-VLCIQMGPSA-N 398.886 5.158 50 1 GKGF CCCC[C@H](CC)CC(=C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1)CC 2356423966 MQOXHEXIFJRZSO-DEXHYYOUSA-N 382.585 6.388 50 1 GKGF CC(=CC=CCc1ccccc1)C[C@H](C)C[C@@]1(C)C[C@@](C)(C=CC(=O)O)OO1 2356785381 ACZSZSJPPROEKB-ZTCOLXNVSA-N 384.516 5.658 50 1 GKGF Fc1c(Cl)cccc1C[C@H](Br)c1cc2c3c(cccc3n1)CC2 587210158 HSZFWAMKGXUHAB-AWEZNQCLSA-N 390.683 5.805 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)C)cc1C(C)C)([C@H](C)Cl)O2 587374257 VLMFNCWKBDWHMR-UPCLLVRISA-N 399.962 6.312 50 1 GKGF O=C1C[C@](CBr)(C2CCCCCC2)Oc2c1ccc1c2CCCC1 587499322 LYKZQFYJONSVFY-NRFANRHFSA-N 391.349 5.635 50 1 GKGF Cc1cc(/C=C/C#N)cc(Cl)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1 1554279 NKAVAPDENJEDTD-NSCUHMNNSA-N 386.846 5.334 50 1 GKGF CC1=C(CC/C(C)=C/CC[C@@]2(C)CC[C@@H]([C@@H](C)C(=O)O)OO2)C(C)(C)CCC1 42875803 ZJKZMXQQSDVDLA-LAJJABCHSA-N 392.580 6.610 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 586974689 YLQVCCDPQCWZHX-VIFPVBQESA-N 384.104 5.916 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)c2ccccc12 587898976 VKUMTTODELYXBE-UHFFFAOYSA-N 385.688 5.797 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C(C)=C1C(C)(C)C[C@H](O)C[C@@]1(C)O 2356304857 FSRNSMXGQLRDSO-WIOPSUGQSA-N 384.560 5.385 50 1 GKGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1cccc2ccccc12 58576295 NIMQYHSEQDFZDG-HSZRJFAPSA-N 388.430 5.064 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)c(F)c(C)c1)CC2=O 587466548 OMFYNCJQZRIWNT-NRFANRHFSA-N 376.855 5.200 50 1 GKGF O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1Nc1ccnc2cc(Cl)ccc12 1772601485 MFZBVSLFPYIZKU-IRXDYDNUSA-N 392.673 5.059 50 1 GKGF C=C(CC[C@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCCCC2)OO1 43352432 JBOHIZHSWZQRBQ-BJKOFHAPSA-N 394.511 5.731 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2cccc(Br)c2[nH]1 586973202 GQYFUOLUFNYGNF-SNVBAGLBSA-N 394.110 5.372 50 1 GKGF CC(C)(F)[C@H](Br)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587087939 ZDMMVJXGDSWNEH-SECBINFHSA-N 389.574 5.299 50 1 GKGF COc1cccc(-c2cc([C@H](Cl)c3ccccc3)nc3c2oc2ccccc23)c1 587359475 YUKCTMZWGLJMDK-HSZRJFAPSA-N 399.877 6.985 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](Cl)c1ccccc1)O2 587370766 BPYCNTINJXJUPH-DHIUTWEWSA-N 377.871 5.418 50 1 GKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc3nc(CCl)oc23)N1 962954410 RCOJIPLFINCDKX-WHEQGISXSA-N 379.891 5.236 50 1 GKGF CC1=C(CC[C@]2(C)CC[C@H]([C@@H](C)C(=O)O)OO2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 86038918 JEKNAOQKJDUVOS-OSIFVFKHSA-N 392.580 6.300 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 586974686 YLQVCCDPQCWZHX-SECBINFHSA-N 384.104 5.916 50 1 GKGF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1CBr)CC2=O 587465241 BMOQSTLTXLYNME-GOSISDBHSA-N 393.252 5.085 50 1 GKGF CCc1c2c3n4c1CCC[C@@H]4C[C@@H]3O[Si](C(C)C)(C(C)C)O[C@@H](C)C2=O 197280794 LVDNCHOYGZNAMF-DAYGRLMNSA-N 375.585 5.253 50 3 GKGF S=C=Nc1cc(-c2nc(-c3ccco3)no2)ccc1Sc1ccccc1 28242267 QSASSSNKMSSDNO-UHFFFAOYSA-N 377.450 5.882 50 1 GKGF Cc1ccc(/C=C(\C#N)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 587187633 JRKUMXQBFDTVSI-WUXMJOGZSA-N 377.753 5.488 50 1 GKGF Cc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587689502 TWQZHORVRFVIQQ-JMERFSKESA-N 396.731 5.302 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc(CBr)c2ncccc2c1 587898038 DFSDDFWVEGKJGD-UHFFFAOYSA-N 386.676 5.192 50 1 GKGF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCCCCCCCCC[C@H]1Cl)NCC2 962923626 IVSICLDSFRXMSD-FYYLOGMGSA-N 390.999 5.251 50 1 GKGF CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3cccc(Cl)c3)cs2)c1C 587921424 XDBKBOUCNJOBAD-ZDLGFXPLSA-N 381.932 6.356 50 1 GKGF O=C1[C@H](Cl)[C@H](c2cc3ccccc3nc2Cl)N1c1ccc(Cl)cc1 103167926 GAJHXQDEJIVBBC-CVEARBPZSA-N 377.658 5.237 50 1 GKGF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587094354 QBXIUQRSZGRUKD-LURJTMIESA-N 397.291 5.350 50 1 GKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccccc2)[C@H]1c1ccc(F)cc1 587326275 JUJOGYWJWOBKMG-GMAHTHKFSA-N 396.845 5.415 50 1 GKGF CCc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C(C)(C)C)C[C@H]32)cc1 13136674 GFIZBGUBQNMXKW-NNMXDRDESA-N 384.527 5.115 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(CNc3ccccc3Cl)[nH]c2c1 587062502 UHSBDUNQTVIMRN-UHFFFAOYSA-N 383.773 6.486 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(CCl)c2)N1 587686845 XSAIQAQYWSQVCR-ADLMAVQZSA-N 382.704 5.125 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCCCl)(c1ccc(F)cc1)CC2=O 587468503 VROQNITZYYLXMN-NRFANRHFSA-N 376.855 5.364 50 1 GKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@]1(C)C[C@@](C)(C=CC(=O)O)OO1 2356791629 IUHGNCFOLJSJIH-FTBPSBKWSA-N 398.543 6.048 50 1 GKGF C=C(c1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1COC2(CCCC2)OO1 64274893 CEVYANBZEKJDPR-DEOSSOPVSA-N 388.463 6.263 50 1 GKGF O=C(Cl)CCCCCCCCCCC(=O)c1coc2ccc(Cl)cc12 587276153 LAVQNLGGHSMMGV-UHFFFAOYSA-N 383.315 6.935 50 1 GKGF COc1cccc(-c2c(CCBr)c(C)nc3c2oc2ccccc23)c1 587361653 XTQBJLUNIWWVOP-UHFFFAOYSA-N 396.284 5.902 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(CCl)cs2)N1 587845000 CVPSMGGRMCVCNH-XXFAHNHDSA-N 388.733 5.186 50 1 GKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@]1(C)CC[C@H](O)C(=C)C 2356618567 ZKJKEZGUTNHGBT-JAZQRGJZSA-N 385.386 5.157 50 1 GKGF C[C@H](CC/C=C/CC/C=C/c1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 44430787 LTMUKXRJUSZQFQ-SVXGUWFISA-N 386.532 6.187 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 586974509 XCSXUHKEZAFREI-SNVBAGLBSA-N 383.211 5.628 50 1 GKGF Cc1cc(F)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587509293 YICGQNMFEPHZOQ-OAQYLSRUSA-N 376.830 5.252 50 1 GKGF CC[C@H](C)c1ccc2[nH]c(CCl)c(-c3ccccc3Br)c2c1 587639506 YJQUTACILGAEGU-LBPRGKRZSA-N 376.725 6.850 50 1 GKGF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1CCl 586993863 RDQXYGCFVOMEPM-UHFFFAOYSA-N 399.877 6.169 50 1 GKGF CCCCCCCCCCCCCCSC[C@H](NC(C)=O)C(=O)CCl 38154223 DNTLTGJXMNGHAF-IBGZPJMESA-N 392.049 5.733 50 1 GKGF C[C@H](/C=C/c1ccccc1)C/C=C/[C@H](C)C[C@@]1(C)C[C@H](C)[C@H](CC(=O)O)OO1 238735089 SKVQYCUESXDYRX-VCSJQAJYSA-N 386.532 5.898 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ccccc13)([C@H](C)Cl)CC2=O 587461080 WEGWDEDCWMSXDQ-WHEQGISXSA-N 383.875 5.314 50 1 GKGF Cc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587686965 DYYTVURUDDQNLO-NQCMUKECSA-N 396.731 5.302 50 1 GKGF Cc1ccc2c3c(cc([C@H](Cl)c4ccc(F)cc4)nc13)-c1ccccc1C2=O 586996935 WRPMRDKRMPQNME-JOCHJYFZSA-N 387.841 6.222 50 1 GKGF CN(/N=N/c1ccc(Br)cc1)C(=O)CCCCc1ccc(O)cc1 1772611600 IFRFBGVVTNJKRE-QZQOTICOSA-N 390.281 5.025 50 1 GKGF C[C@H](C(=O)O)[C@H]1CC[C@](C)(CC/C=C2/CCC3=C(CCCC3(C)C)C2)OO1 238774788 FYBDKPKXLFVFLO-DOLRNEPPSA-N 376.537 5.974 50 1 GKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccccc1 587543464 KPLNHXBTKRYKCA-NZQKXSOJSA-N 394.854 5.268 50 1 GKGF C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1C[C@H](Br)C21OCCO1 2356737987 QAHFVTOKOXJWRU-GCNBINEPSA-N 395.381 5.312 50 1 GKGF C=C[C@@](C)(O)CC[C@H]1[C@](C)(CCC=C(C)C)[C@@H](Br)CC[C@@]1(C)O 35900948 YQCSNTCEUMEKDO-UHZRXMQZSA-N 387.402 5.381 50 1 GKGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C(C=O)[C@H](C=O)[C@@]3(C)C(=O)C[C@H]21 45496459 KWZUECIPBRPVAL-KZLDNJQNSA-N 384.560 5.175 50 1 GKGF C=C(c1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1COC2(CCCC2)OO1 64274654 SAMDRZLCYXGSTN-DEOSSOPVSA-N 388.463 6.263 50 1 GKGF CCCCC/C=C/C=C/[C@@H](CCCCCCCC(=O)OC)OOC(C)(C)C 102182819 XVZNKFOXXKMPCH-GVFWDXGESA-N 382.585 6.698 50 1 GKGF CCCCCCCCCCC[C@@H](Cl)CCOc1ccc(C(=O)OC)cc1 169340416 OYWRLKBZEGIWAV-HXUWFJFHSA-N 382.972 6.770 50 1 GKGF COc1cccc(-c2c(C)c([C@@H](C)Br)nc3c2oc2ccccc23)c1 587361654 XWFHOKUGNGFASV-CYBMUJFWSA-N 396.284 6.421 50 1 GKGF CCCCCCc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372397 KYFQICCGGOSGHS-XDHUDOTRSA-N 399.962 6.188 50 1 GKGF Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587545692 SDCMXKWVGZVNHD-REWPJTCUSA-N 394.854 5.105 50 1 GKGF CCCCCC=CCCCCCCCCCCCCC(=O)OCC(C)=CC#N 2356508373 GHNBRNPKCNRJOJ-UHFFFAOYSA-N 389.624 7.817 50 1 GKGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@]2(/C=C\c1ccc(F)cc1)c1ccccc1 299849777 VSGQQNUGXZOXSJ-SCNNJTHVSA-N 396.458 5.187 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587017763 YXQKNDMSMQBDTQ-GFCCVEGCSA-N 397.394 6.195 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)([C@@H](C)Cl)N1 587689832 WUPGETWLNBKBIW-VLXJIEOASA-N 396.731 5.188 50 1 GKGF N#CC(C#N)=Cc1cccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)c1 1857751191 BXQDGQTYYJDTMY-UHFFFAOYSA-N 392.466 5.467 50 1 GKGF CC=C(C)C(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@@](C)(CCC[C@@]1(C)OO)[C@@H]3CC2 2356469915 GXCUIVKBCLAWCS-JDUUUYSKSA-N 388.548 5.685 50 1 GKGF C=CCCCCC=CC#C[C@H](CCCCCCC(=O)OC)O[Si](C)(C)C 2356630575 WQIGSLWIITXDKA-OAQYLSRUSA-N 378.629 6.026 50 1 GKGF CC1=C(CC/C(C)=C/CC[C@@]2(C)CC[C@@H]([C@H](C)C(=O)O)OO2)C(C)(C)CCC1 42808219 ZJKZMXQQSDVDLA-NCFLSLSRSA-N 392.580 6.610 50 1 GKGF CC/C=C\C/C=C/C=C/CCCCCC[C@@]1(C)C[C@](C)(CC(=O)OC)OO1 44387641 VQZBTDHEXDPHRH-CRXLOVQSSA-N 378.553 6.228 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CSC#N)(c1ccccc1Cl)CC2=O 587493959 UYMBLSHUIMSTIH-HXUWFJFHSA-N 387.888 5.073 50 1 GKGF Cc1[nH]c2ccccc2c1[C@@]1([C@H](C)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587500285 ZUVHVLFODZOGTE-OWJWWREXSA-N 393.914 5.843 50 1 GKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@]1(C)CCC(=O)C(C)C 2356599094 NGKGLSFRRMQQBA-BTHPGYMESA-N 385.386 5.445 50 1 GKGF CC(C)=CCC[C@]1(C)CC(=C(Cl)CN=C(Cl)Cl)C[C@@H](O)[C@H]1Cl 2356634785 NWMWDIMFPYWPMI-IIAWOOMASA-N 387.178 5.828 50 1 GKGF CC(C)(F)[C@H](Br)c1nc2cc(Cl)cc(Br)c2[nH]1 587086688 GSIWZEIHTDWGGL-SECBINFHSA-N 384.474 5.163 50 1 GKGF CC(C)CC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327732 RDRWZRRBMQMOJN-CTNGQTDRSA-N 376.855 5.304 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(CCl)cc1)O2 587377773 ZAONSSJDEDTJID-QHCPKHFHSA-N 377.871 5.225 50 1 GKGF O=C1C[C@@](CCl)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510787 YJIGNCGUSCSVDK-HXUWFJFHSA-N 394.820 5.684 50 1 GKGF C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2Cl)cc1C(F)(F)F 100420271 LDZRXBOVXHDXDV-RAXLEYEMSA-N 380.753 5.320 50 1 GKGF Oc1ccc2c(c1)[C@](CCl)(c1c(-c3cccs3)[nH]c3ccccc13)NCC2 963343428 VXPGENKUGVQPQV-JOCHJYFZSA-N 394.927 5.230 50 1 GKGF C[C@]1(CCCCCCC=CC=Cc2ccccc2)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356500549 VIBYZHWNCSGZMC-OEMFJLHTSA-N 384.516 5.781 50 1 GKGF C[C@H](/C=C/c1ccccc1)C/C=C/[C@H](C)C[C@]1(C)C[C@H](C)[C@H](CC(=O)O)OO1 85552773 SKVQYCUESXDYRX-GKOZHEBJSA-N 386.532 5.898 50 1 GKGF Cc1ccc(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F 587146562 QHVDHAGBKKYGMM-DAXSKMNVSA-N 378.341 6.838 50 1 GKGF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 2356800926 RGHBXNXDVXZQGI-QORXBYIESA-N 398.587 5.758 50 1 GKGF CC(=O)NC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCC(C)CC1 587234305 JCFPNBMCDMKSRP-UHFFFAOYSA-N 397.413 5.762 50 1 GKGF CC[C@@H](C)c1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500226 YYXBXUWLUVWGMV-VOIUYBSRSA-N 382.931 6.178 50 1 GKGF O=C1C[C@H](c2cccc(CBr)c2F)Oc2c1ccc1c2CCCC1 587504803 NMVNDXJQYILIQP-GOSISDBHSA-N 389.264 5.306 50 1 GKGF Cc1cc(SSc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1 34034461 NIJWTRSAOSNCDN-UHFFFAOYSA-N 378.526 5.474 50 1 GKGF CC(C)CCOc1cc2nc([C@H](C)Br)[nH]c2cc1Br 587008731 NPEAOJUEDIOSCI-VIFPVBQESA-N 390.119 5.206 50 1 GKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 2356793544 KOPJTRKWLYJVCH-TUACAJSNSA-N 386.532 5.882 50 1 GKGF C[C@@](Cl)(/C=C/Cl)[C@H](Cl)/C=C/[C@@](Cl)(CCl)CBr 73276823 HCTBSUXDIUTHQM-GGGCFCPFSA-N 389.375 5.511 50 1 GKGF C=C[C@]1(C)CC[C@H](O)[C@](C)(CC[C@@H]2C(C)=CC[C@@H](Br)C2(C)C)O1 2356796102 MUTPABRFEJFFKI-VROUVPMXSA-N 385.386 5.397 50 1 GKGF ClCCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 96907875 IVSKWKPZQWHWKL-UHFFFAOYSA-N 387.354 5.360 50 1 GKGF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(CBr)c1)CC2=O 587467467 SJOPEZWDYYYGQJ-SFHVURJKSA-N 393.252 5.085 50 1 GKGF Cc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587499293 LWQNIPHJMBRJCM-JOCHJYFZSA-N 399.328 5.438 50 1 GKGF Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587541893 DSWCNDOSTKPFDZ-REWPJTCUSA-N 394.854 5.105 50 1 GKGF N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)s1)c1nc2ccccc2s1 1857762563 NGVQAKXMOVTXMR-RVDMUPIBSA-N 388.473 5.787 50 1 GKGF O=C(O)CCCCCCCCCCCCCCC[123I] 100522160 RNTWMPKPEATMJA-HHRLKWFBSA-N 378.328 5.967 50 1 GKGF in-man CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(CCl)c2c1 587650098 WTJWYEOIRQKVRK-UHFFFAOYSA-N 388.703 5.284 50 1 GKGF Cc1cc(/C=C/C#N)cc(Oc2cc(Nc3ncnc(C4CC4)n3)ccc2C)c1 1857616415 PIYNZBXFFAFNQC-ONEGZZNKSA-N 383.455 5.439 50 1 GKGF N[C@H]1CC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587246120 CZMBMQBMNABRIK-XPUUQOCRSA-N 392.191 5.188 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N=C=S)c2)N1 587847008 VWKZJQPZNQQSHE-ADLMAVQZSA-N 391.309 5.120 50 1 GKGF Cc1cc(-c2csc(C(C#N)=C3CCCC3)n2)c(C)n1-c1ccccc1F 587922508 PMZVXZVORXRZES-UHFFFAOYSA-N 377.488 6.208 50 1 GKGF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)CC(OCC)OCC 2356525409 ZLJOGSNKODRXJP-IMSXRSKXSA-N 376.581 6.090 50 1 GKGF COC(C)(C)[C@@H](Br)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586971084 LWRLYGJVCNFJCD-INIZCTEOSA-N 391.334 5.575 50 1 GKGF CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CCl 587500049 YBNCRKSWODWRIO-HSZRJFAPSA-N 384.903 5.584 50 1 GKGF C=CCCCCCC[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](O)[C@@H](Cl)[C@@H](C)Cl 2356643639 ZTMHOLOLVATDHU-HCDMYHGNSA-N 398.629 5.931 50 1 GKGF CC1=C(CC[C@]2(C)[C@@H]3CCC(C=O)=C[C@H]3[C@H]2C2=CC(=O)OC2)C(C)(C)CCC1 2356803834 XMBWEHWGNKXFRT-RKQHTQASSA-N 382.544 5.564 50 1 GKGF COC(C)(C)[C@H](Br)c1nc2cccc(OCc3ccccc3)c2[nH]1 586971388 ROKVETGPPKVSLI-QGZVFWFLSA-N 389.293 5.003 50 1 GKGF BrCCCP(c1ccccc1)(c1ccccc1)=c1cccc[cH-]1 617995262 MQTFMPPJOUPIFM-UHFFFAOYSA-N 384.277 5.391 50 1 GKGF CC1=CC[C@H](Br)C(C)(C)[C@@]12CC[C@@](C)(Cl)[C@H](Br)C2 85951518 ZPXHDWNADVHCRP-CTHBEMJXSA-N 398.610 6.057 50 1 GKGF O=C(Cl)c1ccc(N=Nc2ccc(C(=O)c3coc4ccccc34)cc2)cc1 587280476 GOJZYEJFVSKJLS-UHFFFAOYSA-N 388.810 6.458 50 1 GKGF CC(C)(C)c1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500288 ZXYLGPIZHZDFGO-DEOSSOPVSA-N 382.931 5.962 50 1 GKGF O=C1c2ccccc2-c2cc([C@H](Cl)c3ccc(F)cc3)nc3ccc(O)c1c23 586988914 SLQLTUVVSZBNJM-JOCHJYFZSA-N 389.813 5.619 50 1 GKGF Fc1c(Cl)cccc1C[C@@H](Br)c1cc2c3c(cccc3n1)CC2 587210159 HSZFWAMKGXUHAB-CQSZACIVSA-N 390.683 5.805 50 1 GKGF O=C1c2ccc(O)cc2O[C@](CCl)(C2CCCCC2)[C@H]1c1ccc(F)cc1 587328587 VCGLNLFYABHXIU-RBBKRZOGSA-N 388.866 5.448 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCC3)([C@H](C)Cl)CC2=O 587457904 DAYKJUQGNNVQFI-LFVRLGFBSA-N 384.903 5.321 50 1 GKGF CC(C)=CCCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1 2356545883 RDIQGQNNHFBYRT-MFYODDQASA-N 396.527 5.170 50 1 GKGF C=C[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H]5OCSS[C@@H]5[C@]4(C)[C@H]3CC[C@]12C 2356657836 VJOSXUKYBPWMSR-ZDLYJOAZSA-N 392.630 5.727 50 1 GKGF N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1cc2ccccc2nc1Cl 40540444 AZHZUXNZMAESQG-FQEVSTJZSA-N 383.838 5.260 50 1 GKGF [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)([N+]#[C-])CC[C@@H]2[C@@]1(C)CC[C@@H](Cl)C(C)(C)O1 85551164 ULUHGZAAPMJKNO-JVKCDKLRSA-N 392.971 5.095 50 1 GKGF Cc1cc(/C=C/C#N)cc(C)c1Nc1ccc(F)c(Nc2ccc(C#N)cc2)c1 149533266 BHHLPUBPTBVXSQ-ONEGZZNKSA-N 382.442 6.338 50 1 GKGF CC1=C(CC/C(C)=C/CC[C@]2(C)CC[C@H]([C@@H](C)C(=O)O)OO2)C(C)(C)CCC1 1996004 ZJKZMXQQSDVDLA-JFMGQYSVSA-N 392.580 6.610 50 1 GKGF CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@H]1c1cccnc1 40447618 JAVNUNRLSDWUCO-SQYHMDOVSA-N 391.496 5.016 50 1 GKGF [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)([N+]#[C-])CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)Cl)O1 166371193 ATNOYFYRFJVDEP-QJUHQHJTSA-N 392.971 5.095 50 1 GKGF COC(=O)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCl 587357756 LPMQPFAMUZOFIB-UHFFFAOYSA-N 395.842 5.225 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586973156 FYSNEVDHORYBQQ-QMMMGPOBSA-N 385.639 5.541 50 1 GKGF CCCc1ccc(-c2nn(C[C@@H](Cl)c3ccccc3)c3ncnc(N)c23)cc1 1857618958 WQSGFLXKMFIUCR-GOSISDBHSA-N 391.906 5.008 50 1 GKGF CC1=CC=C(Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@@H](Br)C2 2356753050 PHHUSFCHCZLGNG-CFVMTHIKSA-N 396.594 6.183 50 1 GKGF Cc1ccc(C2(c3ccc(C)cc3)SC(=C(C#N)C#N)c3ccccc32)cc1 5852983 WMXOTLYSLGXBMB-UHFFFAOYSA-N 378.500 6.100 50 1 GKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C3CCC3)nc2c1 586884179 LDVIZGJXMMILER-UHFFFAOYSA-N 377.176 6.250 50 1 GKGF N#CC(=C1CCCC1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922987 LBLHBGGFTWNVHW-UHFFFAOYSA-N 399.494 6.949 50 1 GKGF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1 2356802630 SMLFTANGNKPQHM-WLZGJCBXSA-N 392.580 6.155 50 1 GKGF CC(=O)N[C@@H](CCCC#CC=C(Cl)Cl)CCCC#CCC(Cl)Cl 85952747 UJHURGUGOWAGMH-HNNXBMFYSA-N 397.173 5.351 50 1 GKGF biogenic Cn1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C(F)(F)F)c1 587113043 RECDSAOGSUXWKG-UHFFFAOYSA-N 391.287 6.245 50 1 GKGF Nc1c(F)c(F)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1F 587136820 NYZOXFXQDWCUBN-UHFFFAOYSA-N 389.271 5.887 50 1 GKGF Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCl)cc1 587622232 GCNKPAXISATFSD-UHFFFAOYSA-N 378.632 5.352 50 1 GKGF O=C(N/N=C/C1CCCCC1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 73162407 LOWOUSBAZSIMEY-WGOQTCKBSA-N 396.494 5.679 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586972954 DBPKDMIUWCIXAL-SECBINFHSA-N 384.104 5.916 50 1 GKGF CC(C)CC=CC[C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@H]3CC[C@@H](O)C[C@@]34CC[C@@]12OO4 2356708308 KWNQCEPDCGGDIX-GRCYNQBISA-N 388.592 5.816 50 1 GKGF N#C/C(=C\c1c[nH]c2ccc(Br)cc12)c1ccc(Cl)c(Cl)c1 84742359 BFTACZKGHZINAP-VZUCSPMQSA-N 392.083 6.301 50 1 GKGF N=c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2ccccc2[nH]1 587254353 RTYAIEIDRDMNOF-UHFFFAOYSA-N 386.349 5.848 50 1 GKGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Cl)c1ccccc1)[C@@H](C2)C3=O 587417270 KTVWIDVAGSNEAW-IEXUWNMDSA-N 390.866 5.318 50 1 GKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@]3(C)O)C(C)=CC[C@H]12 2356411799 ZJBUGILYFJGAAU-CJOMPRKPSA-N 386.576 5.277 50 1 GKGF CCCCCCCCCCCCCCCC[C@]1(C)C[C@@](C)(CC(=O)OC)OO1 64528238 DVDILLRCOVOIFH-DNQXCXABSA-N 398.628 7.290 50 1 GKGF biogenic CC(C)=C(c1ccccc1)N(CCOC/C=C/c1ccccc1)C(=O)CCl 103171154 OFRQGISFATVKCT-FMIVXFBMSA-N 383.919 5.235 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccccc3)c1C)O2 587372960 OLKCWIAVYFGDDS-QHCPKHFHSA-N 394.902 5.084 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCC)c1C)CC2=O 587461183 QIOHJSCOTJEBIV-QFIPXVFZSA-N 389.923 5.273 50 1 GKGF Cc1cccc2[nH]cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c12 587496832 GBRSRJNFNUTUHA-HSZRJFAPSA-N 379.887 5.455 50 1 GKGF Cc1cccc2[nH]cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c12 587496833 GBRSRJNFNUTUHA-QHCPKHFHSA-N 379.887 5.455 50 1 GKGF COc1ccc2c(c1)[C@@H](CCNC(=O)CCCCl)C[C@H](c1ccccc1)C2 40423743 BLMCLRWCXYYWTB-VQTJNVASSA-N 385.935 5.034 50 1 GKGF C=C(c1ccc(Cl)cc1)[C@H]1CCOC2(CCC(Nc3ccccc3)CC2)OO1 49881904 UHFHAKVAUVOZLR-OOMBGRCJSA-N 399.918 5.841 50 1 GKGF C=C1CCC[C@@H]2[C@@](C)(CC[C@@]3(C)CC[C@H]([C@@H](C)C(=O)O)OO3)[C@H](C)CC[C@@]12C 140159713 SQNNYRWDFNZPBJ-QAGMZRMBSA-N 392.580 6.155 50 1 GKGF O=C1C[C@@]2(CCCCCCCCCC[C@H]2Cl)Oc2c1ccc1c2CCCC1 587503089 WRNCYAHRPWVZRK-ISKFKSNPSA-N 388.979 6.791 50 1 GKGF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)C[C@](C)(C=CC=O)CC[C@]12C 2356614029 FISNANYLARCGOG-KTGISECNSA-N 398.631 6.776 50 1 GKGF CC(C)(C)OC(=O)C[C@@H](O)[C@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C 2356706060 QJLFGMZXUIFXIZ-MOPGFXCFSA-N 394.628 5.102 50 1 GKGF Cc1ccc2c3c(cc(-c4ccc(O)c(CCl)c4)nc13)-c1ccccc1C2=O 586993802 PQSKYEVZCPAYQH-UHFFFAOYSA-N 385.850 5.866 50 1 GKGF CC(C)CCOc1ccc(/C=N/NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1 100489721 PLCAEHTVDPIQCS-NHLKIXOVSA-N 396.575 5.558 50 1 GKGF CCCCCCCCCCCCCC[C@@H](I)C(=O)O 102184652 YLPKUDQPEREJNG-OAHLLOKOSA-N 382.326 5.966 50 1 GKGF CCC=CCC=CCC=CCCCCCC[C@@H](O[Si](C)(C)C)C(=O)OC 2356558704 JGKDIIGUVRHMES-OAQYLSRUSA-N 380.645 6.579 50 1 GKGF O=C1OC(=O)c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)ccc21 586906570 OCPLEAQFZZUCKD-UHFFFAOYSA-N 390.289 5.198 50 1 GKGF Fc1ccc(-c2c(CCl)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 587625529 JNFOQKDYEXCTNO-UHFFFAOYSA-N 395.705 6.750 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc(S(F)(F)(F)(F)F)ccc1O 587917830 SJWWSZKJELOZCG-UHFFFAOYSA-N 384.753 6.111 50 1 GKGF CS(=O)(=O)c1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586927066 TWMIEMJLJSGFGW-UHFFFAOYSA-N 398.378 5.291 50 1 GKGF Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325279 DEZPZMXSPQPBBN-GMAHTHKFSA-N 396.845 5.333 50 1 GKGF Cc1cc([C@@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)c(C)n1C(C)C 963111273 NTIPNGDPEQTXLL-LJQANCHMSA-N 385.766 5.621 50 1 GKGF COc1ccc(/C=C/C(=O)N/N=C(\C)c2ccc(C3CCCCC3)cc2)cc1 1857759066 NMDVWIXKYYRMIL-UNFCQQSFSA-N 376.500 5.297 50 1 GKGF c1ccc(CSSSCSSSCc2ccccc2)cc1 13377758 USUTWOHYZKLVGQ-UHFFFAOYSA-N 388.695 7.404 50 1 GKGF biogenic,in-vitro C=C(C[C@@H]1[C@H](C(=C)C)CC[C@]2(C)O[C@H]12)[C@@H]1CC[C@@](C)(O)[C@H](Br)C1 85808257 HWVDMZATQYSFPS-BWGCIZRJSA-N 383.370 5.007 50 1 GKGF biogenic FS(F)(F)(F)(F)c1ccc2[nH]c(C=NOCc3ccccc3)nc2c1 587190386 NOLRKOWLQZRPNN-UHFFFAOYSA-N 377.338 5.771 50 1 GKGF CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1C 587921390 XPCIPZWDLWNZOC-MTJSOVHGSA-N 375.541 6.319 50 1 GKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCCCCl)(c2ccc(C)cc2)N1 962945004 INZABXNXZCBSME-CYFREDJKSA-N 380.963 6.053 50 1 GKGF CC1=CC=C(Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 2356753051 PHHUSFCHCZLGNG-QEJZJMRPSA-N 396.594 6.183 50 1 GKGF Cc1cc(/C=C\C#N)cc(C)c1Sc1ccnc(Nc2ccc(C#N)cc2)n1 40587807 UGYNVAFJUMDDSD-ARJAWSKDSA-N 383.480 5.397 50 1 GKGF CCCCCCCCCCCCC[C@@H](I)CC(=O)O 85941618 NCMJGOFMXHKQDT-OAHLLOKOSA-N 382.326 5.966 50 1 GKGF COc1cc2c3c(c1)O[C@@H](c1ccc(S(F)(F)(F)(F)F)cc1)[C@@H](C2)C3=O 587428352 NWOZIEAPPVZULB-GUYCJALGSA-N 392.345 5.841 50 1 GKGF O=C1C[C@@](C2CC2)([C@@H](Cl)c2ccccc2F)Oc2c1ccc1c2CCCC1 587500790 CVYLMTKYTFBNOO-XZOQPEGZSA-N 384.878 5.799 50 1 GKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@]1(C)CC[C@H]1OC1(C)C 2356459018 YSEOBWHSSYMSKX-FPPGBKCQSA-N 385.386 5.397 50 1 GKGF CC(C)=CCCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@H]3CC(=O)C(C)=C[C@@H]3O2)O1 2356545886 RDIQGQNNHFBYRT-SDZTWWDVSA-N 396.527 5.170 50 1 GKGF C=C1C[C@H](OC(C)=O)[C@H](Br)C(C)(C)[C@@]12CCC(C)=C(Cl)C2 13379318 GQCHYEJJCOTYBA-YQQAZPJKSA-N 375.734 5.351 50 1 GKGF biogenic CC(=O)N[C@H](CCCC#CC=C(Cl)Cl)CCCC#CCC(Cl)Cl 85952744 UJHURGUGOWAGMH-OAHLLOKOSA-N 397.173 5.351 50 1 GKGF biogenic C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@H]1OC1(C)C 473128140 YSEOBWHSSYMSKX-DSJDWBEOSA-N 385.386 5.397 50 1 GKGF O=C1O/C(=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2ccccc21 586906506 NBXGUWWCRWWTGL-ZSOIEALJSA-N 388.317 5.889 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ccccc13)([C@@H](C)Cl)CC2=O 587461078 WEGWDEDCWMSXDQ-MCMMXHMISA-N 383.875 5.314 50 1 GKGF C[C@H](Cl)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587500206 YQYJOFXDMQXTOZ-LFVRLGFBSA-N 379.887 5.535 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N=C=S)cc2)N1 587847847 YUJNJGPLQAKVMV-ZMZPIMSZSA-N 391.309 5.120 50 1 GKGF ClC[C@]1(c2ccc(Cl)cc2)c2ccsc2CCN1Cc1cccnc1 963010369 NGULFSRUPNJZCE-FQEVSTJZSA-N 389.351 5.337 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)c1ccc2c(c1)cc(O)n2C 963221635 ALTCBFARRIMERK-WAIKUNEKSA-N 382.935 5.023 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=C=C1C(C)(C)C[C@@H](O)C[C@]1(C)O 2356642555 MFDUGTOOXGORRX-QGDPAGJQSA-N 382.544 5.150 50 1 GKGF CCCCCCCCCCCCOC(=O)/C(C#N)=C/c1cc2ccccc2[nH]1 1772603757 PEYMMBZBTRPYTR-DYTRJAOYSA-N 380.532 6.539 50 1 GKGF Cc1ccc(/C=C(\C#N)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587188810 XATPHNBMBNFUCP-MDWZMJQESA-N 385.361 6.593 50 1 GKGF [C-]#[N+]COc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 261106239 HLZLTWKDAMNDKV-UHFFFAOYSA-N 394.478 5.262 50 1 GKGF Cc1ccc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587543389 KKADEXPMYOCARA-OFNKIYASSA-N 394.854 5.105 50 1 GKGF CC[C@H](C)c1ccc2[nH]c(-c3c[nH]c4ccc(C#N)cc34)c(CCCl)c2c1 587639188 OWUUJUDXQHAAIP-AWEZNQCLSA-N 375.903 6.483 50 1 GKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](Cl)[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2356736154 VEIABLNKNSOQQY-PVRUNILOSA-N 392.967 5.303 50 1 GKGF CC1=CC[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 105467444 ZPXHDWNADVHCRP-DHMWGJHJSA-N 398.610 6.057 50 1 GKGF COc1cc(C)ccc1OCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587564194 NRQKQBOOLHMANS-UHFFFAOYSA-N 394.365 6.116 50 1 GKGF COc1ccc(/C(Cl)=C/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1OC 1772600252 UMFTUVCAXATEDO-ZHIGFMDJSA-N 392.842 5.098 50 1 GKGF C=C[C@@](C)(Cl)[C@@H](Cl)C=CC(=CCl)C(Br)Br 2356489251 QCIBPHNBCUZFCG-WCBMZHEXSA-N 397.365 5.572 50 1 GKGF CCCCCCCCC/C=C/C#CCCC[C@]1(OC)CC[C@@H](CC(=O)O)OO1 85772482 YLKDYIIQSISYAD-OQMUJVAMSA-N 394.552 5.785 50 1 GKGF [C-]#[N+]C1=C(c2ccc(Cl)cc2)N=C(C)[C@H](C#N)[C@H]1c1cc2c(N)nccc2o1 169698728 IQLBUVWIQGOXIY-YJBOKZPZSA-N 387.830 5.049 50 1 GKGF C[C@@]1(O)CC[C@H]2C[C@H]1OO[C@@]2(CSc1ccc(Cl)cc1)c1ccccc1 253861305 BIEDNDKWYIQBRJ-ZXNZYJFHSA-N 390.932 5.209 50 1 GKGF O=C1C[C@@](CBr)(C2CCCCCC2)Oc2c1ccc1c2CCCC1 587499324 LYKZQFYJONSVFY-OAQYLSRUSA-N 391.349 5.635 50 1 GKGF CC(C)(C)c1ccc([C@]2(CCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500042 XORTWKNXUIQLFO-VWLOTQADSA-N 396.958 6.353 50 1 GKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccccc1F 587569720 SBMMDQJTPPTGFY-KNQAVFIVSA-N 398.817 5.017 50 1 GKGF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(CCCC[C@]5(C)C3=CC[C@@]12C)OO4 2356413558 CZLIBAKQDCPVLQ-XBRQOXJTSA-N 396.615 7.177 50 1 GKGF CC1=CC[C@H]2[C@H](C1)c1c(O)cc(CC#C[C@H](C)Br)cc1OC2(C)C 27755645 HFQLAXKYDSXFCZ-XIRDDKMYSA-N 389.333 5.332 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1cc(C)c(C)cc1C)([C@H](C)Cl)CC2=O 587459180 NACYMMAVQJWEPX-QMHKHESXSA-N 386.919 5.758 50 1 GKGF C[C@@H](Br)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587532622 RDCGPHOGMPODCT-BLVKFPJESA-N 391.330 5.271 50 1 GKGF CCO/C(O)=C1\C(C)=NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1CC(C)C 103871957 TZDOQDIBYYRJNQ-XGIGFIBQSA-N 398.528 5.281 50 1 GKGF N#C/C(=C\c1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587188573 TXIXXQJOZMALBF-IZZDOVSWSA-N 381.279 5.665 50 1 GKGF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(CCCC[C@@]5(C)C3=CC[C@]12C)OO4 2356413555 CZLIBAKQDCPVLQ-HHLLMGNXSA-N 396.615 7.177 50 1 GKGF COc1cc2c3c(c1)O[C@](CCCCl)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587420992 KERGEVIFFBNZAV-YADARESESA-N 398.930 5.655 50 1 GKGF C[C@]1(C(Cl)Cl)[C@H]2[C@H](Cl)C[C@@]1(C(Cl)Cl)[C@@H](Cl)[C@@H]2Cl 2356515612 UOGZWWISWPADQM-AYECKONKSA-N 379.369 5.442 50 1 GKGF FS(F)(F)(F)(F)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2 49780882 IFVADDDJZMRYHR-WBAXXEDZSA-N 391.405 6.979 50 1 GKGF C[C@]1(O)CC[C@H]2C[C@H]1OO[C@]2(CSc1ccc(Cl)cc1)c1ccccc1 253694619 BIEDNDKWYIQBRJ-NASSWSRMSA-N 390.932 5.209 50 1 GKGF Cc1ccc2c3c(c4c(nc13)[C@H](Br)CCC4)-c1ccccc1C2=O 586993069 HTSHAACJGMESIY-MRXNPFEDSA-N 378.269 5.527 50 1 GKGF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1F 587150903 GDDHYQZNBBMLRC-GHMZBOCLSA-N 396.331 6.770 50 1 GKGF C[C@]1([C@H](Cl)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323481 KNPDXZXNLQHELD-MZYLBHOOSA-N 396.845 5.629 50 1 GKGF C=C(c1ccc(Cl)cc1)[C@@H]1CCOC2(CCC(Nc3ccccc3)CC2)OO1 49881903 UHFHAKVAUVOZLR-KOENEWCDSA-N 399.918 5.841 50 1 GKGF CC(C)C(=O)OC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@@H]4[C@@H]5C[C@@]3(CC[C@H]12)[C@H](C)[C@@]45C 525915238 LJNUKAWROHMHLA-IFQUPEMRSA-N 384.560 5.537 50 1 GKGF biogenic CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc([C@@H](C)CC)cc1)CC2=O 587458645 DPWNCDZUUIDPND-NPMXOYFQSA-N 386.919 5.958 50 1 GKGF C[C@@H](Cl)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496958 GZDGBEOMRXSEJY-ASSNKEHSSA-N 375.295 5.707 50 1 GKGF Fc1ccccc1-c1c(CCl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626775 XDNUYMZSDPSZQF-UHFFFAOYSA-N 395.705 6.750 50 1 GKGF Fc1cc2c(CCl)c(-c3ccc(Br)cc3F)[nH]c2cc1Cl 587629652 VPDAQHZPBKTTHB-UHFFFAOYSA-N 391.042 6.268 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Cl)c2ccccc2)N1 587689781 WDBFBHJOKDWZSR-VQTKTOELSA-N 382.704 5.318 50 1 GKGF CCCCCCCCCCCCCCCC[C@]1(C)C[C@](C)(CC(=O)O)OO1 44431048 MCQISFHSZRBFNN-PKTZIBPZSA-N 384.601 7.202 50 1 GKGF CCCC1=C(O)[C@](C)(CCCCCCO[Si](C)(C)C(C)(C)C)SC1=O 195133481 UOZNVAAVDGJTLI-FQEVSTJZSA-N 386.674 6.603 50 1 GKGF CN(C)CC#CCCC(=O)[C@](O[Si](C)(C)C)(c1ccccc1)C1CCCCC1 195252594 CNRHESWQXCUNDG-DEOSSOPVSA-N 399.651 5.228 50 1 GKGF N#CSC[C@@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587532342 MDQDAQIUBPGWPI-RUZDIDTESA-N 399.515 5.794 50 1 GKGF N#C/C(=C\c1ccccc1OCCN1CCCC1)c1noc2ccc(Cl)cc12 40646184 IBZVJLCLUQFZLC-GHRIWEEISA-N 393.874 5.020 50 1 GKGF CC(C)=CCC/C(C)=C/C[C@H]1C(C)=CC=C(C=O)[C@H]1c1ccc([N+](=O)[O-])cc1 40979121 FXSMUTXQCHGOSK-UPYONLKGSA-N 379.500 6.463 50 1 GKGF CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)NCCCl 102191524 BQBDMHFMVUMRNO-XMMPIXPASA-N 394.864 5.521 50 1 GKGF FC(F)(F)c1nnc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cn12 115358534 OKOGSMXJOCMRCG-UHFFFAOYSA-N 389.271 6.073 50 1 GKGF C=CC[C@@H]1[C@H]2CC[C@](O[Si](C(C)C)(C(C)C)C(C)C)([C@@H](C(=O)OC)C2)[C@H]1O 195517769 YIBLHUPWAMRDEZ-MOFJNDHNSA-N 396.644 5.073 50 1 GKGF C/C(=C/O)C(=O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C=O 238733427 JYQVRBSGMTVCKG-RLJLMZIGSA-N 388.548 6.316 50 1 GKGF CC[C@H](c1ccc(O)cc1)[C@H](CCI)c1ccc(O)cc1 25967156 KMOUPDMGFJLHJS-QZTJIDSGSA-N 396.268 5.200 50 1 GKGF CC1=C(CC/C(C=O)=C\C=C\C2=CC(=O)O[C@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 38558694 FMCDEBKDPYNHPK-UHEYQGPOSA-N 398.543 5.193 50 1 GKGF CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C\C=O)C(C)(C)CCC1 230087953 PJEHRCCPERVGEC-REEUXDGESA-N 376.584 7.776 50 1 GKGF in-vitro N#CSC[C@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587532348 MDQDAQIUBPGWPI-VWLOTQADSA-N 399.515 5.794 50 1 GKGF COc1ccc([C@]2(C)NCCc3cccc(-c4ccccc4)c32)cc1CCl 962667249 NGFNVHUNWQPWHH-DEOSSOPVSA-N 377.915 5.510 50 1 GKGF COc1cc(CCCBr)cc2cc(-c3ccc4c(c3)OCO4)oc12 40835455 OBZHZSSCGGKGJM-UHFFFAOYSA-N 389.245 5.165 50 1 GKGF C[C@@](Cl)(/C=C\Br)[C@@H](Cl)/C=C/C(=C/Cl)C(Cl)Cl 198461928 WSTOEGOKMOGOKF-FICDXVPJSA-N 387.359 5.983 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586973739 NPVJHXUGIDWOEW-MRVPVSSYSA-N 385.092 5.311 50 1 GKGF Cc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587689216 QXELYFTWFCTDKJ-YJYMSZOUSA-N 396.731 5.222 50 1 GKGF Cc1sc2c(c1C)CCN[C@@]2(CCCCl)c1ccc(Br)cc1 963025943 PGFLTPCQPWBGSI-SFHVURJKSA-N 398.797 5.536 50 1 GKGF Cc1cc(/C=C/c2ccnc3ccccc23)ccc1N(CCCl)CCCl 38142982 JSTGYORKLQGBCS-SOFGYWHQSA-N 385.338 5.998 50 1 GKGF CCc1cccc2c([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587497638 JNFAWQHPZRMPQV-DEOSSOPVSA-N 393.914 5.709 50 1 GKGF C=C(C)[C@H]1C[C@]2(C)C[C@@H](O2)[C@H]1CC(=C)[C@@H]1CC[C@@](C)(O)[C@@H](Br)C1 2356444165 NFNFPHXXILVTBW-JGOWZFCDSA-N 383.370 5.007 50 1 GKGF N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1cc2ccccc2nc1Cl 40540443 AZHZUXNZMAESQG-HXUWFJFHSA-N 383.838 5.260 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O 2356642554 MFDUGTOOXGORRX-MWVNLWKXSA-N 382.544 5.150 50 1 GKGF COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=O 2356705091 UPQWPKXSLBUERR-UHFFFAOYSA-N 396.571 6.413 50 1 GKGF CC/C=C/C=C/C=C/CCCCCCCC[C@@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 141812240 AXDQPRBNYTZNDV-FONNPZOSSA-N 390.564 6.371 50 1 GKGF C[C@@]1(c2ccc(NC(=O)CCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500119 YMKHMXFEPGCJBI-QHCPKHFHSA-N 397.902 5.013 50 1 GKGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC[C@](C)(Br)[C@H](Cl)C2 238787304 ZLKDKQRNGQWCDI-NEBZKDRISA-N 398.610 6.057 50 1 GKGF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)CBr)c2c1 587639445 WFEDKXHNTXFZQC-ZDUSSCGKSA-N 385.305 5.682 50 1 GKGF C=CCCCCCCCC=CC#CCCC[C@@]1(OC)CC[C@@H](CC(=O)O)OO1 2356407495 CNFIAJKVMUSRIA-GMAHTHKFSA-N 392.536 5.561 50 1 GKGF COc1cc2c3c(c1)O[C@H](c1cccc(S(F)(F)(F)(F)F)c1)[C@@H](C2)C3=O 587429667 WGGDEQZMWOBXBE-SUMWQHHRSA-N 392.345 5.841 50 1 GKGF C[C@]1(c2cccc3nc(CCl)oc23)CC(=O)c2ccc3c(c2O1)CCCC3 587497232 HTVLIBMPTCUBTP-JOCHJYFZSA-N 381.859 5.326 50 1 GKGF CCCCCCCCc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CCl)cc1 587645126 WULDJHLMLMMYFO-UHFFFAOYSA-N 398.934 7.385 50 1 GKGF C[C@@H](Cl)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587883056 URSJGDPGUWUPBB-CYBMUJFWSA-N 380.702 5.004 50 1 GKGF Cc1sc2c(c1C)CCN[C@]2(CCCCl)c1ccc(Br)cc1 963025941 PGFLTPCQPWBGSI-GOSISDBHSA-N 398.797 5.536 50 1 GKGF CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCCOCCCl)c1ccc(O)cc1 29327906 HVBYTPHRSJSZFG-PKTZIBPZSA-N 390.951 5.975 50 1 GKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@@H]1OC1(C)C 473128141 YSEOBWHSSYMSKX-ORZNMBHWSA-N 385.386 5.397 50 1 GKGF C[C@H](Cl)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320437 AEFCZSLFLAXXDN-RUGFAHKUSA-N 396.845 5.413 50 1 GKGF CCCC1=C(O)[C@@](C)(CCCCCCO[Si](C)(C)C(C)(C)C)SC1=O 195133473 UOZNVAAVDGJTLI-HXUWFJFHSA-N 386.674 6.603 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CBr)(C1CCCCC1)CC2=O 587456098 KPONCOXBTDVRJT-IBGZPJMESA-N 381.310 5.024 50 1 GKGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570867 MGBVYGKNEPBOPT-VCHGGQOGSA-N 398.817 5.016 50 1 GKGF N#CC1=C(n2cccc2)Oc2c(ccc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 599111 CXFRIAAQVHVQDJ-JOCHJYFZSA-N 393.402 5.466 50 1 GKGF CCCCCC[C@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963126264 WBXFRLFYDCIJRH-MRXNPFEDSA-N 379.169 5.700 50 1 GKGF CCOC(=O)[C@]1(CCCCCCCl)NCCc2c(Cl)cc(Cl)cc21 963126986 YNRZMFWSCCAIGM-GOSISDBHSA-N 392.754 5.087 50 1 GKGF O=C1c2ccccc2N(c2ccccc2)[C@@H]2SS/C(=N\c3ccccc3)[C@H]12 1911580753 WCIMRZSTWJQEHR-WWOQAXIDSA-N 388.517 6.089 50 1 GKGF CCCCCCCCCCCCC[C@H](I)CC(=O)O 85941615 NCMJGOFMXHKQDT-HNNXBMFYSA-N 382.326 5.966 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(S(F)(F)(F)(F)F)c1)O2 587386008 HGVDJHUZIHESLD-OAHLLOKOSA-N 379.350 5.941 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)c(F)cc1Cl)CC2=O 587468597 YOCYFWXLYPSOOT-FQEVSTJZSA-N 397.273 5.545 50 1 GKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C(C)C 587497159 HJRZEGJRQMMNFE-HSZRJFAPSA-N 385.935 5.664 50 1 GKGF Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587690028 YTPOGBJJSMOXDD-DJJJIMSYSA-N 396.731 5.222 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)c1ccc2c(c1)C(C)(C)C(=O)N2 963230256 PCSOKJCXUZPVEP-GYCJOSAFSA-N 396.962 5.055 50 1 GKGF COc1cccc(C(=O)N/N=C/C2=C(Cl)c3cc(C)c(C)cc3CCC2)c1C 299819003 AYDCDIMWSOSLMW-DHRITJCHSA-N 396.918 5.322 50 1 GKGF Cc1ccc(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1N 587250221 KADSUMSXWJOKNQ-UHFFFAOYSA-N 377.382 5.896 50 1 GKGF CC[C@@H](C)c1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500224 YYXBXUWLUVWGMV-GYCJOSAFSA-N 382.931 6.178 50 1 GKGF Cc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541650 COLQLNUITSDDTC-XLHILCRZSA-N 394.854 5.185 50 1 GKGF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCSC#N)C[C@@H]12 28655124 GNVKWFZKVHLEDM-POTFFMOYSA-N 389.605 5.180 50 1 GKGF CCCCCCCCCCCCCC(=O)N/N=C/c1cccc(SC)c1 103170739 WFHJPBVGQMADBE-FCDQGJHFSA-N 376.610 6.560 50 1 GKGF O=C1c2ccccc2-c2c(CCCl)c(CCCCl)nc3ccc(O)c1c23 586985953 NEWBGEFOPNMFRT-UHFFFAOYSA-N 386.278 5.105 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(Oc3ccccc3)cc1)O2 587371924 ICJXQRPPKPAIMU-QHCPKHFHSA-N 393.870 5.469 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cccc2sc(CBr)cc12 587921184 WSCZPZBLCCRXMF-UHFFFAOYSA-N 391.717 5.858 50 1 GKGF CC(C)c1ccc([C@@]2(CCCCl)c3c(F)cccc3C[C@H]3CCCN32)cc1 963100559 BPSCZLZDKHJDCD-QPPBQGQZSA-N 385.954 6.232 50 1 GKGF CC1=CC(=O)[C@@H]2C(C=O)=CC[C@@H]3[C@H]([C@H](C)[C@@H]4C=CC(C)(C)O4)CC[C@]3(C)C[C@H]12 2356379266 MVOQGQWZPKEXTB-AZVQQLRBSA-N 382.544 5.069 50 1 GKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@]1(C)C[C@](C)(C=CC(=O)O)OO1 2356791631 IUHGNCFOLJSJIH-GVXSCFBNSA-N 398.543 6.048 50 1 GKGF CC(C)[Si](OC1=CCCCC[C@]12C(=O)N(C)c1ccccc12)(C(C)C)C(C)C 195457795 IJOMWTSVBNBDPQ-XMMPIXPASA-N 399.651 6.551 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)C)cc1C(C)C)([C@H](C)Cl)O2 587374252 VLMFNCWKBDWHMR-FYSMJZIKSA-N 399.962 6.312 50 1 GKGF CCCCCCC[P+](Cc1ccccc1O)(c1ccccc1)c1ccccc1 1911575194 IKSWNZAPKXVMNN-UHFFFAOYSA-O 391.515 6.531 50 1 GKGF CC(=O)c1c(C)[nH]c([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587498340 NDOGATJSTAQLBY-WNSKOXEYSA-N 399.918 5.201 50 1 GKGF CCC=CC[C@H](C=CC=CC=C[C@H](CC=CCC=CCCC(=O)O)OO)OO 2356774551 ALQAYVWWNWCFEN-RTWAWAEBSA-N 392.492 5.485 50 1 GKGF COc1ccc(-c2cc(CCCCC[C@@H]3CCSS3)n[nH]2)cc1OC 28823695 XJOQSMMOMCODAZ-MRXNPFEDSA-N 378.563 5.351 50 1 GKGF CC(C)(F)[C@H](Br)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587086737 HQVIIWODRPZNHS-MRXNPFEDSA-N 377.257 5.326 50 1 GKGF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587160906 ICSXAAWLQRGFNK-CHWSQXEVSA-N 378.341 6.631 50 1 GKGF CCCCCCCCc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CCl)cc1 587644470 FIWIMPBDISYDMD-UHFFFAOYSA-N 398.934 7.385 50 1 GKGF CC=CC=CCCCCCCCCC[C@@]1(OC)C=C[C@H](CC(=O)OC)OO1 2356668947 HVYBFBDAGMLZEH-IRLDBZIGSA-N 380.525 5.422 50 1 GKGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1ccc2ccccc2c1 64379330 KUXRPZKBEJDKKT-HSZRJFAPSA-N 388.430 5.064 50 1 GKGF COc1c(Cl)cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1Cl 1857569775 CSKJVMHWKACIMW-SFHVURJKSA-N 397.261 5.373 50 1 GKGF CO[C@@H]1[C@H]2C[C@H](C(C)C)[C@@]3(CC[C@]4(C)[C@H](Br)CC[C@](C)(O)[C@@H]4[C@@H]13)C2 2356530555 FKYQRKFANNKCHE-VJXHKGSHSA-N 399.413 5.024 50 1 GKGF C[C@H](CC/C=C/CC/C=C/c1ccccc1)C[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 72142739 LTMUKXRJUSZQFQ-QZSORSPQSA-N 386.532 6.187 50 1 GKGF CC1=C(C#N)[C@H](c2ccccc2OC(C)C)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 103996643 JLTMOIOVELDMJP-DFBJGRDBSA-N 398.506 6.199 50 1 GKGF FS(F)(F)(F)(F)c1ccc(Nc2ccc([C@@H]3CNCCO3)cc2)cc1 149975226 BKUBRDYQNYRTJY-INIZCTEOSA-N 380.382 5.749 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N=C=S)cc2)N1 587843584 IQZFXBCMZVZAPY-BBATYDOGSA-N 391.309 5.120 50 1 GKGF C[C@H](C=Cc1ccccc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c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587094355 QBXIUQRSZGRUKD-ZCFIWIBFSA-N 397.291 5.350 50 1 GKGF CCC=CC=CC=CCCCCCCCC[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 2356482376 MIXTVNJOFJIRKQ-XZOQPEGZSA-N 378.553 6.530 50 1 GKGF C=C[C@](C)(O)CC[C@]1(O)[C@H](C)CC[C@@H]2C(C)(C)[C@@H](Br)CC[C@]21C 2356673944 RZGHGVYSEQLDBS-OWJTWYAJSA-N 387.402 5.071 50 1 GKGF CC(=O)Nc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496050 BHANYJASDTXCBH-PSLXWICFSA-N 397.902 5.012 50 1 GKGF CCN(CC)CCOc1cccc(/C=C(\C#N)c2noc3ccc(Cl)cc23)c1 40641322 NYVPXCHUQIXRKG-SFQUDFHCSA-N 395.890 5.266 50 1 GKGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(CBr)c1)CC2=O 587467466 SJOPEZWDYYYGQJ-GOSISDBHSA-N 393.252 5.085 50 1 GKGF O=C1C[C@]2(C[C@@H](Br)c3ccccc32)Oc2c1ccc1c2CCCC1 587500833 YHWRIHOSWXJJTG-NQIIRXRSSA-N 383.285 5.266 50 1 GKGF Cc1cc(C)cc(OCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587564910 PFLNEPJRRZNOLP-UHFFFAOYSA-N 378.366 6.416 50 1 GKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(NC(=O)CCl)c2c1 587638904 JRTXPVIXFHIVCJ-GFCCVEGCSA-N 375.299 6.179 50 1 GKGF CCC=CC=CC=CCCCCCCCC[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 2356550045 AXDQPRBNYTZNDV-QTJGBDASSA-N 390.564 6.371 50 1 GKGF CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)O[Si](C)(C)C 205198548 FEUQNCSVHBHROZ-QTIWRUEGSA-N 384.677 7.027 50 1 GKGF C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CCC(=O)C(C)C 473119887 NGKGLSFRRMQQBA-MDNKFWRPSA-N 385.386 5.445 50 1 GKGF C[C@@]1(c2ccc(CBr)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500077 QDPLXTTUPRNFKW-NRFANRHFSA-N 385.301 5.341 50 1 GKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1F 587506051 OEBDELLUVGMKAM-NRFANRHFSA-N 376.830 5.252 50 1 GKGF C[C@@H](CCCCCCCCc1ccccc1)C[C@@]1(C)C[C@@H](C)[C@@](C)(O)OO1 49775213 YSHAXSNVWDJIDZ-DVKRWUGUSA-N 376.581 6.441 50 1 GKGF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO[P@@](=O)(F)OC 78938795 HNVKMEOEBANRAT-XXGTXLEASA-N 386.488 7.873 50 1 GKGF in-vitro O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1cc2c(cn1)[nH]c1ccccc12 1857631774 BJPRCAPFHIYFLY-JFLMPSFJSA-N 390.446 5.147 50 1 GKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@@]1(C)C[C@@](C)(C=CC(=O)O)OO1 2356791630 IUHGNCFOLJSJIH-GPUOULLFSA-N 398.543 6.048 50 1 GKGF N#C/C(=C\c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587188855 WIHLRJRNMWIHTD-SFQUDFHCSA-N 378.460 5.904 50 1 GKGF Cc1cccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500195 SAUAIZBQXNNHQG-NRFANRHFSA-N 385.301 5.129 50 1 GKGF Cc1c(NC(N)=O)cccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587239102 HXIGMRZAZUDEQG-UHFFFAOYSA-N 392.353 5.686 50 1 GKGF O=C(CSc1nnc(-c2cccc(N=C=S)c2)o1)c1ccc(Cl)cc1 73196178 XZXQXZVVYIYEPS-UHFFFAOYSA-N 387.873 5.099 50 1 GKGF CCCCOc1cc2nc(/C(C#N)=C\c3ccccc3)[nH]c2cc1Br 587188940 YWCXGIKAXSCCJN-GDNBJRDFSA-N 396.288 5.568 50 1 GKGF O=C(CCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587952950 CAUXWYKWYXQXEX-UHFFFAOYSA-N 376.350 6.036 50 1 GKGF C[C@]1(C=CCl)C[C@](Cl)(CBr)[C@H](Br)C[C@@H]1Cl 2356737944 MMMYYEWTEBVZHZ-KATARQTJSA-N 399.381 5.282 50 1 GKGF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@@]5(C)C3=CC[C@]12C)OO4 2356800925 RGHBXNXDVXZQGI-QCEAEOAHSA-N 398.587 5.758 50 1 GKGF C[C@H](CCCCCCCCc1ccccc1)C[C@@]1(C)C[C@@H](C)[C@@](C)(O)OO1 49775215 YSHAXSNVWDJIDZ-HTDNTCHWSA-N 376.581 6.441 50 1 GKGF C[C@@]1(CCCCCCCCCCc2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2OO1 73332947 LBCVLXZWFGNXOB-GMKZXUHWSA-N 388.548 5.925 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 586973365 IQLYCAMMEBDAOB-SNVBAGLBSA-N 383.211 5.628 50 1 GKGF CCCCCCc1ccc2[nH]c(-c3ccc(OC)cc3)c(C=C(C#N)C#N)c2c1 35088780 WTABSTMDMRJVHF-UHFFFAOYSA-N 383.495 6.397 50 1 GKGF C=C(c1ccc(Cl)cc1)[C@H]1OOC2(CCCC2)O[C@@H]1c1ccc(Cl)cc1 95582770 JZMCXCOVEWDBMQ-WOJBJXKFSA-N 391.294 6.365 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 587042174 IQRDVAUHQNBUIB-CQSZACIVSA-N 378.391 6.610 50 1 GKGF CC[C@H](Oc1ccc(C#Cc2cc(Cl)ccc2OC)cc1Cl)C(=O)Cl 587902295 QAMIMCQJBLUREM-INIZCTEOSA-N 397.685 5.325 50 1 GKGF CCCC[C@H](CC)CC(=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)CC 2356423968 MQOXHEXIFJRZSO-XHRGMSINSA-N 382.585 6.388 50 1 GKGF COc1cccc(-c2cc(C(=O)CBr)nc3c2oc2ccccc23)c1 587359963 KFCBZORTJCNXSB-UHFFFAOYSA-N 396.240 5.234 50 1 GKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CCCCl)c1ncco1 963198949 BJHQAJILINCKNQ-GMAHTHKFSA-N 391.902 5.060 50 1 GKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1 2356479093 CJMCHLFTZMZUPT-AOHZBQACSA-N 392.580 6.776 50 1 GKGF CC1=CC[C@H]2[C@@H]([C@@H](C)CC/C=C(/C)C=O)CC[C@]2(C)C[C@H]2[C@@H]1C(=O)C[C@@]2(C)O 85552361 ZJBUGILYFJGAAU-QBILFFLGSA-N 386.576 5.277 50 1 GKGF CCCCCCCCCCCCOc1ccc(/C=C/C(=O)OCCCl)cc1 43411682 HITSFJAFLLSPSI-SAPNQHFASA-N 394.983 6.782 50 1 GKGF C[C@H]1CCC[C@H](C)N1C(=S)SSC(=S)N1[C@H](C)CCC[C@H]1C 169300711 XRORLWPRKFETCJ-KJGYPYNMSA-N 376.682 5.463 50 1 GKGF O[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccccc1Cl 587058286 FEVBHIAFRQQJTQ-ZDUSSCGKSA-N 384.757 5.955 50 1 GKGF Cc1ccc2c3c(c(CCCl)c(-c4cccs4)nc13)-c1ccccc1C2=O 587101327 FMMFWAUDOIVLOU-UHFFFAOYSA-N 389.907 6.264 50 1 GKGF CCc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587502060 ZYWWJUFNNVMDFR-JOCHJYFZSA-N 399.328 5.383 50 1 GKGF CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccco1 34802424 DSZQLLLCDWIEMW-GEXZYOHASA-N 380.469 5.214 50 1 GKGF CCCCCCCCCCCC/C=C\N(NC(=O)COC)C(=O)OC(C)(C)C 96940454 HGPVYEZKMSWGEP-ZCXUNETKSA-N 398.588 5.726 50 1 GKGF COC(=O)Nc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cn1 587245482 UHHKSFDAYAMEKQ-UHFFFAOYSA-N 394.325 5.461 50 1 GKGF O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccccc2)[C@H]1c1ccc(F)cc1 587325683 GQBKJYZBKAZDGJ-JTHBVZDNSA-N 396.845 5.111 50 1 GKGF CC(C)=CCC/C(C)=C/C[C@H]1C(C)=CC=C(C=O)[C@H]1c1ccc(N(C)C)cc1 40428830 OMVUTMPLYJWTBC-BAJDKDEMSA-N 377.572 6.620 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586882892 CPKHOFBYFODFGE-BWCYYRKRSA-N 378.410 6.688 50 1 GKGF C[C@H](Cl)C(=O)Nc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497536 IYDZRSBGNFMXCF-LFVRLGFBSA-N 397.902 5.012 50 1 GKGF O=C/C=C\c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1F 587104428 UCVUCQGPPNVQSC-ALCCZGGFSA-N 379.390 5.464 50 1 GKGF Cc1cc(C)c([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587500426 WTINIZVNCVJTCP-XDHUDOTRSA-N 382.931 5.979 50 1 GKGF Cc1ccc(C)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587689722 VGTDMIGNSOZZSG-BFUOFWGJSA-N 396.731 5.222 50 1 GKGF O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]1c1ccc(/C=C/CCCCl)cc12 103053753 CYCYYTBHXHNYDQ-PIHJRKLSSA-N 395.930 6.290 50 3 GKGF N#C/C(=C\c1ccc(OCCCN2CCCCC2)cc1)c1noc2ccccc12 40554462 XOMAQSQIPDQYHU-LVZFUZTISA-N 387.483 5.147 50 1 GKGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](Cl)c1ccccc1)[C@@H](C2)C3=O 587417273 KTVWIDVAGSNEAW-WDJPJFJCSA-N 390.866 5.318 50 1 GKGF O=C1C[C@@](CCl)(c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587496528 DQJCYFZEXDLGIR-HXUWFJFHSA-N 395.713 5.972 50 1 GKGF C[C@@]1(c2ccc(CCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545945 TYRGFJSNNZBVTC-REWPJTCUSA-N 394.854 5.051 50 1 GKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2nc3ccccc3s2)N1 962951927 JIRSREGYOZZKER-ZSEKCTLFSA-N 381.932 5.184 50 1 GKGF C[C@H](C=CC=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@@]21C 2356365339 KLMBCSCMLLUEQQ-CZLOFABXSA-N 384.604 5.788 50 1 GKGF Cc1c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905303 JZDHFDVVIHOTLR-LBPRGKRZSA-N 394.365 6.158 50 1 GKGF FC(F)(F)c1cncc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587115680 WMGUSYZMHSYHJB-UHFFFAOYSA-N 389.271 6.301 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2C(CCCCl)(CCCCl)N1 587683136 FQUIBQJDJIZMQL-NSHDSACASA-N 397.159 5.356 50 1 GKGF CC=C(C)C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@H]21)C[C@@]45C 2356317080 OTWDRWVSTSNGQX-TVNQLSFMSA-N 382.544 5.601 50 1 GKGF CCCCCCCCCCCC/C=C/N(NC(=O)COC)C(=O)OC(C)(C)C 96940452 HGPVYEZKMSWGEP-ISLYRVAYSA-N 398.588 5.726 50 1 GKGF CC(C)Oc1cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2cc1Br 587187344 FEHKWVSYLCGTRW-RIYZIHGNSA-N 382.261 5.177 50 1 GKGF CCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C=C(C#N)C#N)c2c1 35088789 RXFHXPMYUGQBRV-UHFFFAOYSA-N 393.412 6.627 50 1 GKGF Cc1ccc2c3c(cc(-c4cccc(/C=C/C=O)c4F)nc13)-c1ccccc1C2=O 586997500 YOVLEIAFBGJBSJ-FNORWQNLSA-N 393.417 5.773 50 1 GKGF COc1ccc2c(c1)[C@@](C)(c1cc(Cl)cc(CCl)c1O)N(C(C)C)CC2 962095839 XBTLUZDUEUUPCL-NRFANRHFSA-N 394.342 5.323 50 1 GKGF O=C(N/N=C/C1=Cc2ccccc2O[C@@H]1c1ccccc1)c1ccc(Cl)cc1 1772573140 KIUFKSPPMKSTNI-BHSKHCGUSA-N 388.854 5.273 50 1 GKGF S=C=NC=CCCCCCCCCCCCCCCCCCCN=C=S 2356752053 JVOMLFCLLYRLKU-UHFFFAOYSA-N 394.694 8.337 50 1 GKGF C/C(=C\C#N)N/C(=N\O)c1ccc(C)nc1Oc1ccc2oc3ccccc3c2c1 101811561 SDYGHRCQSSAYHV-RVDMUPIBSA-N 398.422 5.235 50 1 GKGF COc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Cl 586973033 FBIWFTTYWYCWRG-SNVBAGLBSA-N 379.685 5.272 50 1 GKGF CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c1C 587922494 UERPONAJTSJCQR-RQZCQDPDSA-N 383.467 5.981 50 1 GKGF O=C1c2ccccc2N(c2ccccc2)[C@@H]2SS/C(=N\c3ccccc3)[C@@H]12 1911580752 WCIMRZSTWJQEHR-UNDIGPOBSA-N 388.517 6.089 50 1 GKGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@]3(C)O)C(C=O)=CC[C@H]12 2356616325 TXEVVAPERSDMTN-CJOMPRKPSA-N 384.560 5.053 50 1 GKGF CCCCCCCCCSC(=S)NNC(=O)c1cccc2ccccc12 43411445 KKDSUZHWKLTHHI-UHFFFAOYSA-N 388.602 5.843 50 1 GKGF CCO/C=N/C1=C(C#N)[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)O1 64548392 YXFMJVLBWKOIRV-LRWFOOHYSA-N 398.462 5.001 50 1 GKGF COc1c(F)ccc(F)c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587132319 ALJYERSVFDZVIB-UHFFFAOYSA-N 386.292 6.174 50 1 GKGF Cc1cccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500196 SAUAIZBQXNNHQG-OAQYLSRUSA-N 385.301 5.129 50 1 GKGF CCCc1c(O)ccc2c1O[C@H](c1ccc(CBr)c(F)c1)CC2=O 587468017 WDDIDJJFNSXSSQ-SFHVURJKSA-N 393.252 5.085 50 1 GKGF C=C1C(C)(C)[C@@]2(Cl)[C@@H](Cl)[C@]1(Cl)C(Cl)(Cl)C2(Cl)Cl 95866428 HBQPGVWPSQGTJK-GEVIPFJHSA-N 377.353 5.506 50 1 GKGF CCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587543828 LTKRTSUGDTVSEE-OFNKIYASSA-N 394.854 5.051 50 1 GKGF COc1ccc(-c2csc(CCCC[C@@H]3CCSS3)n2)cc1OC 28823711 JZBHVOBPEGEHHE-CQSZACIVSA-N 381.588 5.694 50 1 GKGF CCOc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496874 GNPWIIYXTLZFDY-IQMFZBJNSA-N 384.903 5.452 50 1 GKGF O=P(CCCCN=C=S)(OCc1ccccc1)OCc1ccccc1 1772583808 LSURVYUTQINSCV-UHFFFAOYSA-N 375.430 5.496 50 1 GKGF CC=C(C)C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@H]21)[C@@H](C)[C@@]45C 2356433359 HSAIBHCFNQHMCX-XBOKFOQGSA-N 396.571 5.847 50 1 GKGF CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)NCCCl 26272213 BQBDMHFMVUMRNO-DEOSSOPVSA-N 394.864 5.521 50 1 GKGF C[C@@H](CC/C=C/CC/C=C/c1ccccc1)C[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 72142738 LTMUKXRJUSZQFQ-GSKUVGGXSA-N 386.532 6.187 50 1 GKGF CC1=C(C#N)[C@H](c2ccccc2OC(C)C)C2=C(O)C[C@H](c3ccccc3)CC2=N1 103996630 JLTMOIOVELDMJP-CLOONOSVSA-N 398.506 6.199 50 1 GKGF COC(C)(C)[C@H](Br)c1nc2c3ccccc3c3ccccc3c2[nH]1 586971660 VREPUOAFPUGRKN-GOSISDBHSA-N 383.289 5.730 50 1 GKGF O=C(Cl)/C=C\c1ccc(/C=C/C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279289 FSESAZZIJMDVND-POQLCMLLSA-N 381.771 5.016 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc([C@H](C)CC)cc1)CC2=O 587458641 DPWNCDZUUIDPND-CMJOXMDJSA-N 386.919 5.958 50 1 GKGF COc1ccc2c(c1)[C@H](CCNC(=O)CCCCl)C[C@H](c1ccccc1)C2 40423742 BLMCLRWCXYYWTB-WOJBJXKFSA-N 385.935 5.034 50 1 GKGF N#C/C(=C\c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1 200010106 NJDVXQRXPWCAJI-SAPNQHFASA-N 397.865 6.034 50 1 GKGF CCCCC/C=C\CCCCCCCCCCCCC(=O)OC/C(C)=C\C#N 38321711 GHNBRNPKCNRJOJ-FQOZTUROSA-N 389.624 7.817 50 1 GKGF biogenic,in-vitro C=C[C@]1(C)CC[C@@H]2O[C@]2(C)CC[C@H]2C(C)(C)[C@@H](Br)CC[C@@]2(C)O1 85840316 WJKFHIRVWBSMNS-SHAPNJEPSA-N 385.386 5.638 50 1 GKGF biogenic CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@]2(/C=C\c1ccccc1)c1ccccc1 299807202 IWLDRSHCOSMYIA-ZITOYXKESA-N 378.468 5.048 50 1 GKGF CC[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500561 SLDLSLYDMILOLA-RBBKRZOGSA-N 399.328 5.600 50 1 GKGF [C-]#[N+]C(C)(C)[C@@H]1CC[C@](C)([C@H]2CC[C@](C)([N+]#[C-])[C@H]3CC[C@@](C)(O)[C@H](Cl)[C@@H]32)O1 197281374 JQNXEHXQUMCRSH-QJUHQHJTSA-N 392.971 5.095 50 1 GKGF Cc1ccc2c3c(cc(-c4cc(CCl)cs4)nc13)-c1ccccc1C2=O 587101249 DTGHIIDLBZVEQZ-UHFFFAOYSA-N 375.880 6.222 50 1 GKGF CCCCCCc1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587418605 UIFXBHAYGKMYLD-HYBUGGRVSA-N 398.930 5.700 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(SC)cc1)CC2=O 587494370 WSRQCEMPWOULGL-FQEVSTJZSA-N 376.905 5.166 50 1 GKGF CCCn1c(C)cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587497100 HCCYAEFAHMASII-QHCPKHFHSA-N 385.935 5.493 50 1 GKGF O=C1C[C@](c2ccc(Cl)cc2)(C(Cl)Cl)Oc2c1ccc1c2CCCC1 587499530 UYKBUNYVSMZBQP-FQEVSTJZSA-N 395.713 5.883 50 1 GKGF Cc1ccccc1[C@@]1(CCCCCCl)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963017683 CFKNCEZQIZAGIQ-MHECFPHRSA-N 396.962 5.091 50 1 GKGF Cc1ccc2c3c(c4c(nc13)[C@H](Br)CCCC4)-c1ccccc1C2=O 586992918 GFQVBCBXVXVXNJ-QGZVFWFLSA-N 392.296 5.917 50 1 GKGF COc1cc2c3c(c1)O[C@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587418112 RVUAGYXDMWOHRE-UTAGQHFDSA-N 384.903 5.263 50 1 GKGF CCCCc1ccc([C@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587459219 GZYKFRHIOMLNGT-HSZRJFAPSA-N 386.919 5.787 50 1 GKGF Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)NCCc3ccc(O)cc32)cc1 963353791 SZAZTLXSVOQQMK-BJKOFHAPSA-N 377.915 5.378 50 1 GKGF C[C@](Cl)(/C=C/Br)[C@@H](Cl)/C=C/C(=C\Cl)C(Cl)Cl 44281708 WSTOEGOKMOGOKF-ZFPCQVTASA-N 387.359 5.983 50 1 GKGF O=C1[C@@H](Cl)[C@@H](c2cc3ccccc3nc2Cl)N1c1ccc(Cl)cc1 103167920 GAJHXQDEJIVBBC-JKSUJKDBSA-N 377.658 5.237 50 1 GKGF Fc1ccc2c(c1)C[C@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)O2 587174336 ONLNKTKGMYXUFH-CQSZACIVSA-N 380.313 6.036 50 1 GKGF C[C@](Cl)(/C=C/Cl)[C@@H](Cl)/C=C/[C@](Cl)(CCl)CBr 254143325 HCTBSUXDIUTHQM-XAHBVGEMSA-N 389.375 5.511 50 1 GKGF [C-]#[N+][C@H]1[C@@](C)(C=C)CC[C@@H]2C(C)(C)c3cccc4[nH]c(C(C)(C)C=C)c(c34)[C@@]12O 85599931 FDEFKOBGABILIC-XQHQYKGYSA-N 388.555 6.000 50 3 GKGF N#C/C(=C/c1ccccc1Cl)CNC(=O)Nc1ccc(Cl)c(Cl)c1 40565997 KAKLZQTWQFNWEM-XFFZJAGNSA-N 380.662 5.375 50 1 GKGF C[C@]1([C@H](Br)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500587 SRHSBHMKZDVURF-NHCUHLMSSA-N 385.301 5.426 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(Cl)c(F)c1CBr 587916223 GEJKSQXHKDBVBX-UHFFFAOYSA-N 388.063 5.436 50 1 GKGF ClCc1cc(-c2ccccc2OCc2ccc(Br)cc2)no1 13536220 WWPOLSXCEBBWCP-UHFFFAOYSA-N 378.653 5.422 50 1 GKGF CCCCCc1cc2c(c(O[Si](C)(C)C)c1)-c1cc(C)ccc1C(C)(C)O2 195796778 VUNXPEWGQXFNOL-UHFFFAOYSA-N 382.620 7.236 50 1 GKGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(CCl)cc1)[C@@H](C2)C3=O 587424280 YSJHLFKYVBVPRY-RDPSFJRHSA-N 390.866 5.125 50 1 GKGF CC[C@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1cccc2ccccc12 1857614505 CHTWMSGQUPGJEJ-PGLVWIQMSA-N 379.891 5.142 50 1 GKGF CC(C)(C)[C@]1(C(Cl)Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324562 RKAIQSVFMHHZEM-JXFKEZNVSA-N 397.273 5.479 50 1 GKGF CC(C)c1ccc(Oc2c(CCl)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587648717 GDLOQMSHUKSTML-UHFFFAOYSA-N 377.893 5.226 50 1 GKGF Cc1ccc([C@@H](Cl)[C@@]2(c3ccc(C)cc3)NCCc3ccc(O)cc32)cc1 963353793 SZAZTLXSVOQQMK-RPWUZVMVSA-N 377.915 5.378 50 1 GKGF S=C=N/C=C\CCCCCCCCCCCCCCC/C=C\N=C=S 137923473 LUVPXVZLJXVFPP-YGGBKCGDSA-N 378.651 8.071 50 1 GKGF C[C@@H]1CN(Cc2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1 170186848 RHCSBPWMBOFIJC-TZIWHRDSSA-N 376.661 5.041 50 1 GKGF O=C1C[C@H](c2ccccc2CCBr)Oc2c1ccc1c2CCCC1 587498987 KXDAROMSESQZHH-HXUWFJFHSA-N 385.301 5.209 50 1 GKGF Cn1cccc1CN1CCc2sccc2[C@@H]1CO[Si](C)(C)C(C)(C)C 962372746 JMJYNAMCBNGYJZ-SFHVURJKSA-N 376.642 5.208 50 1 GKGF C[C@]1(CC(=O)NCc2ccc(-c3ccc(F)cc3)cc2)CC2(CCCCC2)OO1 49679575 LEBNAIJUGSJHEQ-QHCPKHFHSA-N 397.490 5.313 50 1 GKGF CC(C)[C@@H]1CC[C@H]2[C@@H](CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)CCl)CCC[C@]23C)C1 299838702 QVGFCGABFLCYBJ-DGVJVFTBSA-N 399.015 5.424 50 1 GKGF CC(C)(Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587009167 YBVBVJVACPSBFZ-UHFFFAOYSA-N 399.610 6.457 50 1 GKGF C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@@H](O)C(=C)C 473128388 ZKJKEZGUTNHGBT-OBKDMQGPSA-N 385.386 5.157 50 1 GKGF Fc1cncc(Cl)c1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587175849 IVDYGIFTUXGTJM-UHFFFAOYSA-N 387.736 5.999 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(SC)cc1)CC2=O 587494371 WSRQCEMPWOULGL-HXUWFJFHSA-N 376.905 5.166 50 1 GKGF C[C@]1(c2ccc(CCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545942 TYRGFJSNNZBVTC-NFBKMPQASA-N 394.854 5.051 50 1 GKGF C=CCCCCCC[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](O)[C@@H](Cl)[C@H](C)Cl 2356643641 ZTMHOLOLVATDHU-WCBJTDJXSA-N 398.629 5.931 50 1 GKGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(CSc1ccccc1)c1ccccc1 44053221 WURFGWKURSAVKR-XXTHSBEZSA-N 398.524 5.127 50 1 GKGF ClCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 103210297 BELJXNCKIBYENW-UHFFFAOYSA-N 387.097 5.811 50 1 GKGF Cc1ccc(C)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587689724 VGTDMIGNSOZZSG-ORAYPTAESA-N 396.731 5.222 50 1 GKGF CCOC(=O)[C@@]1(C/C=C\CBr)CCCCCCCCCCC1=O 5924322 GGRMIZURVYJEGX-YAINUAMHSA-N 387.358 5.361 50 1 GKGF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586886164 DWMFUHOVSZAULC-ZBEGNZNMSA-N 392.393 6.366 50 1 GKGF CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCBr 587625864 NRUDCSJXFWBLFZ-UHFFFAOYSA-N 388.149 5.705 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(CCCl)cc2)N1 587686485 VKACCHYJYAMIBI-CWTRNNRKSA-N 396.731 5.167 50 1 GKGF C[C@H](CCCCCCCCc1ccccc1)C[C@]1(C)C[C@@H](C)[C@@](C)(O)OO1 2356509019 YSHAXSNVWDJIDZ-KOVSNXQUSA-N 376.581 6.441 50 1 GKGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](CCBr)CC3 587101529 HNNPVBINXJODGT-GFCCVEGCSA-N 378.269 5.261 50 1 GKGF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3nc(CCl)oc13)CC2=O 587462478 ZSPLYGBYAGYPCL-NRFANRHFSA-N 385.847 5.105 50 1 GKGF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587272933 BMXNPWODCACXPH-QMMMGPOBSA-N 397.329 5.129 50 1 GKGF O=C(CN1c2ccccc2Sc2ccccc21)N/N=C\c1ccc(Cl)cc1 33384105 NCVYEHIMKMRBGA-QRVIBDJDSA-N 393.899 5.093 50 1 GKGF Oc1cc(CCl)nc2c(-c3cccc4ccccc34)c(C(F)(F)F)nn12 66123482 FZGZKWDUUMLQRL-UHFFFAOYSA-N 377.753 5.013 50 1 GKGF O=C1C[C@@](CCl)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587498880 PZUAAHVQEDEBFO-HXUWFJFHSA-N 395.713 5.972 50 1 GKGF C=C(CC[C@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCCC2)OO1 43356603 NTQUAEOCUORVMR-GOTSBHOMSA-N 380.484 5.341 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2C(CCCCl)(CCCCl)N1 587685416 QNQJLERGZJUNHD-NSHDSACASA-N 397.159 5.356 50 1 GKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 2356479095 CJMCHLFTZMZUPT-WMTXJRDZSA-N 392.580 6.776 50 1 GKGF CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(C(=O)CCl)n2C1 66122998 VTCFHPGALJKULJ-UHFFFAOYSA-N 398.333 6.479 50 1 GKGF COc1cccc(-c2cc([C@@H](Cl)c3ccccc3)nc3c2oc2ccccc23)c1 587359479 YUKCTMZWGLJMDK-QHCPKHFHSA-N 399.877 6.985 50 1 GKGF O=[N+]([O-])c1ccc2c(CCBr)c(-c3ccc(Cl)cc3)[nH]c2c1 587643423 FDGGOGOMQYXCCL-UHFFFAOYSA-N 379.641 5.334 50 1 GKGF C[C@H](Cl)[C@@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587689831 WUPGETWLNBKBIW-QHRIQVFBSA-N 396.731 5.188 50 1 GKGF C=C(C)[C@H]1C[C@]2(C)C[C@@H](O2)[C@H]1CC(=C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 2356444164 NFNFPHXXILVTBW-BWGCIZRJSA-N 383.370 5.007 50 1 GKGF CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1Cl 103183500 AMGIERNTMSYGFH-UHFFFAOYSA-N 399.705 5.233 50 1 GKGF Cc1cc(-c2csc(C(C#N)=C3CCCCC3)n2)c(C)n1-c1ccccc1F 587922767 UCKGOFWLFBPHDE-UHFFFAOYSA-N 391.515 6.598 50 1 GKGF C[C@H]1CCC[C@@H](C)N1C(=S)SSC(=S)N1[C@@H](C)CCC[C@H]1C 45256974 XRORLWPRKFETCJ-KPWCQOOUSA-N 376.682 5.463 50 1 GKGF CC[C@H](Oc1ccccc1F)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587155590 MONGYEIRTRBQGK-AWEZNQCLSA-N 396.356 6.890 50 1 GKGF CCCCCCCCc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CCl)cc1 587638779 PUMSZTYYWPGRGS-UHFFFAOYSA-N 397.946 7.175 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Cl)c2ccccc2)N1 587689228 QZYGQRBJWNFQIO-VQTKTOELSA-N 382.704 5.318 50 1 GKGF Fc1cccc2c1[C@H](c1ccccc1S(F)(F)(F)(F)F)N1CCC[C@@H]1C2 963101838 MESNUNXSMZNSJE-ACJLOTCBSA-N 393.396 6.593 50 1 GKGF C[C@H](Cl)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1 587626431 SRJTVQSGHXUEIN-VIFPVBQESA-N 391.742 7.172 50 1 GKGF CC(=CC(Cl)Cl)[C@H](Br)C=C[C@](C)(Cl)CBr 2356754011 XYWJXYNATGBZQB-SCZZXKLOSA-N 399.381 5.449 50 1 GKGF O=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@H](CCl)c2c1ccc1[nH]ccc21 96913713 VZPWDHJYPPDQTA-LBPRGKRZSA-N 384.266 5.285 50 1 GKGF Cc1ccc2c3c(c4c(nc13)[C@H](CCBr)CC4)-c1ccccc1C2=O 586993805 PTIYPUURFIBZNB-ZDUSSCGKSA-N 392.296 5.569 50 1 GKGF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587272931 BMXNPWODCACXPH-MRVPVSSYSA-N 397.329 5.129 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(CCl)cs2)N1 587844996 CVPSMGGRMCVCNH-FVMDXXJSSA-N 388.733 5.186 50 1 GKGF Cc1ccc(-c2cc3c(n2-c2ccnc(CCl)n2)CC(C)(C)CC3=O)cc1 587941584 WMCZOUUZBQTYDA-UHFFFAOYSA-N 379.891 5.137 50 1 GKGF COC(=O)C[C@]1(C)C[C@@](C)(C[C@@H](C)CCCCCCc2ccccc2)OO1 85666472 RYNXSVDLWWRGRW-WWPVKYPJSA-N 376.537 5.638 50 1 GKGF biogenic Cc1cc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c1CCl 587103359 GFBALMAKEMRNKS-UHFFFAOYSA-N 397.905 6.777 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(Cl)Cl)(C(C)(C)C)N1 587690106 ZDVFYELVSYZZCJ-ANRSDYALSA-N 383.132 5.168 50 1 GKGF CC(=C\Cc1ccccc1)/C=C(\C)C[C@@H](C)C[C@@]1(C)C[C@@](C)(/C=C/C(=O)O)OO1 653821013 IUHGNCFOLJSJIH-XFDOGKDDSA-N 398.543 6.048 50 1 GKGF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)C[C@@](C)(C=CC=O)CC[C@]12C 2356614030 FISNANYLARCGOG-NKMLHZSHSA-N 398.631 6.776 50 1 GKGF O=C(N/N=C/c1cccc2cnccc12)[C@H]1C[C@@H]1c1ccc(-c2ccccc2)cc1 95576481 ZDAVKLKMQSLIKR-KOKHMRAOSA-N 391.474 5.156 50 1 GKGF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc(CBr)c1)CC2=O 587469121 WKGSICDVUXWNJB-GOSISDBHSA-N 393.252 5.085 50 1 GKGF O=C1C[C@@](C2CC2)([C@H](Cl)c2ccccc2F)Oc2c1ccc1c2CCCC1 587500780 CVYLMTKYTFBNOO-DHIUTWEWSA-N 384.878 5.799 50 1 GKGF COc1ccc(Cl)cc1C#Cc1c(CBr)ccc2ccccc12 587897926 AKCRCRAEAPMISG-UHFFFAOYSA-N 385.688 5.797 50 1 GKGF C=C[C@]1(C)CC[C@H](O)[C@](C)(CC[C@@H]2C(=C)CC[C@H](Br)C2(C)C)O1 2356787957 BUCNKNNXFZPNMG-QQBOBMDFSA-N 385.386 5.397 50 1 GKGF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(CC#C[C@H](C)Br)cc1OC2(C)C 27755629 HFQLAXKYDSXFCZ-UAGQMJEPSA-N 389.333 5.332 50 1 GKGF O=C1[C@H](Cl)[C@@H](c2cc3ccccc3nc2Cl)N1c1ccc(Cl)cc1 103167924 GAJHXQDEJIVBBC-HZPDHXFCSA-N 377.658 5.237 50 1 GKGF O=C=Nc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508724 WVDZEIRSQBDFCJ-AREMUKBSSA-N 395.458 5.442 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(CCCl)cc2)N1 587681805 AYCDFXXHWVQQJQ-BUXKBTBVSA-N 396.731 5.167 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(CCCl)cc2)N1 587686480 VKACCHYJYAMIBI-BLVKFPJESA-N 396.731 5.167 50 1 GKGF CC1(C)CCC[C@]2(C)[C@H]1CC=C(CO[Si](C)(C)C(C)(C)C)[C@]21COC(=O)O1 2356769641 KPAXDJKUQPPHMF-MTNREXPMSA-N 394.628 6.077 50 1 GKGF C=C1CC[C@@H](Br)C(C)(C)[C@]12CC[C@@](C)(Br)[C@H](Cl)C2 85951555 ZLKDKQRNGQWCDI-GBOPCIDUSA-N 398.610 6.057 50 1 GKGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@H]1CCC2=NNC(=O)c1ccncc1 2356744522 NWHPXJRIVOPQQQ-QIPSTXGNSA-N 393.575 5.600 50 1 GKGF O=C1[C@@H](Cl)[C@H](c2cc3ccccc3nc2Cl)N1c1ccccc1Cl 103167905 SLLCYDORYMODFK-HOTGVXAUSA-N 377.658 5.237 50 1 GKGF CC(C)=CCC[C@H](C)C1=CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]12 238751514 YVGINRGIDPTPQF-NYODDEOISA-N 384.560 5.197 50 1 GKGF CCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587543826 LTKRTSUGDTVSEE-NFBKMPQASA-N 394.854 5.051 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CCCCl)c(C)c1 587902578 ZJPACDFXPUXVKM-UHFFFAOYSA-N 376.283 5.014 50 1 GKGF Clc1ccc2c(c1)Sc1cccnc1N2CCCCCCBr 653704621 QOGSABAUZBGLHY-UHFFFAOYSA-N 397.769 6.293 50 1 GKGF C[C@H](CC/C=C/CC/C=C/c1ccccc1)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 44431528 LTMUKXRJUSZQFQ-ZOJQEWOTSA-N 386.532 6.187 50 1 GKGF Cc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@@H](c3ccc(C)cc3)N2C(=O)CCl)cc1 169318583 ZBCVQQXIRKHYLH-FHQLIMNDSA-N 383.919 5.008 50 1 GKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc3nc(CCl)oc23)N1 962954413 RCOJIPLFINCDKX-XMHCIUCPSA-N 379.891 5.236 50 1 GKGF COC(=O)c1ccc(Oc2ccc3nc(/C(C#N)=C/c4ccccc4)[nH]c3c2)cc1 587187428 GLICVJMJCSGVPM-QGOAFFKASA-N 395.418 5.206 50 1 GKGF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(SC#N)cc1 587863959 UTSJOKKNMPIYNO-UHFFFAOYSA-N 375.375 5.140 50 1 GKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2nc3ccccc3s2)N1 962951918 JIRSREGYOZZKER-ASSNKEHSSA-N 381.932 5.184 50 1 GKGF C[C@H](C=Cc1ccccc1)CC=C[C@H](C)C[C@]1(C)C[C@H](C)[C@@H](CC(=O)O)OO1 2356480193 SKVQYCUESXDYRX-YBKYHCMSSA-N 386.532 5.898 50 1 GKGF CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2C=CC(C=O)=C[C@@]12C 14494145 ISTWYNFFPIEGFP-ZNKBMSFDSA-N 398.587 5.888 50 1 GKGF CC[C@@H](c1ccc(O)cc1)[C@@H](CCI)c1ccc(O)cc1 25967150 KMOUPDMGFJLHJS-ROUUACIJSA-N 396.268 5.200 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2cccs2)N1 587847233 JRQXWGCUTJQJTL-QFYYESIMSA-N 388.733 5.056 50 1 GKGF CCc1cc(S(F)(F)(F)(F)F)cc2c1O[C@@H](C(F)(F)F)C(C(=O)O)=C2 1772626637 LFEYXCXOYJHQMW-LLVKDONJSA-N 398.271 5.698 50 1 GKGF O=C(N/N=C/C1=Cc2ccccc2O[C@H]1c1ccccc1)c1ccc(Cl)cc1 1772573142 KIUFKSPPMKSTNI-IBUSPFOHSA-N 388.854 5.273 50 1 GKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CC[C@@H]([C@H](C)C(=O)O)OO1 2356479096 CJMCHLFTZMZUPT-WPFOTENUSA-N 392.580 6.776 50 1 GKGF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1ccc(/C=C/CCCCl)cc12 103053748 CYCYYTBHXHNYDQ-LQDMMPEDSA-N 395.930 6.290 50 1 GKGF Cc1cc(/C=C/C#N)cc(C)c1Nc1ccc(F)c(Nc2ccc(F)cc2)n1 149955609 AYDIZUZZOKOHOZ-ONEGZZNKSA-N 376.410 6.001 50 1 GKGF C[C@H](C(=O)N/N=C/c1ccccc1Cl)c1ccc(-c2ccccc2)c(F)c1 103200283 PZCINLVHKGPQIO-CAUYNWHBSA-N 380.850 5.400 50 1 GKGF CCCCCC[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498628 IRWWYDKBPPKLJS-FQEVSTJZSA-N 379.338 5.635 50 1 GKGF C[C@@]1(c2cccc(CCl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542978 KIFCNXHRIYIDNU-UGKGYDQZSA-N 380.827 5.008 50 1 GKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccccc1F 587569725 SBMMDQJTPPTGFY-UGKGYDQZSA-N 398.817 5.017 50 1 GKGF COC(=O)C[C@@]1(C)C[C@](C)(C[C@@H](C)CCCCCCc2ccccc2)OO1 44386881 RYNXSVDLWWRGRW-VJBMBRPKSA-N 376.537 5.638 50 1 GKGF O=C(/C=C\c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Nc1ccccc1 587245317 VWBJMLOSVHGKGF-HJWRWDBZSA-N 389.349 5.872 50 1 GKGF C=C(c1cccc(Br)c1)N(C(=O)CCl)c1c(C)cccc1C 103198605 QXOAAIXKYBMACP-UHFFFAOYSA-N 378.697 5.309 50 1 GKGF CO/C(CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)=C1\C(=O)C=C(C)C1=O 195147918 HQCWWVHDHGBBCG-FMQUCBEESA-N 386.564 5.002 50 1 GKGF Nc1c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc2ccccc12 587253379 KARJPFFIEMGRGX-UHFFFAOYSA-N 385.361 6.623 50 1 GKGF COc1cc2c3c(c1)O[C@](CCl)(c1c(C)c(C)c(C)c(C)c1C)[C@@H](C2)C3=O 587416991 HQBXUOABBSCPDD-MBSDFSHPSA-N 384.903 5.119 50 1 GKGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587497700 KRSJJOZBQLDPQY-IZHWHUGBSA-N 380.915 5.542 50 1 GKGF O=C1C[C@](CCl)(Cc2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 587508144 SHFQOKSKUZNKAM-NRFANRHFSA-N 393.285 5.543 50 1 GKGF COc1ccc(Cl)c2c1CCN[C@@]2(CCl)c1ccc(Cl)c(Cl)c1 963259083 RGBCTUINRDKCNE-KRWDZBQOSA-N 391.125 5.284 50 1 GKGF CCCCCCCCCCCCCCC[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 2356430066 DMBDTNGFFBGPRP-WWNPGLIZSA-N 382.585 6.653 50 1 GKGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1cccc2ccccc12 64379341 NIMQYHSEQDFZDG-QHCPKHFHSA-N 388.430 5.064 50 1 GKGF CCC=CCC=CC=CCCCCCC[C@@]1(C)C[C@@](C)(CC(=O)OC)OO1 2356645563 VQZBTDHEXDPHRH-XZOQPEGZSA-N 378.553 6.228 50 1 GKGF COc1ccc(CSCCCSSCc2ccc(OC)cc2)cc1 73197644 SANAHNPPJDHZKE-UHFFFAOYSA-N 380.600 5.909 50 1 GKGF COc1ccc(Cl)c2c1CCN[C@]2(CCl)c1ccc(Cl)c(Cl)c1 963259088 RGBCTUINRDKCNE-QGZVFWFLSA-N 391.125 5.284 50 1 GKGF C[C@@](Cl)(C=CBr)[C@H](Cl)C=CC(=CCl)C(Cl)Cl 2356588481 WSTOEGOKMOGOKF-PSASIEDQSA-N 387.359 5.983 50 1 GKGF O=[N+]([O-])c1ccc2c(CCCl)c(-c3ccc(Br)cc3)[nH]c2c1 587644095 MPXABBYGZHQMLH-UHFFFAOYSA-N 379.641 5.287 50 1 GKGF C/C(C=O)=C\CC/C(C)=C/CC/C(C)=C/Cc1c(O)c2ccccc2oc1=O 15215627 BRIDRHNPTZTJFO-QTUSMQKXSA-N 380.484 5.639 50 1 GKGF C/C(=C/C(=O)N(C)c1ccccc1Cl)O[Si](C(C)C)(C(C)C)C(C)C 195518057 ZXWAXYAKVRPPNO-LGMDPLHJSA-N 382.020 6.399 50 1 GKGF CCCCCCc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372391 KYFQICCGGOSGHS-BXKMTCNYSA-N 399.962 6.188 50 1 GKGF CCC=CC=CC=CCCCCCCCC[C@@]1(C)C[C@@](C)(CC(=O)OC)OO1 2356648634 KQFXTDFWOPMDIE-BJKOFHAPSA-N 392.580 6.618 50 1 GKGF CCC=C[C@H](CC)C[C@H](CC)C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356742661 QAMYVKULCKIRQZ-IUHILOBXSA-N 382.585 6.244 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586972940 CWCMNRPRNOYVDD-QMMMGPOBSA-N 385.092 5.311 50 1 GKGF CC1(C)CCC(C)(C)c2cc(C(=O)/C=C/c3ccc(C(=O)Cl)cc3)ccc21 27988056 IPEHPTIQHIWVLQ-KPKJPENVSA-N 380.915 6.311 50 1 GKGF O=C(CCCC[C@H]1CCSS1)OC1CCN(CC2CCCCC2)CC1 95585478 DYUJVAJDHIDLLE-IBGZPJMESA-N 385.639 5.288 50 1 GKGF CC1=NC(C)=C(C#N)[C@@H](c2ccc3[nH]nc(SCc4ccccc4)c3c2)[C@@H]1C#N 169694576 XFEMCDUWLDLTMA-KNQAVFIVSA-N 397.507 5.351 50 1 GKGF Cc1cc2c(cc1F)[C@](CCl)(c1ccc3c(c1)-c1ccccc1C3)NCC2 962094782 SNKNOXKBUNHGRI-DEOSSOPVSA-N 377.890 5.333 50 1 GKGF C[C@]1(C(Cl)Cl)[C@@H]2[C@H](Cl)[C@H](Cl)[C@]1(C(Cl)Cl)C[C@H]2Cl 2356515615 UOGZWWISWPADQM-UVYZJWAUSA-N 379.369 5.442 50 1 GKGF C[C@@H]1CC[C@H]2CCO[C@@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@@]23OO4 43872153 AWWQKXVEUVMHGL-RTPGJASESA-N 392.923 5.279 50 1 GKGF CCCCC[C@H](/C=C/C=C\CCCCCCCC(=O)OC)O[Si](C)(C)C 238748946 CKJJXCPHFROKCV-GSYJHZQOSA-N 382.661 6.803 50 1 GKGF CC1(C)COc2c(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cccc21 586912934 XZJBTWBJCVNHKN-UHFFFAOYSA-N 390.377 6.557 50 1 GKGF CC(=O)O[C@H](C=C(C)C)CC(C)=C1CC[C@](C)(Br)[C@@H](Cl)C1 2356426072 OSZNJZCBXHOYRJ-IKGGRYGDSA-N 377.750 5.536 50 1 GKGF COC(C)(C)[C@@H](Br)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586970817 HJZGMBHUDIGAAH-INIZCTEOSA-N 375.266 5.216 50 1 GKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1ccc(N)c(Nc2ccc(C#N)cc2)n1 66259660 DVOKCMOHZMVKAD-ONEGZZNKSA-N 381.439 5.225 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)([C@@H](C)Cl)CC2=O 587461072 WEGWDEDCWMSXDQ-DMZKTXOQSA-N 383.875 5.314 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(Cl)Cl)(C(C)(C)C)N1 587686053 BUKBSGBEZNCXNT-VXJOIVPMSA-N 383.132 5.168 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Cl)c2ccccc2)N1 587689780 WDBFBHJOKDWZSR-HWOJHCLVSA-N 382.704 5.318 50 1 GKGF CCCCCC=C[C@H](CCCCCCCC=CC=CC(=O)NCC(C)C)OO 2356488588 SWLNXMJZQXZBCB-HSZRJFAPSA-N 393.612 6.596 50 1 GKGF Cc1ccc([C@@]2(CCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546039 UUXVIEFQVLDOJS-NFBKMPQASA-N 394.854 5.187 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc(N=C=S)ccc1Br 587919108 SIKQFKBDIWHPQO-UHFFFAOYSA-N 378.678 5.245 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccc(F)cc1F)CC2=O 587465209 BWGVASWKNKSQRV-HXUWFJFHSA-N 380.818 5.113 50 1 GKGF CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3ccc(SC)cc3)cs2)c1C 587924631 GQGRYVZOWLVLPY-XDHOZWIPSA-N 393.581 6.425 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(C(C)C)c1C)CC2=O 587459924 QPNMDLLWWKMCQL-QFIPXVFZSA-N 389.923 5.443 50 1 GKGF CN(C)c1ccc([C@@H]2CC(c3ccc4c(c3)Cc3ccccc3-4)=CC=C2C=O)cc1 40976150 ODGYSLPQFKQRLE-NDEPHWFRSA-N 391.514 6.020 50 1 GKGF CC(C)(SCC(=O)O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586959901 SNVNENKCKQOZDT-UHFFFAOYSA-N 376.372 5.273 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(CBr)cc1)CC2=O 587455854 GXULDWRDUPVWFR-HXUWFJFHSA-N 389.289 5.120 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@H](C)Cl)CC2=O 587461456 XKASNYAYXFSDOB-YUNKPMOVSA-N 379.283 5.486 50 1 GKGF O=N[C@@H](Cl)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500211 YUNITLBOOHSUSM-UXHICEINSA-N 390.266 5.411 50 1 GKGF O=C(O)c1cccc2c(CCl)c(-c3ccc(Br)cc3F)[nH]c12 587637435 IWEVRHLXYIKYKT-UHFFFAOYSA-N 382.616 5.174 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(CCl)cs2)N1 587846880 JFNOPHWHIMUYET-ABKXIKBNSA-N 388.733 5.186 50 1 GKGF Cc1ccccc1[C@]1(CCCCCCCl)c2c(F)cccc2C[C@H]2CCCN21 963110353 MVDULOZDHNQEHG-PXDATVDWSA-N 399.981 6.588 50 1 GKGF CSc1ccc([C@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc1 1857559736 JCSHGQPWDYRCOG-LJQANCHMSA-N 378.884 5.433 50 1 GKGF CCCC[C@H](CC)CC(=C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1)CC 2356423965 MQOXHEXIFJRZSO-BWKHYTDRSA-N 382.585 6.388 50 1 GKGF CCC=CC[C@H](C=CC=CC=C[C@@H](CC=CCC=CCCC(=O)O)OO)OO 2356774550 ALQAYVWWNWCFEN-NHCUHLMSSA-N 392.492 5.485 50 1 GKGF C=CCCC1=NC[C@H](O[Si](C)(C)C(C)(C)C)c2cc(OC)c(OC)cc21 195519512 BFQCZPDFEOHOHK-FQEVSTJZSA-N 375.585 5.536 50 1 GKGF Cc1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 587187892 MLTSHEUSLFJFQM-SDQBBNPISA-N 395.306 5.973 50 1 GKGF CCCCOc1cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2cc1Br 587188946 YWCXGIKAXSCCJN-XNTDXEJSSA-N 396.288 5.568 50 1 GKGF CC(=CCc1ccccc1)CCC[C@H](C)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 2356462163 IDTXMDHREDKNGT-SJROBZAFSA-N 386.532 5.557 50 1 GKGF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@H]2C=CC(C=O)=C[C@]12C 85885119 ISTWYNFFPIEGFP-YOVPOVIRSA-N 398.587 5.888 50 1 GKGF biogenic CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@@]5(C)C3=CC[C@@]12C)OO4 2356800928 RGHBXNXDVXZQGI-YSGCURHHSA-N 398.587 5.758 50 1 GKGF C#CC=CCC(Br)=C1C[C@@H]2C[C@H](CC)[C@H](Br)C[C@H]2O1 2356850546 PQYMHWIWKZHKFO-DDHJSBNISA-N 388.143 5.161 50 1 GKGF CC(C)CCC[C@H](C)CCC[C@@H](C)CCCC1=CC[C@@H]2C(=O)OC(=O)[C@@H]2C1 169330662 UJZSKNNWYHCFEO-YUVXSKOASA-N 376.581 6.462 50 1 GKGF N#Cc1c(CCl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n2ccccc12 587496535 DRLBGTSSASKOFZ-OAQYLSRUSA-N 390.870 5.135 50 1 GKGF O=C1[C@@H](Cl)[C@H](c2ccccc2Cl)N1Nc1ccnc2cc(Cl)ccc12 1772644312 JOHKPXOETBUGSL-IRXDYDNUSA-N 392.673 5.059 50 1 GKGF COc1cc2c3c(c1)O[C@](c1ccc(C(C)(C)C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587418078 RVUAGYXDMWOHRE-LBDOCTSOSA-N 384.903 5.263 50 1 GKGF C[C@H](Cl)[C@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508557 WIIQRYUJPBYNDQ-QKVFXAPYSA-N 376.830 5.332 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccccc2)N1 587686401 UWNTVQJQGSOUSE-YJYMSZOUSA-N 396.731 5.385 50 1 GKGF CC1(C)C[C@@H]([C@@]23CC[C@@](C)(O2)[C@H](Br)C3)CC[C@@H]1Br 85855408 BUMRFOKGCWFBRD-OBORUHMCSA-N 380.164 5.051 50 1 GKGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@]2(CSc1ccccc1)c1ccccc1 253680006 WURFGWKURSAVKR-FCJDFRRUSA-N 398.524 5.127 50 1 GKGF O=C(c1ccc(S(F)(F)(F)(F)F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280284 RBGPBYRHMNYOMR-UHFFFAOYSA-N 393.289 6.229 50 1 GKGF Cc1cc(/C=C/C#N)cc(C)c1Nc1ccc(F)c(Nc2ccc(Cl)cc2)n1 653729217 HEQRFUNMBIYHTM-ONEGZZNKSA-N 392.865 6.515 50 1 GKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@]1(C)C[C@]2(C)OC(=O)C[C@H]2OO1 2356610697 UYFIHBHPIJKAMI-LSAVBLLPSA-N 398.543 5.723 50 1 GKGF CC[C@H](Br)[C@@H]1CC=CC[C@@H]2C[C@@H](C=C=CBr)C[C@H]2O1 2356791140 GLBSRSSXAMOFRL-WYISCDKGSA-N 390.159 5.354 50 1 GKGF C[C@]1(/C=C/Cl)C[C@](Cl)(CBr)[C@@H](Br)C[C@H]1Cl 42804720 MMMYYEWTEBVZHZ-MZXHXKKRSA-N 399.381 5.282 50 1 GKGF CC(C)c1ccc([C@@]2(CCl)c3ccsc3CCN2Cc2cccnc2)cc1 962989931 AXQNZOBWUBYGTF-QHCPKHFHSA-N 396.987 5.807 50 1 GKGF COc1ccc([C@@H]2CC3=NC(C)=C(C#N)[C@H](c4cccc(F)c4)C3=C(O)C2)cc1 104693230 KFUDEKWTFOAEBE-HXOBKFHXSA-N 388.442 5.560 50 1 GKGF CC(C)(C)c1ccc([C@H](Cl)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 169348983 DQQBSEXDZZAMQF-FQEVSTJZSA-N 376.891 5.718 50 1 GKGF CC1(C)[C@H]2CC[C@]3(C)OC[C@H]4O[C@@]4(C)CC[C@H]3[C@]2(C)CC[C@H]1Br 238759497 VTZMWPJTIZYVCP-QWLKJYMTSA-N 385.386 5.329 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)c(C)c(C)c1C)CC2=O 587461020 VWFCWCAXCFUBFL-QHCPKHFHSA-N 386.919 5.678 50 1 GKGF CCCCCCS[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 1857565649 DDGLJMZWPOCFNF-RLEROFIGSA-N 384.582 5.508 50 1 GKGF CC1=C(/C=C/C2=CC=C(C=O)[C@H](c3ccc([N+](=O)[O-])cc3)C2)C(C)(C)CCC1 40429120 OEGLSXQZTRNIHW-PTHHNIJRSA-N 377.484 6.217 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)[nH]c3ccccc13)CC2=O 587458410 BAXWHFJFDMBHJP-JOCHJYFZSA-N 383.875 5.234 50 1 GKGF O=C(O)c1cccc2c1CCN[C@H]2c1ccc(S(F)(F)(F)(F)F)cc1F 963125265 SNPCYVAOWDYZBC-OAHLLOKOSA-N 397.340 5.416 50 1 GKGF N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)s1)c1nc2ccccc2s1 1857641174 UWEHGJNQYLYYNL-RVDMUPIBSA-N 388.473 5.787 50 1 GKGF CC1=C(CCC(C=O)=CC=CC2=CC(=O)O[C@@H]2O)[C@]2(C)CCCC(C)(C)[C@H]2CC1 2356630811 FMCDEBKDPYNHPK-VTZPFEBOSA-N 398.543 5.193 50 1 GKGF C=C(c1ccc(C2CCCCC2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 138843643 GIWKSRPOGZASOC-IEMRJBAFSA-N 394.555 6.247 50 1 GKGF in-vivo C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@H](O)C(=C)C 473128387 ZKJKEZGUTNHGBT-DEPCRRQNSA-N 385.386 5.157 50 1 GKGF CC[C@H](Br)[C@@H]1CC=CC[C@@H]2C[C@H](C=C=CBr)C[C@@H]2O1 2356791138 GLBSRSSXAMOFRL-ARQZAONXSA-N 390.159 5.354 50 1 GKGF C[C@H]1CCC[C@@H](C)N1C(=S)SSC(=S)N1[C@H](C)CCC[C@H]1C 45256981 XRORLWPRKFETCJ-SYQHCUMBSA-N 376.682 5.463 50 1 GKGF C[C@H](SCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586962559 GBIAMSVIAAKSIA-NSHDSACASA-N 394.434 7.215 50 1 GKGF CCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587685005 NMKAZGDKIHLODM-BLVKFPJESA-N 396.731 5.167 50 1 GKGF CC(C=O)=CCCC(C)=CCC[C@@]1(C)C=Cc2c(c3ccccc3oc2=O)O1 2356673565 PIQNDZNEMYTFJC-DEOSSOPVSA-N 378.468 5.609 50 1 GKGF O=C1c2ccccc2-c2c(CCCl)c(-c3cccs3)nc3ccc(O)c1c23 586994437 RZGATDYNSGDPFJ-UHFFFAOYSA-N 391.879 5.662 50 1 GKGF Cc1ccc(/C=C(\C#N)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 587189092 ZSLYOUOUOBQMFP-OVCLIPMQSA-N 396.288 5.485 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1F)([C@@H](C)Cl)CC2=O 587466970 OKHLTPOXHXBLLJ-GIPWTMENSA-N 380.818 5.111 50 1 GKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccccc1 587543468 KPLNHXBTKRYKCA-OFNKIYASSA-N 394.854 5.268 50 1 GKGF CC/C=C/C=C/C=C/CCCCCCCC[C@]1(C)C[C@](C)(CC(=O)O)OO1 44361109 MIXTVNJOFJIRKQ-UGEDBMCTSA-N 378.553 6.530 50 1 GKGF CCc1oc2ccccc2c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586904005 PIOQRKVHEIDWNR-UHFFFAOYSA-N 388.361 7.196 50 1 GKGF Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499515 UQXYIUOMKQAKCM-NPMABZOXSA-N 399.918 5.201 50 1 GKGF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587950715 CGCUYHBMYLIPET-MKBNYLNASA-N 398.441 7.267 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccc(Cl)cc1)CC2=O 587458347 AKHPDSAPTCHFII-HXUWFJFHSA-N 379.283 5.488 50 1 GKGF Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587541891 DSWCNDOSTKPFDZ-OFNKIYASSA-N 394.854 5.105 50 1 GKGF C/C(=C\C#N)c1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1 1492048 YRLAKNZUGZVXIL-OVCLIPMQSA-N 380.455 5.379 50 1 GKGF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC[C@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 140299792 SQNNYRWDFNZPBJ-KHQJZPMISA-N 392.580 6.155 50 1 GKGF Nc1ccc(C(=O)CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587251441 HJEDKFIHMXCEMI-UHFFFAOYSA-N 391.365 5.618 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](Cl)c1ccccc1)O2 587370769 BPYCNTINJXJUPH-XZOQPEGZSA-N 377.871 5.418 50 1 GKGF C[C@@H](C(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(-c2ccccc2)c(F)c1 103198821 HZKNJMZCSFYRGF-PVLQNKMRSA-N 380.850 5.400 50 1 GKGF Cc1cc(/C=C/C#N)cc(C)c1Nc1ncc(F)c(Nc2ccc(C#N)cc2)n1 209010902 MOGRYZXPCDDBMX-ONEGZZNKSA-N 384.418 5.128 50 1 GKGF Oc1cccc(CCCCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586895819 AIFQSSINFDNOHG-UHFFFAOYSA-N 392.393 6.491 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N=C=S)cc2)N1 587843587 IQZFXBCMZVZAPY-ZMZPIMSZSA-N 391.309 5.120 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)c1c[nH]c2cc(OC)ccc12 963228064 KMHVOMXTBGYLEO-WAIKUNEKSA-N 382.935 5.316 50 1 GKGF Fc1cc(Cl)ccc1C[C@H](Br)c1cc2c3c(cccc3n1)CC2 587210249 LFEJTXDDITXANP-HNNXBMFYSA-N 390.683 5.805 50 1 GKGF O=C(NN=C(c1ccccc1)c1ccccc1)Nc1ccc(Br)cc1 1659593 SBDAHZJKBARKSX-UHFFFAOYSA-N 394.272 5.023 50 1 GKGF Cc1ccc(NC(=O)CCC2CCCCC2)cc1/C=C(\C#N)c1ccc(O)cc1 38966906 XSJQTFSLXWFHHQ-PXLXIMEGSA-N 388.511 6.064 50 1 GKGF C/C(=C\CO)CC[C@@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]21C 140611494 VUFPGDSZNJURQC-JUFKOCTOSA-N 387.402 5.072 50 1 GKGF CCCCCC=CCC[C@H](CCCCCCCC(=O)OC)O[Si](C)(C)C 2356610841 ZUPXSCMRFYXOOJ-OAQYLSRUSA-N 384.677 7.027 50 1 GKGF CC(=O)O[C@H](C)CCCCCCCCCCCCCCC1=C(C)C(=O)OC1=O 85858405 BYWBPIURBJYJMO-GOSISDBHSA-N 394.552 5.799 50 1 GKGF biogenic Cc1ccc(/C(=N\NC(=O)c2ccccc2Nc2ccccc2)c2ccccc2)o1 202989934 BNUBFSYSWRAFDV-PNHLSOANSA-N 395.462 5.514 50 1 GKGF CCC[C@H](/C=C/C=C\CCCCCCCc1cccc(O)c1C(=O)O)OO 44406798 XJLJKGBUSUTUMJ-URINQWBNSA-N 376.493 5.744 50 1 GKGF CCCCCC[C@H](CC=CCCCCCCCC(=O)OC)O[Si](C)(C)C 2356583727 FEUQNCSVHBHROZ-OAQYLSRUSA-N 384.677 7.027 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586882896 CPKHOFBYFODFGE-ORMQQPANSA-N 378.410 6.688 50 1 GKGF CCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587685014 NMKAZGDKIHLODM-HXPMCKFVSA-N 396.731 5.167 50 1 GKGF CCC=CC=CC=CCCCCCCCC[C@]1(C)C[C@@]2(C)OC(=O)C[C@H]2OO1 2356550040 AXDQPRBNYTZNDV-GMKZXUHWSA-N 390.564 6.371 50 1 GKGF COC(=O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=O 2356575777 AXJDLEYLECTZDP-UHFFFAOYSA-N 378.512 5.925 50 1 GKGF CCCCCCCCCCCCCCC[C@]1(C)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356430065 DMBDTNGFFBGPRP-MDNUFGMLSA-N 382.585 6.653 50 1 GKGF C[C@H](C=Cc1ccccc1)CC=C[C@H](C)C[C@]1(C)C[C@@H](C)[C@@H](CC(=O)O)OO1 2356480190 SKVQYCUESXDYRX-FDHDAJFTSA-N 386.532 5.898 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586974077 QGNSSHKUXDCHSC-MRVPVSSYSA-N 385.092 5.311 50 1 GKGF CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 299871783 ZGHBQXCLKFJGQJ-NTEUORMPSA-N 385.298 5.780 50 1 GKGF O=C(Cl)/C=C/c1ccc(/C=C/C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279283 FSESAZZIJMDVND-NXZHAISVSA-N 381.771 5.016 50 1 GKGF CC1(C)CC(=O)c2c(SSc3nccs3)sc(-c3cc[nH]n3)c2C1 36088245 AYVAVBFBOCMUHW-UHFFFAOYSA-N 393.584 5.549 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(Br)c2[nH]1 586973200 GQYFUOLUFNYGNF-JTQLQIEISA-N 394.110 5.372 50 1 GKGF Cc1ccc2c3c(c4c(nc13)CC[C@@H](Br)C4)-c1ccccc1C2=O 586993120 IEZMXTPXXUYLJT-GFCCVEGCSA-N 378.269 5.007 50 1 GKGF C[C@]1(CCCCCCCCCc2ccc(O)cc2)C[C@@]2(C)OC(=O)C[C@H]2OO1 85775891 YMCWQAFBJQOYSX-AKIFATBCSA-N 390.520 5.240 50 1 GKGF biogenic N#CSC[C@@]1(c2sccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587532771 SNQLLHDEZDZNEC-LJQANCHMSA-N 389.929 5.355 50 1 GKGF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCCCCCCCCC[C@@H]1Cl)NCC2 962923646 IVSICLDSFRXMSD-JTHBVZDNSA-N 390.999 5.251 50 1 GKGF O=C1c2ccccc2-c2cc(-c3cc(CCl)cs3)nc3ccc(O)c1c23 586993635 JIZDJGYTABEWHG-UHFFFAOYSA-N 377.852 5.619 50 1 GKGF Cc1ccc2c3c(c(CCCl)c(-c4ccc(O)cc4)nc13)-c1ccccc1C2=O 586994068 SGBHIOVIKBAJAH-UHFFFAOYSA-N 399.877 5.909 50 1 GKGF CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587498339 NDOGATJSTAQLBY-NPMXOYFQSA-N 399.918 5.201 50 1 GKGF C=CCCCCCCCC=CC#CCCC[C@]1(OC)CC[C@@H](CC(=O)O)OO1 2356407496 CNFIAJKVMUSRIA-JTHBVZDNSA-N 392.536 5.561 50 1 GKGF NCCOc1ccc(/C(=C(\CCCl)c2ccccc2)c2ccc(O)cc2)cc1 299864934 SFJFIRAZZLSDLG-WCWDXBQESA-N 393.914 5.318 50 1 GKGF CCCCCc1cc2c(c(O[Si](C)(C)C)c1)[C@@H]1C=C(C)CC[C@@H]1C(C)(C)O2 195789337 JFPSLJJGWCHYOE-UXHICEINSA-N 386.652 7.244 50 1 GKGF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587058223 FXGTYJBWQFDEGU-LBPRGKRZSA-N 397.800 6.116 50 1 GKGF N#C/C(C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)=C(/O)C1CC1 100785254 QYJIVQRUEXKOKH-ZCXUNETKSA-N 388.345 5.182 50 1 GKGF CC1(C)C[C@@H](Cl)CN(CCCCCCN2C[C@H](Cl)CC(C)(C)C2)C1 299871240 YDSIZAKQCIUCEF-QZTJIDSGSA-N 377.444 5.225 50 1 GKGF Cc1ccc2c3c(cc([C@H](Cl)C(=O)C(F)(F)F)nc13)-c1ccccc1C2=O 586993162 LZJRWQQFFBMPSH-INIZCTEOSA-N 389.760 5.166 50 1 GKGF Cc1cc(C)c(/C=N/NC(=O)[C@@H](C)c2ccc(-c3ccccc3)c(F)c2)c(C)c1 103198735 PDPPRHSZXQAHOH-TUCSVVMZSA-N 388.486 5.672 50 1 GKGF O=C1c2ccccc2-c2cc(-c3ccc(N=C=S)cc3)nc3ccc(O)c1c23 586993861 KCXIRDURDNFYSS-UHFFFAOYSA-N 380.428 5.553 50 1 GKGF Fc1ccc(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(F)c1 587147795 BLRBJHWZALUMOH-KXFIGUGUSA-N 382.304 6.669 50 1 GKGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1CC[C@H]2Br 587495461 DGYGASCQBGXOTO-IRLDBZIGSA-N 397.312 5.136 50 1 GKGF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H]1C[C@]3(CC[C@H]([C@@H](C)C(=O)OC)OO3)CC[C@]21C 2356331387 ZQSPCLSXMHXWQA-LBYRQTAISA-N 390.564 5.608 50 1 GKGF C[C@H](CCC=CCCC=Cc1ccccc1)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356731531 PSBVOOFDCUCSOT-HECCSYQRSA-N 398.543 6.027 50 1 GKGF CC(=CCC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1)CCC1=C(C)CCCC1(C)C 2356747491 ZJKZMXQQSDVDLA-NHCICSSKSA-N 392.580 6.610 50 1 GKGF CC1=CC[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(Br)[C@H](Cl)C2 85951550 SRHPJMQFHHBZNT-MXYBEHONSA-N 398.610 6.057 50 1 GKGF biogenic C[C@@H](c1ccc(CBr)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586973265 HCPCLCTZJRZUFJ-QMMMGPOBSA-N 385.092 5.311 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccc(F)c(F)c1)([C@@H](C)Cl)CC2=O 587465064 ABTOHOYERHWMKL-GIPWTMENSA-N 380.818 5.111 50 1 GKGF C=C[C@](C)(O)CC[C@]1(O)[C@H](C)CC[C@@H]2C(C)(C)[C@@H](Br)CC[C@@]21C 2356673945 RZGHGVYSEQLDBS-ZBSOERELSA-N 387.402 5.071 50 1 GKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](Br)c2ccccc21 587460667 VKTYKJTWIKOGTM-OXQOHEQNSA-N 387.273 5.045 50 1 GKGF C[C@]1([C@@H](Br)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500585 SRHSBHMKZDVURF-LEWJYISDSA-N 385.301 5.426 50 1 GKGF CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)C[C@@H]1Br 40466165 BVHHUVPYPHZAII-KRWDZBQOSA-N 393.284 5.413 50 1 GKGF CCCCc1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)cc1 103180804 KFPAKOVKYAAIGL-UHFFFAOYSA-N 386.923 5.268 50 1 GKGF C[C@](Cl)(/C=C/Cl)[C@H](Cl)/C=C/[C@](Cl)(CCl)CBr 105481907 HCTBSUXDIUTHQM-WSRNSDSCSA-N 389.375 5.511 50 1 GKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CC[C@@H]([C@H](C)C(=O)O)OO1 138357143 CJMCHLFTZMZUPT-ILARHFNTSA-N 392.580 6.776 50 1 GKGF N#C/C(=C\c1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587187694 JULGOLOEZNBIRW-IZZDOVSWSA-N 392.178 5.408 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CBr)(C1CCCCCC1)CC2=O 587456388 NYPSSMBQFMUHHE-HXUWFJFHSA-N 395.337 5.414 50 1 GKGF O=C1C[C@@](CBr)(CCc2ccccc2)Oc2c1ccc1c2CCCC1 587500610 SYKHNBMOBZVOJN-JOCHJYFZSA-N 399.328 5.297 50 1 GKGF Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587687121 FLUURYFNMYWFBN-DJJJIMSYSA-N 396.731 5.222 50 1 GKGF COc1ccc(Cl)c2c1CCN[C@@]2(CCl)c1ccc(-c2ccccc2)cc1 963259139 RNUKXSUSUJWZMB-QHCPKHFHSA-N 398.333 5.644 50 1 GKGF CC(C)=CCC[C@]1(C)CC(=C(Cl)CN=C(Cl)Cl)C[C@H](O)[C@H]1Cl 2356634788 NWMWDIMFPYWPMI-SQWLQELKSA-N 387.178 5.828 50 1 GKGF COc1ccc(C(=O)NN=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 68582128 HBLYAFBZZYAVMR-UHFFFAOYSA-N 399.277 5.184 50 1 GKGF biogenic C[C@@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)NCCc2c(Cl)cc(Cl)cc21 963121437 LLUVPYQWSDLFEX-LRTDBIEQSA-N 396.789 6.308 50 1 GKGF O=C1[C@@H](Cl)[C@@H](c2cc3ccccc3nc2Cl)N1c1cccc(Cl)c1 103167911 ZEUNFJQKUYQQNY-JKSUJKDBSA-N 377.658 5.237 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586888593 LFJOVNHNAINDSG-RDTXWAMCSA-N 386.389 6.592 50 1 GKGF O=C(CCCC[C@H]1CCSS1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 49112473 IUSVMBOZLTXSSK-NSHDSACASA-N 394.440 5.266 50 1 GKGF COC(C)(C)[C@@H](Br)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586971637 WNJKTZLVVJPSEG-JTQLQIEISA-N 385.611 5.096 50 1 GKGF Nc1cc(C(=O)O)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587250294 ZPEZHGYPEZAKHS-UHFFFAOYSA-N 379.310 5.168 50 1 GKGF C[C@H](Cl)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496964 GZDGBEOMRXSEJY-ZSEKCTLFSA-N 375.295 5.707 50 1 GKGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(Br)[C@H](Cl)C2 85951556 ZLKDKQRNGQWCDI-MXYBEHONSA-N 398.610 6.057 50 1 GKGF biogenic CC/C=C\C/C=C\C/C=C\CCCCCC[C@@H](O[Si](C)(C)C)C(=O)OC 238738355 JGKDIIGUVRHMES-SGPMWKSLSA-N 380.645 6.579 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 586973035 FBLVUQCQKBLGKF-SECBINFHSA-N 384.199 5.023 50 1 GKGF C[C@H]1CCc2sc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2C1 587033388 HVXWDJHQDCVSBY-VIFPVBQESA-N 394.434 7.074 50 1 GKGF Cc1ccccc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497053 BRQZIRVDDCZAGV-OAQYLSRUSA-N 385.301 5.129 50 1 GKGF CC(C)(C)c1ccc([C@@]2(CCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500038 XORTWKNXUIQLFO-RUZDIDTESA-N 396.958 6.353 50 1 GKGF Cc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587688239 JVNWSMBQSDRUTO-YJYMSZOUSA-N 396.731 5.222 50 1 GKGF CC(C)CC=CC[C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@H]3CC[C@@H](O)C[C@@]34CC[C@@]12OO4 2356708307 KWNQCEPDCGGDIX-FCFCMWQZSA-N 388.592 5.816 50 1 GKGF N#C/C(=C/c1ccccc1Cl)CNC(=O)Nc1ccc(Cl)cc1Cl 40565917 FUVJHLZQDIWXIK-XFFZJAGNSA-N 380.662 5.375 50 1 GKGF CCCCCCCCCCCCCc1ccc(NC(=O)NCCCl)cc1 44145992 OUZTZCREJXGGRL-UHFFFAOYSA-N 381.004 6.900 50 1 GKGF O=C1C[C@]2(CCCCCCCCCC[C@@H]2Cl)Oc2c1ccc1c2CCCC1 587503094 WRNCYAHRPWVZRK-UPVQGACJSA-N 388.979 6.791 50 1 GKGF O=C(/N=N/c1cc(Cl)ccc1Cl)NNc1cc(Cl)ccc1Cl 18151858 GWJVRRDKWIKVOO-XUTLUUPISA-N 378.046 6.121 50 1 GKGF C[C@](Cl)(/C=C/Cl)[C@@H](Cl)/C=C/[C@@](Cl)(CCl)CBr 73276835 HCTBSUXDIUTHQM-DBGDHDDSSA-N 389.375 5.511 50 1 GKGF C[C@@]1(CC(=O)O)C[C@@](C)(CCCCCCCCCCc2ccccc2)OO1 85897150 LSOSWFXHGHKMMC-DHIUTWEWSA-N 376.537 6.084 50 1 GKGF biogenic COc1ccc(/C=C(/C#N)c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)cc1 587905668 DKTJPEQXWDOONG-JCMHNJIXSA-N 399.877 5.821 50 1 GKGF COc1ccc2nc(SSc3nc4ccc(OC)cc4s3)sc2c1 149402648 QERWHLCKGQAKFU-UHFFFAOYSA-N 392.552 5.723 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586973741 NQDUCVXKTHEPJL-SSDOTTSWSA-N 387.174 5.166 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c(Cl)ccc(F)c1Cl)O2 587381903 MYRCVRLKOXHJFX-KRWDZBQOSA-N 388.653 5.123 50 1 GKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@]3(C)O)C(C)=CC[C@@H]12 2356411802 ZJBUGILYFJGAAU-YMFTYUKWSA-N 386.576 5.277 50 1 GKGF CCCCCC[C@@H](CC=CCCCCCCCC(=O)OC)O[Si](C)(C)C 2356583726 FEUQNCSVHBHROZ-NRFANRHFSA-N 384.677 7.027 50 1 GKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 2356793545 KOPJTRKWLYJVCH-ZTCOLXNVSA-N 386.532 5.882 50 1 GKGF COc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Cl 586973031 FBIWFTTYWYCWRG-JTQLQIEISA-N 379.685 5.272 50 1 GKGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(-c3ccc(Br)cc3)c2c1 587638215 CYGCCTDMIYZIFZ-GFCCVEGCSA-N 376.725 6.850 50 1 GKGF O=C(O)Cc1ccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587961000 HKIHDODRQUNIGD-UHFFFAOYSA-N 392.349 5.438 50 1 GKGF COc1ccc([C@]2(CCCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500278 ZUOSSHWPEMOKSP-QHCPKHFHSA-N 384.903 5.454 50 1 GKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1F 587506052 OEBDELLUVGMKAM-OAQYLSRUSA-N 376.830 5.252 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2C(CCCCl)(CCCCl)N1 587683129 FQUIBQJDJIZMQL-LLVKDONJSA-N 397.159 5.356 50 1 GKGF C=C[C@]1(C)[C@@H]2NC(=O)S[C@@]23c2c[nH]c4cccc(c24)C(C)(C)[C@H]3C[C@H]1Cl 85550755 HQHRKXNDJILQCX-NFWXSOHESA-N 386.948 5.299 50 1 GKGF Cc1ccc2c3c(cc(-c4cccc(/C=C\C=O)c4F)nc13)-c1ccccc1C2=O 586997494 YOVLEIAFBGJBSJ-ALCCZGGFSA-N 393.417 5.773 50 1 GKGF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587267043 DMNHTIFEQBQGRJ-QMMMGPOBSA-N 397.329 5.243 50 1 GKGF CC(C)CC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327737 RDRWZRRBMQMOJN-TZIWHRDSSA-N 376.855 5.304 50 1 GKGF C[C@@]1(c2ccc(N=C=S)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611955 HWFVXURHBYNOHH-UGKGYDQZSA-N 389.432 5.004 50 1 GKGF COc1ccc2c(c1)[C@](c1cc(C)c(C)cc1C)([C@H](C)Cl)N(C(C)C)CC2 962091596 OOEIWZAFJWSROX-YADARESESA-N 385.979 5.758 50 1 GKGF C[C@@]1(CC(=O)NCc2ccc(-c3ccc(F)cc3)cc2)CC2(CCCCC2)OO1 49679577 LEBNAIJUGSJHEQ-HSZRJFAPSA-N 397.490 5.313 50 1 GKGF C[C@]1(CCCCCCCCCCc2ccccc2)C[C@]2(C)OC(=O)C[C@H]2OO1 85775888 LBCVLXZWFGNXOB-NHTMILBNSA-N 388.548 5.925 50 1 GKGF biogenic O=C1[C@H](Cl)[C@@H](c2cc3ccccc3nc2Cl)N1c1cccc(Cl)c1 103167915 ZEUNFJQKUYQQNY-HZPDHXFCSA-N 377.658 5.237 50 1 GKGF CC=C(C)C(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@@](C)(CCC[C@@]1(C)OO)[C@H]3CC2 2356469917 GXCUIVKBCLAWCS-RLDGTPPGSA-N 388.548 5.685 50 1 GKGF C#CC=CCC(Br)=C1C[C@@H]2C[C@H](CC)[C@@H](Br)C[C@H]2O1 2356850548 PQYMHWIWKZHKFO-NZBPQXDJSA-N 388.143 5.161 50 1 GKGF CCCCCCCCn1c2ccccc2c2ccc(OCBr)cc21 72111361 FTQGQQTVNLOEQK-UHFFFAOYSA-N 388.349 6.886 50 1 GKGF FC(F)(F)c1cc(C(F)(F)F)c2c(C3CC3)c(CBr)[nH]c2c1 587625129 COVPOZRUWRMSLV-UHFFFAOYSA-N 386.133 5.978 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)c1ccc(C(F)(F)F)cc1 963229588 NZEVRTWCLKJVHB-FOIQADDNSA-N 381.869 5.844 50 1 GKGF COc1ccc([C@H]2C(C#N)=C(Cl)Oc3c2ccc2ccccc32)cc1OC 1857614289 QWGBFEYUXCGYSY-HXUWFJFHSA-N 377.827 5.355 50 1 GKGF C[C@]1(CCCCCC/C=C/C=C/c2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2OO1 96086021 VIBYZHWNCSGZMC-GKFAJYMMSA-N 384.516 5.781 50 1 GKGF in-vitro O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)C2 586884736 IPOGISZQFOUOGC-DCAQKATOSA-N 378.366 5.859 50 1 GKGF CCCOc1cc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2cc1Br 587188142 OSZFQHVWRCLAAO-OQLLNIDSSA-N 396.288 5.487 50 1 GKGF O=C1[C@H](Cl)[C@@H](c2ccccc2Cl)N1Nc1ccnc2cc(Cl)ccc12 1772644311 JOHKPXOETBUGSL-IAGOWNOFSA-N 392.673 5.059 50 1 GKGF Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCl)cc1 587626696 VIBZYIJAYLFCFU-UHFFFAOYSA-N 391.742 6.920 50 1 GKGF C[C@](Cl)(C=CCl)[C@@H](Cl)C=C[C@](Cl)(CCl)CBr 2356521011 HCTBSUXDIUTHQM-LPEHRKFASA-N 389.375 5.511 50 1 GKGF CCCC=C[C@@H]1COC(OOC2=C(CC)C[C@H](C=CCCC)CO2)=C(CC)C1 2356590556 TVZDQILKMVXSCD-PMACEKPBSA-N 390.564 6.963 50 1 GKGF C=C1CCCC(C)(C)[C@H]1CC[C@H](C)CCC[C@@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 43543959 VCZNGUOXJKTDBG-UHAJZMFGSA-N 394.596 6.546 50 1 GKGF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 238752770 SQNNYRWDFNZPBJ-HZOXFFBXSA-N 392.580 6.155 50 1 GKGF Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325275 DEZPZMXSPQPBBN-FYYLOGMGSA-N 396.845 5.333 50 1 GKGF Cc1[nH]c(C(=O)[C@@H](C)Cl)c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499514 UQXYIUOMKQAKCM-JCQPUDPBSA-N 399.918 5.201 50 1 GKGF CCC=CC=CC=CCCCCCCCC[C@]1(C)C[C@](C)(CC(=O)OC)OO1 2356648636 KQFXTDFWOPMDIE-RPWUZVMVSA-N 392.580 6.618 50 1 GKGF CC1=CC=C(Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@H](Br)C2 2356753052 PHHUSFCHCZLGNG-SNPRPXQTSA-N 396.594 6.183 50 1 GKGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508551 WIIQRYUJPBYNDQ-LAJNKCICSA-N 376.830 5.332 50 1 GKGF C/C(=N\NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(-c2ccccc2)cc1 1857760309 ZLXHVMWNLFDMEL-GGIKUTQTSA-N 396.534 6.205 50 1 GKGF CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1 40685322 PCQUAJYZDJNEOD-FBNDGMMSSA-N 390.508 5.621 50 1 GKGF Oc1ccc2c(c1)[C@@](CCl)(c1c(-c3cccs3)[nH]c3ccccc13)NCC2 963343429 VXPGENKUGVQPQV-QFIPXVFZSA-N 394.927 5.230 50 1 GKGF CC(=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1)CC=CC(C)(C)OO 2356348666 AJEAJFCAOHXNJZ-UHFFFAOYSA-N 398.499 6.059 50 1 GKGF O=C/C=C1\OC(/C=C/c2ccccc2)=Nc2c1oc1ccc(Br)cc21 40818702 SGBVSZSOAXVGLQ-XEWCJNAKSA-N 394.224 5.509 50 1 GKGF CCCCCCCCCOP(=O)(CCl)OCCCCCCCCC 68600586 RXDDUMUMKRYTDL-UHFFFAOYSA-N 382.953 7.910 50 1 GKGF biogenic CC(=CCCC(C=O)=CC=CC1=CC(=O)O[C@@H]1O)CCC1=C(C)CCCC1(C)C 2356464795 CNZFPEKVGJSRBD-DEOSSOPVSA-N 398.543 5.503 50 1 GKGF CC(=CC=CCCCC=Cc1ccccc1)C[C@]1(C)C[C@]2(C)OC(=O)C[C@H]2OO1 2356756177 CPCDZHAAYWQQMM-GPXOXTDOSA-N 396.527 5.948 50 1 GKGF N#C/C(=C\c1ccc(Br)cc1)n1nnc2cc(Cl)c(Cl)cc21 72125800 SSYCPCWSCLBRMC-VZUCSPMQSA-N 394.059 5.022 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(Br)cc2[nH]1 586972929 CUJGQXSUHOLGBS-SNVBAGLBSA-N 394.110 5.372 50 1 GKGF O=C1c2ccccc2-c2cc(-c3ccc(O)c(CCCl)c3)nc3cccc1c23 587103145 FCICZBQVFONQHA-UHFFFAOYSA-N 385.850 5.600 50 1 GKGF C=CCn1c(C)cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587498317 MTMNKWZECOUJQL-HSZRJFAPSA-N 383.919 5.269 50 1 GKGF COC(=O)C[C@]1(C)C[C@](C)(C[C@H](C)C=CC[C@@H](C)C=Cc2ccccc2)OO1 2356312982 PEOWGKDHNJAAEI-MYSJAJEPSA-N 386.532 5.741 50 1 GKGF CC(C)=CCCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@@H]3CC(=O)C(C)=C[C@H]3O2)O1 2356545885 RDIQGQNNHFBYRT-OUMDNPPYSA-N 396.527 5.170 50 1 GKGF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](Br)CCCC3 586985454 HRMFDJRTOWSJDQ-CQSZACIVSA-N 394.268 5.314 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(-c3ccccc3)cc1)O2 587371543 GPVUQDOGIFUKHC-HSZRJFAPSA-N 377.871 5.344 50 1 GKGF CC(=CCCC(C=O)=CC(=O)O)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356543352 MGMXLKKZMIONLA-UHFFFAOYSA-N 386.576 6.956 50 1 GKGF CCCCCOc1cc2nc([C@H](C)Br)[nH]c2cc1Br 587008804 OQQRTJAFURSGFO-VIFPVBQESA-N 390.119 5.350 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCC3)([C@@H](C)Cl)CC2=O 587457903 DAYKJUQGNNVQFI-FATZIPQQSA-N 384.903 5.321 50 1 GKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C(C)C 587497172 HJRZEGJRQMMNFE-QHCPKHFHSA-N 385.935 5.664 50 1 GKGF C[C@H](Br)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587532624 RDCGPHOGMPODCT-BUXKBTBVSA-N 391.330 5.271 50 1 GKGF Cc1ccccc1[C@]1(CCCCCCCl)c2c(F)cccc2C[C@@H]2CCCN21 963110357 MVDULOZDHNQEHG-SQJMNOBHSA-N 399.981 6.588 50 1 GKGF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586908744 UQSKKPLBHMUEDR-VIFPVBQESA-N 392.349 5.801 50 1 GKGF CC(C)CCOc1cc2nc([C@H](Cl)CCl)[nH]c2cc1Br 587008939 SIKIAGBMHMBONZ-SNVBAGLBSA-N 380.113 5.269 50 1 GKGF C[C@@H](Cl)[C@@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508560 WIIQRYUJPBYNDQ-XUSGNXJCSA-N 376.830 5.332 50 1 GKGF CCOc1ccc([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)cc1CCl 962671160 SHFYPLZHRNCHSR-VWLOTQADSA-N 391.942 5.900 50 1 GKGF C[C@](Cl)(C=C[C@@H](Br)[C@@](C)(Cl)C=CCl)CBr 2356738072 VYKLGBHBSJDLRH-UTLUCORTSA-N 399.381 5.449 50 1 GKGF COc1cc(C)c(N)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587249590 OXNRTAWVTTXFQU-UHFFFAOYSA-N 379.354 5.787 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccc(Cl)c(Cl)c1)O2 587373488 RBADBMWWCKZIRR-SFHVURJKSA-N 384.690 5.374 50 1 GKGF C[C@]1(c2cc(CCl)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615203 WZXFLWRGAGATLU-YLJYHZDGSA-N 386.856 5.070 50 1 GKGF Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)NCCc3ccc(O)cc32)cc1 963353794 SZAZTLXSVOQQMK-ZEQRLZLVSA-N 377.915 5.378 50 1 GKGF C=C1CC[C@@H](Br)C(C)(C)[C@@]12CC[C@](C)(Cl)[C@@H](Br)C2 238733188 REKADLCYCOKRRC-PAPYEOQZSA-N 398.610 6.057 50 1 GKGF CCC(CC)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324693 STRISHSNGNMWKJ-FPOVZHCZSA-N 376.855 5.304 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@@H](Cl)c1ccccc1F)CC2=O 587466658 NDFNKHGNOXFQST-VXKWHMMOSA-N 388.866 5.578 50 1 GKGF CC=C(C)C(=O)OC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@@H]12)C[C@@]45C 2356317082 OTWDRWVSTSNGQX-YRWNIKLCSA-N 382.544 5.601 50 1 GKGF C=C1[C@@H](CC=C(C=O)CC(OCC)OCC)[C@@]2(C)CCCC(C)(C)[C@H]2C[C@H]1O 2356518693 YDTXZIZBGGRDRX-GECPAALWSA-N 392.580 5.061 50 1 GKGF COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Oc2ccccc2)cc1 62242214 GMQLDADYHGGEBI-YZSQISJMSA-N 396.446 5.405 50 1 GKGF CC/C=C/C=C/C=C/CCCCCCCC[C@]1(C)C[C@@](C)(CC(=O)O)OO1 85775623 MIXTVNJOFJIRKQ-MXXJXGHQSA-N 378.553 6.530 50 1 GKGF CCCCCCc1ccc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)C2CC2)cc1 73160945 UCLIXTRGQRBUPP-GBOLQPHISA-N 386.539 5.984 50 1 GKGF C[C@]1(c2ccc(NC(=O)CCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500117 YMKHMXFEPGCJBI-HSZRJFAPSA-N 397.902 5.013 50 1 GKGF COc1ccc(Cl)cc1C#CCc1cccc2cccc(CBr)c12 587899026 XAONQSUACCRBQE-UHFFFAOYSA-N 399.715 5.991 50 1 GKGF CCOC(=O)c1ccc(NCCCCCCCCCCCBr)cc1 29215917 ATLBMBGFKRTOFJ-UHFFFAOYSA-N 398.385 6.181 50 1 GKGF O[C@@H]1C[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2ccccc21 586902769 MJVSLUKRJJYCFS-IUODEOHRSA-N 376.350 5.789 50 1 GKGF O=[N+]([O-])c1cccnc1NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587268505 AWQIRKDBMJJSJD-UHFFFAOYSA-N 395.313 5.136 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)c(F)c(C)c1)CC2=O 587466549 OMFYNCJQZRIWNT-OAQYLSRUSA-N 376.855 5.200 50 1 GKGF N#CSc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622381 MFNUTEPYQJGIPM-UHFFFAOYSA-N 387.237 5.186 50 1 GKGF C[C@@H](Cl)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1 587626429 SRJTVQSGHXUEIN-SECBINFHSA-N 391.742 7.172 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(CCl)c2)N1 587686849 XSAIQAQYWSQVCR-VOJFVSQTSA-N 382.704 5.125 50 1 GKGF C[C@](Cl)(C=CBr)[C@H](Cl)C=CC(=CCl)C(Cl)Cl 2356588482 WSTOEGOKMOGOKF-SCZZXKLOSA-N 387.359 5.983 50 1 GKGF C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@@H]1OC1(C)C 473128143 YSEOBWHSSYMSKX-QQBOBMDFSA-N 385.386 5.397 50 1 GKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C3=CCCC3)nc2c1 586884425 PSFFJAVYNAODLY-UHFFFAOYSA-N 389.187 6.550 50 1 GKGF Cc1ccc2c3c(c4c(nc13)[C@]1(CCl)CC[C@H]4C1(C)C)-c1ccccc1C2=O 586994099 UFJOGJZCKCBQSX-CRICUBBOSA-N 387.910 6.148 50 1 GKGF FC(F)(F)[C@@](F)(Cl)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587090486 RGXKAUKADNXDAD-MRVPVSSYSA-N 378.647 6.144 50 1 GKGF Cc1ccc(/C=C(/C#N)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587188805 XATPHNBMBNFUCP-JYRVWZFOSA-N 385.361 6.593 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(CCl)cs2)N1 587844988 CVPSMGGRMCVCNH-ABKXIKBNSA-N 388.733 5.186 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N=C=S)c2)N1 587846052 STSPWLWDOZUZQP-ZMZPIMSZSA-N 391.309 5.120 50 1 GKGF Fc1ccc([C@]2(CCCCCl)NCCc3cccc(-c4ccccc4)c32)cc1 962674450 XKJDQIHTMKADLP-VWLOTQADSA-N 393.933 6.291 50 1 GKGF CC(C)OP(=O)(OC(C)C)[C@@H]1C(C#N)=C(N)Oc2c1cccc2C(C)(C)C 103250586 UMUHWLODBQPVTL-SFHVURJKSA-N 392.436 5.155 50 1 GKGF O=C(Cl)/C=C\c1ccc(/C=C\C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279288 FSESAZZIJMDVND-OZDSWYPASA-N 381.771 5.016 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@@H](C)Cl)CC2=O 587461450 XKASNYAYXFSDOB-ODXCJYRJSA-N 379.283 5.486 50 1 GKGF C=C1CCC[C@@H]2[C@@H](CC[C@@]3(C)CC[C@H]([C@H](C)C(=O)O)OO3)[C@H](C)CC[C@@]12C 44430604 VRMMLZKUQZCNHU-UQILNWLDSA-N 378.553 5.765 50 1 GKGF C[C@H](Cl)[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507783 STDVJGOYEJOPON-LAJNKCICSA-N 376.830 5.332 50 1 GKGF O=C1C[C@H](c2cc(CBr)ccc2F)Oc2c1ccc1c2CCCC1 587509593 ZYHMOUAOLQCCGC-LJQANCHMSA-N 389.264 5.306 50 1 GKGF Cc1ccc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587543381 KKADEXPMYOCARA-NFBKMPQASA-N 394.854 5.105 50 1 GKGF C[C@@]1(c2cccc(N=C=S)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613274 NQANXTUBZXOGQM-UGKGYDQZSA-N 389.432 5.004 50 1 GKGF CN1CCc2c(Br)cccc2[C@H]1c1ccc(OCCCCl)cc1 963269256 HELMCAMCCAQNMB-LJQANCHMSA-N 394.740 5.034 50 1 GKGF C=C[C@](C)(O)CC[C@H]1[C@](C)(CCC=C(C)C)[C@@H](Br)CC[C@@]1(C)O 35900949 YQCSNTCEUMEKDO-VYJAJWGXSA-N 387.402 5.381 50 1 GKGF biogenic Cc1c(CCCBr)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626086 PDBKCVATPWXOJC-UHFFFAOYSA-N 388.149 5.841 50 1 GKGF COc1ccc(CSS/C=C\C[S@@](=O)Cc2ccc(OC)cc2)cc1 84564588 WVJMPUWJWCALBP-YKKDNTRHSA-N 394.583 5.048 50 1 GKGF O=C1O/C(=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2ccccc21 586906504 NBXGUWWCRWWTGL-RIYZIHGNSA-N 388.317 5.889 50 1 GKGF O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 587325680 GQBKJYZBKAZDGJ-GGAORHGYSA-N 396.845 5.111 50 1 GKGF C[C@@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587497623 JKLPHBPHMGVZNN-QKFKETGDSA-N 397.902 5.012 50 1 GKGF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3N)c(CCl)c2c1 587639399 URSLMUKEUPPSRF-NSHDSACASA-N 391.740 6.432 50 1 GKGF C=CC[C@@H]1[C@H]2CC[C@](O[Si](C(C)C)(C(C)C)C(C)C)([C@H]1O)[C@H](C(=O)OC)C2 254081296 YIBLHUPWAMRDEZ-UTNFEIGLSA-N 396.644 5.073 50 1 GKGF CC(C)(F)[C@@H](Br)c1nc2cc(Br)cc(Cl)c2[nH]1 587087064 LMRDIDFDGGNVRK-VIFPVBQESA-N 384.474 5.163 50 1 GKGF CCCCC/C=C/C=C/[C@H](CCCCCCCC(=O)OC)OOC(C)(C)C 102182820 XVZNKFOXXKMPCH-DCCMYRJFSA-N 382.585 6.698 50 1 GKGF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587160907 ICSXAAWLQRGFNK-OLZOCXBDSA-N 378.341 6.631 50 1 GKGF COc1cc2c3c(c1)O[C@](CCCl)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587420240 HDAHCOGGFKRLCP-ORAYPTAESA-N 397.685 5.274 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N=C=S)c2)N1 587847010 VWKZJQPZNQQSHE-BBATYDOGSA-N 391.309 5.120 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)c1c[nH]c2cc(OC)ccc12 963228057 KMHVOMXTBGYLEO-HJPURHCSSA-N 382.935 5.316 50 1 GKGF CCCCC[C@@H](C=CC=CC=C[C@H](CC=CCC=CCCC(=O)O)OO)OO 2356725531 OBXRYBLVMCAPKM-SFTDATJTSA-N 394.508 5.709 50 1 GKGF S=P(C1CCCCC1)(C1CCCCC1)[C@@H](c1cccnc1)N1CCCC1 5581154 FBWTYIXFANPCFM-QFIPXVFZSA-N 390.577 6.321 50 1 GKGF in-vitro O=c1c([C@H]2N=C(c3ccccc3)SS2)coc2cc(Cl)c(F)cc12 43120981 SJBLEDKABBSALX-KRWDZBQOSA-N 377.849 5.426 50 1 GKGF O=C1C[C@@](CBr)([C@H]2Cc3ccccc32)Oc2c1ccc1c2CCCC1 587499459 NFNCHIZYNWVYQO-SIKLNZKXSA-N 397.312 5.004 50 1 GKGF CCN(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 3986294 WHNLGGCKSGQRNJ-UHFFFAOYSA-N 397.478 5.082 50 1 GKGF C=C1C(C)(C)[C@@]2(Cl)[C@H](Cl)[C@]1(Cl)C(Cl)(Cl)C2(Cl)Cl 95866430 HBQPGVWPSQGTJK-DTLFHODZSA-N 377.353 5.506 50 1 GKGF CC1=C[C@]2(C=C(C=O)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(/C)C/C=C/C(C)C)C1 238786799 DXVXAEIEQRNUAO-ZHYUDXJWSA-N 396.527 5.026 50 1 GKGF Oc1cccc2c1OCC(c1nc3cc(S(F)(F)(F)(F)F)ccc3[nH]1)=C2 586909422 YUCQSJONMHKQIK-UHFFFAOYSA-N 390.333 5.859 50 1 GKGF CSc1ccc([C@@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc1 1857559735 JCSHGQPWDYRCOG-IBGZPJMESA-N 378.884 5.433 50 1 GKGF C[C@H](C(=O)O)[C@@H]1CC[C@](C)(CCC=C2CCC3=C(CCCC3(C)C)C2)OO1 2356539914 FYBDKPKXLFVFLO-GRWTVWFQSA-N 376.537 5.974 50 1 GKGF CCC(CC)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324692 STRISHSNGNMWKJ-CTNGQTDRSA-N 376.855 5.304 50 1 GKGF O=C1C[C@H](c2ccc(CBr)cc2F)Oc2c1ccc1c2CCCC1 587502543 FFFZQVNVBKRNRE-LJQANCHMSA-N 389.264 5.306 50 1 GKGF CC(C)CC(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@H]21)[C@H](C)[C@@]45C 2356359797 STLBXYOSWNQTAD-VKMABADKSA-N 398.587 5.927 50 1 GKGF COC(=O)/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=O 14619245 AXJDLEYLECTZDP-PASTWLGUSA-N 378.512 5.925 50 1 GKGF endogenous,in-man CCN(CC)CCOc1ccc(/C=C(\C#N)c2noc3ccc(Cl)cc23)cc1 40639680 XVJKYGMZZVDINM-GHRIWEEISA-N 395.890 5.266 50 1 GKGF COc1cccc(-c2cc([C@H](Cl)C(=O)N(C)C)nc3c2oc2ccccc23)c1 587358082 ONOJPTVQEVEHLM-IBGZPJMESA-N 394.858 5.025 50 1 GKGF COc1ccc(-c2cc(CCCCC[C@H]3CCSS3)n[nH]2)cc1OC 28823696 XJOQSMMOMCODAZ-INIZCTEOSA-N 378.563 5.351 50 1 GKGF C[C@]1(c2ccccc2NC(=O)CCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499612 WIOXMNKCNRUWNE-HSZRJFAPSA-N 397.902 5.013 50 1 GKGF S=C=N/C=C\CCCCCCCCCCCCCCCCCCN=C=S 137924340 JVOMLFCLLYRLKU-ZPHPHTNESA-N 394.694 8.337 50 1 GKGF C[C@H](CCC=CCCC=Cc1ccccc1)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 2356594195 LTMUKXRJUSZQFQ-QDSKXPNFSA-N 386.532 6.187 50 1 GKGF C/C(C#N)=C\c1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1 33814578 ACBYVLBXWQRIRC-XNTDXEJSSA-N 380.455 5.379 50 1 GKGF CCc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1CC 586878238 AVWVPNKIVZWGBV-UHFFFAOYSA-N 376.394 7.012 50 1 GKGF Cc1[nH]c2ccccc2c1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497553 JATFSCJXYQVJNW-QHCPKHFHSA-N 379.887 5.455 50 1 GKGF Fc1ccc2[nH]c(-c3ccc(Cl)cc3)c(CCBr)c2c1Cl 587627709 JBULGGCHJVXGKJ-UHFFFAOYSA-N 387.079 6.218 50 1 GKGF CC(C)c1ccc([C@]2(CCCCl)c3c(F)cccc3C[C@H]3CCCN32)cc1 963100566 BPSCZLZDKHJDCD-ZJSXRUAMSA-N 385.954 6.232 50 1 GKGF C=C(c1ccccc1)[C@H]1OOC2(O[C@@H]1c1ccccc1)C1CC3CC(C1)CC2C3 95585802 WUHHMYXFIFOTQI-XGQBMCKGSA-N 388.507 5.941 50 1 GKGF [C-]#[N+]C(C)(C)c1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1 169694734 NWANDSBRGRLBGY-UHFFFAOYSA-N 377.451 5.928 50 1 GKGF CC(C)Oc1cc2nc(/C(C#N)=C\c3ccccc3)[nH]c2cc1Br 587187345 FEHKWVSYLCGTRW-ZSOIEALJSA-N 382.261 5.177 50 1 GKGF CC[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500564 SLDLSLYDMILOLA-UNMCSNQZSA-N 399.328 5.600 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(Cl)Cl)(C(C)(C)C)N1 587690108 ZDVFYELVSYZZCJ-GLEZIHRCSA-N 383.132 5.168 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587967482 HYGSFGSSTUGTKM-FLIBITNWSA-N 396.384 7.544 50 1 GKGF CN(CCC(c1ccccc1)c1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 49766882 FJLFZEKGZNUNFW-UHFFFAOYSA-N 390.439 5.248 50 1 GKGF COc1ccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(F)c1 587150143 ZRBODCLAMMXOKG-UHFFFAOYSA-N 382.329 5.959 50 1 GKGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496048 BHANYJASDTXCBH-LFVRLGFBSA-N 397.902 5.012 50 1 GKGF Cc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587687123 FLUURYFNMYWFBN-YJYMSZOUSA-N 396.731 5.222 50 1 GKGF CC/C=C/C=C/C=C/CCCCCCCC[C@]1(C)C[C@@](C)(CC(=O)OC)OO1 64513900 KQFXTDFWOPMDIE-MWCMNJBHSA-N 392.580 6.618 50 1 GKGF COc1cc(/C=N\O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C 195509165 YFJLHBHETMMFRW-QNGOZBTKSA-N 395.692 6.435 50 1 GKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587326273 JUJOGYWJWOBKMG-FYYLOGMGSA-N 396.845 5.415 50 1 GKGF CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccn1 40447717 PCAIMHWXGUYYNS-SQYHMDOVSA-N 391.496 5.016 50 1 GKGF N#C/C(=C\c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587188548 SOLNWKHKOUESND-DHZHZOJOSA-N 392.178 5.408 50 1 GKGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CBr)cc1F)CC2=O 587467410 RKJWZLHUIBUGLV-GOSISDBHSA-N 393.252 5.085 50 1 GKGF O=C1c2ccccc2-c2cc(-c3cc(F)cc(CCl)c3O)nc3cccc1c23 587104353 SJBICCTUQLHSLL-UHFFFAOYSA-N 389.813 5.697 50 1 GKGF CC[C@H](C)c1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500225 YYXBXUWLUVWGMV-UPCLLVRISA-N 382.931 6.178 50 1 GKGF O=C1C[C@@](CCl)(Cc2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 587508152 SHFQOKSKUZNKAM-OAQYLSRUSA-N 393.285 5.543 50 1 GKGF CC(C)(C)c1ccc(-c2cnc(N)cn2)c(F)c1O[Si](C)(C)C(C)(C)C 212128577 ZEAZKZKFWXLGEW-UHFFFAOYSA-N 375.564 5.546 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(Cl)sc1Cl)O2 587409049 FSPGVUDZHCLJGQ-HNNXBMFYSA-N 376.692 5.045 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccccc2)N1 587686399 UWNTVQJQGSOUSE-DJJJIMSYSA-N 396.731 5.385 50 1 GKGF Cc1ccc([C@@]2(CCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686648 WLFBYMUTVCMHAH-ORAYPTAESA-N 396.731 5.303 50 1 GKGF C=C(c1cccc2ccccc12)[C@@H]1CCOC2(OO1)C1CC3CC(C1)CC2C3 43620446 BUQFPFKPCXMZKL-BFMATSDFSA-N 376.496 5.743 50 1 GKGF COc1cccc(-c2cc([C@H](C)Br)nc3c2oc2ccccc23)c1 587361245 SPCNJSGRUOPANL-LBPRGKRZSA-N 382.257 6.113 50 1 GKGF CCC=CC=CC=CCCCCCCCC[C@@]1(C)C[C@](C)(CC(=O)O)OO1 2356482374 MIXTVNJOFJIRKQ-GOTSBHOMSA-N 378.553 6.530 50 1 GKGF CN1CCc2c(Br)cccc2[C@]1(CCl)CCc1ccccc1 963282842 YPIIGRNJCVGBNP-LJQANCHMSA-N 378.741 5.004 50 1 GKGF CC1=C(CCC(C=O)=CC=CC2=CC(=O)O[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 2356630808 FMCDEBKDPYNHPK-NMVJMZGASA-N 398.543 5.193 50 1 GKGF C/C=C/[C@H](C/C=C(\C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 195517185 NCUBKCSLYCLMJM-IUSRDHDYSA-N 384.753 7.311 50 1 GKGF Cc1ccc(C)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587501787 YDMDGXAUBMPAKD-QFIPXVFZSA-N 399.328 5.438 50 1 GKGF Nc1cc(Br)ccc1-c1[nH]c2ccc(F)c(Cl)c2c1CCl 587628131 ITFDRDMDKLAMHT-UHFFFAOYSA-N 388.067 5.711 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 587781405 UVOAKAXISXENTE-DAXSKMNVSA-N 390.377 6.450 50 1 GKGF C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963099842 AXYQGLAEVKHXRN-LYAKXMMSSA-N 385.954 6.015 50 1 GKGF C=C(C)[C@H]1C[C@]2(C)C[C@@H](O2)[C@H]1CC(=C)[C@@H]1CC[C@@](C)(O)[C@H](Br)C1 2356444166 NFNFPHXXILVTBW-UVIHBWEYSA-N 383.370 5.007 50 1 GKGF CC(=CCc1ccccc1)CCC[C@H](C)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356462162 IDTXMDHREDKNGT-NAMDQGSHSA-N 386.532 5.557 50 1 GKGF ClCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Oc1ccccc1 587620963 LFMOQALDFIELME-UHFFFAOYSA-N 376.641 5.338 50 1 GKGF COc1cccc([C@@H](C)Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587929407 AGJPBNTYFMXBTL-NSHDSACASA-N 392.393 6.575 50 1 GKGF CCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)/C(=C(\O)OC(C)(C)C)C(C)=N1 103886274 ISGDLSRYMIDKOG-FDCFBWIESA-N 390.936 5.971 50 1 GKGF COc1ccc([C@@H]2CC3=NC(C)=C(C#N)[C@@H](c4cccc(F)c4)C3=C(O)C2)cc1 104693233 KFUDEKWTFOAEBE-UZUQRXQVSA-N 388.442 5.560 50 1 GKGF CC1=C(C#N)[C@@H](c2cccnc2)C2=C(O)C[C@H](c3ccc(Cl)cc3)CC2=N1 19762614 HOAKAIQPXAXYJA-IIBYNOLFSA-N 375.859 5.460 50 1 GKGF C=C1C(CC(C)C)=C(C#N)C(=O)N1c1c(Cl)c(Cl)cc(Cl)c1Cl 64417054 RHMNJZLSEGOMJZ-UHFFFAOYSA-N 390.097 6.027 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CSC#N)(c1sccc1Cl)CC2=O 587492954 DLOPOTRXYQXVGN-GOSISDBHSA-N 393.917 5.135 50 1 GKGF CC(=O)Oc1ccc([C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 621478417 RRBCIIZJGOTVGK-MRBFVCJNSA-N 398.499 5.097 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=C[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C 2356386973 CAXVJDRXJFKYQP-PZUNEJSGSA-N 382.544 5.401 50 1 GKGF C[C@@]1(c2cccc3nc(CCl)oc23)CC(=O)c2ccc3c(c2O1)CCCC3 587497234 HTVLIBMPTCUBTP-QFIPXVFZSA-N 381.859 5.326 50 1 GKGF CCOc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1C 587778015 HHTWQUAWPLYXQP-UHFFFAOYSA-N 378.366 6.594 50 1 GKGF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1)CC 2356382823 PAXJPQSBALSCDZ-BWKHYTDRSA-N 380.569 6.164 50 1 GKGF C[C@](Cl)(C=CCl)[C@H](Cl)C=C[C@](Cl)(CCl)CBr 2356521010 HCTBSUXDIUTHQM-KXUCPTDWSA-N 389.375 5.511 50 1 GKGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C(C)C)cc1C(C)C)[C@@H](C2)C3=O 587417013 IFKAJWZJXXWREP-RDPSFJRHSA-N 398.930 5.824 50 1 GKGF Cc1c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cccc1[N+](=O)[O-] 587261185 XQQSPUUNZBFABD-UHFFFAOYSA-N 379.310 6.104 50 1 GKGF CCCc1c(O)ccc2c1O[C@@]1(CCCCCCCCCC[C@@H]1Cl)CC2=O 587463348 XLOUXNRCLIOSHX-GMAHTHKFSA-N 392.967 6.571 50 1 GKGF O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccccc2)[C@H]1c1ccc(F)cc1 587325681 GQBKJYZBKAZDGJ-GMAHTHKFSA-N 396.845 5.111 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)c(F)cc1F)CC2=O 587466876 PVJRNIOQRXVBJN-FQEVSTJZSA-N 380.818 5.031 50 1 GKGF CCCC=CC=CCCCCCCCC[C@]1(C)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356402409 GMLLVOJRMHMDIV-MDNUFGMLSA-N 378.553 6.205 50 1 GKGF O=C(/C=C/c1ccc(SCCCCCBr)cc1)c1ccccc1 40918405 NZSWXXDYJVFUMS-SDNWHVSQSA-N 389.358 6.240 50 1 GKGF O=C1c2ccccc2-c2c(CCCl)c(-c3cccs3)nc3cccc1c23 587207152 CBXLJCQBCJFJLT-UHFFFAOYSA-N 375.880 5.956 50 1 GKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccccc2)[C@H]1c1ccc(F)cc1 587325884 HJVQYBYIEDCJHW-RBBKRZOGSA-N 382.818 5.025 50 1 GKGF N#CSC[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587530592 CPRZZFHBEZBBLF-NRFANRHFSA-N 383.900 5.294 50 1 GKGF CC(C)c1cc2c(cc1OC(=O)[C@@H](C)Cl)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 35244519 NHFWIICFQTWAJO-ZNRXUEPQSA-N 376.968 6.373 50 1 GKGF CCCCCCCCCCCCCCCCNc1ccc(C(=O)NN)cc1 43664189 ZNWKWFUWRHRHJG-UHFFFAOYSA-N 375.601 6.183 50 1 GKGF CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(/C=C\c1ccccc1)c1ccccc1 101406572 IWLDRSHCOSMYIA-DKWCDDASSA-N 378.468 5.048 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586888591 LFJOVNHNAINDSG-KDOFPFPSSA-N 386.389 6.592 50 1 GKGF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586908739 UQSKKPLBHMUEDR-SECBINFHSA-N 392.349 5.801 50 1 GKGF CCCNc1nc(SCCC)nc2c1cnn2C[C@H](Cl)c1ccccc1 40380019 YHVIFIIUWUKMLK-INIZCTEOSA-N 389.956 5.130 50 1 GKGF Cc1cc(S(F)(F)(F)(F)F)cc2c1O[C@H](C(F)(F)F)C(C(=O)O)=C2 1772579507 XGLBAOPSVHPQDV-JTQLQIEISA-N 384.244 5.444 50 1 GKGF N#C/C(=C\c1cccc2cnccc12)c1c[nH]c2cc(CN3CCCC3)ccc12 1857774974 POZPOQALQHGPKR-FYJGNVAPSA-N 378.479 5.376 50 1 GKGF Fc1ccc2c(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)coc2c1 587175475 SNFUCBZBBPXWLF-UHFFFAOYSA-N 378.297 6.773 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(CCl)cs2)N1 587846883 JFNOPHWHIMUYET-XXFAHNHDSA-N 388.733 5.186 50 1 GKGF CC1=CC(=O)[C@@H]2C(C=O)=CC[C@@H]3[C@H]([C@H](C)[C@@H]4C=CC(C)(C)O4)CC[C@@]3(C)C[C@H]12 2356379269 MVOQGQWZPKEXTB-ZIDFQUNFSA-N 382.544 5.069 50 1 GKGF C[C@@H]1O[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586917912 YIWYODVGEXGHEO-AJAUBTJJSA-N 379.148 5.443 50 1 GKGF COc1c(F)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F 587135101 SZGBRTXZRNECGZ-UHFFFAOYSA-N 386.292 6.174 50 1 GKGF O=C1C[C@@H](c2cccc(CBr)c2F)Oc2c1ccc1c2CCCC1 587504805 NMVNDXJQYILIQP-SFHVURJKSA-N 389.264 5.306 50 1 GKGF CC1(C)[C@@H]2CC[C@@]1(CCl)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543310 KELAKNNXKPAKCB-WLMSZQSKSA-N 398.886 5.158 50 1 GKGF Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)N/N=C/c1ccc(Cl)cc1 1857744853 SWBRDBVVXTXLOD-FSJBWODESA-N 384.266 5.128 50 1 GKGF Cc1ccc(/C=C(\C#N)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 587187562 IRKCXSXOHMFUEK-LDADJPATSA-N 392.487 6.212 50 1 GKGF CCOc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496876 GNPWIIYXTLZFDY-NPMXOYFQSA-N 384.903 5.452 50 1 GKGF CC(C)=CCC[C@H](C)[C@]1(O)CC[C@]2(C)[C@H](Br)CC[C@@](C)(O)[C@@H]2C1 2356800977 QJBOZPLEQLTYDL-BIEDPOGDSA-N 387.402 5.215 50 1 GKGF O=C(N/N=C/c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 45319594 YKJKMVYTFDUUIX-WGOQTCKBSA-N 390.446 5.147 50 1 GKGF Fc1ccc(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(F)c1 587147805 BLRBJHWZALUMOH-QHHAFSJGSA-N 382.304 6.669 50 1 GKGF C=C1CCC[C@@H]2[C@H](CC[C@]3(C)CC[C@H]([C@H](C)C(=O)O)OO3)[C@@H](C)CC[C@]12C 2356333733 VRMMLZKUQZCNHU-LBMANHCSSA-N 378.553 5.765 50 1 GKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3F)c(CCl)c2c1 587642402 NHQPMJLJTLHCMY-LLVKDONJSA-N 394.715 6.989 50 1 GKGF CCc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587502070 ZYWWJUFNNVMDFR-QFIPXVFZSA-N 399.328 5.383 50 1 GKGF CC1=CC(=O)[C@@H]2C(C=O)=CC[C@@H]3[C@H]([C@H](C)C=C[C@@H]4OC4(C)C)CC[C@]3(C)C[C@H]12 2356608786 HPDVXTMBSBRHFZ-ZGZBCSKKSA-N 382.544 5.069 50 1 GKGF [C-]#[N+]C1=C(c2ccc(Cl)cc2)N=C(C)[C@H](C#N)[C@@H]1c1cc2c(N)nccc2o1 169698726 IQLBUVWIQGOXIY-MAUKXSAKSA-N 387.830 5.049 50 1 GKGF COC(=O)C(C)(C)c1ccc(-c2nc3cccc4c3c(c2CCCl)CC4)cc1 587209054 HDNSIRZSYSLUTE-UHFFFAOYSA-N 393.914 5.232 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(Cl)cc1Cl)CC2=O 587460111 ROWMQVXMUQFRLS-IBGZPJMESA-N 399.701 5.751 50 1 GKGF CCc1cccc2c([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587497639 JNFAWQHPZRMPQV-XMMPIXPASA-N 393.914 5.709 50 1 GKGF C[C@H](CCC=CCCC=Cc1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 2356594194 LTMUKXRJUSZQFQ-HUVFLSCGSA-N 386.532 6.187 50 1 GKGF C[C@@](Cl)(/C=C/Cl)[C@@H](Cl)/C=C/[C@@](Cl)(CCl)CBr 73276831 HCTBSUXDIUTHQM-PDVDVHGDSA-N 389.375 5.511 50 1 GKGF N#Cc1ccccc1SCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586964305 ABOLGWMZITUTIR-UHFFFAOYSA-N 391.390 6.384 50 1 GKGF CCCC1(CCC)OOC(CCC)(CCC)OOC(CCC)(CCC)OO1 42876198 UNSSKAWSGDCPGP-UHFFFAOYSA-N 390.561 6.734 50 1 GKGF O=C(Cc1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587070313 GZEQWORWYXVVOT-UHFFFAOYSA-N 396.768 6.299 50 1 GKGF CC1=CC(=O)[C@@H]2C(C=O)=CC[C@@H]3[C@H]([C@H](C)[C@@H]4C=CC(C)(C)O4)CC[C@]3(C)C[C@@H]12 2356379267 MVOQGQWZPKEXTB-FHWCCVJESA-N 382.544 5.069 50 1 GKGF C[C@](Cl)(C=C[C@@H](Cl)[C@@](C)(Cl)C=CBr)CBr 2356628558 XSMHHESOHBEVBV-UTLUCORTSA-N 399.381 5.449 50 1 GKGF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)CC[C@@H]([C@H](C)C(=O)O)OO1 2356802629 SMLFTANGNKPQHM-JUTNUDHDSA-N 392.580 6.155 50 1 GKGF CC(C)n1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21 659646 NWAQMERUTIZGCT-WGARJPEWSA-N 395.462 5.886 50 3 GKGF CC(C)[Si](OC1=CCCCC[C@@]12C(=O)N(C)c1ccccc12)(C(C)C)C(C)C 195457793 IJOMWTSVBNBDPQ-DEOSSOPVSA-N 399.651 6.551 50 1 GKGF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1F 587150923 GDDHYQZNBBMLRC-QWRGUYRKSA-N 396.331 6.770 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@H](Cl)N=O)CC2=O 587460641 VFTYPXMWJZFSJS-RTBURBONSA-N 394.254 5.190 50 1 GKGF C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O[Si](C)(C)C)[C@H]1CC=C(C)CC 2356331960 XDOALGMSEJUNPF-BAMDZGJYSA-N 376.657 6.890 50 1 GKGF CC(=CCO)CC[C@H]1[C@@]2(C)CC[C@H](Br)C(C)(C)[C@H]2CC[C@@]1(C)O 2356475928 VUFPGDSZNJURQC-QBYKVAOYSA-N 387.402 5.072 50 1 GKGF FC(F)(F)[C@](F)(Cl)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587090487 RGXKAUKADNXDAD-QMMMGPOBSA-N 378.647 6.144 50 1 GKGF C[C@H](Cl)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320426 AEFCZSLFLAXXDN-BKAZIGDYSA-N 396.845 5.413 50 1 GKGF CC(C)(C)[C@]1(C(Cl)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324565 RKAIQSVFMHHZEM-UZLBHIALSA-N 397.273 5.479 50 1 GKGF CC(C)CCC[C@H](C)CCC[C@H](C)CCCC1=CC[C@@H]2C(=O)OC(=O)[C@H]2C1 253694558 UJZSKNNWYHCFEO-LGGPRVQUSA-N 376.581 6.462 50 1 GKGF N#C/C(=C/c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587188854 WIHLRJRNMWIHTD-ATVHPVEESA-N 378.460 5.904 50 1 GKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccccc2)[C@H]1c1ccc(F)cc1 587325885 HJVQYBYIEDCJHW-UNMCSNQZSA-N 382.818 5.025 50 1 GKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(F)cc1 587570518 LDQLJUPWMIBHNC-SIKLNZKXSA-N 398.817 5.017 50 1 GKGF O=C(/N=N/c1ccc(Br)cc1)NNc1ccc(Br)cc1 17255666 YMUUVSDUCNXTIA-HTXNQAPBSA-N 398.058 5.032 50 1 GKGF COc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587496021 BGXDJEQGSYMILV-NRFANRHFSA-N 391.294 5.327 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)([C@@H](C)Cl)N1 587686291 CDXFSDMPPYKWGX-VPZZIHKRSA-N 396.731 5.188 50 1 GKGF C[C@H](Cl)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587883057 URSJGDPGUWUPBB-ZDUSSCGKSA-N 380.702 5.004 50 1 GKGF C=C[C@](C)(O)CC[C@]1(O)[C@H](C)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@@]21C 2356673942 RZGHGVYSEQLDBS-LFMXGZDGSA-N 387.402 5.071 50 1 GKGF CC(=O)Oc1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 103867972 LDRPKVCCFAYGJB-NTKDMRAZSA-N 398.462 5.337 50 1 GKGF O=C(O)[C@@H](CCCCCCCI)CCC1CCCC1 1911571658 LTXOZEGCTMTEBX-HNNXBMFYSA-N 380.310 5.433 50 1 GKGF C[C@@]1(CC(=O)NCc2ccc(-c3ccccc3)cc2)CC2(CCCCC2)OO1 44417429 CEBOIAHQPQFNRQ-HSZRJFAPSA-N 379.500 5.173 50 1 GKGF C=CCn1c(C)cc([C@@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)c1C 587459273 HIUFINSESKPMMR-QFIPXVFZSA-N 387.907 5.049 50 1 GKGF C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)NCCc2c(Cl)cc(Cl)cc21 963121443 LLUVPYQWSDLFEX-ZSEKCTLFSA-N 396.789 6.308 50 1 GKGF C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@]2(CSc1ccc(Cl)cc1)c1ccccc1 44032174 BIEDNDKWYIQBRJ-LRGNLBRXSA-N 390.932 5.209 50 1 GKGF Cc1c(Br)cc2nc([C@H](Br)C(C)(C)F)[nH]c2c1C 587086710 GXTLWKSKGDYQEK-NSHDSACASA-N 378.083 5.126 50 1 GKGF C[C@H](Cl)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587500207 YQYJOFXDMQXTOZ-PSLXWICFSA-N 379.887 5.535 50 1 GKGF CC1=CC[C@H](Br)C(C)(C)[C@@]12CC[C@](C)(Cl)[C@@H](Br)C2 105467436 ZPXHDWNADVHCRP-NZBPQXDJSA-N 398.610 6.057 50 1 GKGF [C-]#[N+]C1=C(c2ccc(Cl)cc2)N=C(C)[C@@H](C#N)[C@H]1c1cc2c(N)nccc2o1 169698727 IQLBUVWIQGOXIY-QAPCUYQASA-N 387.830 5.049 50 1 GKGF Cc1ccc2c(ccc3nc([C@@H](C)c4ccc(CBr)cc4)[nH]c32)n1 586974233 SYTWXBKXVWWJJF-ZDUSSCGKSA-N 380.289 5.466 50 1 GKGF O=N[C@H](Cl)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500209 YUNITLBOOHSUSM-PMACEKPBSA-N 390.266 5.411 50 1 GKGF CO[C@@H]1[C@H]2C[C@H](C(C)C)[C@@]3(CC[C@]4(C)[C@H](Br)CC[C@](C)(O)[C@@H]4[C@H]13)C2 2356530553 FKYQRKFANNKCHE-JREZKSJYSA-N 399.413 5.024 50 1 GKGF C=C[C@@](C)(O)CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]21C 140420418 ZOMPGFXUEOKUFB-FDGFBPQASA-N 387.402 5.071 50 1 GKGF CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](N=C=S)[C@@](C)(CC[C@@H]21)C3 169640447 RGYPPLKKXAKBRV-KIEPGZPZSA-N 389.605 5.824 50 1 GKGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(CCl)cc1)[C@@H](C2)C3=O 587424279 YSJHLFKYVBVPRY-GBXCKJPGSA-N 390.866 5.125 50 1 GKGF Cc1ccc([C@@H](Cl)[C@]2(c3ccc(C)cc3)NCCc3ccc(O)cc32)cc1 963353792 SZAZTLXSVOQQMK-DNQXCXABSA-N 377.915 5.378 50 1 GKGF COc1ccc(CSS/C=C/C[S@@](=O)Cc2ccc(OC)cc2)cc1 73197636 WVJMPUWJWCALBP-VEXGVCMKSA-N 394.583 5.048 50 1 GKGF CCC(C)(C)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 586881018 JVAPWDGXYDZXTC-UHFFFAOYSA-N 390.421 7.575 50 1 GKGF COc1cc2c3c(c1)O[C@@H](c1cccc(S(F)(F)(F)(F)F)c1)[C@@H](C2)C3=O 587429665 WGGDEQZMWOBXBE-GUYCJALGSA-N 392.345 5.841 50 1 GKGF CCc1cc(S(F)(F)(F)(F)F)cc2c1O[C@H](C(F)(F)F)C(C(=O)O)=C2 1772626639 LFEYXCXOYJHQMW-NSHDSACASA-N 398.271 5.698 50 1 GKGF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(CCCC[C@]5(C)C3=CC[C@]12C)OO4 2356413557 CZLIBAKQDCPVLQ-WUERPHQNSA-N 396.615 7.177 50 1 GKGF N[C@@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@H]1c1ccccc1F 587157016 QRYKXICKXUKUMR-ZBEGNZNMSA-N 393.356 5.701 50 1 GKGF COc1cccc(-c2cc(-c3cccc(CCl)c3)nc3c2oc2ccccc23)c1 587357637 JNJYCBVAPSHLMV-UHFFFAOYSA-N 399.877 7.062 50 1 GKGF Cc1cc(C)c([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587500420 WTINIZVNCVJTCP-BXKMTCNYSA-N 382.931 5.979 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1csc3ccccc13)CC2=O 587498296 ZRGVSJIJRMRWCL-OAQYLSRUSA-N 386.900 5.659 50 1 GKGF Cc1cc(Cl)cc2c(CCCl)c(-c3ccc(Br)cc3)[nH]c12 587624180 ZFSLHNRTASVELM-UHFFFAOYSA-N 383.116 6.341 50 1 GKGF COC(=O)C[C@]1(C)C[C@](C)(C[C@@H](C)C=CC[C@H](C)C=Cc2ccccc2)OO1 2356312983 PEOWGKDHNJAAEI-NVXDSCFRSA-N 386.532 5.741 50 1 GKGF CCCC[C@H](CC)CC(=C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1)CC 2356423967 MQOXHEXIFJRZSO-VXPBHUBDSA-N 382.585 6.388 50 1 GKGF CN(C)c1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=CC=C2C=O)cc1 40976269 DHWSQZXKDOOHAA-HHHXNRCGSA-N 379.503 6.116 50 1 GKGF CC1=CC[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)O[C@@H]1CBr 86033563 BVMIPASLGLRPCO-OSFYFWSMSA-N 380.164 5.075 50 1 GKGF biogenic C=C[C@](C)(O)CC[C@]1(O)[C@H](C)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]21C 2356673943 RZGHGVYSEQLDBS-NUBKVZTMSA-N 387.402 5.071 50 1 GKGF CC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NCCCl 66079698 LKKCKRCEIZWGQJ-MBMMKWFLSA-N 375.984 6.429 50 1 GKGF C=CC[C@@H]1[C@H]2CC[C@@](O[Si](C(C)C)(C(C)C)C(C)C)([C@@H](C(=O)OC)C2)[C@H]1O 254081291 YIBLHUPWAMRDEZ-GXQSQTKBSA-N 396.644 5.073 50 1 GKGF C[C@@H](F)[C@@H](N)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587126814 ZEDMFKVRXNUNTD-SPGJFGJESA-N 398.170 5.341 50 1 GKGF CC(C)(C)c1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CCl)cc1 587649225 MNPNZQDLDBEXTF-UHFFFAOYSA-N 375.921 5.275 50 1 GKGF C[C@@H]1CC[C@H]2CCO[C@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@@]23OO4 195289927 AWWQKXVEUVMHGL-CIKNZCACSA-N 392.923 5.279 50 1 GKGF C[C@@H](Cl)[C@@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587497747 KRSJJOZBQLDPQY-OYLFLEFRSA-N 380.915 5.542 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccccc2)N1 587686436 VHTZHWDJMTYVNV-ORAYPTAESA-N 396.731 5.385 50 1 GKGF C=CC(C)(C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587954484 WZUKLDHFGZUZGN-UHFFFAOYSA-N 391.203 6.446 50 1 GKGF C[C@H](C=CC=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356586879 QZKKZSSKSNFSOQ-IRHCZACHSA-N 398.631 6.178 50 1 GKGF COc1cnc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1Cl 587064916 QHVWQLFKOJGUPE-UHFFFAOYSA-N 385.745 5.944 50 1 GKGF O=C1C[C@H](c2cccc(F)c2CBr)Oc2c1ccc1c2CCCC1 587509839 XDHTXXFASOZBGQ-LJQANCHMSA-N 389.264 5.306 50 1 GKGF CC(=O)O[C@H](C=C(C)C)CC(C)=C1CC[C@](C)(Br)[C@H](Cl)C1 2356426074 OSZNJZCBXHOYRJ-ZACQAIPSSA-N 377.750 5.536 50 1 GKGF CC=C(C)C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@@H]21)[C@@H](C)[C@@]45C 2356433356 HSAIBHCFNQHMCX-AQDPHTMNSA-N 396.571 5.847 50 1 GKGF Cc1ccc2c3c(c(CCCl)c(CCCCl)nc13)-c1ccccc1C2=O 586992391 AVBMMAWIGVQPKS-UHFFFAOYSA-N 384.306 5.707 50 1 GKGF C=CC[C@@H]1[C@H]2CC[C@@](O[Si](C(C)C)(C(C)C)C(C)C)([C@@H](C(=O)OC)C2)[C@@H]1O 254081294 YIBLHUPWAMRDEZ-SXEONFLVSA-N 396.644 5.073 50 1 GKGF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(S(F)(F)(F)(F)F)cc4[nH]1)(C3)C2 587969617 RDMSOHWBMZWYPH-FYBJUZMNSA-N 392.393 5.867 50 1 GKGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](CCBr)CC3 587101534 HNNPVBINXJODGT-LBPRGKRZSA-N 378.269 5.261 50 1 GKGF CCOP(=S)(OCC)SCSP(=S)(OCC)OCC 2034740 RIZMRRKBZQXFOY-UHFFFAOYSA-N 384.487 5.005 50 1 GKGF C/C(=C\CBr)CC[C@@H](Br)C(C)(C)Br 73315158 PXKOESLWITWTLF-BNICOGTQSA-N 376.958 5.045 50 1 GKGF O=C1C[C@@](c2ccc(Cl)cc2)(C(Cl)Cl)Oc2c1ccc1c2CCCC1 587499531 UYKBUNYVSMZBQP-HXUWFJFHSA-N 395.713 5.883 50 1 GKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 2356793543 KOPJTRKWLYJVCH-OYDLWJJNSA-N 386.532 5.882 50 1 GKGF CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccco1 34802425 DSZQLLLCDWIEMW-UOFXHNCJSA-N 380.469 5.214 50 1 GKGF CCCc1c(O)ccc2c1O[C@@H](c1cccc(F)c1CBr)CC2=O 587467214 RLASCUBKWGMVCF-GOSISDBHSA-N 393.252 5.085 50 1 GKGF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(CCCC[C@]5(C)C3=CC[C@@]12C)OO4 2356753915 PHIXKPKYKLOBJF-MPHWZXNISA-N 396.615 7.177 50 1 GKGF O=c1c2ccc(F)cc2ncn1CCCCCCCCCCBr 473111618 AUYZBSUUOCSOGL-UHFFFAOYSA-N 383.305 5.051 50 1 GKGF COC(=O)Nc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587243229 GZLWLBQZMOGPQA-UHFFFAOYSA-N 393.337 6.066 50 1 GKGF CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccn1 40447716 PCAIMHWXGUYYNS-VSRNGQBXSA-N 391.496 5.016 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587087936 PSOVMZCDZJGHSP-UHFFFAOYSA-N 393.768 7.022 50 1 GKGF COc1cc2c3c(c1)O[C@](CCCl)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587421489 MNXLQNDVFSXRHQ-FDDCHVKYSA-N 384.903 5.265 50 1 GKGF CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(CSc1ccccc1)c1ccccc1 101415256 WURFGWKURSAVKR-YPIGPJMWSA-N 398.524 5.127 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N=C=S)c2)N1 587845820 STSPWLWDOZUZQP-BBATYDOGSA-N 391.309 5.120 50 1 GKGF N#CC(C#N)=Cc1c(C(F)(F)F)nn(-c2ccccc2)c1-c1ccc(Cl)cc1 84596055 HIZHSGYULNVIOT-UHFFFAOYSA-N 398.775 5.642 50 1 GKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3cn(C)c4ccccc34)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103192684 XONOGXHDHZBDNF-CENATWARSA-N 397.515 5.101 50 1 GKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=O)C(C)(C)CCC1 230121435 PJEHRCCPERVGEC-SESKEPTHSA-N 376.584 7.776 50 1 GKGF in-vitro CC(C)(F)[C@H](Br)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587087163 MLPQJXJIVOUHPT-SECBINFHSA-N 397.182 6.404 50 1 GKGF CCCCCCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372242 KBBBPIGSZDDGSK-QHCPKHFHSA-N 385.935 5.800 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(Cl)sc1Cl)O2 587409052 FSPGVUDZHCLJGQ-OAHLLOKOSA-N 376.692 5.045 50 1 GKGF N#Cc1c(CCl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n2ccccc12 587496530 DRLBGTSSASKOFZ-NRFANRHFSA-N 390.870 5.135 50 1 GKGF CCCCC[C@H](C=CC=CC=C[C@@H](CC=CCC=CCCC(=O)O)OO)OO 2356725529 OBXRYBLVMCAPKM-NHCUHLMSSA-N 394.508 5.709 50 1 GKGF CC/C=C/[C@H](CC)C/C(=C/[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1)CC 138483132 PAXJPQSBALSCDZ-XIHKMATNSA-N 380.569 6.164 50 1 GKGF C/C=C(/C)C(=O)OC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@@H]4[C@@H]5C[C@@]3(CC[C@H]12)C[C@@]45C 525915245 OTWDRWVSTSNGQX-LGXAWMAOSA-N 382.544 5.601 50 1 GKGF biogenic Cc1ccc(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F 587146563 QHVDHAGBKKYGMM-QPJJXVBHSA-N 378.341 6.838 50 1 GKGF CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(CSc1ccccc1)c1ccccc1 43531633 WURFGWKURSAVKR-SNJCGAMXSA-N 398.524 5.127 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(C(C)C)cc1C(C)C)O2 587372729 MTZRPZFBLGFQTQ-HSZRJFAPSA-N 385.935 5.924 50 1 GKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C1CC1 587497223 HTFDMKIKWDYVRW-HSZRJFAPSA-N 383.919 5.418 50 1 GKGF CC[C@H](C)c1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500222 YYXBXUWLUVWGMV-FYSMJZIKSA-N 382.931 6.178 50 1 GKGF CC(C)(F)[C@H](Br)c1nc2cccc(OCc3ccccc3)c2[nH]1 587087314 OFUOZCVOVLDYGF-MRXNPFEDSA-N 377.257 5.326 50 1 GKGF O=C1C[C@@](CBr)(C2CCCCC2)Oc2c1ccc1c2CCCC1 587501341 XCCLXGKYLAWGMQ-HXUWFJFHSA-N 377.322 5.245 50 1 GKGF Cc1ccc(C)n1-c1ccc(C(=O)NN=C(c2ccccc2)c2ccccc2)cc1 103175722 FZPJTIQMUVBPAX-UHFFFAOYSA-N 393.490 5.277 50 1 GKGF Cc1ccc(SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C)c1 586963485 JZSBBJMBMPYWPA-UHFFFAOYSA-N 394.434 7.129 50 1 GKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1 587084397 LRLHUBUNNQTWAL-UHFFFAOYSA-N 390.164 6.589 50 1 GKGF CC(C)=CCC[C@H](C)[C@]1(O)CC[C@@]2(C)[C@H](C1)[C@@](C)(O)CC[C@H]2Br 2356800979 QJBOZPLEQLTYDL-MJUPKGCFSA-N 387.402 5.215 50 1 GKGF O=CC1=CC=C(c2ccc(-c3ccccc3)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 40980335 ATYHHTLYIZLCHV-VWLOTQADSA-N 381.431 5.958 50 1 GKGF C/C(=C/C(Cl)Cl)[C@@H](Br)/C=C/[C@@](C)(Cl)CBr 85952131 XYWJXYNATGBZQB-ZYYGRHTGSA-N 399.381 5.449 50 1 GKGF biogenic,in-vitro COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1N=C=S 587919902 ZYHCGVAAIUFAPD-UHFFFAOYSA-N 378.678 5.245 50 1 GKGF N#C/C(=C\c1cccc2cnccc12)c1c[nH]c2c(CN3CCCC3)cccc12 1857774330 CNZOQZIOMQSCEL-FYJGNVAPSA-N 378.479 5.376 50 1 GKGF O=CC1=CC=C(c2ccc3c(c2)Cc2ccccc2-3)C[C@@H]1c1ccc([N+](=O)[O-])cc1 40980221 XHWREFFKEPYUOD-AREMUKBSSA-N 393.442 5.862 50 1 GKGF CC[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(CCCC[C@]5(C)C3=CC[C@]12C)OO4 49881709 CZLIBAKQDCPVLQ-IHKUXXAMSA-N 396.615 7.177 50 1 GKGF Cc1ccc2oc(=O)c(-c3cccc(OCCCCBr)c3)cc2c1 653778046 BKGUXURSCXCLRJ-UHFFFAOYSA-N 387.273 5.322 50 1 GKGF O=P(CCCCCN=C=S)(OCc1ccccc1)OCc1ccccc1 1772617483 YMQVYBMIYFVQBW-UHFFFAOYSA-N 389.457 5.886 50 1 GKGF C=C(CC[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCCC2)OO1 43356606 NTQUAEOCUORVMR-DHIUTWEWSA-N 380.484 5.341 50 1 GKGF O=C1C[C@@H](c2ccccc2CCBr)Oc2c1ccc1c2CCCC1 587498986 KXDAROMSESQZHH-FQEVSTJZSA-N 385.301 5.209 50 1 GKGF Cc1c(C)c(C)c([C@@]2(CCl)c3c(F)cccc3C[C@@H]3CCCN32)c(C)c1C 963103832 ODVRZRJSUYLPOF-RDPSFJRHSA-N 385.954 5.871 50 1 GKGF CCCCCCCCCC=CC#CCCC[C@@]1(OC)CC[C@@H](CC(=O)O)OO1 2356648380 YLKDYIIQSISYAD-GMAHTHKFSA-N 394.552 5.785 50 1 GKGF CCCCCC=CC=C[C@@H](CCCCCCCC(=O)OC)O[Si](C)(C)C 2356406640 BOHZEIJAHJPBDP-NRFANRHFSA-N 382.661 6.803 50 1 GKGF Cc1ccc(C2OOC(c3ccc(/C=N\c4ccccc4S)cc3)OO2)cc1 72173466 PXJUOFSYEAMYGS-UCQKPKSFSA-N 393.464 5.642 50 1 GKGF COc1ccc(CSC/C=C/SSCc2ccc(OC)cc2)cc1 73197638 UJPVVPSYUJFMCH-QLKAYGNNSA-N 378.584 6.032 50 1 GKGF CC(C)CC=CC[C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@H]3CC[C@H](O)C[C@@]34CC[C@@]12OO4 2356708310 KWNQCEPDCGGDIX-ZZMKOGLSSA-N 388.592 5.816 50 1 GKGF CC1=C(C#N)[C@@H](c2ccccc2OC(C)C)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 103996648 JLTMOIOVELDMJP-UQBPGWFLSA-N 398.506 6.199 50 1 GKGF CCCC[C@@H](CC)COC(=O)/C(C#N)=C(/c1ccccc1)c1ccc(OC)cc1 113632070 WAJCJDLRJVDSSD-QNBCRBJRSA-N 391.511 5.780 50 1 GKGF world C[C@@H](c1ccc(CBr)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586973742 NQDUCVXKTHEPJL-ZETCQYMHSA-N 387.174 5.166 50 1 GKGF Cc1ccc(C)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587501786 YDMDGXAUBMPAKD-JOCHJYFZSA-N 399.328 5.438 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2cccs2)N1 587847234 JRQXWGCUTJQJTL-QLJPJBMISA-N 388.733 5.056 50 1 GKGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1CC[C@@H]2Br 587495471 DGYGASCQBGXOTO-UNMCSNQZSA-N 397.312 5.136 50 1 GKGF C=C[C@]1(C)C2=C3c4c([nH]c5cccc(c45)C(C)(C)[C@H]3C[C@@H]1Cl)C(C)(C)C(C)=C2 2356787982 WAHCZMDVXMNQTN-DOUBQNQPSA-N 391.986 7.270 50 1 GKGF CC[C@](C)(c1ccc(O)cc1)[C@H](CCCCNCCCl)c1ccc(O)cc1 29328415 DDMSRVDLVGHQNV-DHIUTWEWSA-N 389.967 5.548 50 1 GKGF CCCCCCCCCCCCCSC[C@H](NC(C)=O)C(=O)CCl 43411530 MGDVCBKILJALKF-SFHVURJKSA-N 378.022 5.343 50 1 GKGF Cc1ccc([C@]2(CCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587686105 SOPRUJGUFPDONL-YJYMSZOUSA-N 396.731 5.303 50 1 GKGF N=C(CCl)NCCCc1nc(-c2cccc(-c3ccccc3)c2)c(Cl)[nH]1 1857550631 CCJHJEGQQRESRQ-UHFFFAOYSA-N 387.314 5.135 50 1 GKGF C=CCCCCCCCC=CC#CCCC[C@@]1(OC)CC[C@H](CC(=O)O)OO1 2356407494 CNFIAJKVMUSRIA-GGAORHGYSA-N 392.536 5.561 50 1 GKGF [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)([N+]#[C-])CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 59304176 ULUHGZAAPMJKNO-QJUHQHJTSA-N 392.971 5.095 50 1 GKGF Cc1ccc(C)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587689723 VGTDMIGNSOZZSG-DJJJIMSYSA-N 396.731 5.222 50 1 GKGF CCOC(=O)[C@@H](Cl)c1nc2cccc3c2c(c1C(C)C)-c1ccccc1C3=O 587102119 QXMCOGCAZPCBGT-FQEVSTJZSA-N 393.870 5.413 50 1 GKGF CCCCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500055 YCPVPIMLVOUXOR-XMMPIXPASA-N 382.931 6.008 50 1 GKGF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]12 137027974 PLWMYIADTRHIMY-IGBCFUASSA-N 386.576 5.277 50 1 GKGF O=[N+]([O-])c1cccc(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587270869 VKIKEXQEFBITBD-UHFFFAOYSA-N 393.337 5.914 50 1 GKGF C=C1CC[C@H](Br)[C@]2(C)CC[C@@H](C(C)=CC=CC(C)(C)OC)C[C@@]12O 2356435263 ABUOJYVVQSTENN-YXYSEUPNSA-N 397.397 5.565 50 1 GKGF COc1ccc2c([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c2c1 587497799 KYYZDKTZIDAKNO-QHCPKHFHSA-N 395.886 5.155 50 1 GKGF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(NC(=O)CCl)c2c1 587638906 JRTXPVIXFHIVCJ-LBPRGKRZSA-N 375.299 6.179 50 1 GKGF CCC=C[C@H](CC)C[C@H](CC)C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356742663 QAMYVKULCKIRQZ-YKZCJQPKSA-N 382.585 6.244 50 1 GKGF CC(C)(C)N(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1Cl 653913879 MCSUCNAIQSXFFY-UHFFFAOYSA-N 399.705 5.233 50 1 GKGF CC(=CCO)CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)[C@@H](Br)CC[C@]21C 2356475926 VUFPGDSZNJURQC-HDHSKVTNSA-N 387.402 5.072 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(C3CC3)c1C)CC2=O 587459204 GVCBJCCLRIZQSZ-JOCHJYFZSA-N 387.907 5.197 50 1 GKGF COc1cc2ncnc(Cl)c2cc1OC/C=C/S(F)(F)(F)(F)F 1857744977 GUYKWGPDDGXSPO-DUXPYHPUSA-N 376.734 5.483 50 1 GKGF CC(C)=CCC[C@](C)(O)C=CC=C(C)[C@@H]1CC[C@@](C)(O)[C@H](Br)C1 2356659574 JNQVRZLAPNDWBX-YSTOQKLRSA-N 385.386 5.301 50 1 GKGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CCCBr)[C@@H]2O 26257973 NKYWUIDJPNFZAP-XCRSBDITSA-N 393.365 5.010 50 1 GKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2nc3ccccc3s2)N1 962951925 JIRSREGYOZZKER-YEJXKQKISA-N 381.932 5.184 50 1 GKGF C[C@@H](C=CC=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356365340 KLMBCSCMLLUEQQ-GAPDDECHSA-N 384.604 5.788 50 1 GKGF CC(C)=CCC[C@]1(C)C/C(=C(/Cl)CN=C(Cl)Cl)C[C@H](O)[C@H]1Cl 85636920 NWMWDIMFPYWPMI-RVLRRZAOSA-N 387.178 5.828 50 1 GKGF CN(C)CC#CCCC(=O)[C@@](O[Si](C)(C)C)(c1ccccc1)C1CCCCC1 195252610 CNRHESWQXCUNDG-XMMPIXPASA-N 399.651 5.228 50 1 GKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CCC(=O)C(C)C 473119886 NGKGLSFRRMQQBA-GTAWCEEGSA-N 385.386 5.445 50 1 GKGF Cc1ccccc1C(C)(C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587955415 OVHRBFUBMWQZRU-UHFFFAOYSA-N 376.394 6.855 50 1 GKGF C/C(C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C 38388553 MWEPRWWNHJVNMU-KNWYRSANSA-N 382.544 5.449 50 1 GKGF CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(/C=C\c1ccccc1)c1ccccc1 101406570 IWLDRSHCOSMYIA-TVLCXMSGSA-N 378.468 5.048 50 1 GKGF CCCCC/C=C\CC[C@H](CCCCCCCC(=O)OC)O[Si](C)(C)C 195806804 ZUPXSCMRFYXOOJ-JQZHBYGZSA-N 384.677 7.027 50 1 GKGF CCC=CC[C@@H](C=CC=CCC=CC=C[C@H](CCCCCC(=O)O)OO)OO 2356616196 SRKAMEOZEBOPRP-LEWJYISDSA-N 394.508 5.709 50 1 GKGF [C-]#[N+][C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 84672098 LVOCWYJKDHYYGK-PGAJIAHISA-N 397.691 8.396 50 1 GKGF CCOC(=O)c1nc2cccc3c2c(c1CCCCCl)-c1ccccc1C3=O 587103949 NFSLNMNOTDBPIU-UHFFFAOYSA-N 393.870 5.184 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 587781414 UVOAKAXISXENTE-QPJJXVBHSA-N 390.377 6.450 50 1 GKGF COC(=O)CCCCCCC/C=C\C/C=C\CCCCCO[Si](C)(C)C 195805937 PXCVUVNYVTZSNY-AZFXQDNWSA-N 382.661 6.805 50 1 GKGF Cc1c(C)c(C)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C 587495815 ACFPKOPLGDBZJI-VWLOTQADSA-N 396.958 6.207 50 1 GKGF C[C@H](Cl)[C@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507784 STDVJGOYEJOPON-QKVFXAPYSA-N 376.830 5.332 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=C[C@@H]1C(C)(C)C[C@@H](O)C[C@]1(C)O 2356284435 ARDVFBZKQUUHJT-OYRHQHFDSA-N 384.560 5.241 50 1 GKGF CC1=C(/C=C/C2=CC=C(C=O)[C@H](c3ccc(N(C)C)cc3)C2)C(C)(C)CCC1 40973870 YDHXFBSQODWRFP-RGCCYVKUSA-N 375.556 6.374 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccccc3)c1C)O2 587372958 OLKCWIAVYFGDDS-HSZRJFAPSA-N 394.902 5.084 50 1 GKGF C[C@](Cl)(C=C[C@H](Cl)[C@](C)(Cl)C=CBr)CBr 2356628557 XSMHHESOHBEVBV-LPEHRKFASA-N 399.381 5.449 50 1 GKGF O=c1c(-c2cccc(Oc3ccccc3)c2)c(O)[nH]c2cc(N=C=S)ccc12 13801562 OCUAUPYUQHXORS-UHFFFAOYSA-N 386.432 5.427 50 1 GKGF C=C1CCC[C@@H]2[C@@](C)(CC[C@]3(C)CC[C@@H]([C@@H](C)C(=O)O)OO3)[C@H](C)CC[C@@]12C 139759344 SQNNYRWDFNZPBJ-FMWKKIILSA-N 392.580 6.155 50 1 GKGF O=C1C[C@@](CCl)(c2c[nH]c3cc(F)ccc23)Oc2c1ccc1c2CCCC1 587503265 DLBGRWFQMUKLET-JOCHJYFZSA-N 383.850 5.285 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(/C=C/CCBr)cc1 587898853 SONIIVWZHOLNHV-DUXPYHPUSA-N 375.693 5.547 50 1 GKGF COc1ccc(Cl)cc1C#Cc1cc(CBr)c(Cl)s1 587918776 IPAUIDJFSAWQIJ-UHFFFAOYSA-N 376.102 5.358 50 1 GKGF CC(=O)O[C@H](C=C(C)C)CC(C)=C1CC[C@@](C)(Br)[C@H](Cl)C1 2356426071 OSZNJZCBXHOYRJ-BRWVUGGUSA-N 377.750 5.536 50 1 GKGF CCC=CC=CC=CCCCCCCCC[C@]1(C)C[C@@](C)(CC(=O)OC)OO1 2356648635 KQFXTDFWOPMDIE-DNQXCXABSA-N 392.580 6.618 50 1 GKGF N#C/C(=C\c1ccccc1OCCN1CCCCCC1)c1noc2ccccc12 40554650 SNTTVCRHCCSJDF-LVZFUZTISA-N 387.483 5.147 50 1 GKGF CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C(F)F)c2)C(C)(C)C)cc1 103185758 OCIRSXXHFHUKER-UHFFFAOYSA-N 388.458 5.081 50 1 GKGF CCSC1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)C2=C(O)CC(C)(C)CC2=N1 103688227 ODDAKFBNTSPHHO-IBGZPJMESA-N 398.528 5.362 50 1 GKGF COc1cccc(-c2c(CCCl)c(CCl)nc3c2oc2ccccc23)c1 587357436 IVMKLRJOSBQIRN-UHFFFAOYSA-N 386.278 6.177 50 1 GKGF CCCc1c(O)ccc2c1O[C@](C1CC1)([C@H](Cl)c1ccccc1F)CC2=O 587466656 NDFNKHGNOXFQST-FGZHOGPDSA-N 388.866 5.578 50 1 GKGF CCSC1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)C2=C(O)CC(C)(C)CC2=N1 103688233 ODDAKFBNTSPHHO-LJQANCHMSA-N 398.528 5.362 50 1 GKGF O=C(N/N=C/C1=C(Cl)c2ccccc2CCC1)c1cccc(C(F)(F)F)c1 299829822 VKIYFDAQODUDPP-BRJLIKDPSA-N 392.808 5.407 50 1 GKGF CCCOc1cc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2cc1Br 587188141 OSZFQHVWRCLAAO-DHDCSXOGSA-N 396.288 5.487 50 1 GKGF O=C1C[C@H](c2cc(F)ccc2CBr)Oc2c1ccc1c2CCCC1 587507218 UYSPDOPPZMCUJW-LJQANCHMSA-N 389.264 5.306 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCCCl)c1ccc(Cl)s1 963237881 HGDWCCPIMRXUPK-YWZLYKJASA-N 382.400 6.321 50 1 GKGF COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587421492 MNXLQNDVFSXRHQ-MBSDFSHPSA-N 384.903 5.265 50 1 GKGF C=C[C@@]1(C)CC[C@@H]2O[C@@]2(C)CC[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)O1 14688425 WJKFHIRVWBSMNS-GJCUDGATSA-N 385.386 5.638 50 1 GKGF N#Cc1ccc(Nc2nccc([C@@H](Cl)c3ccc(Br)cc3)n2)cc1 169348994 OTJSTTSUYJQYTL-KRWDZBQOSA-N 399.679 5.183 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 587058442 GNNXAAPFXHNKIA-UHFFFAOYSA-N 382.785 6.659 50 1 GKGF N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H]1c1ccccc1F 587157013 QRYKXICKXUKUMR-BDJLRTHQSA-N 393.356 5.701 50 1 GKGF C[C@@H](C=CC=O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356586880 QZKKZSSKSNFSOQ-LYWXVEBZSA-N 398.631 6.178 50 1 GKGF CCO/C(O)=C1\C(C)=NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1CC(C)C 103871953 TZDOQDIBYYRJNQ-MBOBHEEDSA-N 398.528 5.281 50 1 GKGF C=C1CCCC(C)(C)[C@H]1CC[C@H](C)CCC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1 238775682 VCZNGUOXJKTDBG-YFHLLIBNSA-N 394.596 6.546 50 1 GKGF [C-]#[N+]COc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 261103795 HAMFDEMVIOTUAN-UHFFFAOYSA-N 394.478 5.262 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccccc2)N1 587686398 UWNTVQJQGSOUSE-BFUOFWGJSA-N 396.731 5.385 50 1 GKGF C[C@@](Cl)(/C=C/Br)[C@@H](Cl)/C=C/C(=C/Cl)C(Cl)Cl 144709720 WSTOEGOKMOGOKF-XEQCIDBGSA-N 387.359 5.983 50 1 GKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)c1ccc2c(c1)cc(O)n2C 963221625 ALTCBFARRIMERK-HJPURHCSSA-N 382.935 5.023 50 1 GKGF O=C(N/N=C/c1ccc(/C=C/C(=O)c2ccccc2Cl)cc1)c1ccccc1 1772629805 NIXGUTRGVAWVID-RDSQNGBTSA-N 388.854 5.000 50 1 GKGF Cc1cccc(OCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1C 587564805 YJGUMJFQCYBOJL-UHFFFAOYSA-N 378.366 6.416 50 1 GKGF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@](C)(C=CC=O)C[C@@]3(C)CC[C@]21C 2356614031 FISNANYLARCGOG-OKOGDZDTSA-N 398.631 6.776 50 1 GKGF Cc1ccc(C2OOC(c3ccc(CNc4ccccc4C)cc3)OO2)cc1 72174432 ZBXUFRLMEVXCCD-UHFFFAOYSA-N 377.440 5.523 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c(Cl)ccc(F)c1Cl)O2 587381904 MYRCVRLKOXHJFX-QGZVFWFLSA-N 388.653 5.123 50 1 GKGF Cc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587500081 QDUJTQRJCRKAKD-JOCHJYFZSA-N 399.328 5.438 50 1 GKGF CC(C)=NNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 73170166 PBXNUSKQACNCFI-UHFFFAOYSA-N 376.847 5.162 50 1 GKGF C[C@H](CCCCCCCCc1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 146449047 ZYFCXJKANKAQQT-HUVFLSCGSA-N 390.564 6.330 50 1 GKGF C[C@]1(c2ccc(N=C=S)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611950 HWFVXURHBYNOHH-DENIHFKCSA-N 389.432 5.004 50 1 GKGF C[C@H](C=CC=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 2356476235 FFAHKEMMBZQSGI-JSQUUBCPSA-N 398.631 6.488 50 1 GKGF C[C@H](CCCCCCCCc1ccccc1)C[C@]1(C)C[C@@H](C)[C@](C)(O)OO1 2356509020 YSHAXSNVWDJIDZ-LUGTWXOSSA-N 376.581 6.441 50 1 GKGF C[C@H](C(=O)O)[C@@H]1CC[C@@](C)(CC[C@@]2(C)C3=CCCC(C)(C)[C@@H]3CC[C@H]2C)OO1 42877629 GDGRBTCRWIRALV-LXCIQGLGSA-N 392.580 6.155 50 1 GKGF CC1=CC[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 85951522 ZPXHDWNADVHCRP-MXYBEHONSA-N 398.610 6.057 50 1 GKGF biogenic CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC)cc1)([C@H](C)Cl)CC2=O 587458212 HSXXHGBHPUPHJW-RCDICMHDSA-N 388.891 5.231 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@H](C)Cl)CC2=O 587461142 XKASNYAYXFSDOB-FKIZINRSSA-N 379.283 5.486 50 1 GKGF C[C@@H](Cl)C(=O)Nc1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587497614 JKLPHBPHMGVZNN-FATZIPQQSA-N 397.902 5.012 50 1 GKGF CC(C)=CCC[C@H](C)C1=CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@]3(C)O)C(C=O)=CC[C@H]12 2356541858 YVGINRGIDPTPQF-OUIBWCQGSA-N 384.560 5.197 50 1 GKGF CCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587684513 KQWKOBZHLRKHCV-BUXKBTBVSA-N 396.731 5.167 50 1 GKGF CCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587685011 NMKAZGDKIHLODM-CWTRNNRKSA-N 396.731 5.167 50 1 GKGF CC(C)=CCC[C@H](C)[C@]1(O)CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(C=O)=CC[C@@H]21 2356646722 NELFJHALXVSFHU-DYFQYBOPSA-N 384.560 5.197 50 1 GKGF CCCCCCCCCC=CC#CCCC[C@@]1(OC)CC[C@H](CC(=O)O)OO1 2356648379 YLKDYIIQSISYAD-GGAORHGYSA-N 394.552 5.785 50 1 GKGF CCCC=CC=CC=CCCCCCCC[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 2356851918 QLDADEYHEQOCKZ-QTJGBDASSA-N 390.564 6.371 50 1 GKGF CC(=O)Oc1ccc(/C=C(C#N)/C(C#N)=C/c2ccc3c(c2)CCC(C)(C)O3)cc1 238744359 IARHGSIQGUMKPE-QRCIITMISA-N 398.462 5.230 50 1 GKGF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587118632 SFPHFLTXCJDIHX-UHFFFAOYSA-N 392.275 5.640 50 1 GKGF C[C@@H](Cl)C(=O)Nc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500126 YMNPIFPHNKLXHN-QKFKETGDSA-N 397.902 5.012 50 1 GKGF O=C(Oc1cccc(/C=C2\Cc3ccccc3C2=O)c1)c1ccc(CCl)cc1 1857641000 SCTAARUZHFEKML-UDWIEESQSA-N 388.850 5.467 50 1 GKGF CCC=CC[C@@H](C=CC=CCC=CC=C[C@H](CC=CCCC(=O)O)OO)OO 2356761178 NQUUEKCCEOGKDL-LEWJYISDSA-N 392.492 5.485 50 1 GKGF CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NNC(=O)c1ccncc1 96940225 MFXIWKASSCTMDP-PDBXOOCHSA-N 397.563 5.432 50 1 GKGF N#CSc1c(-c2ccccc2)nc2sc(Cc3ccc(Cl)cc3)nn12 299831425 PSNUNDMUBLENQA-UHFFFAOYSA-N 382.901 5.275 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2cccs2)N1 587849163 RBYNNDXRUYOXBD-MGPLVRAMSA-N 388.733 5.056 50 1 GKGF C[C@@](Cl)(C=CBr)[C@@H](Cl)C=CC(=CCl)C(Cl)Cl 2356588483 WSTOEGOKMOGOKF-WCBMZHEXSA-N 387.359 5.983 50 1 GKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@H]1[C@@H](C)C=C(C)CO 2356705987 MQYNZOSOJSWUMT-NTLWEQJWSA-N 386.649 5.272 50 1 GKGF C=C[C@@H]1C[C@@]1(C)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8020272 XYKKFBONWPZVCQ-IEZKXTBUSA-N 387.463 5.459 50 1 GKGF Cc1cccc([C@@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500938 VQPXXWOCGYYFQE-NYHFZMIOSA-N 399.328 5.518 50 1 GKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CCl)c2c1 587639359 SWBFTEXCNMCLSG-GFCCVEGCSA-N 376.725 6.850 50 1 GKGF C=C(CC[C@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCCCC2)OO1 43352426 JBOHIZHSWZQRBQ-ZEQRLZLVSA-N 394.511 5.731 50 1 GKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586974065 PZWKXTZLBLGSJJ-SNVBAGLBSA-N 399.210 5.508 50 1 GKGF Cc1ccc2c3c(c(C4CC4)c(CBr)nc13)-c1ccccc1C2=O 586992533 CRVUYPXISHVXRL-UHFFFAOYSA-N 378.269 5.527 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=C[C@]12O[C@]1(C)C[C@H](O)CC2(C)C 2356386974 CAXVJDRXJFKYQP-QLBJFCOMSA-N 382.544 5.401 50 1 GKGF CC=C(C)C(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13CC[C@@H]1[C@](C)(OO)CCC[C@]1(C)[C@H]3CC2 2356469916 GXCUIVKBCLAWCS-NTGOFWJRSA-N 388.548 5.685 50 1 GKGF C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@@]23OO4 101268911 AWWQKXVEUVMHGL-WPOGFBIBSA-N 392.923 5.279 50 1 GKGF CCCCCC[C@]1(CBr)CC(=O)c2ccc(O)c(CCC)c2O1 587455529 CNSSRNMBTJOTME-LJQANCHMSA-N 383.326 5.414 50 1 GKGF COc1ccc(Cl)cc1C#CCc1ccc2cc(CBr)ccc2c1 587899059 YKVOOSYIFOTPSX-UHFFFAOYSA-N 399.715 5.991 50 1 GKGF CC/C=C/[C@H](CC)C/C(=C/[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)CC 44405677 PAXJPQSBALSCDZ-AYQBRGMOSA-N 380.569 6.164 50 1 GKGF CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]12 85598588 TXEVVAPERSDMTN-YZKHETKUSA-N 384.560 5.053 50 1 GKGF CCCCC[C@@H](/C=C/C=C/CCCCCCCC(=O)OC)OOC(C)(C)C 102182823 GUWYTNFTPALBOJ-DJTMDVSLSA-N 382.585 6.698 50 1 GKGF O=N[C@@H](Cl)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500215 YUNITLBOOHSUSM-WOJBJXKFSA-N 390.266 5.411 50 1 GKGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(CCCCl)c1ccc(F)c(F)c1 963087503 CSVYMQIULHVVMW-UTKZUKDTSA-N 379.853 5.387 50 1 GKGF C[C@@H](C=CC=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356586881 QZKKZSSKSNFSOQ-PPRGJWHCSA-N 398.631 6.178 50 1 GKGF O=C1c2ccccc2-c2cc([C@H](Cl)C(=O)Nc3ccccc3)nc3cccc1c23 587102093 PTELIJORRKYKHY-QFIPXVFZSA-N 398.849 5.365 50 1 GKGF O=c1cc(-c2ccc(Cl)cc2)oc2cc(OCCCBr)ccc12 66098167 ABHXTYWLTUCOMN-UHFFFAOYSA-N 393.664 5.277 50 1 GKGF CCC=CCC=CC[C@@H](C=CC=CC=C[C@H](CC=CCCC(=O)O)OO)OO 2356340316 LWOCSKALTQGXLZ-LEWJYISDSA-N 392.492 5.485 50 1 GKGF Cc1ccc(C2OOC(c3ccc(/C=N/Cc4ccccc4)cc3)OO2)cc1 72173290 PDLFZKLGPHFHNN-LFVJCYFKSA-N 375.424 5.222 50 1 GKGF CC(=O)SS[C@]1(Cl)C(C)(C)[C@@](Cl)(SSC(C)=O)C1(C)C 102956411 JHUZEBDVAAMKGA-TXEJJXNPSA-N 393.448 5.778 50 1 GKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C=C3CCC3)nc2c1 587965123 NYPXXTOWBCDINN-UHFFFAOYSA-N 389.187 6.550 50 1 GKGF COc1ccc(N(C)c2cc(C)nc3ccccc23)cc1NC(=O)CCCCl 1857632277 GSMNAHFODRRQAF-UHFFFAOYSA-N 397.906 5.277 50 1 GKGF CCCCC[C@H](C=CC=CCCCCCCCC(=O)OC)O[Si](C)(C)C 2356604678 CKJJXCPHFROKCV-OAQYLSRUSA-N 382.661 6.803 50 1 GKGF O=C1C[C@@](CCCCl)(c2ccc(Cl)s2)Oc2c1ccc1c2CCCC1 587531802 MJBYHFNJVBEWAQ-FQEVSTJZSA-N 395.351 6.160 50 1 GKGF CC1=C(CC/C(C)=C/CC[C@]2(C)CC[C@@H]([C@@H](C)C(=O)O)OO2)C(C)(C)CCC1 43079184 ZJKZMXQQSDVDLA-UPMXIVTESA-N 392.580 6.610 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587017766 YXQKNDMSMQBDTQ-LBPRGKRZSA-N 397.394 6.195 50 1 GKGF C[C@@]1(c2ccc(N=C=S)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611953 HWFVXURHBYNOHH-KNQAVFIVSA-N 389.432 5.004 50 1 GKGF COc1ccc(C[S@@](=O)CC=CSSCc2ccc(F)cc2)cc1 1857623320 DLONVWQFLJKGHU-DEOSSOPVSA-N 382.547 5.178 50 1 GKGF CC1=C(/C=C/C2=CC=C(C=O)[C@@H](c3ccc(N(C)C)cc3)C2)C(C)(C)CCC1 40973872 YDHXFBSQODWRFP-AVRDVDJQSA-N 375.556 6.374 50 1 GKGF C[C@@H](c1ccccc1)N(Cc1ccccc1)C1=NC[C@H](CBr)S1 82052533 UYIKHUDEUBDELO-YJBOKZPZSA-N 389.362 5.116 50 1 GKGF C[C@H](CC/C=C/CC/C=C/c1ccccc1)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 136033757 PSBVOOFDCUCSOT-PKIZDGOASA-N 398.543 6.027 50 1 GKGF CC1(C)C[C@H](Cl)CN(CCCCCCN2C[C@H](Cl)CC(C)(C)C2)C1 299871239 YDSIZAKQCIUCEF-HDICACEKSA-N 377.444 5.225 50 1 GKGF FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587087076 ASISGKNYFFVKJN-QMMMGPOBSA-N 389.340 5.970 50 1 GKGF O=C1C[C@](CCl)(Cc2ccccc2Cl)Oc2c1ccc1c2CCCC1 587498797 OPGWHPVHLNZMGB-NRFANRHFSA-N 375.295 5.404 50 1 GKGF CC(C)(C)OC(=O)/C=C/[C@@H](CCCCl)Sc1ccc(C(C)(C)C)cc1 169431560 WDAPRWCGZGODPV-TUQDCPSNSA-N 382.997 6.362 50 3 GKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc3nc(CCl)oc23)N1 962954406 RCOJIPLFINCDKX-MCMMXHMISA-N 379.891 5.236 50 1 GKGF CC1=CC[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(Br)[C@@H](Cl)C2 136912554 SRHPJMQFHHBZNT-DHMWGJHJSA-N 398.610 6.057 50 1 GKGF C[C@@H](Cl)[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507785 STDVJGOYEJOPON-XUSGNXJCSA-N 376.830 5.332 50 1 GKGF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H]1C[C@]3(CC[C@H]([C@@H](C)C(=O)OC)OO3)CC[C@@]21C 2356331392 ZQSPCLSXMHXWQA-VXKYFNEPSA-N 390.564 5.608 50 1 GKGF CCCOc1ccc([C@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc1OC 103523694 XJBUMRFMEYDGHX-NRFANRHFSA-N 380.488 5.452 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@H](Cl)N=O)CC2=O 587460634 VFTYPXMWJZFSJS-MOPGFXCFSA-N 394.254 5.190 50 1 GKGF C/C(=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc(-n2cccc2)cc1 103224064 GAYXQKXKAJXCIL-LHLOQNFPSA-N 396.494 5.039 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(CCl)cc1)O2 587377772 ZAONSSJDEDTJID-HSZRJFAPSA-N 377.871 5.225 50 1 GKGF Oc1ccc2c(c1)[C@](CCCCCCCl)(c1ccc(Cl)nc1)NCC2 963353536 SDFYZESBQNQKOP-FQEVSTJZSA-N 379.331 5.019 50 1 GKGF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(CCCC[C@]5(C)C3=CC[C@]12C)OO4 2356753916 PHIXKPKYKLOBJF-OYQPYXMMSA-N 396.615 7.177 50 1 GKGF C=C[C@]1(C)CC[C@H](O)[C@](C)(CC[C@H]2C(C)=CC[C@H](Br)C2(C)C)O1 2356796099 MUTPABRFEJFFKI-CAVMOMJPSA-N 385.386 5.397 50 1 GKGF C#CC=CCC(Br)=C1C[C@@H]2C[C@H](CC)[C@@H](Br)C[C@@H]2O1 2356850547 PQYMHWIWKZHKFO-JURCDPSOSA-N 388.143 5.161 50 1 GKGF Cc1ccc(N[C@H](c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1 73292254 PPVZOFNPKLWGOX-SANMLTNESA-N 397.458 6.120 50 1 GKGF C[C@]1([C@@H](Cl)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545297 QOJNLRGKAABFSZ-COPCDDAFSA-N 380.827 5.093 50 1 GKGF CC(C)(C)OC(=O)C[C@H](O)[C@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C 2356706061 QJLFGMZXUIFXIZ-OALUTQOASA-N 394.628 5.102 50 1 GKGF CCCc1c(O)ccc2c1O[C@@]1(CCCCCCCCCC[C@H]1Cl)CC2=O 587463347 XLOUXNRCLIOSHX-GGAORHGYSA-N 392.967 6.571 50 1 GKGF COCc1c(N=C=S)[nH]cc2nc3ccc(OCc4ccccc4)cc3c1-2 100806158 KJUPZRXGDNYFQT-UHFFFAOYSA-N 375.453 5.127 50 1 GKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cccc(F)c3)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103195916 HFCRVGUARIPURB-TXRQHSEUSA-N 390.495 5.010 50 1 GKGF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587267042 DMNHTIFEQBQGRJ-MRVPVSSYSA-N 397.329 5.243 50 1 GKGF C1CCCC2(CC1)OOC1(CCCCCC1)OOC1(CCCCCC1)OO2 49867791 SKKDVSBKNRNFLN-UHFFFAOYSA-N 384.513 5.996 50 1 GKGF CCO/C=N/C1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O1 103200352 JRJRNQAISDPOLE-JMJNUIHMSA-N 389.842 5.212 50 1 GKGF C=C[C@](C)(O)CC[C@@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]21C 140400200 ZOMPGFXUEOKUFB-LZHQGQFHSA-N 387.402 5.071 50 1 GKGF N#Cc1ccc2c(C(=O)c3ccc(-c4ccc(C(=O)Cl)cc4)cc3)coc2c1 587279255 QEKPUHKCNQZBNH-UHFFFAOYSA-N 385.806 5.581 50 1 GKGF COc1cc2c3c(c1)O[C@@](CCCCl)(c1ccc(Cl)s1)[C@@H](C2)C3=O 587450409 KHJGERZVJRNBLG-KPZWWZAWSA-N 383.296 5.072 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1cc(C)c(C)cc1C)([C@@H](C)Cl)CC2=O 587459179 NACYMMAVQJWEPX-MWTRTKDXSA-N 386.919 5.758 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(F)c(Cl)c1)CC2=O 587467419 RPOJKMBRLUPZGR-LJQANCHMSA-N 383.246 5.237 50 1 GKGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)c2ncccc12 587897981 CNZXUJAPZSHAQW-UHFFFAOYSA-N 386.676 5.192 50 1 GKGF Cc1ccc(C(=O)N/N=C(/N=N/c2cccc(C)c2)c2ccc(N(C)C)cc2)cc1 5582833 HYBJXCXREQRZMF-QBRFHGNMSA-N 399.498 5.245 50 1 GKGF CC(C)C(=O)Nc1ccccc1SSc1ccccc1NC(=O)C(C)C 13813282 OFHBVALSWFOTAY-UHFFFAOYSA-N 388.558 5.675 50 1 GKGF CC[C@@H](c1ccc(O)cc1)[C@H](CCOCCOCCCl)c1ccc(O)cc1 29398166 LDIXMJIPFXONFJ-FCHUYYIVSA-N 392.923 5.037 50 1 GKGF CC(=O)Oc1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 103867979 LDRPKVCCFAYGJB-YADARESESA-N 398.462 5.337 50 1 GKGF C[C@H](Cl)C(=O)Nc1c(-c2cc3c4c(cccc4n2)CC3)oc2ccccc12 587209750 VYRGUUHTNDSUNP-LBPRGKRZSA-N 376.843 5.312 50 1 GKGF COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCl)cc1 587621434 FPTHHCCLSJFNRL-UHFFFAOYSA-N 390.668 5.221 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=CC(=O)[C@]1(C)C[C@@H](O)CC1(C)C 2356695583 MWEPRWWNHJVNMU-DHLKQENFSA-N 382.544 5.449 50 1 GKGF CC(=O)O[C@@H](C=C(C)C)C/C(C)=C1\CC[C@](C)(Br)[C@@H](Cl)C1 40957733 OSZNJZCBXHOYRJ-HQZLNYTOSA-N 377.750 5.536 50 1 GKGF C[C@@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(CSc1ccc(Cl)cc1)c1ccccc1 102222312 BIEDNDKWYIQBRJ-RCOXNQKVSA-N 390.932 5.209 50 1 GKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@](C)(CCl)CC3)c1 587356937 CKBYWMCYFFUYAN-QHCPKHFHSA-N 377.871 6.099 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Cl)c2ccccc2)N1 587689227 QZYGQRBJWNFQIO-HWOJHCLVSA-N 382.704 5.318 50 1 GKGF CC1=C(CC/C(C)=C/CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)O)OO2)C(C)(C)CCC1 73258467 ZJKZMXQQSDVDLA-RMXXGELBSA-N 392.580 6.610 50 1 GKGF C/C(=N\NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(-n2c(C)ccc2C)cc1 103238029 GKBWRNCKLQQOPO-LHLOQNFPSA-N 396.494 5.039 50 1 GKGF CC(C)CC(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@@H]21)[C@@H](C)[C@@]45C 2356359795 STLBXYOSWNQTAD-AQDPHTMNSA-N 398.587 5.927 50 1 GKGF C[C@@]1(O)CC[C@@H]2C[C@@H]1OO[C@]2(CSc1ccc(Cl)cc1)c1ccccc1 101403799 BIEDNDKWYIQBRJ-UMSONDCASA-N 390.932 5.209 50 1 GKGF C=CC[C@H]1[C@H](O)[C@]2(O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]1C[C@H]2C(=O)OC 195517770 YIBLHUPWAMRDEZ-KOVVAJLHSA-N 396.644 5.073 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCCC3)CC2=O 587460508 NIRYMVVLLKQKSE-QHCPKHFHSA-N 384.903 5.323 50 1 GKGF Cc1[nH]c2ccccc2c1[C@@]1([C@@H](C)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587500282 ZUVHVLFODZOGTE-MYYSRTQBSA-N 393.914 5.843 50 1 GKGF N#Cc1c(CCl)c([C@H]2NCCc3cccc(-c4ccccc4)c32)n2ccccc12 962673266 WKSJJIWQIOANPB-DEOSSOPVSA-N 397.909 5.452 50 1 GKGF CSc1nc(Nc2ccccc2)c2ccn(C[C@@H](Cl)c3ccccc3)c2n1 1772578210 FJQQPDTVQFJFJW-GOSISDBHSA-N 394.931 5.877 50 1 GKGF C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NNC(=O)c3ccncc3)CC[C@@H]12 2356744521 NWHPXJRIVOPQQQ-NZJLJWDESA-N 393.575 5.600 50 1 GKGF Cc1ccc(NCc2ccc(C3OOC(c4ccc(C)cc4)OO3)cc2)cc1 72174775 UIJVXLHBYLJXJC-UHFFFAOYSA-N 377.440 5.523 50 1 GKGF CCC/C=C\C=C\CCCCCCCC[C@@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 200135000 GMLLVOJRMHMDIV-SXCRNCDRSA-N 378.553 6.205 50 1 GKGF O=C1C[C@@]2(C[C@H](Br)c3ccccc32)Oc2c1ccc1c2CCCC1 587500831 YHWRIHOSWXJJTG-GHTZIAJQSA-N 383.285 5.266 50 1 GKGF Fc1cccc2c1[C@@H](c1ccccc1S(F)(F)(F)(F)F)N1CCC[C@@H]1C2 963101840 MESNUNXSMZNSJE-FZKQIMNGSA-N 393.396 6.593 50 1 GKGF C=C1[C@H](O)C[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC=C(C=O)CC(OCC)OCC 2356518692 YDTXZIZBGGRDRX-FBHSLPMESA-N 392.580 5.061 50 1 GKGF O=C1c2ccccc2N(c2ccccc2)[C@H]2SS/C(=N\c3ccccc3)[C@@H]12 1911580750 WCIMRZSTWJQEHR-HZKLDXIHSA-N 388.517 6.089 50 1 GKGF CCCCCCCCCCCCCCCC1(OC(C)=O)CC(=O)OC(=O)C1 43946709 RDVKPZBFRGPGEM-UHFFFAOYSA-N 382.541 5.633 50 1 GKGF CCCc1c(O)ccc2c1O[C@](CCCCl)(c1ccc(OC)cc1)CC2=O 587462395 YXHGITUBPGQXPG-QFIPXVFZSA-N 388.891 5.233 50 1 GKGF CC(C)=CCC[C@](C)(O)C=CC=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Br)C1 2356659573 JNQVRZLAPNDWBX-FYQPLNBISA-N 385.386 5.301 50 1 GKGF Cc1ccc2nc(NC(=O)NN=C(c3ccccc3)c3ccccc3)sc2c1 28823200 IQOKSDLFDQGARM-UHFFFAOYSA-N 386.480 5.179 50 1 GKGF CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@]2(CSc1ccccc1)c1ccccc1 253680013 WURFGWKURSAVKR-MLDBQTBOSA-N 398.524 5.127 50 1 GKGF CC(C)[C@@H]1CC[C@H]2[C@@H](CC[C@H]3[C@](C)(C(=O)OC[C@H](O)CCl)CCC[C@]23C)C1 299838706 QVGFCGABFLCYBJ-SCJOEBMRSA-N 399.015 5.424 50 1 GKGF O=C1C[C@@](CCl)(c2ccc3c(c2)CCCC3)Oc2c1ccc1c2CCCC1 587498883 QCGQZNMBYRWBPZ-XMMPIXPASA-N 380.915 5.544 50 1 GKGF Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587689213 QXELYFTWFCTDKJ-BFUOFWGJSA-N 396.731 5.222 50 1 GKGF O=C(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCc1ccccc1 587781073 DIUVQLPNRBQILH-UHFFFAOYSA-N 392.349 5.506 50 1 GKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2nc3ccccc3s2)N1 962951922 JIRSREGYOZZKER-LRTDBIEQSA-N 381.932 5.184 50 1 GKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(C2)c2c(F)cccc2C[C@@H]2CCCN21 963117303 YUOPCNHUQCKDLE-DTXWBZGDSA-N 392.356 5.263 50 1 GKGF Cc1nc(C(C#N)=Cc2ccc(O)cc2)sc1N=Nc1ccc(Cl)cc1 2356849100 PSVJHAXBQKFCRK-UHFFFAOYSA-N 380.860 6.290 50 1 GKGF Cc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541649 COLQLNUITSDDTC-RSDPBLMXSA-N 394.854 5.185 50 1 GKGF CC(C)c1ccc([C@]2(CCCCl)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963100564 BPSCZLZDKHJDCD-XUZZJYLKSA-N 385.954 6.232 50 1 GKGF CC1(C)CCC[C@]2(C)[C@@H]3CC(=O)[C@@]4(C)[C@@H](CC=C(C=O)[C@H]4C=O)[C@]3(C)CC[C@H]12 14508392 KWZUECIPBRPVAL-SBEHTTFISA-N 384.560 5.175 50 1 GKGF C/C(=N/NC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl)c1ccc(C)cc1 103172802 IHAXEPDDKRDSAG-HTGCFNNUSA-N 399.705 5.263 50 1 GKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Cl)c2ccccc2)N1 587689778 WDBFBHJOKDWZSR-AFBMGJRZSA-N 382.704 5.318 50 1 GKGF O=C(O)c1cccc2c1CCN[C@H]2c1ccc(S(F)(F)(F)(F)F)cc1 963130582 KGCPKMCWWQZTIO-HNNXBMFYSA-N 379.350 5.277 50 1 GKGF C[C@@H](SCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586962556 GBIAMSVIAAKSIA-LLVKDONJSA-N 394.434 7.215 50 1 GKGF CCCc1c(O)ccc2c1O[C@](C1CC1)([C@@H](Cl)c1ccccc1F)CC2=O 587466654 NDFNKHGNOXFQST-FCHUYYIVSA-N 388.866 5.578 50 1 GKGF Cc1ccccc1[C@@]1(CCCCCCl)NC[C@H]2CC(=O)N(C)c3cccc1c32 963017676 CFKNCEZQIZAGIQ-HOYKHHGWSA-N 396.962 5.091 50 1 GKGF O=C1C[C@@]2(C[C@@H](Br)c3ccccc32)Oc2c1ccc1c2CCCC1 587500837 YHWRIHOSWXJJTG-WIYYLYMNSA-N 383.285 5.266 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccccc2)N1 587686434 VHTZHWDJMTYVNV-BFUOFWGJSA-N 396.731 5.385 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)([C@@H](C)Cl)N1 587689833 WUPGETWLNBKBIW-VPZZIHKRSA-N 396.731 5.188 50 1 GKGF C=C[C@@]1(C)C[C@H](C=C(C)CCC=C(C)C=O)Oc2oc3cccc(C)c3c(=O)c21 2356431186 GBIHCVINTFQKQS-DFBJGRDBSA-N 392.495 5.568 50 1 GKGF C/C(C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@]1(C)C[C@H](O)CC2(C)C 257392789 CAXVJDRXJFKYQP-URGNBEGNSA-N 382.544 5.401 50 1 GKGF endogenous,in-man CC(C)CC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327735 RDRWZRRBMQMOJN-PZJWPPBQSA-N 376.855 5.304 50 1 GKGF O=C1C[C@@](CBr)(CCC2CCCC2)Oc2c1ccc1c2CCCC1 587498471 HNKJJNXSPPOQLX-OAQYLSRUSA-N 391.349 5.635 50 1 GKGF Cc1ccc(C)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587689413 SFEMOWLRMAQCTC-YJYMSZOUSA-N 396.731 5.222 50 1 GKGF FS(F)(F)(F)(F)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 587039993 JEXWIKIACFZNDT-UHFFFAOYSA-N 380.367 5.520 50 1 GKGF CC(C)[C@H](Br)CCC1=CCC(Br)(Br)C1 73314518 GYJJSILBKLZXCB-SNVBAGLBSA-N 388.969 5.392 50 1 GKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccccc2)N1 587686400 UWNTVQJQGSOUSE-ORAYPTAESA-N 396.731 5.385 50 1 GKGF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587159993 AWPDALXAYFNHKK-UHFFFAOYSA-N 383.273 5.935 50 1 GKGF CCOC(=O)[C@@H](Cl)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C 587626823 XIXMSIFQYFQLOS-NSHDSACASA-N 387.707 5.357 50 1 GKGF CCCCCCCCCC=CC#CCCC[C@]1(OC)CC[C@H](CC(=O)O)OO1 2356648378 YLKDYIIQSISYAD-FYYLOGMGSA-N 394.552 5.785 50 1 GKGF CC(=CC(Cl)Cl)[C@@H](Br)C=C[C@@](C)(Cl)CBr 2356754012 XYWJXYNATGBZQB-WCBMZHEXSA-N 399.381 5.449 50 1 GKGF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1F)([C@H](C)Cl)CC2=O 587466972 OKHLTPOXHXBLLJ-YBTHPKLGSA-N 380.818 5.111 50 1 GKGF O=C1C[C@H](c2ccc(F)c(CBr)c2)Oc2c1ccc1c2CCCC1 587503486 HCVLIBUFWDWUPF-LJQANCHMSA-N 389.264 5.306 50 1 GKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(CCCCl)CCCCl 587541655 COSQKLQUYFFJQG-KRWDZBQOSA-N 395.282 5.131 50 1 GKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N=C=S)cc2)N1 587843585 IQZFXBCMZVZAPY-VOJFVSQTSA-N 391.309 5.120 50 1 GKGF CCCNc1nc(SC)nc2c1cnn2C[C@H](Cl)c1ccc(Cl)cc1 40913994 PQGAFDPCIGTESN-AWEZNQCLSA-N 396.347 5.004 50 1 GKGF FC(F)(F)c1ccc([C@@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)nc1 963102396 CXBILBPBDBXYCI-HNNXBMFYSA-N 395.639 5.035 50 1 GKGF C=CCCCCCCC/C=C/C#CCCC[C@]1(OC)CC[C@@H](CC(=O)O)OO1 85772479 CNFIAJKVMUSRIA-OQMUJVAMSA-N 392.536 5.561 50 1 GKGF Cc1nc(N(C)C)ncc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587195170 RYLJKBVMDBRARK-UHFFFAOYSA-N 379.358 5.052 50 1 GKGF CCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587684517 KQWKOBZHLRKHCV-HXPMCKFVSA-N 396.731 5.167 50 1 GKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N=C=S)cc2)N1 587843576 IQZFXBCMZVZAPY-ADLMAVQZSA-N 391.309 5.120 50 1 GKGF CCC=C[C@H](CC)C[C@H](CC)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 2356742660 QAMYVKULCKIRQZ-DDTUGOMQSA-N 382.585 6.244 50 1 GKGF CC[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(CCCC[C@]5(C)C3=CC[C@]12C)OO4 49881710 CZLIBAKQDCPVLQ-JNCHQSGYSA-N 396.615 7.177 50 1 GKGF Cc1cc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1CCl 587498128 MAFBCMCUCPQSQH-XMMPIXPASA-N 382.931 6.110 50 1 GKGF C=C[C@]1(C)C[C@H](/C=C(\C)CC/C=C(\C)C=O)Oc2oc3cccc(C)c3c(=O)c21 238730855 GBIHCVINTFQKQS-ZZPPWLRRSA-N 392.495 5.568 50 1 GKGF Cc1ccc([C@@]2(CCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587686102 SOPRUJGUFPDONL-ORAYPTAESA-N 396.731 5.303 50 1 GKGF COc1cc2c3c(c1)O[C@@]1(CCCCCCCCCC[C@H]1Cl)[C@@H](C2)C3=O 587423403 XXLSMDTUAIXPJG-KPLVRAHFSA-N 376.924 5.703 50 1 GKGF CC[C@@H](Oc1ccc(C#Cc2cc(Cl)ccc2OC)cc1Cl)C(=O)Cl 587902296 QAMIMCQJBLUREM-MRXNPFEDSA-N 397.685 5.325 50 1 GKGF CCN(CCCl)CCCCCNc1c2ccccc2nc2ccc(OC)cc12 5807689 KWUNBVYUMOKZAY-UHFFFAOYSA-N 399.966 5.540 50 1 GKGF O=C1C[C@@H](c2cc(CBr)ccc2F)Oc2c1ccc1c2CCCC1 587509590 ZYHMOUAOLQCCGC-IBGZPJMESA-N 389.264 5.306 50 1 GKGF N#CSC[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587530595 CPRZZFHBEZBBLF-OAQYLSRUSA-N 383.900 5.294 50 1 GKGF O=C(Cl)c1ccc(-c2ccc(C(=O)c3coc4ccc(Cl)cc34)cc2)cc1 587279238 ZKQVXFDJOCRKAZ-UHFFFAOYSA-N 395.241 6.363 50 1 GKGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(C(C)C)cc1C(C)C)[C@@H](C2)C3=O 587417012 IFKAJWZJXXWREP-GBXCKJPGSA-N 398.930 5.824 50 1 GKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C1CC1 587497227 HTFDMKIKWDYVRW-QHCPKHFHSA-N 383.919 5.418 50 1 GKGF N#CSC[C@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587533103 QVBKSNBIQYKKHM-VWLOTQADSA-N 399.515 5.794 50 1 GKGF CCOC(=O)[C@H](Cl)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C 587626820 XIXMSIFQYFQLOS-LLVKDONJSA-N 387.707 5.357 50 1 GKGF CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3cc(F)ccc3F)cs2)c1C 587921605 KEAGABDJOJJKIF-CXUHLZMHSA-N 383.467 5.981 50 1 GKGF O=C(Oc1cc(Cl)ccc1Cl)c1cc2cc(CCl)ccc2oc1=O 13676436 OZKMBTRSTVYGMK-UHFFFAOYSA-N 383.614 5.058 50 1 GKGF CC(C)c1cc2c(cc1OC(=O)[C@H](C)Cl)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 35244520 NHFWIICFQTWAJO-RWAHWCJQSA-N 376.968 6.373 50 1 GKGF Cc1cc(/C=C/C#N)cc(C(C)C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1 40602023 MTPFIDZFRGWYBS-SNAWJCMRSA-N 394.482 5.804 50 1 GKGF C[C@@]1(/C=C/Cl)C[C@@](Cl)(CBr)[C@H](Br)C[C@@H]1Cl 85855447 MMMYYEWTEBVZHZ-DRVDZGSVSA-N 399.381 5.282 50 1 GKGF biogenic,in-vitro C=C1CC[C@H]2[C@@H](C1)CC(=C)[C@@H](CC[C@@]1(C)CC[C@H]([C@@H](C)C(=O)O)OO1)C2(C)C 140453138 PIQWYJBYGQBLRX-LMLKTBBYSA-N 390.564 5.931 50 1 GKGF O=C(O)c1ccccc1/C=C\c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586880358 PRTFICQSNMCBHL-YVMONPNESA-N 390.333 6.089 50 1 GKGF Nc1ccc2oc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2c1 587252526 YQWOGBZINZTMJQ-UHFFFAOYSA-N 375.322 6.216 50 1 GKGF CC[C@H](C)c1ccc2[nH]c(CCl)c(-c3ccc(Br)cc3)c2c1 587638216 CYGCCTDMIYZIFZ-LBPRGKRZSA-N 376.725 6.850 50 1 GKGF Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587689214 QXELYFTWFCTDKJ-DJJJIMSYSA-N 396.731 5.222 50 1 GKGF CN(C)c1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=CC=C2C=O)cc1 40976267 DHWSQZXKDOOHAA-MHZLTWQESA-N 379.503 6.116 50 1 GKGF CCCCC/C=C/C=C/[C@H](CCCCCCCC(=O)OC)O[Si](C)(C)C 231204858 BOHZEIJAHJPBDP-DCCMYRJFSA-N 382.661 6.803 50 1 GKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(Br)cc2[nH]1 586972927 CUJGQXSUHOLGBS-JTQLQIEISA-N 394.110 5.372 50 1 GKGF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@@H](Cl)CCCCCCCCC[C@@H]1Cl 587382316 OTVMMOBLNMWGTC-OALUTQOASA-N 398.374 6.021 50 1 GKGF Cc1cc(Cl)cc2c(NC(=O)CBr)c(-c3ccccc3)[nH]c12 587624196 ZSEZHUAGQCBJOU-UHFFFAOYSA-N 377.669 5.130 50 1 GKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=C[C@@H]1C(C)(C)C[C@@H](O)C[C@@]1(C)O 2356284436 ARDVFBZKQUUHJT-VDKIKQQVSA-N 384.560 5.241 50 1 GKGF CCCCCCCCCCCCCCC[C@@]1(OC)C=C[C@H](CC(=O)OC)OO1 44431056 QGHQAQFTOWPVIA-GGAORHGYSA-N 398.584 6.260 50 1 GKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)c1ccc2c(c1)cc(O)n2C 963221628 ALTCBFARRIMERK-MWTRTKDXSA-N 382.935 5.023 50 1 GKGF CC(C)(C)C(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)Nc1ccc(Cl)cc1 95553240 YWJFQACPHPXPPZ-XYPKPTLHSA-N 399.878 5.306 50 1 GKGF CC1(C)C[C@H](Cl)CN(CCCCCCN2C[C@@H](Cl)CC(C)(C)C2)C1 299871241 YDSIZAKQCIUCEF-ROUUACIJSA-N 377.444 5.225 50 1 GKGF Cc1ccc2c3c(cc(-c4ccc(N=C=S)cc4)nc13)-c1ccccc1C2=O 587102362 OJKMRQNWNAWSJA-UHFFFAOYSA-N 378.456 6.156 50 1 GKGF Cc1ccccc1[C@@]1(CCCCCCCl)c2c(F)cccc2C[C@@H]2CCCN21 963110349 MVDULOZDHNQEHG-OFVILXPXSA-N 399.981 6.588 50 1 GKGF N#CC(=CC1=C(Cl)C(=CC(C#N)C#N)CC1)c1nc2cc(Cl)ccc2o1 2356347767 YKWJYUGTNCLUSI-UHFFFAOYSA-N 381.222 5.265 50 1 GKGF CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)C[C@H]1Br 40466163 BVHHUVPYPHZAII-QGZVFWFLSA-N 393.284 5.413 50 1 GKGF C[C@H](Cl)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320435 AEFCZSLFLAXXDN-OAJKGFPOSA-N 396.845 5.413 50 1 GKGF COc1ccc([C@@]2(CCCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500274 ZUOSSHWPEMOKSP-HSZRJFAPSA-N 384.903 5.454 50 1 GKGF Cc1ccccc1[C@@]1(CCCCCCCl)c2c(F)cccc2C[C@H]2CCCN21 963110248 MVDULOZDHNQEHG-BWKNWUBXSA-N 399.981 6.588 50 1 GKGF COc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3ccc3ccccc43)cc2c1 1491579 ZQZDMDZWAZDAIM-INIZCTEOSA-N 390.870 5.313 50 1 GKGF C=C[C@](C)(O)CC[C@@]1(O)[C@@H](C)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]21C 238758030 RZGHGVYSEQLDBS-ZWDFGCBGSA-N 387.402 5.071 50 1 GKGF CCCc1c(O)ccc2c1O[C@@](CBr)(C1CCCCCC1)CC2=O 587456387 NYPSSMBQFMUHHE-FQEVSTJZSA-N 395.337 5.414 50 1 GKGF